Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
28596 | 3grx RC | 4225 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 3H ALA 1 -8.313 -10.448 7.751
2 2H ALA 1 1H ALA 1 -9.289 -10.817 6.463
3 3H ALA 1 2H ALA 1 -7.727 -11.330 6.495
4 HA ALA 1 HA ALA 1 -7.857 -9.541 5.012
5 1HB ALA 1 1HB ALA 1 -9.892 -8.497 5.949
6 2HB ALA 1 2HB ALA 1 -8.962 -7.947 7.363
7 3HB ALA 1 3HB ALA 1 -8.576 -7.324 5.742
8 H ASN 2 H ASN 2 -5.885 -8.599 4.724
9 HA ASN 2 HA ASN 2 -4.208 -7.696 6.976
10 1HB ASN 2 1HB ASN 2 -3.768 -10.088 6.720
11 2HB ASN 2 2HB ASN 2 -3.472 -9.908 4.998
12 1HD2 ASN 2 2HD2 ASN 2 -0.165 -8.542 5.364
13 2HD2 ASN 2 1HD2 ASN 2 -1.582 -8.549 4.358
14 H VAL 3 H VAL 3 -4.752 -5.690 6.002
15 HA VAL 3 HA VAL 3 -3.812 -5.072 3.284
16 HB VAL 3 HB VAL 3 -4.925 -3.331 5.531
17 1HG1 VAL 3 2HG1 VAL 3 -4.213 -2.648 2.646
18 2HG1 VAL 3 3HG1 VAL 3 -5.127 -1.580 3.749
19 3HG1 VAL 3 1HG1 VAL 3 -3.446 -1.993 4.091
20 1HG2 VAL 3 2HG2 VAL 3 -6.247 -4.277 2.958
21 2HG2 VAL 3 3HG2 VAL 3 -6.644 -4.827 4.597
22 3HG2 VAL 3 1HG2 VAL 3 -6.940 -3.151 4.138
23 H GLU 4 H GLU 4 -1.715 -4.583 2.895
24 HA GLU 4 HA GLU 4 -0.006 -3.431 5.045
25 1HB GLU 4 1HB GLU 4 0.534 -5.546 2.945
26 2HB GLU 4 2HB GLU 4 1.834 -4.487 3.489
27 1HG GLU 4 1HG GLU 4 1.586 -5.216 5.791
28 2HG GLU 4 2HG GLU 4 0.131 -6.144 5.395
29 H ILE 5 H ILE 5 1.281 -1.654 4.317
30 HA ILE 5 HA ILE 5 1.185 -0.977 1.480
31 HB ILE 5 HB ILE 5 -0.727 0.261 2.156
32 1HG1 ILE 5 1HG1 ILE 5 1.698 2.121 1.993
33 2HG1 ILE 5 2HG1 ILE 5 0.995 1.289 0.614
34 1HG2 ILE 5 2HG2 ILE 5 -0.093 0.362 4.671
35 2HG2 ILE 5 3HG2 ILE 5 0.850 1.788 4.231
36 3HG2 ILE 5 1HG2 ILE 5 -0.913 1.753 3.966
37 1HD1 ILE 5 1HD1 ILE 5 -0.390 3.391 2.312
38 2HD1 ILE 5 2HD1 ILE 5 0.388 3.651 0.750
39 3HD1 ILE 5 3HD1 ILE 5 -1.057 2.623 0.854
40 H TYR 6 H TYR 6 3.097 -0.521 0.840
41 HA TYR 6 HA TYR 6 5.321 0.138 2.657
42 1HB TYR 6 1HB TYR 6 4.991 -0.306 -0.327
43 2HB TYR 6 2HB TYR 6 6.459 0.369 0.388
44 HD1 TYR 6 HD1 TYR 6 7.833 -0.796 1.886
45 HD2 TYR 6 HD2 TYR 6 4.365 -2.712 0.243
46 HE1 TYR 6 HE1 TYR 6 8.777 -2.952 2.552
47 HE2 TYR 6 HE2 TYR 6 5.245 -4.908 0.925
48 HH TYR 6 HH TYR 6 8.585 -5.287 2.121
49 H THR 7 H THR 7 6.122 2.053 3.082
50 HA THR 7 HA THR 7 5.191 4.460 1.652
51 HB THR 7 HB THR 7 5.254 5.386 4.107
52 HG1 THR 7 HG1 THR 7 5.355 3.915 5.660
53 1HG2 THR 7 2HG2 THR 7 3.189 5.093 2.679
54 2HG2 THR 7 3HG2 THR 7 2.993 3.474 3.400
55 3HG2 THR 7 1HG2 THR 7 2.929 4.934 4.417
56 H LYS 8 H LYS 8 6.658 6.325 2.277
57 HA LYS 8 HA LYS 8 9.216 5.631 3.413
58 1HB LYS 8 1HB LYS 8 9.722 5.162 1.091
59 2HB LYS 8 2HB LYS 8 9.047 6.694 0.554
60 1HG LYS 8 1HG LYS 8 10.819 7.923 1.724
61 2HG LYS 8 2HG LYS 8 11.443 6.420 2.404
62 1HD LYS 8 1HD LYS 8 11.354 6.950 -0.586
63 2HD LYS 8 2HD LYS 8 12.728 7.365 0.449
64 1HE LYS 8 1HE LYS 8 12.895 4.992 1.203
65 2HE LYS 8 2HE LYS 8 11.560 4.575 0.122
66 1HZ LYS 8 2HZ LYS 8 12.969 5.301 -1.747
67 2HZ LYS 8 3HZ LYS 8 14.173 5.650 -0.742
68 3HZ LYS 8 1HZ LYS 8 13.694 4.084 -0.889
69 H GLU 9 H GLU 9 9.733 7.314 4.660
70 HA GLU 9 HA GLU 9 8.039 9.379 5.260
71 1HB GLU 9 1HB GLU 9 9.947 8.608 6.671
72 2HB GLU 9 2HB GLU 9 11.072 9.427 5.572
73 1HG GLU 9 1HG GLU 9 9.794 11.590 6.076
74 2HG GLU 9 2HG GLU 9 8.873 10.685 7.276
75 H THR 10 H THR 10 11.031 9.693 3.273
76 HA THR 10 HA THR 10 10.048 12.205 2.114
77 HB THR 10 HB THR 10 12.275 12.072 2.925
78 HG1 THR 10 HG1 THR 10 12.534 12.155 0.141
79 1HG2 THR 10 2HG2 THR 10 12.895 9.723 2.660
80 2HG2 THR 10 3HG2 THR 10 12.975 9.933 0.897
81 3HG2 THR 10 1HG2 THR 10 14.087 10.813 1.955
82 H CYS 11 H CYS 11 8.157 11.282 1.216
83 HA CYS 11 HA CYS 11 8.356 10.734 -1.513
84 1HB CYS 11 1HB CYS 11 8.954 8.442 -0.962
85 2HB CYS 11 2HB CYS 11 7.580 8.318 0.140
86 HA PRO 12 HA PRO 12 4.480 12.457 0.135
87 1HB PRO 12 1HB PRO 12 3.655 13.913 -1.964
88 2HB PRO 12 2HB PRO 12 4.961 14.459 -0.852
89 1HG PRO 12 1HG PRO 12 5.251 13.198 -3.584
90 2HG PRO 12 2HG PRO 12 6.161 14.573 -2.887
91 1HD PRO 12 1HD PRO 12 7.133 12.001 -2.926
92 2HD PRO 12 2HD PRO 12 7.534 13.158 -1.624
93 H TYR 13 H TYR 13 4.824 10.838 -3.031
94 HA TYR 13 HA TYR 13 2.124 10.192 -3.472
95 1HB TYR 13 1HB TYR 13 4.305 9.849 -4.912
96 2HB TYR 13 2HB TYR 13 4.432 8.311 -4.097
97 HD1 TYR 13 HD2 TYR 13 1.466 10.216 -5.522
98 HD2 TYR 13 HD1 TYR 13 4.006 6.747 -5.829
99 HE1 TYR 13 HE2 TYR 13 -0.095 9.229 -7.118
100 HE2 TYR 13 HE1 TYR 13 2.406 5.731 -7.452
101 HH TYR 13 HH TYR 13 -0.608 7.434 -8.414
102 H SER 14 H SER 14 4.468 8.769 -1.265
103 HA SER 14 HA SER 14 2.902 6.515 -0.382
104 1HB SER 14 1HB SER 14 4.944 6.125 0.361
105 2HB SER 14 2HB SER 14 5.474 7.752 0.124
106 HG SER 14 HG SER 14 5.469 8.054 2.151
107 H HIS 15 H HIS 15 3.350 9.844 0.897
108 HA HIS 15 HA HIS 15 1.456 9.312 3.002
109 1HB HIS 15 1HB HIS 15 2.373 12.030 1.980
110 2HB HIS 15 2HB HIS 15 1.513 11.723 3.490
111 HD1 HIS 15 HD1 HIS 15 2.960 9.827 5.227
112 HD2 HIS 15 HD2 HIS 15 4.991 12.053 2.217
113 HE1 HIS 15 HE1 HIS 15 5.425 9.747 5.781
114 HE2 HIS 15 HE2 HIS 15 6.651 11.146 3.950
115 H ARG 16 H ARG 16 1.000 10.623 -0.234
116 HA ARG 16 HA ARG 16 -1.686 11.461 -0.198
117 1HB ARG 16 1HB ARG 16 0.242 10.336 -2.154
118 2HB ARG 16 2HB ARG 16 -1.400 9.884 -2.513
119 1HG ARG 16 1HG ARG 16 -2.085 12.227 -2.568
120 2HG ARG 16 2HG ARG 16 -0.446 12.757 -2.131
121 1HD ARG 16 1HD ARG 16 0.460 12.115 -4.216
122 2HD ARG 16 2HD ARG 16 -0.830 10.951 -4.530
123 HE ARG 16 HE ARG 16 -2.353 12.656 -5.073
124 1HH1 ARG 16 2HH2 ARG 16 1.035 13.846 -5.086
125 2HH1 ARG 16 1HH2 ARG 16 0.587 15.327 -5.852
126 1HH2 ARG 16 2HH1 ARG 16 -2.831 14.578 -6.168
127 2HH2 ARG 16 1HH1 ARG 16 -1.617 15.757 -6.475
128 H ALA 17 H ALA 17 -0.509 8.068 -0.634
129 HA ALA 17 HA ALA 17 -3.078 6.920 -0.548
130 1HB ALA 17 2HB ALA 17 -0.986 5.752 -1.276
131 2HB ALA 17 3HB ALA 17 -0.472 5.706 0.419
132 3HB ALA 17 1HB ALA 17 -1.929 4.818 -0.093
133 H LYS 18 H LYS 18 -1.264 8.164 2.128
134 HA LYS 18 HA LYS 18 -2.824 6.609 4.057
135 1HB LYS 18 1HB LYS 18 -1.009 8.953 4.659
136 2HB LYS 18 2HB LYS 18 -1.599 7.735 5.776
137 1HG LYS 18 1HG LYS 18 0.476 7.553 3.643
138 2HG LYS 18 2HG LYS 18 0.561 7.035 5.322
139 1HD LYS 18 1HD LYS 18 -0.560 5.611 2.898
140 2HD LYS 18 2HD LYS 18 0.722 5.124 3.930
141 1HE LYS 18 1HE LYS 18 -2.213 4.724 4.248
142 2HE LYS 18 2HE LYS 18 -0.862 3.644 4.590
143 1HZ LYS 18 1HZ LYS 18 -0.445 5.064 6.581
144 2HZ LYS 18 2HZ LYS 18 -1.929 5.767 6.336
145 3HZ LYS 18 3HZ LYS 18 -1.807 4.182 6.628
146 H ALA 19 H ALA 19 -3.137 9.788 2.567
147 HA ALA 19 HA ALA 19 -5.266 10.631 4.372
148 1HB ALA 19 3HB ALA 19 -4.000 12.231 2.895
149 2HB ALA 19 1HB ALA 19 -4.673 11.411 1.462
150 3HB ALA 19 2HB ALA 19 -5.746 12.260 2.585
151 H LEU 20 H LEU 20 -5.030 8.661 1.453
152 HA LEU 20 HA LEU 20 -7.931 8.409 1.163
153 1HB LEU 20 1HB LEU 20 -6.456 7.922 -0.685
154 2HB LEU 20 2HB LEU 20 -5.655 6.624 0.197
155 HG LEU 20 HG LEU 20 -8.540 6.587 -0.814
156 1HD1 LEU 20 3HD1 LEU 20 -5.917 5.347 -1.754
157 2HD1 LEU 20 1HD1 LEU 20 -7.487 4.820 -2.342
158 3HD1 LEU 20 2HD1 LEU 20 -6.946 6.496 -2.623
159 1HD2 LEU 20 1HD2 LEU 20 -6.930 4.278 0.389
160 2HD2 LEU 20 2HD2 LEU 20 -8.439 4.941 1.050
161 3HD2 LEU 20 3HD2 LEU 20 -8.466 4.115 -0.476
162 H LEU 21 H LEU 21 -5.452 6.163 2.405
163 HA LEU 21 HA LEU 21 -7.296 4.246 3.315
164 1HB LEU 21 1HB LEU 21 -4.427 4.871 4.073
165 2HB LEU 21 2HB LEU 21 -5.292 3.513 4.782
166 HG LEU 21 HG LEU 21 -5.192 3.831 1.758
167 1HD1 LEU 21 3HD1 LEU 21 -3.095 2.436 3.432
168 2HD1 LEU 21 1HD1 LEU 21 -3.277 2.334 1.663
169 3HD1 LEU 21 2HD1 LEU 21 -2.874 3.883 2.397
170 1HD2 LEU 21 2HD2 LEU 21 -5.479 1.420 3.604
171 2HD2 LEU 21 3HD2 LEU 21 -6.759 2.168 2.612
172 3HD2 LEU 21 1HD2 LEU 21 -5.410 1.343 1.843
173 H SER 22 H SER 22 -6.101 7.171 4.998
174 HA SER 22 HA SER 22 -7.447 6.399 7.442
175 1HB SER 22 1HB SER 22 -5.493 8.047 7.311
176 2HB SER 22 2HB SER 22 -6.538 9.184 6.454
177 HG SER 22 HG SER 22 -7.318 8.134 8.953
178 H SER 23 H SER 23 -8.305 8.564 4.610
179 HA SER 23 HA SER 23 -10.759 9.431 5.602
180 1HB SER 23 1HB SER 23 -9.609 10.080 3.451
181 2HB SER 23 2HB SER 23 -10.235 8.595 2.719
182 HG SER 23 HG SER 23 -12.338 9.410 3.041
183 H LYS 24 H LYS 24 -9.977 6.362 3.978
184 HA LYS 24 HA LYS 24 -12.685 5.260 4.203
185 1HB LYS 24 1HB LYS 24 -10.008 4.316 3.125
186 2HB LYS 24 2HB LYS 24 -11.351 3.197 3.324
187 1HG LYS 24 1HG LYS 24 -11.319 3.883 1.069
188 2HG LYS 24 2HG LYS 24 -12.777 4.479 1.855
189 1HD LYS 24 1HD LYS 24 -11.768 6.759 1.932
190 2HD LYS 24 2HD LYS 24 -10.310 6.144 1.162
191 1HE LYS 24 1HE LYS 24 -11.937 7.412 -0.299
192 2HE LYS 24 2HE LYS 24 -11.354 5.852 -0.905
193 1HZ LYS 24 1HZ LYS 24 -13.908 5.947 0.527
194 2HZ LYS 24 2HZ LYS 24 -13.825 6.376 -1.055
195 3HZ LYS 24 3HZ LYS 24 -13.304 4.875 -0.615
196 H GLY 25 H GLY 25 -10.422 5.727 6.614
197 1HA GLY 25 1HA GLY 25 -10.078 4.803 8.662
198 2HA GLY 25 2HA GLY 25 -11.680 4.074 8.464
199 H VAL 26 H VAL 26 -8.722 3.388 6.549
200 HA VAL 26 HA VAL 26 -9.472 0.548 6.804
201 HB VAL 26 HB VAL 26 -7.142 1.713 5.285
202 1HG1 VAL 26 2HG1 VAL 26 -6.976 -0.736 5.471
203 2HG1 VAL 26 3HG1 VAL 26 -8.637 -0.880 4.837
204 3HG1 VAL 26 1HG1 VAL 26 -7.338 -0.252 3.821
205 1HG2 VAL 26 2HG2 VAL 26 -10.058 1.282 4.464
206 2HG2 VAL 26 3HG2 VAL 26 -9.133 2.794 4.437
207 3HG2 VAL 26 1HG2 VAL 26 -8.772 1.518 3.274
208 H SER 27 H SER 27 -8.120 -1.090 7.466
209 HA SER 27 HA SER 27 -6.416 -0.465 9.787
210 1HB SER 27 1HB SER 27 -6.869 -3.134 9.948
211 2HB SER 27 2HB SER 27 -7.969 -1.917 10.584
212 HG SER 27 HG SER 27 -8.714 -3.721 9.036
213 H PHE 28 H PHE 28 -4.938 0.268 7.866
214 HA PHE 28 HA PHE 28 -3.559 -1.903 6.441
215 1HB PHE 28 1HB PHE 28 -2.102 -0.126 5.585
216 2HB PHE 28 2HB PHE 28 -3.790 0.284 5.357
217 HD1 PHE 28 HD2 PHE 28 -0.727 1.072 7.373
218 HD2 PHE 28 HD1 PHE 28 -4.840 2.117 6.556
219 HE1 PHE 28 HE2 PHE 28 -0.531 3.043 8.860
220 HE2 PHE 28 HE1 PHE 28 -4.627 4.077 7.995
221 HZ PHE 28 HZ PHE 28 -2.491 4.531 9.220
222 H GLN 29 H GLN 29 -1.136 -2.040 6.600
223 HA GLN 29 HA GLN 29 -0.034 -1.660 9.289
224 1HB GLN 29 1HB GLN 29 -0.673 -4.079 8.773
225 2HB GLN 29 2HB GLN 29 0.434 -4.027 7.409
226 1HG GLN 29 1HG GLN 29 1.579 -5.052 9.265
227 2HG GLN 29 2HG GLN 29 2.311 -3.466 9.016
228 1HE2 GLN 29 2HE2 GLN 29 1.323 -2.285 12.253
229 2HE2 GLN 29 1HE2 GLN 29 2.180 -1.900 10.789
230 H GLU 30 H GLU 30 1.242 0.035 8.855
231 HA GLU 30 HA GLU 30 2.177 0.570 6.157
232 1HB GLU 30 1HB GLU 30 1.564 2.134 8.433
233 2HB GLU 30 2HB GLU 30 3.334 2.247 8.264
234 1HG GLU 30 1HG GLU 30 3.060 2.854 5.888
235 2HG GLU 30 2HG GLU 30 1.315 2.786 6.084
236 H LEU 31 H LEU 31 4.203 0.361 5.347
237 HA LEU 31 HA LEU 31 6.385 -0.787 7.033
238 1HB LEU 31 1HB LEU 31 5.917 -1.305 4.085
239 2HB LEU 31 2HB LEU 31 7.236 -1.881 5.065
240 HG LEU 31 HG LEU 31 5.976 -3.716 4.850
241 1HD1 LEU 31 1HD1 LEU 31 6.324 -3.225 7.303
242 2HD1 LEU 31 2HD1 LEU 31 4.631 -2.685 7.365
243 3HD1 LEU 31 3HD1 LEU 31 5.010 -4.359 6.929
244 1HD2 LEU 31 1HD2 LEU 31 3.438 -2.120 5.123
245 2HD2 LEU 31 2HD2 LEU 31 4.114 -2.839 3.649
246 3HD2 LEU 31 3HD2 LEU 31 3.534 -3.888 4.953
247 HA PRO 32 HA PRO 32 7.997 3.259 5.454
248 1HB PRO 32 1HB PRO 32 9.799 3.564 7.586
249 2HB PRO 32 2HB PRO 32 8.185 4.289 7.492
250 1HG PRO 32 1HG PRO 32 9.068 1.836 8.969
251 2HG PRO 32 2HG PRO 32 7.813 3.031 9.417
252 1HD PRO 32 1HD PRO 32 7.276 0.548 8.362
253 2HD PRO 32 2HD PRO 32 6.195 1.954 8.133
254 H ILE 33 H ILE 33 9.302 2.740 3.827
255 HA ILE 33 HA ILE 33 11.772 1.124 4.272
256 HB ILE 33 HB ILE 33 11.942 1.032 1.860
257 1HG1 ILE 33 1HG1 ILE 33 9.126 1.633 1.266
258 2HG1 ILE 33 2HG1 ILE 33 9.999 3.038 1.766
259 1HG2 ILE 33 3HG2 ILE 33 9.396 0.051 3.154
260 2HG2 ILE 33 1HG2 ILE 33 10.060 -0.561 1.613
261 3HG2 ILE 33 2HG2 ILE 33 10.983 -0.734 3.129
262 1HD1 ILE 33 2HD1 ILE 33 11.811 2.385 0.019
263 2HD1 ILE 33 3HD1 ILE 33 10.529 1.345 -0.657
264 3HD1 ILE 33 1HD1 ILE 33 10.283 3.081 -0.541
265 H ASP 34 H ASP 34 11.127 3.993 5.030
266 HA ASP 34 HA ASP 34 13.160 5.381 3.563
267 1HB ASP 34 1HB ASP 34 12.949 7.019 5.675
268 2HB ASP 34 2HB ASP 34 11.689 6.975 4.472
269 H GLY 35 H GLY 35 13.019 4.551 7.098
270 1HA GLY 35 1HA GLY 35 15.892 4.215 7.223
271 2HA GLY 35 2HA GLY 35 14.723 3.961 8.517
272 H ASN 36 H ASN 36 14.671 2.281 5.329
273 HA ASN 36 HA ASN 36 15.681 -0.232 6.428
274 1HB ASN 36 1HB ASN 36 13.510 -0.518 7.361
275 2HB ASN 36 2HB ASN 36 12.724 0.279 6.008
276 1HD2 ASN 36 2HD2 ASN 36 14.007 -3.493 5.248
277 2HD2 ASN 36 1HD2 ASN 36 14.646 -2.811 6.734
278 H ALA 37 H ALA 37 16.462 -1.462 4.807
279 HA ALA 37 HA ALA 37 15.303 -1.147 2.102
280 1HB ALA 37 3HB ALA 37 17.608 -0.175 2.241
281 2HB ALA 37 1HB ALA 37 18.201 -1.801 2.668
282 3HB ALA 37 2HB ALA 37 17.456 -1.518 1.088
283 H ALA 38 H ALA 38 16.111 -3.373 4.628
284 HA ALA 38 HA ALA 38 16.172 -5.777 3.126
285 1HB ALA 38 2HB ALA 38 16.821 -5.685 5.481
286 2HB ALA 38 3HB ALA 38 15.150 -5.332 5.969
287 3HB ALA 38 1HB ALA 38 15.541 -6.888 5.229
288 H LYS 39 H LYS 39 13.320 -4.861 5.114
289 HA LYS 39 HA LYS 39 11.483 -6.346 3.648
290 1HB LYS 39 1HB LYS 39 11.229 -5.438 5.933
291 2HB LYS 39 2HB LYS 39 10.974 -3.824 5.275
292 1HG LYS 39 1HG LYS 39 8.953 -4.589 4.131
293 2HG LYS 39 2HG LYS 39 9.224 -6.252 4.686
294 1HD LYS 39 1HD LYS 39 8.690 -3.809 6.434
295 2HD LYS 39 2HD LYS 39 7.509 -5.053 5.993
296 1HE LYS 39 1HE LYS 39 8.141 -6.412 7.624
297 2HE LYS 39 2HE LYS 39 9.820 -6.370 7.086
298 1HZ LYS 39 3HZ LYS 39 8.595 -4.357 8.883
299 2HZ LYS 39 1HZ LYS 39 9.559 -5.591 9.345
300 3HZ LYS 39 2HZ LYS 39 10.204 -4.440 8.410
301 H ARG 40 H ARG 40 12.607 -3.070 2.999
302 HA ARG 40 HA ARG 40 10.910 -2.403 0.868
303 1HB ARG 40 1HB ARG 40 12.956 -1.124 1.884
304 2HB ARG 40 2HB ARG 40 13.942 -2.050 0.767
305 1HG ARG 40 1HG ARG 40 11.662 -0.314 -0.039
306 2HG ARG 40 2HG ARG 40 13.348 0.224 0.028
307 1HD ARG 40 1HD ARG 40 12.088 -1.770 -1.900
308 2HD ARG 40 2HD ARG 40 12.690 -0.190 -2.244
309 HE ARG 40 HE ARG 40 14.409 -2.515 -1.416
310 1HH1 ARG 40 2HH2 ARG 40 14.094 0.559 -3.209
311 2HH1 ARG 40 1HH2 ARG 40 15.690 0.476 -3.860
312 1HH2 ARG 40 2HH1 ARG 40 16.498 -2.719 -2.535
313 2HH2 ARG 40 1HH1 ARG 40 17.025 -1.405 -3.464
314 H GLU 41 H GLU 41 13.964 -4.398 0.656
315 HA GLU 41 HA GLU 41 13.401 -4.864 -2.142
316 1HB GLU 41 1HB GLU 41 15.627 -4.603 -0.911
317 2HB GLU 41 2HB GLU 41 15.439 -6.295 -0.424
318 1HG GLU 41 1HG GLU 41 15.585 -7.042 -2.678
319 2HG GLU 41 2HG GLU 41 15.128 -5.465 -3.340
320 H GLU 42 H GLU 42 12.409 -6.383 0.826
321 HA GLU 42 HA GLU 42 11.706 -8.947 -0.248
322 1HB GLU 42 1HB GLU 42 11.913 -8.188 2.188
323 2HB GLU 42 2HB GLU 42 10.409 -7.318 1.951
324 1HG GLU 42 1HG GLU 42 9.523 -9.117 2.909
325 2HG GLU 42 2HG GLU 42 9.462 -9.694 1.234
326 H MET 43 H MET 43 10.042 -5.729 -0.105
327 HA MET 43 HA MET 43 7.578 -6.343 -1.344
328 1HB MET 43 1HB MET 43 8.360 -4.065 -0.408
329 2HB MET 43 2HB MET 43 9.236 -3.874 -1.906
330 1HG MET 43 1HG MET 43 7.138 -4.098 -3.201
331 2HG MET 43 2HG MET 43 6.259 -4.106 -1.673
332 1HE MET 43 3HE MET 43 8.777 -2.154 -3.959
333 2HE MET 43 1HE MET 43 8.703 -0.493 -3.331
334 3HE MET 43 2HE MET 43 9.532 -1.752 -2.401
335 H ILE 44 H ILE 44 10.761 -5.553 -2.778
336 HA ILE 44 HA ILE 44 9.872 -5.478 -5.481
337 HB ILE 44 HB ILE 44 12.664 -6.077 -4.404
338 1HG1 ILE 44 1HG1 ILE 44 11.162 -3.505 -4.996
339 2HG1 ILE 44 2HG1 ILE 44 11.837 -3.993 -3.474
340 1HG2 ILE 44 1HG2 ILE 44 12.380 -6.648 -6.825
341 2HG2 ILE 44 2HG2 ILE 44 11.782 -5.004 -7.127
342 3HG2 ILE 44 3HG2 ILE 44 13.460 -5.293 -6.599
343 1HD1 ILE 44 2HD1 ILE 44 13.497 -3.167 -5.877
344 2HD1 ILE 44 3HD1 ILE 44 13.149 -2.209 -4.445
345 3HD1 ILE 44 1HD1 ILE 44 14.127 -3.685 -4.303
346 H LYS 45 H LYS 45 10.824 -8.195 -3.353
347 HA LYS 45 HA LYS 45 10.612 -10.127 -5.550
348 1HB LYS 45 1HB LYS 45 10.797 -10.540 -2.548
349 2HB LYS 45 2HB LYS 45 10.810 -11.825 -3.770
350 1HG LYS 45 1HG LYS 45 12.823 -10.824 -4.829
351 2HG LYS 45 2HG LYS 45 12.815 -9.531 -3.635
352 1HD LYS 45 1HD LYS 45 12.903 -11.582 -1.912
353 2HD LYS 45 2HD LYS 45 13.550 -12.425 -3.321
354 1HE LYS 45 1HE LYS 45 15.430 -11.538 -2.129
355 2HE LYS 45 2HE LYS 45 15.242 -10.533 -3.571
356 1HZ LYS 45 1HZ LYS 45 14.288 -9.885 -0.849
357 2HZ LYS 45 2HZ LYS 45 15.614 -9.220 -1.567
358 3HZ LYS 45 3HZ LYS 45 14.099 -8.896 -2.149
359 H ARG 46 H ARG 46 8.378 -8.694 -3.192
360 HA ARG 46 HA ARG 46 6.360 -10.723 -3.451
361 1HB ARG 46 1HB ARG 46 6.064 -7.773 -2.736
362 2HB ARG 46 2HB ARG 46 4.798 -8.974 -2.584
363 1HG ARG 46 1HG ARG 46 7.338 -9.685 -1.185
364 2HG ARG 46 2HG ARG 46 6.549 -8.240 -0.606
365 1HD ARG 46 1HD ARG 46 5.833 -10.225 0.668
366 2HD ARG 46 2HD ARG 46 4.484 -9.451 -0.160
367 HE ARG 46 HE ARG 46 4.090 -11.347 -1.302
368 1HH1 ARG 46 2HH2 ARG 46 7.512 -11.495 -0.411
369 2HH1 ARG 46 1HH2 ARG 46 7.712 -13.154 -0.884
370 1HH2 ARG 46 2HH1 ARG 46 4.333 -13.552 -1.869
371 2HH2 ARG 46 1HH1 ARG 46 5.926 -14.214 -2.073
372 H SER 47 H SER 47 6.836 -7.597 -5.218
373 HA SER 47 HA SER 47 4.675 -8.471 -7.092
374 1HB SER 47 1HB SER 47 4.367 -6.023 -7.401
375 2HB SER 47 2HB SER 47 4.109 -6.557 -5.733
376 HG SER 47 HG SER 47 5.440 -4.718 -5.749
377 H GLY 48 H GLY 48 8.089 -7.728 -7.025
378 1HA GLY 48 1HA GLY 48 9.577 -7.680 -8.811
379 2HA GLY 48 2HA GLY 48 8.240 -7.602 -9.948
380 H ARG 49 H ARG 49 7.255 -5.259 -7.887
381 HA ARG 49 HA ARG 49 8.429 -3.170 -9.656
382 1HB ARG 49 1HB ARG 49 6.095 -3.258 -7.731
383 2HB ARG 49 2HB ARG 49 6.861 -1.720 -8.139
384 1HG ARG 49 1HG ARG 49 6.473 -2.339 -10.597
385 2HG ARG 49 2HG ARG 49 5.369 -3.592 -9.987
386 1HD ARG 49 1HD ARG 49 3.955 -1.983 -8.937
387 2HD ARG 49 2HD ARG 49 5.171 -0.714 -8.999
388 HE ARG 49 HE ARG 49 3.289 -1.412 -11.065
389 1HH1 ARG 49 2HH2 ARG 49 6.561 0.008 -10.556
390 2HH1 ARG 49 1HH2 ARG 49 6.362 1.247 -11.709
391 1HH2 ARG 49 2HH1 ARG 49 3.148 0.123 -12.849
392 2HH2 ARG 49 1HH1 ARG 49 4.475 1.171 -13.145
393 H THR 50 H THR 50 9.657 -1.456 -8.891
394 HA THR 50 HA THR 50 11.058 -2.016 -6.368
395 HB THR 50 HB THR 50 12.700 -0.408 -7.238
396 HG1 THR 50 HG1 THR 50 12.284 0.816 -8.880
397 1HG2 THR 50 2HG2 THR 50 12.847 -2.810 -7.976
398 2HG2 THR 50 3HG2 THR 50 11.893 -2.405 -9.412
399 3HG2 THR 50 1HG2 THR 50 13.490 -1.674 -9.168
400 H THR 51 H THR 51 8.885 0.446 -7.757
401 HA THR 51 HA THR 51 9.667 2.479 -5.894
402 HB THR 51 HB THR 51 7.817 3.715 -7.055
403 HG1 THR 51 HG1 THR 51 6.433 2.001 -7.440
404 1HG2 THR 51 3HG2 THR 51 9.657 2.218 -8.983
405 2HG2 THR 51 1HG2 THR 51 8.775 3.707 -9.326
406 3HG2 THR 51 2HG2 THR 51 10.048 3.717 -8.112
407 H VAL 52 H VAL 52 8.269 3.583 -4.416
408 HA VAL 52 HA VAL 52 5.955 2.064 -3.366
409 HB VAL 52 HB VAL 52 6.345 3.504 -1.298
410 1HG1 VAL 52 3HG1 VAL 52 7.022 1.106 -1.663
411 2HG1 VAL 52 1HG1 VAL 52 8.646 1.692 -2.061
412 3HG1 VAL 52 2HG1 VAL 52 7.934 2.008 -0.454
413 1HG2 VAL 52 3HG2 VAL 52 7.758 5.264 -2.375
414 2HG2 VAL 52 1HG2 VAL 52 8.415 4.560 -0.892
415 3HG2 VAL 52 2HG2 VAL 52 9.080 4.079 -2.464
416 HA PRO 53 HA PRO 53 4.453 2.831 -1.587
417 1HB PRO 53 1HB PRO 53 1.786 3.065 -1.424
418 2HB PRO 53 2HB PRO 53 2.860 4.360 -0.821
419 1HG PRO 53 1HG PRO 53 1.409 4.211 -3.476
420 2HG PRO 53 2HG PRO 53 1.510 5.593 -2.342
421 1HD PRO 53 1HD PRO 53 3.136 5.224 -4.562
422 2HD PRO 53 2HD PRO 53 3.654 6.166 -3.127
423 H GLN 54 H GLN 54 3.177 0.859 -1.525
424 HA GLN 54 HA GLN 54 1.897 -0.076 -3.928
425 1HB GLN 54 1HB GLN 54 4.222 -1.604 -2.654
426 2HB GLN 54 2HB GLN 54 3.003 -2.327 -3.713
427 1HG GLN 54 1HG GLN 54 3.655 -0.670 -5.505
428 2HG GLN 54 2HG GLN 54 4.964 -0.137 -4.444
429 1HE2 GLN 54 2HE2 GLN 54 7.113 -2.677 -5.714
430 2HE2 GLN 54 1HE2 GLN 54 6.870 -1.023 -5.163
431 H ILE 55 H ILE 55 0.111 -1.355 -3.240
432 HA ILE 55 HA ILE 55 -0.043 -1.782 -0.313
433 HB ILE 55 HB ILE 55 -2.230 -1.235 -2.361
434 1HG1 ILE 55 1HG1 ILE 55 -2.697 0.646 -0.618
435 2HG1 ILE 55 2HG1 ILE 55 -1.056 0.395 -0.089
436 1HG2 ILE 55 2HG2 ILE 55 -2.998 -2.878 -0.660
437 2HG2 ILE 55 3HG2 ILE 55 -2.476 -1.782 0.634
438 3HG2 ILE 55 1HG2 ILE 55 -3.796 -1.328 -0.453
439 1HD1 ILE 55 2HD1 ILE 55 -1.727 1.049 -2.986
440 2HD1 ILE 55 3HD1 ILE 55 -1.504 2.304 -1.749
441 3HD1 ILE 55 1HD1 ILE 55 -0.166 1.237 -2.159
442 H PHE 56 H PHE 56 -0.754 -3.793 0.301
443 HA PHE 56 HA PHE 56 -1.233 -5.828 -1.744
444 1HB PHE 56 1HB PHE 56 0.601 -6.182 0.665
445 2HB PHE 56 2HB PHE 56 0.007 -7.484 -0.352
446 HD1 PHE 56 HD1 PHE 56 2.135 -4.402 -0.365
447 HD2 PHE 56 HD2 PHE 56 1.152 -8.087 -2.374
448 HE1 PHE 56 HE1 PHE 56 4.028 -4.054 -1.925
449 HE2 PHE 56 HE2 PHE 56 3.068 -7.763 -3.903
450 HZ PHE 56 HZ PHE 56 4.497 -5.724 -3.716
451 H ILE 57 H ILE 57 -2.891 -7.243 -1.017
452 HA ILE 57 HA ILE 57 -4.024 -6.790 1.662
453 HB ILE 57 HB ILE 57 -5.731 -6.776 -0.862
454 1HG1 ILE 57 1HG1 ILE 57 -5.021 -4.462 1.000
455 2HG1 ILE 57 2HG1 ILE 57 -4.532 -4.652 -0.679
456 1HG2 ILE 57 2HG2 ILE 57 -6.401 -6.473 2.112
457 2HG2 ILE 57 3HG2 ILE 57 -7.566 -6.295 0.783
458 3HG2 ILE 57 1HG2 ILE 57 -6.808 -7.849 1.071
459 1HD1 ILE 57 1HD1 ILE 57 -7.034 -4.678 -1.282
460 2HD1 ILE 57 2HD1 ILE 57 -7.297 -4.034 0.357
461 3HD1 ILE 57 3HD1 ILE 57 -6.285 -3.146 -0.806
462 H ASP 58 H ASP 58 -3.882 -8.735 2.511
463 HA ASP 58 HA ASP 58 -3.730 -11.005 2.761
464 1HB ASP 58 1HB ASP 58 -5.760 -11.053 0.545
465 2HB ASP 58 2HB ASP 58 -5.513 -12.308 1.770
466 H ALA 59 H ALA 59 -1.795 -9.985 1.344
467 HA ALA 59 HA ALA 59 0.063 -10.398 0.170
468 1HB ALA 59 1HB ALA 59 -0.097 -12.651 1.169
469 2HB ALA 59 2HB ALA 59 -0.990 -13.210 -0.257
470 3HB ALA 59 3HB ALA 59 0.679 -12.658 -0.428
471 H GLN 60 H GLN 60 -2.930 -10.349 -1.420
472 HA GLN 60 HA GLN 60 -1.804 -10.618 -4.132
473 1HB GLN 60 1HB GLN 60 -4.429 -9.496 -3.170
474 2HB GLN 60 2HB GLN 60 -3.974 -9.702 -4.857
475 1HG GLN 60 1HG GLN 60 -3.837 -12.115 -4.604
476 2HG GLN 60 2HG GLN 60 -4.151 -12.013 -2.867
477 1HE2 GLN 60 2HE2 GLN 60 -7.650 -11.972 -3.240
478 2HE2 GLN 60 1HE2 GLN 60 -6.239 -12.243 -2.214
479 H HIS 61 H HIS 61 -1.069 -8.926 -5.279
480 HA HIS 61 HA HIS 61 -0.357 -6.427 -3.898
481 1HB HIS 61 1HB HIS 61 1.213 -7.620 -5.355
482 2HB HIS 61 2HB HIS 61 0.059 -7.600 -6.681
483 HD1 HIS 61 HD1 HIS 61 0.999 -6.099 -8.434
484 HD2 HIS 61 HD2 HIS 61 1.655 -4.775 -4.466
485 HE1 HIS 61 HE1 HIS 61 2.452 -3.980 -8.594
486 HE2 HIS 61 HE2 HIS 61 2.913 -3.245 -6.152
487 H ILE 62 H ILE 62 -1.073 -4.358 -4.598
488 HA ILE 62 HA ILE 62 -3.488 -4.309 -6.319
489 HB ILE 62 HB ILE 62 -2.344 -2.051 -4.633
490 1HG1 ILE 62 1HG1 ILE 62 -2.945 -3.577 -3.014
491 2HG1 ILE 62 2HG1 ILE 62 -4.276 -2.444 -3.105
492 1HG2 ILE 62 3HG2 ILE 62 -5.024 -2.367 -6.035
493 2HG2 ILE 62 1HG2 ILE 62 -4.557 -1.021 -4.976
494 3HG2 ILE 62 2HG2 ILE 62 -3.718 -1.269 -6.503
495 1HD1 ILE 62 1HD1 ILE 62 -5.553 -4.114 -4.540
496 2HD1 ILE 62 2HD1 ILE 62 -4.275 -5.291 -4.152
497 3HD1 ILE 62 3HD1 ILE 62 -5.260 -4.610 -2.871
498 H GLY 63 H GLY 63 -0.828 -1.970 -5.820
499 1HA GLY 63 1HA GLY 63 0.629 -1.930 -8.123
500 2HA GLY 63 2HA GLY 63 -0.927 -1.171 -8.548
501 H GLY 64 H GLY 64 -0.247 0.978 -8.562
502 1HA GLY 64 1HA GLY 64 1.253 2.160 -6.330
503 2HA GLY 64 2HA GLY 64 0.700 2.966 -7.809
504 H TYR 65 H TYR 65 0.082 4.704 -6.293
505 HA TYR 65 HA TYR 65 -2.064 4.232 -4.341
506 1HB TYR 65 1HB TYR 65 -0.432 5.869 -3.699
507 2HB TYR 65 2HB TYR 65 -0.449 6.632 -5.282
508 HD1 TYR 65 HD2 TYR 65 -2.974 5.723 -2.648
509 HD2 TYR 65 HD1 TYR 65 -1.598 8.680 -5.470
510 HE1 TYR 65 HE2 TYR 65 -4.726 7.276 -1.892
511 HE2 TYR 65 HE1 TYR 65 -3.370 10.212 -4.728
512 HH TYR 65 HH TYR 65 -5.527 10.187 -3.582
513 H ASP 66 H ASP 66 -1.798 6.011 -7.502
514 HA ASP 66 HA ASP 66 -4.543 6.750 -7.517
515 1HB ASP 66 1HB ASP 66 -2.615 6.146 -9.799
516 2HB ASP 66 2HB ASP 66 -4.278 6.691 -10.046
517 H ASP 67 H ASP 67 -2.854 3.818 -8.540
518 HA ASP 67 HA ASP 67 -4.978 2.343 -9.590
519 1HB ASP 67 1HB ASP 67 -2.708 1.200 -7.921
520 2HB ASP 67 2HB ASP 67 -3.739 0.326 -9.023
521 H LEU 68 H LEU 68 -3.788 2.473 -6.176
522 HA LEU 68 HA LEU 68 -5.830 0.881 -5.080
523 1HB LEU 68 1HB LEU 68 -3.753 1.626 -3.836
524 2HB LEU 68 2HB LEU 68 -4.512 3.211 -3.644
525 HG LEU 68 HG LEU 68 -6.548 1.893 -2.613
526 1HD1 LEU 68 1HD1 LEU 68 -4.360 -0.200 -2.475
527 2HD1 LEU 68 2HD1 LEU 68 -5.825 -0.235 -1.476
528 3HD1 LEU 68 3HD1 LEU 68 -5.965 -0.359 -3.225
529 1HD2 LEU 68 1HD2 LEU 68 -3.949 2.272 -1.159
530 2HD2 LEU 68 2HD2 LEU 68 -5.370 3.313 -1.211
531 3HD2 LEU 68 3HD2 LEU 68 -5.477 1.769 -0.383
532 H TYR 69 H TYR 69 -5.773 4.438 -5.476
533 HA TYR 69 HA TYR 69 -8.257 4.984 -4.233
534 1HB TYR 69 1HB TYR 69 -6.683 6.742 -5.084
535 2HB TYR 69 2HB TYR 69 -7.186 6.385 -6.717
536 HD1 TYR 69 HD2 TYR 69 -9.315 6.735 -3.574
537 HD2 TYR 69 HD1 TYR 69 -8.353 8.279 -7.494
538 HE1 TYR 69 HE2 TYR 69 -11.201 8.297 -3.420
539 HE2 TYR 69 HE1 TYR 69 -10.208 9.886 -7.319
540 HH TYR 69 HH TYR 69 -11.861 10.845 -5.837
541 H ALA 70 H ALA 70 -7.700 4.106 -7.593
542 HA ALA 70 HA ALA 70 -10.545 4.101 -8.293
543 1HB ALA 70 2HB ALA 70 -8.158 2.738 -9.625
544 2HB ALA 70 3HB ALA 70 -9.805 2.779 -10.288
545 3HB ALA 70 1HB ALA 70 -8.911 4.291 -10.075
546 H LEU 71 H LEU 71 -8.200 1.604 -7.275
547 HA LEU 71 HA LEU 71 -9.989 -0.589 -7.451
548 1HB LEU 71 1HB LEU 71 -7.466 -0.692 -7.277
549 2HB LEU 71 2HB LEU 71 -7.600 -0.296 -5.582
550 HG LEU 71 HG LEU 71 -7.282 -2.753 -6.332
551 1HD1 LEU 71 3HD1 LEU 71 -9.170 -2.005 -4.200
552 2HD1 LEU 71 1HD1 LEU 71 -8.481 -3.629 -4.398
553 3HD1 LEU 71 2HD1 LEU 71 -7.429 -2.240 -4.082
554 1HD2 LEU 71 2HD2 LEU 71 -8.981 -2.943 -7.972
555 2HD2 LEU 71 3HD2 LEU 71 -9.228 -4.111 -6.675
556 3HD2 LEU 71 1HD2 LEU 71 -10.250 -2.657 -6.764
557 H ASP 72 H ASP 72 -9.464 1.796 -4.851
558 HA ASP 72 HA ASP 72 -11.195 0.497 -2.940
559 1HB ASP 72 1HB ASP 72 -9.536 2.197 -2.219
560 2HB ASP 72 2HB ASP 72 -10.369 3.420 -3.162
561 H ALA 73 H ALA 73 -11.620 3.363 -5.011
562 HA ALA 73 HA ALA 73 -14.302 3.708 -4.277
563 1HB ALA 73 3HB ALA 73 -12.832 5.486 -5.160
564 2HB ALA 73 1HB ALA 73 -12.855 4.707 -6.759
565 3HB ALA 73 2HB ALA 73 -14.352 5.397 -6.068
566 H ARG 74 H ARG 74 -13.020 1.632 -6.758
567 HA ARG 74 HA ARG 74 -15.580 1.138 -8.041
568 1HB ARG 74 1HB ARG 74 -14.439 -0.330 -9.391
569 2HB ARG 74 2HB ARG 74 -13.194 0.803 -8.990
570 1HG ARG 74 1HG ARG 74 -11.983 -1.094 -8.575
571 2HG ARG 74 2HG ARG 74 -12.720 -0.994 -6.999
572 1HD ARG 74 1HD ARG 74 -14.173 -2.775 -7.402
573 2HD ARG 74 2HD ARG 74 -14.229 -2.480 -9.138
574 HE ARG 74 HE ARG 74 -11.641 -3.242 -8.733
575 1HH1 ARG 74 2HH2 ARG 74 -14.821 -4.768 -8.169
576 2HH1 ARG 74 1HH2 ARG 74 -14.355 -6.261 -8.933
577 1HH2 ARG 74 2HH1 ARG 74 -10.964 -5.294 -9.355
578 2HH2 ARG 74 1HH1 ARG 74 -12.065 -6.638 -9.373
579 H GLY 75 H GLY 75 -14.230 0.173 -5.022
580 1HA GLY 75 1HA GLY 75 -15.112 -1.177 -3.405
581 2HA GLY 75 2HA GLY 75 -16.334 -1.769 -4.530
582 H GLY 76 H GLY 76 -12.667 -1.894 -5.107
583 1HA GLY 76 1HA GLY 76 -12.854 -4.837 -5.037
584 2HA GLY 76 2HA GLY 76 -11.569 -3.867 -5.705
585 H LEU 77 H LEU 77 -11.348 -1.978 -3.510
586 HA LEU 77 HA LEU 77 -9.614 -3.467 -1.768
587 1HB LEU 77 1HB LEU 77 -9.415 -0.969 -2.373
588 2HB LEU 77 2HB LEU 77 -10.722 -0.644 -1.266
589 HG LEU 77 HG LEU 77 -7.999 -1.722 -0.557
590 1HD1 LEU 77 3HD1 LEU 77 -8.093 0.649 -1.244
591 2HD1 LEU 77 1HD1 LEU 77 -9.333 0.957 -0.016
592 3HD1 LEU 77 2HD1 LEU 77 -7.695 0.507 0.472
593 1HD2 LEU 77 2HD2 LEU 77 -10.341 -1.089 1.279
594 2HD2 LEU 77 3HD2 LEU 77 -9.419 -2.609 1.180
595 3HD2 LEU 77 1HD2 LEU 77 -8.667 -1.164 1.843
596 H ASP 78 H ASP 78 -12.658 -1.734 -1.365
597 HA ASP 78 HA ASP 78 -12.971 -1.942 1.350
598 1HB ASP 78 1HB ASP 78 -14.257 -0.541 -0.328
599 2HB ASP 78 2HB ASP 78 -15.382 -1.893 -0.484
600 HA PRO 79 HA PRO 79 -15.672 -5.804 1.389
601 1HB PRO 79 1HB PRO 79 -15.754 -7.604 -0.669
602 2HB PRO 79 2HB PRO 79 -16.813 -6.166 -0.570
603 1HG PRO 79 1HG PRO 79 -14.187 -6.455 -2.064
604 2HG PRO 79 2HG PRO 79 -15.751 -5.839 -2.693
605 1HD PRO 79 1HD PRO 79 -13.826 -4.164 -1.851
606 2HD PRO 79 2HD PRO 79 -15.546 -3.830 -1.486
607 H LEU 80 H LEU 80 -12.377 -5.800 0.335
608 HA LEU 80 HA LEU 80 -11.825 -8.552 1.302
609 1HB LEU 80 1HB LEU 80 -10.010 -6.287 0.398
610 2HB LEU 80 2HB LEU 80 -9.446 -7.879 0.892
611 HG LEU 80 HG LEU 80 -11.395 -7.533 -1.416
612 1HD1 LEU 80 1HD1 LEU 80 -8.363 -7.536 -1.410
613 2HD1 LEU 80 2HD1 LEU 80 -9.384 -7.714 -2.857
614 3HD1 LEU 80 3HD1 LEU 80 -9.410 -6.209 -1.904
615 1HD2 LEU 80 2HD2 LEU 80 -9.447 -9.767 -0.665
616 2HD2 LEU 80 3HD2 LEU 80 -11.209 -9.826 -0.458
617 3HD2 LEU 80 1HD2 LEU 80 -10.515 -9.741 -2.084
618 H LEU 81 H LEU 81 -12.363 -5.484 2.676
619 HA LEU 81 HA LEU 81 -10.545 -5.770 4.915
620 1HB LEU 81 1HB LEU 81 -11.919 -3.683 3.874
621 2HB LEU 81 2HB LEU 81 -13.107 -4.183 5.059
622 HG LEU 81 HG LEU 81 -11.694 -2.359 5.814
623 1HD1 LEU 81 2HD1 LEU 81 -12.510 -4.101 7.481
624 2HD1 LEU 81 3HD1 LEU 81 -10.854 -4.763 7.443
625 3HD1 LEU 81 1HD1 LEU 81 -11.142 -3.109 7.998
626 1HD2 LEU 81 3HD2 LEU 81 -9.650 -2.949 4.515
627 2HD2 LEU 81 1HD2 LEU 81 -9.327 -2.546 6.222
628 3HD2 LEU 81 2HD2 LEU 81 -9.288 -4.227 5.694
629 H LYS 82 H LYS 82 -13.494 -7.273 3.936
630 HA LYS 82 HA LYS 82 -14.103 -8.307 6.631
631 1HB LYS 82 1HB LYS 82 -15.532 -8.120 4.013
632 2HB LYS 82 2HB LYS 82 -15.648 -9.704 4.750
633 1HG LYS 82 1HG LYS 82 -16.313 -7.202 6.334
634 2HG LYS 82 2HG LYS 82 -17.464 -7.972 5.251
635 1HD LYS 82 1HD LYS 82 -17.980 -8.790 7.359
636 2HD LYS 82 2HD LYS 82 -17.210 -10.125 6.534
637 1HE LYS 82 1HE LYS 82 -15.512 -8.337 8.275
638 2HE LYS 82 2HE LYS 82 -16.688 -9.385 9.078
639 1HZ LYS 82 2HZ LYS 82 -14.608 -10.393 7.233
640 2HZ LYS 82 3HZ LYS 82 -14.500 -10.386 8.851
641 3HZ LYS 82 1HZ LYS 82 -15.678 -11.288 8.111
642 1HB2 GTT 83 1HB2 GTT 83 9.048 6.868 -3.377
643 2HB2 GTT 83 2HB2 GTT 83 10.121 8.192 -3.793
644 HA2 GTT 83 HA2 GTT 83 9.897 7.835 -6.101
645 HN2 GTT 83 HN2 GTT 83 7.274 6.593 -5.444
646 1HG1 GTT 83 1HG1 GTT 83 5.698 7.028 -7.651
647 2HG1 GTT 83 2HG1 GTT 83 6.252 5.377 -7.337
648 1HB1 GTT 83 1HB1 GTT 83 7.379 5.479 -9.670
649 2HB1 GTT 83 2HB1 GTT 83 6.484 6.975 -9.905
650 HA1 GTT 83 HA1 GTT 83 4.354 5.631 -9.416
651 1HN1 GTT 83 1HN1 GTT 83 4.526 3.329 -9.922
652 2HN1 GTT 83 2HN1 GTT 83 6.157 3.393 -10.008
653 3HN1 GTT 83 3HN1 GTT 83 5.381 3.612 -8.546
654 HN3 GTT 83 HN3 GTT 83 11.752 6.383 -6.310
655 1HA3 GTT 83 1HA3 GTT 83 11.870 3.973 -4.783
656 2HA3 GTT 83 2HA3 GTT 83 11.420 3.588 -6.452
No H/Q in entry = 656
Start of MODEL 2
1 1H ALA 1 3H ALA 1 -8.158 -10.345 6.698
2 2H ALA 1 1H ALA 1 -9.245 -9.400 5.893
3 3H ALA 1 2H ALA 1 -7.835 -9.870 5.152
4 HA ALA 1 HA ALA 1 -7.687 -7.624 5.747
5 1HB ALA 1 3HB ALA 1 -9.313 -7.652 7.624
6 2HB ALA 1 1HB ALA 1 -8.138 -8.541 8.612
7 3HB ALA 1 2HB ALA 1 -7.776 -6.895 8.065
8 H ASN 2 H ASN 2 -5.619 -7.527 5.191
9 HA ASN 2 HA ASN 2 -3.624 -7.447 7.284
10 1HB ASN 2 1HB ASN 2 -3.641 -9.878 6.318
11 2HB ASN 2 2HB ASN 2 -2.963 -9.198 4.866
12 1HD2 ASN 2 2HD2 ASN 2 0.083 -8.135 6.802
13 2HD2 ASN 2 1HD2 ASN 2 -1.063 -7.363 5.720
14 H VAL 3 H VAL 3 -4.553 -5.219 6.280
15 HA VAL 3 HA VAL 3 -3.793 -4.626 3.533
16 HB VAL 3 HB VAL 3 -4.809 -2.778 5.711
17 1HG1 VAL 3 1HG1 VAL 3 -3.822 -1.567 3.832
18 2HG1 VAL 3 2HG1 VAL 3 -4.860 -2.436 2.692
19 3HG1 VAL 3 3HG1 VAL 3 -5.573 -1.336 3.889
20 1HG2 VAL 3 2HG2 VAL 3 -6.484 -4.539 5.441
21 2HG2 VAL 3 3HG2 VAL 3 -7.044 -3.001 4.799
22 3HG2 VAL 3 1HG2 VAL 3 -6.512 -4.267 3.684
23 H GLU 4 H GLU 4 -1.590 -4.565 3.286
24 HA GLU 4 HA GLU 4 0.062 -3.115 5.294
25 1HB GLU 4 1HB GLU 4 0.618 -5.120 3.078
26 2HB GLU 4 2HB GLU 4 1.911 -4.116 3.710
27 1HG GLU 4 1HG GLU 4 1.526 -4.987 5.990
28 2HG GLU 4 2HG GLU 4 0.136 -5.911 5.413
29 H ILE 5 H ILE 5 1.201 -1.243 4.545
30 HA ILE 5 HA ILE 5 1.009 -0.481 1.705
31 HB ILE 5 HB ILE 5 -0.853 0.664 2.533
32 1HG1 ILE 5 1HG1 ILE 5 1.388 2.706 2.590
33 2HG1 ILE 5 2HG1 ILE 5 0.925 1.875 1.112
34 1HG2 ILE 5 1HG2 ILE 5 -0.349 0.554 5.002
35 2HG2 ILE 5 2HG2 ILE 5 0.774 1.904 4.795
36 3HG2 ILE 5 3HG2 ILE 5 -0.962 2.116 4.467
37 1HD1 ILE 5 3HD1 ILE 5 -0.961 3.616 2.753
38 2HD1 ILE 5 1HD1 ILE 5 -0.058 4.126 1.322
39 3HD1 ILE 5 2HD1 ILE 5 -1.283 2.858 1.172
40 H TYR 6 H TYR 6 3.038 -0.396 1.085
41 HA TYR 6 HA TYR 6 5.241 0.184 2.946
42 1HB TYR 6 1HB TYR 6 5.056 -0.374 -0.040
43 2HB TYR 6 2HB TYR 6 6.548 0.128 0.751
44 HD1 TYR 6 HD2 TYR 6 3.907 -2.555 0.906
45 HD2 TYR 6 HD1 TYR 6 7.936 -1.361 1.814
46 HE1 TYR 6 HE2 TYR 6 4.432 -4.853 1.612
47 HE2 TYR 6 HE1 TYR 6 8.512 -3.658 2.473
48 HH TYR 6 HH TYR 6 5.934 -6.234 2.578
49 H THR 7 H THR 7 6.166 2.161 3.285
50 HA THR 7 HA THR 7 5.907 4.264 1.257
51 HB THR 7 HB THR 7 5.384 5.902 3.101
52 HG1 THR 7 HG1 THR 7 5.794 4.869 4.924
53 1HG2 THR 7 3HG2 THR 7 3.541 5.008 1.570
54 2HG2 THR 7 1HG2 THR 7 3.162 3.860 2.867
55 3HG2 THR 7 2HG2 THR 7 3.004 5.603 3.154
56 H LYS 8 H LYS 8 7.388 6.173 2.056
57 HA LYS 8 HA LYS 8 9.461 5.370 3.907
58 1HB LYS 8 1HB LYS 8 11.304 6.097 2.493
59 2HB LYS 8 2HB LYS 8 10.465 4.727 1.771
60 1HG LYS 8 1HG LYS 8 9.151 6.511 0.398
61 2HG LYS 8 2HG LYS 8 10.392 7.653 0.902
62 1HD LYS 8 1HD LYS 8 11.153 5.007 -0.363
63 2HD LYS 8 2HD LYS 8 10.515 6.301 -1.342
64 1HE LYS 8 1HE LYS 8 12.789 6.512 -1.601
65 2HE LYS 8 2HE LYS 8 12.378 7.817 -0.481
66 1HZ LYS 8 1HZ LYS 8 13.359 5.190 0.467
67 2HZ LYS 8 2HZ LYS 8 14.388 6.349 -0.011
68 3HZ LYS 8 3HZ LYS 8 13.406 6.664 1.241
69 H GLU 9 H GLU 9 10.422 7.400 4.747
70 HA GLU 9 HA GLU 9 8.602 9.594 4.793
71 1HB GLU 9 1HB GLU 9 10.385 8.706 6.553
72 2HB GLU 9 2HB GLU 9 11.521 9.718 5.667
73 1HG GLU 9 1HG GLU 9 10.516 10.806 7.695
74 2HG GLU 9 2HG GLU 9 10.217 11.710 6.206
75 H THR 10 H THR 10 9.471 11.912 4.248
76 HA THR 10 HA THR 10 10.035 13.420 2.841
77 HB THR 10 HB THR 10 12.268 11.893 2.712
78 HG1 THR 10 HG1 THR 10 13.156 13.684 1.773
79 1HG2 THR 10 1HG2 THR 10 11.639 10.797 0.520
80 2HG2 THR 10 2HG2 THR 10 11.574 12.413 -0.220
81 3HG2 THR 10 3HG2 THR 10 13.085 11.777 0.454
82 H CYS 11 H CYS 11 9.293 10.366 1.104
83 HA CYS 11 HA CYS 11 8.474 11.713 -1.291
84 1HB CYS 11 1HB CYS 11 8.008 8.885 -0.319
85 2HB CYS 11 2HB CYS 11 7.576 9.483 -1.921
86 HA PRO 12 HA PRO 12 4.508 12.875 0.529
87 1HB PRO 12 1HB PRO 12 3.394 14.203 -1.597
88 2HB PRO 12 2HB PRO 12 4.530 14.938 -0.428
89 1HG PRO 12 1HG PRO 12 5.177 13.767 -3.154
90 2HG PRO 12 2HG PRO 12 5.737 15.319 -2.445
91 1HD PRO 12 1HD PRO 12 7.338 13.170 -2.354
92 2HD PRO 12 2HD PRO 12 7.175 14.212 -0.926
93 H TYR 13 H TYR 13 4.761 11.298 -2.727
94 HA TYR 13 HA TYR 13 2.047 10.498 -3.001
95 1HB TYR 13 1HB TYR 13 4.152 10.333 -4.571
96 2HB TYR 13 2HB TYR 13 4.441 8.801 -3.770
97 HD1 TYR 13 HD2 TYR 13 1.295 10.479 -5.089
98 HD2 TYR 13 HD1 TYR 13 4.038 7.178 -5.428
99 HE1 TYR 13 HE2 TYR 13 -0.240 9.387 -6.658
100 HE2 TYR 13 HE1 TYR 13 2.442 6.016 -6.938
101 HH TYR 13 HH TYR 13 -0.731 7.465 -7.799
102 H SER 14 H SER 14 4.550 9.221 -0.819
103 HA SER 14 HA SER 14 3.115 6.934 0.085
104 1HB SER 14 1HB SER 14 5.095 6.656 0.968
105 2HB SER 14 2HB SER 14 5.632 8.204 0.445
106 HG SER 14 HG SER 14 5.692 8.797 2.412
107 H HIS 15 H HIS 15 3.283 10.270 1.454
108 HA HIS 15 HA HIS 15 1.321 9.502 3.482
109 1HB HIS 15 1HB HIS 15 2.425 12.236 2.721
110 2HB HIS 15 2HB HIS 15 1.348 11.923 4.082
111 HD1 HIS 15 HD1 HIS 15 2.481 9.617 5.695
112 HD2 HIS 15 HD2 HIS 15 4.858 12.498 3.681
113 HE1 HIS 15 HE1 HIS 15 4.689 9.765 6.934
114 HE2 HIS 15 HE2 HIS 15 6.146 11.451 5.734
115 H ARG 16 H ARG 16 1.129 11.172 0.376
116 HA ARG 16 HA ARG 16 -1.612 11.925 0.394
117 1HB ARG 16 1HB ARG 16 0.249 10.880 -1.783
118 2HB ARG 16 2HB ARG 16 -1.397 11.393 -2.059
119 1HG ARG 16 1HG ARG 16 -0.894 13.679 -1.343
120 2HG ARG 16 2HG ARG 16 0.796 13.234 -1.099
121 1HD ARG 16 1HD ARG 16 0.479 14.295 -3.302
122 2HD ARG 16 2HD ARG 16 0.987 12.613 -3.496
123 HE ARG 16 HE ARG 16 -1.913 13.115 -3.495
124 1HH1 ARG 16 2HH2 ARG 16 0.910 12.873 -5.712
125 2HH1 ARG 16 1HH2 ARG 16 -0.132 12.651 -7.085
126 1HH2 ARG 16 2HH1 ARG 16 -3.127 12.556 -5.252
127 2HH2 ARG 16 1HH1 ARG 16 -2.428 12.328 -6.835
128 H ALA 17 H ALA 17 -0.077 8.686 -0.319
129 HA ALA 17 HA ALA 17 -2.564 7.423 -0.859
130 1HB ALA 17 1HB ALA 17 -0.272 6.553 -1.439
131 2HB ALA 17 2HB ALA 17 -0.039 6.144 0.260
132 3HB ALA 17 3HB ALA 17 -1.329 5.346 -0.667
133 H LYS 18 H LYS 18 -1.044 8.248 2.153
134 HA LYS 18 HA LYS 18 -2.795 6.570 3.813
135 1HB LYS 18 1HB LYS 18 -0.730 8.693 4.367
136 2HB LYS 18 2HB LYS 18 -2.090 8.616 5.482
137 1HG LYS 18 1HG LYS 18 -0.404 7.246 6.335
138 2HG LYS 18 2HG LYS 18 -1.702 6.189 5.781
139 1HD LYS 18 1HD LYS 18 -0.332 5.760 3.662
140 2HD LYS 18 2HD LYS 18 0.972 6.704 4.366
141 1HE LYS 18 1HE LYS 18 -0.317 4.167 5.500
142 2HE LYS 18 2HE LYS 18 1.333 4.303 4.866
143 1HZ LYS 18 2HZ LYS 18 0.451 5.845 7.247
144 2HZ LYS 18 3HZ LYS 18 1.094 4.355 7.386
145 3HZ LYS 18 1HZ LYS 18 1.969 5.552 6.757
146 H ALA 19 H ALA 19 -2.817 10.045 2.777
147 HA ALA 19 HA ALA 19 -5.244 10.692 4.037
148 1HB ALA 19 1HB ALA 19 -3.704 12.317 2.865
149 2HB ALA 19 2HB ALA 19 -4.297 11.705 1.307
150 3HB ALA 19 3HB ALA 19 -5.405 12.525 2.416
151 H LEU 20 H LEU 20 -4.799 8.663 1.230
152 HA LEU 20 HA LEU 20 -7.674 8.573 0.685
153 1HB LEU 20 1HB LEU 20 -6.006 8.212 -1.084
154 2HB LEU 20 2HB LEU 20 -5.327 6.824 -0.269
155 HG LEU 20 HG LEU 20 -6.780 6.468 -2.305
156 1HD1 LEU 20 3HD1 LEU 20 -6.197 4.571 -0.860
157 2HD1 LEU 20 1HD1 LEU 20 -7.709 4.819 0.054
158 3HD1 LEU 20 2HD1 LEU 20 -7.763 4.402 -1.662
159 1HD2 LEU 20 1HD2 LEU 20 -8.601 8.032 -1.623
160 2HD2 LEU 20 2HD2 LEU 20 -9.180 6.406 -2.060
161 3HD2 LEU 20 3HD2 LEU 20 -9.059 6.888 -0.355
162 H LEU 21 H LEU 21 -5.448 5.992 1.876
163 HA LEU 21 HA LEU 21 -7.558 4.265 2.599
164 1HB LEU 21 1HB LEU 21 -4.676 4.592 3.426
165 2HB LEU 21 2HB LEU 21 -5.674 3.473 4.324
166 HG LEU 21 HG LEU 21 -5.957 3.198 1.371
167 1HD1 LEU 21 1HD1 LEU 21 -3.346 2.549 2.760
168 2HD1 LEU 21 2HD1 LEU 21 -3.824 1.978 1.143
169 3HD1 LEU 21 3HD1 LEU 21 -3.616 3.710 1.432
170 1HD2 LEU 21 3HD2 LEU 21 -5.455 1.219 3.641
171 2HD2 LEU 21 1HD2 LEU 21 -7.032 1.639 2.939
172 3HD2 LEU 21 2HD2 LEU 21 -5.827 0.786 1.964
173 H SER 22 H SER 22 -6.100 6.845 4.506
174 HA SER 22 HA SER 22 -7.442 6.218 6.957
175 1HB SER 22 1HB SER 22 -5.274 7.532 6.631
176 2HB SER 22 2HB SER 22 -6.216 8.824 5.879
177 HG SER 22 HG SER 22 -5.868 9.456 7.855
178 H SER 23 H SER 23 -8.204 8.514 4.135
179 HA SER 23 HA SER 23 -10.552 9.512 5.508
180 1HB SER 23 1HB SER 23 -9.496 10.706 3.672
181 2HB SER 23 2HB SER 23 -9.828 9.363 2.561
182 HG SER 23 HG SER 23 -11.376 11.433 3.222
183 H LYS 24 H LYS 24 -9.867 6.712 3.405
184 HA LYS 24 HA LYS 24 -12.627 5.805 3.274
185 1HB LYS 24 1HB LYS 24 -9.998 4.357 2.754
186 2HB LYS 24 2HB LYS 24 -11.590 3.751 2.293
187 1HG LYS 24 1HG LYS 24 -10.451 6.380 1.255
188 2HG LYS 24 2HG LYS 24 -10.218 4.826 0.448
189 1HD LYS 24 1HD LYS 24 -12.588 4.613 0.091
190 2HD LYS 24 2HD LYS 24 -12.936 6.069 1.023
191 1HE LYS 24 1HE LYS 24 -11.810 7.478 -0.577
192 2HE LYS 24 2HE LYS 24 -11.170 6.062 -1.438
193 1HZ LYS 24 1HZ LYS 24 -14.038 6.743 -1.286
194 2HZ LYS 24 2HZ LYS 24 -13.064 6.975 -2.591
195 3HZ LYS 24 3HZ LYS 24 -13.344 5.452 -2.048
196 H GLY 25 H GLY 25 -10.559 5.927 5.913
197 1HA GLY 25 1HA GLY 25 -10.736 5.090 7.998
198 2HA GLY 25 2HA GLY 25 -12.387 4.631 7.540
199 H VAL 26 H VAL 26 -9.218 3.413 6.303
200 HA VAL 26 HA VAL 26 -10.177 0.663 7.057
201 HB VAL 26 HB VAL 26 -7.919 1.125 5.153
202 1HG1 VAL 26 3HG1 VAL 26 -8.393 -1.155 5.969
203 2HG1 VAL 26 1HG1 VAL 26 -10.047 -1.038 5.323
204 3HG1 VAL 26 2HG1 VAL 26 -8.647 -1.018 4.230
205 1HG2 VAL 26 3HG2 VAL 26 -10.869 1.191 4.353
206 2HG2 VAL 26 1HG2 VAL 26 -9.679 2.487 4.105
207 3HG2 VAL 26 2HG2 VAL 26 -9.529 0.972 3.214
208 H SER 27 H SER 27 -8.805 -0.620 8.270
209 HA SER 27 HA SER 27 -6.611 0.658 9.756
210 1HB SER 27 1HB SER 27 -7.688 -2.196 9.665
211 2HB SER 27 2HB SER 27 -6.373 -1.650 10.729
212 HG SER 27 HG SER 27 -7.808 -0.170 11.657
213 H PHE 28 H PHE 28 -4.481 0.573 9.090
214 HA PHE 28 HA PHE 28 -3.668 -1.424 7.077
215 1HB PHE 28 1HB PHE 28 -2.472 0.340 5.790
216 2HB PHE 28 2HB PHE 28 -4.213 0.403 5.670
217 HD1 PHE 28 HD2 PHE 28 -1.281 2.075 7.356
218 HD2 PHE 28 HD1 PHE 28 -5.442 2.319 6.285
219 HE1 PHE 28 HE2 PHE 28 -1.360 4.443 8.108
220 HE2 PHE 28 HE1 PHE 28 -5.519 4.668 7.057
221 HZ PHE 28 HZ PHE 28 -3.460 5.745 7.965
222 H GLN 29 H GLN 29 -1.441 -1.742 6.963
223 HA GLN 29 HA GLN 29 0.054 -1.220 9.423
224 1HB GLN 29 1HB GLN 29 -0.514 -3.617 9.101
225 2HB GLN 29 2HB GLN 29 -0.014 -3.553 7.444
226 1HG GLN 29 1HG GLN 29 1.663 -4.688 8.740
227 2HG GLN 29 2HG GLN 29 2.330 -3.226 8.061
228 1HE2 GLN 29 2HE2 GLN 29 3.558 -3.592 11.574
229 2HE2 GLN 29 1HE2 GLN 29 3.456 -4.686 10.200
230 H GLU 30 H GLU 30 1.121 0.547 8.790
231 HA GLU 30 HA GLU 30 2.309 0.851 6.168
232 1HB GLU 30 1HB GLU 30 2.072 2.668 8.038
233 2HB GLU 30 2HB GLU 30 3.645 2.008 8.575
234 1HG GLU 30 1HG GLU 30 4.496 2.398 6.220
235 2HG GLU 30 2HG GLU 30 2.979 3.239 5.892
236 H LEU 31 H LEU 31 4.357 0.367 5.468
237 HA LEU 31 HA LEU 31 6.276 -1.094 7.211
238 1HB LEU 31 1HB LEU 31 5.807 -1.451 4.222
239 2HB LEU 31 2HB LEU 31 7.200 -2.035 5.106
240 HG LEU 31 HG LEU 31 5.815 -3.817 4.752
241 1HD1 LEU 31 3HD1 LEU 31 6.761 -3.636 7.095
242 2HD1 LEU 31 1HD1 LEU 31 5.154 -3.124 7.632
243 3HD1 LEU 31 2HD1 LEU 31 5.365 -4.729 6.907
244 1HD2 LEU 31 1HD2 LEU 31 3.717 -2.638 4.254
245 2HD2 LEU 31 2HD2 LEU 31 3.537 -4.087 5.268
246 3HD2 LEU 31 3HD2 LEU 31 3.428 -2.489 6.003
247 HA PRO 32 HA PRO 32 7.998 2.965 5.859
248 1HB PRO 32 1HB PRO 32 9.668 3.272 8.048
249 2HB PRO 32 2HB PRO 32 8.021 3.894 7.950
250 1HG PRO 32 1HG PRO 32 9.013 1.338 9.236
251 2HG PRO 32 2HG PRO 32 7.810 2.498 9.872
252 1HD PRO 32 1HD PRO 32 7.097 0.161 8.663
253 2HD PRO 32 2HD PRO 32 6.121 1.645 8.461
254 H ILE 33 H ILE 33 9.148 2.112 4.197
255 HA ILE 33 HA ILE 33 11.577 0.471 4.706
256 HB ILE 33 HB ILE 33 11.792 0.595 2.208
257 1HG1 ILE 33 1HG1 ILE 33 8.845 1.140 1.972
258 2HG1 ILE 33 2HG1 ILE 33 9.935 2.495 2.142
259 1HG2 ILE 33 3HG2 ILE 33 9.417 -0.771 3.478
260 2HG2 ILE 33 1HG2 ILE 33 10.162 -1.210 1.911
261 3HG2 ILE 33 2HG2 ILE 33 11.095 -1.357 3.415
262 1HD1 ILE 33 3HD1 ILE 33 11.318 1.539 0.220
263 2HD1 ILE 33 1HD1 ILE 33 9.886 0.514 -0.102
264 3HD1 ILE 33 2HD1 ILE 33 9.787 2.290 -0.145
265 H ASP 34 H ASP 34 11.201 3.449 5.610
266 HA ASP 34 HA ASP 34 12.961 4.816 3.780
267 1HB ASP 34 1HB ASP 34 11.506 6.189 5.136
268 2HB ASP 34 2HB ASP 34 12.180 5.544 6.629
269 H GLY 35 H GLY 35 13.501 3.756 7.191
270 1HA GLY 35 1HA GLY 35 16.414 3.632 6.758
271 2HA GLY 35 2HA GLY 35 15.530 3.531 8.289
272 H ASN 36 H ASN 36 14.956 1.672 5.278
273 HA ASN 36 HA ASN 36 16.036 -0.801 6.399
274 1HB ASN 36 1HB ASN 36 13.918 -0.898 7.488
275 2HB ASN 36 2HB ASN 36 13.057 -0.333 6.056
276 1HD2 ASN 36 2HD2 ASN 36 12.381 -3.706 5.344
277 2HD2 ASN 36 1HD2 ASN 36 11.771 -2.094 5.492
278 H ALA 37 H ALA 37 16.875 -1.942 4.718
279 HA ALA 37 HA ALA 37 15.691 -1.539 2.023
280 1HB ALA 37 3HB ALA 37 18.017 -0.812 2.188
281 2HB ALA 37 1HB ALA 37 18.497 -2.429 2.761
282 3HB ALA 37 2HB ALA 37 17.845 -2.218 1.125
283 H ALA 38 H ALA 38 16.112 -3.855 4.569
284 HA ALA 38 HA ALA 38 16.315 -6.211 2.973
285 1HB ALA 38 3HB ALA 38 15.314 -5.826 5.831
286 2HB ALA 38 1HB ALA 38 15.610 -7.397 5.069
287 3HB ALA 38 2HB ALA 38 16.950 -6.264 5.312
288 H LYS 39 H LYS 39 13.406 -5.202 4.834
289 HA LYS 39 HA LYS 39 11.709 -6.850 3.164
290 1HB LYS 39 1HB LYS 39 11.180 -6.281 5.481
291 2HB LYS 39 2HB LYS 39 10.897 -4.597 5.064
292 1HG LYS 39 1HG LYS 39 8.842 -4.962 4.257
293 2HG LYS 39 2HG LYS 39 9.292 -6.469 3.462
294 1HD LYS 39 1HD LYS 39 7.605 -6.859 5.130
295 2HD LYS 39 2HD LYS 39 9.100 -7.696 5.558
296 1HE LYS 39 1HE LYS 39 9.604 -5.983 7.252
297 2HE LYS 39 2HE LYS 39 8.179 -5.048 6.764
298 1HZ LYS 39 2HZ LYS 39 6.817 -6.986 7.427
299 2HZ LYS 39 3HZ LYS 39 8.165 -7.764 7.940
300 3HZ LYS 39 1HZ LYS 39 7.685 -6.408 8.704
301 H ARG 40 H ARG 40 12.811 -3.577 2.755
302 HA ARG 40 HA ARG 40 11.084 -2.786 0.633
303 1HB ARG 40 1HB ARG 40 12.994 -1.448 1.744
304 2HB ARG 40 2HB ARG 40 14.099 -2.284 0.667
305 1HG ARG 40 1HG ARG 40 11.733 -0.701 -0.307
306 2HG ARG 40 2HG ARG 40 13.302 0.036 0.012
307 1HD ARG 40 1HD ARG 40 12.668 -2.031 -2.133
308 2HD ARG 40 2HD ARG 40 12.947 -0.319 -2.355
309 HE ARG 40 HE ARG 40 15.075 -2.110 -1.234
310 1HH1 ARG 40 2HH2 ARG 40 14.181 0.404 -3.695
311 2HH1 ARG 40 1HH2 ARG 40 15.786 0.408 -4.322
312 1HH2 ARG 40 2HH1 ARG 40 17.168 -1.996 -2.217
313 2HH2 ARG 40 1HH1 ARG 40 17.373 -0.924 -3.576
314 H GLU 41 H GLU 41 14.154 -4.694 0.473
315 HA GLU 41 HA GLU 41 14.017 -5.013 -2.326
316 1HB GLU 41 1HB GLU 41 15.995 -5.079 -0.802
317 2HB GLU 41 2HB GLU 41 15.497 -6.685 -0.262
318 1HG GLU 41 1HG GLU 41 15.841 -7.566 -2.526
319 2HG GLU 41 2HG GLU 41 16.091 -5.925 -3.160
320 H GLU 42 H GLU 42 12.704 -7.004 0.362
321 HA GLU 42 HA GLU 42 11.996 -9.231 -1.325
322 1HB GLU 42 1HB GLU 42 12.097 -9.257 1.212
323 2HB GLU 42 2HB GLU 42 10.694 -8.214 1.240
324 1HG GLU 42 1HG GLU 42 10.007 -10.475 1.657
325 2HG GLU 42 2HG GLU 42 9.324 -9.941 0.138
326 H MET 43 H MET 43 10.275 -6.260 -0.338
327 HA MET 43 HA MET 43 7.783 -6.801 -1.455
328 1HB MET 43 1HB MET 43 8.519 -4.912 0.054
329 2HB MET 43 2HB MET 43 9.164 -4.081 -1.350
330 1HG MET 43 1HG MET 43 6.274 -4.879 -0.908
331 2HG MET 43 2HG MET 43 6.964 -3.292 -0.603
332 1HE MET 43 2HE MET 43 8.046 -1.716 -2.542
333 2HE MET 43 3HE MET 43 8.885 -3.043 -3.385
334 3HE MET 43 1HE MET 43 7.761 -2.007 -4.272
335 H ILE 44 H ILE 44 10.753 -5.706 -3.143
336 HA ILE 44 HA ILE 44 9.646 -5.000 -5.632
337 HB ILE 44 HB ILE 44 12.234 -6.493 -5.097
338 1HG1 ILE 44 1HG1 ILE 44 11.807 -3.486 -5.103
339 2HG1 ILE 44 2HG1 ILE 44 12.158 -4.489 -3.710
340 1HG2 ILE 44 2HG2 ILE 44 11.561 -6.449 -7.496
341 2HG2 ILE 44 3HG2 ILE 44 11.425 -4.683 -7.420
342 3HG2 ILE 44 1HG2 ILE 44 13.000 -5.488 -7.240
343 1HD1 ILE 44 2HD1 ILE 44 14.347 -5.138 -4.733
344 2HD1 ILE 44 3HD1 ILE 44 14.054 -3.929 -6.001
345 3HD1 ILE 44 1HD1 ILE 44 14.188 -3.418 -4.317
346 H LYS 45 H LYS 45 10.801 -8.177 -4.446
347 HA LYS 45 HA LYS 45 9.860 -9.563 -6.802
348 1HB LYS 45 1HB LYS 45 11.899 -10.023 -5.159
349 2HB LYS 45 2HB LYS 45 10.710 -10.962 -4.251
350 1HG LYS 45 1HG LYS 45 10.289 -12.367 -6.210
351 2HG LYS 45 2HG LYS 45 11.244 -11.298 -7.250
352 1HD LYS 45 1HD LYS 45 13.276 -11.859 -5.952
353 2HD LYS 45 2HD LYS 45 12.297 -12.932 -4.923
354 1HE LYS 45 1HE LYS 45 11.674 -14.276 -6.921
355 2HE LYS 45 2HE LYS 45 12.640 -13.189 -7.936
356 1HZ LYS 45 1HZ LYS 45 14.582 -13.845 -6.701
357 2HZ LYS 45 2HZ LYS 45 13.724 -14.901 -5.785
358 3HZ LYS 45 3HZ LYS 45 13.883 -15.139 -7.418
359 H ARG 46 H ARG 46 8.130 -8.397 -4.167
360 HA ARG 46 HA ARG 46 6.068 -10.533 -4.579
361 1HB ARG 46 1HB ARG 46 6.021 -8.428 -2.406
362 2HB ARG 46 2HB ARG 46 4.942 -9.812 -2.625
363 1HG ARG 46 1HG ARG 46 7.306 -11.147 -2.557
364 2HG ARG 46 2HG ARG 46 7.757 -9.707 -1.640
365 1HD ARG 46 1HD ARG 46 7.130 -11.324 -0.068
366 2HD ARG 46 2HD ARG 46 5.784 -10.169 -0.112
367 HE ARG 46 HE ARG 46 4.996 -12.050 -1.930
368 1HH1 ARG 46 2HH2 ARG 46 6.340 -12.517 1.354
369 2HH1 ARG 46 1HH2 ARG 46 5.357 -13.915 1.654
370 1HH2 ARG 46 2HH1 ARG 46 3.758 -14.003 -1.464
371 2HH2 ARG 46 1HH1 ARG 46 3.791 -14.617 0.144
372 H SER 47 H SER 47 6.850 -7.416 -5.765
373 HA SER 47 HA SER 47 3.958 -6.884 -6.359
374 1HB SER 47 1HB SER 47 4.641 -4.502 -6.356
375 2HB SER 47 2HB SER 47 4.888 -5.272 -4.778
376 HG SER 47 HG SER 47 7.036 -5.263 -5.100
377 H GLY 48 H GLY 48 7.252 -6.982 -7.712
378 1HA GLY 48 1HA GLY 48 7.908 -6.971 -9.921
379 2HA GLY 48 2HA GLY 48 6.251 -6.643 -10.453
380 H ARG 49 H ARG 49 7.309 -4.536 -7.835
381 HA ARG 49 HA ARG 49 8.279 -2.464 -9.726
382 1HB ARG 49 1HB ARG 49 6.081 -2.143 -7.638
383 2HB ARG 49 2HB ARG 49 7.073 -0.806 -8.237
384 1HG ARG 49 1HG ARG 49 6.344 -1.309 -10.563
385 2HG ARG 49 2HG ARG 49 5.216 -2.527 -9.937
386 1HD ARG 49 1HD ARG 49 3.919 -0.905 -8.802
387 2HD ARG 49 2HD ARG 49 5.207 0.303 -8.831
388 HE ARG 49 HE ARG 49 3.298 -0.329 -10.964
389 1HH1 ARG 49 2HH2 ARG 49 6.224 1.587 -10.084
390 2HH1 ARG 49 1HH2 ARG 49 6.005 2.667 -11.395
391 1HH2 ARG 49 2HH1 ARG 49 3.081 1.056 -12.607
392 2HH2 ARG 49 1HH1 ARG 49 4.138 2.403 -12.888
393 H THR 50 H THR 50 9.933 -1.248 -8.880
394 HA THR 50 HA THR 50 10.915 -2.005 -6.196
395 HB THR 50 HB THR 50 11.996 -0.560 -8.573
396 HG1 THR 50 HG1 THR 50 12.273 -2.740 -8.392
397 1HG2 THR 50 2HG2 THR 50 13.270 -0.562 -5.801
398 2HG2 THR 50 3HG2 THR 50 14.104 -0.118 -7.303
399 3HG2 THR 50 1HG2 THR 50 12.772 0.873 -6.715
400 H THR 51 H THR 51 8.918 0.449 -7.752
401 HA THR 51 HA THR 51 9.672 2.535 -5.946
402 HB THR 51 HB THR 51 7.961 3.773 -7.209
403 HG1 THR 51 HG1 THR 51 6.493 2.371 -7.839
404 1HG2 THR 51 1HG2 THR 51 10.289 3.629 -8.124
405 2HG2 THR 51 2HG2 THR 51 9.840 2.185 -9.048
406 3HG2 THR 51 3HG2 THR 51 9.084 3.743 -9.410
407 H VAL 52 H VAL 52 8.580 3.387 -4.330
408 HA VAL 52 HA VAL 52 6.109 2.029 -3.322
409 HB VAL 52 HB VAL 52 6.402 3.953 -1.470
410 1HG1 VAL 52 3HG1 VAL 52 6.333 1.550 -1.133
411 2HG1 VAL 52 1HG1 VAL 52 8.063 1.449 -1.549
412 3HG1 VAL 52 2HG1 VAL 52 7.518 2.365 -0.104
413 1HG2 VAL 52 1HG2 VAL 52 8.343 5.034 -2.501
414 2HG2 VAL 52 2HG2 VAL 52 8.603 4.461 -0.847
415 3HG2 VAL 52 3HG2 VAL 52 9.293 3.544 -2.198
416 HA PRO 53 HA PRO 53 4.582 2.979 -1.543
417 1HB PRO 53 1HB PRO 53 1.951 3.402 -1.263
418 2HB PRO 53 2HB PRO 53 3.127 4.704 -0.891
419 1HG PRO 53 1HG PRO 53 1.530 4.295 -3.433
420 2HG PRO 53 2HG PRO 53 1.752 5.812 -2.492
421 1HD PRO 53 1HD PRO 53 3.240 5.114 -4.718
422 2HD PRO 53 2HD PRO 53 3.862 6.164 -3.402
423 H GLN 54 H GLN 54 3.333 0.950 -1.288
424 HA GLN 54 HA GLN 54 2.018 -0.128 -3.683
425 1HB GLN 54 1HB GLN 54 4.316 -1.517 -2.210
426 2HB GLN 54 2HB GLN 54 3.228 -2.315 -3.336
427 1HG GLN 54 1HG GLN 54 5.176 -0.076 -3.978
428 2HG GLN 54 2HG GLN 54 5.347 -1.763 -4.445
429 1HE2 GLN 54 2HE2 GLN 54 3.683 0.583 -7.098
430 2HE2 GLN 54 1HE2 GLN 54 5.104 0.769 -6.051
431 H ILE 55 H ILE 55 0.219 -1.581 -2.970
432 HA ILE 55 HA ILE 55 0.036 -1.791 -0.048
433 HB ILE 55 HB ILE 55 -2.147 -1.195 -2.092
434 1HG1 ILE 55 1HG1 ILE 55 -2.359 0.789 -0.247
435 2HG1 ILE 55 2HG1 ILE 55 -0.646 0.485 -0.078
436 1HG2 ILE 55 1HG2 ILE 55 -2.944 -2.716 -0.256
437 2HG2 ILE 55 2HG2 ILE 55 -2.419 -1.512 0.931
438 3HG2 ILE 55 3HG2 ILE 55 -3.712 -1.143 -0.218
439 1HD1 ILE 55 2HD1 ILE 55 -2.101 1.227 -2.656
440 2HD1 ILE 55 3HD1 ILE 55 -1.140 2.323 -1.649
441 3HD1 ILE 55 1HD1 ILE 55 -0.347 1.003 -2.517
442 H PHE 56 H PHE 56 -0.788 -3.745 0.643
443 HA PHE 56 HA PHE 56 -1.371 -5.855 -1.324
444 1HB PHE 56 1HB PHE 56 0.419 -6.178 1.132
445 2HB PHE 56 2HB PHE 56 -0.257 -7.498 0.204
446 HD1 PHE 56 HD1 PHE 56 2.054 -4.534 -0.098
447 HD2 PHE 56 HD2 PHE 56 0.939 -8.424 -1.600
448 HE1 PHE 56 HE1 PHE 56 4.048 -4.540 -1.570
449 HE2 PHE 56 HE2 PHE 56 2.940 -8.447 -3.022
450 HZ PHE 56 HZ PHE 56 4.491 -6.499 -3.066
451 H ILE 57 H ILE 57 -3.132 -7.143 -0.510
452 HA ILE 57 HA ILE 57 -3.964 -6.654 2.284
453 HB ILE 57 HB ILE 57 -5.903 -6.711 -0.074
454 1HG1 ILE 57 1HG1 ILE 57 -5.306 -4.433 1.858
455 2HG1 ILE 57 2HG1 ILE 57 -4.694 -4.485 0.231
456 1HG2 ILE 57 1HG2 ILE 57 -6.298 -6.538 2.960
457 2HG2 ILE 57 2HG2 ILE 57 -7.597 -6.311 1.777
458 3HG2 ILE 57 3HG2 ILE 57 -6.791 -7.865 1.893
459 1HD1 ILE 57 2HD1 ILE 57 -7.052 -4.536 -0.644
460 2HD1 ILE 57 3HD1 ILE 57 -7.609 -4.233 1.022
461 3HD1 ILE 57 1HD1 ILE 57 -6.579 -3.049 0.205
462 H ASP 58 H ASP 58 -4.108 -8.618 3.231
463 HA ASP 58 HA ASP 58 -3.814 -10.866 3.515
464 1HB ASP 58 1HB ASP 58 -5.960 -10.717 1.405
465 2HB ASP 58 2HB ASP 58 -5.626 -12.152 2.364
466 H ALA 59 H ALA 59 -1.905 -9.815 1.850
467 HA ALA 59 HA ALA 59 -0.093 -10.336 0.663
468 1HB ALA 59 2HB ALA 59 -0.180 -12.580 1.724
469 2HB ALA 59 3HB ALA 59 -1.099 -13.177 0.318
470 3HB ALA 59 1HB ALA 59 0.550 -12.574 0.111
471 H GLN 60 H GLN 60 -3.163 -10.274 -0.744
472 HA GLN 60 HA GLN 60 -2.306 -10.630 -3.528
473 1HB GLN 60 1HB GLN 60 -4.856 -9.829 -2.133
474 2HB GLN 60 2HB GLN 60 -4.598 -9.319 -3.796
475 1HG GLN 60 1HG GLN 60 -4.354 -11.558 -4.580
476 2HG GLN 60 2HG GLN 60 -4.207 -12.206 -2.951
477 1HE2 GLN 60 2HE2 GLN 60 -7.735 -12.393 -2.404
478 2HE2 GLN 60 1HE2 GLN 60 -6.112 -12.701 -1.784
479 H HIS 61 H HIS 61 -0.955 -9.218 -4.385
480 HA HIS 61 HA HIS 61 -0.450 -6.555 -3.346
481 1HB HIS 61 1HB HIS 61 1.218 -7.930 -4.672
482 2HB HIS 61 2HB HIS 61 0.179 -7.763 -6.085
483 HD1 HIS 61 HD1 HIS 61 1.163 -5.923 -7.659
484 HD2 HIS 61 HD2 HIS 61 1.451 -5.075 -3.507
485 HE1 HIS 61 HE1 HIS 61 2.411 -3.660 -7.397
486 HE2 HIS 61 HE2 HIS 61 2.391 -3.058 -5.007
487 H ILE 62 H ILE 62 -1.550 -4.624 -3.882
488 HA ILE 62 HA ILE 62 -3.832 -4.862 -5.725
489 HB ILE 62 HB ILE 62 -2.874 -2.344 -4.333
490 1HG1 ILE 62 1HG1 ILE 62 -2.878 -3.723 -2.510
491 2HG1 ILE 62 2HG1 ILE 62 -4.348 -2.790 -2.428
492 1HG2 ILE 62 3HG2 ILE 62 -4.666 -2.166 -6.051
493 2HG2 ILE 62 1HG2 ILE 62 -5.653 -3.309 -5.125
494 3HG2 ILE 62 2HG2 ILE 62 -5.242 -1.723 -4.444
495 1HD1 ILE 62 1HD1 ILE 62 -4.362 -5.662 -3.477
496 2HD1 ILE 62 2HD1 ILE 62 -4.678 -5.222 -1.811
497 3HD1 ILE 62 3HD1 ILE 62 -5.755 -4.635 -3.087
498 H GLY 63 H GLY 63 -1.015 -2.755 -5.229
499 1HA GLY 63 1HA GLY 63 0.372 -2.437 -7.475
500 2HA GLY 63 2HA GLY 63 -1.144 -1.569 -7.841
501 H GLY 64 H GLY 64 -0.207 0.502 -7.601
502 1HA GLY 64 1HA GLY 64 0.888 1.321 -4.987
503 2HA GLY 64 2HA GLY 64 0.901 2.243 -6.497
504 H TYR 65 H TYR 65 0.088 3.934 -5.314
505 HA TYR 65 HA TYR 65 -2.264 3.991 -3.697
506 1HB TYR 65 1HB TYR 65 -0.393 5.490 -3.353
507 2HB TYR 65 2HB TYR 65 -0.420 5.977 -5.024
508 HD1 TYR 65 HD2 TYR 65 -3.777 6.114 -3.361
509 HD2 TYR 65 HD1 TYR 65 0.006 8.065 -4.033
510 HE1 TYR 65 HE2 TYR 65 -4.807 8.300 -2.891
511 HE2 TYR 65 HE1 TYR 65 -1.035 10.237 -3.766
512 HH TYR 65 HH TYR 65 -4.365 10.729 -2.593
513 H ASP 66 H ASP 66 -1.699 5.497 -7.005
514 HA ASP 66 HA ASP 66 -4.478 6.133 -7.290
515 1HB ASP 66 1HB ASP 66 -2.177 5.936 -9.231
516 2HB ASP 66 2HB ASP 66 -3.835 6.157 -9.806
517 H ASP 67 H ASP 67 -2.684 3.177 -7.844
518 HA ASP 67 HA ASP 67 -4.714 1.796 -9.377
519 1HB ASP 67 1HB ASP 67 -2.645 0.590 -7.515
520 2HB ASP 67 2HB ASP 67 -3.611 -0.269 -8.692
521 H LEU 68 H LEU 68 -3.899 1.964 -5.828
522 HA LEU 68 HA LEU 68 -6.131 0.370 -5.060
523 1HB LEU 68 1HB LEU 68 -4.235 0.774 -3.542
524 2HB LEU 68 2HB LEU 68 -4.658 2.484 -3.442
525 HG LEU 68 HG LEU 68 -6.903 1.854 -2.448
526 1HD1 LEU 68 2HD1 LEU 68 -5.702 -0.948 -2.327
527 2HD1 LEU 68 3HD1 LEU 68 -7.178 -0.414 -1.519
528 3HD1 LEU 68 1HD1 LEU 68 -7.135 -0.469 -3.274
529 1HD2 LEU 68 3HD2 LEU 68 -5.049 2.497 -1.018
530 2HD2 LEU 68 1HD2 LEU 68 -6.146 1.325 -0.270
531 3HD2 LEU 68 2HD2 LEU 68 -4.568 0.788 -0.891
532 H TYR 69 H TYR 69 -5.794 3.867 -5.272
533 HA TYR 69 HA TYR 69 -8.233 4.781 -4.190
534 1HB TYR 69 1HB TYR 69 -6.318 6.196 -5.027
535 2HB TYR 69 2HB TYR 69 -6.693 5.759 -6.675
536 HD1 TYR 69 HD2 TYR 69 -7.858 7.709 -3.753
537 HD2 TYR 69 HD1 TYR 69 -8.349 6.967 -7.959
538 HE1 TYR 69 HE2 TYR 69 -9.335 9.679 -3.902
539 HE2 TYR 69 HE1 TYR 69 -9.754 8.991 -8.150
540 HH TYR 69 HH TYR 69 -10.770 10.777 -7.006
541 H ALA 70 H ALA 70 -7.628 3.775 -7.599
542 HA ALA 70 HA ALA 70 -10.417 4.045 -8.357
543 1HB ALA 70 2HB ALA 70 -8.552 4.075 -10.000
544 2HB ALA 70 3HB ALA 70 -8.203 2.372 -9.608
545 3HB ALA 70 1HB ALA 70 -9.750 2.815 -10.358
546 H LEU 71 H LEU 71 -8.383 1.357 -7.169
547 HA LEU 71 HA LEU 71 -10.334 -0.696 -7.568
548 1HB LEU 71 1HB LEU 71 -7.752 -0.793 -7.065
549 2HB LEU 71 2HB LEU 71 -8.232 -0.784 -5.385
550 HG LEU 71 HG LEU 71 -7.742 -2.988 -6.194
551 1HD1 LEU 71 2HD1 LEU 71 -9.448 -2.764 -4.491
552 2HD1 LEU 71 3HD1 LEU 71 -10.671 -2.915 -5.790
553 3HD1 LEU 71 1HD1 LEU 71 -9.549 -4.251 -5.452
554 1HD2 LEU 71 3HD2 LEU 71 -8.338 -2.653 -8.608
555 2HD2 LEU 71 1HD2 LEU 71 -8.922 -4.170 -7.914
556 3HD2 LEU 71 2HD2 LEU 71 -10.048 -2.823 -8.166
557 H ASP 72 H ASP 72 -9.711 1.526 -4.831
558 HA ASP 72 HA ASP 72 -11.708 0.511 -3.036
559 1HB ASP 72 1HB ASP 72 -10.049 2.211 -2.285
560 2HB ASP 72 2HB ASP 72 -10.691 3.358 -3.437
561 H ALA 73 H ALA 73 -11.728 3.190 -5.399
562 HA ALA 73 HA ALA 73 -14.413 3.835 -5.060
563 1HB ALA 73 3HB ALA 73 -12.617 5.198 -6.176
564 2HB ALA 73 1HB ALA 73 -12.822 4.198 -7.628
565 3HB ALA 73 2HB ALA 73 -14.169 5.199 -7.047
566 H ARG 74 H ARG 74 -13.085 1.400 -7.149
567 HA ARG 74 HA ARG 74 -15.562 0.798 -8.531
568 1HB ARG 74 1HB ARG 74 -14.324 -0.675 -9.730
569 2HB ARG 74 2HB ARG 74 -12.999 0.219 -9.074
570 1HG ARG 74 1HG ARG 74 -12.193 -1.854 -8.518
571 2HG ARG 74 2HG ARG 74 -13.247 -1.715 -7.128
572 1HD ARG 74 1HD ARG 74 -15.092 -2.693 -8.578
573 2HD ARG 74 2HD ARG 74 -13.869 -3.032 -9.789
574 HE ARG 74 HE ARG 74 -12.740 -4.440 -7.986
575 1HH1 ARG 74 2HH2 ARG 74 -16.265 -4.161 -8.430
576 2HH1 ARG 74 1HH2 ARG 74 -16.607 -5.555 -7.434
577 1HH2 ARG 74 2HH1 ARG 74 -13.240 -6.350 -6.724
578 2HH2 ARG 74 1HH1 ARG 74 -14.896 -6.859 -6.624
579 H GLY 75 H GLY 75 -14.443 0.143 -5.339
580 1HA GLY 75 1HA GLY 75 -15.589 -0.810 -3.592
581 2HA GLY 75 2HA GLY 75 -16.762 -1.526 -4.704
582 H GLY 76 H GLY 76 -13.125 -1.955 -5.113
583 1HA GLY 76 1HA GLY 76 -13.628 -4.852 -4.705
584 2HA GLY 76 2HA GLY 76 -12.410 -4.116 -5.731
585 H LEU 77 H LEU 77 -11.955 -2.112 -3.338
586 HA LEU 77 HA LEU 77 -10.009 -3.670 -1.811
587 1HB LEU 77 1HB LEU 77 -9.887 -1.181 -2.208
588 2HB LEU 77 2HB LEU 77 -11.319 -0.958 -1.234
589 HG LEU 77 HG LEU 77 -8.541 -1.721 -0.343
590 1HD1 LEU 77 1HD1 LEU 77 -9.223 0.670 -0.716
591 2HD1 LEU 77 2HD1 LEU 77 -10.497 0.466 0.499
592 3HD1 LEU 77 3HD1 LEU 77 -8.790 0.336 0.975
593 1HD2 LEU 77 2HD2 LEU 77 -11.012 -1.867 1.427
594 2HD2 LEU 77 3HD2 LEU 77 -9.763 -3.119 1.161
595 3HD2 LEU 77 1HD2 LEU 77 -9.364 -1.663 2.036
596 H ASP 78 H ASP 78 -13.325 -2.440 -1.431
597 HA ASP 78 HA ASP 78 -13.795 -2.951 1.191
598 1HB ASP 78 1HB ASP 78 -15.278 -1.746 -0.328
599 2HB ASP 78 2HB ASP 78 -15.797 -3.228 -1.097
600 HA PRO 79 HA PRO 79 -15.075 -7.544 0.601
601 1HB PRO 79 1HB PRO 79 -14.615 -8.894 -1.743
602 2HB PRO 79 2HB PRO 79 -16.100 -7.953 -1.441
603 1HG PRO 79 1HG PRO 79 -13.589 -7.057 -2.899
604 2HG PRO 79 2HG PRO 79 -15.291 -6.938 -3.457
605 1HD PRO 79 1HD PRO 79 -14.091 -4.834 -2.284
606 2HD PRO 79 2HD PRO 79 -15.785 -5.241 -1.893
607 H LEU 80 H LEU 80 -12.036 -6.262 -0.572
608 HA LEU 80 HA LEU 80 -10.545 -8.763 -0.073
609 1HB LEU 80 1HB LEU 80 -9.881 -6.035 -1.149
610 2HB LEU 80 2HB LEU 80 -8.610 -6.886 -0.289
611 HG LEU 80 HG LEU 80 -10.142 -8.150 -2.587
612 1HD1 LEU 80 1HD1 LEU 80 -7.459 -6.693 -2.617
613 2HD1 LEU 80 2HD1 LEU 80 -8.163 -7.610 -3.965
614 3HD1 LEU 80 3HD1 LEU 80 -8.960 -6.138 -3.385
615 1HD2 LEU 80 1HD2 LEU 80 -7.453 -8.842 -1.279
616 2HD2 LEU 80 2HD2 LEU 80 -8.947 -9.772 -1.098
617 3HD2 LEU 80 3HD2 LEU 80 -8.178 -9.664 -2.676
618 H LEU 81 H LEU 81 -11.408 -5.736 1.544
619 HA LEU 81 HA LEU 81 -9.540 -5.691 3.582
620 1HB LEU 81 1HB LEU 81 -11.189 -3.935 3.174
621 2HB LEU 81 2HB LEU 81 -12.493 -4.959 3.730
622 HG LEU 81 HG LEU 81 -11.649 -3.139 5.270
623 1HD1 LEU 81 1HD1 LEU 81 -13.095 -4.987 6.068
624 2HD1 LEU 81 2HD1 LEU 81 -11.645 -5.882 6.571
625 3HD1 LEU 81 3HD1 LEU 81 -12.027 -4.319 7.307
626 1HD2 LEU 81 1HD2 LEU 81 -9.234 -3.547 4.932
627 2HD2 LEU 81 2HD2 LEU 81 -9.714 -3.452 6.636
628 3HD2 LEU 81 3HD2 LEU 81 -9.360 -5.029 5.907
629 H LYS 82 H LYS 82 -12.593 -7.522 3.551
630 HA LYS 82 HA LYS 82 -13.369 -9.244 4.810
631 1HB LYS 82 1HB LYS 82 -11.803 -10.044 2.957
632 2HB LYS 82 2HB LYS 82 -10.602 -10.291 4.215
633 1HG LYS 82 1HG LYS 82 -12.652 -11.675 5.336
634 2HG LYS 82 2HG LYS 82 -13.209 -11.725 3.666
635 1HD LYS 82 1HD LYS 82 -10.530 -12.711 4.717
636 2HD LYS 82 2HD LYS 82 -11.906 -13.738 4.269
637 1HE LYS 82 1HE LYS 82 -11.744 -13.069 1.941
638 2HE LYS 82 2HE LYS 82 -10.536 -11.853 2.332
639 1HZ LYS 82 2HZ LYS 82 -9.081 -13.731 3.074
640 2HZ LYS 82 3HZ LYS 82 -10.188 -14.774 2.439
641 3HZ LYS 82 1HZ LYS 82 -9.415 -13.712 1.467
642 1HB2 GTT 83 1HB2 GTT 83 9.473 6.605 -3.269
643 2HB2 GTT 83 2HB2 GTT 83 11.166 7.007 -3.521
644 HA2 GTT 83 HA2 GTT 83 10.752 7.170 -5.978
645 HN2 GTT 83 HN2 GTT 83 7.982 6.679 -5.169
646 1HG1 GTT 83 1HG1 GTT 83 6.788 7.729 -7.710
647 2HG1 GTT 83 2HG1 GTT 83 6.381 6.353 -6.676
648 1HB1 GTT 83 1HB1 GTT 83 6.893 4.863 -8.682
649 2HB1 GTT 83 2HB1 GTT 83 6.929 6.326 -9.666
650 HA1 GTT 83 HA1 GTT 83 4.617 5.749 -7.771
651 1HN1 GTT 83 1HN1 GTT 83 4.883 4.693 -10.466
652 2HN1 GTT 83 2HN1 GTT 83 4.671 3.840 -9.039
653 3HN1 GTT 83 3HN1 GTT 83 3.471 4.827 -9.625
654 HN3 GTT 83 HN3 GTT 83 12.036 5.451 -6.602
655 1HA3 GTT 83 1HA3 GTT 83 11.565 2.785 -5.320
656 2HA3 GTT 83 2HA3 GTT 83 12.438 3.057 -6.836
No H/Q in entry = 656
Start of MODEL 3
1 1H ALA 1 3H ALA 1 -8.762 -10.364 6.073
2 2H ALA 1 1H ALA 1 -9.523 -9.997 4.653
3 3H ALA 1 2H ALA 1 -7.970 -10.564 4.631
4 HA ALA 1 HA ALA 1 -7.860 -8.303 4.225
5 1HB ALA 1 3HB ALA 1 -9.591 -8.020 6.695
6 2HB ALA 1 1HB ALA 1 -8.764 -6.664 5.874
7 3HB ALA 1 2HB ALA 1 -9.973 -7.625 5.015
8 H ASN 2 H ASN 2 -5.729 -8.273 4.477
9 HA ASN 2 HA ASN 2 -4.609 -7.428 7.064
10 1HB ASN 2 1HB ASN 2 -4.067 -9.793 6.856
11 2HB ASN 2 2HB ASN 2 -3.487 -9.575 5.201
12 1HD2 ASN 2 2HD2 ASN 2 -0.226 -9.021 6.510
13 2HD2 ASN 2 1HD2 ASN 2 -1.229 -9.770 5.270
14 H VAL 3 H VAL 3 -4.953 -5.379 6.030
15 HA VAL 3 HA VAL 3 -3.937 -4.865 3.371
16 HB VAL 3 HB VAL 3 -4.933 -2.891 5.484
17 1HG1 VAL 3 3HG1 VAL 3 -3.665 -1.813 3.645
18 2HG1 VAL 3 1HG1 VAL 3 -4.698 -2.619 2.447
19 3HG1 VAL 3 2HG1 VAL 3 -5.381 -1.409 3.560
20 1HG2 VAL 3 2HG2 VAL 3 -6.505 -4.301 3.288
21 2HG2 VAL 3 3HG2 VAL 3 -6.723 -4.490 5.043
22 3HG2 VAL 3 1HG2 VAL 3 -7.084 -2.947 4.274
23 H GLU 4 H GLU 4 -1.724 -5.103 3.259
24 HA GLU 4 HA GLU 4 -0.025 -3.693 5.245
25 1HB GLU 4 1HB GLU 4 0.603 -5.297 2.703
26 2HB GLU 4 2HB GLU 4 1.836 -4.486 3.648
27 1HG GLU 4 1HG GLU 4 1.388 -5.945 5.576
28 2HG GLU 4 2HG GLU 4 0.084 -6.744 4.685
29 H ILE 5 H ILE 5 1.275 -1.891 4.617
30 HA ILE 5 HA ILE 5 1.178 -0.972 1.836
31 HB ILE 5 HB ILE 5 -0.668 0.261 2.750
32 1HG1 ILE 5 1HG1 ILE 5 1.800 2.033 2.474
33 2HG1 ILE 5 2HG1 ILE 5 0.900 1.341 1.152
34 1HG2 ILE 5 1HG2 ILE 5 0.037 0.165 5.201
35 2HG2 ILE 5 2HG2 ILE 5 1.117 1.522 4.860
36 3HG2 ILE 5 3HG2 ILE 5 -0.639 1.701 4.650
37 1HD1 ILE 5 1HD1 ILE 5 -1.110 2.659 1.846
38 2HD1 ILE 5 2HD1 ILE 5 -0.128 3.419 3.126
39 3HD1 ILE 5 3HD1 ILE 5 0.302 3.655 1.429
40 H TYR 6 H TYR 6 3.216 -0.910 1.282
41 HA TYR 6 HA TYR 6 5.430 -0.366 3.155
42 1HB TYR 6 1HB TYR 6 5.091 -1.043 0.250
43 2HB TYR 6 2HB TYR 6 6.475 -0.061 0.690
44 HD1 TYR 6 HD2 TYR 6 4.740 -3.276 1.704
45 HD2 TYR 6 HD1 TYR 6 8.378 -0.977 1.586
46 HE1 TYR 6 HE2 TYR 6 6.032 -5.270 2.444
47 HE2 TYR 6 HE1 TYR 6 9.667 -2.957 2.277
48 HH TYR 6 HH TYR 6 9.510 -5.358 2.093
49 H THR 7 H THR 7 6.294 1.598 3.624
50 HA THR 7 HA THR 7 5.259 3.984 2.178
51 HB THR 7 HB THR 7 4.992 4.932 4.504
52 HG1 THR 7 HG1 THR 7 5.120 3.564 6.247
53 1HG2 THR 7 1HG2 THR 7 3.037 4.053 3.203
54 2HG2 THR 7 2HG2 THR 7 3.231 2.513 4.081
55 3HG2 THR 7 3HG2 THR 7 2.854 3.996 4.968
56 H LYS 8 H LYS 8 6.496 5.986 2.852
57 HA LYS 8 HA LYS 8 8.965 5.441 4.253
58 1HB LYS 8 1HB LYS 8 9.205 5.526 1.482
59 2HB LYS 8 2HB LYS 8 9.316 7.253 1.877
60 1HG LYS 8 1HG LYS 8 11.027 6.325 3.681
61 2HG LYS 8 2HG LYS 8 11.165 4.988 2.540
62 1HD LYS 8 1HD LYS 8 11.802 7.930 2.158
63 2HD LYS 8 2HD LYS 8 12.931 6.574 2.210
64 1HE LYS 8 1HE LYS 8 11.797 5.740 0.042
65 2HE LYS 8 2HE LYS 8 11.009 7.329 -0.013
66 1HZ LYS 8 1HZ LYS 8 13.289 8.313 0.053
67 2HZ LYS 8 2HZ LYS 8 13.903 6.774 -0.096
68 3HZ LYS 8 3HZ LYS 8 12.996 7.428 -1.273
69 H GLU 9 H GLU 9 9.799 7.483 5.103
70 HA GLU 9 HA GLU 9 7.935 9.519 5.755
71 1HB GLU 9 1HB GLU 9 10.018 9.112 7.050
72 2HB GLU 9 2HB GLU 9 10.981 9.680 5.680
73 1HG GLU 9 1HG GLU 9 9.532 11.876 5.856
74 2HG GLU 9 2HG GLU 9 9.040 11.247 7.421
75 H THR 10 H THR 10 10.855 10.050 3.671
76 HA THR 10 HA THR 10 9.449 12.108 2.175
77 HB THR 10 HB THR 10 11.593 12.715 2.567
78 HG1 THR 10 HG1 THR 10 11.039 12.863 0.352
79 1HG2 THR 10 2HG2 THR 10 12.654 9.982 1.803
80 2HG2 THR 10 3HG2 THR 10 13.638 11.409 2.175
81 3HG2 THR 10 1HG2 THR 10 12.632 10.710 3.429
82 H CYS 11 H CYS 11 7.776 11.050 1.388
83 HA CYS 11 HA CYS 11 8.014 10.156 -1.308
84 1HB CYS 11 1HB CYS 11 7.031 8.194 0.792
85 2HB CYS 11 2HB CYS 11 6.404 8.177 -0.851
86 HA PRO 12 HA PRO 12 4.319 12.614 0.050
87 1HB PRO 12 1HB PRO 12 3.677 13.759 -2.317
88 2HB PRO 12 2HB PRO 12 4.916 14.440 -1.208
89 1HG PRO 12 1HG PRO 12 5.366 12.718 -3.662
90 2HG PRO 12 2HG PRO 12 6.277 14.165 -3.156
91 1HD PRO 12 1HD PRO 12 7.150 11.629 -2.699
92 2HD PRO 12 2HD PRO 12 7.464 12.940 -1.515
93 H TYR 13 H TYR 13 4.670 10.808 -2.993
94 HA TYR 13 HA TYR 13 2.021 9.800 -3.247
95 1HB TYR 13 1HB TYR 13 3.969 9.931 -4.904
96 2HB TYR 13 2HB TYR 13 4.636 8.520 -4.107
97 HD1 TYR 13 HD2 TYR 13 1.757 9.808 -6.119
98 HD2 TYR 13 HD1 TYR 13 3.791 6.360 -4.584
99 HE1 TYR 13 HE2 TYR 13 0.345 8.339 -7.553
100 HE2 TYR 13 HE1 TYR 13 2.420 4.882 -6.027
101 HH TYR 13 HH TYR 13 0.758 5.605 -8.544
102 H SER 14 H SER 14 3.942 9.277 -0.537
103 HA SER 14 HA SER 14 2.717 6.589 -0.005
104 1HB SER 14 1HB SER 14 5.133 6.720 0.466
105 2HB SER 14 2HB SER 14 4.876 8.152 1.485
106 HG SER 14 HG SER 14 4.496 6.948 3.050
107 H HIS 15 H HIS 15 2.893 10.080 0.954
108 HA HIS 15 HA HIS 15 0.980 9.605 3.121
109 1HB HIS 15 1HB HIS 15 1.962 12.229 1.932
110 2HB HIS 15 2HB HIS 15 1.011 12.044 3.408
111 HD1 HIS 15 HD1 HIS 15 2.339 10.524 5.468
112 HD2 HIS 15 HD2 HIS 15 4.594 11.876 2.132
113 HE1 HIS 15 HE1 HIS 15 4.796 10.215 6.054
114 HE2 HIS 15 HE2 HIS 15 6.162 11.042 3.999
115 H ARG 16 H ARG 16 0.752 10.546 -0.283
116 HA ARG 16 HA ARG 16 -1.950 11.327 -0.407
117 1HB ARG 16 1HB ARG 16 0.048 10.052 -2.212
118 2HB ARG 16 2HB ARG 16 -1.613 9.760 -2.667
119 1HG ARG 16 1HG ARG 16 -2.031 12.228 -2.631
120 2HG ARG 16 2HG ARG 16 -0.312 12.455 -2.224
121 1HD ARG 16 1HD ARG 16 0.137 11.032 -4.375
122 2HD ARG 16 2HD ARG 16 -1.552 11.405 -4.794
123 HE ARG 16 HE ARG 16 -0.518 13.834 -4.106
124 1HH1 ARG 16 2HH2 ARG 16 0.256 11.525 -6.763
125 2HH1 ARG 16 1HH2 ARG 16 1.428 12.602 -7.441
126 1HH2 ARG 16 2HH1 ARG 16 0.778 15.284 -5.294
127 2HH2 ARG 16 1HH1 ARG 16 1.636 14.744 -6.705
128 H ALA 17 H ALA 17 -0.735 7.930 -0.498
129 HA ALA 17 HA ALA 17 -3.216 6.719 -0.351
130 1HB ALA 17 1HB ALA 17 -1.078 5.519 -0.801
131 2HB ALA 17 2HB ALA 17 -0.626 5.726 0.903
132 3HB ALA 17 3HB ALA 17 -2.030 4.728 0.469
133 H LYS 18 H LYS 18 -1.564 8.348 2.226
134 HA LYS 18 HA LYS 18 -3.329 7.186 4.306
135 1HB LYS 18 1HB LYS 18 -1.135 9.303 4.395
136 2HB LYS 18 2HB LYS 18 -2.324 9.140 5.685
137 1HG LYS 18 1HG LYS 18 -0.390 7.861 6.245
138 2HG LYS 18 2HG LYS 18 -1.776 6.791 5.986
139 1HD LYS 18 1HD LYS 18 -0.870 6.021 3.855
140 2HD LYS 18 2HD LYS 18 0.349 7.301 3.865
141 1HE LYS 18 1HE LYS 18 1.084 4.923 4.459
142 2HE LYS 18 2HE LYS 18 1.660 6.277 5.431
143 1HZ LYS 18 2HZ LYS 18 -0.021 5.769 7.077
144 2HZ LYS 18 3HZ LYS 18 -0.506 4.423 6.244
145 3HZ LYS 18 1HZ LYS 18 1.019 4.580 6.886
146 H ALA 19 H ALA 19 -3.008 10.342 2.493
147 HA ALA 19 HA ALA 19 -5.368 11.406 3.675
148 1HB ALA 19 1HB ALA 19 -3.849 12.779 2.278
149 2HB ALA 19 2HB ALA 19 -4.286 11.820 0.840
150 3HB ALA 19 3HB ALA 19 -5.504 12.819 1.641
151 H LEU 20 H LEU 20 -5.022 8.914 1.249
152 HA LEU 20 HA LEU 20 -7.913 8.823 0.732
153 1HB LEU 20 1HB LEU 20 -6.141 8.120 -0.918
154 2HB LEU 20 2HB LEU 20 -5.682 6.801 0.146
155 HG LEU 20 HG LEU 20 -8.238 7.101 -1.481
156 1HD1 LEU 20 3HD1 LEU 20 -5.908 5.114 -1.496
157 2HD1 LEU 20 1HD1 LEU 20 -7.377 4.943 -2.459
158 3HD1 LEU 20 2HD1 LEU 20 -6.310 6.313 -2.747
159 1HD2 LEU 20 1HD2 LEU 20 -7.564 4.873 0.492
160 2HD2 LEU 20 2HD2 LEU 20 -8.959 5.996 0.540
161 3HD2 LEU 20 3HD2 LEU 20 -8.834 4.795 -0.734
162 H LEU 21 H LEU 21 -5.738 6.395 2.270
163 HA LEU 21 HA LEU 21 -7.908 4.876 3.238
164 1HB LEU 21 1HB LEU 21 -4.986 5.108 4.109
165 2HB LEU 21 2HB LEU 21 -6.056 3.940 4.839
166 HG LEU 21 HG LEU 21 -5.530 4.032 1.833
167 1HD1 LEU 21 3HD1 LEU 21 -3.427 3.612 3.034
168 2HD1 LEU 21 1HD1 LEU 21 -4.197 2.295 3.954
169 3HD1 LEU 21 2HD1 LEU 21 -3.979 2.155 2.194
170 1HD2 LEU 21 3HD2 LEU 21 -6.709 1.856 3.624
171 2HD2 LEU 21 1HD2 LEU 21 -7.605 2.832 2.438
172 3HD2 LEU 21 2HD2 LEU 21 -6.374 1.698 1.895
173 H SER 22 H SER 22 -6.220 7.594 4.749
174 HA SER 22 HA SER 22 -7.548 7.208 7.292
175 1HB SER 22 1HB SER 22 -5.187 8.198 6.790
176 2HB SER 22 2HB SER 22 -6.041 9.696 6.405
177 HG SER 22 HG SER 22 -6.696 9.855 8.477
178 H SER 23 H SER 23 -8.218 9.136 4.194
179 HA SER 23 HA SER 23 -10.369 10.627 5.406
180 1HB SER 23 1HB SER 23 -9.468 11.060 3.148
181 2HB SER 23 2HB SER 23 -10.145 9.534 2.562
182 HG SER 23 HG SER 23 -11.171 11.897 2.614
183 H LYS 24 H LYS 24 -10.053 7.371 3.995
184 HA LYS 24 HA LYS 24 -12.772 6.591 4.560
185 1HB LYS 24 1HB LYS 24 -10.288 5.054 3.716
186 2HB LYS 24 2HB LYS 24 -11.894 4.307 3.878
187 1HG LYS 24 1HG LYS 24 -12.771 5.935 2.240
188 2HG LYS 24 2HG LYS 24 -11.154 6.612 2.023
189 1HD LYS 24 1HD LYS 24 -10.357 4.409 1.226
190 2HD LYS 24 2HD LYS 24 -11.962 3.718 1.425
191 1HE LYS 24 1HE LYS 24 -11.734 6.274 -0.142
192 2HE LYS 24 2HE LYS 24 -11.110 4.804 -0.903
193 1HZ LYS 24 3HZ LYS 24 -13.824 4.851 0.230
194 2HZ LYS 24 1HZ LYS 24 -13.524 5.338 -1.323
195 3HZ LYS 24 2HZ LYS 24 -13.134 3.813 -0.847
196 H GLY 25 H GLY 25 -10.152 6.889 6.706
197 1HA GLY 25 1HA GLY 25 -9.821 6.264 8.859
198 2HA GLY 25 2HA GLY 25 -11.510 5.760 8.914
199 H VAL 26 H VAL 26 -9.091 4.261 6.714
200 HA VAL 26 HA VAL 26 -9.883 1.643 7.835
201 HB VAL 26 HB VAL 26 -7.811 1.877 5.661
202 1HG1 VAL 26 2HG1 VAL 26 -8.507 -0.342 6.495
203 2HG1 VAL 26 3HG1 VAL 26 -10.197 0.021 6.051
204 3HG1 VAL 26 1HG1 VAL 26 -8.940 -0.123 4.803
205 1HG2 VAL 26 1HG2 VAL 26 -10.754 2.394 5.150
206 2HG2 VAL 26 2HG2 VAL 26 -9.348 3.426 4.757
207 3HG2 VAL 26 3HG2 VAL 26 -9.573 1.914 3.903
208 H SER 27 H SER 27 -8.424 0.170 8.830
209 HA SER 27 HA SER 27 -5.918 1.250 9.901
210 1HB SER 27 1HB SER 27 -7.569 -0.375 11.088
211 2HB SER 27 2HB SER 27 -6.908 -1.624 10.017
212 HG SER 27 HG SER 27 -5.813 -0.295 12.198
213 H PHE 28 H PHE 28 -3.925 -0.044 9.498
214 HA PHE 28 HA PHE 28 -3.581 -1.761 7.182
215 1HB PHE 28 1HB PHE 28 -2.050 -0.210 5.997
216 2HB PHE 28 2HB PHE 28 -3.716 0.304 5.953
217 HD1 PHE 28 HD2 PHE 28 -0.478 0.981 7.769
218 HD2 PHE 28 HD1 PHE 28 -4.393 2.447 6.697
219 HE1 PHE 28 HE2 PHE 28 0.009 3.138 8.912
220 HE2 PHE 28 HE1 PHE 28 -3.854 4.624 7.738
221 HZ PHE 28 HZ PHE 28 -1.700 4.950 8.919
222 H GLN 29 H GLN 29 -1.416 -2.545 7.152
223 HA GLN 29 HA GLN 29 0.140 -2.417 9.652
224 1HB GLN 29 1HB GLN 29 -0.535 -4.709 8.904
225 2HB GLN 29 2HB GLN 29 0.114 -4.390 7.308
226 1HG GLN 29 1HG GLN 29 1.767 -5.662 8.292
227 2HG GLN 29 2HG GLN 29 2.398 -4.035 8.523
228 1HE2 GLN 29 2HE2 GLN 29 1.874 -6.419 11.737
229 2HE2 GLN 29 1HE2 GLN 29 2.076 -6.921 10.069
230 H GLU 30 H GLU 30 1.191 -0.589 9.282
231 HA GLU 30 HA GLU 30 2.239 0.198 6.661
232 1HB GLU 30 1HB GLU 30 1.839 1.633 9.046
233 2HB GLU 30 2HB GLU 30 3.608 1.419 8.960
234 1HG GLU 30 1HG GLU 30 3.427 2.123 6.530
235 2HG GLU 30 2HG GLU 30 1.781 2.627 6.867
236 H LEU 31 H LEU 31 4.190 -0.204 5.823
237 HA LEU 31 HA LEU 31 6.312 -1.615 7.359
238 1HB LEU 31 1HB LEU 31 5.350 -1.977 4.499
239 2HB LEU 31 2HB LEU 31 6.895 -2.536 5.056
240 HG LEU 31 HG LEU 31 5.587 -4.384 5.025
241 1HD1 LEU 31 1HD1 LEU 31 6.837 -4.180 7.179
242 2HD1 LEU 31 2HD1 LEU 31 5.356 -3.575 7.950
243 3HD1 LEU 31 3HD1 LEU 31 5.388 -5.213 7.303
244 1HD2 LEU 31 3HD2 LEU 31 3.387 -3.242 4.837
245 2HD2 LEU 31 1HD2 LEU 31 3.384 -4.711 5.831
246 3HD2 LEU 31 2HD2 LEU 31 3.374 -3.121 6.608
247 HA PRO 32 HA PRO 32 7.907 2.554 5.892
248 1HB PRO 32 1HB PRO 32 9.622 2.910 8.001
249 2HB PRO 32 2HB PRO 32 7.908 3.421 7.990
250 1HG PRO 32 1HG PRO 32 9.107 0.888 9.129
251 2HG PRO 32 2HG PRO 32 7.956 2.009 9.906
252 1HD PRO 32 1HD PRO 32 7.096 -0.260 8.753
253 2HD PRO 32 2HD PRO 32 6.160 1.251 8.542
254 H ILE 33 H ILE 33 9.490 2.585 4.542
255 HA ILE 33 HA ILE 33 11.870 0.797 4.789
256 HB ILE 33 HB ILE 33 11.964 1.236 2.221
257 1HG1 ILE 33 1HG1 ILE 33 8.953 1.358 2.535
258 2HG1 ILE 33 2HG1 ILE 33 9.927 2.817 2.294
259 1HG2 ILE 33 3HG2 ILE 33 9.967 -0.607 3.568
260 2HG2 ILE 33 1HG2 ILE 33 10.655 -0.818 1.933
261 3HG2 ILE 33 2HG2 ILE 33 11.713 -0.890 3.345
262 1HD1 ILE 33 2HD1 ILE 33 9.726 0.523 0.329
263 2HD1 ILE 33 3HD1 ILE 33 8.900 2.078 0.257
264 3HD1 ILE 33 1HD1 ILE 33 10.663 2.037 0.123
265 H ASP 34 H ASP 34 11.220 3.701 5.837
266 HA ASP 34 HA ASP 34 13.027 5.268 4.315
267 1HB ASP 34 1HB ASP 34 12.882 6.956 6.067
268 2HB ASP 34 2HB ASP 34 11.287 6.314 5.783
269 H GLY 35 H GLY 35 13.511 3.795 7.606
270 1HA GLY 35 1HA GLY 35 16.432 4.008 7.256
271 2HA GLY 35 2HA GLY 35 15.549 3.530 8.705
272 H ASN 36 H ASN 36 14.544 1.947 5.774
273 HA ASN 36 HA ASN 36 15.951 -0.566 6.537
274 1HB ASN 36 1HB ASN 36 14.026 -0.937 7.721
275 2HB ASN 36 2HB ASN 36 13.043 0.103 6.698
276 1HD2 ASN 36 2HD2 ASN 36 11.487 -2.747 5.438
277 2HD2 ASN 36 1HD2 ASN 36 11.399 -1.139 6.061
278 H ALA 37 H ALA 37 17.105 -0.879 4.727
279 HA ALA 37 HA ALA 37 15.787 -0.615 2.065
280 1HB ALA 37 3HB ALA 37 18.676 -1.159 2.821
281 2HB ALA 37 1HB ALA 37 18.046 -1.040 1.162
282 3HB ALA 37 2HB ALA 37 17.997 0.375 2.213
283 H ALA 38 H ALA 38 16.374 -3.007 4.473
284 HA ALA 38 HA ALA 38 16.881 -5.285 2.832
285 1HB ALA 38 2HB ALA 38 15.595 -5.030 5.590
286 2HB ALA 38 3HB ALA 38 16.084 -6.557 4.845
287 3HB ALA 38 1HB ALA 38 17.309 -5.348 5.247
288 H LYS 39 H LYS 39 13.789 -4.429 4.503
289 HA LYS 39 HA LYS 39 12.362 -6.208 2.758
290 1HB LYS 39 1HB LYS 39 11.867 -4.596 5.168
291 2HB LYS 39 2HB LYS 39 10.543 -4.480 4.029
292 1HG LYS 39 1HG LYS 39 10.495 -6.990 3.887
293 2HG LYS 39 2HG LYS 39 11.858 -7.046 5.004
294 1HD LYS 39 1HD LYS 39 10.125 -7.540 6.373
295 2HD LYS 39 2HD LYS 39 10.281 -5.807 6.678
296 1HE LYS 39 1HE LYS 39 8.332 -5.326 5.312
297 2HE LYS 39 2HE LYS 39 8.355 -6.947 4.609
298 1HZ LYS 39 1HZ LYS 39 7.896 -7.806 6.884
299 2HZ LYS 39 2HZ LYS 39 7.652 -6.286 7.401
300 3HZ LYS 39 3HZ LYS 39 6.654 -6.945 6.258
301 H ARG 40 H ARG 40 13.410 -2.900 2.397
302 HA ARG 40 HA ARG 40 11.554 -2.113 0.350
303 1HB ARG 40 1HB ARG 40 13.387 -0.776 1.677
304 2HB ARG 40 2HB ARG 40 14.489 -1.304 0.422
305 1HG ARG 40 1HG ARG 40 11.905 0.147 -0.183
306 2HG ARG 40 2HG ARG 40 13.342 1.024 0.326
307 1HD ARG 40 1HD ARG 40 12.929 -0.490 -2.260
308 2HD ARG 40 2HD ARG 40 13.126 1.226 -2.001
309 HE ARG 40 HE ARG 40 15.443 0.952 -1.425
310 1HH1 ARG 40 2HH2 ARG 40 13.995 -1.999 -2.854
311 2HH1 ARG 40 1HH2 ARG 40 15.517 -2.398 -3.640
312 1HH2 ARG 40 2HH1 ARG 40 17.347 0.240 -2.325
313 2HH2 ARG 40 1HH1 ARG 40 17.401 -1.231 -3.290
314 H GLU 41 H GLU 41 14.504 -4.160 0.297
315 HA GLU 41 HA GLU 41 14.511 -4.350 -2.602
316 1HB GLU 41 1HB GLU 41 16.390 -4.758 -0.778
317 2HB GLU 41 2HB GLU 41 15.780 -6.406 -0.776
318 1HG GLU 41 1HG GLU 41 16.706 -4.814 -3.218
319 2HG GLU 41 2HG GLU 41 17.734 -5.904 -2.305
320 H GLU 42 H GLU 42 13.446 -6.464 0.096
321 HA GLU 42 HA GLU 42 12.333 -8.499 -1.436
322 1HB GLU 42 1HB GLU 42 12.646 -8.521 1.036
323 2HB GLU 42 2HB GLU 42 11.263 -7.427 1.210
324 1HG GLU 42 1HG GLU 42 9.770 -9.120 0.213
325 2HG GLU 42 2HG GLU 42 11.161 -10.177 -0.082
326 H MET 43 H MET 43 10.832 -5.364 -0.616
327 HA MET 43 HA MET 43 8.202 -5.878 -1.516
328 1HB MET 43 1HB MET 43 9.032 -3.779 -0.340
329 2HB MET 43 2HB MET 43 9.878 -3.323 -1.812
330 1HG MET 43 1HG MET 43 7.563 -3.352 -2.962
331 2HG MET 43 2HG MET 43 6.892 -3.479 -1.338
332 1HE MET 43 1HE MET 43 8.362 -1.242 -4.119
333 2HE MET 43 2HE MET 43 8.956 0.195 -3.267
334 3HE MET 43 3HE MET 43 9.819 -1.348 -3.103
335 H ILE 44 H ILE 44 11.176 -5.228 -3.434
336 HA ILE 44 HA ILE 44 9.746 -4.729 -5.879
337 HB ILE 44 HB ILE 44 12.593 -5.725 -5.516
338 1HG1 ILE 44 1HG1 ILE 44 11.624 -2.849 -5.708
339 2HG1 ILE 44 2HG1 ILE 44 12.218 -3.609 -4.245
340 1HG2 ILE 44 1HG2 ILE 44 11.607 -5.956 -7.814
341 2HG2 ILE 44 2HG2 ILE 44 11.224 -4.224 -7.811
342 3HG2 ILE 44 3HG2 ILE 44 12.907 -4.785 -7.794
343 1HD1 ILE 44 1HD1 ILE 44 13.923 -3.238 -6.728
344 2HD1 ILE 44 2HD1 ILE 44 13.923 -2.199 -5.321
345 3HD1 ILE 44 3HD1 ILE 44 14.433 -3.904 -5.165
346 H LYS 45 H LYS 45 11.464 -7.593 -4.490
347 HA LYS 45 HA LYS 45 10.659 -9.465 -6.412
348 1HB LYS 45 1HB LYS 45 12.254 -9.788 -4.459
349 2HB LYS 45 2HB LYS 45 10.853 -10.013 -3.414
350 1HG LYS 45 1HG LYS 45 10.477 -11.738 -5.686
351 2HG LYS 45 2HG LYS 45 12.162 -11.870 -5.225
352 1HD LYS 45 1HD LYS 45 11.095 -13.564 -4.068
353 2HD LYS 45 2HD LYS 45 11.332 -12.312 -2.833
354 1HE LYS 45 1HE LYS 45 8.960 -11.574 -3.182
355 2HE LYS 45 2HE LYS 45 8.785 -12.789 -4.460
356 1HZ LYS 45 2HZ LYS 45 9.374 -14.439 -2.633
357 2HZ LYS 45 3HZ LYS 45 9.081 -13.249 -1.572
358 3HZ LYS 45 1HZ LYS 45 7.869 -13.753 -2.594
359 H ARG 46 H ARG 46 8.844 -8.363 -3.515
360 HA ARG 46 HA ARG 46 6.641 -10.161 -3.982
361 1HB ARG 46 1HB ARG 46 6.874 -7.691 -2.249
362 2HB ARG 46 2HB ARG 46 5.435 -8.715 -2.339
363 1HG ARG 46 1HG ARG 46 6.755 -10.694 -1.637
364 2HG ARG 46 2HG ARG 46 8.191 -9.686 -1.493
365 1HD ARG 46 1HD ARG 46 7.269 -9.979 0.707
366 2HD ARG 46 2HD ARG 46 7.004 -8.295 0.224
367 HE ARG 46 HE ARG 46 4.785 -10.067 -0.432
368 1HH1 ARG 46 2HH2 ARG 46 6.209 -8.315 2.344
369 2HH1 ARG 46 1HH2 ARG 46 4.639 -7.901 3.018
370 1HH2 ARG 46 2HH1 ARG 46 2.807 -9.816 0.717
371 2HH2 ARG 46 1HH1 ARG 46 2.697 -8.808 2.119
372 H SER 47 H SER 47 7.439 -7.108 -5.512
373 HA SER 47 HA SER 47 4.599 -6.801 -6.367
374 1HB SER 47 1HB SER 47 6.813 -4.728 -6.110
375 2HB SER 47 2HB SER 47 5.118 -4.414 -6.489
376 HG SER 47 HG SER 47 6.327 -5.273 -4.119
377 H GLY 48 H GLY 48 7.757 -7.422 -7.696
378 1HA GLY 48 1HA GLY 48 8.638 -7.315 -9.775
379 2HA GLY 48 2HA GLY 48 6.993 -7.386 -10.428
380 H ARG 49 H ARG 49 8.027 -4.790 -8.212
381 HA ARG 49 HA ARG 49 8.220 -2.757 -10.297
382 1HB ARG 49 1HB ARG 49 5.932 -2.891 -8.276
383 2HB ARG 49 2HB ARG 49 6.466 -1.365 -8.999
384 1HG ARG 49 1HG ARG 49 5.764 -1.960 -11.168
385 2HG ARG 49 2HG ARG 49 5.771 -3.667 -10.787
386 1HD ARG 49 1HD ARG 49 3.802 -3.007 -9.123
387 2HD ARG 49 2HD ARG 49 3.611 -1.688 -10.298
388 HE ARG 49 HE ARG 49 3.985 -4.347 -11.464
389 1HH1 ARG 49 2HH2 ARG 49 1.461 -2.009 -10.526
390 2HH1 ARG 49 1HH2 ARG 49 0.186 -2.961 -11.218
391 1HH2 ARG 49 2HH1 ARG 49 2.356 -5.277 -12.753
392 2HH2 ARG 49 1HH1 ARG 49 0.779 -4.575 -12.766
393 H THR 50 H THR 50 9.370 -0.989 -9.474
394 HA THR 50 HA THR 50 10.780 -1.434 -6.946
395 HB THR 50 HB THR 50 11.965 0.739 -7.936
396 HG1 THR 50 HG1 THR 50 11.832 0.626 -10.266
397 1HG2 THR 50 2HG2 THR 50 12.217 -2.036 -9.170
398 2HG2 THR 50 3HG2 THR 50 13.426 -0.728 -9.288
399 3HG2 THR 50 1HG2 THR 50 13.039 -1.422 -7.719
400 H THR 51 H THR 51 8.120 0.575 -8.069
401 HA THR 51 HA THR 51 8.810 2.787 -6.420
402 HB THR 51 HB THR 51 6.447 3.472 -7.239
403 HG1 THR 51 HG1 THR 51 6.000 2.142 -9.242
404 1HG2 THR 51 2HG2 THR 51 8.587 4.213 -8.258
405 2HG2 THR 51 3HG2 THR 51 8.601 2.779 -9.299
406 3HG2 THR 51 1HG2 THR 51 7.332 4.014 -9.469
407 H VAL 52 H VAL 52 7.837 3.546 -4.617
408 HA VAL 52 HA VAL 52 6.099 1.731 -3.045
409 HB VAL 52 HB VAL 52 7.444 2.168 -1.388
410 1HG1 VAL 52 1HG1 VAL 52 8.683 4.536 -2.842
411 2HG1 VAL 52 2HG1 VAL 52 9.275 3.863 -1.318
412 3HG1 VAL 52 3HG1 VAL 52 9.321 2.871 -2.769
413 1HG2 VAL 52 3HG2 VAL 52 6.535 5.068 -1.425
414 2HG2 VAL 52 1HG2 VAL 52 5.798 3.740 -0.506
415 3HG2 VAL 52 2HG2 VAL 52 7.408 4.277 -0.102
416 HA PRO 53 HA PRO 53 4.683 2.145 -1.260
417 1HB PRO 53 1HB PRO 53 2.035 2.077 -0.707
418 2HB PRO 53 2HB PRO 53 3.010 3.510 -0.244
419 1HG PRO 53 1HG PRO 53 1.281 3.180 -2.704
420 2HG PRO 53 2HG PRO 53 1.305 4.539 -1.525
421 1HD PRO 53 1HD PRO 53 2.727 4.588 -3.853
422 2HD PRO 53 2HD PRO 53 3.383 5.320 -2.347
423 H GLN 54 H GLN 54 3.817 0.041 -1.086
424 HA GLN 54 HA GLN 54 2.416 -1.028 -3.454
425 1HB GLN 54 1HB GLN 54 4.764 -2.331 -2.000
426 2HB GLN 54 2HB GLN 54 3.655 -3.191 -3.076
427 1HG GLN 54 1HG GLN 54 5.380 -0.827 -3.877
428 2HG GLN 54 2HG GLN 54 5.757 -2.502 -4.237
429 1HE2 GLN 54 2HE2 GLN 54 3.827 -0.682 -7.091
430 2HE2 GLN 54 1HE2 GLN 54 5.188 -0.177 -6.080
431 H ILE 55 H ILE 55 0.482 -1.737 -2.766
432 HA ILE 55 HA ILE 55 0.089 -2.180 0.111
433 HB ILE 55 HB ILE 55 -1.841 -1.468 -2.149
434 1HG1 ILE 55 1HG1 ILE 55 -2.176 0.466 -0.241
435 2HG1 ILE 55 2HG1 ILE 55 -0.503 0.083 0.046
436 1HG2 ILE 55 2HG2 ILE 55 -2.952 -2.992 -0.512
437 2HG2 ILE 55 3HG2 ILE 55 -2.504 -1.886 0.798
438 3HG2 ILE 55 1HG2 ILE 55 -3.617 -1.361 -0.466
439 1HD1 ILE 55 1HD1 ILE 55 -1.688 0.938 -2.635
440 2HD1 ILE 55 2HD1 ILE 55 -0.815 1.991 -1.508
441 3HD1 ILE 55 3HD1 ILE 55 0.038 0.671 -2.319
442 H PHE 56 H PHE 56 -0.941 -4.159 0.649
443 HA PHE 56 HA PHE 56 -1.435 -6.108 -1.470
444 1HB PHE 56 1HB PHE 56 0.332 -6.701 0.949
445 2HB PHE 56 2HB PHE 56 -0.433 -7.920 -0.047
446 HD1 PHE 56 HD1 PHE 56 1.944 -4.999 -0.306
447 HD2 PHE 56 HD2 PHE 56 0.719 -8.832 -1.885
448 HE1 PHE 56 HE1 PHE 56 3.911 -5.021 -1.803
449 HE2 PHE 56 HE2 PHE 56 2.708 -8.830 -3.371
450 HZ PHE 56 HZ PHE 56 4.268 -6.903 -3.354
451 H ILE 57 H ILE 57 -3.120 -7.486 -0.806
452 HA ILE 57 HA ILE 57 -4.060 -7.191 1.992
453 HB ILE 57 HB ILE 57 -6.047 -7.133 -0.310
454 1HG1 ILE 57 1HG1 ILE 57 -5.164 -4.796 1.450
455 2HG1 ILE 57 2HG1 ILE 57 -4.760 -4.984 -0.247
456 1HG2 ILE 57 2HG2 ILE 57 -6.804 -8.169 1.824
457 2HG2 ILE 57 3HG2 ILE 57 -6.307 -6.710 2.715
458 3HG2 ILE 57 1HG2 ILE 57 -7.645 -6.653 1.553
459 1HD1 ILE 57 3HD1 ILE 57 -7.179 -4.910 -0.840
460 2HD1 ILE 57 1HD1 ILE 57 -7.534 -4.533 0.865
461 3HD1 ILE 57 2HD1 ILE 57 -6.543 -3.427 -0.097
462 H ASP 58 H ASP 58 -3.924 -9.189 2.768
463 HA ASP 58 HA ASP 58 -3.760 -11.495 2.872
464 1HB ASP 58 1HB ASP 58 -6.062 -11.194 0.950
465 2HB ASP 58 2HB ASP 58 -5.611 -12.736 1.679
466 H ALA 59 H ALA 59 -1.978 -10.317 1.203
467 HA ALA 59 HA ALA 59 -0.217 -10.784 -0.123
468 1HB ALA 59 2HB ALA 59 -0.336 -13.120 0.721
469 2HB ALA 59 3HB ALA 59 -1.375 -13.541 -0.665
470 3HB ALA 59 1HB ALA 59 0.279 -12.999 -0.941
471 H GLN 60 H GLN 60 -3.325 -10.447 -1.257
472 HA GLN 60 HA GLN 60 -2.833 -10.717 -4.112
473 1HB GLN 60 1HB GLN 60 -5.091 -9.244 -2.676
474 2HB GLN 60 2HB GLN 60 -5.009 -9.712 -4.370
475 1HG GLN 60 1HG GLN 60 -4.856 -12.103 -3.710
476 2HG GLN 60 2HG GLN 60 -5.001 -11.653 -2.008
477 1HE2 GLN 60 2HE2 GLN 60 -8.413 -12.383 -2.341
478 2HE2 GLN 60 1HE2 GLN 60 -6.899 -12.580 -1.473
479 H HIS 61 H HIS 61 -1.759 -9.274 -5.263
480 HA HIS 61 HA HIS 61 -0.610 -6.958 -3.847
481 1HB HIS 61 1HB HIS 61 0.906 -8.482 -4.978
482 2HB HIS 61 2HB HIS 61 -0.040 -8.462 -6.463
483 HD1 HIS 61 HD1 HIS 61 1.192 -7.130 -8.315
484 HD2 HIS 61 HD2 HIS 61 1.754 -5.685 -4.355
485 HE1 HIS 61 HE1 HIS 61 2.868 -5.193 -8.451
486 HE2 HIS 61 HE2 HIS 61 3.093 -4.232 -6.064
487 H ILE 62 H ILE 62 -1.188 -4.860 -4.367
488 HA ILE 62 HA ILE 62 -3.485 -4.558 -6.133
489 HB ILE 62 HB ILE 62 -2.004 -2.413 -4.567
490 1HG1 ILE 62 1HG1 ILE 62 -2.559 -3.982 -2.906
491 2HG1 ILE 62 2HG1 ILE 62 -3.757 -2.727 -2.824
492 1HG2 ILE 62 2HG2 ILE 62 -4.802 -2.586 -5.740
493 2HG2 ILE 62 3HG2 ILE 62 -4.259 -1.354 -4.584
494 3HG2 ILE 62 1HG2 ILE 62 -3.499 -1.465 -6.169
495 1HD1 ILE 62 2HD1 ILE 62 -4.229 -5.470 -4.071
496 2HD1 ILE 62 3HD1 ILE 62 -4.808 -4.904 -2.505
497 3HD1 ILE 62 1HD1 ILE 62 -5.417 -4.149 -3.979
498 H GLY 63 H GLY 63 -0.315 -2.847 -5.971
499 1HA GLY 63 1HA GLY 63 0.968 -3.233 -8.178
500 2HA GLY 63 2HA GLY 63 -0.394 -2.362 -8.891
501 H GLY 64 H GLY 64 -0.646 -0.640 -6.401
502 1HA GLY 64 1HA GLY 64 1.487 1.042 -5.893
503 2HA GLY 64 2HA GLY 64 0.774 1.556 -7.444
504 H TYR 65 H TYR 65 0.379 3.446 -5.784
505 HA TYR 65 HA TYR 65 -1.974 3.184 -4.048
506 1HB TYR 65 1HB TYR 65 -0.486 4.828 -3.264
507 2HB TYR 65 2HB TYR 65 -0.084 5.375 -4.871
508 HD1 TYR 65 HD2 TYR 65 -2.910 5.357 -2.392
509 HD2 TYR 65 HD1 TYR 65 -1.169 7.215 -5.877
510 HE1 TYR 65 HE2 TYR 65 -4.405 7.332 -2.126
511 HE2 TYR 65 HE1 TYR 65 -2.641 9.133 -5.616
512 HH TYR 65 HH TYR 65 -4.582 9.929 -4.510
513 H ASP 66 H ASP 66 -1.231 4.769 -7.244
514 HA ASP 66 HA ASP 66 -3.902 5.610 -7.680
515 1HB ASP 66 1HB ASP 66 -1.553 5.026 -9.492
516 2HB ASP 66 2HB ASP 66 -3.143 5.228 -10.206
517 H ASP 67 H ASP 67 -2.353 2.454 -8.157
518 HA ASP 67 HA ASP 67 -4.562 1.162 -9.473
519 1HB ASP 67 1HB ASP 67 -2.431 0.019 -7.625
520 2HB ASP 67 2HB ASP 67 -3.673 -0.948 -8.408
521 H LEU 68 H LEU 68 -3.631 1.468 -5.987
522 HA LEU 68 HA LEU 68 -5.857 0.058 -4.979
523 1HB LEU 68 1HB LEU 68 -3.867 0.696 -3.569
524 2HB LEU 68 2HB LEU 68 -4.414 2.371 -3.614
525 HG LEU 68 HG LEU 68 -6.614 1.630 -2.553
526 1HD1 LEU 68 3HD1 LEU 68 -5.087 -0.996 -2.280
527 2HD1 LEU 68 1HD1 LEU 68 -6.518 -0.582 -1.332
528 3HD1 LEU 68 2HD1 LEU 68 -6.656 -0.742 -3.080
529 1HD2 LEU 68 2HD2 LEU 68 -4.854 2.664 -1.229
530 2HD2 LEU 68 3HD2 LEU 68 -5.782 1.462 -0.324
531 3HD2 LEU 68 1HD2 LEU 68 -4.156 1.054 -0.910
532 H TYR 69 H TYR 69 -5.523 3.559 -5.539
533 HA TYR 69 HA TYR 69 -7.920 4.373 -4.383
534 1HB TYR 69 1HB TYR 69 -6.043 5.836 -5.248
535 2HB TYR 69 2HB TYR 69 -6.634 5.576 -6.875
536 HD1 TYR 69 HD1 TYR 69 -9.445 6.149 -7.067
537 HD2 TYR 69 HD2 TYR 69 -6.543 7.863 -4.365
538 HE1 TYR 69 HE1 TYR 69 -10.978 8.012 -6.594
539 HE2 TYR 69 HE2 TYR 69 -8.047 9.737 -3.913
540 HH TYR 69 HH TYR 69 -11.244 10.046 -5.506
541 H ALA 70 H ALA 70 -7.344 3.393 -7.778
542 HA ALA 70 HA ALA 70 -10.105 3.689 -8.596
543 1HB ALA 70 1HB ALA 70 -8.216 3.740 -10.187
544 2HB ALA 70 2HB ALA 70 -7.816 2.052 -9.793
545 3HB ALA 70 3HB ALA 70 -9.347 2.447 -10.601
546 H LEU 71 H LEU 71 -8.141 0.984 -7.393
547 HA LEU 71 HA LEU 71 -10.065 -1.162 -7.570
548 1HB LEU 71 1HB LEU 71 -7.572 -1.314 -7.195
549 2HB LEU 71 2HB LEU 71 -7.889 -0.921 -5.509
550 HG LEU 71 HG LEU 71 -9.571 -3.089 -6.796
551 1HD1 LEU 71 1HD1 LEU 71 -7.223 -3.624 -7.473
552 2HD1 LEU 71 2HD1 LEU 71 -6.784 -3.654 -5.759
553 3HD1 LEU 71 3HD1 LEU 71 -7.965 -4.817 -6.391
554 1HD2 LEU 71 3HD2 LEU 71 -9.870 -2.280 -4.468
555 2HD2 LEU 71 1HD2 LEU 71 -9.556 -4.015 -4.618
556 3HD2 LEU 71 2HD2 LEU 71 -8.267 -2.880 -4.078
557 H ASP 72 H ASP 72 -9.441 1.247 -5.006
558 HA ASP 72 HA ASP 72 -11.424 0.179 -3.219
559 1HB ASP 72 1HB ASP 72 -9.454 1.599 -2.600
560 2HB ASP 72 2HB ASP 72 -10.251 2.987 -3.338
561 H ALA 73 H ALA 73 -11.371 3.047 -5.334
562 HA ALA 73 HA ALA 73 -13.870 3.983 -4.678
563 1HB ALA 73 3HB ALA 73 -12.057 5.276 -5.770
564 2HB ALA 73 1HB ALA 73 -12.370 4.406 -7.294
565 3HB ALA 73 2HB ALA 73 -13.606 5.476 -6.593
566 H ARG 74 H ARG 74 -13.217 1.461 -6.984
567 HA ARG 74 HA ARG 74 -15.909 1.523 -8.128
568 1HB ARG 74 1HB ARG 74 -15.176 -0.235 -9.462
569 2HB ARG 74 2HB ARG 74 -13.809 0.861 -9.328
570 1HG ARG 74 1HG ARG 74 -12.647 -0.614 -7.839
571 2HG ARG 74 2HG ARG 74 -14.047 -1.661 -7.611
572 1HD ARG 74 1HD ARG 74 -14.018 -2.307 -9.983
573 2HD ARG 74 2HD ARG 74 -12.678 -1.185 -10.275
574 HE ARG 74 HE ARG 74 -11.192 -2.649 -9.420
575 1HH1 ARG 74 2HH2 ARG 74 -14.417 -3.900 -8.345
576 2HH1 ARG 74 1HH2 ARG 74 -13.697 -5.376 -7.810
577 1HH2 ARG 74 2HH1 ARG 74 -10.391 -4.448 -8.686
578 2HH2 ARG 74 1HH1 ARG 74 -11.335 -5.746 -7.999
579 H GLY 75 H GLY 75 -14.633 0.310 -5.269
580 1HA GLY 75 1HA GLY 75 -15.881 -0.846 -3.591
581 2HA GLY 75 2HA GLY 75 -16.929 -1.536 -4.827
582 H GLY 76 H GLY 76 -13.298 -1.620 -5.216
583 1HA GLY 76 1HA GLY 76 -13.383 -4.540 -5.193
584 2HA GLY 76 2HA GLY 76 -12.053 -3.480 -5.636
585 H LEU 77 H LEU 77 -11.826 -1.848 -3.394
586 HA LEU 77 HA LEU 77 -10.289 -3.625 -1.726
587 1HB LEU 77 1HB LEU 77 -9.807 -1.145 -2.242
588 2HB LEU 77 2HB LEU 77 -11.017 -0.739 -1.038
589 HG LEU 77 HG LEU 77 -8.304 -2.008 -0.695
590 1HD1 LEU 77 2HD1 LEU 77 -8.605 0.483 -0.706
591 2HD1 LEU 77 3HD1 LEU 77 -9.675 0.334 0.691
592 3HD1 LEU 77 1HD1 LEU 77 -7.967 -0.120 0.834
593 1HD2 LEU 77 3HD2 LEU 77 -10.418 -1.946 1.497
594 2HD2 LEU 77 1HD2 LEU 77 -9.539 -3.366 0.872
595 3HD2 LEU 77 2HD2 LEU 77 -8.675 -2.140 1.777
596 H ASP 78 H ASP 78 -13.327 -1.810 -1.300
597 HA ASP 78 HA ASP 78 -13.644 -2.174 1.426
598 1HB ASP 78 1HB ASP 78 -15.072 -0.655 0.419
599 2HB ASP 78 2HB ASP 78 -15.624 -1.797 -0.809
600 HA PRO 79 HA PRO 79 -15.812 -6.369 1.058
601 1HB PRO 79 1HB PRO 79 -15.658 -7.894 -1.233
602 2HB PRO 79 2HB PRO 79 -16.989 -6.780 -0.820
603 1HG PRO 79 1HG PRO 79 -14.608 -6.253 -2.613
604 2HG PRO 79 2HG PRO 79 -16.331 -5.858 -2.896
605 1HD PRO 79 1HD PRO 79 -14.543 -4.024 -1.986
606 2HD PRO 79 2HD PRO 79 -16.240 -4.025 -1.433
607 H LEU 80 H LEU 80 -12.618 -5.818 -0.368
608 HA LEU 80 HA LEU 80 -11.527 -8.411 0.527
609 1HB LEU 80 1HB LEU 80 -10.168 -5.843 -0.398
610 2HB LEU 80 2HB LEU 80 -9.316 -7.289 0.094
611 HG LEU 80 HG LEU 80 -11.198 -7.198 -2.274
612 1HD1 LEU 80 1HD1 LEU 80 -9.244 -5.736 -2.607
613 2HD1 LEU 80 2HD1 LEU 80 -8.156 -7.081 -2.190
614 3HD1 LEU 80 3HD1 LEU 80 -9.168 -7.160 -3.647
615 1HD2 LEU 80 2HD2 LEU 80 -9.180 -9.300 -1.357
616 2HD2 LEU 80 3HD2 LEU 80 -10.949 -9.473 -1.372
617 3HD2 LEU 80 1HD2 LEU 80 -10.065 -9.331 -2.894
618 H LEU 81 H LEU 81 -12.567 -5.537 2.039
619 HA LEU 81 HA LEU 81 -10.541 -5.497 4.083
620 1HB LEU 81 1HB LEU 81 -11.996 -3.575 3.030
621 2HB LEU 81 2HB LEU 81 -13.164 -3.999 4.255
622 HG LEU 81 HG LEU 81 -11.569 -2.041 4.600
623 1HD1 LEU 81 2HD1 LEU 81 -12.902 -3.162 6.482
624 2HD1 LEU 81 3HD1 LEU 81 -11.358 -3.870 6.985
625 3HD1 LEU 81 1HD1 LEU 81 -11.560 -2.108 6.900
626 1HD2 LEU 81 3HD2 LEU 81 -9.499 -3.246 3.897
627 2HD2 LEU 81 1HD2 LEU 81 -9.344 -2.407 5.446
628 3HD2 LEU 81 2HD2 LEU 81 -9.542 -4.155 5.428
629 H LYS 82 H LYS 82 -12.287 -8.032 3.747
630 HA LYS 82 HA LYS 82 -12.819 -8.389 6.579
631 1HB LYS 82 1HB LYS 82 -14.897 -8.334 4.817
632 2HB LYS 82 2HB LYS 82 -14.358 -9.993 4.546
633 1HG LYS 82 1HG LYS 82 -15.230 -8.679 7.155
634 2HG LYS 82 2HG LYS 82 -16.120 -9.882 6.213
635 1HD LYS 82 1HD LYS 82 -14.261 -11.535 6.670
636 2HD LYS 82 2HD LYS 82 -13.529 -10.325 7.774
637 1HE LYS 82 1HE LYS 82 -15.559 -10.181 9.058
638 2HE LYS 82 2HE LYS 82 -16.376 -11.277 7.933
639 1HZ LYS 82 1HZ LYS 82 -14.660 -12.970 8.606
640 2HZ LYS 82 2HZ LYS 82 -14.231 -11.946 9.835
641 3HZ LYS 82 3HZ LYS 82 -15.748 -12.531 9.784
642 1HB2 GTT 83 1HB2 GTT 83 6.877 8.112 -3.388
643 2HB2 GTT 83 2HB2 GTT 83 7.260 6.396 -3.218
644 HA2 GTT 83 HA2 GTT 83 8.376 8.120 -5.460
645 HN2 GTT 83 HN2 GTT 83 6.075 6.241 -5.468
646 1HG1 GTT 83 1HG1 GTT 83 4.225 7.679 -7.577
647 2HG1 GTT 83 2HG1 GTT 83 4.867 6.061 -7.222
648 1HB1 GTT 83 1HB1 GTT 83 6.286 6.198 -9.263
649 2HB1 GTT 83 2HB1 GTT 83 5.658 7.827 -9.565
650 HA1 GTT 83 HA1 GTT 83 3.309 6.817 -9.522
651 1HN1 GTT 83 1HN1 GTT 83 3.085 4.587 -9.912
652 2HN1 GTT 83 2HN1 GTT 83 4.670 4.323 -10.152
653 3HN1 GTT 83 3HN1 GTT 83 4.089 4.599 -8.610
654 HN3 GTT 83 HN3 GTT 83 10.441 6.700 -4.859
655 1HA3 GTT 83 1HA3 GTT 83 10.258 3.870 -5.065
656 2HA3 GTT 83 2HA3 GTT 83 10.705 4.575 -6.629
No H/Q in entry = 656
Start of MODEL 4
1 1H ALA 1 3H ALA 1 -8.760 -7.367 8.659
2 2H ALA 1 1H ALA 1 -9.597 -8.713 8.224
3 3H ALA 1 2H ALA 1 -8.142 -8.841 8.999
4 HA ALA 1 HA ALA 1 -7.767 -9.343 6.737
5 1HB ALA 1 1HB ALA 1 -9.018 -6.623 6.191
6 2HB ALA 1 2HB ALA 1 -8.207 -7.655 4.989
7 3HB ALA 1 3HB ALA 1 -9.701 -8.211 5.755
8 H ASN 2 H ASN 2 -5.718 -8.718 5.806
9 HA ASN 2 HA ASN 2 -4.203 -7.024 7.724
10 1HB ASN 2 1HB ASN 2 -3.605 -9.438 7.788
11 2HB ASN 2 2HB ASN 2 -3.074 -9.327 6.096
12 1HD2 ASN 2 2HD2 ASN 2 0.062 -7.941 7.163
13 2HD2 ASN 2 1HD2 ASN 2 -0.755 -8.897 5.961
14 H VAL 3 H VAL 3 -5.124 -5.438 6.414
15 HA VAL 3 HA VAL 3 -4.124 -4.840 3.752
16 HB VAL 3 HB VAL 3 -5.253 -2.868 5.778
17 1HG1 VAL 3 1HG1 VAL 3 -5.206 -2.850 2.733
18 2HG1 VAL 3 2HG1 VAL 3 -5.993 -1.633 3.766
19 3HG1 VAL 3 3HG1 VAL 3 -4.232 -1.828 3.805
20 1HG2 VAL 3 1HG2 VAL 3 -6.796 -4.727 3.943
21 2HG2 VAL 3 2HG2 VAL 3 -6.918 -4.576 5.709
22 3HG2 VAL 3 3HG2 VAL 3 -7.483 -3.263 4.682
23 H GLU 4 H GLU 4 -2.002 -4.153 3.319
24 HA GLU 4 HA GLU 4 -0.607 -2.589 5.432
25 1HB GLU 4 1HB GLU 4 0.898 -4.638 3.800
26 2HB GLU 4 2HB GLU 4 1.413 -3.720 5.208
27 1HG GLU 4 1HG GLU 4 -0.198 -4.992 6.627
28 2HG GLU 4 2HG GLU 4 -0.665 -5.939 5.217
29 H ILE 5 H ILE 5 1.109 -1.200 4.577
30 HA ILE 5 HA ILE 5 1.057 -0.679 1.697
31 HB ILE 5 HB ILE 5 -0.718 0.704 2.311
32 1HG1 ILE 5 1HG1 ILE 5 1.774 2.449 2.285
33 2HG1 ILE 5 2HG1 ILE 5 1.064 1.708 0.876
34 1HG2 ILE 5 3HG2 ILE 5 -0.398 0.717 4.816
35 2HG2 ILE 5 1HG2 ILE 5 0.832 1.977 4.589
36 3HG2 ILE 5 2HG2 ILE 5 -0.858 2.265 4.132
37 1HD1 ILE 5 1HD1 ILE 5 -1.026 3.065 1.278
38 2HD1 ILE 5 2HD1 ILE 5 -0.182 3.864 2.631
39 3HD1 ILE 5 3HD1 ILE 5 0.442 4.031 0.994
40 H TYR 6 H TYR 6 3.086 -0.631 1.085
41 HA TYR 6 HA TYR 6 5.328 -0.154 2.963
42 1HB TYR 6 1HB TYR 6 5.048 -1.064 0.099
43 2HB TYR 6 2HB TYR 6 6.555 -0.348 0.654
44 HD1 TYR 6 HD1 TYR 6 7.596 -1.213 2.834
45 HD2 TYR 6 HD2 TYR 6 4.681 -3.454 0.604
46 HE1 TYR 6 HE1 TYR 6 8.480 -3.274 3.798
47 HE2 TYR 6 HE2 TYR 6 5.513 -5.558 1.631
48 HH TYR 6 HH TYR 6 6.904 -6.099 3.999
49 H THR 7 H THR 7 6.391 1.685 3.236
50 HA THR 7 HA THR 7 5.829 4.034 1.516
51 HB THR 7 HB THR 7 5.563 5.252 3.729
52 HG1 THR 7 HG1 THR 7 5.244 4.062 5.563
53 1HG2 THR 7 3HG2 THR 7 3.570 4.422 2.320
54 2HG2 THR 7 1HG2 THR 7 3.459 3.087 3.488
55 3HG2 THR 7 2HG2 THR 7 3.256 4.766 4.027
56 H LYS 8 H LYS 8 7.343 5.892 2.294
57 HA LYS 8 HA LYS 8 9.699 5.018 3.719
58 1HB LYS 8 1HB LYS 8 11.300 5.929 2.262
59 2HB LYS 8 2HB LYS 8 10.436 4.675 1.386
60 1HG LYS 8 1HG LYS 8 9.467 6.286 -0.109
61 2HG LYS 8 2HG LYS 8 9.665 7.593 1.000
62 1HD LYS 8 1HD LYS 8 11.304 7.854 -0.747
63 2HD LYS 8 2HD LYS 8 12.132 7.470 0.765
64 1HE LYS 8 1HE LYS 8 12.099 4.997 -0.031
65 2HE LYS 8 2HE LYS 8 11.601 5.628 -1.605
66 1HZ LYS 8 3HZ LYS 8 13.710 6.996 -1.496
67 2HZ LYS 8 1HZ LYS 8 14.131 6.121 -0.168
68 3HZ LYS 8 2HZ LYS 8 13.931 5.368 -1.591
69 H GLU 9 H GLU 9 10.811 7.097 4.515
70 HA GLU 9 HA GLU 9 9.041 9.291 5.073
71 1HB GLU 9 1HB GLU 9 11.245 8.470 6.263
72 2HB GLU 9 2HB GLU 9 12.082 9.399 5.035
73 1HG GLU 9 1HG GLU 9 10.800 11.457 5.806
74 2HG GLU 9 2HG GLU 9 10.058 10.476 7.062
75 H THR 10 H THR 10 9.614 11.575 4.269
76 HA THR 10 HA THR 10 9.854 13.095 2.649
77 HB THR 10 HB THR 10 11.930 13.024 1.301
78 HG1 THR 10 HG1 THR 10 11.845 10.448 2.010
79 1HG2 THR 10 3HG2 THR 10 11.902 13.986 3.583
80 2HG2 THR 10 1HG2 THR 10 12.344 12.401 4.255
81 3HG2 THR 10 2HG2 THR 10 13.467 13.254 3.184
82 H CYS 11 H CYS 11 7.730 11.857 1.995
83 HA CYS 11 HA CYS 11 7.795 11.529 -0.907
84 1HB CYS 11 1HB CYS 11 8.550 9.329 -0.212
85 2HB CYS 11 2HB CYS 11 7.206 9.179 0.914
86 HA PRO 12 HA PRO 12 3.772 13.117 0.584
87 1HB PRO 12 1HB PRO 12 2.948 14.376 -1.644
88 2HB PRO 12 2HB PRO 12 4.114 15.104 -0.490
89 1HG PRO 12 1HG PRO 12 4.719 13.701 -3.109
90 2HG PRO 12 2HG PRO 12 5.429 15.222 -2.477
91 1HD PRO 12 1HD PRO 12 6.685 12.802 -2.255
92 2HD PRO 12 2HD PRO 12 6.812 14.053 -0.980
93 H TYR 13 H TYR 13 4.259 11.579 -2.680
94 HA TYR 13 HA TYR 13 1.675 10.563 -3.093
95 1HB TYR 13 1HB TYR 13 3.860 10.542 -4.583
96 2HB TYR 13 2HB TYR 13 4.315 9.123 -3.678
97 HD1 TYR 13 HD2 TYR 13 1.170 10.342 -5.442
98 HD2 TYR 13 HD1 TYR 13 4.110 7.230 -4.988
99 HE1 TYR 13 HE2 TYR 13 -0.058 8.953 -7.062
100 HE2 TYR 13 HE1 TYR 13 2.886 5.826 -6.610
101 HH TYR 13 HH TYR 13 -0.057 6.983 -8.306
102 H SER 14 H SER 14 4.209 9.308 -0.940
103 HA SER 14 HA SER 14 2.759 6.970 -0.057
104 1HB SER 14 1HB SER 14 5.110 6.976 0.263
105 2HB SER 14 2HB SER 14 5.071 8.553 1.073
106 HG SER 14 HG SER 14 4.910 7.555 2.837
107 H HIS 15 H HIS 15 3.077 10.346 1.282
108 HA HIS 15 HA HIS 15 1.428 9.706 3.548
109 1HB HIS 15 1HB HIS 15 2.297 12.337 2.306
110 2HB HIS 15 2HB HIS 15 1.127 12.287 3.616
111 HD1 HIS 15 HD1 HIS 15 1.956 10.999 5.945
112 HD2 HIS 15 HD2 HIS 15 4.863 12.243 3.118
113 HE1 HIS 15 HE1 HIS 15 4.245 10.900 7.124
114 HE2 HIS 15 HE2 HIS 15 5.999 11.730 5.425
115 H ARG 16 H ARG 16 0.583 11.237 0.434
116 HA ARG 16 HA ARG 16 -2.176 11.526 0.726
117 1HB ARG 16 1HB ARG 16 -0.247 11.192 -1.496
118 2HB ARG 16 2HB ARG 16 -1.794 10.487 -1.852
119 1HG ARG 16 1HG ARG 16 -2.876 12.679 -1.183
120 2HG ARG 16 2HG ARG 16 -1.245 13.388 -1.125
121 1HD ARG 16 1HD ARG 16 -0.898 12.928 -3.472
122 2HD ARG 16 2HD ARG 16 -2.298 11.845 -3.534
123 HE ARG 16 HE ARG 16 -3.046 14.538 -2.774
124 1HH1 ARG 16 2HH2 ARG 16 -2.323 12.500 -5.649
125 2HH1 ARG 16 1HH2 ARG 16 -3.559 13.220 -6.596
126 1HH2 ARG 16 2HH1 ARG 16 -4.382 15.716 -4.197
127 2HH2 ARG 16 1HH1 ARG 16 -4.552 15.219 -5.850
128 H ALA 17 H ALA 17 -0.399 8.471 -0.104
129 HA ALA 17 HA ALA 17 -2.827 7.116 -0.576
130 1HB ALA 17 3HB ALA 17 -0.092 6.025 0.174
131 2HB ALA 17 1HB ALA 17 -1.429 5.053 -0.492
132 3HB ALA 17 2HB ALA 17 -0.689 6.337 -1.472
133 H LYS 18 H LYS 18 -1.293 7.746 2.472
134 HA LYS 18 HA LYS 18 -3.067 5.792 3.843
135 1HB LYS 18 1HB LYS 18 -1.530 8.064 5.172
136 2HB LYS 18 2HB LYS 18 -2.363 6.714 5.941
137 1HG LYS 18 1HG LYS 18 -0.298 5.749 5.936
138 2HG LYS 18 2HG LYS 18 -0.792 5.265 4.327
139 1HD LYS 18 1HD LYS 18 1.079 6.273 3.574
140 2HD LYS 18 2HD LYS 18 0.256 7.797 3.857
141 1HE LYS 18 1HE LYS 18 2.264 6.388 5.607
142 2HE LYS 18 2HE LYS 18 2.419 7.970 4.859
143 1HZ LYS 18 3HZ LYS 18 0.701 8.768 6.425
144 2HZ LYS 18 1HZ LYS 18 0.635 7.275 7.130
145 3HZ LYS 18 2HZ LYS 18 2.012 8.144 7.193
146 H ALA 19 H ALA 19 -3.139 9.280 2.971
147 HA ALA 19 HA ALA 19 -5.346 9.929 4.628
148 1HB ALA 19 2HB ALA 19 -3.929 11.608 3.470
149 2HB ALA 19 3HB ALA 19 -4.668 11.132 1.919
150 3HB ALA 19 1HB ALA 19 -5.665 11.849 3.192
151 H LEU 20 H LEU 20 -5.204 8.192 1.553
152 HA LEU 20 HA LEU 20 -8.052 8.404 1.007
153 1HB LEU 20 1HB LEU 20 -6.178 7.760 -0.609
154 2HB LEU 20 2HB LEU 20 -6.154 6.166 0.129
155 HG LEU 20 HG LEU 20 -8.428 7.466 -1.443
156 1HD1 LEU 20 2HD1 LEU 20 -6.633 5.066 -2.017
157 2HD1 LEU 20 3HD1 LEU 20 -8.005 5.599 -3.014
158 3HD1 LEU 20 1HD1 LEU 20 -6.616 6.651 -2.843
159 1HD2 LEU 20 2HD2 LEU 20 -8.365 4.692 -0.173
160 2HD2 LEU 20 3HD2 LEU 20 -9.522 6.032 0.144
161 3HD2 LEU 20 1HD2 LEU 20 -9.521 5.223 -1.414
162 H LEU 21 H LEU 21 -6.084 5.744 2.320
163 HA LEU 21 HA LEU 21 -8.251 4.063 3.095
164 1HB LEU 21 1HB LEU 21 -5.319 4.349 3.877
165 2HB LEU 21 2HB LEU 21 -6.301 3.114 4.620
166 HG LEU 21 HG LEU 21 -6.331 3.303 1.596
167 1HD1 LEU 21 1HD1 LEU 21 -4.064 2.017 3.156
168 2HD1 LEU 21 2HD1 LEU 21 -4.367 1.864 1.404
169 3HD1 LEU 21 3HD1 LEU 21 -3.958 3.436 2.087
170 1HD2 LEU 21 1HD2 LEU 21 -6.425 0.964 3.556
171 2HD2 LEU 21 2HD2 LEU 21 -7.810 1.687 2.702
172 3HD2 LEU 21 3HD2 LEU 21 -6.552 0.841 1.790
173 H SER 22 H SER 22 -6.565 6.645 4.831
174 HA SER 22 HA SER 22 -7.821 6.317 7.365
175 1HB SER 22 1HB SER 22 -5.714 7.556 7.014
176 2HB SER 22 2HB SER 22 -6.529 8.662 5.902
177 HG SER 22 HG SER 22 -6.500 9.806 7.599
178 H SER 23 H SER 23 -8.656 8.400 4.428
179 HA SER 23 HA SER 23 -10.973 9.498 5.628
180 1HB SER 23 1HB SER 23 -9.873 10.331 3.539
181 2HB SER 23 2HB SER 23 -10.470 8.893 2.685
182 HG SER 23 HG SER 23 -12.538 9.748 3.915
183 H LYS 24 H LYS 24 -10.330 6.260 4.629
184 HA LYS 24 HA LYS 24 -13.206 5.563 4.472
185 1HB LYS 24 1HB LYS 24 -10.647 4.164 3.594
186 2HB LYS 24 2HB LYS 24 -12.240 3.371 3.597
187 1HG LYS 24 1HG LYS 24 -13.127 5.109 2.163
188 2HG LYS 24 2HG LYS 24 -11.593 5.973 2.141
189 1HD LYS 24 1HD LYS 24 -10.521 4.167 0.928
190 2HD LYS 24 2HD LYS 24 -11.961 3.144 1.024
191 1HE LYS 24 1HE LYS 24 -12.192 5.984 -0.028
192 2HE LYS 24 2HE LYS 24 -11.590 4.713 -1.093
193 1HZ LYS 24 3HZ LYS 24 -14.136 4.314 0.360
194 2HZ LYS 24 1HZ LYS 24 -14.052 5.014 -1.161
195 3HZ LYS 24 2HZ LYS 24 -13.492 3.513 -0.912
196 H GLY 25 H GLY 25 -11.042 5.945 6.908
197 1HA GLY 25 1HA GLY 25 -10.962 5.141 9.059
198 2HA GLY 25 2HA GLY 25 -12.563 4.454 8.761
199 H VAL 26 H VAL 26 -9.617 3.500 6.897
200 HA VAL 26 HA VAL 26 -10.356 0.732 7.584
201 HB VAL 26 HB VAL 26 -8.158 1.765 5.767
202 1HG1 VAL 26 2HG1 VAL 26 -9.339 -1.020 6.028
203 2HG1 VAL 26 3HG1 VAL 26 -8.343 -0.489 4.660
204 3HG1 VAL 26 1HG1 VAL 26 -7.645 -0.530 6.273
205 1HG2 VAL 26 3HG2 VAL 26 -10.402 2.465 4.979
206 2HG2 VAL 26 1HG2 VAL 26 -9.744 1.238 3.899
207 3HG2 VAL 26 2HG2 VAL 26 -10.985 0.806 5.089
208 H SER 27 H SER 27 -8.785 -0.756 8.372
209 HA SER 27 HA SER 27 -6.713 0.425 10.161
210 1HB SER 27 1HB SER 27 -8.540 -1.076 11.188
211 2HB SER 27 2HB SER 27 -7.745 -2.421 10.341
212 HG SER 27 HG SER 27 -6.717 -2.335 12.239
213 H PHE 28 H PHE 28 -4.923 0.566 8.954
214 HA PHE 28 HA PHE 28 -4.113 -1.729 7.241
215 1HB PHE 28 1HB PHE 28 -2.930 -0.072 5.815
216 2HB PHE 28 2HB PHE 28 -4.672 0.094 5.796
217 HD1 PHE 28 HD1 PHE 28 -5.807 2.032 6.822
218 HD2 PHE 28 HD2 PHE 28 -1.496 1.694 6.878
219 HE1 PHE 28 HE1 PHE 28 -5.624 4.420 7.435
220 HE2 PHE 28 HE2 PHE 28 -1.328 4.082 7.483
221 HZ PHE 28 HZ PHE 28 -3.393 5.458 7.743
222 H GLN 29 H GLN 29 -1.518 -1.341 6.869
223 HA GLN 29 HA GLN 29 -0.242 -0.733 9.449
224 1HB GLN 29 1HB GLN 29 -0.742 -3.287 9.071
225 2HB GLN 29 2HB GLN 29 0.536 -3.205 7.862
226 1HG GLN 29 1HG GLN 29 2.090 -2.295 9.578
227 2HG GLN 29 2HG GLN 29 0.789 -2.374 10.781
228 1HE2 GLN 29 2HE2 GLN 29 2.919 -5.681 9.934
229 2HE2 GLN 29 1HE2 GLN 29 3.478 -4.008 9.804
230 H GLU 30 H GLU 30 0.901 0.972 8.812
231 HA GLU 30 HA GLU 30 2.111 1.259 6.199
232 1HB GLU 30 1HB GLU 30 1.689 2.962 8.405
233 2HB GLU 30 2HB GLU 30 3.439 2.658 8.445
234 1HG GLU 30 1HG GLU 30 3.306 3.125 5.880
235 2HG GLU 30 2HG GLU 30 1.749 3.870 6.238
236 H LEU 31 H LEU 31 4.201 0.724 5.556
237 HA LEU 31 HA LEU 31 5.876 -0.910 7.405
238 1HB LEU 31 1HB LEU 31 5.157 -1.564 4.555
239 2HB LEU 31 2HB LEU 31 6.357 -2.400 5.540
240 HG LEU 31 HG LEU 31 3.356 -2.280 6.076
241 1HD1 LEU 31 1HD1 LEU 31 5.226 -4.449 5.084
242 2HD1 LEU 31 2HD1 LEU 31 3.506 -4.673 5.460
243 3HD1 LEU 31 3HD1 LEU 31 3.987 -3.589 4.132
244 1HD2 LEU 31 1HD2 LEU 31 5.518 -3.886 7.517
245 2HD2 LEU 31 2HD2 LEU 31 4.528 -2.587 8.225
246 3HD2 LEU 31 3HD2 LEU 31 3.763 -4.095 7.695
247 HA PRO 32 HA PRO 32 8.502 2.389 5.620
248 1HB PRO 32 1HB PRO 32 10.381 1.582 7.805
249 2HB PRO 32 2HB PRO 32 9.718 3.185 7.424
250 1HG PRO 32 1HG PRO 32 8.876 1.707 9.589
251 2HG PRO 32 2HG PRO 32 7.775 2.789 8.678
252 1HD PRO 32 1HD PRO 32 8.049 -0.217 8.437
253 2HD PRO 32 2HD PRO 32 6.572 0.779 8.455
254 H ILE 33 H ILE 33 9.421 1.608 3.709
255 HA ILE 33 HA ILE 33 11.248 -0.710 3.794
256 HB ILE 33 HB ILE 33 11.974 0.405 1.542
257 1HG1 ILE 33 1HG1 ILE 33 9.100 1.107 1.208
258 2HG1 ILE 33 2HG1 ILE 33 10.228 2.291 1.865
259 1HG2 ILE 33 3HG2 ILE 33 11.072 -1.894 1.878
260 2HG2 ILE 33 1HG2 ILE 33 9.440 -1.235 1.756
261 3HG2 ILE 33 2HG2 ILE 33 10.509 -1.165 0.359
262 1HD1 ILE 33 3HD1 ILE 33 11.739 2.021 -0.065
263 2HD1 ILE 33 1HD1 ILE 33 10.608 0.850 -0.787
264 3HD1 ILE 33 2HD1 ILE 33 10.135 2.542 -0.557
265 H ASP 34 H ASP 34 11.536 2.767 4.209
266 HA ASP 34 HA ASP 34 14.109 3.170 3.175
267 1HB ASP 34 1HB ASP 34 12.659 5.020 3.693
268 2HB ASP 34 2HB ASP 34 12.682 4.624 5.414
269 H GLY 35 H GLY 35 13.273 2.235 6.551
270 1HA GLY 35 1HA GLY 35 15.921 2.580 7.547
271 2HA GLY 35 2HA GLY 35 14.620 1.664 8.313
272 H ASN 36 H ASN 36 14.575 -0.031 5.581
273 HA ASN 36 HA ASN 36 16.880 -1.782 6.212
274 1HB ASN 36 1HB ASN 36 14.972 -3.607 5.816
275 2HB ASN 36 2HB ASN 36 15.307 -2.899 7.394
276 1HD2 ASN 36 2HD2 ASN 36 11.932 -1.370 5.619
277 2HD2 ASN 36 1HD2 ASN 36 13.327 -1.756 4.604
278 H ALA 37 H ALA 37 17.767 -0.886 4.245
279 HA ALA 37 HA ALA 37 16.711 -1.113 1.698
280 1HB ALA 37 1HB ALA 37 18.891 -0.092 2.182
281 2HB ALA 37 2HB ALA 37 19.561 -1.685 2.609
282 3HB ALA 37 3HB ALA 37 19.059 -1.344 0.943
283 H ALA 38 H ALA 38 17.692 -3.704 3.797
284 HA ALA 38 HA ALA 38 17.786 -5.858 1.936
285 1HB ALA 38 2HB ALA 38 18.506 -6.067 4.304
286 2HB ALA 38 3HB ALA 38 16.816 -5.895 4.832
287 3HB ALA 38 1HB ALA 38 17.310 -7.299 3.869
288 H LYS 39 H LYS 39 14.977 -4.899 4.032
289 HA LYS 39 HA LYS 39 13.242 -6.497 2.444
290 1HB LYS 39 1HB LYS 39 12.958 -5.720 4.908
291 2HB LYS 39 2HB LYS 39 12.154 -4.300 4.215
292 1HG LYS 39 1HG LYS 39 10.484 -5.733 3.129
293 2HG LYS 39 2HG LYS 39 11.425 -7.181 3.500
294 1HD LYS 39 1HD LYS 39 9.573 -7.146 4.971
295 2HD LYS 39 2HD LYS 39 11.034 -6.841 5.922
296 1HE LYS 39 1HE LYS 39 10.528 -4.446 6.010
297 2HE LYS 39 2HE LYS 39 9.155 -4.674 4.906
298 1HZ LYS 39 1HZ LYS 39 9.348 -5.889 7.577
299 2HZ LYS 39 2HZ LYS 39 8.501 -4.512 7.232
300 3HZ LYS 39 3HZ LYS 39 8.044 -5.947 6.568
301 H ARG 40 H ARG 40 14.332 -3.187 1.982
302 HA ARG 40 HA ARG 40 12.386 -2.364 0.093
303 1HB ARG 40 1HB ARG 40 14.434 -1.144 1.186
304 2HB ARG 40 2HB ARG 40 15.353 -1.773 -0.172
305 1HG ARG 40 1HG ARG 40 12.925 0.033 -0.296
306 2HG ARG 40 2HG ARG 40 14.589 0.562 -0.395
307 1HD ARG 40 1HD ARG 40 12.904 -0.871 -2.458
308 2HD ARG 40 2HD ARG 40 13.718 0.676 -2.570
309 HE ARG 40 HE ARG 40 15.574 -1.545 -2.161
310 1HH1 ARG 40 2HH2 ARG 40 13.827 0.274 -4.711
311 2HH1 ARG 40 1HH2 ARG 40 14.861 -0.360 -5.968
312 1HH2 ARG 40 2HH1 ARG 40 16.822 -2.326 -3.813
313 2HH2 ARG 40 1HH1 ARG 40 16.579 -1.870 -5.468
314 H GLU 41 H GLU 41 15.312 -4.456 -0.320
315 HA GLU 41 HA GLU 41 14.823 -4.951 -3.108
316 1HB GLU 41 1HB GLU 41 16.679 -5.956 -1.024
317 2HB GLU 41 2HB GLU 41 16.085 -7.236 -2.073
318 1HG GLU 41 1HG GLU 41 17.944 -6.570 -3.218
319 2HG GLU 41 2HG GLU 41 16.705 -5.643 -4.053
320 H GLU 42 H GLU 42 13.932 -6.763 -0.120
321 HA GLU 42 HA GLU 42 12.704 -8.967 -1.302
322 1HB GLU 42 1HB GLU 42 13.130 -8.564 1.168
323 2HB GLU 42 2HB GLU 42 11.732 -7.499 1.163
324 1HG GLU 42 1HG GLU 42 10.854 -9.438 1.995
325 2HG GLU 42 2HG GLU 42 10.370 -9.518 0.305
326 H MET 43 H MET 43 11.258 -5.803 -0.554
327 HA MET 43 HA MET 43 8.631 -6.292 -1.369
328 1HB MET 43 1HB MET 43 9.553 -4.425 0.008
329 2HB MET 43 2HB MET 43 10.149 -3.665 -1.470
330 1HG MET 43 1HG MET 43 7.225 -4.416 -1.121
331 2HG MET 43 2HG MET 43 7.865 -2.976 -0.349
332 1HE MET 43 3HE MET 43 9.745 -1.530 -2.087
333 2HE MET 43 1HE MET 43 8.760 -0.569 -3.199
334 3HE MET 43 2HE MET 43 8.313 -0.690 -1.477
335 H ILE 44 H ILE 44 11.469 -5.776 -3.423
336 HA ILE 44 HA ILE 44 10.039 -5.044 -5.800
337 HB ILE 44 HB ILE 44 12.632 -6.616 -5.554
338 1HG1 ILE 44 1HG1 ILE 44 12.169 -3.633 -5.946
339 2HG1 ILE 44 2HG1 ILE 44 12.745 -4.401 -4.465
340 1HG2 ILE 44 3HG2 ILE 44 11.611 -6.873 -7.797
341 2HG2 ILE 44 1HG2 ILE 44 11.477 -5.108 -7.946
342 3HG2 ILE 44 2HG2 ILE 44 13.060 -5.902 -7.892
343 1HD1 ILE 44 1HD1 ILE 44 14.767 -5.199 -5.679
344 2HD1 ILE 44 2HD1 ILE 44 14.255 -4.195 -7.068
345 3HD1 ILE 44 3HD1 ILE 44 14.611 -3.439 -5.516
346 H LYS 45 H LYS 45 10.876 -8.193 -4.276
347 HA LYS 45 HA LYS 45 9.671 -9.714 -6.451
348 1HB LYS 45 1HB LYS 45 10.623 -11.462 -5.539
349 2HB LYS 45 2HB LYS 45 11.439 -10.330 -4.475
350 1HG LYS 45 1HG LYS 45 9.572 -10.704 -2.781
351 2HG LYS 45 2HG LYS 45 8.966 -11.996 -3.851
352 1HD LYS 45 1HD LYS 45 11.170 -13.121 -3.734
353 2HD LYS 45 2HD LYS 45 11.795 -11.780 -2.744
354 1HE LYS 45 1HE LYS 45 9.975 -12.300 -1.055
355 2HE LYS 45 2HE LYS 45 9.652 -13.795 -1.972
356 1HZ LYS 45 3HZ LYS 45 11.987 -14.380 -1.609
357 2HZ LYS 45 1HZ LYS 45 12.194 -12.970 -0.725
358 3HZ LYS 45 2HZ LYS 45 11.237 -14.146 -0.171
359 H ARG 46 H ARG 46 8.553 -8.382 -3.353
360 HA ARG 46 HA ARG 46 5.956 -9.624 -3.391
361 1HB ARG 46 1HB ARG 46 6.748 -6.881 -2.342
362 2HB ARG 46 2HB ARG 46 5.244 -7.673 -2.003
363 1HG ARG 46 1HG ARG 46 7.898 -8.844 -1.105
364 2HG ARG 46 2HG ARG 46 6.946 -7.660 -0.213
365 1HD ARG 46 1HD ARG 46 5.951 -9.385 0.773
366 2HD ARG 46 2HD ARG 46 4.977 -9.475 -0.682
367 HE ARG 46 HE ARG 46 5.970 -11.443 -1.246
368 1HH1 ARG 46 2HH2 ARG 46 8.007 -9.875 1.263
369 2HH1 ARG 46 1HH2 ARG 46 8.732 -11.349 1.790
370 1HH2 ARG 46 2HH1 ARG 46 7.106 -13.397 -0.611
371 2HH2 ARG 46 1HH1 ARG 46 8.371 -13.310 0.583
372 H SER 47 H SER 47 7.237 -7.102 -5.528
373 HA SER 47 HA SER 47 4.410 -6.506 -6.299
374 1HB SER 47 1HB SER 47 5.039 -4.173 -6.368
375 2HB SER 47 2HB SER 47 5.195 -4.837 -4.737
376 HG SER 47 HG SER 47 7.421 -4.828 -4.960
377 H GLY 48 H GLY 48 7.483 -7.267 -7.716
378 1HA GLY 48 1HA GLY 48 8.163 -7.147 -9.946
379 2HA GLY 48 2HA GLY 48 6.496 -6.806 -10.401
380 H ARG 49 H ARG 49 8.001 -4.714 -7.987
381 HA ARG 49 HA ARG 49 8.385 -2.473 -9.870
382 1HB ARG 49 1HB ARG 49 6.316 -2.710 -7.674
383 2HB ARG 49 2HB ARG 49 6.865 -1.133 -8.234
384 1HG ARG 49 1HG ARG 49 5.948 -1.398 -10.384
385 2HG ARG 49 2HG ARG 49 5.655 -3.148 -10.142
386 1HD ARG 49 1HD ARG 49 4.151 -2.645 -8.273
387 2HD ARG 49 2HD ARG 49 4.347 -0.908 -8.552
388 HE ARG 49 HE ARG 49 3.113 -2.942 -10.375
389 1HH1 ARG 49 2HH2 ARG 49 3.367 0.533 -9.490
390 2HH1 ARG 49 1HH2 ARG 49 1.843 0.901 -10.254
391 1HH2 ARG 49 2HH1 ARG 49 1.091 -2.365 -11.273
392 2HH2 ARG 49 1HH1 ARG 49 0.417 -0.808 -10.939
393 H THR 50 H THR 50 8.887 -0.509 -8.349
394 HA THR 50 HA THR 50 10.677 -1.343 -6.126
395 HB THR 50 HB THR 50 12.151 0.589 -7.208
396 HG1 THR 50 HG1 THR 50 11.956 0.788 -9.355
397 1HG2 THR 50 3HG2 THR 50 12.019 -2.210 -8.423
398 2HG2 THR 50 1HG2 THR 50 13.377 -1.077 -8.578
399 3HG2 THR 50 2HG2 THR 50 12.943 -1.714 -6.988
400 H THR 51 H THR 51 8.727 1.244 -7.733
401 HA THR 51 HA THR 51 9.441 3.154 -5.722
402 HB THR 51 HB THR 51 7.601 4.492 -6.888
403 HG1 THR 51 HG1 THR 51 7.774 2.389 -8.799
404 1HG2 THR 51 3HG2 THR 51 9.899 3.341 -8.554
405 2HG2 THR 51 1HG2 THR 51 8.973 4.801 -8.948
406 3HG2 THR 51 2HG2 THR 51 9.963 4.750 -7.484
407 H VAL 52 H VAL 52 8.337 3.927 -4.067
408 HA VAL 52 HA VAL 52 5.900 2.505 -3.131
409 HB VAL 52 HB VAL 52 6.389 4.127 -1.060
410 1HG1 VAL 52 3HG1 VAL 52 6.374 1.658 -1.084
411 2HG1 VAL 52 1HG1 VAL 52 8.070 1.682 -1.633
412 3HG1 VAL 52 2HG1 VAL 52 7.618 2.355 -0.040
413 1HG2 VAL 52 3HG2 VAL 52 9.185 3.871 -2.238
414 2HG2 VAL 52 1HG2 VAL 52 8.255 5.367 -2.005
415 3HG2 VAL 52 2HG2 VAL 52 8.739 4.383 -0.608
416 HA PRO 53 HA PRO 53 4.520 3.095 -1.306
417 1HB PRO 53 1HB PRO 53 1.937 3.433 -0.765
418 2HB PRO 53 2HB PRO 53 3.116 4.701 -0.298
419 1HG PRO 53 1HG PRO 53 1.334 4.593 -2.750
420 2HG PRO 53 2HG PRO 53 1.589 5.970 -1.641
421 1HD PRO 53 1HD PRO 53 2.935 5.547 -4.035
422 2HD PRO 53 2HD PRO 53 3.597 6.546 -2.696
423 H GLN 54 H GLN 54 3.186 1.126 -1.226
424 HA GLN 54 HA GLN 54 1.587 0.454 -3.580
425 1HB GLN 54 1HB GLN 54 3.914 -1.296 -2.644
426 2HB GLN 54 2HB GLN 54 2.671 -1.729 -3.825
427 1HG GLN 54 1HG GLN 54 3.465 0.312 -5.197
428 2HG GLN 54 2HG GLN 54 4.853 0.380 -4.080
429 1HE2 GLN 54 2HE2 GLN 54 6.503 -2.334 -5.671
430 2HE2 GLN 54 1HE2 GLN 54 6.630 -0.787 -4.850
431 H ILE 55 H ILE 55 -0.010 -1.278 -2.945
432 HA ILE 55 HA ILE 55 -0.186 -1.447 -0.005
433 HB ILE 55 HB ILE 55 -2.368 -0.791 -2.037
434 1HG1 ILE 55 1HG1 ILE 55 -2.295 1.322 -0.264
435 2HG1 ILE 55 2HG1 ILE 55 -0.617 0.875 -0.259
436 1HG2 ILE 55 2HG2 ILE 55 -2.485 -1.009 1.008
437 2HG2 ILE 55 3HG2 ILE 55 -3.788 -0.395 -0.020
438 3HG2 ILE 55 1HG2 ILE 55 -3.301 -2.078 -0.156
439 1HD1 ILE 55 3HD1 ILE 55 -0.589 1.189 -2.786
440 2HD1 ILE 55 1HD1 ILE 55 -2.264 1.737 -2.662
441 3HD1 ILE 55 2HD1 ILE 55 -0.979 2.645 -1.859
442 H PHE 56 H PHE 56 -1.375 -3.268 0.713
443 HA PHE 56 HA PHE 56 -1.609 -5.591 -1.096
444 1HB PHE 56 1HB PHE 56 -0.038 -5.400 1.530
445 2HB PHE 56 2HB PHE 56 -0.433 -6.901 0.712
446 HD1 PHE 56 HD1 PHE 56 1.477 -3.673 0.257
447 HD2 PHE 56 HD2 PHE 56 1.027 -7.796 -0.935
448 HE1 PHE 56 HE1 PHE 56 3.413 -3.453 -1.270
449 HE2 PHE 56 HE2 PHE 56 3.022 -7.607 -2.340
450 HZ PHE 56 HZ PHE 56 4.198 -5.422 -2.589
451 H ILE 57 H ILE 57 -3.205 -7.015 -0.327
452 HA ILE 57 HA ILE 57 -4.428 -6.454 2.327
453 HB ILE 57 HB ILE 57 -6.022 -6.931 -0.224
454 1HG1 ILE 57 1HG1 ILE 57 -6.260 -4.662 1.799
455 2HG1 ILE 57 2HG1 ILE 57 -5.309 -4.517 0.346
456 1HG2 ILE 57 1HG2 ILE 57 -6.883 -6.959 2.712
457 2HG2 ILE 57 2HG2 ILE 57 -8.016 -6.915 1.354
458 3HG2 ILE 57 3HG2 ILE 57 -6.971 -8.307 1.560
459 1HD1 ILE 57 2HD1 ILE 57 -7.387 -5.020 -1.018
460 2HD1 ILE 57 3HD1 ILE 57 -8.323 -4.895 0.490
461 3HD1 ILE 57 1HD1 ILE 57 -7.412 -3.502 -0.103
462 H ASP 58 H ASP 58 -3.968 -8.203 3.465
463 HA ASP 58 HA ASP 58 -3.577 -10.329 4.094
464 1HB ASP 58 1HB ASP 58 -5.205 -11.241 1.729
465 2HB ASP 58 2HB ASP 58 -4.911 -12.105 3.236
466 H ALA 59 H ALA 59 -1.774 -9.018 2.557
467 HA ALA 59 HA ALA 59 0.185 -9.093 1.464
468 1HB ALA 59 1HB ALA 59 0.578 -11.165 2.848
469 2HB ALA 59 2HB ALA 59 0.110 -12.107 1.411
470 3HB ALA 59 3HB ALA 59 1.507 -11.032 1.342
471 H GLN 60 H GLN 60 -2.657 -9.968 -0.045
472 HA GLN 60 HA GLN 60 -1.505 -10.611 -2.674
473 1HB GLN 60 1HB GLN 60 -4.311 -9.778 -1.883
474 2HB GLN 60 2HB GLN 60 -3.816 -10.330 -3.474
475 1HG GLN 60 1HG GLN 60 -3.436 -12.565 -2.680
476 2HG GLN 60 2HG GLN 60 -3.513 -12.064 -0.986
477 1HE2 GLN 60 2HE2 GLN 60 -7.046 -11.902 -0.714
478 2HE2 GLN 60 1HE2 GLN 60 -5.519 -11.357 -0.087
479 H HIS 61 H HIS 61 -0.325 -9.065 -3.514
480 HA HIS 61 HA HIS 61 -0.278 -6.324 -2.927
481 1HB HIS 61 1HB HIS 61 1.542 -7.653 -4.013
482 2HB HIS 61 2HB HIS 61 0.498 -7.992 -5.367
483 HD1 HIS 61 HD1 HIS 61 1.743 -6.921 -7.305
484 HD2 HIS 61 HD2 HIS 61 1.403 -4.469 -3.855
485 HE1 HIS 61 HE1 HIS 61 2.770 -4.666 -7.910
486 HE2 HIS 61 HE2 HIS 61 2.594 -3.170 -5.837
487 H ILE 62 H ILE 62 -1.502 -4.570 -3.618
488 HA ILE 62 HA ILE 62 -3.693 -5.055 -5.464
489 HB ILE 62 HB ILE 62 -2.790 -2.360 -4.386
490 1HG1 ILE 62 1HG1 ILE 62 -3.024 -3.505 -2.404
491 2HG1 ILE 62 2HG1 ILE 62 -4.508 -2.623 -2.601
492 1HG2 ILE 62 2HG2 ILE 62 -5.443 -3.469 -5.406
493 2HG2 ILE 62 3HG2 ILE 62 -5.241 -1.868 -4.683
494 3HG2 ILE 62 1HG2 ILE 62 -4.428 -2.250 -6.204
495 1HD1 ILE 62 2HD1 ILE 62 -4.232 -5.582 -3.196
496 2HD1 ILE 62 3HD1 ILE 62 -4.923 -4.888 -1.742
497 3HD1 ILE 62 1HD1 ILE 62 -5.728 -4.624 -3.294
498 H GLY 63 H GLY 63 -1.000 -2.683 -5.392
499 1HA GLY 63 1HA GLY 63 0.246 -2.836 -7.807
500 2HA GLY 63 2HA GLY 63 -1.271 -1.948 -8.116
501 H GLY 64 H GLY 64 -0.204 0.083 -8.330
502 1HA GLY 64 1HA GLY 64 1.278 1.292 -6.081
503 2HA GLY 64 2HA GLY 64 0.861 2.046 -7.621
504 H TYR 65 H TYR 65 0.211 3.881 -6.207
505 HA TYR 65 HA TYR 65 -2.039 3.651 -4.356
506 1HB TYR 65 1HB TYR 65 -0.353 5.448 -3.977
507 2HB TYR 65 2HB TYR 65 -0.612 6.035 -5.601
508 HD1 TYR 65 HD2 TYR 65 -2.796 5.140 -2.665
509 HD2 TYR 65 HD1 TYR 65 -1.938 7.988 -5.802
510 HE1 TYR 65 HE2 TYR 65 -4.539 6.630 -1.799
511 HE2 TYR 65 HE1 TYR 65 -3.640 9.518 -4.877
512 HH TYR 65 HH TYR 65 -5.123 9.944 -2.996
513 H ASP 66 H ASP 66 -1.577 4.988 -7.678
514 HA ASP 66 HA ASP 66 -4.324 5.902 -7.846
515 1HB ASP 66 1HB ASP 66 -2.284 5.252 -10.006
516 2HB ASP 66 2HB ASP 66 -3.833 5.978 -10.307
517 H ASP 67 H ASP 67 -2.633 2.942 -8.426
518 HA ASP 67 HA ASP 67 -4.707 1.468 -9.777
519 1HB ASP 67 1HB ASP 67 -2.552 0.339 -7.953
520 2HB ASP 67 2HB ASP 67 -3.554 -0.560 -9.072
521 H LEU 68 H LEU 68 -3.705 1.710 -6.269
522 HA LEU 68 HA LEU 68 -5.843 0.124 -5.243
523 1HB LEU 68 1HB LEU 68 -3.931 0.813 -3.838
524 2HB LEU 68 2HB LEU 68 -4.425 2.502 -3.973
525 HG LEU 68 HG LEU 68 -6.704 1.726 -2.878
526 1HD1 LEU 68 3HD1 LEU 68 -4.845 -0.557 -2.161
527 2HD1 LEU 68 1HD1 LEU 68 -6.359 -0.212 -1.325
528 3HD1 LEU 68 2HD1 LEU 68 -6.397 -0.679 -3.030
529 1HD2 LEU 68 2HD2 LEU 68 -5.112 3.189 -1.772
530 2HD2 LEU 68 3HD2 LEU 68 -5.912 2.061 -0.674
531 3HD2 LEU 68 1HD2 LEU 68 -4.233 1.764 -1.174
532 H TYR 69 H TYR 69 -5.648 3.617 -5.765
533 HA TYR 69 HA TYR 69 -8.156 4.388 -4.785
534 1HB TYR 69 1HB TYR 69 -6.192 5.824 -5.468
535 2HB TYR 69 2HB TYR 69 -6.598 5.554 -7.144
536 HD1 TYR 69 HD1 TYR 69 -9.665 6.048 -7.140
537 HD2 TYR 69 HD2 TYR 69 -6.378 8.091 -5.198
538 HE1 TYR 69 HE1 TYR 69 -11.008 8.053 -6.998
539 HE2 TYR 69 HE2 TYR 69 -7.751 10.121 -5.041
540 HH TYR 69 HH TYR 69 -11.148 10.221 -6.224
541 H ALA 70 H ALA 70 -7.224 3.381 -8.136
542 HA ALA 70 HA ALA 70 -9.895 3.563 -9.185
543 1HB ALA 70 1HB ALA 70 -7.791 3.555 -10.553
544 2HB ALA 70 2HB ALA 70 -7.564 1.843 -10.152
545 3HB ALA 70 3HB ALA 70 -8.978 2.367 -11.096
546 H LEU 71 H LEU 71 -8.120 1.054 -7.488
547 HA LEU 71 HA LEU 71 -9.979 -1.112 -8.017
548 1HB LEU 71 1HB LEU 71 -7.490 -1.188 -7.215
549 2HB LEU 71 2HB LEU 71 -8.128 -0.937 -5.607
550 HG LEU 71 HG LEU 71 -7.591 -3.231 -6.050
551 1HD1 LEU 71 3HD1 LEU 71 -9.382 -2.798 -4.521
552 2HD1 LEU 71 1HD1 LEU 71 -10.543 -3.055 -5.860
553 3HD1 LEU 71 2HD1 LEU 71 -9.505 -4.381 -5.309
554 1HD2 LEU 71 3HD2 LEU 71 -7.939 -3.281 -8.484
555 2HD2 LEU 71 1HD2 LEU 71 -8.700 -4.644 -7.659
556 3HD2 LEU 71 2HD2 LEU 71 -9.694 -3.294 -8.232
557 H ASP 72 H ASP 72 -9.582 1.303 -5.394
558 HA ASP 72 HA ASP 72 -11.768 0.440 -3.746
559 1HB ASP 72 1HB ASP 72 -10.147 2.004 -2.886
560 2HB ASP 72 2HB ASP 72 -10.479 3.166 -4.161
561 H ALA 73 H ALA 73 -11.557 3.043 -6.160
562 HA ALA 73 HA ALA 73 -14.253 3.678 -6.312
563 1HB ALA 73 2HB ALA 73 -12.420 5.031 -7.281
564 2HB ALA 73 3HB ALA 73 -12.188 3.811 -8.553
565 3HB ALA 73 1HB ALA 73 -13.692 4.743 -8.478
566 H ARG 74 H ARG 74 -12.734 0.918 -7.776
567 HA ARG 74 HA ARG 74 -15.010 0.271 -9.513
568 1HB ARG 74 1HB ARG 74 -13.694 -1.314 -10.373
569 2HB ARG 74 2HB ARG 74 -12.411 -0.477 -9.599
570 1HG ARG 74 1HG ARG 74 -11.825 -2.465 -8.664
571 2HG ARG 74 2HG ARG 74 -13.149 -2.259 -7.576
572 1HD ARG 74 1HD ARG 74 -14.514 -3.243 -9.737
573 2HD ARG 74 2HD ARG 74 -12.961 -3.989 -10.028
574 HE ARG 74 HE ARG 74 -14.895 -4.526 -7.907
575 1HH1 ARG 74 2HH2 ARG 74 -11.510 -5.055 -8.926
576 2HH1 ARG 74 1HH2 ARG 74 -11.240 -6.345 -7.807
577 1HH2 ARG 74 2HH1 ARG 74 -14.516 -6.258 -6.423
578 2HH2 ARG 74 1HH1 ARG 74 -12.934 -6.972 -6.372
579 H GLY 75 H GLY 75 -14.383 -0.033 -6.172
580 1HA GLY 75 1HA GLY 75 -15.466 -1.059 -4.468
581 2HA GLY 75 2HA GLY 75 -16.653 -1.733 -5.607
582 H GLY 76 H GLY 76 -12.986 -2.068 -5.194
583 1HA GLY 76 1HA GLY 76 -13.500 -4.960 -4.656
584 2HA GLY 76 2HA GLY 76 -12.148 -4.380 -5.614
585 H LEU 77 H LEU 77 -11.723 -2.005 -3.717
586 HA LEU 77 HA LEU 77 -10.012 -3.392 -1.826
587 1HB LEU 77 1HB LEU 77 -9.644 -1.048 -2.761
588 2HB LEU 77 2HB LEU 77 -10.994 -0.482 -1.802
589 HG LEU 77 HG LEU 77 -8.281 -1.408 -0.857
590 1HD1 LEU 77 1HD1 LEU 77 -8.599 0.916 -1.659
591 2HD1 LEU 77 2HD1 LEU 77 -9.901 1.152 -0.474
592 3HD1 LEU 77 3HD1 LEU 77 -8.232 0.885 0.072
593 1HD2 LEU 77 3HD2 LEU 77 -10.675 -0.868 0.947
594 2HD2 LEU 77 1HD2 LEU 77 -9.651 -2.329 0.894
595 3HD2 LEU 77 2HD2 LEU 77 -8.985 -0.823 1.488
596 H ASP 78 H ASP 78 -13.058 -1.598 -1.719
597 HA ASP 78 HA ASP 78 -13.418 -1.761 1.087
598 1HB ASP 78 1HB ASP 78 -14.499 -0.117 -0.377
599 2HB ASP 78 2HB ASP 78 -15.555 -1.362 -1.039
600 HA PRO 79 HA PRO 79 -16.086 -5.682 0.621
601 1HB PRO 79 1HB PRO 79 -16.115 -7.174 -1.677
602 2HB PRO 79 2HB PRO 79 -17.240 -5.815 -1.366
603 1HG PRO 79 1HG PRO 79 -14.621 -5.779 -2.895
604 2HG PRO 79 2HG PRO 79 -16.220 -5.155 -3.422
605 1HD PRO 79 1HD PRO 79 -14.386 -3.494 -2.370
606 2HD PRO 79 2HD PRO 79 -16.104 -3.325 -1.930
607 H LEU 80 H LEU 80 -12.774 -5.424 -0.457
608 HA LEU 80 HA LEU 80 -12.192 -8.230 0.343
609 1HB LEU 80 1HB LEU 80 -10.491 -5.984 -0.783
610 2HB LEU 80 2HB LEU 80 -9.767 -7.384 -0.019
611 HG LEU 80 HG LEU 80 -11.597 -7.598 -2.431
612 1HD1 LEU 80 3HD1 LEU 80 -8.547 -7.702 -2.183
613 2HD1 LEU 80 1HD1 LEU 80 -9.477 -8.041 -3.660
614 3HD1 LEU 80 2HD1 LEU 80 -9.494 -6.418 -2.964
615 1HD2 LEU 80 2HD2 LEU 80 -9.799 -9.645 -1.046
616 2HD2 LEU 80 3HD2 LEU 80 -11.572 -9.682 -1.114
617 3HD2 LEU 80 1HD2 LEU 80 -10.639 -9.890 -2.595
618 H LEU 81 H LEU 81 -12.731 -5.238 1.908
619 HA LEU 81 HA LEU 81 -10.672 -5.447 3.890
620 1HB LEU 81 1HB LEU 81 -12.443 -3.542 3.157
621 2HB LEU 81 2HB LEU 81 -13.340 -4.207 4.513
622 HG LEU 81 HG LEU 81 -10.617 -2.854 4.459
623 1HD1 LEU 81 1HD1 LEU 81 -12.609 -1.413 4.374
624 2HD1 LEU 81 2HD1 LEU 81 -13.251 -2.177 5.841
625 3HD1 LEU 81 3HD1 LEU 81 -11.769 -1.213 5.920
626 1HD2 LEU 81 2HD2 LEU 81 -11.878 -4.064 6.938
627 2HD2 LEU 81 3HD2 LEU 81 -10.358 -4.586 6.168
628 3HD2 LEU 81 1HD2 LEU 81 -10.478 -2.992 6.907
629 H LYS 82 H LYS 82 -13.482 -7.450 3.352
630 HA LYS 82 HA LYS 82 -14.225 -7.976 6.063
631 1HB LYS 82 1HB LYS 82 -14.886 -9.646 3.648
632 2HB LYS 82 2HB LYS 82 -15.858 -9.348 5.055
633 1HG LYS 82 1HG LYS 82 -15.313 -7.159 2.983
634 2HG LYS 82 2HG LYS 82 -16.545 -8.377 2.782
635 1HD LYS 82 1HD LYS 82 -17.493 -6.323 3.625
636 2HD LYS 82 2HD LYS 82 -17.757 -7.684 4.710
637 1HE LYS 82 1HE LYS 82 -15.332 -6.407 5.558
638 2HE LYS 82 2HE LYS 82 -16.467 -5.107 5.194
639 1HZ LYS 82 2HZ LYS 82 -17.080 -7.413 6.942
640 2HZ LYS 82 3HZ LYS 82 -16.624 -5.951 7.515
641 3HZ LYS 82 1HZ LYS 82 -18.055 -6.138 6.674
642 1HB2 GTT 83 1HB2 GTT 83 8.253 7.305 -2.735
643 2HB2 GTT 83 2HB2 GTT 83 9.535 8.514 -2.689
644 HA2 GTT 83 HA2 GTT 83 9.643 8.573 -5.095
645 HN2 GTT 83 HN2 GTT 83 7.320 6.719 -5.250
646 1HG1 GTT 83 1HG1 GTT 83 5.593 7.287 -6.655
647 2HG1 GTT 83 2HG1 GTT 83 6.648 7.160 -8.034
648 1HB1 GTT 83 1HB1 GTT 83 6.132 9.591 -8.591
649 2HB1 GTT 83 2HB1 GTT 83 4.984 9.580 -7.237
650 HA1 GTT 83 HA1 GTT 83 3.946 7.518 -8.393
651 1HN1 GTT 83 1HN1 GTT 83 5.147 8.671 -10.781
652 2HN1 GTT 83 2HN1 GTT 83 5.765 7.287 -10.066
653 3HN1 GTT 83 3HN1 GTT 83 4.232 7.330 -10.646
654 HN3 GTT 83 HN3 GTT 83 11.513 7.439 -4.114
655 1HA3 GTT 83 1HA3 GTT 83 12.738 5.504 -3.528
656 2HA3 GTT 83 2HA3 GTT 83 11.302 4.493 -3.808
No H/Q in entry = 656
Start of MODEL 5
1 1H ALA 1 3H ALA 1 -8.917 -8.232 3.717
2 2H ALA 1 1H ALA 1 -8.576 -9.799 3.453
3 3H ALA 1 2H ALA 1 -9.795 -9.396 4.486
4 HA ALA 1 HA ALA 1 -8.278 -8.378 5.979
5 1HB ALA 1 3HB ALA 1 -8.857 -10.920 5.976
6 2HB ALA 1 1HB ALA 1 -7.161 -11.126 5.508
7 3HB ALA 1 2HB ALA 1 -7.556 -10.296 7.020
8 H ASN 2 H ASN 2 -5.696 -9.150 6.502
9 HA ASN 2 HA ASN 2 -3.710 -8.161 6.415
10 1HB ASN 2 1HB ASN 2 -3.715 -10.537 5.739
11 2HB ASN 2 2HB ASN 2 -3.673 -10.027 4.075
12 1HD2 ASN 2 2HD2 ASN 2 -0.234 -8.738 4.358
13 2HD2 ASN 2 1HD2 ASN 2 -1.788 -8.358 3.651
14 H VAL 3 H VAL 3 -4.632 -6.005 5.876
15 HA VAL 3 HA VAL 3 -4.009 -5.072 3.137
16 HB VAL 3 HB VAL 3 -5.417 -3.654 5.434
17 1HG1 VAL 3 3HG1 VAL 3 -4.262 -2.091 3.874
18 2HG1 VAL 3 1HG1 VAL 3 -5.096 -2.842 2.505
19 3HG1 VAL 3 2HG1 VAL 3 -6.020 -1.969 3.747
20 1HG2 VAL 3 1HG2 VAL 3 -6.474 -5.033 2.941
21 2HG2 VAL 3 2HG2 VAL 3 -6.862 -5.416 4.629
22 3HG2 VAL 3 3HG2 VAL 3 -7.429 -3.906 3.904
23 H GLU 4 H GLU 4 -1.750 -4.844 3.067
24 HA GLU 4 HA GLU 4 -0.533 -3.235 5.276
25 1HB GLU 4 1HB GLU 4 1.166 -5.099 3.628
26 2HB GLU 4 2HB GLU 4 1.507 -4.279 5.126
27 1HG GLU 4 1HG GLU 4 0.200 -5.776 6.416
28 2HG GLU 4 2HG GLU 4 -0.578 -6.471 4.986
29 H ILE 5 H ILE 5 0.811 -1.515 4.565
30 HA ILE 5 HA ILE 5 0.996 -1.060 1.645
31 HB ILE 5 HB ILE 5 -0.875 0.236 2.195
32 1HG1 ILE 5 1HG1 ILE 5 1.490 2.168 2.179
33 2HG1 ILE 5 2HG1 ILE 5 0.998 1.273 0.777
34 1HG2 ILE 5 2HG2 ILE 5 -0.581 0.356 4.690
35 2HG2 ILE 5 3HG2 ILE 5 0.604 1.658 4.431
36 3HG2 ILE 5 1HG2 ILE 5 -1.088 1.868 3.944
37 1HD1 ILE 5 2HD1 ILE 5 -1.275 2.395 0.940
38 2HD1 ILE 5 3HD1 ILE 5 -0.617 3.385 2.263
39 3HD1 ILE 5 1HD1 ILE 5 0.099 3.484 0.653
40 H TYR 6 H TYR 6 3.000 -0.909 1.102
41 HA TYR 6 HA TYR 6 5.176 -0.337 2.967
42 1HB TYR 6 1HB TYR 6 4.980 -0.797 -0.025
43 2HB TYR 6 2HB TYR 6 6.457 -0.241 0.740
44 HD1 TYR 6 HD2 TYR 6 3.906 -3.013 1.296
45 HD2 TYR 6 HD1 TYR 6 8.034 -1.805 1.242
46 HE1 TYR 6 HE2 TYR 6 4.583 -5.303 1.838
47 HE2 TYR 6 HE1 TYR 6 8.733 -4.094 1.814
48 HH TYR 6 HH TYR 6 7.889 -6.284 2.638
49 H THR 7 H THR 7 6.100 1.593 3.305
50 HA THR 7 HA THR 7 5.248 4.009 1.828
51 HB THR 7 HB THR 7 4.800 5.037 4.086
52 HG1 THR 7 HG1 THR 7 5.272 2.384 4.880
53 1HG2 THR 7 1HG2 THR 7 2.956 4.172 2.645
54 2HG2 THR 7 2HG2 THR 7 3.056 2.635 3.537
55 3HG2 THR 7 3HG2 THR 7 2.585 4.083 4.381
56 H LYS 8 H LYS 8 6.710 5.875 2.455
57 HA LYS 8 HA LYS 8 9.191 5.102 3.759
58 1HB LYS 8 1HB LYS 8 9.417 4.529 1.285
59 2HB LYS 8 2HB LYS 8 9.144 6.235 0.900
60 1HG LYS 8 1HG LYS 8 11.275 6.691 2.314
61 2HG LYS 8 2HG LYS 8 11.499 4.930 2.291
62 1HD LYS 8 1HD LYS 8 11.120 5.293 -0.343
63 2HD LYS 8 2HD LYS 8 11.638 6.929 0.020
64 1HE LYS 8 1HE LYS 8 13.169 4.346 0.601
65 2HE LYS 8 2HE LYS 8 13.503 5.463 -0.719
66 1HZ LYS 8 2HZ LYS 8 13.964 7.155 1.023
67 2HZ LYS 8 3HZ LYS 8 13.861 6.025 2.175
68 3HZ LYS 8 1HZ LYS 8 15.017 5.867 1.015
69 H GLU 9 H GLU 9 10.210 7.104 4.469
70 HA GLU 9 HA GLU 9 8.659 9.508 4.596
71 1HB GLU 9 1HB GLU 9 10.687 8.310 6.128
72 2HB GLU 9 2HB GLU 9 11.490 9.722 5.445
73 1HG GLU 9 1HG GLU 9 10.400 10.093 7.687
74 2HG GLU 9 2HG GLU 9 9.842 11.195 6.427
75 H THR 10 H THR 10 9.710 11.681 4.246
76 HA THR 10 HA THR 10 9.794 13.242 2.723
77 HB THR 10 HB THR 10 12.072 13.100 3.452
78 HG1 THR 10 HG1 THR 10 12.733 14.523 2.030
79 1HG2 THR 10 3HG2 THR 10 12.652 11.462 0.969
80 2HG2 THR 10 1HG2 THR 10 13.871 12.287 1.953
81 3HG2 THR 10 2HG2 THR 10 12.905 10.996 2.676
82 H CYS 11 H CYS 11 8.077 11.453 1.923
83 HA CYS 11 HA CYS 11 8.259 11.364 -1.035
84 1HB CYS 11 1HB CYS 11 9.346 9.328 -0.177
85 2HB CYS 11 2HB CYS 11 7.964 9.032 0.871
86 HA PRO 12 HA PRO 12 4.206 12.562 0.681
87 1HB PRO 12 1HB PRO 12 3.272 14.009 -1.432
88 2HB PRO 12 2HB PRO 12 4.284 14.673 -0.109
89 1HG PRO 12 1HG PRO 12 5.179 13.742 -2.837
90 2HG PRO 12 2HG PRO 12 5.694 15.202 -1.960
91 1HD PRO 12 1HD PRO 12 7.227 12.974 -1.978
92 2HD PRO 12 2HD PRO 12 7.073 13.913 -0.479
93 H TYR 13 H TYR 13 4.703 11.169 -2.696
94 HA TYR 13 HA TYR 13 2.021 10.329 -3.053
95 1HB TYR 13 1HB TYR 13 3.871 10.429 -4.760
96 2HB TYR 13 2HB TYR 13 4.698 9.128 -3.948
97 HD1 TYR 13 HD2 TYR 13 1.299 9.830 -5.477
98 HD2 TYR 13 HD1 TYR 13 4.632 7.136 -5.118
99 HE1 TYR 13 HE2 TYR 13 0.254 8.319 -7.116
100 HE2 TYR 13 HE1 TYR 13 3.596 5.597 -6.706
101 HH TYR 13 HH TYR 13 0.462 6.328 -8.298
102 H SER 14 H SER 14 4.636 8.934 -1.078
103 HA SER 14 HA SER 14 3.258 6.483 -0.425
104 1HB SER 14 1HB SER 14 5.483 6.387 0.099
105 2HB SER 14 2HB SER 14 5.566 8.038 0.723
106 HG SER 14 HG SER 14 5.339 7.253 2.622
107 H HIS 15 H HIS 15 3.426 9.740 1.137
108 HA HIS 15 HA HIS 15 1.738 8.869 3.334
109 1HB HIS 15 1HB HIS 15 2.920 11.494 2.481
110 2HB HIS 15 2HB HIS 15 1.540 11.512 3.566
111 HD1 HIS 15 HD1 HIS 15 1.928 10.908 6.076
112 HD2 HIS 15 HD2 HIS 15 5.161 9.929 3.493
113 HE1 HIS 15 HE1 HIS 15 3.909 10.288 7.552
114 HE2 HIS 15 HE2 HIS 15 5.897 9.819 6.009
115 H ARG 16 H ARG 16 1.074 10.662 0.359
116 HA ARG 16 HA ARG 16 -1.655 11.227 0.723
117 1HB ARG 16 1HB ARG 16 0.242 10.829 -1.598
118 2HB ARG 16 2HB ARG 16 -1.457 10.878 -1.965
119 1HG ARG 16 1HG ARG 16 -1.596 13.022 -0.590
120 2HG ARG 16 2HG ARG 16 0.176 13.007 -0.525
121 1HD ARG 16 1HD ARG 16 0.275 13.116 -2.990
122 2HD ARG 16 2HD ARG 16 -1.490 13.045 -3.088
123 HE ARG 16 HE ARG 16 0.123 15.355 -2.613
124 1HH1 ARG 16 2HH2 ARG 16 -3.133 13.992 -1.978
125 2HH1 ARG 16 1HH2 ARG 16 -3.810 15.516 -1.556
126 1HH2 ARG 16 2HH1 ARG 16 -0.732 17.303 -1.720
127 2HH2 ARG 16 1HH1 ARG 16 -2.437 17.457 -1.476
128 H ALA 17 H ALA 17 -0.148 8.075 -0.258
129 HA ALA 17 HA ALA 17 -2.734 7.005 -0.856
130 1HB ALA 17 2HB ALA 17 -0.155 5.618 -0.025
131 2HB ALA 17 3HB ALA 17 -1.579 4.802 -0.718
132 3HB ALA 17 1HB ALA 17 -0.674 5.990 -1.682
133 H LYS 18 H LYS 18 -1.152 7.509 2.191
134 HA LYS 18 HA LYS 18 -3.100 5.796 3.616
135 1HB LYS 18 1HB LYS 18 -1.197 7.769 4.908
136 2HB LYS 18 2HB LYS 18 -2.192 6.540 5.683
137 1HG LYS 18 1HG LYS 18 -0.293 5.281 5.562
138 2HG LYS 18 2HG LYS 18 -0.919 4.915 3.972
139 1HD LYS 18 1HD LYS 18 1.095 5.603 3.217
140 2HD LYS 18 2HD LYS 18 0.437 7.194 3.398
141 1HE LYS 18 1HE LYS 18 2.343 5.760 5.286
142 2HE LYS 18 2HE LYS 18 2.637 7.228 4.369
143 1HZ LYS 18 1HZ LYS 18 0.948 8.295 5.874
144 2HZ LYS 18 2HZ LYS 18 0.910 6.868 6.733
145 3HZ LYS 18 3HZ LYS 18 2.297 7.699 6.645
146 H ALA 19 H ALA 19 -2.701 9.232 2.696
147 HA ALA 19 HA ALA 19 -4.806 10.221 4.309
148 1HB ALA 19 3HB ALA 19 -3.255 11.639 2.898
149 2HB ALA 19 1HB ALA 19 -4.187 11.141 1.464
150 3HB ALA 19 2HB ALA 19 -4.970 12.058 2.754
151 H LEU 20 H LEU 20 -4.937 8.379 1.280
152 HA LEU 20 HA LEU 20 -7.810 8.558 0.979
153 1HB LEU 20 1HB LEU 20 -6.302 7.799 -0.819
154 2HB LEU 20 2HB LEU 20 -5.889 6.347 0.086
155 HG LEU 20 HG LEU 20 -8.692 7.024 -0.931
156 1HD1 LEU 20 3HD1 LEU 20 -7.043 6.636 -2.755
157 2HD1 LEU 20 1HD1 LEU 20 -6.625 5.063 -2.023
158 3HD1 LEU 20 2HD1 LEU 20 -8.263 5.353 -2.650
159 1HD2 LEU 20 3HD2 LEU 20 -7.578 4.377 0.133
160 2HD2 LEU 20 1HD2 LEU 20 -8.921 5.321 0.832
161 3HD2 LEU 20 2HD2 LEU 20 -9.106 4.554 -0.728
162 H LEU 21 H LEU 21 -5.788 5.873 2.293
163 HA LEU 21 HA LEU 21 -8.055 4.395 3.136
164 1HB LEU 21 1HB LEU 21 -5.138 4.388 4.037
165 2HB LEU 21 2HB LEU 21 -6.307 3.233 4.647
166 HG LEU 21 HG LEU 21 -6.184 3.447 1.663
167 1HD1 LEU 21 2HD1 LEU 21 -3.933 2.159 3.231
168 2HD1 LEU 21 3HD1 LEU 21 -4.220 2.009 1.478
169 3HD1 LEU 21 1HD1 LEU 21 -3.819 3.578 2.164
170 1HD2 LEU 21 1HD2 LEU 21 -6.322 1.127 3.641
171 2HD2 LEU 21 2HD2 LEU 21 -7.671 1.826 2.711
172 3HD2 LEU 21 3HD2 LEU 21 -6.367 0.964 1.882
173 H SER 22 H SER 22 -6.277 6.919 4.854
174 HA SER 22 HA SER 22 -7.628 6.560 7.375
175 1HB SER 22 1HB SER 22 -5.328 7.641 6.797
176 2HB SER 22 2HB SER 22 -6.247 9.093 6.379
177 HG SER 22 HG SER 22 -5.328 8.376 8.653
178 H SER 23 H SER 23 -8.146 8.697 4.431
179 HA SER 23 HA SER 23 -10.458 10.016 5.390
180 1HB SER 23 1HB SER 23 -9.183 10.509 3.284
181 2HB SER 23 2HB SER 23 -9.933 9.095 2.533
182 HG SER 23 HG SER 23 -11.809 10.097 2.477
183 H LYS 24 H LYS 24 -9.946 6.718 4.345
184 HA LYS 24 HA LYS 24 -12.835 6.093 4.444
185 1HB LYS 24 1HB LYS 24 -10.465 4.551 3.328
186 2HB LYS 24 2HB LYS 24 -12.163 4.015 3.313
187 1HG LYS 24 1HG LYS 24 -12.678 6.285 2.222
188 2HG LYS 24 2HG LYS 24 -10.956 6.447 1.922
189 1HD LYS 24 1HD LYS 24 -10.993 4.409 0.528
190 2HD LYS 24 2HD LYS 24 -12.688 4.153 0.940
191 1HE LYS 24 1HE LYS 24 -12.711 6.803 0.118
192 2HE LYS 24 2HE LYS 24 -11.446 6.118 -0.924
193 1HZ LYS 24 2HZ LYS 24 -14.109 4.868 -0.645
194 2HZ LYS 24 3HZ LYS 24 -13.735 5.964 -1.839
195 3HZ LYS 24 1HZ LYS 24 -12.892 4.569 -1.739
196 H GLY 25 H GLY 25 -10.529 6.275 6.738
197 1HA GLY 25 1HA GLY 25 -10.474 5.536 8.862
198 2HA GLY 25 2HA GLY 25 -12.135 4.975 8.631
199 H VAL 26 H VAL 26 -9.338 3.717 6.797
200 HA VAL 26 HA VAL 26 -10.320 1.043 7.457
201 HB VAL 26 HB VAL 26 -8.057 1.925 5.635
202 1HG1 VAL 26 1HG1 VAL 26 -9.606 -0.661 5.697
203 2HG1 VAL 26 2HG1 VAL 26 -8.491 -0.194 4.401
204 3HG1 VAL 26 3HG1 VAL 26 -7.862 -0.459 6.019
205 1HG2 VAL 26 3HG2 VAL 26 -11.013 1.418 5.031
206 2HG2 VAL 26 1HG2 VAL 26 -10.148 2.949 4.867
207 3HG2 VAL 26 2HG2 VAL 26 -9.771 1.625 3.777
208 H SER 27 H SER 27 -8.965 -0.651 8.104
209 HA SER 27 HA SER 27 -6.719 -0.001 9.965
210 1HB SER 27 1HB SER 27 -8.800 -2.158 9.924
211 2HB SER 27 2HB SER 27 -7.145 -2.678 10.289
212 HG SER 27 HG SER 27 -7.012 -1.331 11.952
213 H PHE 28 H PHE 28 -4.972 0.167 8.685
214 HA PHE 28 HA PHE 28 -4.299 -2.064 6.856
215 1HB PHE 28 1HB PHE 28 -3.131 -0.365 5.439
216 2HB PHE 28 2HB PHE 28 -4.877 -0.168 5.431
217 HD1 PHE 28 HD1 PHE 28 -5.957 1.742 6.584
218 HD2 PHE 28 HD2 PHE 28 -1.668 1.381 6.486
219 HE1 PHE 28 HE1 PHE 28 -5.750 4.100 7.292
220 HE2 PHE 28 HE2 PHE 28 -1.463 3.756 7.180
221 HZ PHE 28 HZ PHE 28 -3.497 5.122 7.575
222 H GLN 29 H GLN 29 -2.048 -2.577 7.013
223 HA GLN 29 HA GLN 29 -0.718 -1.578 9.401
224 1HB GLN 29 1HB GLN 29 -0.876 -4.096 9.025
225 2HB GLN 29 2HB GLN 29 0.159 -3.894 7.629
226 1HG GLN 29 1HG GLN 29 1.371 -4.538 9.754
227 2HG GLN 29 2HG GLN 29 1.983 -3.093 8.964
228 1HE2 GLN 29 2HE2 GLN 29 1.303 -0.924 11.689
229 2HE2 GLN 29 1HE2 GLN 29 1.995 -1.114 10.087
230 H GLU 30 H GLU 30 -0.074 0.277 8.781
231 HA GLU 30 HA GLU 30 1.358 0.952 6.364
232 1HB GLU 30 1HB GLU 30 0.559 2.379 8.664
233 2HB GLU 30 2HB GLU 30 2.335 2.327 8.774
234 1HG GLU 30 1HG GLU 30 2.464 3.158 6.436
235 2HG GLU 30 2HG GLU 30 0.708 3.285 6.383
236 H LEU 31 H LEU 31 3.479 0.665 5.822
237 HA LEU 31 HA LEU 31 5.319 -0.816 7.652
238 1HB LEU 31 1HB LEU 31 4.785 -1.411 4.751
239 2HB LEU 31 2HB LEU 31 6.072 -2.108 5.728
240 HG LEU 31 HG LEU 31 3.081 -2.461 6.187
241 1HD1 LEU 31 3HD1 LEU 31 5.274 -4.225 5.081
242 2HD1 LEU 31 1HD1 LEU 31 3.634 -4.778 5.470
243 3HD1 LEU 31 2HD1 LEU 31 3.867 -3.542 4.207
244 1HD2 LEU 31 1HD2 LEU 31 5.409 -3.862 7.571
245 2HD2 LEU 31 2HD2 LEU 31 4.279 -2.716 8.337
246 3HD2 LEU 31 3HD2 LEU 31 3.685 -4.258 7.739
247 HA PRO 32 HA PRO 32 7.637 2.829 5.902
248 1HB PRO 32 1HB PRO 32 9.212 3.164 8.130
249 2HB PRO 32 2HB PRO 32 7.583 3.863 7.946
250 1HG PRO 32 1HG PRO 32 8.475 1.591 9.645
251 2HG PRO 32 2HG PRO 32 7.050 2.642 9.845
252 1HD PRO 32 1HD PRO 32 7.210 0.002 8.723
253 2HD PRO 32 2HD PRO 32 5.733 0.971 8.764
254 H ILE 33 H ILE 33 8.792 1.795 4.359
255 HA ILE 33 HA ILE 33 11.077 0.019 5.080
256 HB ILE 33 HB ILE 33 11.482 0.134 2.632
257 1HG1 ILE 33 1HG1 ILE 33 8.601 0.952 2.240
258 2HG1 ILE 33 2HG1 ILE 33 9.931 2.123 2.206
259 1HG2 ILE 33 2HG2 ILE 33 10.383 -1.710 3.979
260 2HG2 ILE 33 3HG2 ILE 33 8.826 -1.099 3.437
261 3HG2 ILE 33 1HG2 ILE 33 10.022 -1.719 2.252
262 1HD1 ILE 33 2HD1 ILE 33 11.083 0.696 0.512
263 2HD1 ILE 33 3HD1 ILE 33 9.594 -0.269 0.374
264 3HD1 ILE 33 1HD1 ILE 33 9.610 1.464 -0.039
265 H ASP 34 H ASP 34 10.622 3.299 5.462
266 HA ASP 34 HA ASP 34 13.097 4.066 4.129
267 1HB ASP 34 1HB ASP 34 11.177 5.675 4.616
268 2HB ASP 34 2HB ASP 34 11.704 5.675 6.303
269 H GLY 35 H GLY 35 14.945 5.046 5.459
270 1HA GLY 35 1HA GLY 35 16.681 4.701 6.940
271 2HA GLY 35 2HA GLY 35 15.492 4.138 8.124
272 H ASN 36 H ASN 36 15.505 2.495 5.085
273 HA ASN 36 HA ASN 36 17.088 0.165 5.899
274 1HB ASN 36 1HB ASN 36 15.205 -0.562 7.047
275 2HB ASN 36 2HB ASN 36 14.135 0.524 6.189
276 1HD2 ASN 36 2HD2 ASN 36 13.026 -1.741 3.781
277 2HD2 ASN 36 1HD2 ASN 36 13.495 -0.046 3.946
278 H ALA 37 H ALA 37 17.330 -1.293 4.184
279 HA ALA 37 HA ALA 37 16.036 -0.631 1.604
280 1HB ALA 37 2HB ALA 37 18.939 -1.472 2.000
281 2HB ALA 37 3HB ALA 37 18.097 -1.326 0.450
282 3HB ALA 37 1HB ALA 37 18.376 0.125 1.445
283 H ALA 38 H ALA 38 17.225 -2.990 3.866
284 HA ALA 38 HA ALA 38 17.023 -5.400 2.609
285 1HB ALA 38 2HB ALA 38 16.101 -4.654 5.431
286 2HB ALA 38 3HB ALA 38 16.324 -6.311 4.851
287 3HB ALA 38 1HB ALA 38 17.708 -5.207 4.938
288 H LYS 39 H LYS 39 14.260 -3.954 4.410
289 HA LYS 39 HA LYS 39 12.430 -5.852 3.263
290 1HB LYS 39 1HB LYS 39 12.219 -4.670 5.489
291 2HB LYS 39 2HB LYS 39 11.690 -3.240 4.615
292 1HG LYS 39 1HG LYS 39 9.882 -4.738 3.551
293 2HG LYS 39 2HG LYS 39 10.394 -6.008 4.653
294 1HD LYS 39 1HD LYS 39 9.275 -3.287 5.446
295 2HD LYS 39 2HD LYS 39 8.368 -4.796 5.362
296 1HE LYS 39 1HE LYS 39 10.131 -5.735 7.033
297 2HE LYS 39 2HE LYS 39 10.576 -4.040 7.315
298 1HZ LYS 39 1HZ LYS 39 7.891 -5.219 7.652
299 2HZ LYS 39 2HZ LYS 39 8.907 -4.858 8.876
300 3HZ LYS 39 3HZ LYS 39 8.283 -3.634 7.978
301 H ARG 40 H ARG 40 13.512 -2.649 2.097
302 HA ARG 40 HA ARG 40 11.451 -2.473 0.081
303 1HB ARG 40 1HB ARG 40 13.109 -0.614 0.718
304 2HB ARG 40 2HB ARG 40 14.280 -1.407 -0.335
305 1HG ARG 40 1HG ARG 40 11.485 -0.775 -1.359
306 2HG ARG 40 2HG ARG 40 12.657 0.516 -1.196
307 1HD ARG 40 1HD ARG 40 13.256 -1.912 -2.897
308 2HD ARG 40 2HD ARG 40 12.353 -0.515 -3.479
309 HE ARG 40 HE ARG 40 15.092 -0.269 -2.301
310 1HH1 ARG 40 2HH2 ARG 40 12.840 0.650 -5.018
311 2HH1 ARG 40 1HH2 ARG 40 14.072 1.720 -5.639
312 1HH2 ARG 40 2HH1 ARG 40 16.444 1.260 -3.169
313 2HH2 ARG 40 1HH1 ARG 40 16.001 2.177 -4.566
314 H GLU 41 H GLU 41 14.660 -4.155 0.138
315 HA GLU 41 HA GLU 41 14.476 -5.091 -2.546
316 1HB GLU 41 1HB GLU 41 16.056 -5.927 -0.128
317 2HB GLU 41 2HB GLU 41 16.099 -6.887 -1.607
318 1HG GLU 41 1HG GLU 41 16.412 -3.938 -2.028
319 2HG GLU 41 2HG GLU 41 17.700 -4.710 -1.100
320 H GLU 42 H GLU 42 12.963 -6.291 0.459
321 HA GLU 42 HA GLU 42 11.974 -8.691 -0.850
322 1HB GLU 42 1HB GLU 42 12.196 -8.512 1.586
323 2HB GLU 42 2HB GLU 42 10.935 -7.268 1.630
324 1HG GLU 42 1HG GLU 42 9.262 -8.836 0.820
325 2HG GLU 42 2HG GLU 42 10.499 -10.051 0.468
326 H MET 43 H MET 43 10.745 -5.378 -0.381
327 HA MET 43 HA MET 43 8.167 -5.645 -1.416
328 1HB MET 43 1HB MET 43 9.290 -3.530 -0.444
329 2HB MET 43 2HB MET 43 9.904 -3.262 -2.072
330 1HG MET 43 1HG MET 43 7.489 -3.420 -2.899
331 2HG MET 43 2HG MET 43 7.012 -3.363 -1.208
332 1HE MET 43 2HE MET 43 9.762 -1.518 -3.470
333 2HE MET 43 3HE MET 43 8.229 -1.466 -4.368
334 3HE MET 43 1HE MET 43 8.935 0.028 -3.719
335 H ILE 44 H ILE 44 11.270 -5.608 -3.134
336 HA ILE 44 HA ILE 44 10.394 -5.064 -5.745
337 HB ILE 44 HB ILE 44 12.670 -6.849 -4.832
338 1HG1 ILE 44 1HG1 ILE 44 13.009 -4.656 -3.949
339 2HG1 ILE 44 2HG1 ILE 44 14.114 -4.877 -5.279
340 1HG2 ILE 44 2HG2 ILE 44 12.138 -5.651 -7.553
341 2HG2 ILE 44 3HG2 ILE 44 13.701 -6.358 -7.021
342 3HG2 ILE 44 1HG2 ILE 44 12.265 -7.365 -7.118
343 1HD1 ILE 44 2HD1 ILE 44 12.486 -3.505 -6.702
344 2HD1 ILE 44 3HD1 ILE 44 11.583 -3.180 -5.205
345 3HD1 ILE 44 1HD1 ILE 44 13.259 -2.634 -5.366
346 H LYS 45 H LYS 45 11.030 -8.497 -4.581
347 HA LYS 45 HA LYS 45 9.470 -9.434 -6.816
348 1HB LYS 45 1HB LYS 45 10.532 -10.829 -4.361
349 2HB LYS 45 2HB LYS 45 9.549 -11.679 -5.563
350 1HG LYS 45 1HG LYS 45 11.125 -11.282 -7.318
351 2HG LYS 45 2HG LYS 45 12.001 -10.084 -6.362
352 1HD LYS 45 1HD LYS 45 12.627 -11.913 -4.746
353 2HD LYS 45 2HD LYS 45 11.921 -13.092 -5.862
354 1HE LYS 45 1HE LYS 45 13.499 -12.607 -7.568
355 2HE LYS 45 2HE LYS 45 13.890 -11.027 -6.884
356 1HZ LYS 45 3HZ LYS 45 14.936 -12.175 -5.025
357 2HZ LYS 45 1HZ LYS 45 14.694 -13.630 -5.777
358 3HZ LYS 45 2HZ LYS 45 15.665 -12.469 -6.462
359 H ARG 46 H ARG 46 8.527 -8.620 -3.500
360 HA ARG 46 HA ARG 46 5.937 -9.760 -3.439
361 1HB ARG 46 1HB ARG 46 7.155 -7.199 -2.382
362 2HB ARG 46 2HB ARG 46 5.455 -7.470 -2.182
363 1HG ARG 46 1HG ARG 46 7.492 -9.443 -1.123
364 2HG ARG 46 2HG ARG 46 6.949 -8.017 -0.228
365 1HD ARG 46 1HD ARG 46 4.560 -8.787 -0.596
366 2HD ARG 46 2HD ARG 46 5.218 -10.322 -1.183
367 HE ARG 46 HE ARG 46 6.467 -10.060 1.212
368 1HH1 ARG 46 2HH2 ARG 46 3.041 -10.109 0.287
369 2HH1 ARG 46 1HH2 ARG 46 2.478 -10.237 1.949
370 1HH2 ARG 46 2HH1 ARG 46 5.684 -10.270 3.374
371 2HH2 ARG 46 1HH1 ARG 46 3.996 -10.250 3.705
372 H SER 47 H SER 47 6.983 -6.613 -4.825
373 HA SER 47 HA SER 47 4.243 -6.206 -5.839
374 1HB SER 47 1HB SER 47 4.920 -3.892 -6.183
375 2HB SER 47 2HB SER 47 5.267 -4.403 -4.529
376 HG SER 47 HG SER 47 7.463 -4.632 -5.131
377 H GLY 48 H GLY 48 7.287 -7.245 -7.109
378 1HA GLY 48 1HA GLY 48 8.088 -7.556 -9.194
379 2HA GLY 48 2HA GLY 48 6.436 -7.455 -9.833
380 H ARG 49 H ARG 49 7.970 -4.843 -7.901
381 HA ARG 49 HA ARG 49 8.372 -3.065 -10.178
382 1HB ARG 49 1HB ARG 49 5.941 -3.018 -8.409
383 2HB ARG 49 2HB ARG 49 6.751 -1.466 -8.575
384 1HG ARG 49 1HG ARG 49 6.507 -1.392 -10.901
385 2HG ARG 49 2HG ARG 49 6.121 -3.100 -11.049
386 1HD ARG 49 1HD ARG 49 4.265 -1.323 -9.471
387 2HD ARG 49 2HD ARG 49 4.295 -1.213 -11.240
388 HE ARG 49 HE ARG 49 4.108 -3.949 -10.557
389 1HH1 ARG 49 2HH2 ARG 49 2.205 -0.997 -10.940
390 2HH1 ARG 49 1HH2 ARG 49 0.703 -1.825 -11.219
391 1HH2 ARG 49 2HH1 ARG 49 2.080 -5.073 -10.671
392 2HH2 ARG 49 1HH1 ARG 49 0.633 -4.224 -11.028
393 H THR 50 H THR 50 9.180 -0.859 -9.195
394 HA THR 50 HA THR 50 11.081 -1.666 -7.064
395 HB THR 50 HB THR 50 12.519 0.047 -8.131
396 HG1 THR 50 HG1 THR 50 11.299 0.275 -10.448
397 1HG2 THR 50 1HG2 THR 50 12.577 -2.340 -8.841
398 2HG2 THR 50 2HG2 THR 50 11.420 -1.981 -10.136
399 3HG2 THR 50 3HG2 THR 50 13.025 -1.225 -10.139
400 H THR 51 H THR 51 8.549 0.741 -7.559
401 HA THR 51 HA THR 51 9.711 2.395 -5.398
402 HB THR 51 HB THR 51 8.286 4.176 -6.550
403 HG1 THR 51 HG1 THR 51 6.916 2.970 -7.774
404 1HG2 THR 51 3HG2 THR 51 10.498 2.841 -8.165
405 2HG2 THR 51 1HG2 THR 51 9.903 4.491 -8.406
406 3HG2 THR 51 2HG2 THR 51 10.723 4.056 -6.899
407 H VAL 52 H VAL 52 8.302 3.503 -3.976
408 HA VAL 52 HA VAL 52 5.970 1.914 -3.111
409 HB VAL 52 HB VAL 52 6.050 3.924 -1.299
410 1HG1 VAL 52 1HG1 VAL 52 7.939 1.567 -1.412
411 2HG1 VAL 52 2HG1 VAL 52 7.471 2.458 0.067
412 3HG1 VAL 52 3HG1 VAL 52 6.268 1.538 -0.848
413 1HG2 VAL 52 2HG2 VAL 52 7.906 5.150 -2.448
414 2HG2 VAL 52 3HG2 VAL 52 8.173 4.742 -0.756
415 3HG2 VAL 52 1HG2 VAL 52 8.986 3.795 -2.013
416 HA PRO 53 HA PRO 53 4.367 2.681 -1.416
417 1HB PRO 53 1HB PRO 53 1.713 2.829 -1.106
418 2HB PRO 53 2HB PRO 53 2.769 4.219 -0.704
419 1HG PRO 53 1HG PRO 53 1.136 3.755 -3.206
420 2HG PRO 53 2HG PRO 53 1.325 5.265 -2.247
421 1HD PRO 53 1HD PRO 53 2.747 4.677 -4.553
422 2HD PRO 53 2HD PRO 53 3.310 5.790 -3.270
423 H GLN 54 H GLN 54 3.408 0.546 -1.148
424 HA GLN 54 HA GLN 54 2.238 -0.653 -3.577
425 1HB GLN 54 1HB GLN 54 4.689 -1.745 -2.094
426 2HB GLN 54 2HB GLN 54 3.727 -2.674 -3.240
427 1HG GLN 54 1HG GLN 54 5.296 -0.140 -3.859
428 2HG GLN 54 2HG GLN 54 5.748 -1.779 -4.321
429 1HE2 GLN 54 2HE2 GLN 54 3.892 -0.057 -7.196
430 2HE2 GLN 54 1HE2 GLN 54 5.315 0.413 -6.238
431 H ILE 55 H ILE 55 0.407 -1.817 -3.007
432 HA ILE 55 HA ILE 55 0.062 -2.206 -0.116
433 HB ILE 55 HB ILE 55 -2.044 -1.531 -2.213
434 1HG1 ILE 55 1HG1 ILE 55 -2.233 0.517 -0.529
435 2HG1 ILE 55 2HG1 ILE 55 -0.579 0.122 -0.155
436 1HG2 ILE 55 3HG2 ILE 55 -2.207 -1.922 0.819
437 2HG2 ILE 55 1HG2 ILE 55 -3.518 -1.273 -0.164
438 3HG2 ILE 55 2HG2 ILE 55 -2.983 -2.923 -0.424
439 1HD1 ILE 55 3HD1 ILE 55 -1.536 0.718 -2.980
440 2HD1 ILE 55 1HD1 ILE 55 -0.970 1.970 -1.861
441 3HD1 ILE 55 2HD1 ILE 55 0.140 0.711 -2.399
442 H PHE 56 H PHE 56 -0.979 -4.070 0.478
443 HA PHE 56 HA PHE 56 -1.230 -6.275 -1.456
444 1HB PHE 56 1HB PHE 56 0.199 -6.312 1.251
445 2HB PHE 56 2HB PHE 56 -0.109 -7.718 0.231
446 HD1 PHE 56 HD1 PHE 56 1.841 -4.547 0.517
447 HD2 PHE 56 HD2 PHE 56 1.206 -8.152 -1.771
448 HE1 PHE 56 HE1 PHE 56 3.749 -3.956 -0.951
449 HE2 PHE 56 HE2 PHE 56 3.141 -7.594 -3.177
450 HZ PHE 56 HZ PHE 56 4.361 -5.444 -2.859
451 H ILE 57 H ILE 57 -3.179 -7.354 -1.030
452 HA ILE 57 HA ILE 57 -4.598 -6.818 1.523
453 HB ILE 57 HB ILE 57 -5.820 -6.595 -1.251
454 1HG1 ILE 57 1HG1 ILE 57 -5.297 -4.586 0.993
455 2HG1 ILE 57 2HG1 ILE 57 -4.568 -4.600 -0.607
456 1HG2 ILE 57 1HG2 ILE 57 -7.092 -6.573 1.534
457 2HG2 ILE 57 2HG2 ILE 57 -7.934 -6.137 0.037
458 3HG2 ILE 57 3HG2 ILE 57 -7.342 -7.775 0.275
459 1HD1 ILE 57 3HD1 ILE 57 -6.855 -4.193 -1.595
460 2HD1 ILE 57 1HD1 ILE 57 -7.433 -3.930 0.070
461 3HD1 ILE 57 2HD1 ILE 57 -6.169 -2.887 -0.603
462 H ASP 58 H ASP 58 -5.201 -8.708 2.384
463 HA ASP 58 HA ASP 58 -5.020 -10.939 2.780
464 1HB ASP 58 1HB ASP 58 -6.515 -10.862 0.173
465 2HB ASP 58 2HB ASP 58 -6.165 -12.406 0.977
466 H ALA 59 H ALA 59 -2.882 -9.718 1.886
467 HA ALA 59 HA ALA 59 -0.761 -9.755 1.191
468 1HB ALA 59 2HB ALA 59 -0.661 -11.875 2.398
469 2HB ALA 59 3HB ALA 59 -1.111 -12.738 0.910
470 3HB ALA 59 1HB ALA 59 0.436 -11.868 0.998
471 H GLN 60 H GLN 60 -3.196 -10.375 -1.049
472 HA GLN 60 HA GLN 60 -1.529 -10.930 -3.384
473 1HB GLN 60 1HB GLN 60 -4.391 -9.923 -3.087
474 2HB GLN 60 2HB GLN 60 -3.640 -10.368 -4.615
475 1HG GLN 60 1HG GLN 60 -3.742 -12.627 -4.199
476 2HG GLN 60 2HG GLN 60 -3.524 -12.467 -2.468
477 1HE2 GLN 60 2HE2 GLN 60 -6.944 -12.459 -1.658
478 2HE2 GLN 60 1HE2 GLN 60 -5.289 -12.398 -1.116
479 H HIS 61 H HIS 61 -0.503 -9.427 -4.573
480 HA HIS 61 HA HIS 61 -0.176 -6.748 -3.542
481 1HB HIS 61 1HB HIS 61 1.617 -8.006 -4.738
482 2HB HIS 61 2HB HIS 61 0.613 -8.061 -6.187
483 HD1 HIS 61 HD1 HIS 61 1.558 -6.484 -7.952
484 HD2 HIS 61 HD2 HIS 61 1.610 -5.001 -3.961
485 HE1 HIS 61 HE1 HIS 61 2.675 -4.183 -8.020
486 HE2 HIS 61 HE2 HIS 61 2.551 -3.217 -5.677
487 H ILE 62 H ILE 62 -1.007 -4.824 -4.296
488 HA ILE 62 HA ILE 62 -3.170 -4.915 -6.295
489 HB ILE 62 HB ILE 62 -2.072 -2.503 -4.794
490 1HG1 ILE 62 1HG1 ILE 62 -2.766 -3.880 -3.050
491 2HG1 ILE 62 2HG1 ILE 62 -4.052 -2.730 -3.303
492 1HG2 ILE 62 2HG2 ILE 62 -4.717 -2.963 -6.239
493 2HG2 ILE 62 3HG2 ILE 62 -4.266 -1.517 -5.313
494 3HG2 ILE 62 1HG2 ILE 62 -3.390 -1.932 -6.787
495 1HD1 ILE 62 2HD1 ILE 62 -5.396 -4.432 -4.534
496 2HD1 ILE 62 3HD1 ILE 62 -4.126 -5.639 -4.228
497 3HD1 ILE 62 1HD1 ILE 62 -5.011 -4.930 -2.884
498 H GLY 63 H GLY 63 -0.601 -2.460 -6.031
499 1HA GLY 63 1HA GLY 63 0.765 -2.964 -8.464
500 2HA GLY 63 2HA GLY 63 -0.683 -2.048 -8.857
501 H GLY 64 H GLY 64 -0.912 -0.235 -6.724
502 1HA GLY 64 1HA GLY 64 1.373 1.197 -5.949
503 2HA GLY 64 2HA GLY 64 0.812 1.775 -7.521
504 H TYR 65 H TYR 65 0.365 3.786 -6.136
505 HA TYR 65 HA TYR 65 -1.842 3.670 -4.225
506 1HB TYR 65 1HB TYR 65 -0.233 5.488 -3.941
507 2HB TYR 65 2HB TYR 65 -0.455 6.000 -5.607
508 HD1 TYR 65 HD2 TYR 65 -2.863 5.120 -2.814
509 HD2 TYR 65 HD1 TYR 65 -1.655 8.037 -5.773
510 HE1 TYR 65 HE2 TYR 65 -4.700 6.576 -2.124
511 HE2 TYR 65 HE1 TYR 65 -3.464 9.519 -5.032
512 HH TYR 65 HH TYR 65 -5.234 9.825 -3.557
513 H ASP 66 H ASP 66 -1.465 4.940 -7.593
514 HA ASP 66 HA ASP 66 -4.146 5.939 -7.713
515 1HB ASP 66 1HB ASP 66 -2.311 5.087 -10.001
516 2HB ASP 66 2HB ASP 66 -3.729 6.110 -10.105
517 H ASP 67 H ASP 67 -2.589 2.960 -8.361
518 HA ASP 67 HA ASP 67 -4.704 1.419 -9.591
519 1HB ASP 67 1HB ASP 67 -2.332 0.583 -7.880
520 2HB ASP 67 2HB ASP 67 -3.399 -0.524 -8.730
521 H LEU 68 H LEU 68 -3.588 1.707 -6.129
522 HA LEU 68 HA LEU 68 -5.670 0.106 -5.032
523 1HB LEU 68 1HB LEU 68 -3.629 0.862 -3.759
524 2HB LEU 68 2HB LEU 68 -4.280 2.500 -3.752
525 HG LEU 68 HG LEU 68 -6.421 1.406 -2.642
526 1HD1 LEU 68 2HD1 LEU 68 -4.301 -0.713 -2.197
527 2HD1 LEU 68 3HD1 LEU 68 -5.785 -0.583 -1.238
528 3HD1 LEU 68 1HD1 LEU 68 -5.885 -0.918 -2.970
529 1HD2 LEU 68 3HD2 LEU 68 -3.870 1.789 -1.102
530 2HD2 LEU 68 1HD2 LEU 68 -5.094 3.009 -1.505
531 3HD2 LEU 68 2HD2 LEU 68 -5.521 1.679 -0.432
532 H TYR 69 H TYR 69 -5.468 3.591 -5.568
533 HA TYR 69 HA TYR 69 -7.916 4.416 -4.542
534 1HB TYR 69 1HB TYR 69 -6.018 5.835 -5.335
535 2HB TYR 69 2HB TYR 69 -6.451 5.482 -6.978
536 HD1 TYR 69 HD2 TYR 69 -9.466 5.976 -4.918
537 HD2 TYR 69 HD1 TYR 69 -6.298 8.023 -7.050
538 HE1 TYR 69 HE2 TYR 69 -10.835 7.980 -5.007
539 HE2 TYR 69 HE1 TYR 69 -7.686 10.066 -7.118
540 HH TYR 69 HH TYR 69 -9.771 10.943 -6.734
541 H ALA 70 H ALA 70 -7.177 3.220 -7.814
542 HA ALA 70 HA ALA 70 -9.902 3.528 -8.805
543 1HB ALA 70 2HB ALA 70 -7.910 3.247 -10.312
544 2HB ALA 70 3HB ALA 70 -7.728 1.582 -9.742
545 3HB ALA 70 1HB ALA 70 -9.182 2.054 -10.638
546 H LEU 71 H LEU 71 -8.057 0.833 -7.414
547 HA LEU 71 HA LEU 71 -10.025 -1.215 -7.549
548 1HB LEU 71 1HB LEU 71 -7.469 -1.258 -6.949
549 2HB LEU 71 2HB LEU 71 -7.992 -0.965 -5.303
550 HG LEU 71 HG LEU 71 -7.545 -3.265 -5.654
551 1HD1 LEU 71 3HD1 LEU 71 -9.342 -2.805 -4.127
552 2HD1 LEU 71 1HD1 LEU 71 -10.495 -3.143 -5.455
553 3HD1 LEU 71 2HD1 LEU 71 -9.414 -4.415 -4.867
554 1HD2 LEU 71 1HD2 LEU 71 -7.969 -3.314 -8.124
555 2HD2 LEU 71 2HD2 LEU 71 -8.593 -4.702 -7.231
556 3HD2 LEU 71 3HD2 LEU 71 -9.712 -3.438 -7.760
557 H ASP 72 H ASP 72 -9.335 1.211 -5.054
558 HA ASP 72 HA ASP 72 -11.342 0.507 -3.152
559 1HB ASP 72 1HB ASP 72 -9.494 1.854 -2.473
560 2HB ASP 72 2HB ASP 72 -9.702 2.974 -3.798
561 H ALA 73 H ALA 73 -11.243 3.053 -5.665
562 HA ALA 73 HA ALA 73 -13.794 3.955 -5.127
563 1HB ALA 73 1HB ALA 73 -12.096 5.280 -6.314
564 2HB ALA 73 2HB ALA 73 -12.230 4.199 -7.721
565 3HB ALA 73 3HB ALA 73 -13.606 5.231 -7.247
566 H ARG 74 H ARG 74 -12.965 1.331 -7.269
567 HA ARG 74 HA ARG 74 -15.660 1.029 -8.304
568 1HB ARG 74 1HB ARG 74 -14.866 -0.983 -9.252
569 2HB ARG 74 2HB ARG 74 -13.663 0.265 -9.502
570 1HG ARG 74 1HG ARG 74 -12.264 -0.660 -7.778
571 2HG ARG 74 2HG ARG 74 -13.443 -1.887 -7.351
572 1HD ARG 74 1HD ARG 74 -12.567 -1.753 -10.230
573 2HD ARG 74 2HD ARG 74 -11.367 -2.290 -9.051
574 HE ARG 74 HE ARG 74 -13.594 -3.747 -8.383
575 1HH1 ARG 74 2HH2 ARG 74 -11.900 -3.350 -11.536
576 2HH1 ARG 74 1HH2 ARG 74 -12.054 -5.040 -11.904
577 1HH2 ARG 74 2HH1 ARG 74 -13.497 -6.017 -8.885
578 2HH2 ARG 74 1HH1 ARG 74 -12.979 -6.501 -10.488
579 H GLY 75 H GLY 75 -14.116 0.285 -5.356
580 1HA GLY 75 1HA GLY 75 -15.116 -0.486 -3.415
581 2HA GLY 75 2HA GLY 75 -16.497 -1.084 -4.341
582 H GLY 76 H GLY 76 -12.965 -1.988 -5.115
583 1HA GLY 76 1HA GLY 76 -13.720 -4.765 -4.479
584 2HA GLY 76 2HA GLY 76 -12.323 -4.197 -5.393
585 H LEU 77 H LEU 77 -11.772 -1.990 -3.392
586 HA LEU 77 HA LEU 77 -10.080 -3.499 -1.597
587 1HB LEU 77 1HB LEU 77 -9.678 -1.122 -2.526
588 2HB LEU 77 2HB LEU 77 -10.813 -0.538 -1.319
589 HG LEU 77 HG LEU 77 -8.144 -1.853 -0.879
590 1HD1 LEU 77 3HD1 LEU 77 -8.123 0.481 -1.531
591 2HD1 LEU 77 1HD1 LEU 77 -9.205 0.900 -0.182
592 3HD1 LEU 77 2HD1 LEU 77 -7.565 0.299 0.132
593 1HD2 LEU 77 2HD2 LEU 77 -10.149 -1.083 1.278
594 2HD2 LEU 77 3HD2 LEU 77 -9.389 -2.677 1.021
595 3HD2 LEU 77 1HD2 LEU 77 -8.416 -1.330 1.579
596 H ASP 78 H ASP 78 -12.881 -1.350 -1.110
597 HA ASP 78 HA ASP 78 -13.031 -1.435 1.594
598 1HB ASP 78 1HB ASP 78 -14.357 0.094 0.300
599 2HB ASP 78 2HB ASP 78 -15.319 -1.208 -0.392
600 HA PRO 79 HA PRO 79 -15.705 -5.254 2.059
601 1HB PRO 79 1HB PRO 79 -16.249 -7.034 0.116
602 2HB PRO 79 2HB PRO 79 -17.156 -5.495 0.263
603 1HG PRO 79 1HG PRO 79 -14.790 -6.076 -1.560
604 2HG PRO 79 2HG PRO 79 -16.374 -5.366 -2.001
605 1HD PRO 79 1HD PRO 79 -14.191 -3.831 -1.445
606 2HD PRO 79 2HD PRO 79 -15.833 -3.306 -0.994
607 H LEU 80 H LEU 80 -12.774 -5.420 0.090
608 HA LEU 80 HA LEU 80 -12.032 -8.132 0.995
609 1HB LEU 80 1HB LEU 80 -10.576 -6.014 -0.634
610 2HB LEU 80 2HB LEU 80 -9.792 -7.459 -0.029
611 HG LEU 80 HG LEU 80 -12.085 -7.511 -2.005
612 1HD1 LEU 80 3HD1 LEU 80 -9.075 -8.018 -2.281
613 2HD1 LEU 80 1HD1 LEU 80 -10.264 -8.262 -3.564
614 3HD1 LEU 80 2HD1 LEU 80 -9.948 -6.628 -2.947
615 1HD2 LEU 80 2HD2 LEU 80 -10.306 -9.731 -0.920
616 2HD2 LEU 80 3HD2 LEU 80 -12.059 -9.558 -0.630
617 3HD2 LEU 80 1HD2 LEU 80 -11.461 -9.891 -2.256
618 H LEU 81 H LEU 81 -11.987 -4.984 2.352
619 HA LEU 81 HA LEU 81 -9.657 -5.109 3.936
620 1HB LEU 81 1HB LEU 81 -11.155 -3.186 3.734
621 2HB LEU 81 2HB LEU 81 -12.441 -4.042 4.562
622 HG LEU 81 HG LEU 81 -11.199 -2.259 5.805
623 1HD1 LEU 81 2HD1 LEU 81 -12.665 -3.846 6.939
624 2HD1 LEU 81 3HD1 LEU 81 -11.300 -4.933 7.234
625 3HD1 LEU 81 1HD1 LEU 81 -11.323 -3.321 7.962
626 1HD2 LEU 81 1HD2 LEU 81 -8.891 -2.865 5.201
627 2HD2 LEU 81 2HD2 LEU 81 -9.115 -2.810 6.956
628 3HD2 LEU 81 3HD2 LEU 81 -9.021 -4.369 6.127
629 H LYS 82 H LYS 82 -12.734 -6.791 4.274
630 HA LYS 82 HA LYS 82 -12.557 -7.706 6.954
631 1HB LYS 82 1HB LYS 82 -14.584 -7.539 5.424
632 2HB LYS 82 2HB LYS 82 -14.003 -8.973 4.584
633 1HG LYS 82 1HG LYS 82 -14.939 -8.748 7.472
634 2HG LYS 82 2HG LYS 82 -15.758 -9.532 6.118
635 1HD LYS 82 1HD LYS 82 -13.710 -11.112 6.013
636 2HD LYS 82 2HD LYS 82 -13.304 -10.469 7.620
637 1HE LYS 82 1HE LYS 82 -15.563 -11.135 8.434
638 2HE LYS 82 2HE LYS 82 -15.941 -11.769 6.825
639 1HZ LYS 82 3HZ LYS 82 -14.074 -13.337 7.128
640 2HZ LYS 82 1HZ LYS 82 -13.892 -12.821 8.675
641 3HZ LYS 82 2HZ LYS 82 -15.299 -13.548 8.190
642 1HB2 GTT 83 1HB2 GTT 83 9.489 6.821 -2.372
643 2HB2 GTT 83 2HB2 GTT 83 10.745 8.002 -2.729
644 HA2 GTT 83 HA2 GTT 83 10.661 7.588 -5.035
645 HN2 GTT 83 HN2 GTT 83 7.861 6.901 -4.533
646 1HG1 GTT 83 1HG1 GTT 83 6.543 7.712 -6.243
647 2HG1 GTT 83 2HG1 GTT 83 6.595 6.104 -6.955
648 1HB1 GTT 83 1HB1 GTT 83 7.327 6.965 -9.069
649 2HB1 GTT 83 2HB1 GTT 83 7.657 8.567 -8.412
650 HA1 GTT 83 HA1 GTT 83 4.857 7.377 -8.387
651 1HN1 GTT 83 1HN1 GTT 83 4.508 8.781 -10.308
652 2HN1 GTT 83 2HN1 GTT 83 6.119 9.009 -10.445
653 3HN1 GTT 83 3HN1 GTT 83 5.513 7.487 -10.644
654 HN3 GTT 83 HN3 GTT 83 12.407 6.143 -4.090
655 1HA3 GTT 83 1HA3 GTT 83 11.715 3.376 -3.457
656 2HA3 GTT 83 2HA3 GTT 83 12.585 3.653 -4.979
No H/Q in entry = 656
Start of MODEL 6
1 1H ALA 1 3H ALA 1 -7.956 -10.541 4.599
2 2H ALA 1 1H ALA 1 -8.091 -11.425 5.987
3 3H ALA 1 2H ALA 1 -9.201 -10.260 5.644
4 HA ALA 1 HA ALA 1 -7.753 -8.528 5.896
5 1HB ALA 1 2HB ALA 1 -8.782 -9.341 7.995
6 2HB ALA 1 3HB ALA 1 -7.433 -10.472 8.223
7 3HB ALA 1 1HB ALA 1 -7.161 -8.718 8.272
8 H ASN 2 H ASN 2 -5.932 -8.094 4.716
9 HA ASN 2 HA ASN 2 -3.555 -8.451 6.242
10 1HB ASN 2 1HB ASN 2 -3.797 -10.587 4.694
11 2HB ASN 2 2HB ASN 2 -3.362 -9.540 3.384
12 1HD2 ASN 2 2HD2 ASN 2 0.059 -9.054 4.551
13 2HD2 ASN 2 1HD2 ASN 2 -1.270 -8.211 3.758
14 H VAL 3 H VAL 3 -4.546 -5.975 5.957
15 HA VAL 3 HA VAL 3 -3.853 -4.904 3.307
16 HB VAL 3 HB VAL 3 -4.956 -3.506 5.754
17 1HG1 VAL 3 2HG1 VAL 3 -3.777 -2.005 4.137
18 2HG1 VAL 3 3HG1 VAL 3 -4.823 -2.596 2.840
19 3HG1 VAL 3 1HG1 VAL 3 -5.521 -1.689 4.196
20 1HG2 VAL 3 2HG2 VAL 3 -6.612 -5.161 4.872
21 2HG2 VAL 3 3HG2 VAL 3 -7.127 -3.489 4.685
22 3HG2 VAL 3 1HG2 VAL 3 -6.506 -4.369 3.285
23 H GLU 4 H GLU 4 -1.770 -4.392 2.947
24 HA GLU 4 HA GLU 4 -0.081 -3.330 5.164
25 1HB GLU 4 1HB GLU 4 0.679 -5.293 2.956
26 2HB GLU 4 2HB GLU 4 1.842 -4.465 3.996
27 1HG GLU 4 1HG GLU 4 0.941 -5.571 5.976
28 2HG GLU 4 2HG GLU 4 -0.329 -6.337 5.015
29 H ILE 5 H ILE 5 1.107 -1.475 4.414
30 HA ILE 5 HA ILE 5 1.066 -0.757 1.536
31 HB ILE 5 HB ILE 5 -0.859 0.360 2.179
32 1HG1 ILE 5 1HG1 ILE 5 1.328 2.407 2.705
33 2HG1 ILE 5 2HG1 ILE 5 0.941 1.797 1.101
34 1HG2 ILE 5 1HG2 ILE 5 -0.688 0.023 4.681
35 2HG2 ILE 5 2HG2 ILE 5 0.378 1.438 4.732
36 3HG2 ILE 5 3HG2 ILE 5 -1.302 1.588 4.193
37 1HD1 ILE 5 2HD1 ILE 5 -0.996 3.328 2.898
38 2HD1 ILE 5 3HD1 ILE 5 -0.020 4.014 1.614
39 3HD1 ILE 5 1HD1 ILE 5 -1.278 2.814 1.218
40 H TYR 6 H TYR 6 3.080 -0.525 0.995
41 HA TYR 6 HA TYR 6 5.166 -0.003 3.002
42 1HB TYR 6 1HB TYR 6 5.105 -0.743 0.069
43 2HB TYR 6 2HB TYR 6 6.563 -0.082 0.803
44 HD1 TYR 6 HD2 TYR 6 4.064 -2.878 1.222
45 HD2 TYR 6 HD1 TYR 6 7.955 -1.315 2.183
46 HE1 TYR 6 HE2 TYR 6 4.655 -5.024 2.304
47 HE2 TYR 6 HE1 TYR 6 8.581 -3.465 3.228
48 HH TYR 6 HH TYR 6 6.228 -6.127 3.660
49 H THR 7 H THR 7 6.190 1.891 3.346
50 HA THR 7 HA THR 7 5.554 4.237 1.647
51 HB THR 7 HB THR 7 5.203 5.426 3.866
52 HG1 THR 7 HG1 THR 7 4.787 4.193 5.656
53 1HG2 THR 7 1HG2 THR 7 3.304 4.632 2.392
54 2HG2 THR 7 2HG2 THR 7 3.269 3.134 3.351
55 3HG2 THR 7 3HG2 THR 7 2.892 4.672 4.114
56 H LYS 8 H LYS 8 7.079 6.091 2.145
57 HA LYS 8 HA LYS 8 9.421 5.378 3.683
58 1HB LYS 8 1HB LYS 8 11.061 5.927 1.973
59 2HB LYS 8 2HB LYS 8 10.108 4.535 1.506
60 1HG LYS 8 1HG LYS 8 8.786 5.973 -0.037
61 2HG LYS 8 2HG LYS 8 9.790 7.359 0.413
62 1HD LYS 8 1HD LYS 8 11.102 4.803 -0.585
63 2HD LYS 8 2HD LYS 8 10.401 5.944 -1.738
64 1HE LYS 8 1HE LYS 8 11.856 7.595 -1.335
65 2HE LYS 8 2HE LYS 8 12.202 7.099 0.335
66 1HZ LYS 8 2HZ LYS 8 13.110 5.434 -1.907
67 2HZ LYS 8 3HZ LYS 8 13.953 6.775 -1.442
68 3HZ LYS 8 1HZ LYS 8 13.751 5.604 -0.362
69 H GLU 9 H GLU 9 10.508 7.250 4.317
70 HA GLU 9 HA GLU 9 9.173 9.441 5.011
71 1HB GLU 9 1HB GLU 9 11.436 8.667 5.797
72 2HB GLU 9 2HB GLU 9 12.159 9.396 4.370
73 1HG GLU 9 1HG GLU 9 12.486 10.939 6.127
74 2HG GLU 9 2HG GLU 9 11.151 11.631 5.200
75 H THR 10 H THR 10 11.651 9.853 2.421
76 HA THR 10 HA THR 10 10.528 12.383 1.621
77 HB THR 10 HB THR 10 12.860 12.151 1.711
78 HG1 THR 10 HG1 THR 10 13.517 12.706 -0.327
79 1HG2 THR 10 3HG2 THR 10 12.676 9.761 -0.154
80 2HG2 THR 10 1HG2 THR 10 14.173 10.629 0.201
81 3HG2 THR 10 2HG2 THR 10 13.314 9.808 1.502
82 H CYS 11 H CYS 11 8.323 11.382 1.212
83 HA CYS 11 HA CYS 11 7.911 11.001 -1.636
84 1HB CYS 11 1HB CYS 11 8.730 8.772 -0.913
85 2HB CYS 11 2HB CYS 11 7.465 8.701 0.307
86 HA PRO 12 HA PRO 12 4.157 12.651 0.467
87 1HB PRO 12 1HB PRO 12 3.215 14.161 -1.545
88 2HB PRO 12 2HB PRO 12 4.495 14.738 -0.419
89 1HG PRO 12 1HG PRO 12 4.841 13.571 -3.180
90 2HG PRO 12 2HG PRO 12 5.617 15.031 -2.508
91 1HD PRO 12 1HD PRO 12 6.911 12.627 -2.550
92 2HD PRO 12 2HD PRO 12 7.120 13.725 -1.188
93 H TYR 13 H TYR 13 4.567 11.268 -2.872
94 HA TYR 13 HA TYR 13 1.904 10.400 -3.229
95 1HB TYR 13 1HB TYR 13 3.768 10.522 -4.887
96 2HB TYR 13 2HB TYR 13 4.498 9.107 -4.143
97 HD1 TYR 13 HD2 TYR 13 1.325 10.349 -5.781
98 HD2 TYR 13 HD1 TYR 13 4.017 7.050 -5.114
99 HE1 TYR 13 HE2 TYR 13 0.096 9.019 -7.446
100 HE2 TYR 13 HE1 TYR 13 2.707 5.660 -6.689
101 HH TYR 13 HH TYR 13 -0.193 6.942 -8.388
102 H SER 14 H SER 14 4.377 9.161 -1.061
103 HA SER 14 HA SER 14 3.011 6.666 -0.426
104 1HB SER 14 1HB SER 14 5.204 6.487 0.162
105 2HB SER 14 2HB SER 14 5.384 8.175 0.552
106 HG SER 14 HG SER 14 5.225 7.721 2.500
107 H HIS 15 H HIS 15 3.263 9.942 1.098
108 HA HIS 15 HA HIS 15 1.453 9.423 3.239
109 1HB HIS 15 1HB HIS 15 2.199 12.008 1.822
110 2HB HIS 15 2HB HIS 15 1.052 11.952 3.152
111 HD1 HIS 15 HD1 HIS 15 1.994 11.074 5.592
112 HD2 HIS 15 HD2 HIS 15 4.823 11.848 2.511
113 HE1 HIS 15 HE1 HIS 15 4.250 11.311 6.699
114 HE2 HIS 15 HE2 HIS 15 5.986 11.766 4.872
115 H ARG 16 H ARG 16 0.798 10.702 0.008
116 HA ARG 16 HA ARG 16 -1.945 11.085 0.029
117 1HB ARG 16 1HB ARG 16 0.041 10.037 -2.003
118 2HB ARG 16 2HB ARG 16 -1.657 10.063 -2.405
119 1HG ARG 16 1HG ARG 16 -1.802 12.455 -1.909
120 2HG ARG 16 2HG ARG 16 -0.077 12.509 -1.499
121 1HD ARG 16 1HD ARG 16 0.607 12.109 -3.708
122 2HD ARG 16 2HD ARG 16 -0.923 11.361 -4.176
123 HE ARG 16 HE ARG 16 -0.213 14.146 -4.230
124 1HH1 ARG 16 2HH2 ARG 16 -3.034 12.026 -3.744
125 2HH1 ARG 16 1HH2 ARG 16 -4.097 12.924 -4.760
126 1HH2 ARG 16 2HH1 ARG 16 -1.662 15.411 -5.524
127 2HH2 ARG 16 1HH1 ARG 16 -3.354 15.012 -5.595
128 H ALA 17 H ALA 17 -0.295 7.844 -0.360
129 HA ALA 17 HA ALA 17 -2.864 6.597 -0.710
130 1HB ALA 17 2HB ALA 17 -0.141 5.437 -0.016
131 2HB ALA 17 3HB ALA 17 -1.571 4.480 -0.493
132 3HB ALA 17 1HB ALA 17 -0.821 5.609 -1.633
133 H LYS 18 H LYS 18 -1.162 7.450 2.191
134 HA LYS 18 HA LYS 18 -2.997 5.789 3.817
135 1HB LYS 18 1HB LYS 18 -1.269 8.021 4.917
136 2HB LYS 18 2HB LYS 18 -2.118 6.728 5.760
137 1HG LYS 18 1HG LYS 18 -0.051 5.745 5.721
138 2HG LYS 18 2HG LYS 18 -0.665 5.141 4.198
139 1HD LYS 18 1HD LYS 18 1.147 6.056 3.203
140 2HD LYS 18 2HD LYS 18 0.374 7.591 3.431
141 1HE LYS 18 1HE LYS 18 2.572 6.349 5.104
142 2HE LYS 18 2HE LYS 18 2.568 7.904 4.284
143 1HZ LYS 18 2HZ LYS 18 0.875 8.592 6.010
144 2HZ LYS 18 3HZ LYS 18 1.126 7.134 6.743
145 3HZ LYS 18 1HZ LYS 18 2.348 8.187 6.631
146 H ALA 19 H ALA 19 -2.706 9.209 2.766
147 HA ALA 19 HA ALA 19 -4.993 10.183 4.131
148 1HB ALA 19 3HB ALA 19 -3.318 11.530 2.719
149 2HB ALA 19 1HB ALA 19 -4.190 10.959 1.283
150 3HB ALA 19 2HB ALA 19 -5.033 11.934 2.488
151 H LEU 20 H LEU 20 -4.738 8.277 1.163
152 HA LEU 20 HA LEU 20 -7.572 8.276 0.598
153 1HB LEU 20 1HB LEU 20 -6.075 7.700 -1.098
154 2HB LEU 20 2HB LEU 20 -5.260 6.452 -0.191
155 HG LEU 20 HG LEU 20 -6.668 5.765 -2.133
156 1HD1 LEU 20 3HD1 LEU 20 -6.048 4.157 -0.323
157 2HD1 LEU 20 1HD1 LEU 20 -7.680 4.376 0.358
158 3HD1 LEU 20 2HD1 LEU 20 -7.481 3.737 -1.275
159 1HD2 LEU 20 2HD2 LEU 20 -8.575 7.247 -1.758
160 2HD2 LEU 20 3HD2 LEU 20 -9.069 5.531 -1.847
161 3HD2 LEU 20 1HD2 LEU 20 -8.972 6.350 -0.276
162 H LEU 21 H LEU 21 -5.555 5.715 2.072
163 HA LEU 21 HA LEU 21 -7.727 4.115 2.842
164 1HB LEU 21 1HB LEU 21 -4.964 4.438 4.022
165 2HB LEU 21 2HB LEU 21 -6.124 3.303 4.712
166 HG LEU 21 HG LEU 21 -5.804 3.184 1.730
167 1HD1 LEU 21 3HD1 LEU 21 -3.503 3.436 2.415
168 2HD1 LEU 21 1HD1 LEU 21 -3.680 2.101 3.575
169 3HD1 LEU 21 2HD1 LEU 21 -3.826 1.812 1.813
170 1HD2 LEU 21 3HD2 LEU 21 -6.065 1.088 3.922
171 2HD2 LEU 21 1HD2 LEU 21 -7.337 1.656 2.809
172 3HD2 LEU 21 2HD2 LEU 21 -5.965 0.728 2.195
173 H SER 22 H SER 22 -6.250 6.724 4.877
174 HA SER 22 HA SER 22 -8.136 6.373 6.995
175 1HB SER 22 1HB SER 22 -6.432 8.788 6.262
176 2HB SER 22 2HB SER 22 -7.214 8.477 7.827
177 HG SER 22 HG SER 22 -6.008 6.416 7.767
178 H SER 23 H SER 23 -8.245 8.478 4.003
179 HA SER 23 HA SER 23 -10.644 9.818 4.760
180 1HB SER 23 1HB SER 23 -9.273 10.523 2.886
181 2HB SER 23 2HB SER 23 -9.518 8.983 2.051
182 HG SER 23 HG SER 23 -11.577 10.830 2.696
183 H LYS 24 H LYS 24 -10.050 6.553 3.445
184 HA LYS 24 HA LYS 24 -12.926 5.911 3.263
185 1HB LYS 24 1HB LYS 24 -10.479 4.126 2.985
186 2HB LYS 24 2HB LYS 24 -12.128 3.726 2.500
187 1HG LYS 24 1HG LYS 24 -10.395 5.896 1.268
188 2HG LYS 24 2HG LYS 24 -10.629 4.291 0.610
189 1HD LYS 24 1HD LYS 24 -13.036 4.811 0.346
190 2HD LYS 24 2HD LYS 24 -12.757 6.439 0.984
191 1HE LYS 24 1HE LYS 24 -11.377 7.076 -0.850
192 2HE LYS 24 2HE LYS 24 -11.143 5.389 -1.348
193 1HZ LYS 24 3HZ LYS 24 -13.760 6.734 -1.528
194 2HZ LYS 24 1HZ LYS 24 -12.710 6.557 -2.795
195 3HZ LYS 24 2HZ LYS 24 -13.345 5.243 -2.051
196 H GLY 25 H GLY 25 -10.874 6.264 5.878
197 1HA GLY 25 1HA GLY 25 -10.884 5.549 8.018
198 2HA GLY 25 2HA GLY 25 -12.520 4.950 7.733
199 H VAL 26 H VAL 26 -9.765 3.679 5.867
200 HA VAL 26 HA VAL 26 -10.461 0.988 6.810
201 HB VAL 26 HB VAL 26 -8.516 2.038 4.753
202 1HG1 VAL 26 1HG1 VAL 26 -9.290 -0.842 5.223
203 2HG1 VAL 26 2HG1 VAL 26 -8.448 -0.251 3.792
204 3HG1 VAL 26 3HG1 VAL 26 -7.661 -0.128 5.351
205 1HG2 VAL 26 2HG2 VAL 26 -10.995 2.301 4.214
206 2HG2 VAL 26 3HG2 VAL 26 -10.123 1.282 3.064
207 3HG2 VAL 26 1HG2 VAL 26 -11.149 0.549 4.316
208 H SER 27 H SER 27 -8.920 -0.416 7.473
209 HA SER 27 HA SER 27 -6.816 0.584 9.332
210 1HB SER 27 1HB SER 27 -8.342 -2.059 9.140
211 2HB SER 27 2HB SER 27 -6.969 -1.777 10.218
212 HG SER 27 HG SER 27 -9.495 -0.458 10.218
213 H PHE 28 H PHE 28 -4.660 0.018 8.934
214 HA PHE 28 HA PHE 28 -3.959 -2.049 6.948
215 1HB PHE 28 1HB PHE 28 -2.710 -0.414 5.599
216 2HB PHE 28 2HB PHE 28 -4.416 -0.043 5.586
217 HD1 PHE 28 HD2 PHE 28 -1.120 1.089 6.959
218 HD2 PHE 28 HD1 PHE 28 -5.282 2.044 6.397
219 HE1 PHE 28 HE2 PHE 28 -0.652 3.465 7.507
220 HE2 PHE 28 HE1 PHE 28 -4.783 4.430 6.868
221 HZ PHE 28 HZ PHE 28 -2.475 5.136 7.449
222 H GLN 29 H GLN 29 -1.482 -2.126 6.849
223 HA GLN 29 HA GLN 29 -0.208 -1.314 9.336
224 1HB GLN 29 1HB GLN 29 -0.537 -3.908 8.973
225 2HB GLN 29 2HB GLN 29 0.706 -3.716 7.758
226 1HG GLN 29 1HG GLN 29 1.927 -4.250 9.708
227 2HG GLN 29 2HG GLN 29 2.140 -2.527 9.525
228 1HE2 GLN 29 2HE2 GLN 29 1.132 -3.711 13.113
229 2HE2 GLN 29 1HE2 GLN 29 2.017 -4.624 11.908
230 H GLU 30 H GLU 30 0.805 0.374 8.761
231 HA GLU 30 HA GLU 30 1.929 0.814 6.103
232 1HB GLU 30 1HB GLU 30 1.319 2.502 8.273
233 2HB GLU 30 2HB GLU 30 3.096 2.401 8.272
234 1HG GLU 30 1HG GLU 30 2.996 2.869 5.787
235 2HG GLU 30 2HG GLU 30 1.292 3.271 5.995
236 H LEU 31 H LEU 31 4.022 0.373 5.475
237 HA LEU 31 HA LEU 31 5.936 -0.824 7.428
238 1HB LEU 31 1HB LEU 31 5.261 -1.635 4.583
239 2HB LEU 31 2HB LEU 31 6.781 -2.041 5.348
240 HG LEU 31 HG LEU 31 5.391 -3.894 5.402
241 1HD1 LEU 31 2HD1 LEU 31 6.833 -3.490 7.406
242 2HD1 LEU 31 3HD1 LEU 31 5.419 -2.836 8.255
243 3HD1 LEU 31 1HD1 LEU 31 5.436 -4.529 7.739
244 1HD2 LEU 31 1HD2 LEU 31 3.173 -2.776 5.304
245 2HD2 LEU 31 2HD2 LEU 31 3.270 -4.167 6.403
246 3HD2 LEU 31 3HD2 LEU 31 3.287 -2.530 7.063
247 HA PRO 32 HA PRO 32 8.105 2.823 5.626
248 1HB PRO 32 1HB PRO 32 10.012 2.829 7.718
249 2HB PRO 32 2HB PRO 32 8.632 3.918 7.485
250 1HG PRO 32 1HG PRO 32 8.898 1.479 9.230
251 2HG PRO 32 2HG PRO 32 7.911 2.938 9.524
252 1HD PRO 32 1HD PRO 32 6.866 0.535 8.704
253 2HD PRO 32 2HD PRO 32 6.137 2.099 8.247
254 H ILE 33 H ILE 33 9.833 2.680 4.390
255 HA ILE 33 HA ILE 33 11.858 0.505 4.708
256 HB ILE 33 HB ILE 33 11.862 0.619 2.109
257 1HG1 ILE 33 1HG1 ILE 33 8.915 1.151 2.406
258 2HG1 ILE 33 2HG1 ILE 33 10.078 2.466 2.203
259 1HG2 ILE 33 1HG2 ILE 33 9.721 -0.849 3.678
260 2HG2 ILE 33 2HG2 ILE 33 10.238 -1.250 2.017
261 3HG2 ILE 33 3HG2 ILE 33 11.387 -1.384 3.349
262 1HD1 ILE 33 3HD1 ILE 33 10.901 1.403 0.120
263 2HD1 ILE 33 1HD1 ILE 33 9.493 0.289 0.223
264 3HD1 ILE 33 2HD1 ILE 33 9.289 2.048 0.099
265 H ASP 34 H ASP 34 11.480 3.884 4.710
266 HA ASP 34 HA ASP 34 13.820 4.484 3.119
267 1HB ASP 34 1HB ASP 34 13.877 6.645 4.458
268 2HB ASP 34 2HB ASP 34 12.405 6.366 3.549
269 H GLY 35 H GLY 35 13.255 3.614 6.526
270 1HA GLY 35 1HA GLY 35 16.161 3.714 7.114
271 2HA GLY 35 2HA GLY 35 14.840 3.506 8.258
272 H ASN 36 H ASN 36 14.488 1.527 5.429
273 HA ASN 36 HA ASN 36 15.613 -0.864 6.733
274 1HB ASN 36 1HB ASN 36 13.694 -0.994 7.944
275 2HB ASN 36 2HB ASN 36 12.736 -0.068 6.799
276 1HD2 ASN 36 2HD2 ASN 36 11.254 -2.888 5.404
277 2HD2 ASN 36 1HD2 ASN 36 11.136 -1.230 5.925
278 H ALA 37 H ALA 37 16.915 -1.102 4.912
279 HA ALA 37 HA ALA 37 15.750 -1.256 2.258
280 1HB ALA 37 2HB ALA 37 18.106 -0.607 2.619
281 2HB ALA 37 3HB ALA 37 18.452 -2.224 3.273
282 3HB ALA 37 1HB ALA 37 17.966 -2.037 1.583
283 H ALA 38 H ALA 38 16.266 -3.518 4.845
284 HA ALA 38 HA ALA 38 16.308 -5.955 3.524
285 1HB ALA 38 2HB ALA 38 15.109 -5.304 6.264
286 2HB ALA 38 3HB ALA 38 15.480 -6.931 5.667
287 3HB ALA 38 1HB ALA 38 16.782 -5.764 5.925
288 H LYS 39 H LYS 39 13.350 -4.670 5.127
289 HA LYS 39 HA LYS 39 11.670 -6.499 3.634
290 1HB LYS 39 1HB LYS 39 11.307 -4.741 5.841
291 2HB LYS 39 2HB LYS 39 10.183 -4.199 4.605
292 1HG LYS 39 1HG LYS 39 9.353 -6.578 4.424
293 2HG LYS 39 2HG LYS 39 10.392 -7.001 5.792
294 1HD LYS 39 1HD LYS 39 8.239 -4.848 5.851
295 2HD LYS 39 2HD LYS 39 7.978 -6.495 6.405
296 1HE LYS 39 1HE LYS 39 10.223 -4.788 7.571
297 2HE LYS 39 2HE LYS 39 8.561 -4.610 8.125
298 1HZ LYS 39 2HZ LYS 39 10.026 -7.177 8.237
299 2HZ LYS 39 3HZ LYS 39 9.813 -6.125 9.484
300 3HZ LYS 39 1HZ LYS 39 8.513 -6.853 8.792
301 H ARG 40 H ARG 40 13.161 -3.484 2.699
302 HA ARG 40 HA ARG 40 11.160 -2.971 0.650
303 1HB ARG 40 1HB ARG 40 13.036 -1.294 1.445
304 2HB ARG 40 2HB ARG 40 14.051 -2.139 0.252
305 1HG ARG 40 1HG ARG 40 12.190 -1.813 -1.451
306 2HG ARG 40 2HG ARG 40 11.306 -0.917 -0.240
307 1HD ARG 40 1HD ARG 40 13.739 -0.110 -1.822
308 2HD ARG 40 2HD ARG 40 12.201 0.724 -1.618
309 HE ARG 40 HE ARG 40 13.465 0.547 0.928
310 1HH1 ARG 40 2HH2 ARG 40 13.948 2.161 -2.198
311 2HH1 ARG 40 1HH2 ARG 40 14.919 3.436 -1.529
312 1HH2 ARG 40 2HH1 ARG 40 14.544 2.322 1.837
313 2HH2 ARG 40 1HH1 ARG 40 15.323 3.494 0.837
314 H GLU 41 H GLU 41 14.231 -4.833 0.848
315 HA GLU 41 HA GLU 41 14.396 -5.635 -1.822
316 1HB GLU 41 1HB GLU 41 15.897 -5.933 0.346
317 2HB GLU 41 2HB GLU 41 15.105 -7.489 0.476
318 1HG GLU 41 1HG GLU 41 16.342 -6.693 -2.169
319 2HG GLU 41 2HG GLU 41 17.407 -7.090 -0.825
320 H GLU 42 H GLU 42 12.670 -7.128 0.922
321 HA GLU 42 HA GLU 42 11.368 -9.214 -0.445
322 1HB GLU 42 1HB GLU 42 11.524 -8.860 2.043
323 2HB GLU 42 2HB GLU 42 10.371 -7.539 1.900
324 1HG GLU 42 1HG GLU 42 9.043 -9.293 2.588
325 2HG GLU 42 2HG GLU 42 8.751 -9.263 0.856
326 H MET 43 H MET 43 10.103 -5.875 0.209
327 HA MET 43 HA MET 43 7.679 -6.168 -1.224
328 1HB MET 43 1HB MET 43 8.244 -4.330 0.378
329 2HB MET 43 2HB MET 43 9.353 -3.657 -0.810
330 1HG MET 43 1HG MET 43 6.934 -3.903 -2.236
331 2HG MET 43 2HG MET 43 6.423 -3.486 -0.623
332 1HE MET 43 2HE MET 43 8.284 -2.412 -3.871
333 2HE MET 43 3HE MET 43 9.009 -0.849 -3.441
334 3HE MET 43 1HE MET 43 9.668 -2.350 -2.753
335 H ILE 44 H ILE 44 10.915 -5.236 -2.428
336 HA ILE 44 HA ILE 44 10.073 -4.497 -5.069
337 HB ILE 44 HB ILE 44 12.726 -5.546 -4.005
338 1HG1 ILE 44 1HG1 ILE 44 12.105 -2.746 -4.940
339 2HG1 ILE 44 2HG1 ILE 44 11.729 -3.190 -3.314
340 1HG2 ILE 44 3HG2 ILE 44 12.042 -4.388 -6.756
341 2HG2 ILE 44 1HG2 ILE 44 13.686 -4.680 -6.167
342 3HG2 ILE 44 2HG2 ILE 44 12.599 -6.035 -6.417
343 1HD1 ILE 44 1HD1 ILE 44 14.508 -3.296 -4.550
344 2HD1 ILE 44 2HD1 ILE 44 13.888 -2.057 -3.450
345 3HD1 ILE 44 3HD1 ILE 44 14.094 -3.718 -2.873
346 H LYS 45 H LYS 45 11.223 -7.635 -3.635
347 HA LYS 45 HA LYS 45 10.753 -9.068 -6.063
348 1HB LYS 45 1HB LYS 45 12.243 -9.667 -4.062
349 2HB LYS 45 2HB LYS 45 10.784 -10.285 -3.272
350 1HG LYS 45 1HG LYS 45 10.468 -11.937 -5.034
351 2HG LYS 45 2HG LYS 45 11.687 -11.153 -6.058
352 1HD LYS 45 1HD LYS 45 13.411 -11.637 -4.394
353 2HD LYS 45 2HD LYS 45 12.221 -12.507 -3.399
354 1HE LYS 45 1HE LYS 45 11.877 -14.090 -5.331
355 2HE LYS 45 2HE LYS 45 13.128 -13.211 -6.232
356 1HZ LYS 45 1HZ LYS 45 14.651 -13.755 -4.349
357 2HZ LYS 45 2HZ LYS 45 13.482 -14.716 -3.715
358 3HZ LYS 45 3HZ LYS 45 14.149 -15.073 -5.184
359 H ARG 46 H ARG 46 8.585 -8.194 -3.434
360 HA ARG 46 HA ARG 46 6.393 -9.859 -4.510
361 1HB ARG 46 1HB ARG 46 6.785 -8.070 -2.102
362 2HB ARG 46 2HB ARG 46 5.163 -8.497 -2.626
363 1HG ARG 46 1HG ARG 46 5.553 -10.847 -2.420
364 2HG ARG 46 2HG ARG 46 7.270 -10.591 -2.077
365 1HD ARG 46 1HD ARG 46 5.962 -11.106 -0.042
366 2HD ARG 46 2HD ARG 46 6.789 -9.544 0.025
367 HE ARG 46 HE ARG 46 4.020 -9.386 -0.862
368 1HH1 ARG 46 2HH2 ARG 46 5.997 -9.690 2.080
369 2HH1 ARG 46 1HH2 ARG 46 5.111 -8.482 2.965
370 1HH2 ARG 46 2HH1 ARG 46 2.651 -8.013 0.471
371 2HH2 ARG 46 1HH1 ARG 46 2.986 -7.840 2.163
372 H SER 47 H SER 47 7.663 -6.964 -5.627
373 HA SER 47 HA SER 47 4.965 -6.335 -6.786
374 1HB SER 47 1HB SER 47 5.538 -3.947 -6.689
375 2HB SER 47 2HB SER 47 5.482 -4.683 -5.081
376 HG SER 47 HG SER 47 7.668 -4.729 -4.999
377 H GLY 48 H GLY 48 8.326 -6.890 -7.484
378 1HA GLY 48 1HA GLY 48 9.614 -6.674 -9.316
379 2HA GLY 48 2HA GLY 48 8.162 -6.991 -10.271
380 H ARG 49 H ARG 49 8.507 -4.166 -8.124
381 HA ARG 49 HA ARG 49 8.442 -2.414 -10.550
382 1HB ARG 49 1HB ARG 49 6.353 -2.908 -8.605
383 2HB ARG 49 2HB ARG 49 6.906 -1.243 -8.417
384 1HG ARG 49 1HG ARG 49 6.629 -0.860 -10.832
385 2HG ARG 49 2HG ARG 49 6.207 -2.569 -11.070
386 1HD ARG 49 1HD ARG 49 4.135 -2.288 -9.837
387 2HD ARG 49 2HD ARG 49 4.587 -0.638 -9.403
388 HE ARG 49 HE ARG 49 3.929 -1.626 -12.152
389 1HH1 ARG 49 2HH2 ARG 49 4.084 1.125 -9.945
390 2HH1 ARG 49 1HH2 ARG 49 4.116 2.321 -11.193
391 1HH2 ARG 49 2HH1 ARG 49 3.691 -0.139 -13.764
392 2HH2 ARG 49 1HH1 ARG 49 3.560 1.563 -13.472
393 H THR 50 H THR 50 9.274 -2.475 -7.111
394 HA THR 50 HA THR 50 10.988 -1.568 -6.060
395 HB THR 50 HB THR 50 12.150 -0.280 -8.469
396 HG1 THR 50 HG1 THR 50 13.081 -2.490 -8.855
397 1HG2 THR 50 1HG2 THR 50 13.312 -0.301 -6.177
398 2HG2 THR 50 2HG2 THR 50 13.567 -2.039 -6.457
399 3HG2 THR 50 3HG2 THR 50 14.246 -0.841 -7.571
400 H THR 51 H THR 51 8.779 0.403 -7.687
401 HA THR 51 HA THR 51 9.668 2.809 -6.276
402 HB THR 51 HB THR 51 7.636 3.824 -7.381
403 HG1 THR 51 HG1 THR 51 6.283 2.228 -7.673
404 1HG2 THR 51 3HG2 THR 51 9.862 3.845 -8.470
405 2HG2 THR 51 1HG2 THR 51 9.463 2.332 -9.313
406 3HG2 THR 51 2HG2 THR 51 8.534 3.810 -9.641
407 H VAL 52 H VAL 52 8.296 3.884 -4.671
408 HA VAL 52 HA VAL 52 6.046 2.212 -3.671
409 HB VAL 52 HB VAL 52 6.584 3.807 -1.519
410 1HG1 VAL 52 3HG1 VAL 52 6.255 1.270 -1.774
411 2HG1 VAL 52 1HG1 VAL 52 8.016 1.191 -1.969
412 3HG1 VAL 52 2HG1 VAL 52 7.268 1.855 -0.473
413 1HG2 VAL 52 2HG2 VAL 52 8.642 4.732 -2.563
414 2HG2 VAL 52 3HG2 VAL 52 8.901 3.881 -1.033
415 3HG2 VAL 52 1HG2 VAL 52 9.354 3.103 -2.559
416 HA PRO 53 HA PRO 53 4.643 2.817 -1.577
417 1HB PRO 53 1HB PRO 53 1.965 2.829 -1.328
418 2HB PRO 53 2HB PRO 53 2.980 4.174 -0.726
419 1HG PRO 53 1HG PRO 53 1.452 4.019 -3.337
420 2HG PRO 53 2HG PRO 53 1.499 5.364 -2.152
421 1HD PRO 53 1HD PRO 53 3.073 5.212 -4.405
422 2HD PRO 53 2HD PRO 53 3.588 6.090 -2.926
423 H GLN 54 H GLN 54 3.406 0.737 -1.443
424 HA GLN 54 HA GLN 54 2.331 -0.386 -3.899
425 1HB GLN 54 1HB GLN 54 4.485 -1.774 -2.217
426 2HB GLN 54 2HB GLN 54 3.529 -2.542 -3.475
427 1HG GLN 54 1HG GLN 54 5.578 -0.333 -3.855
428 2HG GLN 54 2HG GLN 54 5.795 -2.034 -4.252
429 1HE2 GLN 54 2HE2 GLN 54 4.707 0.204 -7.221
430 2HE2 GLN 54 1HE2 GLN 54 6.002 0.285 -6.032
431 H ILE 55 H ILE 55 0.473 -1.837 -3.163
432 HA ILE 55 HA ILE 55 0.283 -2.033 -0.241
433 HB ILE 55 HB ILE 55 -1.883 -1.233 -2.232
434 1HG1 ILE 55 1HG1 ILE 55 -1.873 0.693 -0.261
435 2HG1 ILE 55 2HG1 ILE 55 -0.187 0.266 -0.251
436 1HG2 ILE 55 1HG2 ILE 55 -2.778 -2.748 -0.452
437 2HG2 ILE 55 2HG2 ILE 55 -2.140 -1.643 0.780
438 3HG2 ILE 55 3HG2 ILE 55 -3.411 -1.126 -0.324
439 1HD1 ILE 55 2HD1 ILE 55 -0.056 0.837 -2.700
440 2HD1 ILE 55 3HD1 ILE 55 -1.777 1.250 -2.654
441 3HD1 ILE 55 1HD1 ILE 55 -0.616 2.187 -1.703
442 H PHE 56 H PHE 56 -0.791 -3.904 0.412
443 HA PHE 56 HA PHE 56 -1.275 -6.012 -1.597
444 1HB PHE 56 1HB PHE 56 0.204 -6.361 1.050
445 2HB PHE 56 2HB PHE 56 -0.302 -7.658 -0.021
446 HD1 PHE 56 HD1 PHE 56 2.008 -4.732 0.307
447 HD2 PHE 56 HD2 PHE 56 0.979 -8.264 -1.962
448 HE1 PHE 56 HE1 PHE 56 4.067 -4.459 -1.052
449 HE2 PHE 56 HE2 PHE 56 3.047 -8.014 -3.267
450 HZ PHE 56 HZ PHE 56 4.560 -6.077 -2.899
451 H ILE 57 H ILE 57 -3.163 -7.115 -1.096
452 HA ILE 57 HA ILE 57 -4.213 -6.927 1.645
453 HB ILE 57 HB ILE 57 -6.059 -6.348 -0.701
454 1HG1 ILE 57 1HG1 ILE 57 -5.036 -4.441 1.457
455 2HG1 ILE 57 2HG1 ILE 57 -4.568 -4.385 -0.234
456 1HG2 ILE 57 2HG2 ILE 57 -6.448 -6.447 2.337
457 2HG2 ILE 57 3HG2 ILE 57 -7.689 -5.946 1.181
458 3HG2 ILE 57 1HG2 ILE 57 -7.091 -7.595 1.153
459 1HD1 ILE 57 1HD1 ILE 57 -6.918 -3.926 -0.883
460 2HD1 ILE 57 2HD1 ILE 57 -7.323 -3.804 0.850
461 3HD1 ILE 57 3HD1 ILE 57 -6.158 -2.684 0.138
462 H ASP 58 H ASP 58 -5.005 -8.941 2.244
463 HA ASP 58 HA ASP 58 -4.903 -11.225 2.178
464 1HB ASP 58 1HB ASP 58 -6.743 -10.447 -0.066
465 2HB ASP 58 2HB ASP 58 -6.512 -12.140 0.373
466 H ALA 59 H ALA 59 -2.767 -10.177 1.207
467 HA ALA 59 HA ALA 59 -0.738 -10.523 0.301
468 1HB ALA 59 1HB ALA 59 -0.982 -12.856 1.002
469 2HB ALA 59 2HB ALA 59 -1.724 -13.254 -0.566
470 3HB ALA 59 3HB ALA 59 -0.043 -12.702 -0.496
471 H GLN 60 H GLN 60 -3.468 -10.251 -1.685
472 HA GLN 60 HA GLN 60 -2.162 -10.525 -4.262
473 1HB GLN 60 1HB GLN 60 -4.805 -9.291 -3.361
474 2HB GLN 60 2HB GLN 60 -4.284 -9.347 -5.043
475 1HG GLN 60 1HG GLN 60 -4.578 -11.606 -5.247
476 2HG GLN 60 2HG GLN 60 -4.153 -11.948 -3.582
477 1HE2 GLN 60 2HE2 GLN 60 -7.453 -11.913 -2.321
478 2HE2 GLN 60 1HE2 GLN 60 -5.749 -11.920 -1.943
479 H HIS 61 H HIS 61 -0.896 -9.073 -5.167
480 HA HIS 61 HA HIS 61 -0.266 -6.589 -3.767
481 1HB HIS 61 1HB HIS 61 1.527 -7.923 -4.821
482 2HB HIS 61 2HB HIS 61 0.698 -7.919 -6.352
483 HD1 HIS 61 HD1 HIS 61 2.169 -6.483 -7.942
484 HD2 HIS 61 HD2 HIS 61 1.586 -4.853 -4.057
485 HE1 HIS 61 HE1 HIS 61 3.211 -4.165 -7.953
486 HE2 HIS 61 HE2 HIS 61 2.773 -3.105 -5.676
487 H ILE 62 H ILE 62 -1.419 -4.743 -4.097
488 HA ILE 62 HA ILE 62 -3.560 -4.705 -6.019
489 HB ILE 62 HB ILE 62 -2.487 -2.333 -4.437
490 1HG1 ILE 62 1HG1 ILE 62 -2.665 -3.933 -2.775
491 2HG1 ILE 62 2HG1 ILE 62 -4.062 -2.908 -2.624
492 1HG2 ILE 62 2HG2 ILE 62 -5.278 -3.007 -5.439
493 2HG2 ILE 62 3HG2 ILE 62 -4.847 -1.598 -4.458
494 3HG2 ILE 62 1HG2 ILE 62 -4.202 -1.764 -6.091
495 1HD1 ILE 62 2HD1 ILE 62 -4.190 -5.653 -3.961
496 2HD1 ILE 62 3HD1 ILE 62 -4.656 -5.303 -2.304
497 3HD1 ILE 62 1HD1 ILE 62 -5.549 -4.557 -3.635
498 H GLY 63 H GLY 63 -0.647 -2.692 -5.588
499 1HA GLY 63 1HA GLY 63 0.602 -2.242 -7.846
500 2HA GLY 63 2HA GLY 63 -0.960 -1.453 -8.206
501 H GLY 64 H GLY 64 -0.389 0.694 -7.948
502 1HA GLY 64 1HA GLY 64 1.091 1.596 -5.532
503 2HA GLY 64 2HA GLY 64 0.839 2.507 -7.021
504 H TYR 65 H TYR 65 0.040 4.252 -5.998
505 HA TYR 65 HA TYR 65 -1.995 4.296 -3.928
506 1HB TYR 65 1HB TYR 65 -0.290 6.054 -3.966
507 2HB TYR 65 2HB TYR 65 -0.583 6.357 -5.668
508 HD1 TYR 65 HD2 TYR 65 -2.809 6.125 -2.695
509 HD2 TYR 65 HD1 TYR 65 -1.619 8.438 -6.106
510 HE1 TYR 65 HE2 TYR 65 -4.205 8.005 -1.905
511 HE2 TYR 65 HE1 TYR 65 -3.133 10.247 -5.434
512 HH TYR 65 HH TYR 65 -5.046 10.786 -3.898
513 H ASP 66 H ASP 66 -1.836 5.479 -7.341
514 HA ASP 66 HA ASP 66 -4.558 6.183 -7.455
515 1HB ASP 66 1HB ASP 66 -2.590 5.416 -9.648
516 2HB ASP 66 2HB ASP 66 -4.195 6.097 -9.944
517 H ASP 67 H ASP 67 -2.860 3.157 -8.084
518 HA ASP 67 HA ASP 67 -5.056 1.606 -9.104
519 1HB ASP 67 1HB ASP 67 -2.679 0.747 -7.406
520 2HB ASP 67 2HB ASP 67 -3.888 -0.363 -8.031
521 H LEU 68 H LEU 68 -3.804 1.963 -5.683
522 HA LEU 68 HA LEU 68 -5.931 0.357 -4.667
523 1HB LEU 68 1HB LEU 68 -3.866 0.855 -3.379
524 2HB LEU 68 2HB LEU 68 -4.384 2.538 -3.211
525 HG LEU 68 HG LEU 68 -6.515 1.668 -2.061
526 1HD1 LEU 68 1HD1 LEU 68 -4.925 -0.923 -2.149
527 2HD1 LEU 68 2HD1 LEU 68 -6.249 -0.625 -1.023
528 3HD1 LEU 68 3HD1 LEU 68 -6.576 -0.650 -2.759
529 1HD2 LEU 68 1HD2 LEU 68 -4.591 2.594 -0.824
530 2HD2 LEU 68 2HD2 LEU 68 -5.598 1.424 0.045
531 3HD2 LEU 68 3HD2 LEU 68 -4.016 0.936 -0.591
532 H TYR 69 H TYR 69 -5.686 3.841 -5.016
533 HA TYR 69 HA TYR 69 -8.063 4.657 -3.692
534 1HB TYR 69 1HB TYR 69 -6.149 6.091 -4.561
535 2HB TYR 69 2HB TYR 69 -6.735 5.847 -6.192
536 HD1 TYR 69 HD1 TYR 69 -9.485 6.498 -6.421
537 HD2 TYR 69 HD2 TYR 69 -6.590 8.141 -3.655
538 HE1 TYR 69 HE1 TYR 69 -10.916 8.458 -6.085
539 HE2 TYR 69 HE2 TYR 69 -8.006 10.120 -3.341
540 HH TYR 69 HH TYR 69 -9.962 11.244 -4.039
541 H ALA 70 H ALA 70 -7.535 3.735 -7.132
542 HA ALA 70 HA ALA 70 -10.324 3.998 -7.875
543 1HB ALA 70 2HB ALA 70 -8.022 2.450 -9.147
544 2HB ALA 70 3HB ALA 70 -9.604 2.738 -9.888
545 3HB ALA 70 1HB ALA 70 -8.536 4.110 -9.545
546 H LEU 71 H LEU 71 -8.273 1.318 -6.717
547 HA LEU 71 HA LEU 71 -10.200 -0.730 -7.017
548 1HB LEU 71 1HB LEU 71 -7.599 -0.762 -6.538
549 2HB LEU 71 2HB LEU 71 -8.097 -0.828 -4.858
550 HG LEU 71 HG LEU 71 -7.556 -2.978 -5.793
551 1HD1 LEU 71 2HD1 LEU 71 -9.235 -2.927 -4.070
552 2HD1 LEU 71 3HD1 LEU 71 -10.487 -2.961 -5.354
553 3HD1 LEU 71 1HD1 LEU 71 -9.376 -4.322 -5.151
554 1HD2 LEU 71 1HD2 LEU 71 -8.165 -2.562 -8.176
555 2HD2 LEU 71 2HD2 LEU 71 -8.757 -4.110 -7.553
556 3HD2 LEU 71 3HD2 LEU 71 -9.881 -2.757 -7.742
557 H ASP 72 H ASP 72 -9.648 1.639 -4.384
558 HA ASP 72 HA ASP 72 -11.720 0.527 -2.668
559 1HB ASP 72 1HB ASP 72 -10.089 2.232 -1.829
560 2HB ASP 72 2HB ASP 72 -10.822 3.428 -2.886
561 H ALA 73 H ALA 73 -11.639 3.172 -5.046
562 HA ALA 73 HA ALA 73 -14.316 3.874 -4.737
563 1HB ALA 73 1HB ALA 73 -12.536 5.290 -5.764
564 2HB ALA 73 2HB ALA 73 -12.610 4.275 -7.225
565 3HB ALA 73 3HB ALA 73 -14.016 5.240 -6.731
566 H ARG 74 H ARG 74 -13.026 1.407 -6.824
567 HA ARG 74 HA ARG 74 -15.523 0.835 -8.207
568 1HB ARG 74 1HB ARG 74 -14.321 -0.835 -9.292
569 2HB ARG 74 2HB ARG 74 -13.095 0.363 -8.969
570 1HG ARG 74 1HG ARG 74 -11.882 -1.349 -8.103
571 2HG ARG 74 2HG ARG 74 -12.901 -1.210 -6.705
572 1HD ARG 74 1HD ARG 74 -12.961 -3.496 -7.207
573 2HD ARG 74 2HD ARG 74 -14.486 -2.907 -7.882
574 HE ARG 74 HE ARG 74 -12.128 -2.931 -9.639
575 1HH1 ARG 74 2HH2 ARG 74 -15.156 -4.660 -8.742
576 2HH1 ARG 74 1HH2 ARG 74 -15.089 -5.669 -10.138
577 1HH2 ARG 74 2HH1 ARG 74 -12.091 -4.312 -11.458
578 2HH2 ARG 74 1HH1 ARG 74 -13.364 -5.493 -11.651
579 H GLY 75 H GLY 75 -14.412 0.193 -5.037
580 1HA GLY 75 1HA GLY 75 -15.338 -0.958 -3.311
581 2HA GLY 75 2HA GLY 75 -16.616 -1.552 -4.377
582 H GLY 76 H GLY 76 -12.946 -1.999 -4.693
583 1HA GLY 76 1HA GLY 76 -13.446 -4.918 -4.278
584 2HA GLY 76 2HA GLY 76 -12.177 -4.245 -5.283
585 H LEU 77 H LEU 77 -11.720 -2.017 -3.144
586 HA LEU 77 HA LEU 77 -9.858 -3.489 -1.449
587 1HB LEU 77 1HB LEU 77 -9.620 -1.055 -2.203
588 2HB LEU 77 2HB LEU 77 -10.882 -0.625 -1.067
589 HG LEU 77 HG LEU 77 -8.124 -1.620 -0.491
590 1HD1 LEU 77 2HD1 LEU 77 -8.514 0.785 -0.948
591 2HD1 LEU 77 3HD1 LEU 77 -9.698 0.842 0.374
592 3HD1 LEU 77 1HD1 LEU 77 -7.987 0.524 0.726
593 1HD2 LEU 77 3HD2 LEU 77 -10.307 -1.305 1.608
594 2HD2 LEU 77 1HD2 LEU 77 -9.390 -2.785 1.227
595 3HD2 LEU 77 2HD2 LEU 77 -8.561 -1.429 1.934
596 H ASP 78 H ASP 78 -12.875 -1.699 -0.976
597 HA ASP 78 HA ASP 78 -13.301 -2.026 1.692
598 1HB ASP 78 1HB ASP 78 -14.638 -0.568 0.360
599 2HB ASP 78 2HB ASP 78 -15.316 -1.894 -0.577
600 HA PRO 79 HA PRO 79 -15.608 -6.242 1.248
601 1HB PRO 79 1HB PRO 79 -15.068 -7.797 -1.004
602 2HB PRO 79 2HB PRO 79 -16.500 -6.756 -0.771
603 1HG PRO 79 1HG PRO 79 -13.887 -6.162 -2.182
604 2HG PRO 79 2HG PRO 79 -15.555 -5.853 -2.763
605 1HD PRO 79 1HD PRO 79 -14.121 -3.872 -1.670
606 2HD PRO 79 2HD PRO 79 -15.839 -4.052 -1.225
607 H LEU 80 H LEU 80 -12.339 -5.592 0.819
608 HA LEU 80 HA LEU 80 -11.545 -8.303 1.747
609 1HB LEU 80 1HB LEU 80 -9.823 -6.273 0.319
610 2HB LEU 80 2HB LEU 80 -9.325 -7.852 0.944
611 HG LEU 80 HG LEU 80 -11.227 -7.348 -1.367
612 1HD1 LEU 80 1HD1 LEU 80 -8.833 -7.004 -1.852
613 2HD1 LEU 80 2HD1 LEU 80 -8.447 -8.610 -1.197
614 3HD1 LEU 80 3HD1 LEU 80 -9.430 -8.455 -2.672
615 1HD2 LEU 80 3HD2 LEU 80 -10.334 -10.025 -0.212
616 2HD2 LEU 80 1HD2 LEU 80 -11.982 -9.360 -0.162
617 3HD2 LEU 80 2HD2 LEU 80 -11.284 -9.761 -1.706
618 H LEU 81 H LEU 81 -12.229 -5.240 2.862
619 HA LEU 81 HA LEU 81 -10.150 -5.016 4.844
620 1HB LEU 81 1HB LEU 81 -11.580 -3.171 3.928
621 2HB LEU 81 2HB LEU 81 -12.942 -3.802 4.825
622 HG LEU 81 HG LEU 81 -11.440 -1.776 5.626
623 1HD1 LEU 81 1HD1 LEU 81 -12.616 -3.803 7.532
624 2HD1 LEU 81 2HD1 LEU 81 -12.104 -2.158 7.974
625 3HD1 LEU 81 3HD1 LEU 81 -13.394 -2.396 6.797
626 1HD2 LEU 81 3HD2 LEU 81 -9.298 -3.069 5.752
627 2HD2 LEU 81 1HD2 LEU 81 -9.753 -2.211 7.236
628 3HD2 LEU 81 2HD2 LEU 81 -9.962 -3.953 7.138
629 H LYS 82 H LYS 82 -12.684 -7.318 4.510
630 HA LYS 82 HA LYS 82 -13.163 -7.922 7.242
631 1HB LYS 82 1HB LYS 82 -13.665 -10.196 6.204
632 2HB LYS 82 2HB LYS 82 -14.675 -8.844 5.745
633 1HG LYS 82 1HG LYS 82 -14.254 -10.247 3.849
634 2HG LYS 82 2HG LYS 82 -13.538 -8.674 3.592
635 1HD LYS 82 1HD LYS 82 -11.322 -9.483 3.853
636 2HD LYS 82 2HD LYS 82 -11.850 -11.003 4.586
637 1HE LYS 82 1HE LYS 82 -12.622 -10.196 1.757
638 2HE LYS 82 2HE LYS 82 -11.081 -11.011 2.103
639 1HZ LYS 82 2HZ LYS 82 -13.678 -12.143 2.939
640 2HZ LYS 82 3HZ LYS 82 -12.986 -12.502 1.497
641 3HZ LYS 82 1HZ LYS 82 -12.211 -12.874 2.902
642 1HB2 GTT 83 1HB2 GTT 83 8.392 6.697 -3.438
643 2HB2 GTT 83 2HB2 GTT 83 9.653 7.940 -3.461
644 HA2 GTT 83 HA2 GTT 83 9.414 8.174 -5.895
645 HN2 GTT 83 HN2 GTT 83 6.923 6.670 -5.381
646 1HG1 GTT 83 1HG1 GTT 83 5.378 7.709 -7.015
647 2HG1 GTT 83 2HG1 GTT 83 5.597 6.081 -7.683
648 1HB1 GTT 83 1HB1 GTT 83 5.976 6.968 -9.893
649 2HB1 GTT 83 2HB1 GTT 83 6.394 8.556 -9.242
650 HA1 GTT 83 HA1 GTT 83 3.990 8.773 -8.438
651 1HN1 GTT 83 1HN1 GTT 83 2.395 7.590 -9.613
652 2HN1 GTT 83 2HN1 GTT 83 3.490 6.767 -10.495
653 3HN1 GTT 83 3HN1 GTT 83 3.344 6.432 -8.881
654 HN3 GTT 83 HN3 GTT 83 11.537 6.999 -5.082
655 1HA3 GTT 83 1HA3 GTT 83 11.318 4.031 -5.361
656 2HA3 GTT 83 2HA3 GTT 83 12.534 4.951 -6.267
No H/Q in entry = 656
Start of MODEL 7
1 1H ALA 1 3H ALA 1 -8.454 -10.702 6.873
2 2H ALA 1 1H ALA 1 -9.501 -10.124 5.737
3 3H ALA 1 2H ALA 1 -8.047 -10.748 5.272
4 HA ALA 1 HA ALA 1 -7.961 -8.447 5.089
5 1HB ALA 1 1HB ALA 1 -9.698 -7.932 6.786
6 2HB ALA 1 2HB ALA 1 -8.576 -8.397 8.063
7 3HB ALA 1 3HB ALA 1 -8.206 -6.996 7.051
8 H ASN 2 H ASN 2 -5.849 -8.376 4.690
9 HA ASN 2 HA ASN 2 -3.884 -8.306 6.880
10 1HB ASN 2 1HB ASN 2 -3.842 -10.618 5.968
11 2HB ASN 2 2HB ASN 2 -3.563 -10.004 4.350
12 1HD2 ASN 2 2HD2 ASN 2 -0.139 -8.939 5.108
13 2HD2 ASN 2 1HD2 ASN 2 -1.574 -8.420 4.223
14 H VAL 3 H VAL 3 -4.218 -6.004 6.454
15 HA VAL 3 HA VAL 3 -4.031 -5.050 3.696
16 HB VAL 3 HB VAL 3 -4.756 -3.510 6.222
17 1HG1 VAL 3 2HG1 VAL 3 -4.360 -2.272 4.080
18 2HG1 VAL 3 3HG1 VAL 3 -5.675 -3.215 3.336
19 3HG1 VAL 3 1HG1 VAL 3 -6.019 -2.105 4.685
20 1HG2 VAL 3 1HG2 VAL 3 -6.718 -5.171 4.611
21 2HG2 VAL 3 2HG2 VAL 3 -6.259 -5.429 6.313
22 3HG2 VAL 3 3HG2 VAL 3 -7.104 -3.973 5.879
23 H GLU 4 H GLU 4 -1.975 -4.464 3.095
24 HA GLU 4 HA GLU 4 -0.059 -3.425 5.130
25 1HB GLU 4 1HB GLU 4 0.147 -5.534 2.989
26 2HB GLU 4 2HB GLU 4 1.578 -4.614 3.458
27 1HG GLU 4 1HG GLU 4 1.358 -5.379 5.770
28 2HG GLU 4 2HG GLU 4 -0.170 -6.185 5.392
29 H ILE 5 H ILE 5 1.238 -1.689 4.291
30 HA ILE 5 HA ILE 5 1.249 -1.214 1.426
31 HB ILE 5 HB ILE 5 -0.620 0.132 1.822
32 1HG1 ILE 5 1HG1 ILE 5 1.850 1.915 1.811
33 2HG1 ILE 5 2HG1 ILE 5 1.174 1.106 0.421
34 1HG2 ILE 5 3HG2 ILE 5 -0.548 0.279 4.287
35 2HG2 ILE 5 1HG2 ILE 5 0.759 1.474 4.160
36 3HG2 ILE 5 2HG2 ILE 5 -0.866 1.837 3.542
37 1HD1 ILE 5 3HD1 ILE 5 -0.957 2.476 0.808
38 2HD1 ILE 5 1HD1 ILE 5 -0.035 3.389 2.027
39 3HD1 ILE 5 2HD1 ILE 5 0.499 3.385 0.341
40 H TYR 6 H TYR 6 3.286 -0.975 0.884
41 HA TYR 6 HA TYR 6 5.358 -0.303 2.869
42 1HB TYR 6 1HB TYR 6 5.325 -0.963 -0.090
43 2HB TYR 6 2HB TYR 6 6.732 -0.249 0.672
44 HD1 TYR 6 HD2 TYR 6 4.452 -3.234 0.964
45 HD2 TYR 6 HD1 TYR 6 8.286 -1.484 1.790
46 HE1 TYR 6 HE2 TYR 6 5.313 -5.443 1.591
47 HE2 TYR 6 HE1 TYR 6 9.201 -3.683 2.402
48 HH TYR 6 HH TYR 6 7.271 -6.652 2.680
49 H THR 7 H THR 7 6.257 1.696 3.133
50 HA THR 7 HA THR 7 5.571 3.846 1.235
51 HB THR 7 HB THR 7 4.921 5.265 3.135
52 HG1 THR 7 HG1 THR 7 4.608 4.299 5.181
53 1HG2 THR 7 1HG2 THR 7 3.119 3.884 1.980
54 2HG2 THR 7 2HG2 THR 7 3.245 2.751 3.336
55 3HG2 THR 7 3HG2 THR 7 2.738 4.420 3.624
56 H LYS 8 H LYS 8 6.827 5.916 1.955
57 HA LYS 8 HA LYS 8 9.163 5.344 3.545
58 1HB LYS 8 1HB LYS 8 10.811 6.238 2.040
59 2HB LYS 8 2HB LYS 8 10.017 4.867 1.275
60 1HG LYS 8 1HG LYS 8 8.698 6.378 -0.158
61 2HG LYS 8 2HG LYS 8 9.289 7.780 0.728
62 1HD LYS 8 1HD LYS 8 10.476 7.618 -1.363
63 2HD LYS 8 2HD LYS 8 11.556 7.396 0.002
64 1HE LYS 8 1HE LYS 8 11.395 4.870 -0.409
65 2HE LYS 8 2HE LYS 8 10.491 5.248 -1.894
66 1HZ LYS 8 2HZ LYS 8 12.425 6.561 -2.597
67 2HZ LYS 8 3HZ LYS 8 13.245 6.121 -1.259
68 3HZ LYS 8 1HZ LYS 8 12.836 5.001 -2.403
69 H GLU 9 H GLU 9 10.336 7.579 3.880
70 HA GLU 9 HA GLU 9 8.500 9.407 4.958
71 1HB GLU 9 1HB GLU 9 10.832 9.018 5.777
72 2HB GLU 9 2HB GLU 9 11.456 9.749 4.300
73 1HG GLU 9 1HG GLU 9 9.900 11.799 5.066
74 2HG GLU 9 2HG GLU 9 10.051 11.039 6.647
75 H THR 10 H THR 10 10.951 10.150 2.398
76 HA THR 10 HA THR 10 9.403 12.379 1.414
77 HB THR 10 HB THR 10 11.349 12.533 -0.159
78 HG1 THR 10 HG1 THR 10 11.717 10.266 -0.130
79 1HG2 THR 10 3HG2 THR 10 11.453 13.634 2.086
80 2HG2 THR 10 1HG2 THR 10 12.223 12.177 2.750
81 3HG2 THR 10 2HG2 THR 10 13.043 13.123 1.495
82 H CYS 11 H CYS 11 7.438 11.314 0.737
83 HA CYS 11 HA CYS 11 7.559 10.740 -2.050
84 1HB CYS 11 1HB CYS 11 8.188 8.481 -1.232
85 2HB CYS 11 2HB CYS 11 6.684 8.391 -0.330
86 HA PRO 12 HA PRO 12 3.768 12.630 -0.293
87 1HB PRO 12 1HB PRO 12 2.988 14.112 -2.414
88 2HB PRO 12 2HB PRO 12 4.224 14.651 -1.235
89 1HG PRO 12 1HG PRO 12 4.674 13.368 -3.948
90 2HG PRO 12 2HG PRO 12 5.504 14.799 -3.250
91 1HD PRO 12 1HD PRO 12 6.629 12.326 -3.132
92 2HD PRO 12 2HD PRO 12 6.749 13.454 -1.753
93 H TYR 13 H TYR 13 4.072 11.018 -3.513
94 HA TYR 13 HA TYR 13 1.312 10.327 -3.786
95 1HB TYR 13 1HB TYR 13 3.340 10.178 -5.445
96 2HB TYR 13 2HB TYR 13 3.703 8.640 -4.680
97 HD1 TYR 13 HD2 TYR 13 0.672 10.473 -6.000
98 HD2 TYR 13 HD1 TYR 13 3.013 6.838 -6.095
99 HE1 TYR 13 HE2 TYR 13 -0.850 9.520 -7.672
100 HE2 TYR 13 HE1 TYR 13 1.468 5.909 -7.803
101 HH TYR 13 HH TYR 13 -1.327 7.760 -9.074
102 H SER 14 H SER 14 3.993 8.700 -2.040
103 HA SER 14 HA SER 14 2.342 6.488 -1.188
104 1HB SER 14 1HB SER 14 4.863 6.492 -1.200
105 2HB SER 14 2HB SER 14 4.804 7.612 0.191
106 HG SER 14 HG SER 14 3.459 5.892 1.160
107 H HIS 15 H HIS 15 2.987 9.815 0.101
108 HA HIS 15 HA HIS 15 1.635 9.199 2.578
109 1HB HIS 15 1HB HIS 15 2.721 11.688 1.333
110 2HB HIS 15 2HB HIS 15 1.556 11.835 2.621
111 HD1 HIS 15 HD1 HIS 15 2.375 11.165 5.116
112 HD2 HIS 15 HD2 HIS 15 5.201 10.687 1.982
113 HE1 HIS 15 HE1 HIS 15 4.676 10.760 6.199
114 HE2 HIS 15 HE2 HIS 15 6.365 10.583 4.295
115 H ARG 16 H ARG 16 0.576 10.545 -0.492
116 HA ARG 16 HA ARG 16 -2.083 11.217 0.071
117 1HB ARG 16 1HB ARG 16 -0.437 10.453 -2.286
118 2HB ARG 16 2HB ARG 16 -2.100 10.017 -2.459
119 1HG ARG 16 1HG ARG 16 -2.785 12.367 -2.011
120 2HG ARG 16 2HG ARG 16 -1.076 12.808 -1.810
121 1HD ARG 16 1HD ARG 16 -0.612 12.090 -4.140
122 2HD ARG 16 2HD ARG 16 -2.316 11.643 -4.342
123 HE ARG 16 HE ARG 16 -2.133 14.349 -3.508
124 1HH1 ARG 16 2HH2 ARG 16 -2.003 12.326 -6.482
125 2HH1 ARG 16 1HH2 ARG 16 -1.851 13.690 -7.509
126 1HH2 ARG 16 2HH1 ARG 16 -2.366 16.091 -5.005
127 2HH2 ARG 16 1HH1 ARG 16 -2.360 15.775 -6.706
128 H ALA 17 H ALA 17 -0.692 7.949 -0.579
129 HA ALA 17 HA ALA 17 -3.174 6.608 -0.496
130 1HB ALA 17 1HB ALA 17 -0.969 5.631 -1.239
131 2HB ALA 17 2HB ALA 17 -0.526 5.508 0.476
132 3HB ALA 17 3HB ALA 17 -1.909 4.585 -0.151
133 H LYS 18 H LYS 18 -1.432 7.849 2.235
134 HA LYS 18 HA LYS 18 -3.092 6.284 4.121
135 1HB LYS 18 1HB LYS 18 -1.229 8.598 4.792
136 2HB LYS 18 2HB LYS 18 -2.086 7.529 5.908
137 1HG LYS 18 1HG LYS 18 -0.146 6.329 5.884
138 2HG LYS 18 2HG LYS 18 -0.863 5.611 4.461
139 1HD LYS 18 1HD LYS 18 1.238 6.176 3.628
140 2HD LYS 18 2HD LYS 18 0.283 7.547 3.143
141 1HE LYS 18 1HE LYS 18 2.464 8.250 4.077
142 2HE LYS 18 2HE LYS 18 1.102 8.911 5.007
143 1HZ LYS 18 2HZ LYS 18 2.702 6.537 5.789
144 2HZ LYS 18 3HZ LYS 18 2.986 8.007 6.352
145 3HZ LYS 18 1HZ LYS 18 1.562 7.252 6.702
146 H ALA 19 H ALA 19 -2.979 9.635 2.784
147 HA ALA 19 HA ALA 19 -5.210 10.563 4.301
148 1HB ALA 19 1HB ALA 19 -3.778 12.072 2.942
149 2HB ALA 19 2HB ALA 19 -4.410 11.335 1.452
150 3HB ALA 19 3HB ALA 19 -5.488 12.242 2.527
151 H LEU 20 H LEU 20 -5.076 8.502 1.417
152 HA LEU 20 HA LEU 20 -7.947 8.518 1.019
153 1HB LEU 20 1HB LEU 20 -6.437 7.959 -0.731
154 2HB LEU 20 2HB LEU 20 -5.686 6.649 0.165
155 HG LEU 20 HG LEU 20 -7.227 6.204 -1.848
156 1HD1 LEU 20 1HD1 LEU 20 -6.307 4.407 -0.497
157 2HD1 LEU 20 2HD1 LEU 20 -7.754 4.465 0.550
158 3HD1 LEU 20 3HD1 LEU 20 -7.901 4.057 -1.167
159 1HD2 LEU 20 1HD2 LEU 20 -9.158 7.540 -0.952
160 2HD2 LEU 20 2HD2 LEU 20 -9.542 5.878 -1.464
161 3HD2 LEU 20 3HD2 LEU 20 -9.382 6.258 0.264
162 H LEU 21 H LEU 21 -5.838 5.964 2.396
163 HA LEU 21 HA LEU 21 -8.027 4.392 3.235
164 1HB LEU 21 1HB LEU 21 -5.119 4.617 4.119
165 2HB LEU 21 2HB LEU 21 -6.192 3.469 4.910
166 HG LEU 21 HG LEU 21 -6.036 3.495 1.885
167 1HD1 LEU 21 1HD1 LEU 21 -4.065 2.112 3.721
168 2HD1 LEU 21 2HD1 LEU 21 -4.250 1.810 1.976
169 3HD1 LEU 21 3HD1 LEU 21 -3.727 3.403 2.540
170 1HD2 LEU 21 2HD2 LEU 21 -7.779 2.123 3.013
171 2HD2 LEU 21 3HD2 LEU 21 -6.607 1.131 2.148
172 3HD2 LEU 21 1HD2 LEU 21 -6.506 1.262 3.911
173 H SER 22 H SER 22 -6.247 6.906 5.131
174 HA SER 22 HA SER 22 -7.882 6.491 7.455
175 1HB SER 22 1HB SER 22 -6.180 8.874 6.652
176 2HB SER 22 2HB SER 22 -6.775 8.484 8.279
177 HG SER 22 HG SER 22 -5.632 6.419 7.989
178 H SER 23 H SER 23 -8.325 8.631 4.481
179 HA SER 23 HA SER 23 -10.504 10.057 5.682
180 1HB SER 23 1HB SER 23 -9.427 10.732 3.588
181 2HB SER 23 2HB SER 23 -10.057 9.280 2.772
182 HG SER 23 HG SER 23 -11.325 11.056 2.354
183 H LYS 24 H LYS 24 -10.260 6.814 4.119
184 HA LYS 24 HA LYS 24 -13.137 6.362 4.565
185 1HB LYS 24 1HB LYS 24 -11.100 4.425 3.442
186 2HB LYS 24 2HB LYS 24 -12.865 4.361 3.326
187 1HG LYS 24 1HG LYS 24 -12.355 6.855 2.256
188 2HG LYS 24 2HG LYS 24 -10.891 6.005 1.819
189 1HD LYS 24 1HD LYS 24 -12.238 4.306 0.629
190 2HD LYS 24 2HD LYS 24 -13.724 5.186 1.077
191 1HE LYS 24 1HE LYS 24 -12.586 7.268 -0.007
192 2HE LYS 24 2HE LYS 24 -11.420 6.113 -0.664
193 1HZ LYS 24 3HZ LYS 24 -13.477 4.944 -1.557
194 2HZ LYS 24 1HZ LYS 24 -14.250 6.391 -1.411
195 3HZ LYS 24 2HZ LYS 24 -12.896 6.240 -2.331
196 H GLY 25 H GLY 25 -10.738 6.476 6.675
197 1HA GLY 25 1HA GLY 25 -10.323 5.690 8.729
198 2HA GLY 25 2HA GLY 25 -12.030 5.244 8.771
199 H VAL 26 H VAL 26 -9.382 3.850 6.735
200 HA VAL 26 HA VAL 26 -10.107 1.173 7.791
201 HB VAL 26 HB VAL 26 -8.160 1.640 5.540
202 1HG1 VAL 26 3HG1 VAL 26 -8.528 -0.676 6.354
203 2HG1 VAL 26 1HG1 VAL 26 -10.268 -0.508 6.048
204 3HG1 VAL 26 2HG1 VAL 26 -9.110 -0.468 4.703
205 1HG2 VAL 26 2HG2 VAL 26 -11.183 1.735 5.207
206 2HG2 VAL 26 3HG2 VAL 26 -10.009 3.003 4.784
207 3HG2 VAL 26 1HG2 VAL 26 -10.019 1.495 3.885
208 H SER 27 H SER 27 -8.587 -0.198 8.670
209 HA SER 27 HA SER 27 -6.115 0.820 9.856
210 1HB SER 27 1HB SER 27 -7.315 -1.990 9.666
211 2HB SER 27 2HB SER 27 -5.986 -1.505 10.725
212 HG SER 27 HG SER 27 -8.034 -1.605 11.758
213 H PHE 28 H PHE 28 -3.991 -0.135 9.321
214 HA PHE 28 HA PHE 28 -3.627 -2.036 7.248
215 1HB PHE 28 1HB PHE 28 -2.460 -0.554 5.600
216 2HB PHE 28 2HB PHE 28 -4.169 -0.228 5.689
217 HD1 PHE 28 HD2 PHE 28 -0.803 1.155 6.484
218 HD2 PHE 28 HD1 PHE 28 -5.057 1.883 6.515
219 HE1 PHE 28 HE2 PHE 28 -0.399 3.583 6.838
220 HE2 PHE 28 HE1 PHE 28 -4.636 4.296 6.847
221 HZ PHE 28 HZ PHE 28 -2.314 5.152 7.025
222 H GLN 29 H GLN 29 -1.468 -2.657 7.167
223 HA GLN 29 HA GLN 29 0.346 -1.899 9.334
224 1HB GLN 29 1HB GLN 29 -0.213 -4.318 7.655
225 2HB GLN 29 2HB GLN 29 1.481 -3.919 7.749
226 1HG GLN 29 1HG GLN 29 0.836 -5.472 9.531
227 2HG GLN 29 2HG GLN 29 1.396 -3.947 10.204
228 1HE2 GLN 29 2HE2 GLN 29 -1.561 -3.604 12.145
229 2HE2 GLN 29 1HE2 GLN 29 0.126 -3.236 11.892
230 H GLU 30 H GLU 30 0.956 0.018 8.625
231 HA GLU 30 HA GLU 30 2.042 0.496 5.941
232 1HB GLU 30 1HB GLU 30 1.454 2.214 8.081
233 2HB GLU 30 2HB GLU 30 3.239 2.123 8.068
234 1HG GLU 30 1HG GLU 30 3.214 2.586 5.637
235 2HG GLU 30 2HG GLU 30 1.470 2.844 5.710
236 H LEU 31 H LEU 31 4.124 0.061 5.273
237 HA LEU 31 HA LEU 31 6.077 -1.070 7.219
238 1HB LEU 31 1HB LEU 31 5.951 -1.817 4.278
239 2HB LEU 31 2HB LEU 31 7.046 -2.405 5.492
240 HG LEU 31 HG LEU 31 5.656 -4.146 5.169
241 1HD1 LEU 31 1HD1 LEU 31 5.762 -3.627 7.600
242 2HD1 LEU 31 2HD1 LEU 31 4.162 -2.867 7.465
243 3HD1 LEU 31 3HD1 LEU 31 4.354 -4.590 7.115
244 1HD2 LEU 31 1HD2 LEU 31 3.306 -2.291 4.980
245 2HD2 LEU 31 2HD2 LEU 31 4.057 -3.233 3.691
246 3HD2 LEU 31 3HD2 LEU 31 3.191 -4.061 4.996
247 HA PRO 32 HA PRO 32 8.003 2.801 5.584
248 1HB PRO 32 1HB PRO 32 9.474 2.385 8.190
249 2HB PRO 32 2HB PRO 32 8.912 3.904 7.433
250 1HG PRO 32 1HG PRO 32 7.532 2.803 9.488
251 2HG PRO 32 2HG PRO 32 6.652 3.472 8.073
252 1HD PRO 32 1HD PRO 32 7.342 0.578 8.654
253 2HD PRO 32 2HD PRO 32 5.798 1.294 8.100
254 H ILE 33 H ILE 33 9.344 2.229 3.988
255 HA ILE 33 HA ILE 33 11.765 0.555 4.530
256 HB ILE 33 HB ILE 33 12.092 0.848 2.029
257 1HG1 ILE 33 1HG1 ILE 33 9.113 1.021 1.699
258 2HG1 ILE 33 2HG1 ILE 33 10.036 2.496 1.926
259 1HG2 ILE 33 2HG2 ILE 33 9.909 -0.870 3.202
260 2HG2 ILE 33 3HG2 ILE 33 10.599 -1.109 1.562
261 3HG2 ILE 33 1HG2 ILE 33 11.636 -1.255 2.986
262 1HD1 ILE 33 2HD1 ILE 33 11.491 2.013 0.055
263 2HD1 ILE 33 3HD1 ILE 33 10.597 0.489 -0.260
264 3HD1 ILE 33 1HD1 ILE 33 9.820 2.076 -0.436
265 H ASP 34 H ASP 34 10.899 3.633 4.992
266 HA ASP 34 HA ASP 34 12.740 5.116 3.519
267 1HB ASP 34 1HB ASP 34 12.304 6.933 5.117
268 2HB ASP 34 2HB ASP 34 10.841 6.101 4.649
269 H GLY 35 H GLY 35 13.132 3.594 6.667
270 1HA GLY 35 1HA GLY 35 16.105 3.930 6.478
271 2HA GLY 35 2HA GLY 35 15.188 3.824 7.987
272 H ASN 36 H ASN 36 14.352 1.712 5.237
273 HA ASN 36 HA ASN 36 15.643 -0.584 6.554
274 1HB ASN 36 1HB ASN 36 13.720 -1.200 7.394
275 2HB ASN 36 2HB ASN 36 12.824 0.044 6.570
276 1HD2 ASN 36 2HD2 ASN 36 11.057 -2.424 4.870
277 2HD2 ASN 36 1HD2 ASN 36 11.039 -1.042 5.953
278 H ALA 37 H ALA 37 16.680 -1.827 5.245
279 HA ALA 37 HA ALA 37 16.158 -1.558 2.320
280 1HB ALA 37 1HB ALA 37 18.401 -0.764 3.254
281 2HB ALA 37 2HB ALA 37 18.743 -2.472 3.592
282 3HB ALA 37 3HB ALA 37 18.453 -1.945 1.924
283 H ALA 38 H ALA 38 16.429 -3.805 4.965
284 HA ALA 38 HA ALA 38 16.939 -6.113 3.281
285 1HB ALA 38 1HB ALA 38 17.590 -5.986 5.683
286 2HB ALA 38 2HB ALA 38 15.870 -6.117 6.131
287 3HB ALA 38 3HB ALA 38 16.677 -7.444 5.277
288 H LYS 39 H LYS 39 14.011 -4.933 4.964
289 HA LYS 39 HA LYS 39 12.260 -6.892 3.688
290 1HB LYS 39 1HB LYS 39 11.846 -5.808 5.924
291 2HB LYS 39 2HB LYS 39 11.608 -4.287 5.075
292 1HG LYS 39 1HG LYS 39 9.819 -5.591 3.717
293 2HG LYS 39 2HG LYS 39 9.849 -6.723 5.064
294 1HD LYS 39 1HD LYS 39 9.276 -3.704 5.236
295 2HD LYS 39 2HD LYS 39 8.083 -4.997 5.223
296 1HE LYS 39 1HE LYS 39 8.208 -4.635 7.456
297 2HE LYS 39 2HE LYS 39 9.367 -5.951 7.261
298 1HZ LYS 39 1HZ LYS 39 11.155 -4.246 7.420
299 2HZ LYS 39 2HZ LYS 39 9.988 -3.077 7.663
300 3HZ LYS 39 3HZ LYS 39 10.190 -4.292 8.712
301 H ARG 40 H ARG 40 13.360 -3.523 2.982
302 HA ARG 40 HA ARG 40 11.732 -3.168 0.683
303 1HB ARG 40 1HB ARG 40 13.301 -1.406 1.522
304 2HB ARG 40 2HB ARG 40 14.660 -2.317 0.870
305 1HG ARG 40 1HG ARG 40 14.049 -1.957 -1.362
306 2HG ARG 40 2HG ARG 40 12.353 -1.689 -0.955
307 1HD ARG 40 1HD ARG 40 13.217 0.343 -1.680
308 2HD ARG 40 2HD ARG 40 12.901 0.476 0.046
309 HE ARG 40 HE ARG 40 15.428 0.025 0.298
310 1HH1 ARG 40 2HH2 ARG 40 13.892 1.986 -2.238
311 2HH1 ARG 40 1HH2 ARG 40 15.262 2.954 -2.561
312 1HH2 ARG 40 2HH1 ARG 40 17.232 1.432 0.028
313 2HH2 ARG 40 1HH1 ARG 40 17.276 2.539 -1.303
314 H GLU 41 H GLU 41 14.784 -5.045 0.974
315 HA GLU 41 HA GLU 41 14.933 -5.708 -1.738
316 1HB GLU 41 1HB GLU 41 16.504 -6.090 0.423
317 2HB GLU 41 2HB GLU 41 15.893 -7.728 0.271
318 1HG GLU 41 1HG GLU 41 17.024 -8.077 -1.733
319 2HG GLU 41 2HG GLU 41 16.891 -6.387 -2.239
320 H GLU 42 H GLU 42 13.111 -7.337 0.894
321 HA GLU 42 HA GLU 42 12.054 -9.445 -0.758
322 1HB GLU 42 1HB GLU 42 11.935 -9.595 1.651
323 2HB GLU 42 2HB GLU 42 10.981 -8.111 1.767
324 1HG GLU 42 1HG GLU 42 9.113 -9.151 0.609
325 2HG GLU 42 2HG GLU 42 10.069 -10.608 0.289
326 H MET 43 H MET 43 11.002 -6.090 -0.104
327 HA MET 43 HA MET 43 8.563 -6.183 -1.486
328 1HB MET 43 1HB MET 43 9.591 -4.252 -0.068
329 2HB MET 43 2HB MET 43 10.329 -3.742 -1.588
330 1HG MET 43 1HG MET 43 7.911 -3.884 -2.567
331 2HG MET 43 2HG MET 43 7.399 -3.936 -0.888
332 1HE MET 43 2HE MET 43 8.873 -1.886 -3.829
333 2HE MET 43 3HE MET 43 9.368 -0.356 -3.071
334 3HE MET 43 1HE MET 43 10.299 -1.832 -2.760
335 H ILE 44 H ILE 44 11.863 -6.183 -2.866
336 HA ILE 44 HA ILE 44 11.196 -5.283 -5.494
337 HB ILE 44 HB ILE 44 13.271 -7.359 -4.664
338 1HG1 ILE 44 1HG1 ILE 44 13.563 -4.344 -4.956
339 2HG1 ILE 44 2HG1 ILE 44 13.546 -5.204 -3.435
340 1HG2 ILE 44 3HG2 ILE 44 12.781 -7.306 -7.111
341 2HG2 ILE 44 1HG2 ILE 44 13.134 -5.563 -7.123
342 3HG2 ILE 44 2HG2 ILE 44 14.409 -6.752 -6.760
343 1HD1 ILE 44 1HD1 ILE 44 15.594 -6.446 -4.149
344 2HD1 ILE 44 2HD1 ILE 44 15.702 -5.357 -5.554
345 3HD1 ILE 44 3HD1 ILE 44 15.808 -4.696 -3.916
346 H LYS 45 H LYS 45 11.276 -8.577 -4.039
347 HA LYS 45 HA LYS 45 10.139 -9.923 -6.321
348 1HB LYS 45 1HB LYS 45 10.151 -10.667 -3.370
349 2HB LYS 45 2HB LYS 45 9.620 -11.725 -4.683
350 1HG LYS 45 1HG LYS 45 11.928 -11.604 -5.665
351 2HG LYS 45 2HG LYS 45 12.432 -10.623 -4.268
352 1HD LYS 45 1HD LYS 45 11.667 -12.506 -2.753
353 2HD LYS 45 2HD LYS 45 11.298 -13.457 -4.191
354 1HE LYS 45 1HE LYS 45 13.418 -14.177 -3.363
355 2HE LYS 45 2HE LYS 45 13.706 -13.312 -4.883
356 1HZ LYS 45 2HZ LYS 45 13.996 -12.090 -2.200
357 2HZ LYS 45 3HZ LYS 45 15.234 -12.764 -3.011
358 3HZ LYS 45 1HZ LYS 45 14.504 -11.443 -3.646
359 H ARG 46 H ARG 46 8.662 -8.802 -3.222
360 HA ARG 46 HA ARG 46 6.089 -9.760 -3.869
361 1HB ARG 46 1HB ARG 46 6.772 -7.413 -2.037
362 2HB ARG 46 2HB ARG 46 5.201 -8.209 -2.163
363 1HG ARG 46 1HG ARG 46 6.268 -10.374 -1.525
364 2HG ARG 46 2HG ARG 46 7.765 -9.481 -1.221
365 1HD ARG 46 1HD ARG 46 6.681 -9.795 0.881
366 2HD ARG 46 2HD ARG 46 6.506 -8.087 0.454
367 HE ARG 46 HE ARG 46 4.285 -9.856 -0.337
368 1HH1 ARG 46 2HH2 ARG 46 5.516 -7.992 2.455
369 2HH1 ARG 46 1HH2 ARG 46 3.884 -7.537 2.937
370 1HH2 ARG 46 2HH1 ARG 46 2.219 -9.604 0.857
371 2HH2 ARG 46 1HH1 ARG 46 2.181 -8.338 2.080
372 H SER 47 H SER 47 7.501 -6.561 -4.593
373 HA SER 47 HA SER 47 4.894 -5.682 -5.684
374 1HB SER 47 1HB SER 47 5.887 -3.521 -5.944
375 2HB SER 47 2HB SER 47 6.232 -4.136 -4.322
376 HG SER 47 HG SER 47 8.323 -4.613 -4.974
377 H GLY 48 H GLY 48 7.982 -6.902 -6.955
378 1HA GLY 48 1HA GLY 48 8.779 -7.109 -9.057
379 2HA GLY 48 2HA GLY 48 7.109 -7.046 -9.659
380 H ARG 49 H ARG 49 8.528 -4.440 -7.697
381 HA ARG 49 HA ARG 49 8.640 -2.661 -10.075
382 1HB ARG 49 1HB ARG 49 6.461 -2.776 -8.077
383 2HB ARG 49 2HB ARG 49 7.163 -1.169 -8.233
384 1HG ARG 49 1HG ARG 49 6.755 -1.115 -10.603
385 2HG ARG 49 2HG ARG 49 6.315 -2.829 -10.650
386 1HD ARG 49 1HD ARG 49 4.246 -2.470 -9.540
387 2HD ARG 49 2HD ARG 49 4.718 -0.851 -9.015
388 HE ARG 49 HE ARG 49 4.383 0.029 -11.132
389 1HH1 ARG 49 2HH2 ARG 49 3.605 -3.465 -11.258
390 2HH1 ARG 49 1HH2 ARG 49 2.702 -3.329 -12.700
391 1HH2 ARG 49 2HH1 ARG 49 3.054 0.213 -12.924
392 2HH2 ARG 49 1HH1 ARG 49 2.387 -1.164 -13.706
393 H THR 50 H THR 50 9.056 -2.671 -6.509
394 HA THR 50 HA THR 50 10.789 -2.003 -5.236
395 HB THR 50 HB THR 50 12.126 -2.536 -7.461
396 HG1 THR 50 HG1 THR 50 13.286 -1.297 -5.207
397 1HG2 THR 50 1HG2 THR 50 12.037 -0.036 -8.030
398 2HG2 THR 50 2HG2 THR 50 13.049 0.213 -6.606
399 3HG2 THR 50 3HG2 THR 50 13.630 -0.821 -7.955
400 H THR 51 H THR 51 9.113 0.198 -7.273
401 HA THR 51 HA THR 51 9.898 2.561 -5.703
402 HB THR 51 HB THR 51 7.928 3.496 -7.137
403 HG1 THR 51 HG1 THR 51 8.565 1.540 -9.013
404 1HG2 THR 51 2HG2 THR 51 10.549 2.502 -8.378
405 2HG2 THR 51 3HG2 THR 51 9.439 3.632 -9.186
406 3HG2 THR 51 1HG2 THR 51 10.212 4.089 -7.682
407 H VAL 52 H VAL 52 8.427 3.596 -4.229
408 HA VAL 52 HA VAL 52 6.042 1.974 -3.440
409 HB VAL 52 HB VAL 52 6.152 3.526 -1.332
410 1HG1 VAL 52 3HG1 VAL 52 6.456 1.103 -1.397
411 2HG1 VAL 52 1HG1 VAL 52 8.169 1.330 -1.821
412 3HG1 VAL 52 2HG1 VAL 52 7.547 1.885 -0.238
413 1HG2 VAL 52 3HG2 VAL 52 7.942 5.033 -2.085
414 2HG2 VAL 52 1HG2 VAL 52 8.304 4.174 -0.574
415 3HG2 VAL 52 2HG2 VAL 52 9.075 3.649 -2.075
416 HA PRO 53 HA PRO 53 4.263 2.804 -1.656
417 1HB PRO 53 1HB PRO 53 1.580 2.829 -1.953
418 2HB PRO 53 2HB PRO 53 2.488 4.200 -1.255
419 1HG PRO 53 1HG PRO 53 1.484 3.867 -4.094
420 2HG PRO 53 2HG PRO 53 1.349 5.301 -3.026
421 1HD PRO 53 1HD PRO 53 3.305 5.000 -4.946
422 2HD PRO 53 2HD PRO 53 3.571 5.926 -3.439
423 H GLN 54 H GLN 54 3.312 0.705 -1.471
424 HA GLN 54 HA GLN 54 2.398 -0.695 -3.881
425 1HB GLN 54 1HB GLN 54 4.597 -1.790 -2.046
426 2HB GLN 54 2HB GLN 54 3.765 -2.697 -3.301
427 1HG GLN 54 1HG GLN 54 5.541 -0.278 -3.724
428 2HG GLN 54 2HG GLN 54 6.023 -1.937 -3.990
429 1HE2 GLN 54 2HE2 GLN 54 4.717 -0.071 -7.082
430 2HE2 GLN 54 1HE2 GLN 54 6.073 0.084 -5.971
431 H ILE 55 H ILE 55 0.328 -1.538 -3.158
432 HA ILE 55 HA ILE 55 0.037 -1.793 -0.240
433 HB ILE 55 HB ILE 55 -2.056 -1.398 -2.416
434 1HG1 ILE 55 1HG1 ILE 55 -2.368 0.846 -1.156
435 2HG1 ILE 55 2HG1 ILE 55 -0.743 0.609 -0.574
436 1HG2 ILE 55 2HG2 ILE 55 -2.863 -2.601 -0.382
437 2HG2 ILE 55 3HG2 ILE 55 -2.274 -1.267 0.624
438 3HG2 ILE 55 1HG2 ILE 55 -3.588 -1.015 -0.525
439 1HD1 ILE 55 2HD1 ILE 55 -1.484 0.685 -3.522
440 2HD1 ILE 55 3HD1 ILE 55 -1.102 2.141 -2.583
441 3HD1 ILE 55 1HD1 ILE 55 0.136 0.910 -2.814
442 H PHE 56 H PHE 56 -0.914 -3.758 0.461
443 HA PHE 56 HA PHE 56 -1.309 -5.892 -1.509
444 1HB PHE 56 1HB PHE 56 0.364 -6.201 1.012
445 2HB PHE 56 2HB PHE 56 -0.146 -7.500 -0.041
446 HD1 PHE 56 HD1 PHE 56 2.013 -4.435 0.161
447 HD2 PHE 56 HD2 PHE 56 1.099 -8.052 -1.994
448 HE1 PHE 56 HE1 PHE 56 4.046 -4.125 -1.226
449 HE2 PHE 56 HE2 PHE 56 3.145 -7.769 -3.336
450 HZ PHE 56 HZ PHE 56 4.605 -5.792 -3.015
451 H ILE 57 H ILE 57 -3.222 -6.931 -1.013
452 HA ILE 57 HA ILE 57 -4.346 -6.589 1.741
453 HB ILE 57 HB ILE 57 -6.007 -6.315 -0.787
454 1HG1 ILE 57 1HG1 ILE 57 -5.249 -4.096 1.180
455 2HG1 ILE 57 2HG1 ILE 57 -4.514 -4.302 -0.403
456 1HG2 ILE 57 2HG2 ILE 57 -7.175 -7.300 1.198
457 2HG2 ILE 57 3HG2 ILE 57 -6.714 -5.883 2.162
458 3HG2 ILE 57 1HG2 ILE 57 -7.827 -5.726 0.787
459 1HD1 ILE 57 3HD1 ILE 57 -6.811 -4.115 -1.451
460 2HD1 ILE 57 1HD1 ILE 57 -7.399 -3.595 0.146
461 3HD1 ILE 57 2HD1 ILE 57 -6.152 -2.656 -0.699
462 H ASP 58 H ASP 58 -4.646 -8.569 2.546
463 HA ASP 58 HA ASP 58 -4.711 -10.876 2.680
464 1HB ASP 58 1HB ASP 58 -6.815 -10.207 0.684
465 2HB ASP 58 2HB ASP 58 -6.466 -11.901 1.041
466 H ALA 59 H ALA 59 -2.728 -9.911 1.540
467 HA ALA 59 HA ALA 59 -0.713 -10.373 0.560
468 1HB ALA 59 3HB ALA 59 -1.972 -13.057 -0.087
469 2HB ALA 59 1HB ALA 59 -0.296 -12.632 -0.408
470 3HB ALA 59 2HB ALA 59 -0.901 -12.645 1.265
471 H GLN 60 H GLN 60 -3.545 -10.030 -1.337
472 HA GLN 60 HA GLN 60 -2.295 -10.328 -3.937
473 1HB GLN 60 1HB GLN 60 -4.862 -8.885 -3.123
474 2HB GLN 60 2HB GLN 60 -4.331 -9.209 -4.778
475 1HG GLN 60 1HG GLN 60 -4.396 -11.627 -4.367
476 2HG GLN 60 2HG GLN 60 -4.866 -11.352 -2.682
477 1HE2 GLN 60 2HE2 GLN 60 -8.267 -11.221 -3.386
478 2HE2 GLN 60 1HE2 GLN 60 -6.968 -11.333 -2.214
479 H HIS 61 H HIS 61 -0.895 -8.981 -4.730
480 HA HIS 61 HA HIS 61 -0.239 -6.399 -3.589
481 1HB HIS 61 1HB HIS 61 1.436 -7.880 -4.702
482 2HB HIS 61 2HB HIS 61 0.465 -7.916 -6.155
483 HD1 HIS 61 HD1 HIS 61 2.038 -6.888 -7.879
484 HD2 HIS 61 HD2 HIS 61 1.508 -4.639 -4.314
485 HE1 HIS 61 HE1 HIS 61 3.153 -4.625 -8.266
486 HE2 HIS 61 HE2 HIS 61 2.783 -3.227 -6.147
487 H ILE 62 H ILE 62 -1.259 -4.467 -4.101
488 HA ILE 62 HA ILE 62 -3.367 -4.513 -6.134
489 HB ILE 62 HB ILE 62 -2.508 -2.135 -4.467
490 1HG1 ILE 62 1HG1 ILE 62 -2.758 -3.718 -2.814
491 2HG1 ILE 62 2HG1 ILE 62 -4.204 -2.736 -2.783
492 1HG2 ILE 62 2HG2 ILE 62 -5.137 -2.938 -5.767
493 2HG2 ILE 62 3HG2 ILE 62 -4.924 -1.518 -4.717
494 3HG2 ILE 62 1HG2 ILE 62 -4.066 -1.616 -6.261
495 1HD1 ILE 62 1HD1 ILE 62 -4.155 -5.486 -4.123
496 2HD1 ILE 62 2HD1 ILE 62 -4.730 -5.170 -2.495
497 3HD1 ILE 62 3HD1 ILE 62 -5.561 -4.435 -3.875
498 H GLY 63 H GLY 63 -0.637 -2.270 -5.393
499 1HA GLY 63 1HA GLY 63 0.823 -1.871 -7.551
500 2HA GLY 63 2HA GLY 63 -0.738 -1.230 -8.120
501 H GLY 64 H GLY 64 -0.262 0.919 -8.116
502 1HA GLY 64 1HA GLY 64 1.161 2.227 -5.915
503 2HA GLY 64 2HA GLY 64 0.686 2.921 -7.471
504 H TYR 65 H TYR 65 0.011 4.767 -6.208
505 HA TYR 65 HA TYR 65 -2.018 4.514 -4.142
506 1HB TYR 65 1HB TYR 65 -0.438 6.316 -3.860
507 2HB TYR 65 2HB TYR 65 -0.715 6.908 -5.492
508 HD1 TYR 65 HD2 TYR 65 -2.859 5.953 -2.582
509 HD2 TYR 65 HD1 TYR 65 -2.062 8.873 -5.641
510 HE1 TYR 65 HE2 TYR 65 -4.678 7.330 -1.727
511 HE2 TYR 65 HE1 TYR 65 -3.953 10.226 -4.822
512 HH TYR 65 HH TYR 65 -5.966 10.088 -3.512
513 H ASP 66 H ASP 66 -2.011 6.023 -7.477
514 HA ASP 66 HA ASP 66 -4.804 6.586 -7.360
515 1HB ASP 66 1HB ASP 66 -2.886 6.184 -9.678
516 2HB ASP 66 2HB ASP 66 -4.615 6.283 -9.973
517 H ASP 67 H ASP 67 -2.980 3.706 -8.123
518 HA ASP 67 HA ASP 67 -5.117 2.117 -9.134
519 1HB ASP 67 1HB ASP 67 -2.657 1.207 -7.596
520 2HB ASP 67 2HB ASP 67 -3.789 0.152 -8.416
521 H LEU 68 H LEU 68 -3.863 2.565 -5.691
522 HA LEU 68 HA LEU 68 -5.834 0.727 -4.693
523 1HB LEU 68 1HB LEU 68 -3.813 1.362 -3.362
524 2HB LEU 68 2HB LEU 68 -4.459 3.001 -3.195
525 HG LEU 68 HG LEU 68 -6.537 1.998 -2.104
526 1HD1 LEU 68 2HD1 LEU 68 -4.875 -0.528 -2.368
527 2HD1 LEU 68 3HD1 LEU 68 -6.115 -0.348 -1.120
528 3HD1 LEU 68 1HD1 LEU 68 -6.576 -0.266 -2.826
529 1HD2 LEU 68 2HD2 LEU 68 -4.530 2.893 -0.789
530 2HD2 LEU 68 3HD2 LEU 68 -5.802 1.940 -0.010
531 3HD2 LEU 68 1HD2 LEU 68 -4.276 1.173 -0.375
532 H TYR 69 H TYR 69 -5.786 4.244 -4.985
533 HA TYR 69 HA TYR 69 -8.218 4.885 -3.675
534 1HB TYR 69 1HB TYR 69 -6.412 6.488 -4.451
535 2HB TYR 69 2HB TYR 69 -6.928 6.246 -6.104
536 HD1 TYR 69 HD1 TYR 69 -9.202 7.096 -6.875
537 HD2 TYR 69 HD2 TYR 69 -7.588 7.977 -2.973
538 HE1 TYR 69 HE1 TYR 69 -10.908 8.849 -6.542
539 HE2 TYR 69 HE2 TYR 69 -9.298 9.701 -2.623
540 HH TYR 69 HH TYR 69 -11.173 10.700 -3.478
541 H ALA 70 H ALA 70 -7.598 4.114 -7.124
542 HA ALA 70 HA ALA 70 -10.373 4.210 -7.906
543 1HB ALA 70 1HB ALA 70 -7.971 2.829 -9.182
544 2HB ALA 70 2HB ALA 70 -9.559 3.047 -9.938
545 3HB ALA 70 3HB ALA 70 -8.565 4.465 -9.550
546 H LEU 71 H LEU 71 -8.181 1.645 -6.695
547 HA LEU 71 HA LEU 71 -9.981 -0.510 -7.132
548 1HB LEU 71 1HB LEU 71 -7.439 -0.541 -6.525
549 2HB LEU 71 2HB LEU 71 -7.993 -0.545 -4.867
550 HG LEU 71 HG LEU 71 -7.406 -2.726 -5.662
551 1HD1 LEU 71 1HD1 LEU 71 -9.202 -2.672 -4.101
552 2HD1 LEU 71 2HD1 LEU 71 -10.346 -2.788 -5.480
553 3HD1 LEU 71 3HD1 LEU 71 -9.206 -4.105 -5.143
554 1HD2 LEU 71 2HD2 LEU 71 -7.773 -2.399 -8.090
555 2HD2 LEU 71 3HD2 LEU 71 -8.447 -3.909 -7.483
556 3HD2 LEU 71 1HD2 LEU 71 -9.524 -2.551 -7.836
557 H ASP 72 H ASP 72 -9.659 1.852 -4.457
558 HA ASP 72 HA ASP 72 -11.750 0.562 -2.907
559 1HB ASP 72 1HB ASP 72 -10.239 2.362 -1.922
560 2HB ASP 72 2HB ASP 72 -11.169 3.532 -2.840
561 H ALA 73 H ALA 73 -11.751 3.352 -5.125
562 HA ALA 73 HA ALA 73 -14.512 3.783 -5.044
563 1HB ALA 73 3HB ALA 73 -12.918 5.441 -5.906
564 2HB ALA 73 1HB ALA 73 -12.565 4.400 -7.301
565 3HB ALA 73 2HB ALA 73 -14.175 5.125 -7.113
566 H ARG 74 H ARG 74 -12.890 1.321 -6.892
567 HA ARG 74 HA ARG 74 -15.168 0.724 -8.613
568 1HB ARG 74 1HB ARG 74 -13.826 -0.908 -9.532
569 2HB ARG 74 2HB ARG 74 -12.661 0.296 -9.061
570 1HG ARG 74 1HG ARG 74 -11.534 -1.390 -8.042
571 2HG ARG 74 2HG ARG 74 -12.754 -1.350 -6.806
572 1HD ARG 74 1HD ARG 74 -12.517 -3.607 -7.471
573 2HD ARG 74 2HD ARG 74 -14.053 -3.058 -8.141
574 HE ARG 74 HE ARG 74 -11.664 -2.845 -9.857
575 1HH1 ARG 74 2HH2 ARG 74 -14.736 -4.582 -9.229
576 2HH1 ARG 74 1HH2 ARG 74 -14.561 -5.612 -10.608
577 1HH2 ARG 74 2HH1 ARG 74 -11.376 -4.363 -11.538
578 2HH2 ARG 74 1HH1 ARG 74 -12.631 -5.506 -11.924
579 H GLY 75 H GLY 75 -14.455 0.045 -5.319
580 1HA GLY 75 1HA GLY 75 -15.490 -1.308 -3.803
581 2HA GLY 75 2HA GLY 75 -16.586 -1.918 -5.052
582 H GLY 76 H GLY 76 -12.865 -1.996 -4.701
583 1HA GLY 76 1HA GLY 76 -13.170 -4.956 -4.499
584 2HA GLY 76 2HA GLY 76 -11.878 -4.185 -5.398
585 H LEU 77 H LEU 77 -11.632 -1.922 -3.338
586 HA LEU 77 HA LEU 77 -9.743 -3.289 -1.665
587 1HB LEU 77 1HB LEU 77 -9.650 -0.859 -2.447
588 2HB LEU 77 2HB LEU 77 -10.895 -0.485 -1.267
589 HG LEU 77 HG LEU 77 -8.069 -1.354 -0.737
590 1HD1 LEU 77 2HD1 LEU 77 -8.537 1.010 -1.349
591 2HD1 LEU 77 3HD1 LEU 77 -9.664 1.125 0.026
592 3HD1 LEU 77 1HD1 LEU 77 -7.932 0.861 0.308
593 1HD2 LEU 77 3HD2 LEU 77 -10.281 -0.982 1.319
594 2HD2 LEU 77 1HD2 LEU 77 -9.239 -2.409 1.077
595 3HD2 LEU 77 2HD2 LEU 77 -8.549 -0.919 1.705
596 H ASP 78 H ASP 78 -12.885 -1.650 -1.006
597 HA ASP 78 HA ASP 78 -12.702 -2.282 1.757
598 1HB ASP 78 1HB ASP 78 -14.198 -0.495 0.692
599 2HB ASP 78 2HB ASP 78 -15.409 -1.774 0.510
600 HA PRO 79 HA PRO 79 -15.473 -6.096 1.011
601 1HB PRO 79 1HB PRO 79 -15.374 -7.332 -1.484
602 2HB PRO 79 2HB PRO 79 -16.677 -6.256 -0.891
603 1HG PRO 79 1HG PRO 79 -14.311 -5.589 -2.636
604 2HG PRO 79 2HG PRO 79 -16.016 -5.062 -2.821
605 1HD PRO 79 1HD PRO 79 -14.160 -3.438 -1.752
606 2HD PRO 79 2HD PRO 79 -15.811 -3.479 -1.083
607 H LEU 80 H LEU 80 -12.257 -5.775 -0.625
608 HA LEU 80 HA LEU 80 -11.530 -8.530 0.105
609 1HB LEU 80 1HB LEU 80 -9.927 -6.154 -0.907
610 2HB LEU 80 2HB LEU 80 -9.176 -7.665 -0.421
611 HG LEU 80 HG LEU 80 -11.254 -7.485 -2.640
612 1HD1 LEU 80 2HD1 LEU 80 -9.150 -6.298 -3.212
613 2HD1 LEU 80 3HD1 LEU 80 -8.212 -7.748 -2.787
614 3HD1 LEU 80 1HD1 LEU 80 -9.338 -7.777 -4.164
615 1HD2 LEU 80 3HD2 LEU 80 -9.440 -9.763 -1.754
616 2HD2 LEU 80 1HD2 LEU 80 -11.214 -9.718 -1.645
617 3HD2 LEU 80 2HD2 LEU 80 -10.444 -9.737 -3.225
618 H LEU 81 H LEU 81 -11.936 -5.644 1.860
619 HA LEU 81 HA LEU 81 -9.858 -6.126 3.829
620 1HB LEU 81 1HB LEU 81 -11.408 -3.961 3.091
621 2HB LEU 81 2HB LEU 81 -12.318 -4.539 4.463
622 HG LEU 81 HG LEU 81 -10.945 -2.824 5.250
623 1HD1 LEU 81 2HD1 LEU 81 -9.372 -5.304 6.015
624 2HD1 LEU 81 3HD1 LEU 81 -9.322 -3.722 6.828
625 3HD1 LEU 81 1HD1 LEU 81 -10.801 -4.672 6.859
626 1HD2 LEU 81 3HD2 LEU 81 -8.665 -4.140 3.730
627 2HD2 LEU 81 1HD2 LEU 81 -9.523 -2.641 3.339
628 3HD2 LEU 81 2HD2 LEU 81 -8.509 -2.701 4.772
629 H LYS 82 H LYS 82 -12.389 -8.109 3.085
630 HA LYS 82 HA LYS 82 -13.846 -8.323 5.529
631 1HB LYS 82 1HB LYS 82 -14.251 -9.382 3.041
632 2HB LYS 82 2HB LYS 82 -13.478 -10.768 3.802
633 1HG LYS 82 1HG LYS 82 -15.804 -11.089 4.179
634 2HG LYS 82 2HG LYS 82 -15.205 -10.462 5.717
635 1HD LYS 82 1HD LYS 82 -15.855 -8.099 4.689
636 2HD LYS 82 2HD LYS 82 -16.770 -9.047 3.531
637 1HE LYS 82 1HE LYS 82 -18.312 -8.426 5.175
638 2HE LYS 82 2HE LYS 82 -17.968 -10.130 5.504
639 1HZ LYS 82 1HZ LYS 82 -16.735 -7.839 6.923
640 2HZ LYS 82 2HZ LYS 82 -18.002 -8.702 7.482
641 3HZ LYS 82 3HZ LYS 82 -16.530 -9.423 7.310
642 1HB2 GTT 83 1HB2 GTT 83 8.625 6.662 -3.309
643 2HB2 GTT 83 2HB2 GTT 83 9.886 7.889 -3.541
644 HA2 GTT 83 HA2 GTT 83 9.907 7.522 -5.926
645 HN2 GTT 83 HN2 GTT 83 7.308 6.291 -5.376
646 1HG1 GTT 83 1HG1 GTT 83 6.088 7.028 -8.125
647 2HG1 GTT 83 2HG1 GTT 83 5.899 5.796 -6.882
648 1HB1 GTT 83 1HB1 GTT 83 7.269 4.525 -9.034
649 2HB1 GTT 83 2HB1 GTT 83 5.973 5.465 -9.744
650 HA1 GTT 83 HA1 GTT 83 5.472 3.722 -7.312
651 1HN1 GTT 83 1HN1 GTT 83 5.194 2.810 -10.081
652 2HN1 GTT 83 2HN1 GTT 83 6.323 2.273 -8.978
653 3HN1 GTT 83 3HN1 GTT 83 4.702 2.060 -8.715
654 HN3 GTT 83 HN3 GTT 83 11.631 6.070 -6.407
655 1HA3 GTT 83 1HA3 GTT 83 11.592 3.408 -5.030
656 2HA3 GTT 83 2HA3 GTT 83 12.280 3.713 -6.624
No H/Q in entry = 656
Start of MODEL 8
1 1H ALA 1 1H ALA 1 -8.009 -10.750 6.109
2 2H ALA 1 2H ALA 1 -9.113 -9.636 5.566
3 3H ALA 1 3H ALA 1 -7.813 -10.036 4.640
4 HA ALA 1 HA ALA 1 -7.390 -7.956 5.540
5 1HB ALA 1 1HB ALA 1 -7.991 -9.233 8.230
6 2HB ALA 1 2HB ALA 1 -7.249 -7.629 8.008
7 3HB ALA 1 3HB ALA 1 -8.878 -7.922 7.422
8 H ASN 2 H ASN 2 -5.470 -8.721 4.467
9 HA ASN 2 HA ASN 2 -3.316 -8.404 6.495
10 1HB ASN 2 1HB ASN 2 -3.024 -10.630 5.501
11 2HB ASN 2 2HB ASN 2 -3.039 -9.955 3.887
12 1HD2 ASN 2 2HD2 ASN 2 0.289 -8.392 4.229
13 2HD2 ASN 2 1HD2 ASN 2 -1.315 -8.045 3.615
14 H VAL 3 H VAL 3 -4.180 -6.136 6.175
15 HA VAL 3 HA VAL 3 -3.785 -5.077 3.428
16 HB VAL 3 HB VAL 3 -5.230 -3.870 5.822
17 1HG1 VAL 3 3HG1 VAL 3 -4.328 -2.186 4.197
18 2HG1 VAL 3 1HG1 VAL 3 -5.191 -3.002 2.890
19 3HG1 VAL 3 2HG1 VAL 3 -6.096 -2.244 4.218
20 1HG2 VAL 3 1HG2 VAL 3 -6.121 -5.549 3.457
21 2HG2 VAL 3 2HG2 VAL 3 -6.579 -5.693 5.165
22 3HG2 VAL 3 3HG2 VAL 3 -7.215 -4.376 4.165
23 H GLU 4 H GLU 4 -1.810 -4.255 3.050
24 HA GLU 4 HA GLU 4 -0.429 -2.836 5.261
25 1HB GLU 4 1HB GLU 4 1.032 -4.772 3.452
26 2HB GLU 4 2HB GLU 4 1.631 -3.871 4.831
27 1HG GLU 4 1HG GLU 4 0.203 -5.143 6.357
28 2HG GLU 4 2HG GLU 4 -0.497 -6.046 5.019
29 H ILE 5 H ILE 5 0.935 -1.156 4.464
30 HA ILE 5 HA ILE 5 0.803 -0.530 1.584
31 HB ILE 5 HB ILE 5 -1.052 0.673 2.265
32 1HG1 ILE 5 1HG1 ILE 5 1.206 2.710 2.488
33 2HG1 ILE 5 2HG1 ILE 5 0.782 1.926 0.975
34 1HG2 ILE 5 3HG2 ILE 5 -0.778 0.519 4.751
35 2HG2 ILE 5 1HG2 ILE 5 0.374 1.870 4.658
36 3HG2 ILE 5 2HG2 ILE 5 -1.319 2.091 4.196
37 1HD1 ILE 5 1HD1 ILE 5 -1.201 3.589 2.588
38 2HD1 ILE 5 2HD1 ILE 5 -0.165 4.217 1.311
39 3HD1 ILE 5 3HD1 ILE 5 -1.388 2.985 0.934
40 H TYR 6 H TYR 6 2.844 -0.499 1.010
41 HA TYR 6 HA TYR 6 4.998 0.028 2.908
42 1HB TYR 6 1HB TYR 6 4.921 -0.367 -0.107
43 2HB TYR 6 2HB TYR 6 6.394 -0.009 0.792
44 HD1 TYR 6 HD1 TYR 6 7.397 -1.557 2.341
45 HD2 TYR 6 HD2 TYR 6 3.822 -2.578 0.164
46 HE1 TYR 6 HE1 TYR 6 7.745 -3.938 2.909
47 HE2 TYR 6 HE2 TYR 6 4.196 -4.984 0.709
48 HH TYR 6 HH TYR 6 7.045 -6.149 2.381
49 H THR 7 H THR 7 6.169 1.838 3.153
50 HA THR 7 HA THR 7 5.540 4.233 1.550
51 HB THR 7 HB THR 7 5.380 5.434 3.773
52 HG1 THR 7 HG1 THR 7 4.964 4.238 5.593
53 1HG2 THR 7 1HG2 THR 7 3.331 4.642 2.416
54 2HG2 THR 7 2HG2 THR 7 3.234 3.286 3.541
55 3HG2 THR 7 3HG2 THR 7 3.055 4.947 4.133
56 H LYS 8 H LYS 8 7.185 6.014 2.178
57 HA LYS 8 HA LYS 8 9.542 5.072 3.538
58 1HB LYS 8 1HB LYS 8 11.175 5.622 1.881
59 2HB LYS 8 2HB LYS 8 10.141 4.335 1.293
60 1HG LYS 8 1HG LYS 8 8.893 5.942 -0.117
61 2HG LYS 8 2HG LYS 8 9.883 7.262 0.488
62 1HD LYS 8 1HD LYS 8 10.920 4.889 -1.116
63 2HD LYS 8 2HD LYS 8 10.615 6.497 -1.754
64 1HE LYS 8 1HE LYS 8 12.651 5.720 0.364
65 2HE LYS 8 2HE LYS 8 12.982 5.991 -1.350
66 1HZ LYS 8 3HZ LYS 8 11.913 8.103 0.420
67 2HZ LYS 8 1HZ LYS 8 13.499 7.856 0.131
68 3HZ LYS 8 2HZ LYS 8 12.544 8.267 -1.126
69 H GLU 9 H GLU 9 11.057 7.108 3.721
70 HA GLU 9 HA GLU 9 9.498 9.413 4.525
71 1HB GLU 9 1HB GLU 9 11.865 8.249 5.286
72 2HB GLU 9 2HB GLU 9 12.488 9.562 4.321
73 1HG GLU 9 1HG GLU 9 10.403 9.953 6.525
74 2HG GLU 9 2HG GLU 9 12.120 9.814 6.886
75 H THR 10 H THR 10 10.238 11.617 3.670
76 HA THR 10 HA THR 10 10.353 13.144 2.031
77 HB THR 10 HB THR 10 12.375 13.023 0.696
78 HG1 THR 10 HG1 THR 10 12.057 10.315 1.209
79 1HG2 THR 10 2HG2 THR 10 12.662 13.330 3.194
80 2HG2 THR 10 3HG2 THR 10 12.980 11.593 3.319
81 3HG2 THR 10 1HG2 THR 10 14.059 12.609 2.374
82 H CYS 11 H CYS 11 8.181 11.351 1.578
83 HA CYS 11 HA CYS 11 8.062 11.171 -1.377
84 1HB CYS 11 1HB CYS 11 8.933 9.050 -0.583
85 2HB CYS 11 2HB CYS 11 7.593 8.895 0.561
86 HA PRO 12 HA PRO 12 4.238 12.876 0.429
87 1HB PRO 12 1HB PRO 12 3.338 14.307 -1.656
88 2HB PRO 12 2HB PRO 12 4.659 14.867 -0.601
89 1HG PRO 12 1HG PRO 12 4.933 13.549 -3.315
90 2HG PRO 12 2HG PRO 12 5.783 15.001 -2.695
91 1HD PRO 12 1HD PRO 12 6.916 12.522 -2.627
92 2HD PRO 12 2HD PRO 12 7.182 13.707 -1.312
93 H TYR 13 H TYR 13 4.461 11.412 -2.840
94 HA TYR 13 HA TYR 13 1.803 10.559 -3.239
95 1HB TYR 13 1HB TYR 13 3.949 10.471 -4.718
96 2HB TYR 13 2HB TYR 13 4.368 9.013 -3.866
97 HD1 TYR 13 HD1 TYR 13 2.044 7.357 -3.782
98 HD2 TYR 13 HD2 TYR 13 3.278 10.037 -6.922
99 HE1 TYR 13 HE1 TYR 13 1.190 5.795 -5.440
100 HE2 TYR 13 HE2 TYR 13 2.166 8.589 -8.583
101 HH TYR 13 HH TYR 13 0.323 6.690 -8.563
102 H SER 14 H SER 14 4.441 9.056 -1.297
103 HA SER 14 HA SER 14 2.953 6.778 -0.418
104 1HB SER 14 1HB SER 14 5.282 6.729 -0.198
105 2HB SER 14 2HB SER 14 5.357 8.260 0.679
106 HG SER 14 HG SER 14 4.491 7.262 2.463
107 H HIS 15 H HIS 15 3.360 10.104 1.019
108 HA HIS 15 HA HIS 15 1.776 9.351 3.304
109 1HB HIS 15 1HB HIS 15 2.674 12.034 2.215
110 2HB HIS 15 2HB HIS 15 1.496 11.944 3.506
111 HD1 HIS 15 HD1 HIS 15 2.348 11.497 5.951
112 HD2 HIS 15 HD2 HIS 15 5.237 11.075 2.868
113 HE1 HIS 15 HE1 HIS 15 4.652 11.319 7.084
114 HE2 HIS 15 HE2 HIS 15 6.394 11.074 5.188
115 H ARG 16 H ARG 16 0.929 10.767 0.192
116 HA ARG 16 HA ARG 16 -1.837 11.230 0.625
117 1HB ARG 16 1HB ARG 16 0.030 10.782 -1.716
118 2HB ARG 16 2HB ARG 16 -1.665 10.528 -2.016
119 1HG ARG 16 1HG ARG 16 -2.159 12.765 -1.048
120 2HG ARG 16 2HG ARG 16 -0.428 13.063 -0.884
121 1HD ARG 16 1HD ARG 16 -1.854 12.432 -3.516
122 2HD ARG 16 2HD ARG 16 -1.615 14.063 -2.909
123 HE ARG 16 HE ARG 16 0.299 12.397 -4.250
124 1HH1 ARG 16 2HH2 ARG 16 -0.026 15.029 -1.857
125 2HH1 ARG 16 1HH2 ARG 16 1.513 15.741 -2.246
126 1HH2 ARG 16 2HH1 ARG 16 2.372 13.431 -4.780
127 2HH2 ARG 16 1HH1 ARG 16 2.774 14.920 -4.013
128 H ALA 17 H ALA 17 -0.223 8.189 -0.498
129 HA ALA 17 HA ALA 17 -2.709 7.030 -1.010
130 1HB ALA 17 3HB ALA 17 -0.602 6.224 -1.928
131 2HB ALA 17 1HB ALA 17 -0.068 5.686 -0.332
132 3HB ALA 17 2HB ALA 17 -1.454 4.887 -1.121
133 H LYS 18 H LYS 18 -1.144 7.180 2.094
134 HA LYS 18 HA LYS 18 -3.057 5.235 3.280
135 1HB LYS 18 1HB LYS 18 -1.883 7.173 5.177
136 2HB LYS 18 2HB LYS 18 -2.183 5.471 5.320
137 1HG LYS 18 1HG LYS 18 0.080 5.464 5.407
138 2HG LYS 18 2HG LYS 18 -0.156 5.217 3.669
139 1HD LYS 18 1HD LYS 18 1.557 6.896 3.916
140 2HD LYS 18 2HD LYS 18 0.083 7.659 3.348
141 1HE LYS 18 1HE LYS 18 0.739 9.187 4.940
142 2HE LYS 18 2HE LYS 18 -0.401 8.210 5.836
143 1HZ LYS 18 1HZ LYS 18 2.531 7.876 5.944
144 2HZ LYS 18 2HZ LYS 18 1.606 8.650 7.059
145 3HZ LYS 18 3HZ LYS 18 1.456 7.028 6.825
146 H ALA 19 H ALA 19 -2.982 8.754 2.713
147 HA ALA 19 HA ALA 19 -5.000 9.417 4.632
148 1HB ALA 19 3HB ALA 19 -3.538 11.105 3.513
149 2HB ALA 19 1HB ALA 19 -4.397 10.799 1.979
150 3HB ALA 19 2HB ALA 19 -5.268 11.463 3.371
151 H LEU 20 H LEU 20 -5.079 7.961 1.446
152 HA LEU 20 HA LEU 20 -7.972 8.236 1.066
153 1HB LEU 20 1HB LEU 20 -6.577 7.646 -0.789
154 2HB LEU 20 2HB LEU 20 -6.039 6.144 -0.047
155 HG LEU 20 HG LEU 20 -8.994 6.669 -0.618
156 1HD1 LEU 20 3HD1 LEU 20 -7.752 7.001 -2.721
157 2HD1 LEU 20 1HD1 LEU 20 -7.001 5.395 -2.535
158 3HD1 LEU 20 2HD1 LEU 20 -8.763 5.552 -2.749
159 1HD2 LEU 20 3HD2 LEU 20 -7.329 4.148 -0.168
160 2HD2 LEU 20 1HD2 LEU 20 -8.803 4.649 0.677
161 3HD2 LEU 20 2HD2 LEU 20 -8.908 4.093 -0.966
162 H LEU 21 H LEU 21 -5.997 5.517 2.260
163 HA LEU 21 HA LEU 21 -8.166 3.856 3.059
164 1HB LEU 21 1HB LEU 21 -5.265 4.048 3.922
165 2HB LEU 21 2HB LEU 21 -6.373 2.948 4.698
166 HG LEU 21 HG LEU 21 -6.777 2.588 1.875
167 1HD1 LEU 21 2HD1 LEU 21 -3.838 2.564 2.663
168 2HD1 LEU 21 3HD1 LEU 21 -4.510 1.795 1.208
169 3HD1 LEU 21 1HD1 LEU 21 -4.633 3.540 1.404
170 1HD2 LEU 21 2HD2 LEU 21 -7.131 0.889 3.587
171 2HD2 LEU 21 3HD2 LEU 21 -6.038 0.303 2.333
172 3HD2 LEU 21 1HD2 LEU 21 -5.384 0.811 3.909
173 H SER 22 H SER 22 -6.428 6.392 4.889
174 HA SER 22 HA SER 22 -7.863 6.013 7.316
175 1HB SER 22 1HB SER 22 -5.664 7.171 7.062
176 2HB SER 22 2HB SER 22 -6.482 8.523 6.259
177 HG SER 22 HG SER 22 -7.475 7.710 8.771
178 H SER 23 H SER 23 -8.464 8.269 4.497
179 HA SER 23 HA SER 23 -10.750 9.552 5.494
180 1HB SER 23 1HB SER 23 -9.700 10.350 3.508
181 2HB SER 23 2HB SER 23 -9.805 8.781 2.716
182 HG SER 23 HG SER 23 -12.051 10.408 3.389
183 H LYS 24 H LYS 24 -10.446 6.434 3.742
184 HA LYS 24 HA LYS 24 -13.273 5.818 3.973
185 1HB LYS 24 1HB LYS 24 -10.816 4.369 2.956
186 2HB LYS 24 2HB LYS 24 -12.299 3.471 3.256
187 1HG LYS 24 1HG LYS 24 -12.481 3.972 1.036
188 2HG LYS 24 2HG LYS 24 -13.564 5.078 1.838
189 1HD LYS 24 1HD LYS 24 -11.512 6.804 1.580
190 2HD LYS 24 2HD LYS 24 -10.940 5.607 0.417
191 1HE LYS 24 1HE LYS 24 -12.207 7.137 -0.865
192 2HE LYS 24 2HE LYS 24 -13.219 5.706 -0.675
193 1HZ LYS 24 3HZ LYS 24 -14.186 6.995 1.328
194 2HZ LYS 24 1HZ LYS 24 -13.490 8.318 0.640
195 3HZ LYS 24 2HZ LYS 24 -14.647 7.458 -0.161
196 H GLY 25 H GLY 25 -11.137 5.977 6.453
197 1HA GLY 25 1HA GLY 25 -11.349 5.278 8.635
198 2HA GLY 25 2HA GLY 25 -12.920 4.590 8.194
199 H VAL 26 H VAL 26 -9.989 3.541 6.516
200 HA VAL 26 HA VAL 26 -10.547 0.792 7.373
201 HB VAL 26 HB VAL 26 -8.449 1.819 5.410
202 1HG1 VAL 26 2HG1 VAL 26 -9.826 -0.858 5.798
203 2HG1 VAL 26 3HG1 VAL 26 -8.851 -0.474 4.370
204 3HG1 VAL 26 1HG1 VAL 26 -8.084 -0.516 5.954
205 1HG2 VAL 26 1HG2 VAL 26 -11.347 1.038 4.837
206 2HG2 VAL 26 2HG2 VAL 26 -10.611 2.636 4.614
207 3HG2 VAL 26 3HG2 VAL 26 -10.096 1.301 3.599
208 H SER 27 H SER 27 -8.749 -0.581 8.142
209 HA SER 27 HA SER 27 -6.526 0.874 9.458
210 1HB SER 27 1HB SER 27 -8.057 -1.533 10.522
211 2HB SER 27 2HB SER 27 -6.500 -0.960 11.151
212 HG SER 27 HG SER 27 -9.006 0.392 11.070
213 H PHE 28 H PHE 28 -4.529 -0.011 9.232
214 HA PHE 28 HA PHE 28 -4.007 -2.267 7.443
215 1HB PHE 28 1HB PHE 28 -2.885 -0.658 5.815
216 2HB PHE 28 2HB PHE 28 -4.635 -0.548 5.843
217 HD1 PHE 28 HD2 PHE 28 -1.506 1.192 6.979
218 HD2 PHE 28 HD1 PHE 28 -5.795 1.451 6.537
219 HE1 PHE 28 HE2 PHE 28 -1.420 3.611 7.493
220 HE2 PHE 28 HE1 PHE 28 -5.698 3.866 7.064
221 HZ PHE 28 HZ PHE 28 -3.511 4.959 7.523
222 H GLN 29 H GLN 29 -1.540 -2.140 6.994
223 HA GLN 29 HA GLN 29 -0.051 -1.334 9.414
224 1HB GLN 29 1HB GLN 29 -0.487 -3.885 8.190
225 2HB GLN 29 2HB GLN 29 1.156 -3.484 7.820
226 1HG GLN 29 1HG GLN 29 0.042 -3.245 10.661
227 2HG GLN 29 2HG GLN 29 0.528 -4.795 10.008
228 1HE2 GLN 29 2HE2 GLN 29 3.720 -2.195 10.260
229 2HE2 GLN 29 1HE2 GLN 29 2.420 -1.721 9.271
230 H GLU 30 H GLU 30 0.665 0.569 8.702
231 HA GLU 30 HA GLU 30 1.793 1.020 6.074
232 1HB GLU 30 1HB GLU 30 1.291 2.723 8.192
233 2HB GLU 30 2HB GLU 30 3.053 2.480 8.326
234 1HG GLU 30 1HG GLU 30 3.162 2.960 5.842
235 2HG GLU 30 2HG GLU 30 1.488 3.509 5.935
236 H LEU 31 H LEU 31 3.894 0.657 5.364
237 HA LEU 31 HA LEU 31 5.720 -0.935 7.135
238 1HB LEU 31 1HB LEU 31 5.071 -1.542 4.261
239 2HB LEU 31 2HB LEU 31 6.356 -2.282 5.209
240 HG LEU 31 HG LEU 31 3.364 -2.476 5.764
241 1HD1 LEU 31 3HD1 LEU 31 5.420 -4.434 4.695
242 2HD1 LEU 31 1HD1 LEU 31 3.738 -4.836 5.090
243 3HD1 LEU 31 2HD1 LEU 31 4.085 -3.667 3.786
244 1HD2 LEU 31 2HD2 LEU 31 5.662 -3.934 7.143
245 2HD2 LEU 31 3HD2 LEU 31 4.607 -2.706 7.889
246 3HD2 LEU 31 1HD2 LEU 31 3.924 -4.248 7.372
247 HA PRO 32 HA PRO 32 7.818 2.778 5.470
248 1HB PRO 32 1HB PRO 32 9.392 3.267 7.691
249 2HB PRO 32 2HB PRO 32 7.735 3.830 7.440
250 1HG PRO 32 1HG PRO 32 8.732 1.641 9.220
251 2HG PRO 32 2HG PRO 32 7.214 2.575 9.354
252 1HD PRO 32 1HD PRO 32 7.662 -0.037 8.229
253 2HD PRO 32 2HD PRO 32 6.096 0.797 8.329
254 H ILE 33 H ILE 33 8.947 1.715 3.916
255 HA ILE 33 HA ILE 33 11.377 0.218 4.643
256 HB ILE 33 HB ILE 33 11.649 0.096 2.147
257 1HG1 ILE 33 1HG1 ILE 33 8.711 0.834 1.996
258 2HG1 ILE 33 2HG1 ILE 33 10.039 1.904 1.504
259 1HG2 ILE 33 2HG2 ILE 33 9.305 -1.129 3.599
260 2HG2 ILE 33 3HG2 ILE 33 10.043 -1.798 2.112
261 3HG2 ILE 33 1HG2 ILE 33 10.991 -1.674 3.604
262 1HD1 ILE 33 2HD1 ILE 33 10.799 -0.196 0.089
263 2HD1 ILE 33 3HD1 ILE 33 9.106 -0.664 0.261
264 3HD1 ILE 33 1HD1 ILE 33 9.560 0.877 -0.517
265 H ASP 34 H ASP 34 11.076 3.031 5.429
266 HA ASP 34 HA ASP 34 13.203 4.248 3.857
267 1HB ASP 34 1HB ASP 34 11.579 5.781 4.822
268 2HB ASP 34 2HB ASP 34 11.706 5.027 6.411
269 H GLY 35 H GLY 35 15.378 4.507 4.632
270 1HA GLY 35 1HA GLY 35 17.206 4.368 5.974
271 2HA GLY 35 2HA GLY 35 16.155 3.898 7.306
272 H ASN 36 H ASN 36 15.084 1.610 6.445
273 HA ASN 36 HA ASN 36 17.219 -0.446 6.378
274 1HB ASN 36 1HB ASN 36 15.648 -1.510 7.566
275 2HB ASN 36 2HB ASN 36 14.488 -0.223 7.319
276 1HD2 ASN 36 2HD2 ASN 36 12.594 -1.796 4.865
277 2HD2 ASN 36 1HD2 ASN 36 13.493 -0.303 4.961
278 H ALA 37 H ALA 37 17.257 -2.001 4.690
279 HA ALA 37 HA ALA 37 15.709 -1.346 2.242
280 1HB ALA 37 1HB ALA 37 17.946 -0.427 1.861
281 2HB ALA 37 2HB ALA 37 18.658 -2.003 2.257
282 3HB ALA 37 3HB ALA 37 17.643 -1.832 0.811
283 H ALA 38 H ALA 38 16.731 -3.711 4.542
284 HA ALA 38 HA ALA 38 16.577 -6.085 3.048
285 1HB ALA 38 1HB ALA 38 15.589 -5.471 5.890
286 2HB ALA 38 2HB ALA 38 15.737 -7.098 5.212
287 3HB ALA 38 3HB ALA 38 17.181 -6.112 5.441
288 H LYS 39 H LYS 39 13.938 -4.382 4.768
289 HA LYS 39 HA LYS 39 11.949 -6.104 3.562
290 1HB LYS 39 1HB LYS 39 11.781 -4.874 5.795
291 2HB LYS 39 2HB LYS 39 11.617 -3.390 4.890
292 1HG LYS 39 1HG LYS 39 9.418 -3.712 5.183
293 2HG LYS 39 2HG LYS 39 9.546 -4.759 3.798
294 1HD LYS 39 1HD LYS 39 9.610 -5.569 6.711
295 2HD LYS 39 2HD LYS 39 8.250 -5.773 5.609
296 1HE LYS 39 1HE LYS 39 9.568 -7.373 4.252
297 2HE LYS 39 2HE LYS 39 10.947 -7.186 5.357
298 1HZ LYS 39 1HZ LYS 39 8.285 -8.236 6.116
299 2HZ LYS 39 2HZ LYS 39 9.633 -9.153 5.861
300 3HZ LYS 39 3HZ LYS 39 9.574 -8.111 7.123
301 H ARG 40 H ARG 40 13.534 -3.228 2.405
302 HA ARG 40 HA ARG 40 11.512 -2.553 0.412
303 1HB ARG 40 1HB ARG 40 13.287 -0.927 1.153
304 2HB ARG 40 2HB ARG 40 14.508 -1.912 0.352
305 1HG ARG 40 1HG ARG 40 13.833 -1.339 -1.773
306 2HG ARG 40 2HG ARG 40 12.152 -1.141 -1.321
307 1HD ARG 40 1HD ARG 40 12.874 1.025 -1.856
308 2HD ARG 40 2HD ARG 40 12.806 1.015 -0.097
309 HE ARG 40 HE ARG 40 15.141 1.144 -1.881
310 1HH1 ARG 40 2HH2 ARG 40 14.025 1.489 1.518
311 2HH1 ARG 40 1HH2 ARG 40 15.589 1.482 2.159
312 1HH2 ARG 40 2HH1 ARG 40 17.192 1.371 -1.061
313 2HH2 ARG 40 1HH1 ARG 40 17.441 1.944 0.551
314 H GLU 41 H GLU 41 14.546 -4.527 0.440
315 HA GLU 41 HA GLU 41 14.242 -5.385 -2.274
316 1HB GLU 41 1HB GLU 41 15.872 -6.409 0.074
317 2HB GLU 41 2HB GLU 41 15.927 -7.121 -1.553
318 1HG GLU 41 1HG GLU 41 16.546 -4.945 -2.533
319 2HG GLU 41 2HG GLU 41 16.484 -4.171 -0.955
320 H GLU 42 H GLU 42 13.071 -6.720 0.877
321 HA GLU 42 HA GLU 42 11.950 -9.045 -0.319
322 1HB GLU 42 1HB GLU 42 12.288 -8.613 2.149
323 2HB GLU 42 2HB GLU 42 10.984 -7.460 2.090
324 1HG GLU 42 1HG GLU 42 9.940 -9.371 2.907
325 2HG GLU 42 2HG GLU 42 9.512 -9.451 1.204
326 H MET 43 H MET 43 10.641 -5.692 0.003
327 HA MET 43 HA MET 43 8.015 -6.277 -1.009
328 1HB MET 43 1HB MET 43 8.569 -4.150 0.164
329 2HB MET 43 2HB MET 43 9.614 -3.699 -1.178
330 1HG MET 43 1HG MET 43 7.500 -3.969 -2.681
331 2HG MET 43 2HG MET 43 6.603 -3.999 -1.173
332 1HE MET 43 3HE MET 43 8.927 -2.071 -3.602
333 2HE MET 43 1HE MET 43 8.947 -0.413 -2.967
334 3HE MET 43 2HE MET 43 9.839 -1.694 -2.129
335 H ILE 44 H ILE 44 11.114 -5.370 -2.541
336 HA ILE 44 HA ILE 44 10.218 -5.160 -5.200
337 HB ILE 44 HB ILE 44 12.893 -5.821 -3.960
338 1HG1 ILE 44 1HG1 ILE 44 12.083 -3.532 -5.720
339 2HG1 ILE 44 2HG1 ILE 44 11.630 -3.486 -4.020
340 1HG2 ILE 44 2HG2 ILE 44 12.271 -5.598 -6.929
341 2HG2 ILE 44 3HG2 ILE 44 13.897 -5.523 -6.221
342 3HG2 ILE 44 1HG2 ILE 44 12.960 -7.006 -6.094
343 1HD1 ILE 44 1HD1 ILE 44 14.471 -3.626 -5.060
344 2HD1 ILE 44 2HD1 ILE 44 13.659 -2.199 -4.400
345 3HD1 ILE 44 3HD1 ILE 44 13.999 -3.575 -3.349
346 H LYS 45 H LYS 45 11.298 -8.142 -3.381
347 HA LYS 45 HA LYS 45 10.636 -9.817 -5.677
348 1HB LYS 45 1HB LYS 45 10.984 -10.507 -2.733
349 2HB LYS 45 2HB LYS 45 10.501 -11.675 -3.958
350 1HG LYS 45 1HG LYS 45 12.774 -12.026 -3.792
351 2HG LYS 45 2HG LYS 45 12.612 -11.076 -5.271
352 1HD LYS 45 1HD LYS 45 13.382 -9.058 -4.094
353 2HD LYS 45 2HD LYS 45 13.296 -9.919 -2.543
354 1HE LYS 45 1HE LYS 45 15.567 -9.872 -3.051
355 2HE LYS 45 2HE LYS 45 15.045 -11.517 -3.426
356 1HZ LYS 45 1HZ LYS 45 14.952 -10.786 -5.787
357 2HZ LYS 45 2HZ LYS 45 15.603 -9.330 -5.339
358 3HZ LYS 45 3HZ LYS 45 16.441 -10.734 -5.119
359 H ARG 46 H ARG 46 8.681 -8.582 -2.931
360 HA ARG 46 HA ARG 46 6.472 -10.326 -3.417
361 1HB ARG 46 1HB ARG 46 6.555 -7.601 -2.077
362 2HB ARG 46 2HB ARG 46 5.093 -8.565 -2.238
363 1HG ARG 46 1HG ARG 46 6.062 -10.408 -0.982
364 2HG ARG 46 2HG ARG 46 7.566 -9.507 -0.765
365 1HD ARG 46 1HD ARG 46 6.305 -7.731 0.443
366 2HD ARG 46 2HD ARG 46 4.812 -8.671 0.256
367 HE ARG 46 HE ARG 46 6.779 -10.325 1.462
368 1HH1 ARG 46 2HH2 ARG 46 4.546 -7.679 2.466
369 2HH1 ARG 46 1HH2 ARG 46 4.456 -8.298 4.078
370 1HH2 ARG 46 2HH1 ARG 46 6.662 -10.968 3.505
371 2HH2 ARG 46 1HH1 ARG 46 5.758 -10.151 4.736
372 H SER 47 H SER 47 7.404 -7.407 -5.216
373 HA SER 47 HA SER 47 4.967 -7.889 -6.921
374 1HB SER 47 1HB SER 47 4.722 -5.437 -6.996
375 2HB SER 47 2HB SER 47 4.605 -6.063 -5.344
376 HG SER 47 HG SER 47 6.006 -4.456 -5.151
377 H GLY 48 H GLY 48 8.307 -7.830 -7.099
378 1HA GLY 48 1HA GLY 48 9.748 -7.695 -8.839
379 2HA GLY 48 2HA GLY 48 8.405 -7.336 -9.937
380 H ARG 49 H ARG 49 8.118 -5.068 -7.415
381 HA ARG 49 HA ARG 49 9.456 -3.067 -9.225
382 1HB ARG 49 1HB ARG 49 6.920 -2.924 -7.576
383 2HB ARG 49 2HB ARG 49 7.612 -1.551 -8.443
384 1HG ARG 49 1HG ARG 49 6.997 -2.355 -10.531
385 2HG ARG 49 2HG ARG 49 6.976 -4.060 -10.025
386 1HD ARG 49 1HD ARG 49 4.998 -3.733 -8.679
387 2HD ARG 49 2HD ARG 49 5.031 -1.991 -8.977
388 HE ARG 49 HE ARG 49 4.000 -2.226 -10.911
389 1HH1 ARG 49 2HH2 ARG 49 5.149 -5.587 -10.160
390 2HH1 ARG 49 1HH2 ARG 49 4.178 -6.257 -11.408
391 1HH2 ARG 49 2HH1 ARG 49 2.875 -3.200 -12.612
392 2HH2 ARG 49 1HH1 ARG 49 2.721 -4.922 -12.680
393 H THR 50 H THR 50 10.558 -1.385 -8.348
394 HA THR 50 HA THR 50 11.437 -1.604 -5.562
395 HB THR 50 HB THR 50 13.059 0.142 -6.303
396 HG1 THR 50 HG1 THR 50 12.723 1.260 -8.003
397 1HG2 THR 50 3HG2 THR 50 13.695 -2.210 -6.864
398 2HG2 THR 50 1HG2 THR 50 12.889 -2.051 -8.435
399 3HG2 THR 50 2HG2 THR 50 14.298 -1.052 -8.049
400 H THR 51 H THR 51 9.205 0.344 -7.477
401 HA THR 51 HA THR 51 9.555 2.660 -5.932
402 HB THR 51 HB THR 51 7.504 3.451 -7.165
403 HG1 THR 51 HG1 THR 51 6.290 1.736 -7.468
404 1HG2 THR 51 1HG2 THR 51 9.698 2.069 -8.776
405 2HG2 THR 51 2HG2 THR 51 8.538 3.221 -9.433
406 3HG2 THR 51 3HG2 THR 51 9.685 3.729 -8.178
407 H VAL 52 H VAL 52 8.095 3.761 -4.562
408 HA VAL 52 HA VAL 52 6.019 2.126 -3.248
409 HB VAL 52 HB VAL 52 6.770 4.008 -1.324
410 1HG1 VAL 52 1HG1 VAL 52 6.112 1.657 -0.988
411 2HG1 VAL 52 2HG1 VAL 52 7.674 1.143 -1.623
412 3HG1 VAL 52 3HG1 VAL 52 7.578 2.083 -0.097
413 1HG2 VAL 52 2HG2 VAL 52 8.919 4.513 -2.449
414 2HG2 VAL 52 3HG2 VAL 52 9.130 3.657 -0.895
415 3HG2 VAL 52 1HG2 VAL 52 9.349 2.786 -2.411
416 HA PRO 53 HA PRO 53 4.588 3.011 -1.325
417 1HB PRO 53 1HB PRO 53 1.883 3.214 -1.210
418 2HB PRO 53 2HB PRO 53 2.970 4.491 -0.593
419 1HG PRO 53 1HG PRO 53 1.539 4.380 -3.259
420 2HG PRO 53 2HG PRO 53 1.695 5.761 -2.133
421 1HD PRO 53 1HD PRO 53 3.334 5.336 -4.349
422 2HD PRO 53 2HD PRO 53 3.841 6.256 -2.904
423 H GLN 54 H GLN 54 3.187 0.996 -1.194
424 HA GLN 54 HA GLN 54 2.052 -0.038 -3.693
425 1HB GLN 54 1HB GLN 54 4.115 -1.613 -2.088
426 2HB GLN 54 2HB GLN 54 3.057 -2.228 -3.363
427 1HG GLN 54 1HG GLN 54 4.167 -0.502 -4.925
428 2HG GLN 54 2HG GLN 54 5.329 -0.230 -3.607
429 1HE2 GLN 54 2HE2 GLN 54 7.301 -2.709 -5.318
430 2HE2 GLN 54 1HE2 GLN 54 7.018 -1.007 -5.053
431 H ILE 55 H ILE 55 -0.011 -0.995 -3.046
432 HA ILE 55 HA ILE 55 -0.238 -1.507 -0.139
433 HB ILE 55 HB ILE 55 -2.417 -1.052 -2.208
434 1HG1 ILE 55 1HG1 ILE 55 -3.004 0.880 -0.648
435 2HG1 ILE 55 2HG1 ILE 55 -1.397 0.726 0.034
436 1HG2 ILE 55 2HG2 ILE 55 -2.573 -1.512 0.815
437 2HG2 ILE 55 3HG2 ILE 55 -3.949 -1.104 -0.219
438 3HG2 ILE 55 1HG2 ILE 55 -3.136 -2.641 -0.428
439 1HD1 ILE 55 2HD1 ILE 55 -1.844 1.207 -2.933
440 2HD1 ILE 55 3HD1 ILE 55 -1.818 2.526 -1.745
441 3HD1 ILE 55 1HD1 ILE 55 -0.385 1.524 -1.950
442 H PHE 56 H PHE 56 -1.012 -3.575 0.404
443 HA PHE 56 HA PHE 56 -1.354 -5.590 -1.713
444 1HB PHE 56 1HB PHE 56 0.387 -5.875 0.776
445 2HB PHE 56 2HB PHE 56 -0.198 -7.223 -0.176
446 HD1 PHE 56 HD1 PHE 56 1.954 -4.148 -0.397
447 HD2 PHE 56 HD2 PHE 56 1.022 -8.021 -2.058
448 HE1 PHE 56 HE1 PHE 56 4.052 -4.091 -1.748
449 HE2 PHE 56 HE2 PHE 56 3.111 -7.961 -3.363
450 HZ PHE 56 HZ PHE 56 4.663 -6.012 -3.179
451 H ILE 57 H ILE 57 -2.969 -7.092 -1.071
452 HA ILE 57 HA ILE 57 -4.169 -6.795 1.590
453 HB ILE 57 HB ILE 57 -5.837 -6.567 -0.932
454 1HG1 ILE 57 1HG1 ILE 57 -5.505 -4.669 1.433
455 2HG1 ILE 57 2HG1 ILE 57 -4.769 -4.437 -0.140
456 1HG2 ILE 57 1HG2 ILE 57 -6.517 -7.178 1.981
457 2HG2 ILE 57 2HG2 ILE 57 -7.705 -6.440 0.923
458 3HG2 ILE 57 3HG2 ILE 57 -7.045 -8.019 0.520
459 1HD1 ILE 57 1HD1 ILE 57 -7.084 -4.376 -1.164
460 2HD1 ILE 57 2HD1 ILE 57 -7.729 -4.307 0.492
461 3HD1 ILE 57 3HD1 ILE 57 -6.660 -3.027 -0.091
462 H ASP 58 H ASP 58 -4.466 -8.785 2.400
463 HA ASP 58 HA ASP 58 -4.364 -11.070 2.609
464 1HB ASP 58 1HB ASP 58 -6.402 -10.581 0.483
465 2HB ASP 58 2HB ASP 58 -6.213 -12.139 1.306
466 H ALA 59 H ALA 59 -2.326 -10.282 1.370
467 HA ALA 59 HA ALA 59 -0.389 -10.904 0.395
468 1HB ALA 59 1HB ALA 59 -0.885 -13.062 1.504
469 2HB ALA 59 2HB ALA 59 -1.633 -13.637 0.021
470 3HB ALA 59 3HB ALA 59 0.095 -13.237 0.038
471 H GLN 60 H GLN 60 -2.906 -10.131 -1.395
472 HA GLN 60 HA GLN 60 -1.637 -10.743 -4.026
473 1HB GLN 60 1HB GLN 60 -4.270 -9.387 -3.342
474 2HB GLN 60 2HB GLN 60 -3.672 -9.708 -4.957
475 1HG GLN 60 1HG GLN 60 -3.804 -12.140 -4.571
476 2HG GLN 60 2HG GLN 60 -4.314 -11.880 -2.902
477 1HE2 GLN 60 2HE2 GLN 60 -7.721 -11.746 -3.763
478 2HE2 GLN 60 1HE2 GLN 60 -6.447 -12.173 -2.649
479 H HIS 61 H HIS 61 -1.064 -8.932 -5.347
480 HA HIS 61 HA HIS 61 -0.190 -6.543 -3.830
481 1HB HIS 61 1HB HIS 61 1.364 -7.756 -5.397
482 2HB HIS 61 2HB HIS 61 0.252 -7.430 -6.727
483 HD1 HIS 61 HD1 HIS 61 1.215 -5.446 -8.147
484 HD2 HIS 61 HD2 HIS 61 1.795 -5.093 -3.969
485 HE1 HIS 61 HE1 HIS 61 2.824 -3.477 -7.783
486 HE2 HIS 61 HE2 HIS 61 3.222 -3.330 -5.215
487 H ILE 62 H ILE 62 -1.191 -4.505 -4.137
488 HA ILE 62 HA ILE 62 -3.532 -4.438 -5.921
489 HB ILE 62 HB ILE 62 -2.277 -2.125 -4.382
490 1HG1 ILE 62 1HG1 ILE 62 -2.869 -3.456 -2.664
491 2HG1 ILE 62 2HG1 ILE 62 -4.255 -2.409 -2.834
492 1HG2 ILE 62 1HG2 ILE 62 -4.915 -2.450 -5.838
493 2HG2 ILE 62 2HG2 ILE 62 -4.556 -1.117 -4.715
494 3HG2 ILE 62 3HG2 ILE 62 -3.619 -1.303 -6.192
495 1HD1 ILE 62 1HD1 ILE 62 -5.499 -4.211 -4.029
496 2HD1 ILE 62 2HD1 ILE 62 -4.138 -5.317 -3.727
497 3HD1 ILE 62 3HD1 ILE 62 -5.044 -4.643 -2.381
498 H GLY 63 H GLY 63 -0.806 -2.170 -5.594
499 1HA GLY 63 1HA GLY 63 0.593 -2.186 -7.906
500 2HA GLY 63 2HA GLY 63 -1.002 -1.536 -8.373
501 H GLY 64 H GLY 64 -0.484 0.586 -8.632
502 1HA GLY 64 1HA GLY 64 0.968 2.137 -6.650
503 2HA GLY 64 2HA GLY 64 0.179 2.701 -8.123
504 H TYR 65 H TYR 65 -0.183 4.342 -6.241
505 HA TYR 65 HA TYR 65 -2.410 3.982 -4.448
506 1HB TYR 65 1HB TYR 65 -0.647 5.642 -4.068
507 2HB TYR 65 2HB TYR 65 -0.969 6.341 -5.657
508 HD1 TYR 65 HD2 TYR 65 -3.816 5.609 -3.322
509 HD2 TYR 65 HD1 TYR 65 -1.039 8.527 -4.902
510 HE1 TYR 65 HE2 TYR 65 -5.277 7.438 -2.553
511 HE2 TYR 65 HE1 TYR 65 -2.498 10.331 -4.150
512 HH TYR 65 HH TYR 65 -4.731 10.782 -3.602
513 H ASP 66 H ASP 66 -2.003 5.362 -7.766
514 HA ASP 66 HA ASP 66 -4.706 6.228 -8.039
515 1HB ASP 66 1HB ASP 66 -2.956 5.212 -10.298
516 2HB ASP 66 2HB ASP 66 -4.288 6.319 -10.391
517 H ASP 67 H ASP 67 -3.042 3.210 -8.649
518 HA ASP 67 HA ASP 67 -5.203 1.705 -9.789
519 1HB ASP 67 1HB ASP 67 -2.860 0.646 -8.155
520 2HB ASP 67 2HB ASP 67 -3.980 -0.321 -9.081
521 H LEU 68 H LEU 68 -4.056 2.092 -6.349
522 HA LEU 68 HA LEU 68 -6.128 0.533 -5.194
523 1HB LEU 68 1HB LEU 68 -4.091 1.339 -3.927
524 2HB LEU 68 2HB LEU 68 -4.782 2.963 -3.955
525 HG LEU 68 HG LEU 68 -6.923 1.800 -2.846
526 1HD1 LEU 68 3HD1 LEU 68 -4.734 -0.184 -2.194
527 2HD1 LEU 68 1HD1 LEU 68 -6.311 -0.087 -1.382
528 3HD1 LEU 68 2HD1 LEU 68 -6.234 -0.510 -3.092
529 1HD2 LEU 68 3HD2 LEU 68 -4.411 2.369 -1.298
530 2HD2 LEU 68 1HD2 LEU 68 -5.696 3.499 -1.747
531 3HD2 LEU 68 2HD2 LEU 68 -6.055 2.175 -0.633
532 H TYR 69 H TYR 69 -5.994 4.068 -5.874
533 HA TYR 69 HA TYR 69 -8.478 4.827 -4.815
534 1HB TYR 69 1HB TYR 69 -6.993 6.480 -5.774
535 2HB TYR 69 2HB TYR 69 -7.058 5.753 -7.350
536 HD1 TYR 69 HD2 TYR 69 -9.304 7.439 -4.827
537 HD2 TYR 69 HD1 TYR 69 -8.755 6.199 -8.920
538 HE1 TYR 69 HE2 TYR 69 -11.377 8.650 -5.483
539 HE2 TYR 69 HE1 TYR 69 -10.806 7.377 -9.576
540 HH TYR 69 HH TYR 69 -12.983 8.871 -7.237
541 H ALA 70 H ALA 70 -7.794 3.548 -8.038
542 HA ALA 70 HA ALA 70 -10.535 3.659 -8.930
543 1HB ALA 70 2HB ALA 70 -8.563 3.435 -10.442
544 2HB ALA 70 3HB ALA 70 -8.330 1.769 -9.887
545 3HB ALA 70 1HB ALA 70 -9.807 2.204 -10.772
546 H LEU 71 H LEU 71 -8.615 1.193 -7.386
547 HA LEU 71 HA LEU 71 -10.497 -1.006 -7.208
548 1HB LEU 71 1HB LEU 71 -7.944 -0.962 -6.906
549 2HB LEU 71 2HB LEU 71 -8.261 -0.424 -5.273
550 HG LEU 71 HG LEU 71 -9.844 -2.791 -6.244
551 1HD1 LEU 71 3HD1 LEU 71 -7.538 -3.329 -6.988
552 2HD1 LEU 71 1HD1 LEU 71 -6.961 -3.013 -5.334
553 3HD1 LEU 71 2HD1 LEU 71 -8.089 -4.355 -5.641
554 1HD2 LEU 71 1HD2 LEU 71 -10.045 -1.707 -4.028
555 2HD2 LEU 71 2HD2 LEU 71 -9.673 -3.433 -3.974
556 3HD2 LEU 71 3HD2 LEU 71 -8.402 -2.203 -3.647
557 H ASP 72 H ASP 72 -9.847 1.764 -5.075
558 HA ASP 72 HA ASP 72 -11.683 0.896 -3.045
559 1HB ASP 72 1HB ASP 72 -9.711 2.249 -2.521
560 2HB ASP 72 2HB ASP 72 -10.301 3.558 -3.552
561 H ALA 73 H ALA 73 -11.782 3.571 -5.440
562 HA ALA 73 HA ALA 73 -14.325 4.468 -4.645
563 1HB ALA 73 3HB ALA 73 -12.715 5.881 -5.845
564 2HB ALA 73 1HB ALA 73 -12.872 4.868 -7.293
565 3HB ALA 73 2HB ALA 73 -14.258 5.828 -6.719
566 H ARG 74 H ARG 74 -13.517 1.801 -6.734
567 HA ARG 74 HA ARG 74 -16.249 1.568 -7.779
568 1HB ARG 74 1HB ARG 74 -15.466 -0.117 -9.058
569 2HB ARG 74 2HB ARG 74 -14.060 0.902 -8.927
570 1HG ARG 74 1HG ARG 74 -13.154 -0.680 -7.179
571 2HG ARG 74 2HG ARG 74 -14.517 -1.758 -7.468
572 1HD ARG 74 1HD ARG 74 -13.857 -1.632 -9.983
573 2HD ARG 74 2HD ARG 74 -12.405 -0.806 -9.459
574 HE ARG 74 HE ARG 74 -11.484 -2.765 -8.760
575 1HH1 ARG 74 2HH2 ARG 74 -14.894 -3.423 -9.689
576 2HH1 ARG 74 1HH2 ARG 74 -14.573 -5.115 -9.906
577 1HH2 ARG 74 2HH1 ARG 74 -11.207 -5.027 -9.070
578 2HH2 ARG 74 1HH1 ARG 74 -12.541 -5.994 -9.661
579 H GLY 75 H GLY 75 -14.812 0.944 -4.819
580 1HA GLY 75 1HA GLY 75 -15.667 -0.079 -2.943
581 2HA GLY 75 2HA GLY 75 -17.044 -0.661 -3.895
582 H GLY 76 H GLY 76 -13.559 -1.282 -4.708
583 1HA GLY 76 1HA GLY 76 -14.067 -4.188 -4.431
584 2HA GLY 76 2HA GLY 76 -12.780 -3.395 -5.349
585 H LEU 77 H LEU 77 -12.302 -1.457 -2.971
586 HA LEU 77 HA LEU 77 -10.319 -3.126 -1.616
587 1HB LEU 77 1HB LEU 77 -10.094 -0.599 -2.107
588 2HB LEU 77 2HB LEU 77 -11.227 -0.317 -0.820
589 HG LEU 77 HG LEU 77 -8.408 -1.370 -0.645
590 1HD1 LEU 77 2HD1 LEU 77 -8.816 1.067 -0.760
591 2HD1 LEU 77 3HD1 LEU 77 -9.897 0.963 0.638
592 3HD1 LEU 77 1HD1 LEU 77 -8.165 0.612 0.824
593 1HD2 LEU 77 3HD2 LEU 77 -10.424 -1.362 1.642
594 2HD2 LEU 77 1HD2 LEU 77 -9.463 -2.738 1.040
595 3HD2 LEU 77 2HD2 LEU 77 -8.660 -1.417 1.858
596 H ASP 78 H ASP 78 -13.383 -1.515 -0.875
597 HA ASP 78 HA ASP 78 -13.478 -1.977 1.828
598 1HB ASP 78 1HB ASP 78 -15.063 -0.517 0.864
599 2HB ASP 78 2HB ASP 78 -15.764 -1.772 -0.152
600 HA PRO 79 HA PRO 79 -15.471 -6.270 1.565
601 1HB PRO 79 1HB PRO 79 -15.763 -7.666 -0.759
602 2HB PRO 79 2HB PRO 79 -16.947 -6.447 -0.199
603 1HG PRO 79 1HG PRO 79 -14.655 -6.028 -2.161
604 2HG PRO 79 2HG PRO 79 -16.385 -5.603 -2.386
605 1HD PRO 79 1HD PRO 79 -14.596 -3.775 -1.545
606 2HD PRO 79 2HD PRO 79 -16.241 -3.837 -0.839
607 H LEU 80 H LEU 80 -12.578 -5.497 -0.351
608 HA LEU 80 HA LEU 80 -11.441 -8.194 -0.034
609 1HB LEU 80 1HB LEU 80 -10.420 -5.538 -1.058
610 2HB LEU 80 2HB LEU 80 -9.270 -6.740 -0.525
611 HG LEU 80 HG LEU 80 -11.306 -7.240 -2.712
612 1HD1 LEU 80 1HD1 LEU 80 -8.323 -6.669 -2.809
613 2HD1 LEU 80 2HD1 LEU 80 -9.326 -7.146 -4.197
614 3HD1 LEU 80 3HD1 LEU 80 -9.622 -5.607 -3.376
615 1HD2 LEU 80 3HD2 LEU 80 -9.050 -8.920 -1.529
616 2HD2 LEU 80 1HD2 LEU 80 -10.757 -9.373 -1.691
617 3HD2 LEU 80 2HD2 LEU 80 -9.742 -9.241 -3.125
618 H LEU 81 H LEU 81 -11.608 -5.228 1.803
619 HA LEU 81 HA LEU 81 -9.424 -5.359 3.457
620 1HB LEU 81 1HB LEU 81 -11.054 -3.523 3.321
621 2HB LEU 81 2HB LEU 81 -12.280 -4.508 4.091
622 HG LEU 81 HG LEU 81 -11.274 -2.715 5.467
623 1HD1 LEU 81 1HD1 LEU 81 -12.481 -4.670 6.483
624 2HD1 LEU 81 2HD1 LEU 81 -10.893 -5.394 6.831
625 3HD1 LEU 81 3HD1 LEU 81 -11.335 -3.844 7.538
626 1HD2 LEU 81 3HD2 LEU 81 -8.924 -3.066 4.728
627 2HD2 LEU 81 1HD2 LEU 81 -9.118 -2.962 6.476
628 3HD2 LEU 81 2HD2 LEU 81 -8.868 -4.546 5.733
629 H LYS 82 H LYS 82 -12.604 -6.833 4.156
630 HA LYS 82 HA LYS 82 -12.353 -7.477 6.723
631 1HB LYS 82 1HB LYS 82 -14.176 -8.994 6.383
632 2HB LYS 82 2HB LYS 82 -14.374 -7.539 5.422
633 1HG LYS 82 1HG LYS 82 -13.341 -8.937 3.473
634 2HG LYS 82 2HG LYS 82 -13.675 -10.332 4.517
635 1HD LYS 82 1HD LYS 82 -16.042 -9.838 4.524
636 2HD LYS 82 2HD LYS 82 -15.791 -8.318 3.670
637 1HE LYS 82 1HE LYS 82 -16.655 -10.211 2.245
638 2HE LYS 82 2HE LYS 82 -15.238 -9.380 1.625
639 1HZ LYS 82 1HZ LYS 82 -13.871 -11.205 2.420
640 2HZ LYS 82 2HZ LYS 82 -15.240 -11.978 2.987
641 3HZ LYS 82 3HZ LYS 82 -15.050 -11.731 1.388
642 1HB2 GTT 83 1HB2 GTT 83 8.540 6.766 -3.156
643 2HB2 GTT 83 2HB2 GTT 83 9.893 7.906 -3.391
644 HA2 GTT 83 HA2 GTT 83 9.401 8.046 -5.798
645 HN2 GTT 83 HN2 GTT 83 7.276 6.074 -5.457
646 1HG1 GTT 83 1HG1 GTT 83 4.684 7.256 -6.337
647 2HG1 GTT 83 2HG1 GTT 83 5.739 5.919 -6.760
648 1HB1 GTT 83 1HB1 GTT 83 6.257 7.314 -8.929
649 2HB1 GTT 83 2HB1 GTT 83 4.764 8.165 -8.534
650 HA1 GTT 83 HA1 GTT 83 3.628 5.893 -8.376
651 1HN1 GTT 83 1HN1 GTT 83 4.876 4.229 -9.776
652 2HN1 GTT 83 2HN1 GTT 83 6.208 5.077 -9.454
653 3HN1 GTT 83 3HN1 GTT 83 5.366 4.373 -8.194
654 HN3 GTT 83 HN3 GTT 83 11.520 6.621 -4.909
655 1HA3 GTT 83 1HA3 GTT 83 11.026 3.760 -4.764
656 2HA3 GTT 83 2HA3 GTT 83 11.720 4.269 -6.313
No H/Q in entry = 656
Start of MODEL 9
1 1H ALA 1 1H ALA 1 -8.862 -10.169 6.387
2 2H ALA 1 2H ALA 1 -9.985 -9.667 5.303
3 3H ALA 1 3H ALA 1 -8.494 -10.194 4.779
4 HA ALA 1 HA ALA 1 -8.441 -7.923 4.580
5 1HB ALA 1 1HB ALA 1 -9.365 -7.788 7.479
6 2HB ALA 1 2HB ALA 1 -8.840 -6.415 6.497
7 3HB ALA 1 3HB ALA 1 -10.301 -7.312 6.049
8 H ASN 2 H ASN 2 -6.336 -7.906 4.304
9 HA ASN 2 HA ASN 2 -4.538 -7.770 6.682
10 1HB ASN 2 1HB ASN 2 -4.605 -10.139 5.745
11 2HB ASN 2 2HB ASN 2 -3.949 -9.504 4.246
12 1HD2 ASN 2 2HD2 ASN 2 -0.675 -8.726 5.817
13 2HD2 ASN 2 1HD2 ASN 2 -1.912 -7.855 4.954
14 H VAL 3 H VAL 3 -5.058 -5.402 5.892
15 HA VAL 3 HA VAL 3 -3.915 -4.622 3.331
16 HB VAL 3 HB VAL 3 -4.837 -2.896 5.664
17 1HG1 VAL 3 2HG1 VAL 3 -3.445 -1.701 3.990
18 2HG1 VAL 3 3HG1 VAL 3 -4.505 -2.258 2.690
19 3HG1 VAL 3 1HG1 VAL 3 -5.127 -1.153 3.926
20 1HG2 VAL 3 1HG2 VAL 3 -6.734 -4.301 4.935
21 2HG2 VAL 3 2HG2 VAL 3 -6.961 -2.595 4.562
22 3HG2 VAL 3 3HG2 VAL 3 -6.515 -3.715 3.266
23 H GLU 4 H GLU 4 -1.717 -4.315 3.069
24 HA GLU 4 HA GLU 4 -0.248 -3.081 5.312
25 1HB GLU 4 1HB GLU 4 1.070 -5.229 3.625
26 2HB GLU 4 2HB GLU 4 1.691 -4.370 5.038
27 1HG GLU 4 1HG GLU 4 -0.228 -5.477 6.368
28 2HG GLU 4 2HG GLU 4 -0.500 -6.453 4.931
29 H ILE 5 H ILE 5 1.320 -1.575 4.586
30 HA ILE 5 HA ILE 5 1.388 -0.959 1.705
31 HB ILE 5 HB ILE 5 -0.533 0.250 2.344
32 1HG1 ILE 5 1HG1 ILE 5 1.808 2.160 2.468
33 2HG1 ILE 5 2HG1 ILE 5 1.311 1.390 0.984
34 1HG2 ILE 5 3HG2 ILE 5 -0.158 0.241 4.868
35 2HG2 ILE 5 1HG2 ILE 5 0.952 1.609 4.629
36 3HG2 ILE 5 2HG2 ILE 5 -0.751 1.754 4.190
37 1HD1 ILE 5 1HD1 ILE 5 -0.929 2.570 1.238
38 2HD1 ILE 5 2HD1 ILE 5 -0.227 3.430 2.629
39 3HD1 ILE 5 3HD1 ILE 5 0.481 3.634 1.027
40 H TYR 6 H TYR 6 3.408 -0.790 1.206
41 HA TYR 6 HA TYR 6 5.474 -0.176 3.216
42 1HB TYR 6 1HB TYR 6 5.427 -1.065 0.325
43 2HB TYR 6 2HB TYR 6 6.875 -0.369 1.031
44 HD1 TYR 6 HD1 TYR 6 7.959 -1.369 2.962
45 HD2 TYR 6 HD2 TYR 6 4.835 -3.430 0.886
46 HE1 TYR 6 HE1 TYR 6 9.002 -3.515 3.609
47 HE2 TYR 6 HE2 TYR 6 5.806 -5.620 1.574
48 HH TYR 6 HH TYR 6 9.101 -5.745 2.649
49 H THR 7 H THR 7 6.439 1.837 3.459
50 HA THR 7 HA THR 7 6.241 3.798 1.282
51 HB THR 7 HB THR 7 5.501 5.516 2.959
52 HG1 THR 7 HG1 THR 7 5.585 4.623 4.912
53 1HG2 THR 7 2HG2 THR 7 3.970 4.412 1.223
54 2HG2 THR 7 3HG2 THR 7 3.416 3.375 2.545
55 3HG2 THR 7 1HG2 THR 7 3.130 5.114 2.606
56 H LYS 8 H LYS 8 7.700 5.694 1.722
57 HA LYS 8 HA LYS 8 9.547 5.245 3.981
58 1HB LYS 8 1HB LYS 8 11.494 5.679 2.817
59 2HB LYS 8 2HB LYS 8 10.664 4.488 1.849
60 1HG LYS 8 1HG LYS 8 10.067 6.176 0.193
61 2HG LYS 8 2HG LYS 8 10.755 7.445 1.223
62 1HD LYS 8 1HD LYS 8 12.970 6.367 1.121
63 2HD LYS 8 2HD LYS 8 12.332 5.125 0.018
64 1HE LYS 8 1HE LYS 8 11.945 6.732 -1.718
65 2HE LYS 8 2HE LYS 8 12.050 8.084 -0.591
66 1HZ LYS 8 3HZ LYS 8 14.417 7.554 -0.307
67 2HZ LYS 8 1HZ LYS 8 14.279 6.420 -1.529
68 3HZ LYS 8 2HZ LYS 8 13.987 8.005 -1.834
69 H GLU 9 H GLU 9 10.810 7.332 4.405
70 HA GLU 9 HA GLU 9 8.909 9.319 4.968
71 1HB GLU 9 1HB GLU 9 11.570 8.662 5.744
72 2HB GLU 9 2HB GLU 9 11.688 10.297 5.106
73 1HG GLU 9 1HG GLU 9 9.780 9.333 7.270
74 2HG GLU 9 2HG GLU 9 11.254 10.264 7.533
75 H THR 10 H THR 10 9.092 11.609 4.479
76 HA THR 10 HA THR 10 8.858 13.365 3.282
77 HB THR 10 HB THR 10 11.314 13.255 3.638
78 HG1 THR 10 HG1 THR 10 11.676 14.999 2.116
79 1HG2 THR 10 2HG2 THR 10 11.353 12.444 0.710
80 2HG2 THR 10 3HG2 THR 10 12.710 13.259 1.507
81 3HG2 THR 10 1HG2 THR 10 12.173 11.701 2.110
82 H CYS 11 H CYS 11 8.594 10.544 1.534
83 HA CYS 11 HA CYS 11 7.952 11.604 -1.075
84 1HB CYS 11 1HB CYS 11 7.311 9.006 0.361
85 2HB CYS 11 2HB CYS 11 7.064 9.277 -1.374
86 HA PRO 12 HA PRO 12 3.922 12.907 0.739
87 1HB PRO 12 1HB PRO 12 2.845 14.199 -1.387
88 2HB PRO 12 2HB PRO 12 4.004 14.970 -0.263
89 1HG PRO 12 1HG PRO 12 4.577 13.737 -2.965
90 2HG PRO 12 2HG PRO 12 5.207 15.276 -2.301
91 1HD PRO 12 1HD PRO 12 6.687 12.990 -2.259
92 2HD PRO 12 2HD PRO 12 6.734 14.160 -0.904
93 H TYR 13 H TYR 13 4.394 11.448 -2.502
94 HA TYR 13 HA TYR 13 1.913 10.309 -3.050
95 1HB TYR 13 1HB TYR 13 4.284 10.375 -4.207
96 2HB TYR 13 2HB TYR 13 4.581 8.880 -3.372
97 HD1 TYR 13 HD1 TYR 13 2.218 7.229 -3.814
98 HD2 TYR 13 HD2 TYR 13 4.059 10.112 -6.447
99 HE1 TYR 13 HE1 TYR 13 1.726 5.791 -5.761
100 HE2 TYR 13 HE2 TYR 13 3.417 8.744 -8.387
101 HH TYR 13 HH TYR 13 2.746 6.627 -9.048
102 H SER 14 H SER 14 4.306 9.239 -0.587
103 HA SER 14 HA SER 14 2.902 6.785 0.051
104 1HB SER 14 1HB SER 14 4.928 6.573 0.981
105 2HB SER 14 2HB SER 14 5.203 8.297 1.121
106 HG SER 14 HG SER 14 4.747 8.173 3.137
107 H HIS 15 H HIS 15 2.933 10.099 1.443
108 HA HIS 15 HA HIS 15 1.042 9.380 3.505
109 1HB HIS 15 1HB HIS 15 1.815 12.130 2.425
110 2HB HIS 15 2HB HIS 15 0.838 11.831 3.851
111 HD1 HIS 15 HD1 HIS 15 2.073 11.191 6.122
112 HD2 HIS 15 HD2 HIS 15 4.515 11.730 2.704
113 HE1 HIS 15 HE1 HIS 15 4.475 11.414 6.949
114 HE2 HIS 15 HE2 HIS 15 5.936 11.822 4.885
115 H ARG 16 H ARG 16 0.657 10.749 0.281
116 HA ARG 16 HA ARG 16 -2.093 11.295 0.173
117 1HB ARG 16 1HB ARG 16 -0.044 10.226 -1.807
118 2HB ARG 16 2HB ARG 16 -1.688 10.516 -2.294
119 1HG ARG 16 1HG ARG 16 -1.529 12.887 -1.596
120 2HG ARG 16 2HG ARG 16 0.127 12.636 -1.083
121 1HD ARG 16 1HD ARG 16 0.235 13.630 -3.260
122 2HD ARG 16 2HD ARG 16 0.729 11.963 -3.444
123 HE ARG 16 HE ARG 16 -0.958 11.705 -4.955
124 1HH1 ARG 16 2HH2 ARG 16 -1.618 14.671 -3.200
125 2HH1 ARG 16 1HH2 ARG 16 -3.244 14.839 -3.748
126 1HH2 ARG 16 2HH1 ARG 16 -3.250 11.800 -5.650
127 2HH2 ARG 16 1HH1 ARG 16 -4.004 13.335 -5.431
128 H ALA 17 H ALA 17 -0.478 8.073 -0.323
129 HA ALA 17 HA ALA 17 -2.965 6.712 -0.632
130 1HB ALA 17 3HB ALA 17 -0.791 5.806 -1.402
131 2HB ALA 17 1HB ALA 17 -0.273 5.638 0.287
132 3HB ALA 17 2HB ALA 17 -1.631 4.667 -0.329
133 H LYS 18 H LYS 18 -1.347 7.779 2.249
134 HA LYS 18 HA LYS 18 -2.945 6.040 4.042
135 1HB LYS 18 1HB LYS 18 -1.146 8.434 4.598
136 2HB LYS 18 2HB LYS 18 -2.230 7.754 5.802
137 1HG LYS 18 1HG LYS 18 -0.185 6.760 6.209
138 2HG LYS 18 2HG LYS 18 -1.189 5.528 5.471
139 1HD LYS 18 1HD LYS 18 0.001 5.549 3.440
140 2HD LYS 18 2HD LYS 18 0.672 7.159 3.749
141 1HE LYS 18 1HE LYS 18 1.349 5.147 5.799
142 2HE LYS 18 2HE LYS 18 2.018 4.775 4.213
143 1HZ LYS 18 2HZ LYS 18 2.320 7.427 5.472
144 2HZ LYS 18 3HZ LYS 18 3.395 6.197 5.716
145 3HZ LYS 18 1HZ LYS 18 3.184 6.813 4.198
146 H ALA 19 H ALA 19 -2.989 9.515 3.066
147 HA ALA 19 HA ALA 19 -5.368 10.153 4.445
148 1HB ALA 19 1HB ALA 19 -4.354 11.196 1.764
149 2HB ALA 19 2HB ALA 19 -5.591 11.969 2.773
150 3HB ALA 19 3HB ALA 19 -3.922 11.834 3.369
151 H LEU 20 H LEU 20 -4.927 8.340 1.484
152 HA LEU 20 HA LEU 20 -7.709 8.337 0.663
153 1HB LEU 20 1HB LEU 20 -5.967 7.863 -0.867
154 2HB LEU 20 2HB LEU 20 -5.373 6.490 0.031
155 HG LEU 20 HG LEU 20 -6.649 6.101 -2.140
156 1HD1 LEU 20 3HD1 LEU 20 -6.142 4.264 -0.547
157 2HD1 LEU 20 1HD1 LEU 20 -7.758 4.488 0.172
158 3HD1 LEU 20 2HD1 LEU 20 -7.595 4.018 -1.526
159 1HD2 LEU 20 3HD2 LEU 20 -8.551 7.585 -1.688
160 2HD2 LEU 20 1HD2 LEU 20 -9.063 5.921 -2.048
161 3HD2 LEU 20 2HD2 LEU 20 -9.077 6.510 -0.380
162 H LEU 21 H LEU 21 -5.745 5.788 2.260
163 HA LEU 21 HA LEU 21 -7.990 4.140 2.913
164 1HB LEU 21 1HB LEU 21 -5.122 4.367 3.793
165 2HB LEU 21 2HB LEU 21 -6.188 3.356 4.750
166 HG LEU 21 HG LEU 21 -6.314 3.013 1.751
167 1HD1 LEU 21 1HD1 LEU 21 -4.049 1.924 3.433
168 2HD1 LEU 21 2HD1 LEU 21 -4.436 1.425 1.785
169 3HD1 LEU 21 3HD1 LEU 21 -3.941 3.093 2.066
170 1HD2 LEU 21 1HD2 LEU 21 -6.415 1.051 4.085
171 2HD2 LEU 21 2HD2 LEU 21 -7.809 1.705 3.198
172 3HD2 LEU 21 3HD2 LEU 21 -6.655 0.641 2.378
173 H SER 22 H SER 22 -6.462 6.755 4.757
174 HA SER 22 HA SER 22 -8.016 6.543 7.121
175 1HB SER 22 1HB SER 22 -5.921 7.794 6.988
176 2HB SER 22 2HB SER 22 -6.604 8.882 5.771
177 HG SER 22 HG SER 22 -7.778 8.636 8.337
178 H SER 23 H SER 23 -8.575 8.409 4.007
179 HA SER 23 HA SER 23 -10.992 9.589 4.742
180 1HB SER 23 1HB SER 23 -9.538 9.752 2.538
181 2HB SER 23 2HB SER 23 -10.591 8.472 1.967
182 HG SER 23 HG SER 23 -12.018 9.978 1.658
183 H LYS 24 H LYS 24 -10.352 6.245 3.802
184 HA LYS 24 HA LYS 24 -13.245 5.590 3.782
185 1HB LYS 24 1HB LYS 24 -10.691 4.158 2.982
186 2HB LYS 24 2HB LYS 24 -12.203 3.272 3.196
187 1HG LYS 24 1HG LYS 24 -11.859 3.833 0.871
188 2HG LYS 24 2HG LYS 24 -13.330 4.563 1.523
189 1HD LYS 24 1HD LYS 24 -12.168 6.763 1.628
190 2HD LYS 24 2HD LYS 24 -10.690 5.981 1.037
191 1HE LYS 24 1HE LYS 24 -11.818 7.283 -0.672
192 2HE LYS 24 2HE LYS 24 -11.738 5.572 -1.101
193 1HZ LYS 24 2HZ LYS 24 -14.099 6.956 0.036
194 2HZ LYS 24 3HZ LYS 24 -13.923 6.495 -1.532
195 3HZ LYS 24 1HZ LYS 24 -14.032 5.362 -0.362
196 H GLY 25 H GLY 25 -11.032 6.013 6.186
197 1HA GLY 25 1HA GLY 25 -11.065 5.512 8.405
198 2HA GLY 25 2HA GLY 25 -12.663 4.804 8.151
199 H VAL 26 H VAL 26 -9.633 3.658 6.555
200 HA VAL 26 HA VAL 26 -10.218 1.014 7.798
201 HB VAL 26 HB VAL 26 -8.359 1.340 5.475
202 1HG1 VAL 26 1HG1 VAL 26 -8.694 -0.869 6.502
203 2HG1 VAL 26 2HG1 VAL 26 -10.444 -0.740 6.224
204 3HG1 VAL 26 3HG1 VAL 26 -9.312 -0.839 4.852
205 1HG2 VAL 26 1HG2 VAL 26 -11.386 1.405 5.159
206 2HG2 VAL 26 2HG2 VAL 26 -10.216 2.646 4.641
207 3HG2 VAL 26 3HG2 VAL 26 -10.225 1.074 3.848
208 H SER 27 H SER 27 -8.622 -0.156 8.814
209 HA SER 27 HA SER 27 -6.148 1.163 9.661
210 1HB SER 27 1HB SER 27 -7.088 -1.706 10.040
211 2HB SER 27 2HB SER 27 -5.749 -0.892 10.877
212 HG SER 27 HG SER 27 -7.195 0.519 11.808
213 H PHE 28 H PHE 28 -4.021 0.079 9.242
214 HA PHE 28 HA PHE 28 -3.695 -1.759 7.105
215 1HB PHE 28 1HB PHE 28 -2.451 -0.133 5.604
216 2HB PHE 28 2HB PHE 28 -4.185 0.109 5.642
217 HD1 PHE 28 HD2 PHE 28 -0.941 1.535 6.845
218 HD2 PHE 28 HD1 PHE 28 -5.200 2.105 6.474
219 HE1 PHE 28 HE2 PHE 28 -0.685 3.915 7.462
220 HE2 PHE 28 HE1 PHE 28 -4.939 4.484 7.129
221 HZ PHE 28 HZ PHE 28 -2.684 5.390 7.641
222 H GLN 29 H GLN 29 -1.452 -2.378 7.042
223 HA GLN 29 HA GLN 29 0.066 -1.660 9.423
224 1HB GLN 29 1HB GLN 29 -0.610 -4.096 8.531
225 2HB GLN 29 2HB GLN 29 0.850 -3.900 7.569
226 1HG GLN 29 1HG GLN 29 2.216 -3.708 9.537
227 2HG GLN 29 2HG GLN 29 0.805 -3.415 10.565
228 1HE2 GLN 29 2HE2 GLN 29 1.267 -7.317 9.237
229 2HE2 GLN 29 1HE2 GLN 29 1.774 -6.033 8.180
230 H GLU 30 H GLU 30 0.871 0.183 8.834
231 HA GLU 30 HA GLU 30 2.192 0.819 6.298
232 1HB GLU 30 1HB GLU 30 1.456 2.454 8.277
233 2HB GLU 30 2HB GLU 30 3.120 2.097 8.820
234 1HG GLU 30 1HG GLU 30 4.040 2.906 6.712
235 2HG GLU 30 2HG GLU 30 2.415 3.246 6.110
236 H LEU 31 H LEU 31 4.275 0.591 5.771
237 HA LEU 31 HA LEU 31 6.106 -1.037 7.504
238 1HB LEU 31 1HB LEU 31 5.667 -1.647 4.615
239 2HB LEU 31 2HB LEU 31 6.700 -2.489 5.749
240 HG LEU 31 HG LEU 31 3.661 -2.355 5.786
241 1HD1 LEU 31 1HD1 LEU 31 5.659 -4.475 5.000
242 2HD1 LEU 31 2HD1 LEU 31 3.896 -4.713 5.124
243 3HD1 LEU 31 3HD1 LEU 31 4.550 -3.562 3.943
244 1HD2 LEU 31 1HD2 LEU 31 4.588 -2.777 8.118
245 2HD2 LEU 31 2HD2 LEU 31 3.638 -4.100 7.451
246 3HD2 LEU 31 3HD2 LEU 31 5.403 -4.205 7.477
247 HA PRO 32 HA PRO 32 8.330 2.688 5.993
248 1HB PRO 32 1HB PRO 32 10.232 1.872 8.154
249 2HB PRO 32 2HB PRO 32 9.458 3.452 7.882
250 1HG PRO 32 1HG PRO 32 8.668 1.741 9.875
251 2HG PRO 32 2HG PRO 32 7.508 2.811 9.023
252 1HD PRO 32 1HD PRO 32 8.003 -0.152 8.637
253 2HD PRO 32 2HD PRO 32 6.476 0.752 8.584
254 H ILE 33 H ILE 33 9.953 2.755 4.487
255 HA ILE 33 HA ILE 33 12.109 0.685 4.486
256 HB ILE 33 HB ILE 33 11.992 0.647 2.021
257 1HG1 ILE 33 1HG1 ILE 33 9.261 1.128 1.498
258 2HG1 ILE 33 2HG1 ILE 33 9.879 2.552 2.314
259 1HG2 ILE 33 3HG2 ILE 33 9.719 -0.448 3.605
260 2HG2 ILE 33 1HG2 ILE 33 10.182 -0.987 1.960
261 3HG2 ILE 33 2HG2 ILE 33 11.317 -1.171 3.316
262 1HD1 ILE 33 1HD1 ILE 33 11.825 2.581 0.695
263 2HD1 ILE 33 2HD1 ILE 33 10.942 1.331 -0.228
264 3HD1 ILE 33 3HD1 ILE 33 10.245 2.933 0.018
265 H ASP 34 H ASP 34 11.860 3.822 5.120
266 HA ASP 34 HA ASP 34 13.894 4.718 3.244
267 1HB ASP 34 1HB ASP 34 12.584 6.454 4.516
268 2HB ASP 34 2HB ASP 34 13.212 5.810 6.033
269 H GLY 35 H GLY 35 16.039 4.061 3.351
270 1HA GLY 35 1HA GLY 35 18.040 3.347 4.184
271 2HA GLY 35 2HA GLY 35 17.450 3.655 5.810
272 H ASN 36 H ASN 36 15.158 1.737 5.389
273 HA ASN 36 HA ASN 36 16.506 -0.806 6.009
274 1HB ASN 36 1HB ASN 36 14.619 -0.576 7.344
275 2HB ASN 36 2HB ASN 36 13.688 0.245 6.095
276 1HD2 ASN 36 2HD2 ASN 36 11.973 -2.660 5.230
277 2HD2 ASN 36 1HD2 ASN 36 11.850 -1.041 5.872
278 H ALA 37 H ALA 37 17.613 -1.213 4.113
279 HA ALA 37 HA ALA 37 16.258 -1.237 1.536
280 1HB ALA 37 1HB ALA 37 18.651 -0.606 1.814
281 2HB ALA 37 2HB ALA 37 19.005 -2.267 2.330
282 3HB ALA 37 3HB ALA 37 18.434 -1.950 0.684
283 H ALA 38 H ALA 38 16.967 -3.509 4.059
284 HA ALA 38 HA ALA 38 16.843 -5.923 2.606
285 1HB ALA 38 1HB ALA 38 17.731 -5.733 4.873
286 2HB ALA 38 2HB ALA 38 16.112 -5.396 5.518
287 3HB ALA 38 3HB ALA 38 16.472 -6.983 4.797
288 H LYS 39 H LYS 39 14.211 -4.650 4.716
289 HA LYS 39 HA LYS 39 12.366 -6.485 3.477
290 1HB LYS 39 1HB LYS 39 12.382 -5.025 5.863
291 2HB LYS 39 2HB LYS 39 11.114 -4.236 4.911
292 1HG LYS 39 1HG LYS 39 10.100 -6.534 4.513
293 2HG LYS 39 2HG LYS 39 11.353 -7.208 5.559
294 1HD LYS 39 1HD LYS 39 9.357 -6.944 6.878
295 2HD LYS 39 2HD LYS 39 10.535 -5.747 7.428
296 1HE LYS 39 1HE LYS 39 9.438 -4.000 6.092
297 2HE LYS 39 2HE LYS 39 8.262 -5.172 5.466
298 1HZ LYS 39 1HZ LYS 39 8.485 -4.879 8.360
299 2HZ LYS 39 2HZ LYS 39 7.793 -3.655 7.554
300 3HZ LYS 39 3HZ LYS 39 7.169 -5.186 7.419
301 H ARG 40 H ARG 40 13.471 -3.321 2.544
302 HA ARG 40 HA ARG 40 11.280 -2.675 0.790
303 1HB ARG 40 1HB ARG 40 13.051 -1.093 1.542
304 2HB ARG 40 2HB ARG 40 14.250 -1.988 0.628
305 1HG ARG 40 1HG ARG 40 13.104 -1.466 -1.467
306 2HG ARG 40 2HG ARG 40 11.779 -0.704 -0.566
307 1HD ARG 40 1HD ARG 40 13.297 1.009 -1.472
308 2HD ARG 40 2HD ARG 40 13.331 1.008 0.290
309 HE ARG 40 HE ARG 40 15.411 -0.469 -1.248
310 1HH1 ARG 40 2HH2 ARG 40 14.694 1.882 1.432
311 2HH1 ARG 40 1HH2 ARG 40 16.349 2.380 1.484
312 1HH2 ARG 40 2HH1 ARG 40 17.539 0.226 -1.000
313 2HH2 ARG 40 1HH1 ARG 40 17.947 1.271 0.366
314 H GLU 41 H GLU 41 14.427 -4.491 0.329
315 HA GLU 41 HA GLU 41 13.871 -4.989 -2.422
316 1HB GLU 41 1HB GLU 41 16.070 -4.973 -1.361
317 2HB GLU 41 2HB GLU 41 15.701 -6.418 -0.458
318 1HG GLU 41 1HG GLU 41 15.643 -6.263 -3.507
319 2HG GLU 41 2HG GLU 41 17.125 -6.572 -2.613
320 H GLU 42 H GLU 42 12.971 -6.681 0.584
321 HA GLU 42 HA GLU 42 11.672 -8.916 -0.607
322 1HB GLU 42 1HB GLU 42 12.154 -8.587 1.852
323 2HB GLU 42 2HB GLU 42 10.874 -7.391 1.900
324 1HG GLU 42 1HG GLU 42 9.904 -9.339 2.742
325 2HG GLU 42 2HG GLU 42 9.238 -9.164 1.122
326 H MET 43 H MET 43 10.381 -5.591 0.108
327 HA MET 43 HA MET 43 7.754 -6.059 -0.949
328 1HB MET 43 1HB MET 43 8.380 -3.939 0.315
329 2HB MET 43 2HB MET 43 9.478 -3.506 -0.949
330 1HG MET 43 1HG MET 43 7.400 -3.512 -2.531
331 2HG MET 43 2HG MET 43 6.493 -3.419 -1.035
332 1HE MET 43 1HE MET 43 8.668 -1.720 -3.716
333 2HE MET 43 2HE MET 43 9.215 -0.204 -2.972
334 3HE MET 43 3HE MET 43 9.926 -1.744 -2.453
335 H ILE 44 H ILE 44 10.777 -4.961 -2.549
336 HA ILE 44 HA ILE 44 9.566 -4.426 -5.037
337 HB ILE 44 HB ILE 44 12.422 -5.194 -4.311
338 1HG1 ILE 44 1HG1 ILE 44 11.108 -2.529 -5.033
339 2HG1 ILE 44 2HG1 ILE 44 11.498 -3.032 -3.418
340 1HG2 ILE 44 2HG2 ILE 44 11.360 -4.193 -6.985
341 2HG2 ILE 44 3HG2 ILE 44 13.077 -4.372 -6.561
342 3HG2 ILE 44 1HG2 ILE 44 12.046 -5.790 -6.671
343 1HD1 ILE 44 2HD1 ILE 44 13.929 -3.122 -4.024
344 2HD1 ILE 44 3HD1 ILE 44 13.504 -2.397 -5.596
345 3HD1 ILE 44 1HD1 ILE 44 13.190 -1.510 -4.100
346 H LYS 45 H LYS 45 11.184 -7.434 -3.920
347 HA LYS 45 HA LYS 45 10.478 -9.082 -6.111
348 1HB LYS 45 1HB LYS 45 12.011 -9.705 -4.241
349 2HB LYS 45 2HB LYS 45 10.629 -9.799 -3.160
350 1HG LYS 45 1HG LYS 45 9.655 -11.542 -4.848
351 2HG LYS 45 2HG LYS 45 11.261 -11.549 -5.573
352 1HD LYS 45 1HD LYS 45 10.978 -13.424 -4.061
353 2HD LYS 45 2HD LYS 45 12.204 -12.326 -3.399
354 1HE LYS 45 1HE LYS 45 10.486 -11.340 -1.895
355 2HE LYS 45 2HE LYS 45 9.256 -12.423 -2.558
356 1HZ LYS 45 2HZ LYS 45 11.711 -13.440 -1.292
357 2HZ LYS 45 3HZ LYS 45 10.407 -12.977 -0.413
358 3HZ LYS 45 1HZ LYS 45 10.281 -14.233 -1.486
359 H ARG 46 H ARG 46 8.630 -8.521 -3.057
360 HA ARG 46 HA ARG 46 6.485 -10.184 -3.830
361 1HB ARG 46 1HB ARG 46 6.595 -7.978 -1.772
362 2HB ARG 46 2HB ARG 46 5.175 -8.997 -2.045
363 1HG ARG 46 1HG ARG 46 6.535 -11.042 -1.605
364 2HG ARG 46 2HG ARG 46 7.930 -10.034 -1.258
365 1HD ARG 46 1HD ARG 46 7.067 -10.541 0.857
366 2HD ARG 46 2HD ARG 46 6.481 -8.896 0.552
367 HE ARG 46 HE ARG 46 4.657 -11.009 -0.310
368 1HH1 ARG 46 2HH2 ARG 46 5.609 -9.266 2.675
369 2HH1 ARG 46 1HH2 ARG 46 4.125 -9.655 3.476
370 1HH2 ARG 46 2HH1 ARG 46 2.821 -11.485 0.744
371 2HH2 ARG 46 1HH1 ARG 46 2.449 -10.885 2.330
372 H SER 47 H SER 47 7.168 -6.919 -4.849
373 HA SER 47 HA SER 47 4.379 -6.480 -5.721
374 1HB SER 47 1HB SER 47 6.805 -4.629 -5.707
375 2HB SER 47 2HB SER 47 5.131 -4.160 -6.027
376 HG SER 47 HG SER 47 6.330 -5.100 -3.670
377 H GLY 48 H GLY 48 7.534 -7.251 -7.132
378 1HA GLY 48 1HA GLY 48 8.211 -7.426 -9.317
379 2HA GLY 48 2HA GLY 48 6.516 -7.351 -9.832
380 H ARG 49 H ARG 49 7.941 -4.824 -7.785
381 HA ARG 49 HA ARG 49 8.156 -2.879 -9.974
382 1HB ARG 49 1HB ARG 49 6.074 -2.773 -7.740
383 2HB ARG 49 2HB ARG 49 6.760 -1.296 -8.427
384 1HG ARG 49 1HG ARG 49 5.996 -1.823 -10.617
385 2HG ARG 49 2HG ARG 49 5.341 -3.404 -10.103
386 1HD ARG 49 1HD ARG 49 3.740 -2.282 -8.619
387 2HD ARG 49 2HD ARG 49 4.448 -0.711 -9.001
388 HE ARG 49 HE ARG 49 2.806 -2.435 -10.791
389 1HH1 ARG 49 2HH2 ARG 49 4.237 0.794 -10.212
390 2HH1 ARG 49 1HH2 ARG 49 3.771 1.409 -11.763
391 1HH2 ARG 49 2HH1 ARG 49 1.688 -1.371 -12.495
392 2HH2 ARG 49 1HH1 ARG 49 2.168 0.221 -12.992
393 H THR 50 H THR 50 9.573 -1.246 -9.368
394 HA THR 50 HA THR 50 11.250 -1.946 -7.098
395 HB THR 50 HB THR 50 11.416 -0.273 -9.557
396 HG1 THR 50 HG1 THR 50 13.345 -1.632 -9.655
397 1HG2 THR 50 2HG2 THR 50 13.458 -0.155 -7.293
398 2HG2 THR 50 3HG2 THR 50 13.690 0.475 -8.943
399 3HG2 THR 50 1HG2 THR 50 12.475 1.201 -7.896
400 H THR 51 H THR 51 8.849 0.638 -7.853
401 HA THR 51 HA THR 51 10.006 2.339 -5.788
402 HB THR 51 HB THR 51 8.284 3.942 -6.763
403 HG1 THR 51 HG1 THR 51 6.805 2.580 -7.631
404 1HG2 THR 51 3HG2 THR 51 10.274 2.615 -8.665
405 2HG2 THR 51 1HG2 THR 51 9.596 4.228 -8.872
406 3HG2 THR 51 2HG2 THR 51 10.648 3.891 -7.494
407 H VAL 52 H VAL 52 8.677 3.492 -4.292
408 HA VAL 52 HA VAL 52 6.429 1.933 -3.113
409 HB VAL 52 HB VAL 52 6.781 3.985 -1.371
410 1HG1 VAL 52 3HG1 VAL 52 6.742 1.597 -0.826
411 2HG1 VAL 52 1HG1 VAL 52 8.478 1.513 -1.215
412 3HG1 VAL 52 2HG1 VAL 52 7.891 2.557 0.113
413 1HG2 VAL 52 1HG2 VAL 52 8.677 4.903 -2.651
414 2HG2 VAL 52 2HG2 VAL 52 9.043 4.542 -0.957
415 3HG2 VAL 52 3HG2 VAL 52 9.634 3.467 -2.243
416 HA PRO 53 HA PRO 53 4.831 2.780 -1.423
417 1HB PRO 53 1HB PRO 53 2.120 2.923 -1.416
418 2HB PRO 53 2HB PRO 53 3.142 4.270 -0.829
419 1HG PRO 53 1HG PRO 53 1.880 3.970 -3.565
420 2HG PRO 53 2HG PRO 53 1.843 5.390 -2.461
421 1HD PRO 53 1HD PRO 53 3.669 5.141 -4.516
422 2HD PRO 53 2HD PRO 53 4.080 5.953 -2.975
423 H GLN 54 H GLN 54 3.671 0.722 -1.215
424 HA GLN 54 HA GLN 54 2.563 -0.502 -3.643
425 1HB GLN 54 1HB GLN 54 4.754 -1.746 -1.893
426 2HB GLN 54 2HB GLN 54 3.769 -2.652 -3.035
427 1HG GLN 54 1HG GLN 54 5.680 -0.388 -3.723
428 2HG GLN 54 2HG GLN 54 5.986 -2.095 -3.991
429 1HE2 GLN 54 2HE2 GLN 54 4.437 -0.181 -7.021
430 2HE2 GLN 54 1HE2 GLN 54 5.795 0.162 -5.951
431 H ILE 55 H ILE 55 0.731 -1.873 -2.968
432 HA ILE 55 HA ILE 55 0.345 -2.042 -0.069
433 HB ILE 55 HB ILE 55 -1.742 -1.254 -2.147
434 1HG1 ILE 55 1HG1 ILE 55 -1.879 0.686 -0.226
435 2HG1 ILE 55 2HG1 ILE 55 -0.179 0.286 -0.122
436 1HG2 ILE 55 2HG2 ILE 55 -2.056 -1.725 0.856
437 2HG2 ILE 55 3HG2 ILE 55 -3.313 -1.113 -0.226
438 3HG2 ILE 55 1HG2 ILE 55 -2.734 -2.744 -0.430
439 1HD1 ILE 55 1HD1 ILE 55 0.045 0.809 -2.582
440 2HD1 ILE 55 2HD1 ILE 55 -1.687 1.210 -2.597
441 3HD1 ILE 55 3HD1 ILE 55 -0.561 2.175 -1.631
442 H PHE 56 H PHE 56 -0.740 -3.885 0.528
443 HA PHE 56 HA PHE 56 -1.393 -5.961 -1.466
444 1HB PHE 56 1HB PHE 56 0.092 -6.374 1.179
445 2HB PHE 56 2HB PHE 56 -0.495 -7.645 0.115
446 HD1 PHE 56 HD1 PHE 56 2.024 -4.903 0.449
447 HD2 PHE 56 HD2 PHE 56 0.745 -8.332 -1.844
448 HE1 PHE 56 HE1 PHE 56 4.130 -4.823 -0.878
449 HE2 PHE 56 HE2 PHE 56 2.841 -8.263 -3.118
450 HZ PHE 56 HZ PHE 56 4.527 -6.497 -2.676
451 H ILE 57 H ILE 57 -3.335 -7.049 -0.784
452 HA ILE 57 HA ILE 57 -4.277 -6.542 1.922
453 HB ILE 57 HB ILE 57 -6.232 -6.193 -0.358
454 1HG1 ILE 57 1HG1 ILE 57 -5.101 -4.041 1.476
455 2HG1 ILE 57 2HG1 ILE 57 -4.677 -4.223 -0.213
456 1HG2 ILE 57 1HG2 ILE 57 -6.387 -5.972 2.695
457 2HG2 ILE 57 2HG2 ILE 57 -7.706 -5.494 1.626
458 3HG2 ILE 57 3HG2 ILE 57 -7.197 -7.174 1.676
459 1HD1 ILE 57 1HD1 ILE 57 -7.046 -3.832 -0.868
460 2HD1 ILE 57 2HD1 ILE 57 -7.418 -3.471 0.838
461 3HD1 ILE 57 3HD1 ILE 57 -6.264 -2.468 -0.043
462 H ASP 58 H ASP 58 -4.963 -8.451 2.730
463 HA ASP 58 HA ASP 58 -5.002 -10.729 2.936
464 1HB ASP 58 1HB ASP 58 -6.699 -10.347 0.502
465 2HB ASP 58 2HB ASP 58 -6.411 -11.935 1.219
466 H ALA 59 H ALA 59 -2.850 -9.570 1.930
467 HA ALA 59 HA ALA 59 -0.813 -9.731 1.043
468 1HB ALA 59 2HB ALA 59 -0.761 -11.791 2.336
469 2HB ALA 59 3HB ALA 59 -1.323 -12.702 0.925
470 3HB ALA 59 1HB ALA 59 0.249 -11.894 0.871
471 H GLN 60 H GLN 60 -3.429 -10.322 -0.927
472 HA GLN 60 HA GLN 60 -2.039 -10.873 -3.428
473 1HB GLN 60 1HB GLN 60 -4.840 -9.959 -2.646
474 2HB GLN 60 2HB GLN 60 -4.345 -10.163 -4.324
475 1HG GLN 60 1HG GLN 60 -4.268 -12.465 -4.175
476 2HG GLN 60 2HG GLN 60 -3.827 -12.487 -2.472
477 1HE2 GLN 60 2HE2 GLN 60 -7.200 -12.532 -1.312
478 2HE2 GLN 60 1HE2 GLN 60 -5.520 -12.246 -0.856
479 H HIS 61 H HIS 61 -1.081 -9.341 -4.695
480 HA HIS 61 HA HIS 61 -0.505 -6.784 -3.494
481 1HB HIS 61 1HB HIS 61 1.084 -8.182 -4.826
482 2HB HIS 61 2HB HIS 61 0.109 -7.893 -6.264
483 HD1 HIS 61 HD1 HIS 61 1.457 -6.347 -7.749
484 HD2 HIS 61 HD2 HIS 61 1.638 -5.375 -3.620
485 HE1 HIS 61 HE1 HIS 61 2.954 -4.278 -7.532
486 HE2 HIS 61 HE2 HIS 61 3.010 -3.627 -5.089
487 H ILE 62 H ILE 62 -0.914 -4.678 -4.378
488 HA ILE 62 HA ILE 62 -3.405 -4.449 -5.966
489 HB ILE 62 HB ILE 62 -1.853 -2.280 -4.501
490 1HG1 ILE 62 1HG1 ILE 62 -2.579 -3.699 -2.782
491 2HG1 ILE 62 2HG1 ILE 62 -3.667 -2.337 -2.817
492 1HG2 ILE 62 3HG2 ILE 62 -4.651 -2.289 -5.703
493 2HG2 ILE 62 1HG2 ILE 62 -3.939 -0.996 -4.725
494 3HG2 ILE 62 2HG2 ILE 62 -3.252 -1.387 -6.296
495 1HD1 ILE 62 3HD1 ILE 62 -5.397 -3.703 -3.965
496 2HD1 ILE 62 1HD1 ILE 62 -4.298 -5.103 -3.907
497 3HD1 ILE 62 2HD1 ILE 62 -4.916 -4.398 -2.416
498 H GLY 63 H GLY 63 -0.347 -2.542 -5.880
499 1HA GLY 63 1HA GLY 63 0.765 -2.735 -8.336
500 2HA GLY 63 2HA GLY 63 -0.713 -1.816 -8.678
501 H GLY 64 H GLY 64 -1.059 -0.135 -6.506
502 1HA GLY 64 1HA GLY 64 1.177 1.289 -5.535
503 2HA GLY 64 2HA GLY 64 0.694 1.887 -7.130
504 H TYR 65 H TYR 65 0.103 3.863 -6.001
505 HA TYR 65 HA TYR 65 -1.943 3.850 -3.894
506 1HB TYR 65 1HB TYR 65 -0.157 5.462 -3.675
507 2HB TYR 65 2HB TYR 65 -0.329 5.929 -5.370
508 HD1 TYR 65 HD2 TYR 65 -3.161 5.660 -2.907
509 HD2 TYR 65 HD1 TYR 65 -0.614 8.208 -5.309
510 HE1 TYR 65 HE2 TYR 65 -4.666 7.559 -2.511
511 HE2 TYR 65 HE1 TYR 65 -2.128 10.084 -4.894
512 HH TYR 65 HH TYR 65 -5.223 9.697 -3.218
513 H ASP 66 H ASP 66 -1.726 5.356 -7.216
514 HA ASP 66 HA ASP 66 -4.512 5.998 -7.215
515 1HB ASP 66 1HB ASP 66 -2.347 6.085 -9.175
516 2HB ASP 66 2HB ASP 66 -3.888 5.647 -9.899
517 H ASP 67 H ASP 67 -2.695 3.146 -8.016
518 HA ASP 67 HA ASP 67 -4.792 1.599 -9.215
519 1HB ASP 67 1HB ASP 67 -2.511 0.575 -7.493
520 2HB ASP 67 2HB ASP 67 -3.501 -0.379 -8.587
521 H LEU 68 H LEU 68 -3.775 1.869 -5.717
522 HA LEU 68 HA LEU 68 -5.913 0.239 -4.781
523 1HB LEU 68 1HB LEU 68 -3.953 0.763 -3.330
524 2HB LEU 68 2HB LEU 68 -4.460 2.451 -3.269
525 HG LEU 68 HG LEU 68 -6.634 1.753 -2.197
526 1HD1 LEU 68 1HD1 LEU 68 -5.372 -1.025 -2.180
527 2HD1 LEU 68 2HD1 LEU 68 -6.792 -0.539 -1.242
528 3HD1 LEU 68 3HD1 LEU 68 -6.882 -0.551 -2.995
529 1HD2 LEU 68 3HD2 LEU 68 -4.780 2.461 -0.814
530 2HD2 LEU 68 1HD2 LEU 68 -5.805 1.243 -0.038
531 3HD2 LEU 68 2HD2 LEU 68 -4.217 0.785 -0.701
532 H TYR 69 H TYR 69 -5.628 3.758 -5.093
533 HA TYR 69 HA TYR 69 -8.109 4.622 -4.063
534 1HB TYR 69 1HB TYR 69 -6.397 6.177 -4.767
535 2HB TYR 69 2HB TYR 69 -6.312 5.483 -6.344
536 HD1 TYR 69 HD2 TYR 69 -9.017 7.153 -4.289
537 HD2 TYR 69 HD1 TYR 69 -7.020 6.744 -8.099
538 HE1 TYR 69 HE2 TYR 69 -10.532 8.848 -5.274
539 HE2 TYR 69 HE1 TYR 69 -8.486 8.471 -9.062
540 HH TYR 69 HH TYR 69 -10.021 10.126 -8.561
541 H ALA 70 H ALA 70 -7.350 3.600 -7.376
542 HA ALA 70 HA ALA 70 -10.041 3.757 -8.409
543 1HB ALA 70 3HB ALA 70 -7.632 2.118 -9.329
544 2HB ALA 70 1HB ALA 70 -9.115 2.370 -10.263
545 3HB ALA 70 2HB ALA 70 -8.062 3.749 -9.871
546 H LEU 71 H LEU 71 -8.080 1.143 -7.077
547 HA LEU 71 HA LEU 71 -9.969 -1.034 -7.270
548 1HB LEU 71 1HB LEU 71 -7.503 -1.165 -6.985
549 2HB LEU 71 2HB LEU 71 -7.765 -0.847 -5.269
550 HG LEU 71 HG LEU 71 -9.497 -2.958 -6.585
551 1HD1 LEU 71 3HD1 LEU 71 -6.575 -3.451 -5.938
552 2HD1 LEU 71 1HD1 LEU 71 -7.805 -4.690 -6.243
553 3HD1 LEU 71 2HD1 LEU 71 -7.345 -3.553 -7.536
554 1HD2 LEU 71 2HD2 LEU 71 -9.527 -2.207 -4.163
555 2HD2 LEU 71 3HD2 LEU 71 -9.392 -3.951 -4.477
556 3HD2 LEU 71 1HD2 LEU 71 -7.958 -2.977 -3.988
557 H ASP 72 H ASP 72 -9.555 1.456 -4.761
558 HA ASP 72 HA ASP 72 -11.649 0.450 -3.053
559 1HB ASP 72 1HB ASP 72 -9.970 2.053 -2.199
560 2HB ASP 72 2HB ASP 72 -10.439 3.219 -3.394
561 H ALA 73 H ALA 73 -11.491 3.087 -5.446
562 HA ALA 73 HA ALA 73 -14.159 3.863 -5.259
563 1HB ALA 73 1HB ALA 73 -12.417 5.255 -6.301
564 2HB ALA 73 2HB ALA 73 -12.297 4.111 -7.657
565 3HB ALA 73 3HB ALA 73 -13.780 5.043 -7.406
566 H ARG 74 H ARG 74 -12.869 1.222 -7.121
567 HA ARG 74 HA ARG 74 -15.311 0.757 -8.613
568 1HB ARG 74 1HB ARG 74 -14.235 -0.994 -9.577
569 2HB ARG 74 2HB ARG 74 -12.929 0.111 -9.231
570 1HG ARG 74 1HG ARG 74 -11.811 -1.579 -8.327
571 2HG ARG 74 2HG ARG 74 -12.959 -1.562 -6.993
572 1HD ARG 74 1HD ARG 74 -14.352 -3.223 -8.087
573 2HD ARG 74 2HD ARG 74 -13.358 -3.153 -9.553
574 HE ARG 74 HE ARG 74 -11.778 -3.794 -7.249
575 1HH1 ARG 74 2HH2 ARG 74 -13.956 -5.339 -9.660
576 2HH1 ARG 74 1HH2 ARG 74 -13.046 -6.804 -9.650
577 1HH2 ARG 74 2HH1 ARG 74 -11.072 -5.962 -6.827
578 2HH2 ARG 74 1HH1 ARG 74 -11.578 -7.214 -7.856
579 H GLY 75 H GLY 75 -14.587 0.290 -5.402
580 1HA GLY 75 1HA GLY 75 -15.665 -0.867 -3.689
581 2HA GLY 75 2HA GLY 75 -16.811 -1.519 -4.878
582 H GLY 76 H GLY 76 -13.171 -1.713 -4.773
583 1HA GLY 76 1HA GLY 76 -13.352 -4.687 -4.744
584 2HA GLY 76 2HA GLY 76 -12.069 -3.699 -5.459
585 H LEU 77 H LEU 77 -11.772 -1.809 -3.271
586 HA LEU 77 HA LEU 77 -10.034 -3.343 -1.523
587 1HB LEU 77 1HB LEU 77 -9.714 -0.909 -2.078
588 2HB LEU 77 2HB LEU 77 -11.161 -0.517 -1.172
589 HG LEU 77 HG LEU 77 -8.508 -1.461 -0.090
590 1HD1 LEU 77 3HD1 LEU 77 -8.733 0.894 -0.719
591 2HD1 LEU 77 1HD1 LEU 77 -10.195 1.048 0.274
592 3HD1 LEU 77 2HD1 LEU 77 -8.624 0.749 1.039
593 1HD2 LEU 77 1HD2 LEU 77 -11.081 -1.175 1.505
594 2HD2 LEU 77 2HD2 LEU 77 -9.910 -2.517 1.501
595 3HD2 LEU 77 3HD2 LEU 77 -9.468 -0.996 2.226
596 H ASP 78 H ASP 78 -13.223 -1.788 -1.264
597 HA ASP 78 HA ASP 78 -13.644 -2.229 1.413
598 1HB ASP 78 1HB ASP 78 -14.908 -0.777 -0.202
599 2HB ASP 78 2HB ASP 78 -15.847 -2.175 -0.690
600 HA PRO 79 HA PRO 79 -15.620 -6.580 0.646
601 1HB PRO 79 1HB PRO 79 -15.109 -7.897 -1.706
602 2HB PRO 79 2HB PRO 79 -16.571 -6.918 -1.385
603 1HG PRO 79 1HG PRO 79 -14.042 -6.102 -2.819
604 2HG PRO 79 2HG PRO 79 -15.745 -5.864 -3.331
605 1HD PRO 79 1HD PRO 79 -14.375 -3.869 -2.118
606 2HD PRO 79 2HD PRO 79 -16.087 -4.163 -1.716
607 H LEU 80 H LEU 80 -12.402 -5.724 -0.677
608 HA LEU 80 HA LEU 80 -11.159 -8.240 0.077
609 1HB LEU 80 1HB LEU 80 -10.251 -5.567 -0.881
610 2HB LEU 80 2HB LEU 80 -9.136 -6.373 0.182
611 HG LEU 80 HG LEU 80 -10.286 -7.769 -2.248
612 1HD1 LEU 80 2HD1 LEU 80 -9.125 -5.694 -2.949
613 2HD1 LEU 80 3HD1 LEU 80 -7.693 -6.172 -2.039
614 3HD1 LEU 80 1HD1 LEU 80 -8.222 -7.136 -3.433
615 1HD2 LEU 80 2HD2 LEU 80 -7.812 -8.254 -0.506
616 2HD2 LEU 80 3HD2 LEU 80 -9.256 -9.279 -0.591
617 3HD2 LEU 80 1HD2 LEU 80 -8.189 -9.138 -1.994
618 H LEU 81 H LEU 81 -12.230 -5.402 1.810
619 HA LEU 81 HA LEU 81 -10.657 -5.982 4.188
620 1HB LEU 81 1HB LEU 81 -11.622 -3.665 3.173
621 2HB LEU 81 2HB LEU 81 -12.987 -4.072 4.183
622 HG LEU 81 HG LEU 81 -11.463 -2.561 5.284
623 1HD1 LEU 81 2HD1 LEU 81 -12.583 -4.205 6.760
624 2HD1 LEU 81 3HD1 LEU 81 -11.153 -5.232 6.694
625 3HD1 LEU 81 1HD1 LEU 81 -11.053 -3.608 7.411
626 1HD2 LEU 81 1HD2 LEU 81 -9.396 -3.169 4.104
627 2HD2 LEU 81 2HD2 LEU 81 -9.145 -3.148 5.861
628 3HD2 LEU 81 3HD2 LEU 81 -9.279 -4.679 5.017
629 H LYS 82 H LYS 82 -12.113 -8.114 3.242
630 HA LYS 82 HA LYS 82 -14.477 -8.725 4.772
631 1HB LYS 82 1HB LYS 82 -13.319 -9.990 2.700
632 2HB LYS 82 2HB LYS 82 -12.320 -10.714 3.941
633 1HG LYS 82 1HG LYS 82 -13.920 -12.281 3.961
634 2HG LYS 82 2HG LYS 82 -14.753 -11.185 5.057
635 1HD LYS 82 1HD LYS 82 -15.194 -11.353 2.025
636 2HD LYS 82 2HD LYS 82 -16.206 -12.097 3.246
637 1HE LYS 82 1HE LYS 82 -17.436 -10.216 3.025
638 2HE LYS 82 2HE LYS 82 -16.299 -9.624 4.238
639 1HZ LYS 82 1HZ LYS 82 -14.964 -8.764 2.305
640 2HZ LYS 82 2HZ LYS 82 -16.183 -9.191 1.316
641 3HZ LYS 82 3HZ LYS 82 -16.409 -8.036 2.493
642 1HB2 GTT 83 1HB2 GTT 83 8.158 7.109 -3.067
643 2HB2 GTT 83 2HB2 GTT 83 9.819 6.762 -2.631
644 HA2 GTT 83 HA2 GTT 83 10.113 7.826 -5.173
645 HN2 GTT 83 HN2 GTT 83 7.520 6.371 -5.061
646 1HG1 GTT 83 1HG1 GTT 83 6.357 7.622 -7.590
647 2HG1 GTT 83 2HG1 GTT 83 6.333 5.986 -6.939
648 1HB1 GTT 83 1HB1 GTT 83 7.678 5.215 -8.873
649 2HB1 GTT 83 2HB1 GTT 83 7.666 6.832 -9.566
650 HA1 GTT 83 HA1 GTT 83 5.149 5.231 -8.939
651 1HN1 GTT 83 1HN1 GTT 83 6.660 4.185 -10.614
652 2HN1 GTT 83 2HN1 GTT 83 5.096 4.531 -11.098
653 3HN1 GTT 83 3HN1 GTT 83 6.355 5.486 -11.564
654 HN3 GTT 83 HN3 GTT 83 12.082 6.859 -4.213
655 1HA3 GTT 83 1HA3 GTT 83 12.159 4.195 -3.278
656 2HA3 GTT 83 2HA3 GTT 83 12.741 4.242 -4.961
No H/Q in entry = 656
Start of MODEL 10
1 1H ALA 1 1H ALA 1 -7.396 -11.248 5.658
2 2H ALA 1 2H ALA 1 -8.146 -11.266 7.133
3 3H ALA 1 3H ALA 1 -8.979 -10.826 5.770
4 HA ALA 1 HA ALA 1 -7.715 -8.909 5.449
5 1HB ALA 1 1HB ALA 1 -8.700 -9.120 8.311
6 2HB ALA 1 2HB ALA 1 -8.319 -7.606 7.445
7 3HB ALA 1 3HB ALA 1 -9.619 -8.657 6.857
8 H ASN 2 H ASN 2 -5.591 -8.519 5.236
9 HA ASN 2 HA ASN 2 -4.048 -7.958 7.644
10 1HB ASN 2 1HB ASN 2 -3.565 -10.330 7.079
11 2HB ASN 2 2HB ASN 2 -2.935 -9.820 5.523
12 1HD2 ASN 2 2HD2 ASN 2 0.076 -8.355 6.941
13 2HD2 ASN 2 1HD2 ASN 2 -0.982 -8.296 5.559
14 H VAL 3 H VAL 3 -4.451 -5.791 6.851
15 HA VAL 3 HA VAL 3 -3.737 -5.151 4.080
16 HB VAL 3 HB VAL 3 -4.887 -3.421 6.303
17 1HG1 VAL 3 3HG1 VAL 3 -4.728 -2.969 3.283
18 2HG1 VAL 3 1HG1 VAL 3 -5.549 -1.909 4.449
19 3HG1 VAL 3 2HG1 VAL 3 -3.790 -2.099 4.504
20 1HG2 VAL 3 3HG2 VAL 3 -6.451 -5.256 5.729
21 2HG2 VAL 3 1HG2 VAL 3 -7.027 -3.682 5.212
22 3HG2 VAL 3 2HG2 VAL 3 -6.344 -4.801 4.014
23 H GLU 4 H GLU 4 -1.691 -4.449 3.592
24 HA GLU 4 HA GLU 4 -0.165 -3.011 5.689
25 1HB GLU 4 1HB GLU 4 1.596 -4.487 3.879
26 2HB GLU 4 2HB GLU 4 1.613 -4.279 5.628
27 1HG GLU 4 1HG GLU 4 -0.165 -6.086 5.764
28 2HG GLU 4 2HG GLU 4 0.108 -6.387 4.047
29 H ILE 5 H ILE 5 1.252 -1.358 4.808
30 HA ILE 5 HA ILE 5 0.972 -0.808 1.935
31 HB ILE 5 HB ILE 5 -0.865 0.421 2.731
32 1HG1 ILE 5 1HG1 ILE 5 1.430 2.413 2.435
33 2HG1 ILE 5 2HG1 ILE 5 0.782 1.462 1.104
34 1HG2 ILE 5 2HG2 ILE 5 -0.256 0.531 5.179
35 2HG2 ILE 5 3HG2 ILE 5 0.824 1.879 4.791
36 3HG2 ILE 5 1HG2 ILE 5 -0.934 2.011 4.513
37 1HD1 ILE 5 2HD1 ILE 5 -1.456 2.504 1.452
38 2HD1 ILE 5 3HD1 ILE 5 -0.767 3.515 2.734
39 3HD1 ILE 5 1HD1 ILE 5 -0.179 3.671 1.070
40 H TYR 6 H TYR 6 2.974 -0.757 1.257
41 HA TYR 6 HA TYR 6 5.168 -0.155 3.089
42 1HB TYR 6 1HB TYR 6 5.017 -0.762 0.120
43 2HB TYR 6 2HB TYR 6 6.503 -0.225 0.890
44 HD1 TYR 6 HD2 TYR 6 4.037 -2.979 0.765
45 HD2 TYR 6 HD1 TYR 6 7.696 -1.588 2.495
46 HE1 TYR 6 HE2 TYR 6 4.616 -5.304 1.375
47 HE2 TYR 6 HE1 TYR 6 8.328 -3.868 3.132
48 HH TYR 6 HH TYR 6 7.714 -6.175 2.957
49 H THR 7 H THR 7 6.386 1.689 3.163
50 HA THR 7 HA THR 7 5.606 4.070 1.594
51 HB THR 7 HB THR 7 5.580 5.256 3.842
52 HG1 THR 7 HG1 THR 7 5.676 4.109 5.631
53 1HG2 THR 7 2HG2 THR 7 3.424 4.563 2.657
54 2HG2 THR 7 3HG2 THR 7 3.399 3.136 3.702
55 3HG2 THR 7 1HG2 THR 7 3.309 4.767 4.411
56 H LYS 8 H LYS 8 7.274 5.818 2.027
57 HA LYS 8 HA LYS 8 9.667 4.982 3.415
58 1HB LYS 8 1HB LYS 8 10.829 4.352 1.684
59 2HB LYS 8 2HB LYS 8 9.565 4.777 0.530
60 1HG LYS 8 1HG LYS 8 10.392 7.022 0.337
61 2HG LYS 8 2HG LYS 8 11.599 6.710 1.620
62 1HD LYS 8 1HD LYS 8 12.816 5.180 0.263
63 2HD LYS 8 2HD LYS 8 11.551 5.195 -0.973
64 1HE LYS 8 1HE LYS 8 13.478 6.608 -1.614
65 2HE LYS 8 2HE LYS 8 11.975 7.532 -1.495
66 1HZ LYS 8 1HZ LYS 8 12.709 8.342 0.666
67 2HZ LYS 8 2HZ LYS 8 14.130 7.488 0.526
68 3HZ LYS 8 3HZ LYS 8 13.804 8.682 -0.529
69 H GLU 9 H GLU 9 10.664 6.864 4.154
70 HA GLU 9 HA GLU 9 9.375 9.364 4.311
71 1HB GLU 9 1HB GLU 9 11.064 8.454 5.863
72 2HB GLU 9 2HB GLU 9 12.305 8.575 4.608
73 1HG GLU 9 1HG GLU 9 12.180 11.014 4.658
74 2HG GLU 9 2HG GLU 9 10.784 10.953 5.753
75 H THR 10 H THR 10 10.187 11.458 3.476
76 HA THR 10 HA THR 10 10.093 12.784 1.722
77 HB THR 10 HB THR 10 12.477 12.600 2.265
78 HG1 THR 10 HG1 THR 10 12.101 14.218 1.096
79 1HG2 THR 10 3HG2 THR 10 12.731 10.808 -0.171
80 2HG2 THR 10 1HG2 THR 10 14.044 11.767 0.515
81 3HG2 THR 10 2HG2 THR 10 13.288 10.516 1.498
82 H CYS 11 H CYS 11 8.162 11.101 1.395
83 HA CYS 11 HA CYS 11 8.032 11.097 -1.510
84 1HB CYS 11 1HB CYS 11 8.756 8.750 -0.634
85 2HB CYS 11 2HB CYS 11 7.081 8.588 -0.126
86 HA PRO 12 HA PRO 12 4.244 12.805 0.266
87 1HB PRO 12 1HB PRO 12 3.117 13.818 -1.976
88 2HB PRO 12 2HB PRO 12 4.414 14.659 -1.058
89 1HG PRO 12 1HG PRO 12 4.698 12.996 -3.575
90 2HG PRO 12 2HG PRO 12 5.498 14.544 -3.174
91 1HD PRO 12 1HD PRO 12 6.711 12.107 -2.900
92 2HD PRO 12 2HD PRO 12 7.048 13.467 -1.784
93 H TYR 13 H TYR 13 4.115 11.091 -2.918
94 HA TYR 13 HA TYR 13 1.576 10.171 -3.056
95 1HB TYR 13 1HB TYR 13 3.703 9.946 -4.541
96 2HB TYR 13 2HB TYR 13 4.077 8.504 -3.640
97 HD1 TYR 13 HD2 TYR 13 1.096 9.991 -5.424
98 HD2 TYR 13 HD1 TYR 13 3.691 6.608 -4.928
99 HE1 TYR 13 HE2 TYR 13 -0.240 8.731 -7.094
100 HE2 TYR 13 HE1 TYR 13 2.360 5.320 -6.577
101 HH TYR 13 HH TYR 13 -0.464 6.725 -8.286
102 H SER 14 H SER 14 4.151 8.711 -1.127
103 HA SER 14 HA SER 14 2.791 6.447 -0.036
104 1HB SER 14 1HB SER 14 5.142 6.646 0.005
105 2HB SER 14 2HB SER 14 5.109 8.233 0.749
106 HG SER 14 HG SER 14 5.298 7.329 2.548
107 H HIS 15 H HIS 15 2.908 9.878 1.070
108 HA HIS 15 HA HIS 15 1.265 9.117 3.437
109 1HB HIS 15 1HB HIS 15 2.695 11.673 2.636
110 2HB HIS 15 2HB HIS 15 1.534 11.589 3.967
111 HD1 HIS 15 HD1 HIS 15 2.252 10.328 6.185
112 HD2 HIS 15 HD2 HIS 15 5.013 10.080 2.970
113 HE1 HIS 15 HE1 HIS 15 4.312 9.067 7.063
114 HE2 HIS 15 HE2 HIS 15 5.970 8.884 5.147
115 H ARG 16 H ARG 16 0.881 10.690 0.306
116 HA ARG 16 HA ARG 16 -1.818 11.644 0.573
117 1HB ARG 16 1HB ARG 16 -0.168 10.494 -1.708
118 2HB ARG 16 2HB ARG 16 -1.816 11.042 -1.920
119 1HG ARG 16 1HG ARG 16 -1.113 13.321 -1.100
120 2HG ARG 16 2HG ARG 16 0.569 12.760 -1.133
121 1HD ARG 16 1HD ARG 16 0.333 12.163 -3.523
122 2HD ARG 16 2HD ARG 16 -1.365 12.659 -3.492
123 HE ARG 16 HE ARG 16 0.267 14.830 -2.629
124 1HH1 ARG 16 2HH2 ARG 16 -0.490 13.056 -5.600
125 2HH1 ARG 16 1HH2 ARG 16 -0.406 14.435 -6.632
126 1HH2 ARG 16 2HH1 ARG 16 0.309 16.649 -3.905
127 2HH2 ARG 16 1HH1 ARG 16 -0.177 16.593 -5.583
128 H ALA 17 H ALA 17 -0.542 8.363 -0.305
129 HA ALA 17 HA ALA 17 -3.051 7.245 -0.617
130 1HB ALA 17 3HB ALA 17 -0.937 6.097 -1.170
131 2HB ALA 17 1HB ALA 17 -0.569 5.933 0.562
132 3HB ALA 17 2HB ALA 17 -1.958 5.068 -0.138
133 H LYS 18 H LYS 18 -1.609 8.205 2.385
134 HA LYS 18 HA LYS 18 -3.525 6.649 3.973
135 1HB LYS 18 1HB LYS 18 -1.336 8.616 4.716
136 2HB LYS 18 2HB LYS 18 -2.634 8.220 5.841
137 1HG LYS 18 1HG LYS 18 -1.052 6.674 6.360
138 2HG LYS 18 2HG LYS 18 -2.186 5.763 5.380
139 1HD LYS 18 1HD LYS 18 -0.643 5.892 3.432
140 2HD LYS 18 2HD LYS 18 0.493 6.860 4.367
141 1HE LYS 18 1HE LYS 18 -0.464 4.029 4.991
142 2HE LYS 18 2HE LYS 18 1.133 4.447 4.359
143 1HZ LYS 18 1HZ LYS 18 0.167 5.373 7.029
144 2HZ LYS 18 2HZ LYS 18 1.010 4.000 6.810
145 3HZ LYS 18 3HZ LYS 18 1.695 5.415 6.490
146 H ALA 19 H ALA 19 -3.537 9.939 2.558
147 HA ALA 19 HA ALA 19 -5.774 10.791 4.199
148 1HB ALA 19 2HB ALA 19 -4.996 11.547 1.336
149 2HB ALA 19 3HB ALA 19 -6.289 12.313 2.277
150 3HB ALA 19 1HB ALA 19 -4.620 12.459 2.821
151 H LEU 20 H LEU 20 -5.434 8.770 1.323
152 HA LEU 20 HA LEU 20 -8.331 8.543 0.956
153 1HB LEU 20 1HB LEU 20 -6.654 8.013 -0.834
154 2HB LEU 20 2HB LEU 20 -6.119 6.600 0.062
155 HG LEU 20 HG LEU 20 -8.936 6.958 -1.049
156 1HD1 LEU 20 1HD1 LEU 20 -7.162 6.851 -2.824
157 2HD1 LEU 20 2HD1 LEU 20 -6.637 5.291 -2.165
158 3HD1 LEU 20 3HD1 LEU 20 -8.265 5.465 -2.836
159 1HD2 LEU 20 3HD2 LEU 20 -7.531 4.397 -0.148
160 2HD2 LEU 20 1HD2 LEU 20 -8.896 5.176 0.681
161 3HD2 LEU 20 2HD2 LEU 20 -9.108 4.488 -0.921
162 H LEU 21 H LEU 21 -5.980 6.162 2.258
163 HA LEU 21 HA LEU 21 -8.119 4.453 3.059
164 1HB LEU 21 1HB LEU 21 -5.169 4.679 3.867
165 2HB LEU 21 2HB LEU 21 -6.189 3.396 4.494
166 HG LEU 21 HG LEU 21 -6.087 3.805 1.495
167 1HD1 LEU 21 2HD1 LEU 21 -3.933 2.352 3.049
168 2HD1 LEU 21 3HD1 LEU 21 -4.164 2.334 1.281
169 3HD1 LEU 21 1HD1 LEU 21 -3.748 3.845 2.087
170 1HD2 LEU 21 2HD2 LEU 21 -6.369 1.358 3.296
171 2HD2 LEU 21 3HD2 LEU 21 -7.660 2.165 2.366
172 3HD2 LEU 21 1HD2 LEU 21 -6.360 1.315 1.529
173 H SER 22 H SER 22 -6.572 7.119 4.842
174 HA SER 22 HA SER 22 -7.901 6.442 7.319
175 1HB SER 22 1HB SER 22 -5.754 7.773 7.088
176 2HB SER 22 2HB SER 22 -6.742 9.136 6.514
177 HG SER 22 HG SER 22 -7.081 7.708 8.970
178 H SER 23 H SER 23 -8.721 8.600 4.420
179 HA SER 23 HA SER 23 -11.108 9.625 5.576
180 1HB SER 23 1HB SER 23 -10.164 10.476 3.509
181 2HB SER 23 2HB SER 23 -10.405 8.931 2.693
182 HG SER 23 HG SER 23 -12.583 10.351 3.817
183 H LYS 24 H LYS 24 -10.247 6.414 4.521
184 HA LYS 24 HA LYS 24 -13.045 5.454 4.728
185 1HB LYS 24 1HB LYS 24 -10.581 4.239 3.429
186 2HB LYS 24 2HB LYS 24 -12.225 3.565 3.383
187 1HG LYS 24 1HG LYS 24 -12.996 5.690 2.307
188 2HG LYS 24 2HG LYS 24 -11.346 6.263 2.247
189 1HD LYS 24 1HD LYS 24 -10.793 4.161 0.922
190 2HD LYS 24 2HD LYS 24 -12.530 3.925 0.733
191 1HE LYS 24 1HE LYS 24 -11.371 6.666 0.159
192 2HE LYS 24 2HE LYS 24 -11.061 5.359 -0.998
193 1HZ LYS 24 1HZ LYS 24 -13.791 6.047 -0.155
194 2HZ LYS 24 2HZ LYS 24 -13.036 6.675 -1.473
195 3HZ LYS 24 3HZ LYS 24 -13.262 5.048 -1.389
196 H GLY 25 H GLY 25 -10.764 5.910 6.897
197 1HA GLY 25 1HA GLY 25 -10.168 4.927 8.895
198 2HA GLY 25 2HA GLY 25 -11.809 4.256 8.822
199 H VAL 26 H VAL 26 -9.088 3.392 6.622
200 HA VAL 26 HA VAL 26 -9.699 0.601 7.276
201 HB VAL 26 HB VAL 26 -7.558 1.656 5.446
202 1HG1 VAL 26 2HG1 VAL 26 -8.919 -1.040 5.558
203 2HG1 VAL 26 3HG1 VAL 26 -7.795 -0.501 4.284
204 3HG1 VAL 26 1HG1 VAL 26 -7.213 -0.687 5.932
205 1HG2 VAL 26 1HG2 VAL 26 -10.495 0.993 4.876
206 2HG2 VAL 26 2HG2 VAL 26 -9.685 2.547 4.616
207 3HG2 VAL 26 3HG2 VAL 26 -9.290 1.165 3.592
208 H SER 27 H SER 27 -8.332 -0.788 8.100
209 HA SER 27 HA SER 27 -6.576 0.269 10.225
210 1HB SER 27 1HB SER 27 -7.760 -2.513 9.925
211 2HB SER 27 2HB SER 27 -7.191 -1.723 11.401
212 HG SER 27 HG SER 27 -8.883 -0.106 10.974
213 H PHE 28 H PHE 28 -5.140 0.587 8.149
214 HA PHE 28 HA PHE 28 -3.726 -1.795 7.179
215 1HB PHE 28 1HB PHE 28 -2.419 -0.153 5.869
216 2HB PHE 28 2HB PHE 28 -4.140 0.102 5.674
217 HD1 PHE 28 HD2 PHE 28 -1.122 1.416 7.524
218 HD2 PHE 28 HD1 PHE 28 -5.162 2.201 6.214
219 HE1 PHE 28 HE2 PHE 28 -0.958 3.717 8.378
220 HE2 PHE 28 HE1 PHE 28 -4.951 4.539 6.997
221 HZ PHE 28 HZ PHE 28 -2.856 5.306 8.083
222 H GLN 29 H GLN 29 -1.226 -1.633 7.169
223 HA GLN 29 HA GLN 29 -0.107 -0.742 9.708
224 1HB GLN 29 1HB GLN 29 -0.527 -3.414 9.351
225 2HB GLN 29 2HB GLN 29 0.925 -3.263 8.406
226 1HG GLN 29 1HG GLN 29 1.544 -1.765 10.705
227 2HG GLN 29 2HG GLN 29 0.536 -3.061 11.344
228 1HE2 GLN 29 2HE2 GLN 29 4.206 -3.912 9.663
229 2HE2 GLN 29 1HE2 GLN 29 3.419 -2.390 9.234
230 H GLU 30 H GLU 30 1.118 0.875 8.993
231 HA GLU 30 HA GLU 30 2.296 1.093 6.394
232 1HB GLU 30 1HB GLU 30 2.075 2.963 8.173
233 2HB GLU 30 2HB GLU 30 3.544 2.223 8.901
234 1HG GLU 30 1HG GLU 30 4.835 2.582 7.002
235 2HG GLU 30 2HG GLU 30 3.415 2.979 6.016
236 H LEU 31 H LEU 31 4.372 0.721 5.751
237 HA LEU 31 HA LEU 31 6.165 -1.107 7.248
238 1HB LEU 31 1HB LEU 31 4.979 -1.698 4.541
239 2HB LEU 31 2HB LEU 31 6.475 -2.434 5.118
240 HG LEU 31 HG LEU 31 3.780 -2.642 6.551
241 1HD1 LEU 31 1HD1 LEU 31 3.800 -3.764 4.391
242 2HD1 LEU 31 2HD1 LEU 31 5.295 -4.631 4.845
243 3HD1 LEU 31 3HD1 LEU 31 3.789 -4.932 5.741
244 1HD2 LEU 31 3HD2 LEU 31 6.451 -4.048 6.989
245 2HD2 LEU 31 1HD2 LEU 31 5.620 -2.972 8.134
246 3HD2 LEU 31 2HD2 LEU 31 4.917 -4.541 7.732
247 HA PRO 32 HA PRO 32 8.381 2.531 5.500
248 1HB PRO 32 1HB PRO 32 10.347 1.733 7.595
249 2HB PRO 32 2HB PRO 32 9.608 3.328 7.295
250 1HG PRO 32 1HG PRO 32 8.877 1.749 9.431
251 2HG PRO 32 2HG PRO 32 7.700 2.782 8.567
252 1HD PRO 32 1HD PRO 32 8.116 -0.194 8.254
253 2HD PRO 32 2HD PRO 32 6.606 0.748 8.301
254 H ILE 33 H ILE 33 9.895 2.375 3.858
255 HA ILE 33 HA ILE 33 11.996 0.253 4.013
256 HB ILE 33 HB ILE 33 12.034 0.273 1.563
257 1HG1 ILE 33 1HG1 ILE 33 9.556 0.891 0.639
258 2HG1 ILE 33 2HG1 ILE 33 9.877 2.170 1.742
259 1HG2 ILE 33 3HG2 ILE 33 9.512 -0.597 2.943
260 2HG2 ILE 33 1HG2 ILE 33 10.076 -1.241 1.377
261 3HG2 ILE 33 2HG2 ILE 33 11.043 -1.494 2.853
262 1HD1 ILE 33 3HD1 ILE 33 12.148 2.506 0.553
263 2HD1 ILE 33 1HD1 ILE 33 11.488 1.421 -0.695
264 3HD1 ILE 33 2HD1 ILE 33 10.701 2.947 -0.358
265 H ASP 34 H ASP 34 11.628 3.536 4.325
266 HA ASP 34 HA ASP 34 14.023 4.241 2.874
267 1HB ASP 34 1HB ASP 34 14.039 6.269 4.429
268 2HB ASP 34 2HB ASP 34 12.596 6.103 3.444
269 H GLY 35 H GLY 35 16.111 4.063 3.647
270 1HA GLY 35 1HA GLY 35 17.864 3.324 4.869
271 2HA GLY 35 2HA GLY 35 16.862 3.394 6.324
272 H ASN 36 H ASN 36 14.861 1.540 5.520
273 HA ASN 36 HA ASN 36 16.207 -1.009 6.007
274 1HB ASN 36 1HB ASN 36 14.330 -0.668 7.340
275 2HB ASN 36 2HB ASN 36 13.375 0.024 6.029
276 1HD2 ASN 36 2HD2 ASN 36 11.943 -2.865 4.972
277 2HD2 ASN 36 1HD2 ASN 36 11.655 -1.279 5.630
278 H ALA 37 H ALA 37 17.327 -0.612 3.883
279 HA ALA 37 HA ALA 37 15.999 -1.181 1.417
280 1HB ALA 37 2HB ALA 37 18.905 -1.575 2.214
281 2HB ALA 37 3HB ALA 37 18.272 -1.682 0.558
282 3HB ALA 37 1HB ALA 37 18.191 -0.143 1.441
283 H ALA 38 H ALA 38 16.942 -3.237 4.038
284 HA ALA 38 HA ALA 38 17.042 -5.760 2.769
285 1HB ALA 38 1HB ALA 38 16.141 -5.018 5.591
286 2HB ALA 38 2HB ALA 38 16.469 -6.668 5.019
287 3HB ALA 38 3HB ALA 38 17.779 -5.480 5.073
288 H LYS 39 H LYS 39 14.182 -4.599 4.718
289 HA LYS 39 HA LYS 39 12.530 -6.468 3.255
290 1HB LYS 39 1HB LYS 39 12.210 -5.392 5.673
291 2HB LYS 39 2HB LYS 39 11.194 -4.260 4.748
292 1HG LYS 39 1HG LYS 39 9.723 -5.969 4.017
293 2HG LYS 39 2HG LYS 39 10.830 -7.249 4.532
294 1HD LYS 39 1HD LYS 39 8.974 -7.051 6.104
295 2HD LYS 39 2HD LYS 39 10.519 -6.683 6.868
296 1HE LYS 39 1HE LYS 39 9.994 -4.211 6.548
297 2HE LYS 39 2HE LYS 39 8.371 -4.692 6.013
298 1HZ LYS 39 2HZ LYS 39 9.585 -5.292 8.644
299 2HZ LYS 39 3HZ LYS 39 8.462 -4.135 8.372
300 3HZ LYS 39 1HZ LYS 39 8.058 -5.718 8.194
301 H ARG 40 H ARG 40 13.681 -3.312 2.398
302 HA ARG 40 HA ARG 40 11.577 -2.667 0.558
303 1HB ARG 40 1HB ARG 40 13.604 -1.165 1.134
304 2HB ARG 40 2HB ARG 40 14.539 -2.190 0.036
305 1HG ARG 40 1HG ARG 40 12.981 -1.674 -1.801
306 2HG ARG 40 2HG ARG 40 11.994 -0.726 -0.691
307 1HD ARG 40 1HD ARG 40 13.374 0.765 -2.064
308 2HD ARG 40 2HD ARG 40 13.871 0.863 -0.366
309 HE ARG 40 HE ARG 40 15.380 -1.066 -1.971
310 1HH1 ARG 40 2HH2 ARG 40 15.257 2.483 -1.362
311 2HH1 ARG 40 1HH2 ARG 40 16.953 2.602 -1.180
312 1HH2 ARG 40 2HH1 ARG 40 17.610 -0.774 -2.068
313 2HH2 ARG 40 1HH1 ARG 40 18.338 0.776 -1.765
314 H GLU 41 H GLU 41 14.484 -4.876 0.334
315 HA GLU 41 HA GLU 41 13.796 -5.425 -2.376
316 1HB GLU 41 1HB GLU 41 16.036 -6.014 -0.730
317 2HB GLU 41 2HB GLU 41 15.373 -7.579 -1.245
318 1HG GLU 41 1HG GLU 41 15.190 -6.488 -3.617
319 2HG GLU 41 2HG GLU 41 16.252 -5.231 -2.968
320 H GLU 42 H GLU 42 12.740 -6.862 0.652
321 HA GLU 42 HA GLU 42 11.386 -9.107 -0.518
322 1HB GLU 42 1HB GLU 42 11.747 -8.765 1.940
323 2HB GLU 42 2HB GLU 42 10.595 -7.435 1.906
324 1HG GLU 42 1HG GLU 42 9.448 -9.324 2.748
325 2HG GLU 42 2HG GLU 42 8.819 -9.037 1.132
326 H MET 43 H MET 43 10.340 -5.707 0.136
327 HA MET 43 HA MET 43 7.799 -5.829 -1.092
328 1HB MET 43 1HB MET 43 8.156 -4.006 0.200
329 2HB MET 43 2HB MET 43 9.715 -3.600 -0.469
330 1HG MET 43 1HG MET 43 7.259 -3.397 -2.212
331 2HG MET 43 2HG MET 43 7.572 -2.169 -0.999
332 1HE MET 43 2HE MET 43 9.560 -0.630 -0.884
333 2HE MET 43 3HE MET 43 10.019 0.157 -2.405
334 3HE MET 43 1HE MET 43 8.301 0.002 -1.973
335 H ILE 44 H ILE 44 10.988 -5.208 -2.584
336 HA ILE 44 HA ILE 44 10.065 -4.761 -5.215
337 HB ILE 44 HB ILE 44 12.669 -5.870 -4.146
338 1HG1 ILE 44 1HG1 ILE 44 12.001 -3.242 -5.503
339 2HG1 ILE 44 2HG1 ILE 44 11.965 -3.434 -3.763
340 1HG2 ILE 44 2HG2 ILE 44 12.037 -5.211 -7.035
341 2HG2 ILE 44 3HG2 ILE 44 13.663 -5.508 -6.377
342 3HG2 ILE 44 1HG2 ILE 44 12.483 -6.805 -6.376
343 1HD1 ILE 44 1HD1 ILE 44 14.454 -4.238 -4.027
344 2HD1 ILE 44 2HD1 ILE 44 14.358 -3.408 -5.589
345 3HD1 ILE 44 3HD1 ILE 44 14.062 -2.526 -4.076
346 H LYS 45 H LYS 45 11.098 -7.898 -3.737
347 HA LYS 45 HA LYS 45 10.367 -9.440 -6.010
348 1HB LYS 45 1HB LYS 45 11.641 -10.063 -3.741
349 2HB LYS 45 2HB LYS 45 10.040 -10.562 -3.226
350 1HG LYS 45 1HG LYS 45 11.000 -12.533 -4.123
351 2HG LYS 45 2HG LYS 45 9.931 -11.959 -5.399
352 1HD LYS 45 1HD LYS 45 11.964 -12.625 -6.468
353 2HD LYS 45 2HD LYS 45 11.991 -10.857 -6.472
354 1HE LYS 45 1HE LYS 45 13.292 -11.197 -4.183
355 2HE LYS 45 2HE LYS 45 13.585 -12.822 -4.793
356 1HZ LYS 45 3HZ LYS 45 14.644 -11.755 -6.749
357 2HZ LYS 45 1HZ LYS 45 14.348 -10.277 -6.098
358 3HZ LYS 45 2HZ LYS 45 15.365 -11.283 -5.332
359 H ARG 46 H ARG 46 8.483 -8.394 -3.187
360 HA ARG 46 HA ARG 46 6.051 -9.728 -3.813
361 1HB ARG 46 1HB ARG 46 6.755 -7.358 -2.068
362 2HB ARG 46 2HB ARG 46 5.120 -7.951 -2.234
363 1HG ARG 46 1HG ARG 46 5.650 -10.095 -1.350
364 2HG ARG 46 2HG ARG 46 7.362 -9.660 -1.157
365 1HD ARG 46 1HD ARG 46 6.853 -8.003 0.508
366 2HD ARG 46 2HD ARG 46 5.128 -8.000 0.082
367 HE ARG 46 HE ARG 46 5.977 -10.600 0.920
368 1HH1 ARG 46 2HH2 ARG 46 5.356 -7.462 2.487
369 2HH1 ARG 46 1HH2 ARG 46 4.195 -8.081 3.618
370 1HH2 ARG 46 2HH1 ARG 46 4.540 -11.441 2.478
371 2HH2 ARG 46 1HH1 ARG 46 4.120 -10.474 3.865
372 H SER 47 H SER 47 7.386 -6.912 -5.392
373 HA SER 47 HA SER 47 4.635 -6.402 -6.480
374 1HB SER 47 1HB SER 47 4.844 -4.035 -6.056
375 2HB SER 47 2HB SER 47 4.977 -4.942 -4.546
376 HG SER 47 HG SER 47 7.228 -4.631 -4.624
377 H GLY 48 H GLY 48 7.917 -6.663 -7.409
378 1HA GLY 48 1HA GLY 48 8.878 -6.372 -9.476
379 2HA GLY 48 2HA GLY 48 7.287 -6.002 -10.138
380 H ARG 49 H ARG 49 8.405 -4.073 -7.387
381 HA ARG 49 HA ARG 49 9.145 -1.761 -9.087
382 1HB ARG 49 1HB ARG 49 6.916 -1.880 -6.994
383 2HB ARG 49 2HB ARG 49 7.532 -0.385 -7.708
384 1HG ARG 49 1HG ARG 49 6.644 -1.018 -9.868
385 2HG ARG 49 2HG ARG 49 6.167 -2.610 -9.278
386 1HD ARG 49 1HD ARG 49 4.562 -1.595 -7.728
387 2HD ARG 49 2HD ARG 49 5.100 0.016 -8.204
388 HE ARG 49 HE ARG 49 3.795 -0.021 -10.034
389 1HH1 ARG 49 2HH2 ARG 49 4.363 -3.491 -9.452
390 2HH1 ARG 49 1HH2 ARG 49 3.044 -3.964 -10.423
391 1HH2 ARG 49 2HH1 ARG 49 2.126 -0.706 -11.389
392 2HH2 ARG 49 1HH1 ARG 49 1.648 -2.370 -11.426
393 H THR 50 H THR 50 10.481 -0.292 -7.821
394 HA THR 50 HA THR 50 11.136 -1.232 -5.091
395 HB THR 50 HB THR 50 13.005 -1.527 -6.414
396 HG1 THR 50 HG1 THR 50 12.939 0.514 -4.492
397 1HG2 THR 50 2HG2 THR 50 12.726 1.412 -6.903
398 2HG2 THR 50 3HG2 THR 50 14.140 0.376 -7.324
399 3HG2 THR 50 1HG2 THR 50 12.562 0.087 -8.102
400 H THR 51 H THR 51 9.152 0.999 -6.552
401 HA THR 51 HA THR 51 9.862 3.144 -4.649
402 HB THR 51 HB THR 51 8.433 4.463 -6.325
403 HG1 THR 51 HG1 THR 51 9.234 2.396 -8.096
404 1HG2 THR 51 3HG2 THR 51 11.160 3.352 -7.054
405 2HG2 THR 51 1HG2 THR 51 10.378 4.684 -7.944
406 3HG2 THR 51 2HG2 THR 51 10.805 4.874 -6.243
407 H VAL 52 H VAL 52 8.353 4.056 -3.385
408 HA VAL 52 HA VAL 52 6.085 2.344 -2.729
409 HB VAL 52 HB VAL 52 5.943 3.720 -0.677
410 1HG1 VAL 52 3HG1 VAL 52 7.438 1.806 -0.814
411 2HG1 VAL 52 1HG1 VAL 52 8.754 2.849 -1.394
412 3HG1 VAL 52 2HG1 VAL 52 8.096 3.055 0.238
413 1HG2 VAL 52 3HG2 VAL 52 6.598 5.920 -1.729
414 2HG2 VAL 52 1HG2 VAL 52 7.269 5.550 -0.148
415 3HG2 VAL 52 2HG2 VAL 52 8.278 5.388 -1.572
416 HA PRO 53 HA PRO 53 4.388 2.588 -1.252
417 1HB PRO 53 1HB PRO 53 1.772 2.690 -0.736
418 2HB PRO 53 2HB PRO 53 2.805 4.087 -0.304
419 1HG PRO 53 1HG PRO 53 1.065 3.730 -2.755
420 2HG PRO 53 2HG PRO 53 1.171 5.158 -1.670
421 1HD PRO 53 1HD PRO 53 2.576 4.837 -4.054
422 2HD PRO 53 2HD PRO 53 3.116 5.903 -2.713
423 H GLN 54 H GLN 54 3.202 0.577 -1.076
424 HA GLN 54 HA GLN 54 1.774 -0.400 -3.451
425 1HB GLN 54 1HB GLN 54 4.062 -1.911 -2.072
426 2HB GLN 54 2HB GLN 54 2.861 -2.634 -3.142
427 1HG GLN 54 1HG GLN 54 4.397 -2.311 -4.724
428 2HG GLN 54 2HG GLN 54 3.740 -0.691 -4.805
429 1HE2 GLN 54 2HE2 GLN 54 7.572 -0.875 -4.372
430 2HE2 GLN 54 1HE2 GLN 54 6.612 -2.145 -5.054
431 H ILE 55 H ILE 55 -0.124 -1.443 -2.678
432 HA ILE 55 HA ILE 55 -0.282 -1.725 0.257
433 HB ILE 55 HB ILE 55 -2.446 -1.329 -1.846
434 1HG1 ILE 55 1HG1 ILE 55 -2.993 0.662 -0.282
435 2HG1 ILE 55 2HG1 ILE 55 -1.390 0.442 0.393
436 1HG2 ILE 55 3HG2 ILE 55 -2.637 -1.831 1.163
437 2HG2 ILE 55 1HG2 ILE 55 -3.995 -1.295 0.165
438 3HG2 ILE 55 2HG2 ILE 55 -3.273 -2.863 -0.133
439 1HD1 ILE 55 2HD1 ILE 55 -1.924 0.994 -2.560
440 2HD1 ILE 55 3HD1 ILE 55 -1.669 2.265 -1.350
441 3HD1 ILE 55 1HD1 ILE 55 -0.367 1.133 -1.705
442 H PHE 56 H PHE 56 -1.058 -3.692 0.986
443 HA PHE 56 HA PHE 56 -1.386 -5.918 -0.918
444 1HB PHE 56 1HB PHE 56 0.317 -5.902 1.614
445 2HB PHE 56 2HB PHE 56 -0.186 -7.344 0.737
446 HD1 PHE 56 HD1 PHE 56 1.849 -4.206 0.433
447 HD2 PHE 56 HD2 PHE 56 0.978 -8.107 -1.190
448 HE1 PHE 56 HE1 PHE 56 3.770 -3.999 -1.148
449 HE2 PHE 56 HE2 PHE 56 2.913 -7.906 -2.700
450 HZ PHE 56 HZ PHE 56 4.297 -5.842 -2.704
451 H ILE 57 H ILE 57 -3.110 -7.165 -0.308
452 HA ILE 57 HA ILE 57 -4.258 -6.800 2.432
453 HB ILE 57 HB ILE 57 -5.846 -6.897 -0.171
454 1HG1 ILE 57 1HG1 ILE 57 -5.593 -4.618 1.845
455 2HG1 ILE 57 2HG1 ILE 57 -4.807 -4.661 0.274
456 1HG2 ILE 57 3HG2 ILE 57 -6.936 -8.131 1.694
457 2HG2 ILE 57 1HG2 ILE 57 -6.810 -6.701 2.730
458 3HG2 ILE 57 2HG2 ILE 57 -7.843 -6.691 1.287
459 1HD1 ILE 57 2HD1 ILE 57 -7.060 -4.784 -0.829
460 2HD1 ILE 57 3HD1 ILE 57 -7.791 -4.498 0.765
461 3HD1 ILE 57 1HD1 ILE 57 -6.721 -3.281 0.051
462 H ASP 58 H ASP 58 -3.867 -8.790 3.309
463 HA ASP 58 HA ASP 58 -3.390 -11.054 3.431
464 1HB ASP 58 1HB ASP 58 -5.816 -11.088 1.682
465 2HB ASP 58 2HB ASP 58 -5.187 -12.511 2.521
466 H ALA 59 H ALA 59 -1.787 -9.950 1.777
467 HA ALA 59 HA ALA 59 -0.133 -10.262 0.281
468 1HB ALA 59 1HB ALA 59 -0.026 -12.532 1.298
469 2HB ALA 59 2HB ALA 59 -1.060 -13.119 -0.016
470 3HB ALA 59 3HB ALA 59 0.546 -12.472 -0.380
471 H GLN 60 H GLN 60 -3.252 -10.065 -0.739
472 HA GLN 60 HA GLN 60 -2.841 -10.430 -3.614
473 1HB GLN 60 1HB GLN 60 -4.905 -8.745 -2.117
474 2HB GLN 60 2HB GLN 60 -4.947 -9.154 -3.816
475 1HG GLN 60 1HG GLN 60 -5.587 -11.369 -3.437
476 2HG GLN 60 2HG GLN 60 -4.933 -11.418 -1.804
477 1HE2 GLN 60 2HE2 GLN 60 -7.793 -10.110 -0.137
478 2HE2 GLN 60 1HE2 GLN 60 -6.055 -10.256 -0.106
479 H HIS 61 H HIS 61 -1.167 -9.201 -4.413
480 HA HIS 61 HA HIS 61 -0.422 -6.647 -3.192
481 1HB HIS 61 1HB HIS 61 1.334 -8.061 -4.225
482 2HB HIS 61 2HB HIS 61 0.453 -8.110 -5.740
483 HD1 HIS 61 HD1 HIS 61 1.884 -6.768 -7.420
484 HD2 HIS 61 HD2 HIS 61 1.275 -4.887 -3.665
485 HE1 HIS 61 HE1 HIS 61 2.779 -4.375 -7.654
486 HE2 HIS 61 HE2 HIS 61 2.246 -3.181 -5.410
487 H ILE 62 H ILE 62 -1.626 -4.795 -3.606
488 HA ILE 62 HA ILE 62 -3.642 -4.892 -5.630
489 HB ILE 62 HB ILE 62 -2.644 -2.407 -4.189
490 1HG1 ILE 62 1HG1 ILE 62 -2.980 -3.911 -2.413
491 2HG1 ILE 62 2HG1 ILE 62 -4.365 -2.857 -2.447
492 1HG2 ILE 62 3HG2 ILE 62 -5.326 -3.191 -5.391
493 2HG2 ILE 62 1HG2 ILE 62 -5.059 -1.747 -4.403
494 3HG2 ILE 62 2HG2 ILE 62 -4.237 -1.909 -5.954
495 1HD1 ILE 62 3HD1 ILE 62 -4.415 -5.688 -3.585
496 2HD1 ILE 62 1HD1 ILE 62 -4.989 -5.216 -1.991
497 3HD1 ILE 62 2HD1 ILE 62 -5.786 -4.566 -3.433
498 H GLY 63 H GLY 63 -0.517 -3.219 -5.420
499 1HA GLY 63 1HA GLY 63 0.551 -3.027 -7.847
500 2HA GLY 63 2HA GLY 63 -0.867 -1.994 -8.077
501 H GLY 64 H GLY 64 -0.271 0.072 -7.880
502 1HA GLY 64 1HA GLY 64 1.379 0.982 -5.600
503 2HA GLY 64 2HA GLY 64 1.100 1.860 -7.105
504 H TYR 65 H TYR 65 0.088 3.657 -6.208
505 HA TYR 65 HA TYR 65 -2.107 3.344 -4.246
506 1HB TYR 65 1HB TYR 65 -0.552 5.066 -3.618
507 2HB TYR 65 2HB TYR 65 -0.535 5.733 -5.237
508 HD1 TYR 65 HD2 TYR 65 -2.965 4.961 -2.478
509 HD2 TYR 65 HD1 TYR 65 -1.933 7.567 -5.754
510 HE1 TYR 65 HE2 TYR 65 -4.774 6.486 -1.827
511 HE2 TYR 65 HE1 TYR 65 -3.741 9.124 -5.090
512 HH TYR 65 HH TYR 65 -5.188 9.703 -3.216
513 H ASP 66 H ASP 66 -1.462 4.803 -7.526
514 HA ASP 66 HA ASP 66 -4.153 5.600 -7.996
515 1HB ASP 66 1HB ASP 66 -1.858 4.843 -9.808
516 2HB ASP 66 2HB ASP 66 -3.473 5.089 -10.469
517 H ASP 67 H ASP 67 -2.548 2.429 -8.278
518 HA ASP 67 HA ASP 67 -4.661 0.972 -9.522
519 1HB ASP 67 1HB ASP 67 -2.645 0.045 -7.426
520 2HB ASP 67 2HB ASP 67 -3.729 -1.011 -8.322
521 H LEU 68 H LEU 68 -3.866 1.544 -6.068
522 HA LEU 68 HA LEU 68 -6.073 0.064 -5.013
523 1HB LEU 68 1HB LEU 68 -4.029 0.757 -3.689
524 2HB LEU 68 2HB LEU 68 -4.626 2.412 -3.725
525 HG LEU 68 HG LEU 68 -6.882 1.150 -2.784
526 1HD1 LEU 68 3HD1 LEU 68 -4.555 -0.559 -1.961
527 2HD1 LEU 68 1HD1 LEU 68 -5.991 -0.417 -0.944
528 3HD1 LEU 68 2HD1 LEU 68 -6.145 -1.045 -2.583
529 1HD2 LEU 68 1HD2 LEU 68 -5.875 3.114 -1.822
530 2HD2 LEU 68 2HD2 LEU 68 -6.396 1.940 -0.626
531 3HD2 LEU 68 3HD2 LEU 68 -4.655 2.096 -1.011
532 H TYR 69 H TYR 69 -5.679 3.553 -5.619
533 HA TYR 69 HA TYR 69 -8.149 4.517 -4.713
534 1HB TYR 69 1HB TYR 69 -6.355 5.998 -5.455
535 2HB TYR 69 2HB TYR 69 -6.386 5.336 -7.066
536 HD1 TYR 69 HD2 TYR 69 -8.620 7.187 -4.636
537 HD2 TYR 69 HD1 TYR 69 -7.773 6.185 -8.742
538 HE1 TYR 69 HE2 TYR 69 -10.466 8.654 -5.363
539 HE2 TYR 69 HE1 TYR 69 -9.634 7.638 -9.484
540 HH TYR 69 HH TYR 69 -11.903 9.096 -7.216
541 H ALA 70 H ALA 70 -7.276 3.257 -7.900
542 HA ALA 70 HA ALA 70 -9.905 3.661 -9.030
543 1HB ALA 70 3HB ALA 70 -7.833 3.440 -10.354
544 2HB ALA 70 1HB ALA 70 -7.702 1.731 -9.892
545 3HB ALA 70 2HB ALA 70 -9.077 2.284 -10.877
546 H LEU 71 H LEU 71 -8.326 0.953 -7.387
547 HA LEU 71 HA LEU 71 -10.451 -0.970 -7.812
548 1HB LEU 71 1HB LEU 71 -7.915 -1.208 -6.959
549 2HB LEU 71 2HB LEU 71 -8.651 -1.068 -5.381
550 HG LEU 71 HG LEU 71 -9.564 -3.095 -7.490
551 1HD1 LEU 71 1HD1 LEU 71 -7.195 -3.430 -6.894
552 2HD1 LEU 71 2HD1 LEU 71 -7.668 -3.526 -5.168
553 3HD1 LEU 71 3HD1 LEU 71 -8.234 -4.751 -6.324
554 1HD2 LEU 71 2HD2 LEU 71 -10.010 -3.047 -4.515
555 2HD2 LEU 71 3HD2 LEU 71 -11.237 -2.871 -5.809
556 3HD2 LEU 71 1HD2 LEU 71 -10.406 -4.399 -5.586
557 H ASP 72 H ASP 72 -9.725 1.441 -5.311
558 HA ASP 72 HA ASP 72 -11.838 0.794 -3.501
559 1HB ASP 72 1HB ASP 72 -9.808 2.247 -3.015
560 2HB ASP 72 2HB ASP 72 -10.546 3.525 -3.971
561 H ALA 73 H ALA 73 -11.556 3.429 -5.829
562 HA ALA 73 HA ALA 73 -14.227 4.220 -5.752
563 1HB ALA 73 2HB ALA 73 -12.348 5.606 -6.612
564 2HB ALA 73 3HB ALA 73 -12.256 4.571 -8.054
565 3HB ALA 73 1HB ALA 73 -13.700 5.563 -7.758
566 H ARG 74 H ARG 74 -13.062 1.443 -7.499
567 HA ARG 74 HA ARG 74 -15.493 1.273 -9.137
568 1HB ARG 74 1HB ARG 74 -14.539 -0.440 -10.170
569 2HB ARG 74 2HB ARG 74 -13.063 0.204 -9.532
570 1HG ARG 74 1HG ARG 74 -13.228 -1.464 -7.647
571 2HG ARG 74 2HG ARG 74 -14.637 -2.160 -8.429
572 1HD ARG 74 1HD ARG 74 -13.216 -2.647 -10.444
573 2HD ARG 74 2HD ARG 74 -11.831 -1.982 -9.581
574 HE ARG 74 HE ARG 74 -11.581 -3.961 -8.486
575 1HH1 ARG 74 2HH2 ARG 74 -14.893 -3.973 -9.824
576 2HH1 ARG 74 1HH2 ARG 74 -15.202 -5.585 -9.248
577 1HH2 ARG 74 2HH1 ARG 74 -12.077 -6.007 -7.717
578 2HH2 ARG 74 1HH1 ARG 74 -13.702 -6.645 -7.805
579 H GLY 75 H GLY 75 -14.850 0.921 -5.854
580 1HA GLY 75 1HA GLY 75 -16.107 0.191 -4.136
581 2HA GLY 75 2HA GLY 75 -17.276 -0.533 -5.257
582 H GLY 76 H GLY 76 -13.814 -1.484 -5.752
583 1HA GLY 76 1HA GLY 76 -14.832 -4.215 -5.328
584 2HA GLY 76 2HA GLY 76 -13.307 -3.724 -6.074
585 H LEU 77 H LEU 77 -12.578 -1.824 -4.008
586 HA LEU 77 HA LEU 77 -10.989 -3.603 -2.531
587 1HB LEU 77 1HB LEU 77 -10.552 -1.172 -3.282
588 2HB LEU 77 2HB LEU 77 -11.436 -0.655 -1.863
589 HG LEU 77 HG LEU 77 -8.764 -2.055 -2.019
590 1HD1 LEU 77 3HD1 LEU 77 -9.805 0.533 -0.774
591 2HD1 LEU 77 1HD1 LEU 77 -8.133 -0.007 -0.716
592 3HD1 LEU 77 2HD1 LEU 77 -8.882 0.376 -2.282
593 1HD2 LEU 77 2HD2 LEU 77 -10.443 -1.647 0.486
594 2HD2 LEU 77 3HD2 LEU 77 -9.745 -3.174 -0.122
595 3HD2 LEU 77 1HD2 LEU 77 -8.685 -1.910 0.491
596 H ASP 78 H ASP 78 -13.739 -1.493 -1.601
597 HA ASP 78 HA ASP 78 -13.585 -1.642 1.104
598 1HB ASP 78 1HB ASP 78 -15.135 -0.137 -0.011
599 2HB ASP 78 2HB ASP 78 -16.129 -1.465 -0.560
600 HA PRO 79 HA PRO 79 -15.981 -5.655 1.724
601 1HB PRO 79 1HB PRO 79 -16.819 -7.259 -0.301
602 2HB PRO 79 2HB PRO 79 -17.751 -5.815 0.213
603 1HG PRO 79 1HG PRO 79 -15.714 -6.029 -2.031
604 2HG PRO 79 2HG PRO 79 -17.385 -5.392 -2.146
605 1HD PRO 79 1HD PRO 79 -15.292 -3.738 -1.827
606 2HD PRO 79 2HD PRO 79 -16.832 -3.452 -0.966
607 H LEU 80 H LEU 80 -13.455 -5.461 -0.737
608 HA LEU 80 HA LEU 80 -12.447 -8.190 -0.373
609 1HB LEU 80 1HB LEU 80 -11.501 -5.751 -1.862
610 2HB LEU 80 2HB LEU 80 -10.352 -6.997 -1.462
611 HG LEU 80 HG LEU 80 -12.885 -7.553 -3.027
612 1HD1 LEU 80 3HD1 LEU 80 -11.368 -6.036 -4.272
613 2HD1 LEU 80 1HD1 LEU 80 -10.029 -7.167 -4.033
614 3HD1 LEU 80 2HD1 LEU 80 -11.431 -7.637 -5.019
615 1HD2 LEU 80 2HD2 LEU 80 -10.370 -9.228 -2.577
616 2HD2 LEU 80 3HD2 LEU 80 -11.992 -9.590 -1.962
617 3HD2 LEU 80 1HD2 LEU 80 -11.685 -9.638 -3.692
618 H LEU 81 H LEU 81 -12.362 -5.293 1.454
619 HA LEU 81 HA LEU 81 -9.908 -5.782 2.823
620 1HB LEU 81 1HB LEU 81 -11.737 -3.753 2.724
621 2HB LEU 81 2HB LEU 81 -12.258 -4.516 4.211
622 HG LEU 81 HG LEU 81 -10.806 -2.646 4.642
623 1HD1 LEU 81 3HD1 LEU 81 -10.545 -4.610 6.156
624 2HD1 LEU 81 1HD1 LEU 81 -9.090 -5.068 5.256
625 3HD1 LEU 81 2HD1 LEU 81 -9.166 -3.515 6.122
626 1HD2 LEU 81 3HD2 LEU 81 -8.719 -4.041 2.912
627 2HD2 LEU 81 1HD2 LEU 81 -9.626 -2.558 2.551
628 3HD2 LEU 81 2HD2 LEU 81 -8.450 -2.586 3.857
629 H LYS 82 H LYS 82 -12.702 -7.766 2.761
630 HA LYS 82 HA LYS 82 -12.313 -8.776 5.484
631 1HB LYS 82 1HB LYS 82 -14.202 -9.419 3.254
632 2HB LYS 82 2HB LYS 82 -13.568 -10.805 4.141
633 1HG LYS 82 1HG LYS 82 -14.120 -9.378 6.299
634 2HG LYS 82 2HG LYS 82 -15.199 -8.507 5.211
635 1HD LYS 82 1HD LYS 82 -16.249 -10.767 4.647
636 2HD LYS 82 2HD LYS 82 -15.200 -11.480 5.878
637 1HE LYS 82 1HE LYS 82 -17.446 -9.490 6.281
638 2HE LYS 82 2HE LYS 82 -17.328 -11.155 6.881
639 1HZ LYS 82 1HZ LYS 82 -15.404 -10.345 8.256
640 2HZ LYS 82 2HZ LYS 82 -15.754 -8.822 7.790
641 3HZ LYS 82 3HZ LYS 82 -16.823 -9.655 8.680
642 1HB2 GTT 83 1HB2 GTT 83 10.024 7.743 -2.290
643 2HB2 GTT 83 2HB2 GTT 83 11.158 8.660 -3.284
644 HA2 GTT 83 HA2 GTT 83 10.844 7.343 -5.130
645 HN2 GTT 83 HN2 GTT 83 8.127 6.590 -4.146
646 1HG1 GTT 83 1HG1 GTT 83 6.419 7.414 -5.532
647 2HG1 GTT 83 2HG1 GTT 83 6.700 5.844 -6.257
648 1HB1 GTT 83 1HB1 GTT 83 6.429 6.558 -8.369
649 2HB1 GTT 83 2HB1 GTT 83 7.174 8.143 -8.104
650 HA1 GTT 83 HA1 GTT 83 4.490 7.529 -6.881
651 1HN1 GTT 83 1HN1 GTT 83 3.804 8.899 -8.905
652 2HN1 GTT 83 2HN1 GTT 83 5.072 8.172 -9.628
653 3HN1 GTT 83 3HN1 GTT 83 3.845 7.236 -9.020
654 HN3 GTT 83 HN3 GTT 83 12.669 6.142 -4.202
655 1HA3 GTT 83 1HA3 GTT 83 12.055 3.766 -2.572
656 2HA3 GTT 83 2HA3 GTT 83 12.307 3.481 -4.293
No H/Q in entry = 656
Start of MODEL 11
1 1H ALA 1 1H ALA 1 -8.577 -9.880 5.486
2 2H ALA 1 2H ALA 1 -9.057 -10.243 7.028
3 3H ALA 1 3H ALA 1 -9.978 -9.246 6.080
4 HA ALA 1 HA ALA 1 -8.293 -7.626 5.991
5 1HB ALA 1 2HB ALA 1 -9.968 -7.464 7.811
6 2HB ALA 1 3HB ALA 1 -8.900 -8.419 8.862
7 3HB ALA 1 1HB ALA 1 -8.383 -6.820 8.277
8 H ASN 2 H ASN 2 -6.280 -8.086 5.293
9 HA ASN 2 HA ASN 2 -4.338 -7.812 7.476
10 1HB ASN 2 1HB ASN 2 -4.291 -10.222 6.799
11 2HB ASN 2 2HB ASN 2 -3.896 -9.758 5.164
12 1HD2 ASN 2 2HD2 ASN 2 -0.482 -8.817 5.800
13 2HD2 ASN 2 1HD2 ASN 2 -1.906 -8.423 4.849
14 H VAL 3 H VAL 3 -4.978 -5.566 6.568
15 HA VAL 3 HA VAL 3 -4.086 -4.900 3.873
16 HB VAL 3 HB VAL 3 -4.808 -3.202 6.296
17 1HG1 VAL 3 2HG1 VAL 3 -4.430 -2.345 3.385
18 2HG1 VAL 3 3HG1 VAL 3 -5.068 -1.322 4.691
19 3HG1 VAL 3 1HG1 VAL 3 -3.396 -1.881 4.750
20 1HG2 VAL 3 3HG2 VAL 3 -6.721 -4.511 5.430
21 2HG2 VAL 3 1HG2 VAL 3 -6.903 -2.765 5.232
22 3HG2 VAL 3 2HG2 VAL 3 -6.483 -3.770 3.830
23 H GLU 4 H GLU 4 -2.063 -4.209 3.330
24 HA GLU 4 HA GLU 4 -0.223 -3.296 5.415
25 1HB GLU 4 1HB GLU 4 0.385 -5.176 3.095
26 2HB GLU 4 2HB GLU 4 1.640 -4.389 4.042
27 1HG GLU 4 1HG GLU 4 1.051 -5.615 6.021
28 2HG GLU 4 2HG GLU 4 -0.429 -6.233 5.292
29 H ILE 5 H ILE 5 0.972 -1.480 4.639
30 HA ILE 5 HA ILE 5 0.894 -0.829 1.771
31 HB ILE 5 HB ILE 5 -0.946 0.439 2.339
32 1HG1 ILE 5 1HG1 ILE 5 1.251 2.418 2.844
33 2HG1 ILE 5 2HG1 ILE 5 1.067 1.661 1.258
34 1HG2 ILE 5 1HG2 ILE 5 0.419 1.377 4.891
35 2HG2 ILE 5 2HG2 ILE 5 -1.150 1.953 4.301
36 3HG2 ILE 5 3HG2 ILE 5 -0.952 0.266 4.771
37 1HD1 ILE 5 3HD1 ILE 5 -0.956 3.466 2.654
38 2HD1 ILE 5 1HD1 ILE 5 0.086 3.874 1.293
39 3HD1 ILE 5 2HD1 ILE 5 -1.205 2.677 1.084
40 H TYR 6 H TYR 6 2.952 -0.912 1.277
41 HA TYR 6 HA TYR 6 5.071 -0.497 3.312
42 1HB TYR 6 1HB TYR 6 4.849 -1.657 0.521
43 2HB TYR 6 2HB TYR 6 6.370 -0.954 1.015
44 HD1 TYR 6 HD2 TYR 6 3.827 -3.302 2.541
45 HD2 TYR 6 HD1 TYR 6 7.954 -2.333 1.846
46 HE1 TYR 6 HE2 TYR 6 4.522 -5.390 3.736
47 HE2 TYR 6 HE1 TYR 6 8.655 -4.471 2.891
48 HH TYR 6 HH TYR 6 7.860 -6.584 3.732
49 H THR 7 H THR 7 5.787 1.633 3.588
50 HA THR 7 HA THR 7 6.152 3.194 1.121
51 HB THR 7 HB THR 7 5.208 5.121 1.912
52 HG1 THR 7 HG1 THR 7 4.893 3.824 4.396
53 1HG2 THR 7 3HG2 THR 7 3.540 3.388 1.059
54 2HG2 THR 7 1HG2 THR 7 3.168 3.097 2.767
55 3HG2 THR 7 2HG2 THR 7 2.871 4.695 2.023
56 H LYS 8 H LYS 8 7.235 5.534 2.098
57 HA LYS 8 HA LYS 8 9.159 4.821 4.126
58 1HB LYS 8 1HB LYS 8 11.105 5.520 3.017
59 2HB LYS 8 2HB LYS 8 10.407 4.228 2.064
60 1HG LYS 8 1HG LYS 8 10.186 5.555 0.214
61 2HG LYS 8 2HG LYS 8 9.535 6.905 1.124
62 1HD LYS 8 1HD LYS 8 11.598 7.647 0.188
63 2HD LYS 8 2HD LYS 8 11.845 7.465 1.934
64 1HE LYS 8 1HE LYS 8 12.957 5.285 1.585
65 2HE LYS 8 2HE LYS 8 12.556 5.360 -0.140
66 1HZ LYS 8 2HZ LYS 8 13.956 7.507 -0.078
67 2HZ LYS 8 3HZ LYS 8 14.673 6.829 1.244
68 3HZ LYS 8 1HZ LYS 8 14.610 6.046 -0.211
69 H GLU 9 H GLU 9 10.001 6.739 5.076
70 HA GLU 9 HA GLU 9 8.370 8.774 5.669
71 1HB GLU 9 1HB GLU 9 10.443 8.231 6.851
72 2HB GLU 9 2HB GLU 9 11.412 8.829 5.499
73 1HG GLU 9 1HG GLU 9 10.413 11.124 5.866
74 2HG GLU 9 2HG GLU 9 9.536 10.468 7.251
75 H THR 10 H THR 10 11.111 9.281 3.318
76 HA THR 10 HA THR 10 10.123 11.876 2.652
77 HB THR 10 HB THR 10 12.233 11.728 1.192
78 HG1 THR 10 HG1 THR 10 13.592 10.092 1.580
79 1HG2 THR 10 3HG2 THR 10 12.138 12.803 3.434
80 2HG2 THR 10 1HG2 THR 10 12.504 11.235 4.185
81 3HG2 THR 10 2HG2 THR 10 13.697 12.019 3.126
82 H CYS 11 H CYS 11 7.992 10.713 1.874
83 HA CYS 11 HA CYS 11 8.110 10.873 -1.039
84 1HB CYS 11 1HB CYS 11 8.792 8.508 -0.327
85 2HB CYS 11 2HB CYS 11 7.132 8.261 0.132
86 HA PRO 12 HA PRO 12 4.134 12.429 0.590
87 1HB PRO 12 1HB PRO 12 3.564 14.098 -1.531
88 2HB PRO 12 2HB PRO 12 4.486 14.561 -0.072
89 1HG PRO 12 1HG PRO 12 5.527 13.752 -2.783
90 2HG PRO 12 2HG PRO 12 6.138 15.035 -1.697
91 1HD PRO 12 1HD PRO 12 7.349 12.622 -1.847
92 2HD PRO 12 2HD PRO 12 7.227 13.480 -0.300
93 H TYR 13 H TYR 13 4.764 11.081 -2.709
94 HA TYR 13 HA TYR 13 2.117 10.491 -3.488
95 1HB TYR 13 1HB TYR 13 4.394 10.117 -4.751
96 2HB TYR 13 2HB TYR 13 4.613 8.727 -3.736
97 HD1 TYR 13 HD1 TYR 13 1.543 9.978 -5.587
98 HD2 TYR 13 HD2 TYR 13 4.590 6.940 -5.225
99 HE1 TYR 13 HE1 TYR 13 0.442 8.670 -7.346
100 HE2 TYR 13 HE2 TYR 13 3.475 5.608 -6.968
101 HH TYR 13 HH TYR 13 0.912 6.886 -8.945
102 H SER 14 H SER 14 4.322 8.855 -1.271
103 HA SER 14 HA SER 14 2.658 6.658 -0.574
104 1HB SER 14 1HB SER 14 4.591 6.095 0.261
105 2HB SER 14 2HB SER 14 5.270 7.641 -0.102
106 HG SER 14 HG SER 14 5.357 8.026 1.954
107 H HIS 15 H HIS 15 3.209 9.851 1.022
108 HA HIS 15 HA HIS 15 1.348 9.412 3.139
109 1HB HIS 15 1HB HIS 15 2.358 11.950 1.824
110 2HB HIS 15 2HB HIS 15 1.032 12.020 2.961
111 HD1 HIS 15 HD1 HIS 15 1.963 12.858 5.175
112 HD2 HIS 15 HD2 HIS 15 4.374 9.943 3.268
113 HE1 HIS 15 HE1 HIS 15 3.846 12.253 6.819
114 HE2 HIS 15 HE2 HIS 15 5.282 10.430 5.640
115 H ARG 16 H ARG 16 0.745 10.755 -0.103
116 HA ARG 16 HA ARG 16 -2.026 11.081 0.004
117 1HB ARG 16 1HB ARG 16 0.050 10.787 -2.033
118 2HB ARG 16 2HB ARG 16 -1.402 10.005 -2.552
119 1HG ARG 16 1HG ARG 16 -2.682 12.092 -2.169
120 2HG ARG 16 2HG ARG 16 -1.244 12.875 -1.505
121 1HD ARG 16 1HD ARG 16 -0.484 13.452 -3.529
122 2HD ARG 16 2HD ARG 16 -0.625 11.804 -4.130
123 HE ARG 16 HE ARG 16 -2.840 13.827 -4.086
124 1HH1 ARG 16 2HH2 ARG 16 -0.954 11.558 -6.046
125 2HH1 ARG 16 1HH2 ARG 16 -2.233 11.187 -7.135
126 1HH2 ARG 16 2HH1 ARG 16 -4.563 13.435 -5.717
127 2HH2 ARG 16 1HH1 ARG 16 -4.123 12.519 -7.104
128 H ALA 17 H ALA 17 -0.351 7.960 -0.795
129 HA ALA 17 HA ALA 17 -2.828 6.561 -0.866
130 1HB ALA 17 2HB ALA 17 -0.771 5.688 -1.881
131 2HB ALA 17 3HB ALA 17 -0.038 5.508 -0.273
132 3HB ALA 17 1HB ALA 17 -1.448 4.516 -0.732
133 H LYS 18 H LYS 18 -0.986 7.453 1.939
134 HA LYS 18 HA LYS 18 -2.543 5.592 3.639
135 1HB LYS 18 1HB LYS 18 -0.556 7.789 4.361
136 2HB LYS 18 2HB LYS 18 -1.585 6.993 5.552
137 1HG LYS 18 1HG LYS 18 0.270 5.630 5.687
138 2HG LYS 18 2HG LYS 18 -0.734 4.750 4.567
139 1HD LYS 18 1HD LYS 18 1.381 4.644 3.636
140 2HD LYS 18 2HD LYS 18 0.542 5.820 2.672
141 1HE LYS 18 1HE LYS 18 2.708 6.765 3.072
142 2HE LYS 18 2HE LYS 18 1.602 7.637 4.139
143 1HZ LYS 18 3HZ LYS 18 2.371 6.048 5.915
144 2HZ LYS 18 1HZ LYS 18 3.574 5.565 4.882
145 3HZ LYS 18 2HZ LYS 18 3.483 7.104 5.396
146 H ALA 19 H ALA 19 -2.599 9.079 2.867
147 HA ALA 19 HA ALA 19 -4.869 9.669 4.499
148 1HB ALA 19 3HB ALA 19 -3.350 11.381 3.532
149 2HB ALA 19 1HB ALA 19 -3.946 10.983 1.903
150 3HB ALA 19 2HB ALA 19 -5.048 11.678 3.111
151 H LEU 20 H LEU 20 -4.600 8.089 1.361
152 HA LEU 20 HA LEU 20 -7.403 8.249 0.693
153 1HB LEU 20 1HB LEU 20 -5.556 7.677 -0.838
154 2HB LEU 20 2HB LEU 20 -5.355 6.126 -0.052
155 HG LEU 20 HG LEU 20 -7.056 6.885 -2.249
156 1HD1 LEU 20 1HD1 LEU 20 -6.674 4.212 -0.850
157 2HD1 LEU 20 2HD1 LEU 20 -7.438 4.423 -2.427
158 3HD1 LEU 20 3HD1 LEU 20 -5.735 4.825 -2.238
159 1HD2 LEU 20 3HD2 LEU 20 -8.895 7.127 -0.566
160 2HD2 LEU 20 1HD2 LEU 20 -9.146 5.860 -1.775
161 3HD2 LEU 20 2HD2 LEU 20 -8.634 5.402 -0.146
162 H LEU 21 H LEU 21 -5.434 5.616 2.211
163 HA LEU 21 HA LEU 21 -7.636 3.965 2.887
164 1HB LEU 21 1HB LEU 21 -4.832 4.318 3.912
165 2HB LEU 21 2HB LEU 21 -5.889 3.181 4.731
166 HG LEU 21 HG LEU 21 -5.529 3.114 1.715
167 1HD1 LEU 21 3HD1 LEU 21 -3.307 3.009 2.646
168 2HD1 LEU 21 1HD1 LEU 21 -3.784 1.675 3.722
169 3HD1 LEU 21 2HD1 LEU 21 -3.775 1.449 1.948
170 1HD2 LEU 21 1HD2 LEU 21 -6.264 0.932 3.717
171 2HD2 LEU 21 2HD2 LEU 21 -7.391 1.757 2.621
172 3HD2 LEU 21 3HD2 LEU 21 -6.121 0.723 1.962
173 H SER 22 H SER 22 -6.087 6.569 4.863
174 HA SER 22 HA SER 22 -7.963 6.397 6.994
175 1HB SER 22 1HB SER 22 -5.994 8.440 5.971
176 2HB SER 22 2HB SER 22 -7.182 8.921 7.191
177 HG SER 22 HG SER 22 -6.546 7.327 8.509
178 H SER 23 H SER 23 -8.200 8.243 3.891
179 HA SER 23 HA SER 23 -10.634 9.585 4.510
180 1HB SER 23 1HB SER 23 -9.242 10.161 2.588
181 2HB SER 23 2HB SER 23 -9.502 8.577 1.864
182 HG SER 23 HG SER 23 -11.015 10.811 1.801
183 H LYS 24 H LYS 24 -9.957 6.236 3.584
184 HA LYS 24 HA LYS 24 -12.838 5.538 3.430
185 1HB LYS 24 1HB LYS 24 -10.233 4.176 2.743
186 2HB LYS 24 2HB LYS 24 -11.708 3.229 2.970
187 1HG LYS 24 1HG LYS 24 -11.241 3.794 0.621
188 2HG LYS 24 2HG LYS 24 -12.830 4.305 1.198
189 1HD LYS 24 1HD LYS 24 -12.055 6.648 1.346
190 2HD LYS 24 2HD LYS 24 -10.443 6.139 0.850
191 1HE LYS 24 1HE LYS 24 -11.690 7.179 -0.956
192 2HE LYS 24 2HE LYS 24 -11.269 5.516 -1.319
193 1HZ LYS 24 3HZ LYS 24 -13.931 6.193 -0.210
194 2HZ LYS 24 1HZ LYS 24 -13.576 6.166 -1.852
195 3HZ LYS 24 2HZ LYS 24 -13.396 4.812 -0.997
196 H GLY 25 H GLY 25 -10.798 6.139 5.928
197 1HA GLY 25 1HA GLY 25 -10.826 5.694 8.127
198 2HA GLY 25 2HA GLY 25 -12.379 4.889 7.906
199 H VAL 26 H VAL 26 -9.583 3.612 6.088
200 HA VAL 26 HA VAL 26 -10.170 1.073 7.430
201 HB VAL 26 HB VAL 26 -7.959 1.358 5.404
202 1HG1 VAL 26 1HG1 VAL 26 -8.529 -0.842 6.419
203 2HG1 VAL 26 2HG1 VAL 26 -10.170 -0.700 5.763
204 3HG1 VAL 26 3HG1 VAL 26 -8.770 -0.829 4.672
205 1HG2 VAL 26 3HG2 VAL 26 -10.905 1.462 4.640
206 2HG2 VAL 26 1HG2 VAL 26 -9.641 2.650 4.260
207 3HG2 VAL 26 2HG2 VAL 26 -9.588 1.058 3.521
208 H SER 27 H SER 27 -8.722 -0.077 8.689
209 HA SER 27 HA SER 27 -6.386 1.332 9.807
210 1HB SER 27 1HB SER 27 -8.123 0.098 11.218
211 2HB SER 27 2HB SER 27 -7.518 -1.410 10.504
212 HG SER 27 HG SER 27 -6.632 -0.573 12.595
213 H PHE 28 H PHE 28 -4.313 0.168 9.711
214 HA PHE 28 HA PHE 28 -3.875 -1.759 7.503
215 1HB PHE 28 1HB PHE 28 -2.395 -0.107 6.364
216 2HB PHE 28 2HB PHE 28 -4.089 0.316 6.287
217 HD1 PHE 28 HD1 PHE 28 -5.010 2.178 7.633
218 HD2 PHE 28 HD2 PHE 28 -0.787 1.379 7.511
219 HE1 PHE 28 HE1 PHE 28 -4.591 4.375 8.658
220 HE2 PHE 28 HE2 PHE 28 -0.346 3.612 8.500
221 HZ PHE 28 HZ PHE 28 -2.225 5.102 9.120
222 H GLN 29 H GLN 29 -1.517 -2.089 7.211
223 HA GLN 29 HA GLN 29 0.051 -1.746 9.683
224 1HB GLN 29 1HB GLN 29 -0.692 -4.208 8.544
225 2HB GLN 29 2HB GLN 29 0.859 -3.900 7.784
226 1HG GLN 29 1HG GLN 29 1.238 -5.173 9.765
227 2HG GLN 29 2HG GLN 29 1.835 -3.545 10.085
228 1HE2 GLN 29 2HE2 GLN 29 -0.225 -3.388 12.990
229 2HE2 GLN 29 1HE2 GLN 29 1.252 -2.882 12.189
230 H GLU 30 H GLU 30 1.061 0.119 9.086
231 HA GLU 30 HA GLU 30 2.049 0.447 6.328
232 1HB GLU 30 1HB GLU 30 1.512 2.287 8.344
233 2HB GLU 30 2HB GLU 30 3.272 2.114 8.414
234 1HG GLU 30 1HG GLU 30 2.109 2.508 5.675
235 2HG GLU 30 2HG GLU 30 1.958 3.850 6.781
236 H LEU 31 H LEU 31 4.092 -0.124 5.735
237 HA LEU 31 HA LEU 31 5.984 -1.167 7.793
238 1HB LEU 31 1HB LEU 31 5.509 -2.228 4.985
239 2HB LEU 31 2HB LEU 31 6.872 -2.642 6.002
240 HG LEU 31 HG LEU 31 5.424 -4.397 6.091
241 1HD1 LEU 31 2HD1 LEU 31 6.367 -3.685 8.325
242 2HD1 LEU 31 3HD1 LEU 31 4.793 -2.979 8.708
243 3HD1 LEU 31 1HD1 LEU 31 4.934 -4.724 8.429
244 1HD2 LEU 31 1HD2 LEU 31 3.340 -3.218 5.339
245 2HD2 LEU 31 2HD2 LEU 31 3.136 -4.517 6.535
246 3HD2 LEU 31 3HD2 LEU 31 3.069 -2.830 7.053
247 HA PRO 32 HA PRO 32 7.876 2.539 5.825
248 1HB PRO 32 1HB PRO 32 9.196 2.166 8.528
249 2HB PRO 32 2HB PRO 32 8.943 3.664 7.572
250 1HG PRO 32 1HG PRO 32 7.186 3.072 9.519
251 2HG PRO 32 2HG PRO 32 6.562 3.556 7.918
252 1HD PRO 32 1HD PRO 32 6.890 0.745 9.028
253 2HD PRO 32 2HD PRO 32 5.492 1.484 8.189
254 H ILE 33 H ILE 33 9.158 1.819 4.286
255 HA ILE 33 HA ILE 33 11.273 -0.106 4.884
256 HB ILE 33 HB ILE 33 11.517 0.136 2.239
257 1HG1 ILE 33 1HG1 ILE 33 8.528 0.396 2.666
258 2HG1 ILE 33 2HG1 ILE 33 9.578 1.665 1.987
259 1HG2 ILE 33 1HG2 ILE 33 11.339 -1.841 3.664
260 2HG2 ILE 33 2HG2 ILE 33 9.587 -1.566 3.868
261 3HG2 ILE 33 3HG2 ILE 33 10.259 -2.040 2.296
262 1HD1 ILE 33 1HD1 ILE 33 9.367 -1.051 0.654
263 2HD1 ILE 33 2HD1 ILE 33 8.220 0.253 0.383
264 3HD1 ILE 33 3HD1 ILE 33 9.929 0.490 -0.004
265 H ASP 34 H ASP 34 11.090 3.002 5.322
266 HA ASP 34 HA ASP 34 13.624 3.839 4.213
267 1HB ASP 34 1HB ASP 34 13.506 5.552 6.186
268 2HB ASP 34 2HB ASP 34 12.369 5.694 4.864
269 H GLY 35 H GLY 35 15.565 4.096 5.494
270 1HA GLY 35 1HA GLY 35 17.166 3.532 7.025
271 2HA GLY 35 2HA GLY 35 15.934 2.778 8.034
272 H ASN 36 H ASN 36 15.061 0.816 5.988
273 HA ASN 36 HA ASN 36 17.424 -1.033 6.137
274 1HB ASN 36 1HB ASN 36 15.439 -2.787 5.956
275 2HB ASN 36 2HB ASN 36 15.944 -2.108 7.482
276 1HD2 ASN 36 2HD2 ASN 36 12.507 -0.469 5.924
277 2HD2 ASN 36 1HD2 ASN 36 13.790 -1.029 4.873
278 H ALA 37 H ALA 37 18.296 -0.842 4.058
279 HA ALA 37 HA ALA 37 16.663 -0.734 1.693
280 1HB ALA 37 2HB ALA 37 19.559 -1.602 2.031
281 2HB ALA 37 3HB ALA 37 18.752 -1.273 0.481
282 3HB ALA 37 1HB ALA 37 18.991 0.037 1.650
283 H ALA 38 H ALA 38 17.690 -3.363 3.722
284 HA ALA 38 HA ALA 38 17.357 -5.544 1.943
285 1HB ALA 38 3HB ALA 38 16.930 -5.348 4.952
286 2HB ALA 38 1HB ALA 38 16.994 -6.866 4.028
287 3HB ALA 38 2HB ALA 38 18.415 -5.789 4.105
288 H LYS 39 H LYS 39 14.876 -4.572 4.440
289 HA LYS 39 HA LYS 39 12.783 -5.942 3.100
290 1HB LYS 39 1HB LYS 39 12.749 -5.289 5.454
291 2HB LYS 39 2HB LYS 39 12.717 -3.583 5.013
292 1HG LYS 39 1HG LYS 39 10.436 -3.941 4.040
293 2HG LYS 39 2HG LYS 39 10.534 -5.649 4.451
294 1HD LYS 39 1HD LYS 39 9.197 -4.488 6.115
295 2HD LYS 39 2HD LYS 39 10.701 -5.052 6.847
296 1HE LYS 39 1HE LYS 39 11.488 -2.550 6.135
297 2HE LYS 39 2HE LYS 39 9.754 -2.240 6.253
298 1HZ LYS 39 1HZ LYS 39 11.451 -3.412 8.372
299 2HZ LYS 39 2HZ LYS 39 10.967 -1.842 8.339
300 3HZ LYS 39 3HZ LYS 39 9.867 -3.071 8.533
301 H ARG 40 H ARG 40 14.158 -2.766 2.455
302 HA ARG 40 HA ARG 40 11.917 -1.857 0.876
303 1HB ARG 40 1HB ARG 40 13.866 -0.468 1.818
304 2HB ARG 40 2HB ARG 40 14.803 -1.007 0.411
305 1HG ARG 40 1HG ARG 40 13.361 0.122 -1.092
306 2HG ARG 40 2HG ARG 40 12.045 0.171 0.078
307 1HD ARG 40 1HD ARG 40 12.893 2.381 -0.186
308 2HD ARG 40 2HD ARG 40 13.233 1.833 1.439
309 HE ARG 40 HE ARG 40 15.107 2.175 -0.823
310 1HH1 ARG 40 2HH2 ARG 40 14.807 1.671 2.746
311 2HH1 ARG 40 1HH2 ARG 40 16.516 1.928 2.989
312 1HH2 ARG 40 2HH1 ARG 40 17.244 2.214 -0.460
313 2HH2 ARG 40 1HH1 ARG 40 17.960 2.343 1.121
314 H GLU 41 H GLU 41 14.898 -3.664 0.048
315 HA GLU 41 HA GLU 41 14.251 -3.937 -2.708
316 1HB GLU 41 1HB GLU 41 16.490 -4.043 -1.606
317 2HB GLU 41 2HB GLU 41 16.084 -5.619 -0.938
318 1HG GLU 41 1HG GLU 41 15.736 -5.352 -3.901
319 2HG GLU 41 2HG GLU 41 17.378 -5.087 -3.331
320 H GLU 42 H GLU 42 13.410 -5.858 0.198
321 HA GLU 42 HA GLU 42 12.225 -8.106 -1.088
322 1HB GLU 42 1HB GLU 42 12.483 -8.094 1.308
323 2HB GLU 42 2HB GLU 42 11.558 -6.611 1.461
324 1HG GLU 42 1HG GLU 42 9.516 -7.832 0.614
325 2HG GLU 42 2HG GLU 42 10.451 -9.323 0.760
326 H MET 43 H MET 43 10.797 -4.897 -0.262
327 HA MET 43 HA MET 43 8.203 -5.447 -1.155
328 1HB MET 43 1HB MET 43 8.922 -3.421 0.123
329 2HB MET 43 2HB MET 43 9.638 -2.771 -1.344
330 1HG MET 43 1HG MET 43 7.006 -3.460 -2.124
331 2HG MET 43 2HG MET 43 6.825 -2.859 -0.504
332 1HE MET 43 3HE MET 43 8.031 -2.110 -4.171
333 2HE MET 43 1HE MET 43 8.489 -0.399 -4.095
334 3HE MET 43 2HE MET 43 9.500 -1.614 -3.299
335 H ILE 44 H ILE 44 11.004 -4.320 -3.046
336 HA ILE 44 HA ILE 44 9.724 -3.718 -5.523
337 HB ILE 44 HB ILE 44 12.521 -4.702 -4.841
338 1HG1 ILE 44 1HG1 ILE 44 11.350 -1.934 -5.345
339 2HG1 ILE 44 2HG1 ILE 44 11.868 -2.557 -3.789
340 1HG2 ILE 44 3HG2 ILE 44 11.847 -5.013 -7.315
341 2HG2 ILE 44 1HG2 ILE 44 11.864 -3.239 -7.388
342 3HG2 ILE 44 2HG2 ILE 44 13.324 -4.120 -6.944
343 1HD1 ILE 44 1HD1 ILE 44 14.219 -2.725 -4.680
344 2HD1 ILE 44 2HD1 ILE 44 13.654 -1.861 -6.130
345 3HD1 ILE 44 3HD1 ILE 44 13.564 -1.079 -4.547
346 H LYS 45 H LYS 45 11.221 -6.870 -4.460
347 HA LYS 45 HA LYS 45 10.202 -8.261 -6.762
348 1HB LYS 45 1HB LYS 45 12.114 -8.992 -5.277
349 2HB LYS 45 2HB LYS 45 10.927 -9.433 -4.048
350 1HG LYS 45 1HG LYS 45 9.896 -11.046 -5.726
351 2HG LYS 45 2HG LYS 45 11.203 -10.614 -6.857
352 1HD LYS 45 1HD LYS 45 12.843 -11.283 -5.075
353 2HD LYS 45 2HD LYS 45 11.491 -11.840 -4.085
354 1HE LYS 45 1HE LYS 45 10.910 -13.477 -5.899
355 2HE LYS 45 2HE LYS 45 12.340 -12.934 -6.804
356 1HZ LYS 45 3HZ LYS 45 13.673 -13.618 -4.845
357 2HZ LYS 45 1HZ LYS 45 12.315 -14.214 -4.137
358 3HZ LYS 45 2HZ LYS 45 12.867 -14.893 -5.525
359 H ARG 46 H ARG 46 8.958 -7.931 -3.394
360 HA ARG 46 HA ARG 46 6.785 -9.703 -3.686
361 1HB ARG 46 1HB ARG 46 7.559 -7.589 -1.757
362 2HB ARG 46 2HB ARG 46 5.820 -7.850 -1.866
363 1HG ARG 46 1HG ARG 46 6.002 -10.175 -1.422
364 2HG ARG 46 2HG ARG 46 7.772 -10.147 -1.564
365 1HD ARG 46 1HD ARG 46 8.037 -9.627 0.584
366 2HD ARG 46 2HD ARG 46 6.943 -8.239 0.455
367 HE ARG 46 HE ARG 46 5.672 -10.885 0.631
368 1HH1 ARG 46 2HH2 ARG 46 7.068 -8.282 2.619
369 2HH1 ARG 46 1HH2 ARG 46 5.929 -8.449 3.897
370 1HH2 ARG 46 2HH1 ARG 46 4.151 -11.130 2.389
371 2HH2 ARG 46 1HH1 ARG 46 4.262 -10.085 3.762
372 H SER 47 H SER 47 7.009 -6.305 -4.661
373 HA SER 47 HA SER 47 4.170 -6.313 -5.475
374 1HB SER 47 1HB SER 47 4.619 -3.933 -6.005
375 2HB SER 47 2HB SER 47 4.966 -4.348 -4.321
376 HG SER 47 HG SER 47 7.172 -4.380 -4.827
377 H GLY 48 H GLY 48 7.357 -6.701 -6.971
378 1HA GLY 48 1HA GLY 48 7.949 -7.083 -9.155
379 2HA GLY 48 2HA GLY 48 6.240 -7.276 -9.603
380 H ARG 49 H ARG 49 7.687 -4.526 -7.861
381 HA ARG 49 HA ARG 49 7.354 -2.693 -10.130
382 1HB ARG 49 1HB ARG 49 5.784 -2.631 -7.563
383 2HB ARG 49 2HB ARG 49 6.363 -1.083 -8.160
384 1HG ARG 49 1HG ARG 49 5.155 -1.128 -10.082
385 2HG ARG 49 2HG ARG 49 5.035 -2.910 -10.141
386 1HD ARG 49 1HD ARG 49 3.615 -2.750 -8.036
387 2HD ARG 49 2HD ARG 49 3.477 -1.026 -8.358
388 HE ARG 49 HE ARG 49 2.478 -3.269 -10.058
389 1HH1 ARG 49 2HH2 ARG 49 2.508 0.280 -9.473
390 2HH1 ARG 49 1HH2 ARG 49 1.155 0.497 -10.552
391 1HH2 ARG 49 2HH1 ARG 49 0.526 -2.866 -11.250
392 2HH2 ARG 49 1HH1 ARG 49 -0.192 -1.303 -11.088
393 H THR 50 H THR 50 8.210 -0.359 -8.950
394 HA THR 50 HA THR 50 10.939 -1.278 -8.133
395 HB THR 50 HB THR 50 9.817 0.737 -10.035
396 HG1 THR 50 HG1 THR 50 10.404 -1.179 -10.915
397 1HG2 THR 50 1HG2 THR 50 12.617 0.690 -8.854
398 2HG2 THR 50 2HG2 THR 50 12.207 1.563 -10.341
399 3HG2 THR 50 3HG2 THR 50 11.468 2.043 -8.817
400 H THR 51 H THR 51 8.310 1.168 -7.496
401 HA THR 51 HA THR 51 9.802 1.841 -4.997
402 HB THR 51 HB THR 51 9.097 4.294 -5.605
403 HG1 THR 51 HG1 THR 51 9.862 4.042 -8.102
404 1HG2 THR 51 2HG2 THR 51 11.415 3.512 -5.224
405 2HG2 THR 51 3HG2 THR 51 11.535 3.025 -6.899
406 3HG2 THR 51 1HG2 THR 51 11.312 4.740 -6.496
407 H VAL 52 H VAL 52 8.484 3.429 -3.609
408 HA VAL 52 HA VAL 52 6.066 1.928 -3.027
409 HB VAL 52 HB VAL 52 6.259 2.740 -0.906
410 1HG1 VAL 52 3HG1 VAL 52 8.323 1.506 -1.531
411 2HG1 VAL 52 1HG1 VAL 52 9.168 3.054 -1.629
412 3HG1 VAL 52 2HG1 VAL 52 8.442 2.561 -0.103
413 1HG2 VAL 52 1HG2 VAL 52 7.738 5.196 -1.868
414 2HG2 VAL 52 2HG2 VAL 52 6.104 5.119 -1.164
415 3HG2 VAL 52 3HG2 VAL 52 7.514 4.758 -0.164
416 HA PRO 53 HA PRO 53 4.255 2.806 -1.226
417 1HB PRO 53 1HB PRO 53 1.582 3.011 -1.306
418 2HB PRO 53 2HB PRO 53 2.592 4.377 -0.746
419 1HG PRO 53 1HG PRO 53 1.375 3.977 -3.482
420 2HG PRO 53 2HG PRO 53 1.375 5.460 -2.466
421 1HD PRO 53 1HD PRO 53 3.170 5.006 -4.478
422 2HD PRO 53 2HD PRO 53 3.565 5.982 -3.031
423 H GLN 54 H GLN 54 3.291 0.665 -1.145
424 HA GLN 54 HA GLN 54 2.082 -0.430 -3.591
425 1HB GLN 54 1HB GLN 54 4.383 -1.730 -2.040
426 2HB GLN 54 2HB GLN 54 3.391 -2.550 -3.241
427 1HG GLN 54 1HG GLN 54 5.245 -0.185 -3.768
428 2HG GLN 54 2HG GLN 54 5.569 -1.866 -4.161
429 1HE2 GLN 54 2HE2 GLN 54 4.057 0.230 -7.076
430 2HE2 GLN 54 1HE2 GLN 54 5.317 0.586 -5.919
431 H ILE 55 H ILE 55 0.181 -1.714 -2.875
432 HA ILE 55 HA ILE 55 -0.059 -1.872 0.057
433 HB ILE 55 HB ILE 55 -2.133 -1.144 -2.060
434 1HG1 ILE 55 1HG1 ILE 55 -2.091 0.949 -0.283
435 2HG1 ILE 55 2HG1 ILE 55 -0.418 0.468 -0.183
436 1HG2 ILE 55 3HG2 ILE 55 -3.113 -2.462 -0.184
437 2HG2 ILE 55 1HG2 ILE 55 -2.438 -1.299 0.973
438 3HG2 ILE 55 2HG2 ILE 55 -3.679 -0.801 -0.184
439 1HD1 ILE 55 1HD1 ILE 55 -1.890 1.236 -2.740
440 2HD1 ILE 55 2HD1 ILE 55 -0.790 2.272 -1.821
441 3HD1 ILE 55 3HD1 ILE 55 -0.169 0.833 -2.642
442 H PHE 56 H PHE 56 -1.119 -3.753 0.766
443 HA PHE 56 HA PHE 56 -1.638 -5.883 -1.182
444 1HB PHE 56 1HB PHE 56 0.094 -6.248 1.298
445 2HB PHE 56 2HB PHE 56 -0.411 -7.498 0.198
446 HD1 PHE 56 HD1 PHE 56 1.628 -4.293 0.275
447 HD2 PHE 56 HD2 PHE 56 1.075 -8.199 -1.455
448 HE1 PHE 56 HE1 PHE 56 3.695 -3.993 -1.050
449 HE2 PHE 56 HE2 PHE 56 3.188 -7.939 -2.702
450 HZ PHE 56 HZ PHE 56 4.482 -5.839 -2.575
451 H ILE 57 H ILE 57 -3.547 -7.018 -0.464
452 HA ILE 57 HA ILE 57 -4.390 -6.542 2.342
453 HB ILE 57 HB ILE 57 -6.283 -6.204 -0.012
454 1HG1 ILE 57 1HG1 ILE 57 -5.167 -4.110 1.921
455 2HG1 ILE 57 2HG1 ILE 57 -4.741 -4.249 0.225
456 1HG2 ILE 57 1HG2 ILE 57 -6.641 -5.969 3.025
457 2HG2 ILE 57 2HG2 ILE 57 -7.888 -5.563 1.831
458 3HG2 ILE 57 3HG2 ILE 57 -7.331 -7.217 1.980
459 1HD1 ILE 57 2HD1 ILE 57 -7.125 -3.805 -0.400
460 2HD1 ILE 57 3HD1 ILE 57 -7.444 -3.442 1.317
461 3HD1 ILE 57 1HD1 ILE 57 -6.283 -2.467 0.410
462 H ASP 58 H ASP 58 -4.925 -8.409 3.286
463 HA ASP 58 HA ASP 58 -4.903 -10.660 3.588
464 1HB ASP 58 1HB ASP 58 -7.100 -10.175 1.607
465 2HB ASP 58 2HB ASP 58 -6.784 -11.800 2.229
466 H ALA 59 H ALA 59 -2.974 -9.688 1.723
467 HA ALA 59 HA ALA 59 -0.994 -10.681 1.099
468 1HB ALA 59 3HB ALA 59 -1.740 -13.011 1.616
469 2HB ALA 59 1HB ALA 59 -2.463 -13.081 -0.015
470 3HB ALA 59 2HB ALA 59 -0.720 -12.860 0.173
471 H GLN 60 H GLN 60 -3.851 -10.063 -0.711
472 HA GLN 60 HA GLN 60 -2.704 -10.348 -3.357
473 1HB GLN 60 1HB GLN 60 -5.277 -9.061 -2.350
474 2HB GLN 60 2HB GLN 60 -4.771 -9.020 -4.034
475 1HG GLN 60 1HG GLN 60 -6.347 -10.848 -3.597
476 2HG GLN 60 2HG GLN 60 -4.801 -11.421 -4.223
477 1HE2 GLN 60 2HE2 GLN 60 -5.632 -12.151 -0.225
478 2HE2 GLN 60 1HE2 GLN 60 -6.404 -10.787 -1.006
479 H HIS 61 H HIS 61 -1.070 -9.129 -3.844
480 HA HIS 61 HA HIS 61 -0.597 -6.409 -3.032
481 1HB HIS 61 1HB HIS 61 1.153 -7.891 -3.964
482 2HB HIS 61 2HB HIS 61 0.250 -8.039 -5.462
483 HD1 HIS 61 HD1 HIS 61 1.543 -6.829 -7.192
484 HD2 HIS 61 HD2 HIS 61 1.262 -4.767 -3.509
485 HE1 HIS 61 HE1 HIS 61 2.473 -4.458 -7.588
486 HE2 HIS 61 HE2 HIS 61 2.262 -3.165 -5.397
487 H ILE 62 H ILE 62 -1.634 -4.598 -3.731
488 HA ILE 62 HA ILE 62 -3.811 -4.826 -5.670
489 HB ILE 62 HB ILE 62 -2.802 -2.287 -4.327
490 1HG1 ILE 62 1HG1 ILE 62 -3.011 -3.724 -2.487
491 2HG1 ILE 62 2HG1 ILE 62 -4.377 -2.660 -2.474
492 1HG2 ILE 62 2HG2 ILE 62 -5.515 -3.176 -5.361
493 2HG2 ILE 62 3HG2 ILE 62 -5.220 -1.663 -4.493
494 3HG2 ILE 62 1HG2 ILE 62 -4.466 -1.939 -6.071
495 1HD1 ILE 62 2HD1 ILE 62 -4.598 -5.509 -3.531
496 2HD1 ILE 62 3HD1 ILE 62 -5.035 -4.994 -1.901
497 3HD1 ILE 62 1HD1 ILE 62 -5.914 -4.347 -3.293
498 H GLY 63 H GLY 63 -0.806 -2.904 -5.321
499 1HA GLY 63 1HA GLY 63 0.510 -2.747 -7.578
500 2HA GLY 63 2HA GLY 63 -1.004 -1.978 -8.089
501 H GLY 64 H GLY 64 -0.128 0.050 -8.268
502 1HA GLY 64 1HA GLY 64 1.285 1.404 -6.101
503 2HA GLY 64 2HA GLY 64 0.841 2.054 -7.686
504 H TYR 65 H TYR 65 0.062 3.962 -6.784
505 HA TYR 65 HA TYR 65 -1.919 3.853 -4.619
506 1HB TYR 65 1HB TYR 65 -0.093 5.515 -4.460
507 2HB TYR 65 2HB TYR 65 -0.524 6.162 -6.043
508 HD1 TYR 65 HD2 TYR 65 -2.846 5.140 -3.253
509 HD2 TYR 65 HD1 TYR 65 -1.168 8.417 -5.531
510 HE1 TYR 65 HE2 TYR 65 -4.482 6.606 -2.325
511 HE2 TYR 65 HE1 TYR 65 -2.848 9.927 -4.508
512 HH TYR 65 HH TYR 65 -5.074 9.847 -3.534
513 H ASP 66 H ASP 66 -1.776 5.022 -8.031
514 HA ASP 66 HA ASP 66 -4.546 5.934 -8.046
515 1HB ASP 66 1HB ASP 66 -2.764 4.963 -10.324
516 2HB ASP 66 2HB ASP 66 -4.362 5.684 -10.483
517 H ASP 67 H ASP 67 -2.815 2.954 -8.405
518 HA ASP 67 HA ASP 67 -4.872 1.310 -9.494
519 1HB ASP 67 1HB ASP 67 -2.598 0.500 -7.654
520 2HB ASP 67 2HB ASP 67 -3.646 -0.595 -8.526
521 H LEU 68 H LEU 68 -3.790 1.804 -6.052
522 HA LEU 68 HA LEU 68 -5.956 0.358 -4.946
523 1HB LEU 68 1HB LEU 68 -3.916 0.998 -3.668
524 2HB LEU 68 2HB LEU 68 -4.440 2.689 -3.696
525 HG LEU 68 HG LEU 68 -6.588 1.952 -2.507
526 1HD1 LEU 68 2HD1 LEU 68 -4.993 -0.628 -2.340
527 2HD1 LEU 68 3HD1 LEU 68 -6.307 -0.263 -1.231
528 3HD1 LEU 68 1HD1 LEU 68 -6.654 -0.426 -2.959
529 1HD2 LEU 68 2HD2 LEU 68 -4.674 2.954 -1.269
530 2HD2 LEU 68 3HD2 LEU 68 -5.678 1.839 -0.328
531 3HD2 LEU 68 1HD2 LEU 68 -4.102 1.308 -0.941
532 H TYR 69 H TYR 69 -5.683 3.830 -5.555
533 HA TYR 69 HA TYR 69 -8.139 4.772 -4.482
534 1HB TYR 69 1HB TYR 69 -6.155 6.087 -5.379
535 2HB TYR 69 2HB TYR 69 -6.638 5.678 -7.004
536 HD1 TYR 69 HD1 TYR 69 -8.905 6.544 -7.904
537 HD2 TYR 69 HD2 TYR 69 -7.038 7.991 -4.288
538 HE1 TYR 69 HE1 TYR 69 -10.298 8.587 -7.999
539 HE2 TYR 69 HE2 TYR 69 -8.428 10.034 -4.383
540 HH TYR 69 HH TYR 69 -10.704 10.731 -7.035
541 H ALA 70 H ALA 70 -7.445 3.499 -7.791
542 HA ALA 70 HA ALA 70 -10.230 3.721 -8.643
543 1HB ALA 70 2HB ALA 70 -8.424 3.653 -10.294
544 2HB ALA 70 3HB ALA 70 -7.966 2.011 -9.753
545 3HB ALA 70 1HB ALA 70 -9.538 2.289 -10.529
546 H LEU 71 H LEU 71 -8.226 1.122 -7.206
547 HA LEU 71 HA LEU 71 -10.177 -0.922 -7.429
548 1HB LEU 71 1HB LEU 71 -7.589 -0.957 -6.886
549 2HB LEU 71 2HB LEU 71 -8.134 -0.948 -5.229
550 HG LEU 71 HG LEU 71 -7.582 -3.149 -6.156
551 1HD1 LEU 71 3HD1 LEU 71 -9.187 -3.098 -4.385
552 2HD1 LEU 71 1HD1 LEU 71 -10.489 -3.056 -5.615
553 3HD1 LEU 71 2HD1 LEU 71 -9.427 -4.473 -5.479
554 1HD2 LEU 71 2HD2 LEU 71 -8.304 -2.670 -8.525
555 2HD2 LEU 71 3HD2 LEU 71 -8.731 -4.269 -7.894
556 3HD2 LEU 71 1HD2 LEU 71 -9.969 -3.007 -8.020
557 H ASP 72 H ASP 72 -9.654 1.628 -4.966
558 HA ASP 72 HA ASP 72 -11.730 0.821 -3.173
559 1HB ASP 72 1HB ASP 72 -10.124 2.439 -2.453
560 2HB ASP 72 2HB ASP 72 -10.295 3.393 -3.868
561 H ALA 73 H ALA 73 -11.675 3.269 -5.816
562 HA ALA 73 HA ALA 73 -14.344 3.955 -5.486
563 1HB ALA 73 3HB ALA 73 -12.620 5.352 -6.585
564 2HB ALA 73 1HB ALA 73 -12.644 4.264 -7.993
565 3HB ALA 73 2HB ALA 73 -14.088 5.218 -7.572
566 H ARG 74 H ARG 74 -13.073 1.381 -7.446
567 HA ARG 74 HA ARG 74 -15.604 0.742 -8.747
568 1HB ARG 74 1HB ARG 74 -14.412 -1.039 -9.720
569 2HB ARG 74 2HB ARG 74 -13.286 0.298 -9.629
570 1HG ARG 74 1HG ARG 74 -11.837 -1.081 -8.624
571 2HG ARG 74 2HG ARG 74 -12.851 -1.044 -7.214
572 1HD ARG 74 1HD ARG 74 -12.532 -3.326 -7.635
573 2HD ARG 74 2HD ARG 74 -14.161 -2.989 -8.246
574 HE ARG 74 HE ARG 74 -11.897 -2.791 -10.135
575 1HH1 ARG 74 2HH2 ARG 74 -14.436 -4.910 -8.839
576 2HH1 ARG 74 1HH2 ARG 74 -14.387 -6.031 -10.158
577 1HH2 ARG 74 2HH1 ARG 74 -11.837 -4.226 -11.916
578 2HH2 ARG 74 1HH1 ARG 74 -12.684 -5.737 -11.832
579 H GLY 75 H GLY 75 -14.342 0.212 -5.605
580 1HA GLY 75 1HA GLY 75 -15.268 -0.811 -3.792
581 2HA GLY 75 2HA GLY 75 -16.584 -1.419 -4.804
582 H GLY 76 H GLY 76 -12.942 -1.993 -5.093
583 1HA GLY 76 1HA GLY 76 -13.508 -4.881 -4.552
584 2HA GLY 76 2HA GLY 76 -12.226 -4.294 -5.587
585 H LEU 77 H LEU 77 -11.625 -1.987 -3.609
586 HA LEU 77 HA LEU 77 -9.822 -3.410 -1.842
587 1HB LEU 77 1HB LEU 77 -9.453 -1.074 -2.669
588 2HB LEU 77 2HB LEU 77 -10.824 -0.511 -1.743
589 HG LEU 77 HG LEU 77 -8.151 -1.403 -0.710
590 1HD1 LEU 77 2HD1 LEU 77 -8.544 0.925 -1.604
591 2HD1 LEU 77 3HD1 LEU 77 -9.785 1.158 -0.360
592 3HD1 LEU 77 1HD1 LEU 77 -8.091 0.909 0.111
593 1HD2 LEU 77 2HD2 LEU 77 -10.600 -0.825 1.010
594 2HD2 LEU 77 3HD2 LEU 77 -9.529 -2.251 1.065
595 3HD2 LEU 77 1HD2 LEU 77 -8.928 -0.701 1.594
596 H ASP 78 H ASP 78 -12.898 -1.696 -1.517
597 HA ASP 78 HA ASP 78 -13.196 -1.889 1.232
598 1HB ASP 78 1HB ASP 78 -14.462 -0.500 -0.480
599 2HB ASP 78 2HB ASP 78 -15.507 -1.886 -0.753
600 HA PRO 79 HA PRO 79 -15.297 -6.134 1.002
601 1HB PRO 79 1HB PRO 79 -15.206 -7.705 -1.218
602 2HB PRO 79 2HB PRO 79 -16.512 -6.540 -0.862
603 1HG PRO 79 1HG PRO 79 -14.072 -6.122 -2.612
604 2HG PRO 79 2HG PRO 79 -15.787 -5.783 -3.013
605 1HD PRO 79 1HD PRO 79 -14.167 -3.804 -2.126
606 2HD PRO 79 2HD PRO 79 -15.859 -3.909 -1.573
607 H LEU 80 H LEU 80 -12.191 -5.556 -0.715
608 HA LEU 80 HA LEU 80 -11.076 -8.160 -0.079
609 1HB LEU 80 1HB LEU 80 -10.008 -5.569 -1.115
610 2HB LEU 80 2HB LEU 80 -8.888 -6.474 -0.143
611 HG LEU 80 HG LEU 80 -10.343 -7.744 -2.477
612 1HD1 LEU 80 2HD1 LEU 80 -7.566 -6.463 -2.393
613 2HD1 LEU 80 3HD1 LEU 80 -8.234 -7.397 -3.749
614 3HD1 LEU 80 1HD1 LEU 80 -8.978 -5.858 -3.290
615 1HD2 LEU 80 1HD2 LEU 80 -7.825 -8.524 -0.908
616 2HD2 LEU 80 2HD2 LEU 80 -9.389 -9.351 -0.824
617 3HD2 LEU 80 3HD2 LEU 80 -8.458 -9.386 -2.325
618 H LEU 81 H LEU 81 -11.497 -5.137 1.678
619 HA LEU 81 HA LEU 81 -9.696 -5.508 3.738
620 1HB LEU 81 1HB LEU 81 -11.221 -3.544 3.318
621 2HB LEU 81 2HB LEU 81 -12.534 -4.426 4.080
622 HG LEU 81 HG LEU 81 -11.333 -2.668 5.427
623 1HD1 LEU 81 3HD1 LEU 81 -12.717 -4.396 6.526
624 2HD1 LEU 81 1HD1 LEU 81 -11.261 -5.367 6.821
625 3HD1 LEU 81 2HD1 LEU 81 -11.423 -3.763 7.547
626 1HD2 LEU 81 2HD2 LEU 81 -9.043 -3.300 4.707
627 2HD2 LEU 81 3HD2 LEU 81 -9.202 -3.146 6.472
628 3HD2 LEU 81 1HD2 LEU 81 -9.136 -4.750 5.739
629 H LYS 82 H LYS 82 -12.840 -7.009 3.341
630 HA LYS 82 HA LYS 82 -13.907 -8.740 4.422
631 1HB LYS 82 1HB LYS 82 -12.182 -9.374 2.612
632 2HB LYS 82 2HB LYS 82 -11.176 -9.987 3.882
633 1HG LYS 82 1HG LYS 82 -14.058 -10.934 3.402
634 2HG LYS 82 2HG LYS 82 -12.671 -11.566 2.521
635 1HD LYS 82 1HD LYS 82 -12.782 -13.150 4.108
636 2HD LYS 82 2HD LYS 82 -11.650 -12.033 4.877
637 1HE LYS 82 1HE LYS 82 -13.794 -11.018 5.996
638 2HE LYS 82 2HE LYS 82 -14.599 -12.498 5.450
639 1HZ LYS 82 1HZ LYS 82 -12.790 -13.710 6.641
640 2HZ LYS 82 2HZ LYS 82 -12.286 -12.271 7.268
641 3HZ LYS 82 3HZ LYS 82 -13.784 -12.857 7.621
642 1HB2 GTT 83 1HB2 GTT 83 10.184 7.495 -1.949
643 2HB2 GTT 83 2HB2 GTT 83 11.341 8.442 -2.867
644 HA2 GTT 83 HA2 GTT 83 11.194 7.147 -4.719
645 HN2 GTT 83 HN2 GTT 83 8.393 6.273 -4.222
646 1HG1 GTT 83 1HG1 GTT 83 6.779 7.323 -6.177
647 2HG1 GTT 83 2HG1 GTT 83 7.401 5.702 -6.339
648 1HB1 GTT 83 1HB1 GTT 83 8.574 6.612 -8.531
649 2HB1 GTT 83 2HB1 GTT 83 7.467 7.970 -8.337
650 HA1 GTT 83 HA1 GTT 83 5.652 5.984 -8.124
651 1HN1 GTT 83 1HN1 GTT 83 7.576 4.947 -10.033
652 2HN1 GTT 83 2HN1 GTT 83 7.473 4.279 -8.514
653 3HN1 GTT 83 3HN1 GTT 83 6.184 4.253 -9.594
654 HN3 GTT 83 HN3 GTT 83 12.722 5.980 -3.078
655 1HA3 GTT 83 1HA3 GTT 83 11.893 3.818 -1.474
656 2HA3 GTT 83 2HA3 GTT 83 12.133 3.203 -3.113
No H/Q in entry = 656
Start of MODEL 12
1 1H ALA 1 3H ALA 1 -7.391 -7.251 8.982
2 2H ALA 1 1H ALA 1 -8.697 -8.147 8.515
3 3H ALA 1 2H ALA 1 -7.162 -8.798 8.510
4 HA ALA 1 HA ALA 1 -7.727 -8.335 6.296
5 1HB ALA 1 3HB ALA 1 -9.459 -6.664 6.874
6 2HB ALA 1 1HB ALA 1 -8.177 -5.476 7.202
7 3HB ALA 1 2HB ALA 1 -8.391 -6.162 5.565
8 H ASN 2 H ASN 2 -5.779 -8.372 5.232
9 HA ASN 2 HA ASN 2 -3.438 -7.393 6.767
10 1HB ASN 2 1HB ASN 2 -3.834 -9.800 6.198
11 2HB ASN 2 2HB ASN 2 -3.803 -9.401 4.505
12 1HD2 ASN 2 2HD2 ASN 2 -0.121 -8.877 4.562
13 2HD2 ASN 2 1HD2 ASN 2 -1.544 -8.005 4.012
14 H VAL 3 H VAL 3 -4.495 -5.321 5.900
15 HA VAL 3 HA VAL 3 -4.152 -4.595 3.098
16 HB VAL 3 HB VAL 3 -5.333 -3.215 5.551
17 1HG1 VAL 3 3HG1 VAL 3 -5.416 -2.320 2.639
18 2HG1 VAL 3 1HG1 VAL 3 -6.582 -1.772 3.864
19 3HG1 VAL 3 2HG1 VAL 3 -4.889 -1.400 4.073
20 1HG2 VAL 3 3HG2 VAL 3 -6.542 -5.294 4.656
21 2HG2 VAL 3 1HG2 VAL 3 -7.484 -3.811 4.767
22 3HG2 VAL 3 2HG2 VAL 3 -6.882 -4.358 3.199
23 H GLU 4 H GLU 4 -1.746 -4.770 3.107
24 HA GLU 4 HA GLU 4 -0.379 -3.037 5.086
25 1HB GLU 4 1HB GLU 4 0.880 -5.162 3.325
26 2HB GLU 4 2HB GLU 4 1.626 -4.241 4.627
27 1HG GLU 4 1HG GLU 4 0.096 -5.254 6.273
28 2HG GLU 4 2HG GLU 4 -0.691 -6.173 5.003
29 H ILE 5 H ILE 5 1.013 -1.372 4.409
30 HA ILE 5 HA ILE 5 1.160 -0.784 1.507
31 HB ILE 5 HB ILE 5 -0.655 0.518 2.155
32 1HG1 ILE 5 1HG1 ILE 5 1.727 2.388 2.203
33 2HG1 ILE 5 2HG1 ILE 5 1.154 1.578 0.773
34 1HG2 ILE 5 3HG2 ILE 5 -0.368 0.482 4.647
35 2HG2 ILE 5 1HG2 ILE 5 0.880 1.739 4.486
36 3HG2 ILE 5 2HG2 ILE 5 -0.810 2.054 4.012
37 1HD1 ILE 5 3HD1 ILE 5 -1.089 2.726 1.106
38 2HD1 ILE 5 1HD1 ILE 5 -0.336 3.663 2.417
39 3HD1 ILE 5 2HD1 ILE 5 0.275 3.811 0.762
40 H TYR 6 H TYR 6 3.176 -0.796 0.972
41 HA TYR 6 HA TYR 6 5.344 -0.299 2.847
42 1HB TYR 6 1HB TYR 6 5.160 -0.947 -0.083
43 2HB TYR 6 2HB TYR 6 6.646 -0.272 0.568
44 HD1 TYR 6 HD1 TYR 6 7.699 -1.290 2.607
45 HD2 TYR 6 HD2 TYR 6 4.683 -3.324 0.317
46 HE1 TYR 6 HE1 TYR 6 8.472 -3.428 3.548
47 HE2 TYR 6 HE2 TYR 6 5.418 -5.486 1.259
48 HH TYR 6 HH TYR 6 6.924 -6.582 2.663
49 H THR 7 H THR 7 6.463 1.524 3.180
50 HA THR 7 HA THR 7 5.898 3.938 1.585
51 HB THR 7 HB THR 7 5.336 5.133 3.676
52 HG1 THR 7 HG1 THR 7 5.552 2.537 4.762
53 1HG2 THR 7 3HG2 THR 7 3.443 4.108 2.304
54 2HG2 THR 7 1HG2 THR 7 3.418 2.806 3.512
55 3HG2 THR 7 2HG2 THR 7 3.089 4.466 4.007
56 H LYS 8 H LYS 8 7.366 5.719 2.250
57 HA LYS 8 HA LYS 8 9.506 5.001 4.105
58 1HB LYS 8 1HB LYS 8 11.149 6.215 2.772
59 2HB LYS 8 2HB LYS 8 10.584 4.796 1.899
60 1HG LYS 8 1HG LYS 8 9.446 6.109 0.296
61 2HG LYS 8 2HG LYS 8 9.319 7.503 1.356
62 1HD LYS 8 1HD LYS 8 10.881 7.988 -0.380
63 2HD LYS 8 2HD LYS 8 11.705 7.937 1.182
64 1HE LYS 8 1HE LYS 8 12.486 5.585 0.569
65 2HE LYS 8 2HE LYS 8 11.768 5.847 -1.040
66 1HZ LYS 8 3HZ LYS 8 13.197 7.903 -1.094
67 2HZ LYS 8 1HZ LYS 8 13.995 7.312 0.204
68 3HZ LYS 8 2HZ LYS 8 13.996 6.490 -1.245
69 H GLU 9 H GLU 9 10.357 7.107 4.996
70 HA GLU 9 HA GLU 9 8.460 8.925 5.849
71 1HB GLU 9 1HB GLU 9 10.602 8.628 6.918
72 2HB GLU 9 2HB GLU 9 11.469 9.196 5.483
73 1HG GLU 9 1HG GLU 9 10.496 11.469 5.787
74 2HG GLU 9 2HG GLU 9 9.618 10.902 7.201
75 H THR 10 H THR 10 10.981 9.762 3.390
76 HA THR 10 HA THR 10 9.530 12.171 2.667
77 HB THR 10 HB THR 10 11.563 12.534 1.253
78 HG1 THR 10 HG1 THR 10 11.998 10.329 0.929
79 1HG2 THR 10 2HG2 THR 10 11.477 13.246 3.675
80 2HG2 THR 10 3HG2 THR 10 12.264 11.722 4.114
81 3HG2 THR 10 1HG2 THR 10 13.108 12.895 3.088
82 H CYS 11 H CYS 11 7.588 11.174 1.773
83 HA CYS 11 HA CYS 11 7.929 11.008 -1.088
84 1HB CYS 11 1HB CYS 11 8.295 8.649 -0.503
85 2HB CYS 11 2HB CYS 11 6.768 8.608 0.370
86 HA PRO 12 HA PRO 12 4.059 13.079 0.098
87 1HB PRO 12 1HB PRO 12 3.394 14.198 -2.238
88 2HB PRO 12 2HB PRO 12 4.664 14.879 -1.171
89 1HG PRO 12 1HG PRO 12 5.055 13.149 -3.630
90 2HG PRO 12 2HG PRO 12 5.934 14.641 -3.164
91 1HD PRO 12 1HD PRO 12 6.959 12.185 -2.637
92 2HD PRO 12 2HD PRO 12 7.122 13.528 -1.465
93 H TYR 13 H TYR 13 4.186 11.433 -3.116
94 HA TYR 13 HA TYR 13 1.544 10.699 -3.448
95 1HB TYR 13 1HB TYR 13 3.568 10.459 -5.001
96 2HB TYR 13 2HB TYR 13 4.103 9.105 -4.047
97 HD1 TYR 13 HD2 TYR 13 1.030 10.238 -5.942
98 HD2 TYR 13 HD1 TYR 13 3.736 7.013 -5.000
99 HE1 TYR 13 HE2 TYR 13 -0.168 8.781 -7.517
100 HE2 TYR 13 HE1 TYR 13 2.518 5.541 -6.596
101 HH TYR 13 HH TYR 13 -0.083 6.656 -8.692
102 H SER 14 H SER 14 3.927 9.190 -1.345
103 HA SER 14 HA SER 14 2.319 6.912 -0.523
104 1HB SER 14 1HB SER 14 4.776 7.067 -0.433
105 2HB SER 14 2HB SER 14 4.664 8.323 0.825
106 HG SER 14 HG SER 14 4.041 6.813 2.256
107 H HIS 15 H HIS 15 2.843 10.298 0.822
108 HA HIS 15 HA HIS 15 1.245 9.482 3.160
109 1HB HIS 15 1HB HIS 15 2.678 12.016 2.415
110 2HB HIS 15 2HB HIS 15 1.452 11.987 3.676
111 HD1 HIS 15 HD1 HIS 15 1.889 10.399 5.861
112 HD2 HIS 15 HD2 HIS 15 5.110 10.928 3.140
113 HE1 HIS 15 HE1 HIS 15 4.053 9.639 7.045
114 HE2 HIS 15 HE2 HIS 15 5.972 10.050 5.466
115 H ARG 16 H ARG 16 0.671 11.130 0.078
116 HA ARG 16 HA ARG 16 -1.997 11.990 0.495
117 1HB ARG 16 1HB ARG 16 -0.211 11.314 -1.778
118 2HB ARG 16 2HB ARG 16 -1.880 10.936 -2.115
119 1HG ARG 16 1HG ARG 16 -2.555 13.234 -1.510
120 2HG ARG 16 2HG ARG 16 -0.854 13.636 -1.168
121 1HD ARG 16 1HD ARG 16 -0.316 13.048 -3.551
122 2HD ARG 16 2HD ARG 16 -2.035 12.757 -3.844
123 HE ARG 16 HE ARG 16 -1.775 15.326 -2.696
124 1HH1 ARG 16 2HH2 ARG 16 -1.110 13.699 -5.789
125 2HH1 ARG 16 1HH2 ARG 16 -0.910 15.186 -6.655
126 1HH2 ARG 16 2HH1 ARG 16 -1.704 17.209 -3.861
127 2HH2 ARG 16 1HH1 ARG 16 -1.350 17.263 -5.566
128 H ALA 17 H ALA 17 -0.770 8.672 -0.231
129 HA ALA 17 HA ALA 17 -3.289 7.492 -0.558
130 1HB ALA 17 3HB ALA 17 -1.034 6.395 -0.976
131 2HB ALA 17 1HB ALA 17 -0.900 6.162 0.784
132 3HB ALA 17 2HB ALA 17 -2.207 5.373 -0.108
133 H LYS 18 H LYS 18 -1.885 8.636 2.396
134 HA LYS 18 HA LYS 18 -3.604 6.979 4.126
135 1HB LYS 18 1HB LYS 18 -1.805 9.371 4.721
136 2HB LYS 18 2HB LYS 18 -2.829 8.579 5.910
137 1HG LYS 18 1HG LYS 18 -0.573 7.777 6.043
138 2HG LYS 18 2HG LYS 18 -1.702 6.476 5.627
139 1HD LYS 18 1HD LYS 18 -0.847 6.276 3.418
140 2HD LYS 18 2HD LYS 18 -0.152 7.896 3.468
141 1HE LYS 18 1HE LYS 18 1.548 6.059 3.598
142 2HE LYS 18 2HE LYS 18 1.614 7.241 4.913
143 1HZ LYS 18 3HZ LYS 18 0.420 5.753 6.314
144 2HZ LYS 18 1HZ LYS 18 0.375 4.566 5.151
145 3HZ LYS 18 2HZ LYS 18 1.807 5.126 5.819
146 H ALA 19 H ALA 19 -3.605 10.397 2.864
147 HA ALA 19 HA ALA 19 -5.917 11.092 4.403
148 1HB ALA 19 3HB ALA 19 -4.462 12.763 3.256
149 2HB ALA 19 1HB ALA 19 -5.016 12.129 1.684
150 3HB ALA 19 2HB ALA 19 -6.163 12.931 2.780
151 H LEU 20 H LEU 20 -5.526 9.131 1.547
152 HA LEU 20 HA LEU 20 -8.416 9.026 0.989
153 1HB LEU 20 1HB LEU 20 -6.649 8.654 -0.758
154 2HB LEU 20 2HB LEU 20 -6.104 7.219 0.090
155 HG LEU 20 HG LEU 20 -8.766 7.584 -1.347
156 1HD1 LEU 20 2HD1 LEU 20 -6.266 5.904 -1.911
157 2HD1 LEU 20 3HD1 LEU 20 -7.767 5.840 -2.845
158 3HD1 LEU 20 1HD1 LEU 20 -6.823 7.332 -2.823
159 1HD2 LEU 20 2HD2 LEU 20 -7.703 5.090 0.063
160 2HD2 LEU 20 3HD2 LEU 20 -9.203 5.977 0.434
161 3HD2 LEU 20 1HD2 LEU 20 -9.047 5.107 -1.085
162 H LEU 21 H LEU 21 -6.097 6.534 2.184
163 HA LEU 21 HA LEU 21 -8.181 4.751 2.858
164 1HB LEU 21 1HB LEU 21 -5.297 5.040 3.846
165 2HB LEU 21 2HB LEU 21 -6.270 3.649 4.262
166 HG LEU 21 HG LEU 21 -5.759 4.417 1.361
167 1HD1 LEU 21 3HD1 LEU 21 -3.597 4.064 2.453
168 2HD1 LEU 21 1HD1 LEU 21 -4.157 2.500 3.098
169 3HD1 LEU 21 2HD1 LEU 21 -3.975 2.733 1.344
170 1HD2 LEU 21 1HD2 LEU 21 -7.638 2.807 1.785
171 2HD2 LEU 21 2HD2 LEU 21 -6.288 2.081 0.902
172 3HD2 LEU 21 3HD2 LEU 21 -6.481 1.729 2.609
173 H SER 22 H SER 22 -6.589 7.202 4.887
174 HA SER 22 HA SER 22 -7.992 6.519 7.297
175 1HB SER 22 1HB SER 22 -5.724 7.784 6.893
176 2HB SER 22 2HB SER 22 -6.753 9.227 6.769
177 HG SER 22 HG SER 22 -7.245 9.028 8.855
178 H SER 23 H SER 23 -8.759 8.766 4.450
179 HA SER 23 HA SER 23 -11.015 9.959 5.785
180 1HB SER 23 1HB SER 23 -10.269 10.910 3.725
181 2HB SER 23 2HB SER 23 -10.385 9.368 2.867
182 HG SER 23 HG SER 23 -12.275 9.875 2.366
183 H LYS 24 H LYS 24 -10.477 6.891 4.070
184 HA LYS 24 HA LYS 24 -13.211 5.955 4.457
185 1HB LYS 24 1HB LYS 24 -10.703 4.572 3.404
186 2HB LYS 24 2HB LYS 24 -12.343 3.906 3.357
187 1HG LYS 24 1HG LYS 24 -13.054 5.944 2.056
188 2HG LYS 24 2HG LYS 24 -11.383 6.472 1.999
189 1HD LYS 24 1HD LYS 24 -10.792 4.350 0.818
190 2HD LYS 24 2HD LYS 24 -12.509 3.944 0.748
191 1HE LYS 24 1HE LYS 24 -11.683 6.698 -0.192
192 2HE LYS 24 2HE LYS 24 -11.251 5.311 -1.213
193 1HZ LYS 24 3HZ LYS 24 -14.016 5.879 -0.348
194 2HZ LYS 24 1HZ LYS 24 -13.387 6.204 -1.838
195 3HZ LYS 24 2HZ LYS 24 -13.460 4.660 -1.345
196 H GLY 25 H GLY 25 -10.775 6.274 6.706
197 1HA GLY 25 1HA GLY 25 -10.531 5.529 8.819
198 2HA GLY 25 2HA GLY 25 -12.203 4.974 8.700
199 H VAL 26 H VAL 26 -9.413 3.639 6.771
200 HA VAL 26 HA VAL 26 -10.199 0.992 7.653
201 HB VAL 26 HB VAL 26 -8.792 0.368 5.739
202 1HG1 VAL 26 1HG1 VAL 26 -11.110 1.403 5.326
203 2HG1 VAL 26 2HG1 VAL 26 -10.235 2.866 4.858
204 3HG1 VAL 26 3HG1 VAL 26 -9.985 1.367 3.951
205 1HG2 VAL 26 1HG2 VAL 26 -7.673 3.075 5.850
206 2HG2 VAL 26 2HG2 VAL 26 -6.883 1.493 5.805
207 3HG2 VAL 26 3HG2 VAL 26 -7.720 2.081 4.363
208 H SER 27 H SER 27 -8.788 -0.537 8.639
209 HA SER 27 HA SER 27 -6.373 0.503 9.995
210 1HB SER 27 1HB SER 27 -7.858 -2.146 10.084
211 2HB SER 27 2HB SER 27 -6.285 -1.875 10.855
212 HG SER 27 HG SER 27 -7.133 -0.287 12.121
213 H PHE 28 H PHE 28 -5.017 0.969 8.290
214 HA PHE 28 HA PHE 28 -4.159 -1.322 6.589
215 1HB PHE 28 1HB PHE 28 -2.817 0.301 5.372
216 2HB PHE 28 2HB PHE 28 -4.498 0.798 5.379
217 HD1 PHE 28 HD2 PHE 28 -1.102 1.496 6.737
218 HD2 PHE 28 HD1 PHE 28 -5.172 2.910 6.473
219 HE1 PHE 28 HE2 PHE 28 -0.405 3.703 7.619
220 HE2 PHE 28 HE1 PHE 28 -4.457 5.109 7.323
221 HZ PHE 28 HZ PHE 28 -2.076 5.516 7.904
222 H GLN 29 H GLN 29 -1.860 -1.826 6.593
223 HA GLN 29 HA GLN 29 -0.530 -1.354 9.174
224 1HB GLN 29 1HB GLN 29 -1.125 -3.864 7.882
225 2HB GLN 29 2HB GLN 29 0.609 -3.573 7.726
226 1HG GLN 29 1HG GLN 29 0.591 -2.960 10.225
227 2HG GLN 29 2HG GLN 29 -1.014 -3.710 10.275
228 1HE2 GLN 29 2HE2 GLN 29 2.358 -6.026 9.904
229 2HE2 GLN 29 1HE2 GLN 29 2.494 -4.271 9.952
230 H GLU 30 H GLU 30 0.609 0.270 8.755
231 HA GLU 30 HA GLU 30 1.994 0.862 6.269
232 1HB GLU 30 1HB GLU 30 1.432 2.385 8.342
233 2HB GLU 30 2HB GLU 30 3.007 1.774 8.930
234 1HG GLU 30 1HG GLU 30 4.228 2.803 7.257
235 2HG GLU 30 2HG GLU 30 2.826 2.945 6.179
236 H LEU 31 H LEU 31 3.985 0.468 5.730
237 HA LEU 31 HA LEU 31 5.756 -1.383 7.267
238 1HB LEU 31 1HB LEU 31 5.044 -1.738 4.359
239 2HB LEU 31 2HB LEU 31 6.292 -2.606 5.244
240 HG LEU 31 HG LEU 31 3.278 -2.758 5.690
241 1HD1 LEU 31 2HD1 LEU 31 5.388 -4.691 4.668
242 2HD1 LEU 31 3HD1 LEU 31 3.680 -5.086 4.900
243 3HD1 LEU 31 1HD1 LEU 31 4.145 -3.860 3.690
244 1HD2 LEU 31 3HD2 LEU 31 5.458 -4.390 7.074
245 2HD2 LEU 31 1HD2 LEU 31 4.443 -3.150 7.857
246 3HD2 LEU 31 2HD2 LEU 31 3.701 -4.615 7.224
247 HA PRO 32 HA PRO 32 8.162 2.308 5.850
248 1HB PRO 32 1HB PRO 32 9.998 1.278 7.965
249 2HB PRO 32 2HB PRO 32 9.369 2.923 7.735
250 1HG PRO 32 1HG PRO 32 8.401 1.338 9.734
251 2HG PRO 32 2HG PRO 32 7.316 2.417 8.808
252 1HD PRO 32 1HD PRO 32 7.774 -0.568 8.423
253 2HD PRO 32 2HD PRO 32 6.233 0.317 8.467
254 H ILE 33 H ILE 33 9.964 2.303 4.506
255 HA ILE 33 HA ILE 33 11.804 -0.045 4.472
256 HB ILE 33 HB ILE 33 12.003 0.503 1.943
257 1HG1 ILE 33 1HG1 ILE 33 9.069 1.076 1.951
258 2HG1 ILE 33 2HG1 ILE 33 10.180 2.394 2.302
259 1HG2 ILE 33 1HG2 ILE 33 9.778 -1.125 3.169
260 2HG2 ILE 33 2HG2 ILE 33 10.253 -1.241 1.454
261 3HG2 ILE 33 3HG2 ILE 33 11.402 -1.653 2.742
262 1HD1 ILE 33 3HD1 ILE 33 11.457 1.864 0.215
263 2HD1 ILE 33 1HD1 ILE 33 10.111 0.762 -0.215
264 3HD1 ILE 33 2HD1 ILE 33 9.843 2.509 -0.007
265 H ASP 34 H ASP 34 11.648 3.325 4.997
266 HA ASP 34 HA ASP 34 14.358 3.753 3.872
267 1HB ASP 34 1HB ASP 34 14.303 5.917 4.998
268 2HB ASP 34 2HB ASP 34 12.963 5.730 3.881
269 H GLY 35 H GLY 35 16.184 3.953 5.327
270 1HA GLY 35 1HA GLY 35 17.429 3.400 7.145
271 2HA GLY 35 2HA GLY 35 15.980 2.989 8.062
272 H ASN 36 H ASN 36 15.783 1.358 5.065
273 HA ASN 36 HA ASN 36 17.106 -1.106 6.043
274 1HB ASN 36 1HB ASN 36 15.139 -1.365 7.226
275 2HB ASN 36 2HB ASN 36 14.191 -0.410 6.099
276 1HD2 ASN 36 2HD2 ASN 36 13.067 -3.033 4.100
277 2HD2 ASN 36 1HD2 ASN 36 13.727 -1.393 3.976
278 H ALA 37 H ALA 37 18.186 -1.835 4.233
279 HA ALA 37 HA ALA 37 16.965 -1.499 1.548
280 1HB ALA 37 2HB ALA 37 19.452 -1.375 1.861
281 2HB ALA 37 3HB ALA 37 19.443 -3.027 2.491
282 3HB ALA 37 1HB ALA 37 18.995 -2.723 0.804
283 H ALA 38 H ALA 38 17.176 -3.875 4.074
284 HA ALA 38 HA ALA 38 16.940 -6.202 2.526
285 1HB ALA 38 2HB ALA 38 16.134 -5.629 5.414
286 2HB ALA 38 3HB ALA 38 16.227 -7.235 4.683
287 3HB ALA 38 1HB ALA 38 17.695 -6.241 4.813
288 H LYS 39 H LYS 39 14.322 -4.752 4.526
289 HA LYS 39 HA LYS 39 12.402 -6.387 3.207
290 1HB LYS 39 1HB LYS 39 12.311 -5.278 5.543
291 2HB LYS 39 2HB LYS 39 11.482 -3.941 4.728
292 1HG LYS 39 1HG LYS 39 9.681 -5.316 4.058
293 2HG LYS 39 2HG LYS 39 10.605 -6.799 4.237
294 1HD LYS 39 1HD LYS 39 9.073 -6.883 5.928
295 2HD LYS 39 2HD LYS 39 10.594 -6.494 6.724
296 1HE LYS 39 1HE LYS 39 9.876 -4.164 7.019
297 2HE LYS 39 2HE LYS 39 8.438 -4.450 6.012
298 1HZ LYS 39 2HZ LYS 39 8.972 -5.792 8.600
299 2HZ LYS 39 3HZ LYS 39 7.874 -4.585 8.387
300 3HZ LYS 39 1HZ LYS 39 7.661 -6.031 7.653
301 H ARG 40 H ARG 40 13.844 -3.502 2.091
302 HA ARG 40 HA ARG 40 11.666 -2.839 0.231
303 1HB ARG 40 1HB ARG 40 13.322 -1.097 0.641
304 2HB ARG 40 2HB ARG 40 14.623 -2.146 0.122
305 1HG ARG 40 1HG ARG 40 14.343 -1.543 -2.042
306 2HG ARG 40 2HG ARG 40 12.677 -2.085 -2.025
307 1HD ARG 40 1HD ARG 40 12.545 0.114 -2.709
308 2HD ARG 40 2HD ARG 40 11.992 0.103 -1.052
309 HE ARG 40 HE ARG 40 14.264 0.925 -0.367
310 1HH1 ARG 40 2HH2 ARG 40 13.313 1.419 -3.805
311 2HH1 ARG 40 1HH2 ARG 40 14.316 2.831 -3.939
312 1HH2 ARG 40 2HH1 ARG 40 15.636 2.649 -0.676
313 2HH2 ARG 40 1HH1 ARG 40 15.926 3.253 -2.287
314 H GLU 41 H GLU 41 14.797 -4.717 0.002
315 HA GLU 41 HA GLU 41 14.093 -5.668 -2.597
316 1HB GLU 41 1HB GLU 41 16.061 -6.849 -0.620
317 2HB GLU 41 2HB GLU 41 15.834 -7.366 -2.307
318 1HG GLU 41 1HG GLU 41 16.084 -4.823 -2.894
319 2HG GLU 41 2HG GLU 41 16.784 -4.666 -1.290
320 H GLU 42 H GLU 42 13.076 -6.887 0.521
321 HA GLU 42 HA GLU 42 11.720 -9.248 -0.392
322 1HB GLU 42 1HB GLU 42 12.055 -8.649 2.015
323 2HB GLU 42 2HB GLU 42 10.989 -7.274 1.802
324 1HG GLU 42 1HG GLU 42 9.591 -8.751 2.826
325 2HG GLU 42 2HG GLU 42 9.145 -8.974 1.144
326 H MET 43 H MET 43 10.428 -5.916 0.143
327 HA MET 43 HA MET 43 7.923 -6.199 -1.032
328 1HB MET 43 1HB MET 43 8.446 -4.284 0.264
329 2HB MET 43 2HB MET 43 9.812 -3.834 -0.721
330 1HG MET 43 1HG MET 43 7.021 -3.827 -1.861
331 2HG MET 43 2HG MET 43 7.642 -2.471 -0.928
332 1HE MET 43 3HE MET 43 10.301 -1.555 -1.574
333 2HE MET 43 1HE MET 43 10.160 -0.688 -3.127
334 3HE MET 43 2HE MET 43 8.893 -0.510 -1.895
335 H ILE 44 H ILE 44 11.005 -5.454 -2.674
336 HA ILE 44 HA ILE 44 9.945 -4.950 -5.246
337 HB ILE 44 HB ILE 44 12.639 -5.938 -4.240
338 1HG1 ILE 44 1HG1 ILE 44 11.837 -3.364 -5.583
339 2HG1 ILE 44 2HG1 ILE 44 11.704 -3.531 -3.853
340 1HG2 ILE 44 2HG2 ILE 44 11.911 -5.218 -7.113
341 2HG2 ILE 44 3HG2 ILE 44 13.563 -5.465 -6.514
342 3HG2 ILE 44 1HG2 ILE 44 12.452 -6.815 -6.534
343 1HD1 ILE 44 1HD1 ILE 44 14.322 -3.702 -5.409
344 2HD1 ILE 44 2HD1 ILE 44 13.729 -2.313 -4.491
345 3HD1 ILE 44 3HD1 ILE 44 14.132 -3.806 -3.646
346 H LYS 45 H LYS 45 11.099 -8.082 -3.830
347 HA LYS 45 HA LYS 45 10.266 -9.530 -6.217
348 1HB LYS 45 1HB LYS 45 11.341 -10.281 -3.500
349 2HB LYS 45 2HB LYS 45 10.660 -11.536 -4.560
350 1HG LYS 45 1HG LYS 45 12.197 -11.104 -6.308
351 2HG LYS 45 2HG LYS 45 12.646 -9.534 -5.668
352 1HD LYS 45 1HD LYS 45 14.466 -10.958 -5.372
353 2HD LYS 45 2HD LYS 45 13.822 -10.628 -3.767
354 1HE LYS 45 1HE LYS 45 12.805 -12.846 -3.660
355 2HE LYS 45 2HE LYS 45 13.131 -13.116 -5.378
356 1HZ LYS 45 1HZ LYS 45 15.554 -12.939 -4.765
357 2HZ LYS 45 2HZ LYS 45 15.122 -13.039 -3.203
358 3HZ LYS 45 3HZ LYS 45 14.779 -14.283 -4.250
359 H ARG 46 H ARG 46 8.576 -8.436 -3.392
360 HA ARG 46 HA ARG 46 6.284 -10.212 -3.844
361 1HB ARG 46 1HB ARG 46 6.528 -7.683 -2.191
362 2HB ARG 46 2HB ARG 46 5.185 -8.813 -2.143
363 1HG ARG 46 1HG ARG 46 7.899 -9.981 -1.568
364 2HG ARG 46 2HG ARG 46 7.243 -8.844 -0.402
365 1HD ARG 46 1HD ARG 46 6.677 -11.087 0.225
366 2HD ARG 46 2HD ARG 46 5.192 -10.217 -0.205
367 HE ARG 46 HE ARG 46 6.392 -11.754 -2.395
368 1HH1 ARG 46 2HH2 ARG 46 4.176 -12.021 0.420
369 2HH1 ARG 46 1HH2 ARG 46 3.568 -13.547 -0.097
370 1HH2 ARG 46 2HH1 ARG 46 5.440 -13.559 -3.132
371 2HH2 ARG 46 1HH1 ARG 46 4.219 -14.424 -2.218
372 H SER 47 H SER 47 7.244 -7.011 -4.998
373 HA SER 47 HA SER 47 4.481 -6.481 -5.953
374 1HB SER 47 1HB SER 47 6.900 -4.641 -5.766
375 2HB SER 47 2HB SER 47 5.219 -4.167 -6.020
376 HG SER 47 HG SER 47 6.517 -5.192 -3.755
377 H GLY 48 H GLY 48 7.712 -7.104 -7.290
378 1HA GLY 48 1HA GLY 48 8.384 -7.214 -9.503
379 2HA GLY 48 2HA GLY 48 6.771 -6.766 -10.034
380 H ARG 49 H ARG 49 7.447 -4.499 -7.747
381 HA ARG 49 HA ARG 49 8.514 -2.488 -9.670
382 1HB ARG 49 1HB ARG 49 6.249 -2.321 -7.646
383 2HB ARG 49 2HB ARG 49 7.065 -0.888 -8.288
384 1HG ARG 49 1HG ARG 49 6.361 -1.414 -10.551
385 2HG ARG 49 2HG ARG 49 5.593 -2.921 -10.009
386 1HD ARG 49 1HD ARG 49 4.001 -1.691 -8.637
387 2HD ARG 49 2HD ARG 49 4.846 -0.158 -8.951
388 HE ARG 49 HE ARG 49 4.176 -1.157 -11.450
389 1HH1 ARG 49 2HH2 ARG 49 2.349 0.122 -8.644
390 2HH1 ARG 49 1HH2 ARG 49 0.923 0.436 -9.608
391 1HH2 ARG 49 2HH1 ARG 49 2.416 -0.629 -12.649
392 2HH2 ARG 49 1HH1 ARG 49 1.075 0.238 -11.938
393 H THR 50 H THR 50 9.677 -0.788 -8.587
394 HA THR 50 HA THR 50 10.976 -1.642 -6.041
395 HB THR 50 HB THR 50 11.928 -0.598 -8.673
396 HG1 THR 50 HG1 THR 50 12.078 -2.753 -8.396
397 1HG2 THR 50 2HG2 THR 50 13.570 -0.515 -6.101
398 2HG2 THR 50 3HG2 THR 50 14.212 -0.298 -7.743
399 3HG2 THR 50 1HG2 THR 50 13.093 0.895 -7.068
400 H THR 51 H THR 51 9.039 0.778 -7.520
401 HA THR 51 HA THR 51 9.829 3.012 -5.893
402 HB THR 51 HB THR 51 7.612 3.876 -6.923
403 HG1 THR 51 HG1 THR 51 6.626 2.581 -8.415
404 1HG2 THR 51 1HG2 THR 51 9.850 4.290 -7.938
405 2HG2 THR 51 2HG2 THR 51 9.660 2.814 -8.915
406 3HG2 THR 51 3HG2 THR 51 8.543 4.179 -9.118
407 H VAL 52 H VAL 52 7.864 4.061 -4.745
408 HA VAL 52 HA VAL 52 6.104 2.133 -3.348
409 HB VAL 52 HB VAL 52 6.290 4.145 -1.523
410 1HG1 VAL 52 2HG1 VAL 52 6.493 1.722 -1.116
411 2HG1 VAL 52 3HG1 VAL 52 8.198 1.813 -1.616
412 3HG1 VAL 52 1HG1 VAL 52 7.613 2.710 -0.175
413 1HG2 VAL 52 1HG2 VAL 52 8.080 5.358 -2.695
414 2HG2 VAL 52 2HG2 VAL 52 8.607 4.748 -1.113
415 3HG2 VAL 52 3HG2 VAL 52 9.144 3.935 -2.577
416 HA PRO 53 HA PRO 53 4.550 2.688 -1.577
417 1HB PRO 53 1HB PRO 53 1.870 2.473 -1.312
418 2HB PRO 53 2HB PRO 53 2.771 3.911 -0.740
419 1HG PRO 53 1HG PRO 53 1.242 3.563 -3.332
420 2HG PRO 53 2HG PRO 53 1.187 4.945 -2.188
421 1HD PRO 53 1HD PRO 53 2.749 4.890 -4.461
422 2HD PRO 53 2HD PRO 53 3.219 5.800 -2.991
423 H GLN 54 H GLN 54 3.686 0.489 -1.391
424 HA GLN 54 HA GLN 54 2.709 -0.785 -3.854
425 1HB GLN 54 1HB GLN 54 4.741 -2.053 -1.952
426 2HB GLN 54 2HB GLN 54 3.963 -2.827 -3.313
427 1HG GLN 54 1HG GLN 54 6.013 -0.589 -3.396
428 2HG GLN 54 2HG GLN 54 6.221 -2.268 -3.892
429 1HE2 GLN 54 2HE2 GLN 54 5.597 0.124 -6.837
430 2HE2 GLN 54 1HE2 GLN 54 6.638 0.165 -5.434
431 H ILE 55 H ILE 55 0.694 -1.984 -3.215
432 HA ILE 55 HA ILE 55 0.311 -2.003 -0.302
433 HB ILE 55 HB ILE 55 -1.735 -1.298 -2.443
434 1HG1 ILE 55 1HG1 ILE 55 -0.135 0.458 -0.543
435 2HG1 ILE 55 2HG1 ILE 55 -0.070 0.501 -2.302
436 1HG2 ILE 55 3HG2 ILE 55 -2.639 -2.397 -0.383
437 2HG2 ILE 55 1HG2 ILE 55 -1.790 -1.192 0.606
438 3HG2 ILE 55 2HG2 ILE 55 -3.121 -0.713 -0.453
439 1HD1 ILE 55 3HD1 ILE 55 -2.406 1.316 -2.362
440 2HD1 ILE 55 1HD1 ILE 55 -2.365 1.449 -0.581
441 3HD1 ILE 55 2HD1 ILE 55 -1.262 2.412 -1.573
442 H PHE 56 H PHE 56 -0.800 -3.840 0.444
443 HA PHE 56 HA PHE 56 -1.314 -5.988 -1.500
444 1HB PHE 56 1HB PHE 56 0.230 -6.179 1.126
445 2HB PHE 56 2HB PHE 56 -0.388 -7.560 0.230
446 HD1 PHE 56 HD1 PHE 56 2.048 -4.722 0.078
447 HD2 PHE 56 HD2 PHE 56 0.755 -8.443 -1.680
448 HE1 PHE 56 HE1 PHE 56 4.069 -4.749 -1.393
449 HE2 PHE 56 HE2 PHE 56 2.785 -8.489 -3.087
450 HZ PHE 56 HZ PHE 56 4.402 -6.609 -2.995
451 H ILE 57 H ILE 57 -3.198 -7.149 -0.889
452 HA ILE 57 HA ILE 57 -4.279 -6.640 1.812
453 HB ILE 57 HB ILE 57 -6.001 -6.588 -0.683
454 1HG1 ILE 57 1HG1 ILE 57 -5.579 -4.365 1.378
455 2HG1 ILE 57 2HG1 ILE 57 -4.695 -4.405 -0.123
456 1HG2 ILE 57 2HG2 ILE 57 -6.575 -6.513 2.330
457 2HG2 ILE 57 3HG2 ILE 57 -7.783 -6.124 1.102
458 3HG2 ILE 57 1HG2 ILE 57 -7.093 -7.744 1.177
459 1HD1 ILE 57 3HD1 ILE 57 -6.865 -4.388 -1.391
460 2HD1 ILE 57 1HD1 ILE 57 -7.694 -4.132 0.154
461 3HD1 ILE 57 2HD1 ILE 57 -6.521 -2.934 -0.430
462 H ASP 58 H ASP 58 -4.123 -8.590 2.723
463 HA ASP 58 HA ASP 58 -3.843 -10.873 2.974
464 1HB ASP 58 1HB ASP 58 -6.141 -10.759 1.043
465 2HB ASP 58 2HB ASP 58 -5.623 -12.234 1.845
466 H ALA 59 H ALA 59 -2.102 -9.733 1.386
467 HA ALA 59 HA ALA 59 -0.245 -10.119 0.154
468 1HB ALA 59 2HB ALA 59 -0.273 -12.410 1.112
469 2HB ALA 59 3HB ALA 59 -1.160 -12.962 -0.329
470 3HB ALA 59 1HB ALA 59 0.474 -12.304 -0.493
471 H GLN 60 H GLN 60 -3.305 -10.076 -1.243
472 HA GLN 60 HA GLN 60 -2.527 -10.407 -4.028
473 1HB GLN 60 1HB GLN 60 -4.864 -8.856 -2.825
474 2HB GLN 60 2HB GLN 60 -4.691 -9.336 -4.500
475 1HG GLN 60 1HG GLN 60 -5.136 -11.597 -4.064
476 2HG GLN 60 2HG GLN 60 -4.731 -11.481 -2.355
477 1HE2 GLN 60 2HE2 GLN 60 -7.865 -10.294 -1.211
478 2HE2 GLN 60 1HE2 GLN 60 -6.144 -10.138 -0.969
479 H HIS 61 H HIS 61 -1.097 -8.981 -4.940
480 HA HIS 61 HA HIS 61 -0.481 -6.422 -3.657
481 1HB HIS 61 1HB HIS 61 1.269 -7.790 -4.745
482 2HB HIS 61 2HB HIS 61 0.451 -7.625 -6.297
483 HD1 HIS 61 HD1 HIS 61 1.411 -5.769 -7.758
484 HD2 HIS 61 HD2 HIS 61 1.805 -5.079 -3.604
485 HE1 HIS 61 HE1 HIS 61 2.906 -3.670 -7.474
486 HE2 HIS 61 HE2 HIS 61 3.074 -3.191 -5.026
487 H ILE 62 H ILE 62 -1.601 -4.595 -4.045
488 HA ILE 62 HA ILE 62 -3.729 -4.541 -6.005
489 HB ILE 62 HB ILE 62 -2.594 -2.160 -4.498
490 1HG1 ILE 62 1HG1 ILE 62 -2.678 -3.657 -2.746
491 2HG1 ILE 62 2HG1 ILE 62 -4.101 -2.660 -2.581
492 1HG2 ILE 62 1HG2 ILE 62 -4.425 -1.685 -6.076
493 2HG2 ILE 62 2HG2 ILE 62 -5.444 -2.886 -5.256
494 3HG2 ILE 62 3HG2 ILE 62 -4.934 -1.429 -4.395
495 1HD1 ILE 62 3HD1 ILE 62 -4.219 -5.453 -3.829
496 2HD1 ILE 62 1HD1 ILE 62 -4.566 -5.103 -2.160
497 3HD1 ILE 62 2HD1 ILE 62 -5.583 -4.400 -3.432
498 H GLY 63 H GLY 63 -0.553 -3.069 -5.592
499 1HA GLY 63 1HA GLY 63 0.754 -2.560 -7.738
500 2HA GLY 63 2HA GLY 63 -0.684 -1.585 -8.141
501 H GLY 64 H GLY 64 -0.516 0.484 -7.456
502 1HA GLY 64 1HA GLY 64 0.722 1.132 -4.833
503 2HA GLY 64 2HA GLY 64 0.998 2.090 -6.290
504 H TYR 65 H TYR 65 0.030 3.944 -5.704
505 HA TYR 65 HA TYR 65 -2.289 4.069 -3.954
506 1HB TYR 65 1HB TYR 65 -0.634 5.785 -3.650
507 2HB TYR 65 2HB TYR 65 -0.584 6.140 -5.369
508 HD1 TYR 65 HD2 TYR 65 -2.892 6.204 -2.432
509 HD2 TYR 65 HD1 TYR 65 -2.055 7.781 -6.356
510 HE1 TYR 65 HE2 TYR 65 -4.653 7.937 -2.120
511 HE2 TYR 65 HE1 TYR 65 -3.836 9.448 -6.075
512 HH TYR 65 HH TYR 65 -5.722 10.084 -4.712
513 H ASP 66 H ASP 66 -1.604 5.047 -7.389
514 HA ASP 66 HA ASP 66 -4.297 5.905 -7.844
515 1HB ASP 66 1HB ASP 66 -2.286 4.820 -9.850
516 2HB ASP 66 2HB ASP 66 -3.781 5.653 -10.256
517 H ASP 67 H ASP 67 -2.662 2.807 -8.071
518 HA ASP 67 HA ASP 67 -4.720 1.338 -9.456
519 1HB ASP 67 1HB ASP 67 -2.651 0.283 -7.481
520 2HB ASP 67 2HB ASP 67 -3.598 -0.661 -8.624
521 H LEU 68 H LEU 68 -3.852 1.713 -5.962
522 HA LEU 68 HA LEU 68 -6.089 0.283 -4.938
523 1HB LEU 68 1HB LEU 68 -4.170 0.831 -3.589
524 2HB LEU 68 2HB LEU 68 -4.545 2.554 -3.632
525 HG LEU 68 HG LEU 68 -6.874 0.882 -2.829
526 1HD1 LEU 68 1HD1 LEU 68 -5.092 -0.493 -1.868
527 2HD1 LEU 68 2HD1 LEU 68 -4.578 0.922 -0.901
528 3HD1 LEU 68 3HD1 LEU 68 -6.191 0.211 -0.678
529 1HD2 LEU 68 1HD2 LEU 68 -6.742 3.393 -2.613
530 2HD2 LEU 68 2HD2 LEU 68 -7.175 2.560 -1.129
531 3HD2 LEU 68 3HD2 LEU 68 -5.516 3.176 -1.352
532 H TYR 69 H TYR 69 -5.746 3.740 -5.611
533 HA TYR 69 HA TYR 69 -8.218 4.602 -4.553
534 1HB TYR 69 1HB TYR 69 -6.589 6.236 -5.369
535 2HB TYR 69 2HB TYR 69 -6.670 5.599 -6.996
536 HD1 TYR 69 HD2 TYR 69 -8.795 7.301 -4.386
537 HD2 TYR 69 HD1 TYR 69 -8.287 6.326 -8.564
538 HE1 TYR 69 HE2 TYR 69 -10.870 8.516 -4.912
539 HE2 TYR 69 HE1 TYR 69 -10.364 7.553 -9.105
540 HH TYR 69 HH TYR 69 -12.646 8.419 -6.706
541 H ALA 70 H ALA 70 -7.460 3.436 -7.755
542 HA ALA 70 HA ALA 70 -10.172 3.669 -8.781
543 1HB ALA 70 2HB ALA 70 -7.808 1.994 -9.764
544 2HB ALA 70 3HB ALA 70 -9.321 2.266 -10.652
545 3HB ALA 70 1HB ALA 70 -8.240 3.636 -10.300
546 H LEU 71 H LEU 71 -8.235 1.002 -7.479
547 HA LEU 71 HA LEU 71 -10.186 -1.089 -7.653
548 1HB LEU 71 1HB LEU 71 -7.643 -1.213 -7.334
549 2HB LEU 71 2HB LEU 71 -7.991 -1.013 -5.626
550 HG LEU 71 HG LEU 71 -9.795 -2.980 -7.036
551 1HD1 LEU 71 1HD1 LEU 71 -6.876 -3.694 -6.707
552 2HD1 LEU 71 2HD1 LEU 71 -8.215 -4.794 -7.093
553 3HD1 LEU 71 3HD1 LEU 71 -7.767 -3.515 -8.233
554 1HD2 LEU 71 2HD2 LEU 71 -9.728 -2.476 -4.627
555 2HD2 LEU 71 3HD2 LEU 71 -9.534 -4.192 -5.049
556 3HD2 LEU 71 1HD2 LEU 71 -8.117 -3.200 -4.554
557 H ASP 72 H ASP 72 -9.591 1.310 -5.082
558 HA ASP 72 HA ASP 72 -11.524 0.232 -3.240
559 1HB ASP 72 1HB ASP 72 -9.823 1.966 -2.562
560 2HB ASP 72 2HB ASP 72 -10.665 3.140 -3.561
561 H ALA 73 H ALA 73 -11.631 2.940 -5.508
562 HA ALA 73 HA ALA 73 -14.355 3.468 -5.210
563 1HB ALA 73 2HB ALA 73 -12.314 4.183 -7.342
564 2HB ALA 73 3HB ALA 73 -13.946 4.854 -7.307
565 3HB ALA 73 1HB ALA 73 -12.835 5.157 -5.958
566 H ARG 74 H ARG 74 -12.929 0.993 -7.176
567 HA ARG 74 HA ARG 74 -15.324 0.532 -8.767
568 1HB ARG 74 1HB ARG 74 -14.187 -1.097 -9.783
569 2HB ARG 74 2HB ARG 74 -12.831 -0.225 -9.153
570 1HG ARG 74 1HG ARG 74 -12.089 -2.228 -8.472
571 2HG ARG 74 2HG ARG 74 -13.225 -2.060 -7.155
572 1HD ARG 74 1HD ARG 74 -14.932 -3.303 -8.462
573 2HD ARG 74 2HD ARG 74 -13.808 -3.454 -9.807
574 HE ARG 74 HE ARG 74 -12.376 -4.574 -7.818
575 1HH1 ARG 74 2HH2 ARG 74 -15.664 -5.273 -9.076
576 2HH1 ARG 74 1HH2 ARG 74 -15.717 -6.817 -8.287
577 1HH2 ARG 74 2HH1 ARG 74 -12.605 -6.699 -6.731
578 2HH2 ARG 74 1HH1 ARG 74 -14.057 -7.583 -7.093
579 H GLY 75 H GLY 75 -14.734 0.155 -5.476
580 1HA GLY 75 1HA GLY 75 -16.052 -0.802 -3.815
581 2HA GLY 75 2HA GLY 75 -17.003 -1.660 -5.032
582 H GLY 76 H GLY 76 -13.407 -1.782 -5.162
583 1HA GLY 76 1HA GLY 76 -13.633 -4.711 -4.858
584 2HA GLY 76 2HA GLY 76 -12.415 -3.792 -5.746
585 H LEU 77 H LEU 77 -12.024 -1.872 -3.423
586 HA LEU 77 HA LEU 77 -10.102 -3.485 -1.916
587 1HB LEU 77 1HB LEU 77 -9.932 -0.973 -2.332
588 2HB LEU 77 2HB LEU 77 -11.235 -0.752 -1.165
589 HG LEU 77 HG LEU 77 -8.388 -1.682 -0.726
590 1HD1 LEU 77 2HD1 LEU 77 -8.936 0.749 -0.813
591 2HD1 LEU 77 3HD1 LEU 77 -10.031 0.524 0.562
592 3HD1 LEU 77 1HD1 LEU 77 -8.295 0.243 0.765
593 1HD2 LEU 77 1HD2 LEU 77 -10.609 -1.788 1.356
594 2HD2 LEU 77 2HD2 LEU 77 -9.553 -3.123 0.843
595 3HD2 LEU 77 3HD2 LEU 77 -8.874 -1.788 1.746
596 H ASP 78 H ASP 78 -13.295 -2.038 -1.388
597 HA ASP 78 HA ASP 78 -13.693 -2.451 1.272
598 1HB ASP 78 1HB ASP 78 -15.296 -1.197 0.109
599 2HB ASP 78 2HB ASP 78 -15.625 -2.475 -1.055
600 HA PRO 79 HA PRO 79 -15.341 -6.933 0.950
601 1HB PRO 79 1HB PRO 79 -14.997 -8.448 -1.304
602 2HB PRO 79 2HB PRO 79 -16.389 -7.345 -1.106
603 1HG PRO 79 1HG PRO 79 -13.773 -6.786 -2.548
604 2HG PRO 79 2HG PRO 79 -15.441 -6.532 -3.156
605 1HD PRO 79 1HD PRO 79 -14.067 -4.504 -2.087
606 2HD PRO 79 2HD PRO 79 -15.798 -4.700 -1.713
607 H LEU 80 H LEU 80 -12.225 -6.040 -0.385
608 HA LEU 80 HA LEU 80 -10.962 -8.590 0.447
609 1HB LEU 80 1HB LEU 80 -9.706 -6.066 -0.669
610 2HB LEU 80 2HB LEU 80 -8.898 -7.600 -0.324
611 HG LEU 80 HG LEU 80 -11.015 -7.170 -2.450
612 1HD1 LEU 80 3HD1 LEU 80 -8.802 -6.182 -2.961
613 2HD1 LEU 80 1HD1 LEU 80 -8.024 -7.747 -2.642
614 3HD1 LEU 80 2HD1 LEU 80 -9.147 -7.563 -4.008
615 1HD2 LEU 80 3HD2 LEU 80 -9.564 -9.695 -1.631
616 2HD2 LEU 80 1HD2 LEU 80 -11.310 -9.405 -1.672
617 3HD2 LEU 80 2HD2 LEU 80 -10.400 -9.477 -3.189
618 H LEU 81 H LEU 81 -11.897 -5.553 1.763
619 HA LEU 81 HA LEU 81 -9.820 -5.304 3.750
620 1HB LEU 81 1HB LEU 81 -11.628 -3.624 2.612
621 2HB LEU 81 2HB LEU 81 -12.518 -4.035 4.057
622 HG LEU 81 HG LEU 81 -9.812 -2.703 3.831
623 1HD1 LEU 81 3HD1 LEU 81 -11.763 -1.295 3.349
624 2HD1 LEU 81 1HD1 LEU 81 -12.496 -1.757 4.893
625 3HD1 LEU 81 2HD1 LEU 81 -11.003 -0.808 4.876
626 1HD2 LEU 81 3HD2 LEU 81 -9.707 -4.072 5.876
627 2HD2 LEU 81 1HD2 LEU 81 -9.723 -2.344 6.229
628 3HD2 LEU 81 2HD2 LEU 81 -11.195 -3.307 6.451
629 H LYS 82 H LYS 82 -11.453 -7.890 3.523
630 HA LYS 82 HA LYS 82 -11.980 -8.281 6.382
631 1HB LYS 82 1HB LYS 82 -14.154 -8.283 5.219
632 2HB LYS 82 2HB LYS 82 -13.585 -9.483 4.067
633 1HG LYS 82 1HG LYS 82 -13.579 -10.021 7.064
634 2HG LYS 82 2HG LYS 82 -15.056 -10.147 6.135
635 1HD LYS 82 1HD LYS 82 -14.588 -12.172 5.412
636 2HD LYS 82 2HD LYS 82 -13.054 -11.692 4.726
637 1HE LYS 82 1HE LYS 82 -13.513 -12.419 7.655
638 2HE LYS 82 2HE LYS 82 -12.918 -13.540 6.419
639 1HZ LYS 82 2HZ LYS 82 -10.988 -12.088 6.135
640 2HZ LYS 82 3HZ LYS 82 -11.518 -11.088 7.311
641 3HZ LYS 82 1HZ LYS 82 -11.104 -12.636 7.674
642 1HB2 GTT 83 1HB2 GTT 83 8.784 7.365 -2.868
643 2HB2 GTT 83 2HB2 GTT 83 9.952 8.640 -3.200
644 HA2 GTT 83 HA2 GTT 83 9.837 8.332 -5.519
645 HN2 GTT 83 HN2 GTT 83 7.463 6.595 -5.389
646 1HG1 GTT 83 1HG1 GTT 83 5.498 7.445 -6.554
647 2HG1 GTT 83 2HG1 GTT 83 6.551 6.637 -7.725
648 1HB1 GTT 83 1HB1 GTT 83 6.402 8.638 -9.214
649 2HB1 GTT 83 2HB1 GTT 83 5.352 9.429 -8.025
650 HA1 GTT 83 HA1 GTT 83 3.688 7.626 -8.255
651 1HN1 GTT 83 1HN1 GTT 83 3.975 6.195 -10.217
652 2HN1 GTT 83 2HN1 GTT 83 5.567 6.570 -10.235
653 3HN1 GTT 83 3HN1 GTT 83 4.926 5.791 -8.915
654 HN3 GTT 83 HN3 GTT 83 11.701 6.996 -4.274
655 1HA3 GTT 83 1HA3 GTT 83 11.423 4.284 -3.606
656 2HA3 GTT 83 2HA3 GTT 83 11.914 4.399 -5.312
No H/Q in entry = 656
Start of MODEL 13
1 1H ALA 1 1H ALA 1 -8.420 -10.424 8.616
2 2H ALA 1 2H ALA 1 -9.527 -10.824 7.451
3 3H ALA 1 3H ALA 1 -7.996 -11.406 7.352
4 HA ALA 1 HA ALA 1 -8.218 -9.680 5.798
5 1HB ALA 1 1HB ALA 1 -10.101 -8.513 6.875
6 2HB ALA 1 2HB ALA 1 -9.031 -7.981 8.196
7 3HB ALA 1 3HB ALA 1 -8.774 -7.384 6.547
8 H ASN 2 H ASN 2 -6.422 -8.356 5.287
9 HA ASN 2 HA ASN 2 -4.507 -7.576 7.342
10 1HB ASN 2 1HB ASN 2 -4.134 -10.047 6.922
11 2HB ASN 2 2HB ASN 2 -3.710 -9.680 5.272
12 1HD2 ASN 2 2HD2 ASN 2 -0.534 -8.185 6.049
13 2HD2 ASN 2 1HD2 ASN 2 -1.918 -8.035 4.982
14 H VAL 3 H VAL 3 -5.106 -5.478 6.344
15 HA VAL 3 HA VAL 3 -4.104 -4.990 3.613
16 HB VAL 3 HB VAL 3 -5.315 -3.078 5.655
17 1HG1 VAL 3 2HG1 VAL 3 -4.718 -2.714 2.685
18 2HG1 VAL 3 3HG1 VAL 3 -5.596 -1.564 3.719
19 3HG1 VAL 3 1HG1 VAL 3 -3.892 -1.906 4.028
20 1HG2 VAL 3 3HG2 VAL 3 -6.605 -4.453 3.259
21 2HG2 VAL 3 1HG2 VAL 3 -7.028 -4.681 4.968
22 3HG2 VAL 3 2HG2 VAL 3 -7.319 -3.123 4.184
23 H GLU 4 H GLU 4 -2.006 -4.511 3.334
24 HA GLU 4 HA GLU 4 -0.474 -3.224 5.536
25 1HB GLU 4 1HB GLU 4 0.329 -5.302 3.494
26 2HB GLU 4 2HB GLU 4 1.528 -4.236 4.221
27 1HG GLU 4 1HG GLU 4 1.074 -5.109 6.431
28 2HG GLU 4 2HG GLU 4 -0.316 -6.027 5.838
29 H ILE 5 H ILE 5 0.982 -1.545 4.764
30 HA ILE 5 HA ILE 5 1.084 -0.963 1.888
31 HB ILE 5 HB ILE 5 -0.746 0.407 2.356
32 1HG1 ILE 5 1HG1 ILE 5 1.698 2.218 2.594
33 2HG1 ILE 5 2HG1 ILE 5 1.214 1.430 1.112
34 1HG2 ILE 5 3HG2 ILE 5 -0.671 0.383 4.853
35 2HG2 ILE 5 1HG2 ILE 5 0.628 1.593 4.793
36 3HG2 ILE 5 2HG2 ILE 5 -0.996 1.975 4.188
37 1HD1 ILE 5 2HD1 ILE 5 -0.442 3.484 2.645
38 2HD1 ILE 5 3HD1 ILE 5 0.520 3.748 1.195
39 3HD1 ILE 5 1HD1 ILE 5 -0.914 2.695 1.122
40 H TYR 6 H TYR 6 3.115 -0.822 1.387
41 HA TYR 6 HA TYR 6 5.219 -0.244 3.334
42 1HB TYR 6 1HB TYR 6 5.163 -0.625 0.314
43 2HB TYR 6 2HB TYR 6 6.608 -0.176 1.202
44 HD1 TYR 6 HD1 TYR 6 7.435 -1.635 3.084
45 HD2 TYR 6 HD2 TYR 6 4.515 -2.942 0.212
46 HE1 TYR 6 HE1 TYR 6 7.955 -4.021 3.633
47 HE2 TYR 6 HE2 TYR 6 5.110 -5.326 0.679
48 HH TYR 6 HH TYR 6 6.458 -6.309 3.379
49 H THR 7 H THR 7 6.023 1.765 3.763
50 HA THR 7 HA THR 7 5.317 4.042 1.989
51 HB THR 7 HB THR 7 5.024 5.334 4.103
52 HG1 THR 7 HG1 THR 7 4.802 4.165 6.041
53 1HG2 THR 7 1HG2 THR 7 3.054 4.303 2.933
54 2HG2 THR 7 2HG2 THR 7 3.206 2.899 4.023
55 3HG2 THR 7 3HG2 THR 7 2.827 4.484 4.683
56 H LYS 8 H LYS 8 6.805 5.955 2.526
57 HA LYS 8 HA LYS 8 9.237 5.219 3.906
58 1HB LYS 8 1HB LYS 8 10.818 5.717 2.264
59 2HB LYS 8 2HB LYS 8 9.707 4.597 1.489
60 1HG LYS 8 1HG LYS 8 8.655 6.512 0.268
61 2HG LYS 8 2HG LYS 8 9.698 7.633 1.113
62 1HD LYS 8 1HD LYS 8 11.694 6.230 0.176
63 2HD LYS 8 2HD LYS 8 10.480 5.612 -0.953
64 1HE LYS 8 1HE LYS 8 11.573 7.398 -2.043
65 2HE LYS 8 2HE LYS 8 9.976 7.990 -1.612
66 1HZ LYS 8 2HZ LYS 8 11.093 9.094 0.338
67 2HZ LYS 8 3HZ LYS 8 12.527 8.540 -0.210
68 3HZ LYS 8 1HZ LYS 8 11.640 9.603 -1.130
69 H GLU 9 H GLU 9 10.167 7.152 4.762
70 HA GLU 9 HA GLU 9 8.716 9.598 4.791
71 1HB GLU 9 1HB GLU 9 10.163 8.849 6.589
72 2HB GLU 9 2HB GLU 9 11.596 8.955 5.559
73 1HG GLU 9 1HG GLU 9 11.706 11.263 5.709
74 2HG GLU 9 2HG GLU 9 9.962 11.453 5.850
75 H THR 10 H THR 10 9.490 11.663 4.044
76 HA THR 10 HA THR 10 9.676 13.106 2.390
77 HB THR 10 HB THR 10 11.880 13.178 3.240
78 HG1 THR 10 HG1 THR 10 12.870 14.022 1.319
79 1HG2 THR 10 1HG2 THR 10 12.724 11.102 1.193
80 2HG2 THR 10 2HG2 THR 10 13.828 12.167 2.080
81 3HG2 THR 10 3HG2 THR 10 12.842 11.004 2.960
82 H CYS 11 H CYS 11 7.876 11.691 1.576
83 HA CYS 11 HA CYS 11 8.110 11.565 -1.285
84 1HB CYS 11 1HB CYS 11 8.995 9.397 -0.875
85 2HB CYS 11 2HB CYS 11 7.732 9.013 0.289
86 HA PRO 12 HA PRO 12 4.103 12.842 0.452
87 1HB PRO 12 1HB PRO 12 3.029 14.075 -1.687
88 2HB PRO 12 2HB PRO 12 4.224 14.867 -0.609
89 1HG PRO 12 1HG PRO 12 4.724 13.574 -3.298
90 2HG PRO 12 2HG PRO 12 5.402 15.105 -2.665
91 1HD PRO 12 1HD PRO 12 6.775 12.732 -2.613
92 2HD PRO 12 2HD PRO 12 6.973 13.955 -1.326
93 H TYR 13 H TYR 13 4.513 11.319 -2.787
94 HA TYR 13 HA TYR 13 1.882 10.256 -3.120
95 1HB TYR 13 1HB TYR 13 3.997 10.462 -4.685
96 2HB TYR 13 2HB TYR 13 4.498 8.941 -3.969
97 HD1 TYR 13 HD2 TYR 13 1.830 10.669 -5.941
98 HD2 TYR 13 HD1 TYR 13 3.536 6.895 -4.739
99 HE1 TYR 13 HE2 TYR 13 0.402 9.520 -7.581
100 HE2 TYR 13 HE1 TYR 13 2.066 5.727 -6.329
101 HH TYR 13 HH TYR 13 -0.373 7.411 -8.339
102 H SER 14 H SER 14 4.596 9.050 -1.131
103 HA SER 14 HA SER 14 3.272 6.588 -0.358
104 1HB SER 14 1HB SER 14 5.516 6.508 0.051
105 2HB SER 14 2HB SER 14 5.633 8.188 0.592
106 HG SER 14 HG SER 14 5.532 7.504 2.518
107 H HIS 15 H HIS 15 3.459 9.903 1.011
108 HA HIS 15 HA HIS 15 1.818 9.307 3.291
109 1HB HIS 15 1HB HIS 15 2.607 11.905 2.016
110 2HB HIS 15 2HB HIS 15 1.323 11.866 3.217
111 HD1 HIS 15 HD1 HIS 15 1.975 11.415 5.761
112 HD2 HIS 15 HD2 HIS 15 5.122 11.017 2.926
113 HE1 HIS 15 HE1 HIS 15 4.166 11.219 7.076
114 HE2 HIS 15 HE2 HIS 15 6.062 10.991 5.350
115 H ARG 16 H ARG 16 0.934 10.665 0.177
116 HA ARG 16 HA ARG 16 -1.792 11.087 0.418
117 1HB ARG 16 1HB ARG 16 0.030 10.161 -1.830
118 2HB ARG 16 2HB ARG 16 -1.663 10.387 -2.116
119 1HG ARG 16 1HG ARG 16 -1.526 12.758 -1.369
120 2HG ARG 16 2HG ARG 16 0.220 12.554 -1.142
121 1HD ARG 16 1HD ARG 16 0.232 11.699 -3.600
122 2HD ARG 16 2HD ARG 16 -1.398 12.383 -3.705
123 HE ARG 16 HE ARG 16 -0.191 14.526 -2.836
124 1HH1 ARG 16 2HH2 ARG 16 0.581 12.511 -5.600
125 2HH1 ARG 16 1HH2 ARG 16 1.978 13.395 -6.115
126 1HH2 ARG 16 2HH1 ARG 16 1.429 15.939 -3.641
127 2HH2 ARG 16 1HH1 ARG 16 2.344 15.520 -5.063
128 H ALA 17 H ALA 17 -0.156 7.882 -0.242
129 HA ALA 17 HA ALA 17 -2.728 6.637 -0.559
130 1HB ALA 17 3HB ALA 17 -0.668 5.778 -1.600
131 2HB ALA 17 1HB ALA 17 -0.018 5.440 0.016
132 3HB ALA 17 2HB ALA 17 -1.440 4.539 -0.582
133 H LYS 18 H LYS 18 -0.809 7.236 2.282
134 HA LYS 18 HA LYS 18 -2.467 5.394 3.937
135 1HB LYS 18 1HB LYS 18 -0.957 7.775 5.059
136 2HB LYS 18 2HB LYS 18 -1.581 6.373 5.894
137 1HG LYS 18 1HG LYS 18 0.501 5.535 5.809
138 2HG LYS 18 2HG LYS 18 0.153 5.167 4.116
139 1HD LYS 18 1HD LYS 18 2.175 6.453 3.986
140 2HD LYS 18 2HD LYS 18 0.866 7.524 3.595
141 1HE LYS 18 1HE LYS 18 2.303 8.756 5.081
142 2HE LYS 18 2HE LYS 18 0.848 8.355 5.992
143 1HZ LYS 18 3HZ LYS 18 2.158 6.540 7.026
144 2HZ LYS 18 1HZ LYS 18 3.508 7.074 6.251
145 3HZ LYS 18 2HZ LYS 18 2.699 8.043 7.317
146 H ALA 19 H ALA 19 -2.310 8.908 3.159
147 HA ALA 19 HA ALA 19 -4.545 9.714 4.641
148 1HB ALA 19 2HB ALA 19 -2.917 11.211 3.397
149 2HB ALA 19 3HB ALA 19 -3.760 10.792 1.903
150 3HB ALA 19 1HB ALA 19 -4.634 11.632 3.183
151 H LEU 20 H LEU 20 -4.434 8.024 1.527
152 HA LEU 20 HA LEU 20 -7.258 8.268 0.958
153 1HB LEU 20 1HB LEU 20 -5.679 7.718 -0.759
154 2HB LEU 20 2HB LEU 20 -5.172 6.245 0.033
155 HG LEU 20 HG LEU 20 -6.757 6.258 -2.063
156 1HD1 LEU 20 2HD1 LEU 20 -6.022 4.218 -0.920
157 2HD1 LEU 20 3HD1 LEU 20 -7.443 4.317 0.150
158 3HD1 LEU 20 1HD1 LEU 20 -7.643 4.104 -1.596
159 1HD2 LEU 20 2HD2 LEU 20 -8.802 6.542 0.138
160 2HD2 LEU 20 3HD2 LEU 20 -8.564 7.596 -1.260
161 3HD2 LEU 20 1HD2 LEU 20 -9.150 5.922 -1.463
162 H LEU 21 H LEU 21 -5.366 5.490 2.253
163 HA LEU 21 HA LEU 21 -7.636 3.972 3.006
164 1HB LEU 21 1HB LEU 21 -4.743 4.031 3.867
165 2HB LEU 21 2HB LEU 21 -5.877 2.932 4.630
166 HG LEU 21 HG LEU 21 -5.896 2.982 1.625
167 1HD1 LEU 21 2HD1 LEU 21 -3.704 1.667 3.246
168 2HD1 LEU 21 3HD1 LEU 21 -4.051 1.364 1.520
169 3HD1 LEU 21 1HD1 LEU 21 -3.535 2.971 2.043
170 1HD2 LEU 21 1HD2 LEU 21 -6.159 0.783 3.724
171 2HD2 LEU 21 2HD2 LEU 21 -7.483 1.550 2.827
172 3HD2 LEU 21 3HD2 LEU 21 -6.300 0.548 1.973
173 H SER 22 H SER 22 -6.059 6.587 4.762
174 HA SER 22 HA SER 22 -7.498 6.182 7.232
175 1HB SER 22 1HB SER 22 -5.213 7.262 6.861
176 2HB SER 22 2HB SER 22 -6.068 8.696 6.266
177 HG SER 22 HG SER 22 -6.939 8.985 8.253
178 H SER 23 H SER 23 -7.928 8.372 4.351
179 HA SER 23 HA SER 23 -10.291 9.678 5.276
180 1HB SER 23 1HB SER 23 -8.917 10.518 3.457
181 2HB SER 23 2HB SER 23 -9.149 9.042 2.521
182 HG SER 23 HG SER 23 -11.360 10.653 3.274
183 H LYS 24 H LYS 24 -9.679 6.576 3.706
184 HA LYS 24 HA LYS 24 -12.481 5.784 3.475
185 1HB LYS 24 1HB LYS 24 -9.826 4.297 3.269
186 2HB LYS 24 2HB LYS 24 -11.383 3.576 2.872
187 1HG LYS 24 1HG LYS 24 -10.463 6.137 1.511
188 2HG LYS 24 2HG LYS 24 -9.908 4.552 0.949
189 1HD LYS 24 1HD LYS 24 -11.962 3.928 0.237
190 2HD LYS 24 2HD LYS 24 -12.842 4.916 1.389
191 1HE LYS 24 1HE LYS 24 -12.118 6.973 0.134
192 2HE LYS 24 2HE LYS 24 -11.429 5.899 -1.107
193 1HZ LYS 24 3HZ LYS 24 -14.248 5.800 -0.246
194 2HZ LYS 24 1HZ LYS 24 -13.738 6.632 -1.569
195 3HZ LYS 24 2HZ LYS 24 -13.536 4.977 -1.495
196 H GLY 25 H GLY 25 -10.443 6.122 6.148
197 1HA GLY 25 1HA GLY 25 -10.356 5.296 8.233
198 2HA GLY 25 2HA GLY 25 -12.105 5.121 8.060
199 H VAL 26 H VAL 26 -9.143 3.450 6.851
200 HA VAL 26 HA VAL 26 -10.393 0.840 7.577
201 HB VAL 26 HB VAL 26 -8.152 1.280 5.595
202 1HG1 VAL 26 1HG1 VAL 26 -10.075 -1.001 6.091
203 2HG1 VAL 26 2HG1 VAL 26 -8.978 -0.920 4.691
204 3HG1 VAL 26 3HG1 VAL 26 -8.313 -1.014 6.315
205 1HG2 VAL 26 3HG2 VAL 26 -11.149 1.131 4.984
206 2HG2 VAL 26 1HG2 VAL 26 -10.073 2.507 4.677
207 3HG2 VAL 26 2HG2 VAL 26 -9.859 1.020 3.763
208 H SER 27 H SER 27 -9.077 -0.667 8.579
209 HA SER 27 HA SER 27 -6.819 0.264 10.221
210 1HB SER 27 1HB SER 27 -8.105 -2.476 9.833
211 2HB SER 27 2HB SER 27 -6.869 -2.082 11.039
212 HG SER 27 HG SER 27 -8.989 -2.041 11.873
213 H PHE 28 H PHE 28 -4.856 0.445 9.192
214 HA PHE 28 HA PHE 28 -4.070 -1.717 7.331
215 1HB PHE 28 1HB PHE 28 -2.976 -0.157 5.823
216 2HB PHE 28 2HB PHE 28 -4.711 0.090 5.863
217 HD1 PHE 28 HD1 PHE 28 -5.684 2.120 6.826
218 HD2 PHE 28 HD2 PHE 28 -1.416 1.583 6.720
219 HE1 PHE 28 HE1 PHE 28 -5.375 4.537 7.258
220 HE2 PHE 28 HE2 PHE 28 -1.104 4.007 7.087
221 HZ PHE 28 HZ PHE 28 -3.091 5.495 7.390
222 H GLN 29 H GLN 29 -1.998 -2.318 7.450
223 HA GLN 29 HA GLN 29 -0.413 -1.578 9.768
224 1HB GLN 29 1HB GLN 29 -1.072 -3.967 9.292
225 2HB GLN 29 2HB GLN 29 -0.190 -3.890 7.782
226 1HG GLN 29 1HG GLN 29 1.917 -3.437 8.960
227 2HG GLN 29 2HG GLN 29 1.063 -3.299 10.499
228 1HE2 GLN 29 2HE2 GLN 29 0.415 -6.896 10.746
229 2HE2 GLN 29 1HE2 GLN 29 -0.323 -5.341 11.064
230 H GLU 30 H GLU 30 0.470 0.189 9.132
231 HA GLU 30 HA GLU 30 1.766 0.649 6.540
232 1HB GLU 30 1HB GLU 30 1.159 2.352 8.648
233 2HB GLU 30 2HB GLU 30 2.913 2.082 8.859
234 1HG GLU 30 1HG GLU 30 3.206 2.597 6.430
235 2HG GLU 30 2HG GLU 30 1.506 3.085 6.370
236 H LEU 31 H LEU 31 3.880 0.219 5.962
237 HA LEU 31 HA LEU 31 5.803 -0.898 7.933
238 1HB LEU 31 1HB LEU 31 5.349 -1.700 5.030
239 2HB LEU 31 2HB LEU 31 6.763 -2.118 5.970
240 HG LEU 31 HG LEU 31 5.480 -3.970 5.882
241 1HD1 LEU 31 2HD1 LEU 31 6.375 -3.461 8.168
242 2HD1 LEU 31 3HD1 LEU 31 4.771 -2.874 8.619
243 3HD1 LEU 31 1HD1 LEU 31 4.985 -4.569 8.179
244 1HD2 LEU 31 2HD2 LEU 31 3.315 -2.949 5.218
245 2HD2 LEU 31 3HD2 LEU 31 3.198 -4.306 6.355
246 3HD2 LEU 31 1HD2 LEU 31 3.003 -2.655 6.943
247 HA PRO 32 HA PRO 32 7.885 2.774 5.972
248 1HB PRO 32 1HB PRO 32 9.842 3.045 7.867
249 2HB PRO 32 2HB PRO 32 8.212 3.755 8.040
250 1HG PRO 32 1HG PRO 32 9.232 1.127 9.167
251 2HG PRO 32 2HG PRO 32 8.367 2.416 10.037
252 1HD PRO 32 1HD PRO 32 7.057 0.247 9.101
253 2HD PRO 32 2HD PRO 32 6.297 1.861 8.975
254 H ILE 33 H ILE 33 9.324 2.362 4.468
255 HA ILE 33 HA ILE 33 11.471 0.344 4.934
256 HB ILE 33 HB ILE 33 11.561 0.391 2.334
257 1HG1 ILE 33 1HG1 ILE 33 8.585 0.782 2.666
258 2HG1 ILE 33 2HG1 ILE 33 9.712 1.978 1.977
259 1HG2 ILE 33 1HG2 ILE 33 11.252 -1.525 3.921
260 2HG2 ILE 33 2HG2 ILE 33 9.520 -1.185 3.951
261 3HG2 ILE 33 3HG2 ILE 33 10.309 -1.750 2.453
262 1HD1 ILE 33 1HD1 ILE 33 9.220 -0.808 0.849
263 2HD1 ILE 33 2HD1 ILE 33 8.548 0.696 0.251
264 3HD1 ILE 33 3HD1 ILE 33 10.304 0.434 0.174
265 H ASP 34 H ASP 34 11.068 3.492 5.320
266 HA ASP 34 HA ASP 34 13.593 4.220 3.981
267 1HB ASP 34 1HB ASP 34 13.354 6.385 5.160
268 2HB ASP 34 2HB ASP 34 11.969 6.045 4.141
269 H GLY 35 H GLY 35 15.402 4.885 5.484
270 1HA GLY 35 1HA GLY 35 16.869 4.421 7.147
271 2HA GLY 35 2HA GLY 35 15.554 3.812 8.168
272 H ASN 36 H ASN 36 15.762 2.337 5.001
273 HA ASN 36 HA ASN 36 17.191 -0.047 5.953
274 1HB ASN 36 1HB ASN 36 15.247 -0.863 6.744
275 2HB ASN 36 2HB ASN 36 14.268 0.395 6.047
276 1HD2 ASN 36 2HD2 ASN 36 13.313 -1.331 3.100
277 2HD2 ASN 36 1HD2 ASN 36 13.734 0.237 3.728
278 H ALA 37 H ALA 37 17.501 -1.613 4.244
279 HA ALA 37 HA ALA 37 16.596 -0.821 1.541
280 1HB ALA 37 3HB ALA 37 18.991 -0.146 1.733
281 2HB ALA 37 1HB ALA 37 19.394 -1.850 2.069
282 3HB ALA 37 2HB ALA 37 18.697 -1.394 0.508
283 H ALA 38 H ALA 38 17.350 -3.334 3.828
284 HA ALA 38 HA ALA 38 17.259 -5.556 2.049
285 1HB ALA 38 3HB ALA 38 18.197 -5.738 4.306
286 2HB ALA 38 1HB ALA 38 16.588 -5.494 5.020
287 3HB ALA 38 2HB ALA 38 16.920 -6.942 4.054
288 H LYS 39 H LYS 39 14.617 -4.415 4.246
289 HA LYS 39 HA LYS 39 12.639 -6.099 3.010
290 1HB LYS 39 1HB LYS 39 12.432 -5.346 5.300
291 2HB LYS 39 2HB LYS 39 12.387 -3.648 4.807
292 1HG LYS 39 1HG LYS 39 10.219 -3.929 3.760
293 2HG LYS 39 2HG LYS 39 10.304 -5.681 3.930
294 1HD LYS 39 1HD LYS 39 8.853 -4.932 5.666
295 2HD LYS 39 2HD LYS 39 10.375 -5.380 6.426
296 1HE LYS 39 1HE LYS 39 11.000 -2.859 6.302
297 2HE LYS 39 2HE LYS 39 9.304 -2.580 5.865
298 1HZ LYS 39 1HZ LYS 39 8.823 -3.877 8.002
299 2HZ LYS 39 2HZ LYS 39 10.396 -3.659 8.375
300 3HZ LYS 39 3HZ LYS 39 9.443 -2.362 8.205
301 H ARG 40 H ARG 40 13.756 -2.835 2.372
302 HA ARG 40 HA ARG 40 11.740 -2.034 0.478
303 1HB ARG 40 1HB ARG 40 13.328 -0.382 1.102
304 2HB ARG 40 2HB ARG 40 14.692 -1.418 0.762
305 1HG ARG 40 1HG ARG 40 14.529 0.342 -0.888
306 2HG ARG 40 2HG ARG 40 14.375 -1.244 -1.608
307 1HD ARG 40 1HD ARG 40 11.814 -0.845 -1.629
308 2HD ARG 40 2HD ARG 40 12.190 0.824 -1.178
309 HE ARG 40 HE ARG 40 13.399 -0.540 -3.561
310 1HH1 ARG 40 2HH2 ARG 40 11.738 2.343 -2.280
311 2HH1 ARG 40 1HH2 ARG 40 12.182 3.269 -3.692
312 1HH2 ARG 40 2HH1 ARG 40 13.933 0.700 -5.263
313 2HH2 ARG 40 1HH1 ARG 40 13.431 2.396 -5.345
314 H GLU 41 H GLU 41 14.812 -3.877 -0.047
315 HA GLU 41 HA GLU 41 14.164 -4.349 -2.788
316 1HB GLU 41 1HB GLU 41 16.154 -5.601 -0.888
317 2HB GLU 41 2HB GLU 41 15.966 -6.131 -2.571
318 1HG GLU 41 1HG GLU 41 16.321 -3.807 -3.364
319 2HG GLU 41 2HG GLU 41 16.579 -3.266 -1.706
320 H GLU 42 H GLU 42 13.496 -6.261 0.175
321 HA GLU 42 HA GLU 42 12.565 -8.605 -1.094
322 1HB GLU 42 1HB GLU 42 13.076 -8.369 1.309
323 2HB GLU 42 2HB GLU 42 11.658 -7.339 1.531
324 1HG GLU 42 1HG GLU 42 10.144 -9.091 1.262
325 2HG GLU 42 2HG GLU 42 11.270 -10.035 0.285
326 H MET 43 H MET 43 10.891 -5.547 -0.337
327 HA MET 43 HA MET 43 8.288 -6.306 -1.137
328 1HB MET 43 1HB MET 43 8.747 -4.220 0.105
329 2HB MET 43 2HB MET 43 9.739 -3.629 -1.208
330 1HG MET 43 1HG MET 43 7.579 -3.738 -2.670
331 2HG MET 43 2HG MET 43 6.749 -3.846 -1.130
332 1HE MET 43 2HE MET 43 8.580 -1.724 -3.780
333 2HE MET 43 3HE MET 43 9.125 -0.280 -2.909
334 3HE MET 43 1HE MET 43 9.898 -1.844 -2.594
335 H ILE 44 H ILE 44 11.081 -5.232 -3.194
336 HA ILE 44 HA ILE 44 9.533 -4.625 -5.503
337 HB ILE 44 HB ILE 44 12.300 -5.835 -5.390
338 1HG1 ILE 44 1HG1 ILE 44 12.361 -4.045 -3.838
339 2HG1 ILE 44 2HG1 ILE 44 13.352 -3.694 -5.225
340 1HG2 ILE 44 1HG2 ILE 44 11.372 -5.642 -7.672
341 2HG2 ILE 44 2HG2 ILE 44 11.031 -3.922 -7.407
342 3HG2 ILE 44 3HG2 ILE 44 12.708 -4.504 -7.464
343 1HD1 ILE 44 2HD1 ILE 44 10.542 -2.581 -5.123
344 2HD1 ILE 44 3HD1 ILE 44 11.819 -1.865 -4.142
345 3HD1 ILE 44 1HD1 ILE 44 12.028 -1.935 -5.893
346 H LYS 45 H LYS 45 11.280 -7.606 -4.511
347 HA LYS 45 HA LYS 45 10.138 -9.197 -6.628
348 1HB LYS 45 1HB LYS 45 11.828 -9.761 -4.172
349 2HB LYS 45 2HB LYS 45 11.081 -11.087 -5.075
350 1HG LYS 45 1HG LYS 45 12.084 -10.291 -7.172
351 2HG LYS 45 2HG LYS 45 12.849 -8.948 -6.304
352 1HD LYS 45 1HD LYS 45 14.348 -10.415 -5.148
353 2HD LYS 45 2HD LYS 45 13.375 -11.835 -5.550
354 1HE LYS 45 1HE LYS 45 15.334 -11.849 -6.973
355 2HE LYS 45 2HE LYS 45 13.886 -11.559 -7.945
356 1HZ LYS 45 1HZ LYS 45 14.481 -9.135 -7.790
357 2HZ LYS 45 2HZ LYS 45 15.907 -9.564 -7.132
358 3HZ LYS 45 3HZ LYS 45 15.536 -10.024 -8.660
359 H ARG 46 H ARG 46 8.804 -8.301 -3.491
360 HA ARG 46 HA ARG 46 6.811 -10.448 -3.887
361 1HB ARG 46 1HB ARG 46 6.218 -10.466 -1.814
362 2HB ARG 46 2HB ARG 46 7.868 -9.901 -1.650
363 1HG ARG 46 1HG ARG 46 6.728 -7.513 -1.647
364 2HG ARG 46 2HG ARG 46 5.257 -8.411 -1.305
365 1HD ARG 46 1HD ARG 46 7.481 -9.351 0.382
366 2HD ARG 46 2HD ARG 46 7.257 -7.619 0.538
367 HE ARG 46 HE ARG 46 4.726 -8.383 0.838
368 1HH1 ARG 46 2HH2 ARG 46 7.473 -10.177 2.223
369 2HH1 ARG 46 1HH2 ARG 46 6.874 -10.046 3.853
370 1HH2 ARG 46 2HH1 ARG 46 3.909 -8.384 2.951
371 2HH2 ARG 46 1HH1 ARG 46 4.781 -9.075 4.267
372 H SER 47 H SER 47 7.186 -7.401 -5.194
373 HA SER 47 HA SER 47 4.229 -7.001 -5.327
374 1HB SER 47 1HB SER 47 4.785 -4.639 -5.856
375 2HB SER 47 2HB SER 47 5.227 -5.120 -4.218
376 HG SER 47 HG SER 47 7.338 -5.245 -4.835
377 H GLY 48 H GLY 48 7.201 -6.475 -7.267
378 1HA GLY 48 1HA GLY 48 7.302 -7.260 -9.571
379 2HA GLY 48 2HA GLY 48 5.591 -6.885 -9.756
380 H ARG 49 H ARG 49 6.898 -4.345 -7.881
381 HA ARG 49 HA ARG 49 7.822 -2.784 -10.220
382 1HB ARG 49 1HB ARG 49 5.283 -2.307 -8.680
383 2HB ARG 49 2HB ARG 49 6.267 -0.900 -9.074
384 1HG ARG 49 1HG ARG 49 6.069 -1.327 -11.446
385 2HG ARG 49 2HG ARG 49 5.186 -2.846 -11.150
386 1HD ARG 49 1HD ARG 49 3.444 -1.628 -9.940
387 2HD ARG 49 2HD ARG 49 4.310 -0.097 -10.135
388 HE ARG 49 HE ARG 49 3.928 -0.885 -12.720
389 1HH1 ARG 49 2HH2 ARG 49 1.790 -0.455 -9.931
390 2HH1 ARG 49 1HH2 ARG 49 0.384 -0.021 -10.819
391 1HH2 ARG 49 2HH1 ARG 49 2.113 -0.071 -13.990
392 2HH2 ARG 49 1HH1 ARG 49 0.642 0.317 -13.212
393 H THR 50 H THR 50 9.119 -1.057 -9.616
394 HA THR 50 HA THR 50 10.398 -1.425 -7.064
395 HB THR 50 HB THR 50 10.912 0.033 -9.611
396 HG1 THR 50 HG1 THR 50 11.571 -2.127 -9.318
397 1HG2 THR 50 2HG2 THR 50 12.574 0.420 -7.105
398 2HG2 THR 50 3HG2 THR 50 13.059 0.898 -8.741
399 3HG2 THR 50 1HG2 THR 50 11.688 1.704 -7.967
400 H THR 51 H THR 51 8.055 0.935 -8.395
401 HA THR 51 HA THR 51 8.757 2.995 -6.610
402 HB THR 51 HB THR 51 6.362 3.780 -7.357
403 HG1 THR 51 HG1 THR 51 5.561 1.802 -8.134
404 1HG2 THR 51 1HG2 THR 51 8.506 4.617 -8.284
405 2HG2 THR 51 2HG2 THR 51 8.530 3.267 -9.438
406 3HG2 THR 51 3HG2 THR 51 7.250 4.493 -9.525
407 H VAL 52 H VAL 52 7.822 3.781 -4.773
408 HA VAL 52 HA VAL 52 5.956 2.041 -3.262
409 HB VAL 52 HB VAL 52 6.583 3.402 -1.299
410 1HG1 VAL 52 3HG1 VAL 52 7.823 1.368 -1.792
411 2HG1 VAL 52 1HG1 VAL 52 9.027 2.309 -2.710
412 3HG1 VAL 52 2HG1 VAL 52 8.817 2.593 -0.967
413 1HG2 VAL 52 2HG2 VAL 52 7.201 5.528 -2.450
414 2HG2 VAL 52 3HG2 VAL 52 8.332 4.941 -1.228
415 3HG2 VAL 52 1HG2 VAL 52 8.728 4.739 -2.942
416 HA PRO 53 HA PRO 53 4.666 2.699 -1.240
417 1HB PRO 53 1HB PRO 53 2.047 2.772 -0.643
418 2HB PRO 53 2HB PRO 53 3.145 4.125 -0.228
419 1HG PRO 53 1HG PRO 53 1.243 3.889 -2.552
420 2HG PRO 53 2HG PRO 53 1.561 5.313 -1.496
421 1HD PRO 53 1HD PRO 53 2.694 4.958 -3.979
422 2HD PRO 53 2HD PRO 53 3.424 5.932 -2.664
423 H GLN 54 H GLN 54 3.577 0.599 -0.920
424 HA GLN 54 HA GLN 54 2.405 -0.578 -3.347
425 1HB GLN 54 1HB GLN 54 4.672 -1.811 -1.722
426 2HB GLN 54 2HB GLN 54 3.725 -2.673 -2.928
427 1HG GLN 54 1HG GLN 54 5.485 -0.269 -3.543
428 2HG GLN 54 2HG GLN 54 5.996 -1.948 -3.667
429 1HE2 GLN 54 2HE2 GLN 54 5.029 -1.890 -7.053
430 2HE2 GLN 54 1HE2 GLN 54 6.333 -2.139 -5.939
431 H ILE 55 H ILE 55 0.459 -1.565 -2.747
432 HA ILE 55 HA ILE 55 0.022 -1.828 0.157
433 HB ILE 55 HB ILE 55 -1.881 -1.228 -2.155
434 1HG1 ILE 55 1HG1 ILE 55 -2.114 0.824 -0.294
435 2HG1 ILE 55 2HG1 ILE 55 -0.426 0.441 -0.135
436 1HG2 ILE 55 3HG2 ILE 55 -2.944 -2.669 -0.427
437 2HG2 ILE 55 1HG2 ILE 55 -2.485 -1.493 0.823
438 3HG2 ILE 55 2HG2 ILE 55 -3.640 -1.068 -0.451
439 1HD1 ILE 55 3HD1 ILE 55 -1.820 1.199 -2.730
440 2HD1 ILE 55 1HD1 ILE 55 -0.805 2.258 -1.738
441 3HD1 ILE 55 2HD1 ILE 55 -0.081 0.869 -2.561
442 H PHE 56 H PHE 56 -0.909 -3.738 0.829
443 HA PHE 56 HA PHE 56 -1.158 -5.937 -1.123
444 1HB PHE 56 1HB PHE 56 0.456 -5.910 1.454
445 2HB PHE 56 2HB PHE 56 -0.158 -7.392 0.737
446 HD1 PHE 56 HD1 PHE 56 2.075 -4.439 0.081
447 HD2 PHE 56 HD2 PHE 56 0.967 -8.455 -1.032
448 HE1 PHE 56 HE1 PHE 56 3.948 -4.512 -1.553
449 HE2 PHE 56 HE2 PHE 56 2.824 -8.547 -2.601
450 HZ PHE 56 HZ PHE 56 4.276 -6.531 -2.966
451 H ILE 57 H ILE 57 -2.899 -7.225 -0.644
452 HA ILE 57 HA ILE 57 -4.281 -6.792 1.955
453 HB ILE 57 HB ILE 57 -5.715 -6.700 -0.728
454 1HG1 ILE 57 1HG1 ILE 57 -5.283 -4.563 1.414
455 2HG1 ILE 57 2HG1 ILE 57 -4.571 -4.560 -0.185
456 1HG2 ILE 57 2HG2 ILE 57 -6.949 -7.913 1.116
457 2HG2 ILE 57 3HG2 ILE 57 -6.805 -6.461 2.118
458 3HG2 ILE 57 1HG2 ILE 57 -7.761 -6.438 0.617
459 1HD1 ILE 57 3HD1 ILE 57 -6.884 -4.409 -1.177
460 2HD1 ILE 57 1HD1 ILE 57 -7.499 -4.163 0.477
461 3HD1 ILE 57 2HD1 ILE 57 -6.354 -3.009 -0.219
462 H ASP 58 H ASP 58 -4.432 -8.735 2.871
463 HA ASP 58 HA ASP 58 -4.078 -10.988 3.146
464 1HB ASP 58 1HB ASP 58 -6.029 -10.958 0.863
465 2HB ASP 58 2HB ASP 58 -5.595 -12.441 1.705
466 H ALA 59 H ALA 59 -2.138 -9.813 1.887
467 HA ALA 59 HA ALA 59 -0.117 -10.140 0.977
468 1HB ALA 59 1HB ALA 59 -0.172 -12.265 2.201
469 2HB ALA 59 2HB ALA 59 -0.832 -13.077 0.761
470 3HB ALA 59 3HB ALA 59 0.790 -12.364 0.719
471 H GLN 60 H GLN 60 -2.795 -10.282 -1.038
472 HA GLN 60 HA GLN 60 -1.094 -10.716 -3.436
473 1HB GLN 60 1HB GLN 60 -2.925 -10.349 -4.816
474 2HB GLN 60 2HB GLN 60 -3.390 -11.506 -3.600
475 1HG GLN 60 1HG GLN 60 -4.245 -8.924 -2.648
476 2HG GLN 60 2HG GLN 60 -4.608 -8.975 -4.355
477 1HE2 GLN 60 2HE2 GLN 60 -6.797 -11.284 -1.755
478 2HE2 GLN 60 1HE2 GLN 60 -5.388 -10.349 -1.204
479 H HIS 61 H HIS 61 -0.294 -9.054 -4.678
480 HA HIS 61 HA HIS 61 -0.056 -6.464 -3.316
481 1HB HIS 61 1HB HIS 61 1.895 -7.565 -4.505
482 2HB HIS 61 2HB HIS 61 0.981 -7.544 -5.997
483 HD1 HIS 61 HD1 HIS 61 2.151 -5.848 -7.505
484 HD2 HIS 61 HD2 HIS 61 1.571 -4.587 -3.495
485 HE1 HIS 61 HE1 HIS 61 2.900 -3.394 -7.370
486 HE2 HIS 61 HE2 HIS 61 2.429 -2.577 -5.033
487 H ILE 62 H ILE 62 -1.075 -4.546 -4.040
488 HA ILE 62 HA ILE 62 -3.307 -4.880 -5.884
489 HB ILE 62 HB ILE 62 -2.275 -2.313 -4.618
490 1HG1 ILE 62 1HG1 ILE 62 -2.649 -3.728 -2.782
491 2HG1 ILE 62 2HG1 ILE 62 -4.046 -2.711 -2.890
492 1HG2 ILE 62 2HG2 ILE 62 -4.989 -3.064 -5.789
493 2HG2 ILE 62 3HG2 ILE 62 -4.641 -1.582 -4.879
494 3HG2 ILE 62 1HG2 ILE 62 -3.845 -1.874 -6.429
495 1HD1 ILE 62 2HD1 ILE 62 -5.355 -4.539 -3.987
496 2HD1 ILE 62 3HD1 ILE 62 -3.960 -5.626 -3.785
497 3HD1 ILE 62 1HD1 ILE 62 -4.774 -4.969 -2.375
498 H GLY 63 H GLY 63 -0.421 -2.675 -5.975
499 1HA GLY 63 1HA GLY 63 0.638 -3.271 -8.418
500 2HA GLY 63 2HA GLY 63 -0.791 -2.363 -8.882
501 H GLY 64 H GLY 64 -1.063 -0.364 -7.204
502 1HA GLY 64 1HA GLY 64 1.371 1.106 -6.570
503 2HA GLY 64 2HA GLY 64 0.425 1.708 -7.948
504 H TYR 65 H TYR 65 0.158 3.596 -6.485
505 HA TYR 65 HA TYR 65 -1.882 3.444 -4.316
506 1HB TYR 65 1HB TYR 65 0.048 5.055 -3.959
507 2HB TYR 65 2HB TYR 65 -0.240 5.681 -5.560
508 HD1 TYR 65 HD2 TYR 65 -2.968 4.935 -3.092
509 HD2 TYR 65 HD1 TYR 65 -0.537 7.961 -4.999
510 HE1 TYR 65 HE2 TYR 65 -4.466 6.661 -2.271
511 HE2 TYR 65 HE1 TYR 65 -2.060 9.697 -4.201
512 HH TYR 65 HH TYR 65 -4.102 10.115 -3.149
513 H ASP 66 H ASP 66 -1.360 5.007 -7.541
514 HA ASP 66 HA ASP 66 -4.052 6.022 -7.780
515 1HB ASP 66 1HB ASP 66 -1.726 5.543 -9.643
516 2HB ASP 66 2HB ASP 66 -3.324 5.656 -10.352
517 H ASP 67 H ASP 67 -2.550 2.930 -8.274
518 HA ASP 67 HA ASP 67 -4.769 1.574 -9.547
519 1HB ASP 67 1HB ASP 67 -2.468 0.540 -7.876
520 2HB ASP 67 2HB ASP 67 -3.662 -0.498 -8.632
521 H LEU 68 H LEU 68 -3.771 1.931 -6.015
522 HA LEU 68 HA LEU 68 -5.858 0.231 -5.091
523 1HB LEU 68 1HB LEU 68 -3.868 0.759 -3.706
524 2HB LEU 68 2HB LEU 68 -4.348 2.460 -3.660
525 HG LEU 68 HG LEU 68 -6.538 1.743 -2.525
526 1HD1 LEU 68 1HD1 LEU 68 -5.059 -0.911 -2.474
527 2HD1 LEU 68 2HD1 LEU 68 -6.395 -0.541 -1.396
528 3HD1 LEU 68 3HD1 LEU 68 -6.680 -0.602 -3.139
529 1HD2 LEU 68 2HD2 LEU 68 -4.576 2.623 -1.283
530 2HD2 LEU 68 3HD2 LEU 68 -5.661 1.549 -0.375
531 3HD2 LEU 68 1HD2 LEU 68 -4.108 0.947 -0.981
532 H TYR 69 H TYR 69 -5.605 3.765 -5.370
533 HA TYR 69 HA TYR 69 -8.088 4.458 -4.165
534 1HB TYR 69 1HB TYR 69 -6.376 6.114 -4.929
535 2HB TYR 69 2HB TYR 69 -6.739 5.751 -6.600
536 HD1 TYR 69 HD2 TYR 69 -8.798 6.563 -3.531
537 HD2 TYR 69 HD1 TYR 69 -8.087 7.326 -7.695
538 HE1 TYR 69 HE2 TYR 69 -10.544 8.329 -3.487
539 HE2 TYR 69 HE1 TYR 69 -9.793 9.102 -7.675
540 HH TYR 69 HH TYR 69 -11.780 9.855 -4.794
541 H ALA 70 H ALA 70 -7.465 3.697 -7.624
542 HA ALA 70 HA ALA 70 -10.255 3.944 -8.367
543 1HB ALA 70 1HB ALA 70 -8.412 4.099 -10.013
544 2HB ALA 70 2HB ALA 70 -8.019 2.387 -9.706
545 3HB ALA 70 3HB ALA 70 -9.575 2.829 -10.443
546 H LEU 71 H LEU 71 -8.214 1.260 -7.258
547 HA LEU 71 HA LEU 71 -10.158 -0.822 -7.660
548 1HB LEU 71 1HB LEU 71 -7.608 -1.006 -7.117
549 2HB LEU 71 2HB LEU 71 -8.107 -0.908 -5.442
550 HG LEU 71 HG LEU 71 -7.752 -3.163 -6.112
551 1HD1 LEU 71 1HD1 LEU 71 -9.504 -2.813 -4.509
552 2HD1 LEU 71 2HD1 LEU 71 -10.667 -3.001 -5.859
553 3HD1 LEU 71 3HD1 LEU 71 -9.601 -4.339 -5.410
554 1HD2 LEU 71 2HD2 LEU 71 -8.190 -2.939 -8.563
555 2HD2 LEU 71 3HD2 LEU 71 -8.928 -4.370 -7.839
556 3HD2 LEU 71 1HD2 LEU 71 -9.933 -2.959 -8.216
557 H ASP 72 H ASP 72 -9.541 1.452 -4.925
558 HA ASP 72 HA ASP 72 -11.659 0.370 -3.271
559 1HB ASP 72 1HB ASP 72 -9.964 1.903 -2.336
560 2HB ASP 72 2HB ASP 72 -10.544 3.204 -3.374
561 H ALA 73 H ALA 73 -11.494 3.109 -5.496
562 HA ALA 73 HA ALA 73 -14.103 3.925 -5.116
563 1HB ALA 73 1HB ALA 73 -12.329 5.326 -6.080
564 2HB ALA 73 2HB ALA 73 -12.346 4.334 -7.562
565 3HB ALA 73 3HB ALA 73 -13.762 5.303 -7.125
566 H ARG 74 H ARG 74 -13.020 1.501 -7.373
567 HA ARG 74 HA ARG 74 -15.617 1.116 -8.641
568 1HB ARG 74 1HB ARG 74 -14.608 -0.631 -9.775
569 2HB ARG 74 2HB ARG 74 -13.318 0.528 -9.568
570 1HG ARG 74 1HG ARG 74 -12.034 -1.011 -8.622
571 2HG ARG 74 2HG ARG 74 -13.164 -1.267 -7.324
572 1HD ARG 74 1HD ARG 74 -13.493 -2.648 -9.999
573 2HD ARG 74 2HD ARG 74 -12.418 -3.250 -8.735
574 HE ARG 74 HE ARG 74 -15.325 -2.792 -8.238
575 1HH1 ARG 74 2HH2 ARG 74 -12.629 -5.103 -8.429
576 2HH1 ARG 74 1HH2 ARG 74 -13.458 -6.376 -7.635
577 1HH2 ARG 74 2HH1 ARG 74 -16.488 -4.579 -7.307
578 2HH2 ARG 74 1HH1 ARG 74 -15.621 -5.990 -6.785
579 H GLY 75 H GLY 75 -14.492 0.435 -5.567
580 1HA GLY 75 1HA GLY 75 -15.464 -0.650 -3.799
581 2HA GLY 75 2HA GLY 75 -16.787 -1.168 -4.851
582 H GLY 76 H GLY 76 -13.105 -1.810 -5.193
583 1HA GLY 76 1HA GLY 76 -13.785 -4.669 -4.832
584 2HA GLY 76 2HA GLY 76 -12.431 -4.033 -5.741
585 H LEU 77 H LEU 77 -11.806 -1.871 -3.670
586 HA LEU 77 HA LEU 77 -10.283 -3.518 -1.815
587 1HB LEU 77 1HB LEU 77 -9.700 -1.127 -2.606
588 2HB LEU 77 2HB LEU 77 -10.928 -0.548 -1.497
589 HG LEU 77 HG LEU 77 -8.288 -1.819 -0.867
590 1HD1 LEU 77 1HD1 LEU 77 -8.456 0.628 -1.274
591 2HD1 LEU 77 2HD1 LEU 77 -9.656 0.760 0.024
592 3HD1 LEU 77 3HD1 LEU 77 -7.987 0.280 0.396
593 1HD2 LEU 77 1HD2 LEU 77 -10.516 -1.383 1.160
594 2HD2 LEU 77 2HD2 LEU 77 -9.672 -2.909 0.788
595 3HD2 LEU 77 3HD2 LEU 77 -8.804 -1.603 1.573
596 H ASP 78 H ASP 78 -13.095 -1.319 -1.534
597 HA ASP 78 HA ASP 78 -13.639 -1.581 1.094
598 1HB ASP 78 1HB ASP 78 -15.088 -0.053 0.423
599 2HB ASP 78 2HB ASP 78 -14.962 -0.570 -1.240
600 HA PRO 79 HA PRO 79 -16.296 -5.468 0.870
601 1HB PRO 79 1HB PRO 79 -15.565 -6.858 -1.656
602 2HB PRO 79 2HB PRO 79 -17.183 -6.609 -0.928
603 1HG PRO 79 1HG PRO 79 -16.371 -5.266 -3.153
604 2HG PRO 79 2HG PRO 79 -17.364 -4.450 -1.899
605 1HD PRO 79 1HD PRO 79 -14.383 -4.345 -2.242
606 2HD PRO 79 2HD PRO 79 -15.519 -2.996 -2.012
607 H LEU 80 H LEU 80 -13.057 -5.440 -0.657
608 HA LEU 80 HA LEU 80 -12.473 -8.206 0.166
609 1HB LEU 80 1HB LEU 80 -10.802 -6.131 -1.262
610 2HB LEU 80 2HB LEU 80 -10.160 -7.673 -0.747
611 HG LEU 80 HG LEU 80 -12.543 -7.420 -2.631
612 1HD1 LEU 80 1HD1 LEU 80 -10.349 -6.605 -3.607
613 2HD1 LEU 80 2HD1 LEU 80 -9.681 -8.214 -3.291
614 3HD1 LEU 80 3HD1 LEU 80 -11.032 -8.018 -4.424
615 1HD2 LEU 80 1HD2 LEU 80 -10.881 -9.836 -1.797
616 2HD2 LEU 80 2HD2 LEU 80 -12.613 -9.573 -1.495
617 3HD2 LEU 80 3HD2 LEU 80 -12.044 -9.815 -3.135
618 H LEU 81 H LEU 81 -12.257 -5.122 1.593
619 HA LEU 81 HA LEU 81 -10.281 -5.641 3.600
620 1HB LEU 81 1HB LEU 81 -11.154 -3.436 3.022
621 2HB LEU 81 2HB LEU 81 -12.780 -3.894 3.476
622 HG LEU 81 HG LEU 81 -11.505 -2.360 4.987
623 1HD1 LEU 81 2HD1 LEU 81 -13.578 -3.371 5.692
624 2HD1 LEU 81 3HD1 LEU 81 -12.724 -4.773 6.354
625 3HD1 LEU 81 1HD1 LEU 81 -12.450 -3.168 7.039
626 1HD2 LEU 81 1HD2 LEU 81 -9.353 -3.445 5.042
627 2HD2 LEU 81 2HD2 LEU 81 -9.999 -3.322 6.685
628 3HD2 LEU 81 3HD2 LEU 81 -10.013 -4.872 5.843
629 H LYS 82 H LYS 82 -13.654 -6.686 3.164
630 HA LYS 82 HA LYS 82 -13.849 -7.644 5.948
631 1HB LYS 82 1HB LYS 82 -15.674 -6.391 4.316
632 2HB LYS 82 2HB LYS 82 -16.065 -8.059 3.948
633 1HG LYS 82 1HG LYS 82 -16.025 -6.732 6.693
634 2HG LYS 82 2HG LYS 82 -17.463 -7.114 5.754
635 1HD LYS 82 1HD LYS 82 -15.509 -9.143 6.917
636 2HD LYS 82 2HD LYS 82 -17.057 -8.707 7.613
637 1HE LYS 82 1HE LYS 82 -16.748 -9.958 4.845
638 2HE LYS 82 2HE LYS 82 -17.042 -10.865 6.330
639 1HZ LYS 82 2HZ LYS 82 -19.095 -9.473 6.600
640 2HZ LYS 82 3HZ LYS 82 -18.895 -8.928 5.067
641 3HZ LYS 82 1HZ LYS 82 -19.128 -10.510 5.341
642 1HB2 GTT 83 1HB2 GTT 83 8.594 7.034 -3.553
643 2HB2 GTT 83 2HB2 GTT 83 9.927 8.129 -3.876
644 HA2 GTT 83 HA2 GTT 83 9.441 8.162 -6.239
645 HN2 GTT 83 HN2 GTT 83 6.832 7.044 -5.395
646 1HG1 GTT 83 1HG1 GTT 83 5.120 7.380 -6.763
647 2HG1 GTT 83 2HG1 GTT 83 5.459 6.419 -8.207
648 1HB1 GTT 83 1HB1 GTT 83 5.871 8.468 -9.507
649 2HB1 GTT 83 2HB1 GTT 83 5.712 9.450 -8.053
650 HA1 GTT 83 HA1 GTT 83 3.336 8.822 -7.860
651 1HN1 GTT 83 1HN1 GTT 83 3.785 7.479 -10.429
652 2HN1 GTT 83 2HN1 GTT 83 3.191 6.796 -9.055
653 3HN1 GTT 83 3HN1 GTT 83 2.310 7.927 -9.894
654 HN3 GTT 83 HN3 GTT 83 11.355 6.742 -6.351
655 1HA3 GTT 83 1HA3 GTT 83 10.948 3.858 -5.753
656 2HA3 GTT 83 2HA3 GTT 83 11.341 4.353 -7.410
No H/Q in entry = 656
Start of MODEL 14
1 1H ALA 1 3H ALA 1 -7.668 -9.847 7.301
2 2H ALA 1 1H ALA 1 -8.545 -8.849 8.277
3 3H ALA 1 2H ALA 1 -9.241 -9.518 6.942
4 HA ALA 1 HA ALA 1 -7.824 -8.322 5.501
5 1HB ALA 1 1HB ALA 1 -9.959 -7.316 6.060
6 2HB ALA 1 2HB ALA 1 -9.266 -6.546 7.505
7 3HB ALA 1 3HB ALA 1 -8.714 -6.064 5.885
8 H ASN 2 H ASN 2 -5.651 -8.569 5.701
9 HA ASN 2 HA ASN 2 -4.151 -7.008 7.744
10 1HB ASN 2 1HB ASN 2 -3.855 -9.520 7.705
11 2HB ASN 2 2HB ASN 2 -3.161 -9.371 6.094
12 1HD2 ASN 2 2HD2 ASN 2 -0.138 -7.752 7.372
13 2HD2 ASN 2 1HD2 ASN 2 -1.237 -7.726 5.970
14 H VAL 3 H VAL 3 -4.937 -5.313 6.262
15 HA VAL 3 HA VAL 3 -3.807 -4.990 3.621
16 HB VAL 3 HB VAL 3 -4.978 -2.926 5.552
17 1HG1 VAL 3 2HG1 VAL 3 -4.281 -2.727 2.590
18 2HG1 VAL 3 3HG1 VAL 3 -5.342 -1.590 3.443
19 3HG1 VAL 3 1HG1 VAL 3 -3.646 -1.744 3.918
20 1HG2 VAL 3 1HG2 VAL 3 -6.247 -4.522 3.296
21 2HG2 VAL 3 2HG2 VAL 3 -6.670 -4.569 5.015
22 3HG2 VAL 3 3HG2 VAL 3 -7.003 -3.118 4.062
23 H GLU 4 H GLU 4 -1.634 -4.826 3.317
24 HA GLU 4 HA GLU 4 0.036 -3.422 5.331
25 1HB GLU 4 1HB GLU 4 0.689 -5.160 2.901
26 2HB GLU 4 2HB GLU 4 1.904 -4.475 3.960
27 1HG GLU 4 1HG GLU 4 1.252 -5.889 5.786
28 2HG GLU 4 2HG GLU 4 -0.240 -6.378 4.978
29 H ILE 5 H ILE 5 1.241 -1.536 4.525
30 HA ILE 5 HA ILE 5 1.010 -0.771 1.673
31 HB ILE 5 HB ILE 5 -0.875 0.344 2.300
32 1HG1 ILE 5 1HG1 ILE 5 1.228 2.438 2.945
33 2HG1 ILE 5 2HG1 ILE 5 0.973 1.812 1.316
34 1HG2 ILE 5 3HG2 ILE 5 -0.823 -0.070 4.751
35 2HG2 ILE 5 1HG2 ILE 5 0.321 1.268 4.933
36 3HG2 ILE 5 2HG2 ILE 5 -1.324 1.562 4.348
37 1HD1 ILE 5 3HD1 ILE 5 -1.122 3.282 2.967
38 2HD1 ILE 5 1HD1 ILE 5 -0.103 3.976 1.718
39 3HD1 ILE 5 2HD1 ILE 5 -1.289 2.718 1.287
40 H TYR 6 H TYR 6 3.007 -0.630 1.071
41 HA TYR 6 HA TYR 6 5.177 0.056 2.894
42 1HB TYR 6 1HB TYR 6 4.896 -0.771 -0.001
43 2HB TYR 6 2HB TYR 6 6.376 -0.018 0.558
44 HD1 TYR 6 HD2 TYR 6 4.147 -2.994 1.181
45 HD2 TYR 6 HD1 TYR 6 7.935 -1.102 1.927
46 HE1 TYR 6 HE2 TYR 6 5.026 -5.123 2.075
47 HE2 TYR 6 HE1 TYR 6 8.827 -3.216 2.801
48 HH TYR 6 HH TYR 6 6.945 -6.223 3.151
49 H THR 7 H THR 7 6.257 2.026 3.037
50 HA THR 7 HA THR 7 5.604 4.199 1.157
51 HB THR 7 HB THR 7 5.034 5.727 2.976
52 HG1 THR 7 HG1 THR 7 4.506 4.746 5.016
53 1HG2 THR 7 1HG2 THR 7 3.182 4.431 1.865
54 2HG2 THR 7 2HG2 THR 7 3.279 3.256 3.198
55 3HG2 THR 7 3HG2 THR 7 2.814 4.917 3.520
56 H LYS 8 H LYS 8 7.049 6.251 1.933
57 HA LYS 8 HA LYS 8 9.568 5.402 3.183
58 1HB LYS 8 1HB LYS 8 9.986 4.965 0.835
59 2HB LYS 8 2HB LYS 8 9.503 6.617 0.377
60 1HG LYS 8 1HG LYS 8 11.423 7.498 1.713
61 2HG LYS 8 2HG LYS 8 11.847 5.828 2.131
62 1HD LYS 8 1HD LYS 8 13.188 5.819 0.335
63 2HD LYS 8 2HD LYS 8 11.718 5.703 -0.622
64 1HE LYS 8 1HE LYS 8 12.623 7.494 -1.670
65 2HE LYS 8 2HE LYS 8 11.764 8.377 -0.414
66 1HZ LYS 8 2HZ LYS 8 14.649 7.640 -0.339
67 2HZ LYS 8 3HZ LYS 8 14.047 9.083 -0.715
68 3HZ LYS 8 1HZ LYS 8 13.852 8.536 0.810
69 H GLU 9 H GLU 9 10.315 7.221 4.340
70 HA GLU 9 HA GLU 9 8.394 9.351 4.702
71 1HB GLU 9 1HB GLU 9 9.464 8.324 6.640
72 2HB GLU 9 2HB GLU 9 11.024 9.018 6.168
73 1HG GLU 9 1HG GLU 9 10.200 11.280 6.433
74 2HG GLU 9 2HG GLU 9 8.519 10.750 6.420
75 H THR 10 H THR 10 8.447 10.292 2.687
76 HA THR 10 HA THR 10 9.347 12.830 2.643
77 HB THR 10 HB THR 10 11.688 12.271 2.370
78 HG1 THR 10 HG1 THR 10 11.265 13.991 1.170
79 1HG2 THR 10 1HG2 THR 10 11.446 9.958 1.402
80 2HG2 THR 10 2HG2 THR 10 10.985 10.695 -0.148
81 3HG2 THR 10 3HG2 THR 10 12.585 10.992 0.543
82 H CYS 11 H CYS 11 8.942 9.957 0.629
83 HA CYS 11 HA CYS 11 8.124 11.204 -1.709
84 1HB CYS 11 1HB CYS 11 8.896 8.875 -1.481
85 2HB CYS 11 2HB CYS 11 7.401 8.448 -0.660
86 HA PRO 12 HA PRO 12 4.182 12.499 0.027
87 1HB PRO 12 1HB PRO 12 3.260 14.117 -1.949
88 2HB PRO 12 2HB PRO 12 4.539 14.605 -0.787
89 1HG PRO 12 1HG PRO 12 4.843 13.589 -3.607
90 2HG PRO 12 2HG PRO 12 5.715 14.938 -2.829
91 1HD PRO 12 1HD PRO 12 6.792 12.425 -3.085
92 2HD PRO 12 2HD PRO 12 7.146 13.478 -1.686
93 H TYR 13 H TYR 13 4.454 11.166 -3.304
94 HA TYR 13 HA TYR 13 1.825 10.280 -3.690
95 1HB TYR 13 1HB TYR 13 4.006 10.109 -5.163
96 2HB TYR 13 2HB TYR 13 4.307 8.603 -4.322
97 HD1 TYR 13 HD2 TYR 13 1.483 10.388 -6.026
98 HD2 TYR 13 HD1 TYR 13 3.655 6.700 -5.599
99 HE1 TYR 13 HE2 TYR 13 -0.021 9.344 -7.656
100 HE2 TYR 13 HE1 TYR 13 2.091 5.599 -7.192
101 HH TYR 13 HH TYR 13 -0.610 7.433 -8.703
102 H SER 14 H SER 14 4.433 8.747 -1.830
103 HA SER 14 HA SER 14 2.952 6.562 -0.832
104 1HB SER 14 1HB SER 14 4.927 6.037 -0.255
105 2HB SER 14 2HB SER 14 5.579 7.518 -0.852
106 HG SER 14 HG SER 14 5.883 8.178 1.126
107 H HIS 15 H HIS 15 3.481 9.787 0.482
108 HA HIS 15 HA HIS 15 1.891 9.231 2.818
109 1HB HIS 15 1HB HIS 15 2.923 11.839 1.722
110 2HB HIS 15 2HB HIS 15 1.790 11.799 3.062
111 HD1 HIS 15 HD1 HIS 15 3.013 11.782 5.397
112 HD2 HIS 15 HD2 HIS 15 4.952 9.551 2.369
113 HE1 HIS 15 HE1 HIS 15 4.974 10.657 6.478
114 HE2 HIS 15 HE2 HIS 15 6.039 9.131 4.714
115 H ARG 16 H ARG 16 0.930 10.522 -0.320
116 HA ARG 16 HA ARG 16 -1.787 11.087 0.113
117 1HB ARG 16 1HB ARG 16 0.013 10.429 -2.118
118 2HB ARG 16 2HB ARG 16 -1.562 9.751 -2.380
119 1HG ARG 16 1HG ARG 16 -2.600 11.918 -2.198
120 2HG ARG 16 2HG ARG 16 -1.105 12.654 -1.590
121 1HD ARG 16 1HD ARG 16 -0.106 12.730 -3.678
122 2HD ARG 16 2HD ARG 16 -0.940 11.286 -4.254
123 HE ARG 16 HE ARG 16 -2.379 12.626 -5.313
124 1HH1 ARG 16 2HH2 ARG 16 -1.269 14.571 -2.543
125 2HH1 ARG 16 1HH2 ARG 16 -2.572 15.694 -2.639
126 1HH2 ARG 16 2HH1 ARG 16 -3.898 14.230 -5.620
127 2HH2 ARG 16 1HH1 ARG 16 -4.041 15.582 -4.530
128 H ALA 17 H ALA 17 -0.371 7.857 -0.645
129 HA ALA 17 HA ALA 17 -2.855 6.595 -0.689
130 1HB ALA 17 2HB ALA 17 -0.164 5.436 0.076
131 2HB ALA 17 3HB ALA 17 -1.621 4.470 -0.300
132 3HB ALA 17 1HB ALA 17 -0.898 5.500 -1.540
133 H LYS 18 H LYS 18 -1.240 7.572 2.222
134 HA LYS 18 HA LYS 18 -2.954 5.840 3.868
135 1HB LYS 18 1HB LYS 18 -1.452 8.270 4.885
136 2HB LYS 18 2HB LYS 18 -2.145 6.936 5.804
137 1HG LYS 18 1HG LYS 18 -0.102 6.007 5.740
138 2HG LYS 18 2HG LYS 18 -0.522 5.530 4.098
139 1HD LYS 18 1HD LYS 18 1.565 6.617 3.825
140 2HD LYS 18 2HD LYS 18 0.377 7.761 3.309
141 1HE LYS 18 1HE LYS 18 2.116 8.844 4.725
142 2HE LYS 18 2HE LYS 18 0.525 8.984 5.478
143 1HZ LYS 18 3HZ LYS 18 2.429 6.848 6.224
144 2HZ LYS 18 1HZ LYS 18 2.479 8.316 6.923
145 3HZ LYS 18 2HZ LYS 18 1.148 7.364 7.080
146 H ALA 19 H ALA 19 -3.264 9.115 2.487
147 HA ALA 19 HA ALA 19 -5.471 9.835 4.258
148 1HB ALA 19 1HB ALA 19 -4.192 11.552 2.939
149 2HB ALA 19 2HB ALA 19 -4.786 10.816 1.430
150 3HB ALA 19 3HB ALA 19 -5.925 11.563 2.558
151 H LEU 20 H LEU 20 -5.125 8.030 1.252
152 HA LEU 20 HA LEU 20 -7.984 7.784 0.797
153 1HB LEU 20 1HB LEU 20 -6.395 7.467 -0.939
154 2HB LEU 20 2HB LEU 20 -5.598 6.131 -0.134
155 HG LEU 20 HG LEU 20 -7.076 5.684 -2.152
156 1HD1 LEU 20 1HD1 LEU 20 -6.244 3.901 -0.671
157 2HD1 LEU 20 2HD1 LEU 20 -7.755 3.986 0.266
158 3HD1 LEU 20 3HD1 LEU 20 -7.795 3.532 -1.443
159 1HD2 LEU 20 3HD2 LEU 20 -9.030 7.035 -1.429
160 2HD2 LEU 20 1HD2 LEU 20 -9.435 5.360 -1.854
161 3HD2 LEU 20 2HD2 LEU 20 -9.351 5.836 -0.152
162 H LEU 21 H LEU 21 -5.620 5.474 2.168
163 HA LEU 21 HA LEU 21 -7.645 3.625 2.995
164 1HB LEU 21 1HB LEU 21 -4.729 4.030 3.612
165 2HB LEU 21 2HB LEU 21 -5.637 2.885 4.596
166 HG LEU 21 HG LEU 21 -6.012 2.724 1.606
167 1HD1 LEU 21 2HD1 LEU 21 -3.522 1.789 3.039
168 2HD1 LEU 21 3HD1 LEU 21 -4.037 1.232 1.424
169 3HD1 LEU 21 1HD1 LEU 21 -3.663 2.944 1.689
170 1HD2 LEU 21 1HD2 LEU 21 -5.823 0.638 3.817
171 2HD2 LEU 21 2HD2 LEU 21 -7.322 1.272 3.108
172 3HD2 LEU 21 3HD2 LEU 21 -6.215 0.320 2.109
173 H SER 22 H SER 22 -6.207 6.367 4.800
174 HA SER 22 HA SER 22 -7.674 5.700 7.200
175 1HB SER 22 1HB SER 22 -5.470 7.050 6.972
176 2HB SER 22 2HB SER 22 -6.532 8.433 6.606
177 HG SER 22 HG SER 22 -6.207 8.323 8.818
178 H SER 23 H SER 23 -8.418 7.621 4.228
179 HA SER 23 HA SER 23 -10.750 8.840 5.181
180 1HB SER 23 1HB SER 23 -9.797 8.998 2.811
181 2HB SER 23 2HB SER 23 -10.614 7.467 2.465
182 HG SER 23 HG SER 23 -12.606 8.530 3.009
183 H LYS 24 H LYS 24 -10.229 5.393 4.260
184 HA LYS 24 HA LYS 24 -12.990 4.663 4.993
185 1HB LYS 24 1HB LYS 24 -10.474 2.995 4.528
186 2HB LYS 24 2HB LYS 24 -11.986 2.321 5.097
187 1HG LYS 24 1HG LYS 24 -11.928 1.826 2.861
188 2HG LYS 24 2HG LYS 24 -13.112 3.114 2.991
189 1HD LYS 24 1HD LYS 24 -10.256 3.876 2.345
190 2HD LYS 24 2HD LYS 24 -11.124 2.988 1.114
191 1HE LYS 24 1HE LYS 24 -12.152 5.570 2.359
192 2HE LYS 24 2HE LYS 24 -11.236 5.461 0.847
193 1HZ LYS 24 1HZ LYS 24 -13.015 4.017 -0.014
194 2HZ LYS 24 2HZ LYS 24 -13.923 4.332 1.338
195 3HZ LYS 24 3HZ LYS 24 -13.512 5.538 0.326
196 H GLY 25 H GLY 25 -9.755 4.474 6.463
197 1HA GLY 25 1HA GLY 25 -9.141 4.396 8.731
198 2HA GLY 25 2HA GLY 25 -10.850 4.419 9.204
199 H VAL 26 H VAL 26 -8.370 2.447 7.589
200 HA VAL 26 HA VAL 26 -9.657 -0.063 8.575
201 HB VAL 26 HB VAL 26 -7.488 0.248 6.488
202 1HG1 VAL 26 2HG1 VAL 26 -9.184 -2.169 7.163
203 2HG1 VAL 26 3HG1 VAL 26 -8.018 -2.048 5.827
204 3HG1 VAL 26 1HG1 VAL 26 -7.444 -1.961 7.470
205 1HG2 VAL 26 2HG2 VAL 26 -10.478 -0.151 6.011
206 2HG2 VAL 26 3HG2 VAL 26 -9.496 1.247 5.514
207 3HG2 VAL 26 1HG2 VAL 26 -9.227 -0.320 4.757
208 H SER 27 H SER 27 -8.201 -1.469 9.669
209 HA SER 27 HA SER 27 -5.839 -0.248 10.978
210 1HB SER 27 1HB SER 27 -7.174 -2.974 11.279
211 2HB SER 27 2HB SER 27 -5.727 -2.443 12.167
212 HG SER 27 HG SER 27 -7.705 -2.071 13.299
213 H PHE 28 H PHE 28 -4.877 0.146 8.906
214 HA PHE 28 HA PHE 28 -3.718 -2.114 7.400
215 1HB PHE 28 1HB PHE 28 -2.535 -0.326 6.184
216 2HB PHE 28 2HB PHE 28 -4.271 -0.152 6.146
217 HD1 PHE 28 HD2 PHE 28 -1.149 1.223 7.723
218 HD2 PHE 28 HD1 PHE 28 -5.358 1.828 6.965
219 HE1 PHE 28 HE2 PHE 28 -0.960 3.569 8.475
220 HE2 PHE 28 HE1 PHE 28 -5.158 4.171 7.742
221 HZ PHE 28 HZ PHE 28 -2.951 5.056 8.487
222 H GLN 29 H GLN 29 -1.261 -1.972 7.122
223 HA GLN 29 HA GLN 29 0.189 -1.391 9.608
224 1HB GLN 29 1HB GLN 29 -0.304 -3.944 9.162
225 2HB GLN 29 2HB GLN 29 0.799 -3.795 7.815
226 1HG GLN 29 1HG GLN 29 2.012 -4.625 9.738
227 2HG GLN 29 2HG GLN 29 2.586 -2.994 9.384
228 1HE2 GLN 29 2HE2 GLN 29 1.631 -1.782 12.604
229 2HE2 GLN 29 1HE2 GLN 29 2.694 -1.612 11.207
230 H GLU 30 H GLU 30 1.272 0.383 8.876
231 HA GLU 30 HA GLU 30 2.037 0.571 6.066
232 1HB GLU 30 1HB GLU 30 1.483 2.456 7.898
233 2HB GLU 30 2HB GLU 30 3.257 2.377 8.086
234 1HG GLU 30 1HG GLU 30 3.526 2.808 5.687
235 2HG GLU 30 2HG GLU 30 1.770 2.838 5.464
236 H LEU 31 H LEU 31 4.162 0.353 5.276
237 HA LEU 31 HA LEU 31 6.232 -0.791 7.101
238 1HB LEU 31 1HB LEU 31 5.620 -1.543 4.221
239 2HB LEU 31 2HB LEU 31 7.066 -1.993 5.091
240 HG LEU 31 HG LEU 31 5.718 -3.843 5.022
241 1HD1 LEU 31 2HD1 LEU 31 6.767 -3.378 7.251
242 2HD1 LEU 31 3HD1 LEU 31 5.186 -2.783 7.817
243 3HD1 LEU 31 1HD1 LEU 31 5.376 -4.470 7.313
244 1HD2 LEU 31 3HD2 LEU 31 3.554 -2.768 4.501
245 2HD2 LEU 31 1HD2 LEU 31 3.450 -4.100 5.677
246 3HD2 LEU 31 2HD2 LEU 31 3.363 -2.433 6.240
247 HA PRO 32 HA PRO 32 8.165 2.991 5.254
248 1HB PRO 32 1HB PRO 32 10.132 2.656 7.380
249 2HB PRO 32 2HB PRO 32 9.076 4.047 7.050
250 1HG PRO 32 1HG PRO 32 8.801 2.303 9.225
251 2HG PRO 32 2HG PRO 32 7.493 3.337 8.566
252 1HD PRO 32 1HD PRO 32 7.975 0.409 8.203
253 2HD PRO 32 2HD PRO 32 6.432 1.317 8.233
254 H ILE 33 H ILE 33 9.612 2.704 3.727
255 HA ILE 33 HA ILE 33 11.864 0.823 4.046
256 HB ILE 33 HB ILE 33 11.703 0.521 1.515
257 1HG1 ILE 33 1HG1 ILE 33 8.742 0.978 1.964
258 2HG1 ILE 33 2HG1 ILE 33 9.803 2.150 1.172
259 1HG2 ILE 33 3HG2 ILE 33 11.510 -1.180 3.216
260 2HG2 ILE 33 1HG2 ILE 33 9.790 -0.808 3.474
261 3HG2 ILE 33 2HG2 ILE 33 10.329 -1.533 1.956
262 1HD1 ILE 33 1HD1 ILE 33 9.770 -0.674 0.090
263 2HD1 ILE 33 2HD1 ILE 33 8.437 0.410 -0.240
264 3HD1 ILE 33 3HD1 ILE 33 10.062 0.874 -0.729
265 H ASP 34 H ASP 34 12.223 2.906 4.991
266 HA ASP 34 HA ASP 34 13.762 4.565 3.095
267 1HB ASP 34 1HB ASP 34 11.753 5.614 4.470
268 2HB ASP 34 2HB ASP 34 12.875 5.574 5.827
269 H GLY 35 H GLY 35 15.935 4.233 3.372
270 1HA GLY 35 1HA GLY 35 17.952 3.858 4.309
271 2HA GLY 35 2HA GLY 35 17.217 3.994 5.905
272 H ASN 36 H ASN 36 15.372 1.788 5.596
273 HA ASN 36 HA ASN 36 17.184 -0.487 5.971
274 1HB ASN 36 1HB ASN 36 15.651 -1.140 7.404
275 2HB ASN 36 2HB ASN 36 14.642 0.236 7.031
276 1HD2 ASN 36 2HD2 ASN 36 12.517 -1.512 4.784
277 2HD2 ASN 36 1HD2 ASN 36 12.808 -0.084 5.755
278 H ALA 37 H ALA 37 17.749 -1.869 4.462
279 HA ALA 37 HA ALA 37 16.584 -1.655 1.764
280 1HB ALA 37 3HB ALA 37 19.030 -1.522 2.006
281 2HB ALA 37 1HB ALA 37 19.045 -3.113 2.811
282 3HB ALA 37 2HB ALA 37 18.544 -2.979 1.114
283 H ALA 38 H ALA 38 16.658 -3.793 4.497
284 HA ALA 38 HA ALA 38 16.259 -6.272 3.220
285 1HB ALA 38 3HB ALA 38 16.851 -6.073 5.631
286 2HB ALA 38 1HB ALA 38 15.252 -5.398 5.984
287 3HB ALA 38 2HB ALA 38 15.410 -7.070 5.413
288 H LYS 39 H LYS 39 13.792 -4.287 4.811
289 HA LYS 39 HA LYS 39 11.581 -5.737 3.735
290 1HB LYS 39 1HB LYS 39 11.994 -4.053 5.791
291 2HB LYS 39 2HB LYS 39 11.332 -2.873 4.672
292 1HG LYS 39 1HG LYS 39 9.190 -3.797 4.783
293 2HG LYS 39 2HG LYS 39 9.797 -5.410 5.200
294 1HD LYS 39 1HD LYS 39 8.744 -4.363 7.136
295 2HD LYS 39 2HD LYS 39 10.461 -4.628 7.399
296 1HE LYS 39 1HE LYS 39 10.853 -2.173 6.784
297 2HE LYS 39 2HE LYS 39 9.098 -1.955 6.834
298 1HZ LYS 39 2HZ LYS 39 9.168 -2.738 9.140
299 2HZ LYS 39 3HZ LYS 39 10.805 -2.922 9.043
300 3HZ LYS 39 1HZ LYS 39 10.151 -1.434 8.976
301 H ARG 40 H ARG 40 13.504 -3.096 2.452
302 HA ARG 40 HA ARG 40 11.620 -2.275 0.395
303 1HB ARG 40 1HB ARG 40 13.506 -0.819 1.041
304 2HB ARG 40 2HB ARG 40 14.650 -2.082 0.636
305 1HG ARG 40 1HG ARG 40 14.712 -0.510 -1.099
306 2HG ARG 40 2HG ARG 40 13.992 -1.986 -1.722
307 1HD ARG 40 1HD ARG 40 12.706 -0.266 -2.682
308 2HD ARG 40 2HD ARG 40 11.694 -0.824 -1.359
309 HE ARG 40 HE ARG 40 12.619 1.084 -0.012
310 1HH1 ARG 40 2HH2 ARG 40 12.497 1.469 -3.568
311 2HH1 ARG 40 1HH2 ARG 40 13.225 3.035 -3.529
312 1HH2 ARG 40 2HH1 ARG 40 13.004 3.272 0.047
313 2HH2 ARG 40 1HH1 ARG 40 13.357 4.127 -1.445
314 H GLU 41 H GLU 41 14.348 -4.636 0.552
315 HA GLU 41 HA GLU 41 13.898 -5.558 -2.130
316 1HB GLU 41 1HB GLU 41 16.058 -5.553 -1.069
317 2HB GLU 41 2HB GLU 41 15.497 -6.642 0.207
318 1HG GLU 41 1HG GLU 41 15.386 -8.477 -1.230
319 2HG GLU 41 2HG GLU 41 15.267 -7.476 -2.690
320 H GLU 42 H GLU 42 12.506 -6.415 1.006
321 HA GLU 42 HA GLU 42 11.222 -8.821 0.157
322 1HB GLU 42 1HB GLU 42 11.391 -7.993 2.544
323 2HB GLU 42 2HB GLU 42 10.221 -6.741 2.151
324 1HG GLU 42 1HG GLU 42 8.985 -8.426 3.204
325 2HG GLU 42 2HG GLU 42 8.585 -8.590 1.490
326 H MET 43 H MET 43 9.900 -5.438 0.355
327 HA MET 43 HA MET 43 7.543 -5.795 -1.036
328 1HB MET 43 1HB MET 43 8.316 -3.651 0.018
329 2HB MET 43 2HB MET 43 9.377 -3.395 -1.356
330 1HG MET 43 1HG MET 43 7.227 -3.612 -2.820
331 2HG MET 43 2HG MET 43 6.341 -3.494 -1.308
332 1HE MET 43 3HE MET 43 8.777 -1.750 -3.863
333 2HE MET 43 1HE MET 43 8.926 -0.112 -3.184
334 3HE MET 43 2HE MET 43 9.678 -1.484 -2.360
335 H ILE 44 H ILE 44 10.776 -5.226 -2.459
336 HA ILE 44 HA ILE 44 9.972 -5.039 -5.149
337 HB ILE 44 HB ILE 44 12.572 -5.950 -3.890
338 1HG1 ILE 44 1HG1 ILE 44 11.859 -3.465 -5.494
339 2HG1 ILE 44 2HG1 ILE 44 11.627 -3.495 -3.764
340 1HG2 ILE 44 1HG2 ILE 44 11.962 -5.424 -6.834
341 2HG2 ILE 44 2HG2 ILE 44 13.584 -5.635 -6.158
342 3HG2 ILE 44 3HG2 ILE 44 12.453 -6.984 -6.136
343 1HD1 ILE 44 2HD1 ILE 44 14.066 -3.876 -3.429
344 2HD1 ILE 44 3HD1 ILE 44 14.301 -3.772 -5.185
345 3HD1 ILE 44 1HD1 ILE 44 13.704 -2.372 -4.286
346 H LYS 45 H LYS 45 10.906 -8.106 -3.362
347 HA LYS 45 HA LYS 45 9.963 -9.620 -5.705
348 1HB LYS 45 1HB LYS 45 11.259 -10.309 -3.110
349 2HB LYS 45 2HB LYS 45 10.102 -11.492 -3.727
350 1HG LYS 45 1HG LYS 45 12.190 -12.125 -4.613
351 2HG LYS 45 2HG LYS 45 11.248 -11.473 -5.944
352 1HD LYS 45 1HD LYS 45 12.536 -9.342 -5.803
353 2HD LYS 45 2HD LYS 45 13.442 -9.995 -4.411
354 1HE LYS 45 1HE LYS 45 14.111 -11.945 -5.878
355 2HE LYS 45 2HE LYS 45 13.352 -11.120 -7.250
356 1HZ LYS 45 1HZ LYS 45 15.585 -10.040 -5.648
357 2HZ LYS 45 2HZ LYS 45 15.757 -10.778 -7.087
358 3HZ LYS 45 3HZ LYS 45 14.946 -9.332 -6.985
359 H ARG 46 H ARG 46 8.329 -8.282 -2.911
360 HA ARG 46 HA ARG 46 5.984 -9.999 -3.216
361 1HB ARG 46 1HB ARG 46 6.048 -7.130 -2.229
362 2HB ARG 46 2HB ARG 46 4.753 -8.282 -2.000
363 1HG ARG 46 1HG ARG 46 7.462 -8.823 -0.777
364 2HG ARG 46 2HG ARG 46 6.334 -7.694 -0.045
365 1HD ARG 46 1HD ARG 46 6.073 -9.743 1.043
366 2HD ARG 46 2HD ARG 46 4.635 -9.529 0.036
367 HE ARG 46 HE ARG 46 6.275 -11.006 -1.584
368 1HH1 ARG 46 2HH2 ARG 46 5.408 -11.460 1.825
369 2HH1 ARG 46 1HH2 ARG 46 5.083 -13.154 1.640
370 1HH2 ARG 46 2HH1 ARG 46 6.233 -13.237 -1.734
371 2HH2 ARG 46 1HH1 ARG 46 5.950 -14.246 -0.362
372 H SER 47 H SER 47 7.246 -7.347 -5.193
373 HA SER 47 HA SER 47 4.562 -7.215 -6.545
374 1HB SER 47 1HB SER 47 4.947 -4.784 -6.681
375 2HB SER 47 2HB SER 47 4.780 -5.381 -5.026
376 HG SER 47 HG SER 47 7.065 -5.242 -4.810
377 H GLY 48 H GLY 48 8.042 -7.247 -7.141
378 1HA GLY 48 1HA GLY 48 9.179 -7.277 -9.139
379 2HA GLY 48 2HA GLY 48 7.667 -7.088 -10.040
380 H ARG 49 H ARG 49 8.189 -4.810 -7.368
381 HA ARG 49 HA ARG 49 9.026 -2.666 -9.254
382 1HB ARG 49 1HB ARG 49 6.464 -2.872 -7.647
383 2HB ARG 49 2HB ARG 49 7.129 -1.297 -8.101
384 1HG ARG 49 1HG ARG 49 7.001 -1.892 -10.474
385 2HG ARG 49 2HG ARG 49 6.379 -3.507 -10.050
386 1HD ARG 49 1HD ARG 49 4.504 -2.267 -8.783
387 2HD ARG 49 2HD ARG 49 5.060 -0.810 -9.624
388 HE ARG 49 HE ARG 49 4.502 -3.179 -11.282
389 1HH1 ARG 49 2HH2 ARG 49 3.100 -0.178 -9.941
390 2HH1 ARG 49 1HH2 ARG 49 1.750 -0.187 -11.023
391 1HH2 ARG 49 2HH1 ARG 49 2.942 -2.828 -13.030
392 2HH2 ARG 49 1HH1 ARG 49 1.666 -1.718 -12.781
393 H THR 50 H THR 50 9.965 -0.876 -8.247
394 HA THR 50 HA THR 50 11.128 -1.500 -5.617
395 HB THR 50 HB THR 50 12.837 0.166 -6.551
396 HG1 THR 50 HG1 THR 50 12.631 0.593 -8.756
397 1HG2 THR 50 3HG2 THR 50 12.234 -2.311 -8.249
398 2HG2 THR 50 1HG2 THR 50 13.742 -1.390 -8.296
399 3HG2 THR 50 2HG2 THR 50 13.286 -2.232 -6.822
400 H THR 51 H THR 51 8.821 0.639 -7.010
401 HA THR 51 HA THR 51 9.570 2.942 -5.410
402 HB THR 51 HB THR 51 7.571 3.926 -6.683
403 HG1 THR 51 HG1 THR 51 6.390 2.170 -7.238
404 1HG2 THR 51 3HG2 THR 51 9.904 2.693 -8.218
405 2HG2 THR 51 1HG2 THR 51 8.689 3.739 -8.975
406 3HG2 THR 51 2HG2 THR 51 9.693 4.364 -7.676
407 H VAL 52 H VAL 52 8.066 4.121 -4.098
408 HA VAL 52 HA VAL 52 5.928 2.486 -2.843
409 HB VAL 52 HB VAL 52 6.040 4.162 -1.001
410 1HG1 VAL 52 1HG1 VAL 52 8.627 2.705 -1.614
411 2HG1 VAL 52 2HG1 VAL 52 8.139 3.330 -0.031
412 3HG1 VAL 52 3HG1 VAL 52 7.172 2.060 -0.805
413 1HG2 VAL 52 2HG2 VAL 52 7.088 6.021 -2.343
414 2HG2 VAL 52 3HG2 VAL 52 7.742 5.719 -0.728
415 3HG2 VAL 52 1HG2 VAL 52 8.634 5.159 -2.160
416 HA PRO 53 HA PRO 53 4.329 3.019 -1.432
417 1HB PRO 53 1HB PRO 53 1.654 3.105 -1.124
418 2HB PRO 53 2HB PRO 53 2.676 4.472 -0.601
419 1HG PRO 53 1HG PRO 53 1.063 4.165 -3.140
420 2HG PRO 53 2HG PRO 53 1.254 5.624 -2.112
421 1HD PRO 53 1HD PRO 53 2.685 5.046 -4.461
422 2HD PRO 53 2HD PRO 53 3.191 6.234 -3.225
423 H GLN 54 H GLN 54 3.227 0.950 -1.278
424 HA GLN 54 HA GLN 54 1.771 0.008 -3.614
425 1HB GLN 54 1HB GLN 54 4.256 -1.488 -2.641
426 2HB GLN 54 2HB GLN 54 3.012 -2.146 -3.718
427 1HG GLN 54 1HG GLN 54 3.484 -0.182 -5.284
428 2HG GLN 54 2HG GLN 54 4.891 0.163 -4.267
429 1HE2 GLN 54 2HE2 GLN 54 6.774 -2.633 -5.528
430 2HE2 GLN 54 1HE2 GLN 54 6.741 -1.216 -4.483
431 H ILE 55 H ILE 55 0.195 -1.618 -2.946
432 HA ILE 55 HA ILE 55 0.062 -1.871 -0.012
433 HB ILE 55 HB ILE 55 -2.160 -1.221 -1.998
434 1HG1 ILE 55 1HG1 ILE 55 -2.152 0.872 -0.234
435 2HG1 ILE 55 2HG1 ILE 55 -0.450 0.496 -0.205
436 1HG2 ILE 55 1HG2 ILE 55 -2.890 -2.622 -0.043
437 2HG2 ILE 55 2HG2 ILE 55 -2.293 -1.355 1.044
438 3HG2 ILE 55 3HG2 ILE 55 -3.630 -1.035 -0.065
439 1HD1 ILE 55 2HD1 ILE 55 -2.074 1.165 -2.692
440 2HD1 ILE 55 3HD1 ILE 55 -1.009 2.274 -1.815
441 3HD1 ILE 55 1HD1 ILE 55 -0.328 0.885 -2.670
442 H PHE 56 H PHE 56 -0.845 -3.840 0.675
443 HA PHE 56 HA PHE 56 -1.200 -5.966 -1.339
444 1HB PHE 56 1HB PHE 56 0.628 -6.251 1.076
445 2HB PHE 56 2HB PHE 56 0.270 -7.458 -0.132
446 HD1 PHE 56 HD1 PHE 56 1.949 -4.127 0.375
447 HD2 PHE 56 HD2 PHE 56 1.599 -7.638 -2.099
448 HE1 PHE 56 HE1 PHE 56 3.811 -3.311 -1.052
449 HE2 PHE 56 HE2 PHE 56 3.455 -6.825 -3.500
450 HZ PHE 56 HZ PHE 56 4.559 -4.656 -3.020
451 H ILE 57 H ILE 57 -3.213 -6.694 -0.872
452 HA ILE 57 HA ILE 57 -4.306 -6.268 1.899
453 HB ILE 57 HB ILE 57 -5.568 -6.391 -0.850
454 1HG1 ILE 57 1HG1 ILE 57 -5.255 -4.227 1.267
455 2HG1 ILE 57 2HG1 ILE 57 -4.492 -4.276 -0.312
456 1HG2 ILE 57 3HG2 ILE 57 -7.072 -7.536 0.845
457 2HG2 ILE 57 1HG2 ILE 57 -7.154 -5.981 1.703
458 3HG2 ILE 57 2HG2 ILE 57 -7.761 -6.129 0.050
459 1HD1 ILE 57 3HD1 ILE 57 -6.810 -4.049 -1.341
460 2HD1 ILE 57 1HD1 ILE 57 -7.413 -3.749 0.305
461 3HD1 ILE 57 2HD1 ILE 57 -6.215 -2.657 -0.410
462 H ASP 58 H ASP 58 -4.153 -8.105 3.077
463 HA ASP 58 HA ASP 58 -3.929 -10.307 3.620
464 1HB ASP 58 1HB ASP 58 -5.934 -10.814 1.437
465 2HB ASP 58 2HB ASP 58 -5.503 -11.944 2.722
466 H ALA 59 H ALA 59 -2.098 -9.260 2.012
467 HA ALA 59 HA ALA 59 -0.329 -9.596 0.631
468 1HB ALA 59 2HB ALA 59 0.040 -11.410 2.232
469 2HB ALA 59 3HB ALA 59 -0.844 -12.535 1.176
470 3HB ALA 59 1HB ALA 59 0.672 -11.785 0.630
471 H GLN 60 H GLN 60 -2.751 -9.084 -0.672
472 HA GLN 60 HA GLN 60 -2.218 -10.287 -3.352
473 1HB GLN 60 1HB GLN 60 -4.710 -8.834 -2.375
474 2HB GLN 60 2HB GLN 60 -4.454 -9.495 -3.978
475 1HG GLN 60 1HG GLN 60 -4.559 -11.741 -3.220
476 2HG GLN 60 2HG GLN 60 -4.330 -11.277 -1.531
477 1HE2 GLN 60 2HE2 GLN 60 -7.712 -10.510 -0.869
478 2HE2 GLN 60 1HE2 GLN 60 -6.059 -10.024 -0.471
479 H HIS 61 H HIS 61 -0.615 -8.959 -4.065
480 HA HIS 61 HA HIS 61 -0.236 -6.275 -3.465
481 1HB HIS 61 1HB HIS 61 1.485 -7.700 -4.514
482 2HB HIS 61 2HB HIS 61 0.480 -7.922 -5.936
483 HD1 HIS 61 HD1 HIS 61 1.374 -6.569 -7.878
484 HD2 HIS 61 HD2 HIS 61 1.682 -4.622 -4.130
485 HE1 HIS 61 HE1 HIS 61 2.712 -4.396 -8.274
486 HE2 HIS 61 HE2 HIS 61 2.872 -3.203 -6.038
487 H ILE 62 H ILE 62 -1.383 -4.508 -3.929
488 HA ILE 62 HA ILE 62 -3.517 -4.536 -5.885
489 HB ILE 62 HB ILE 62 -2.376 -2.188 -4.306
490 1HG1 ILE 62 1HG1 ILE 62 -2.880 -3.811 -2.678
491 2HG1 ILE 62 2HG1 ILE 62 -4.177 -2.661 -2.636
492 1HG2 ILE 62 3HG2 ILE 62 -3.909 -1.523 -6.153
493 2HG2 ILE 62 1HG2 ILE 62 -5.170 -2.562 -5.461
494 3HG2 ILE 62 2HG2 ILE 62 -4.560 -1.165 -4.570
495 1HD1 ILE 62 2HD1 ILE 62 -4.384 -5.374 -4.042
496 2HD1 ILE 62 3HD1 ILE 62 -5.023 -4.980 -2.466
497 3HD1 ILE 62 1HD1 ILE 62 -5.676 -4.163 -3.888
498 H GLY 63 H GLY 63 -0.415 -2.741 -5.611
499 1HA GLY 63 1HA GLY 63 0.753 -2.386 -7.889
500 2HA GLY 63 2HA GLY 63 -0.798 -1.650 -8.335
501 H GLY 64 H GLY 64 -0.479 0.508 -8.254
502 1HA GLY 64 1HA GLY 64 1.235 1.771 -6.202
503 2HA GLY 64 2HA GLY 64 0.621 2.498 -7.691
504 H TYR 65 H TYR 65 0.070 4.333 -6.365
505 HA TYR 65 HA TYR 65 -1.934 4.124 -4.225
506 1HB TYR 65 1HB TYR 65 -0.260 5.845 -3.881
507 2HB TYR 65 2HB TYR 65 -0.436 6.434 -5.519
508 HD1 TYR 65 HD2 TYR 65 -2.907 5.677 -2.779
509 HD2 TYR 65 HD1 TYR 65 -1.371 8.601 -5.558
510 HE1 TYR 65 HE2 TYR 65 -4.545 7.308 -1.970
511 HE2 TYR 65 HE1 TYR 65 -3.085 10.196 -4.812
512 HH TYR 65 HH TYR 65 -5.079 10.444 -3.604
513 H ASP 66 H ASP 66 -1.721 5.768 -7.464
514 HA ASP 66 HA ASP 66 -4.480 6.535 -7.367
515 1HB ASP 66 1HB ASP 66 -2.571 6.215 -9.700
516 2HB ASP 66 2HB ASP 66 -4.220 6.801 -9.860
517 H ASP 67 H ASP 67 -2.823 3.653 -8.327
518 HA ASP 67 HA ASP 67 -4.955 2.147 -9.506
519 1HB ASP 67 1HB ASP 67 -2.721 1.131 -7.700
520 2HB ASP 67 2HB ASP 67 -3.858 0.111 -8.563
521 H LEU 68 H LEU 68 -3.824 2.157 -5.971
522 HA LEU 68 HA LEU 68 -6.009 0.586 -5.157
523 1HB LEU 68 1HB LEU 68 -3.979 0.946 -3.795
524 2HB LEU 68 2HB LEU 68 -4.408 2.644 -3.583
525 HG LEU 68 HG LEU 68 -6.560 1.924 -2.461
526 1HD1 LEU 68 2HD1 LEU 68 -5.263 -0.828 -2.545
527 2HD1 LEU 68 3HD1 LEU 68 -6.634 -0.408 -1.554
528 3HD1 LEU 68 1HD1 LEU 68 -6.811 -0.383 -3.310
529 1HD2 LEU 68 2HD2 LEU 68 -4.537 2.537 -1.169
530 2HD2 LEU 68 3HD2 LEU 68 -5.616 1.377 -0.360
531 3HD2 LEU 68 1HD2 LEU 68 -4.118 0.813 -1.131
532 H TYR 69 H TYR 69 -5.641 4.071 -5.348
533 HA TYR 69 HA TYR 69 -8.055 4.880 -4.094
534 1HB TYR 69 1HB TYR 69 -6.169 6.386 -4.812
535 2HB TYR 69 2HB TYR 69 -6.674 6.188 -6.484
536 HD1 TYR 69 HD1 TYR 69 -9.148 6.828 -7.097
537 HD2 TYR 69 HD2 TYR 69 -7.182 8.062 -3.443
538 HE1 TYR 69 HE1 TYR 69 -10.948 8.396 -6.672
539 HE2 TYR 69 HE2 TYR 69 -8.958 9.746 -3.068
540 HH TYR 69 HH TYR 69 -11.689 10.168 -5.375
541 H ALA 70 H ALA 70 -7.411 4.088 -7.526
542 HA ALA 70 HA ALA 70 -10.177 4.459 -8.338
543 1HB ALA 70 2HB ALA 70 -7.923 2.885 -9.653
544 2HB ALA 70 3HB ALA 70 -9.491 3.265 -10.403
545 3HB ALA 70 1HB ALA 70 -8.378 4.581 -9.980
546 H LEU 71 H LEU 71 -8.276 1.726 -7.173
547 HA LEU 71 HA LEU 71 -10.122 -0.362 -7.614
548 1HB LEU 71 1HB LEU 71 -7.529 -0.246 -6.965
549 2HB LEU 71 2HB LEU 71 -8.158 -0.451 -5.344
550 HG LEU 71 HG LEU 71 -7.407 -2.518 -6.345
551 1HD1 LEU 71 2HD1 LEU 71 -9.188 -2.681 -4.789
552 2HD1 LEU 71 3HD1 LEU 71 -10.386 -2.485 -6.106
553 3HD1 LEU 71 1HD1 LEU 71 -9.365 -3.930 -6.036
554 1HD2 LEU 71 3HD2 LEU 71 -7.921 -1.918 -8.766
555 2HD2 LEU 71 1HD2 LEU 71 -8.320 -3.572 -8.273
556 3HD2 LEU 71 2HD2 LEU 71 -9.609 -2.382 -8.425
557 H ASP 72 H ASP 72 -9.610 1.850 -4.815
558 HA ASP 72 HA ASP 72 -11.687 0.866 -3.100
559 1HB ASP 72 1HB ASP 72 -10.077 2.452 -2.258
560 2HB ASP 72 2HB ASP 72 -10.446 3.617 -3.502
561 H ALA 73 H ALA 73 -11.635 3.515 -5.491
562 HA ALA 73 HA ALA 73 -14.317 4.126 -5.185
563 1HB ALA 73 2HB ALA 73 -12.434 4.627 -7.504
564 2HB ALA 73 3HB ALA 73 -13.978 5.473 -7.278
565 3HB ALA 73 1HB ALA 73 -12.665 5.672 -6.093
566 H ARG 74 H ARG 74 -13.027 1.719 -7.357
567 HA ARG 74 HA ARG 74 -15.588 1.323 -8.718
568 1HB ARG 74 1HB ARG 74 -14.466 -0.290 -9.963
569 2HB ARG 74 2HB ARG 74 -13.326 1.022 -9.760
570 1HG ARG 74 1HG ARG 74 -12.155 -0.271 -8.032
571 2HG ARG 74 2HG ARG 74 -13.279 -1.605 -8.179
572 1HD ARG 74 1HD ARG 74 -12.142 -0.786 -10.790
573 2HD ARG 74 2HD ARG 74 -10.900 -1.234 -9.653
574 HE ARG 74 HE ARG 74 -11.846 -3.437 -9.424
575 1HH1 ARG 74 2HH2 ARG 74 -12.945 -1.680 -12.286
576 2HH1 ARG 74 1HH2 ARG 74 -13.920 -2.982 -12.890
577 1HH2 ARG 74 2HH1 ARG 74 -12.892 -5.271 -10.347
578 2HH2 ARG 74 1HH1 ARG 74 -13.701 -5.115 -11.850
579 H GLY 75 H GLY 75 -14.250 0.337 -5.750
580 1HA GLY 75 1HA GLY 75 -15.145 -1.014 -4.104
581 2HA GLY 75 2HA GLY 75 -16.433 -1.519 -5.214
582 H GLY 76 H GLY 76 -12.797 -1.797 -5.107
583 1HA GLY 76 1HA GLY 76 -13.166 -4.765 -5.165
584 2HA GLY 76 2HA GLY 76 -11.897 -3.961 -6.101
585 H LEU 77 H LEU 77 -11.594 -1.927 -3.775
586 HA LEU 77 HA LEU 77 -9.893 -3.485 -1.970
587 1HB LEU 77 1HB LEU 77 -9.513 -1.050 -2.648
588 2HB LEU 77 2HB LEU 77 -10.912 -0.597 -1.703
589 HG LEU 77 HG LEU 77 -8.271 -1.643 -0.743
590 1HD1 LEU 77 1HD1 LEU 77 -8.592 0.802 -1.274
591 2HD1 LEU 77 2HD1 LEU 77 -9.842 0.867 -0.025
592 3HD1 LEU 77 3HD1 LEU 77 -8.164 0.497 0.421
593 1HD2 LEU 77 2HD2 LEU 77 -10.740 -1.312 0.990
594 2HD2 LEU 77 3HD2 LEU 77 -9.773 -2.789 0.743
595 3HD2 LEU 77 1HD2 LEU 77 -9.079 -1.422 1.605
596 H ASP 78 H ASP 78 -12.833 -1.511 -1.675
597 HA ASP 78 HA ASP 78 -13.434 -2.050 0.900
598 1HB ASP 78 1HB ASP 78 -14.492 -0.449 -0.955
599 2HB ASP 78 2HB ASP 78 -15.776 -1.647 -0.935
600 HA PRO 79 HA PRO 79 -16.396 -5.663 0.086
601 1HB PRO 79 1HB PRO 79 -16.280 -7.158 -2.204
602 2HB PRO 79 2HB PRO 79 -17.316 -5.708 -2.012
603 1HG PRO 79 1HG PRO 79 -14.574 -5.891 -3.293
604 2HG PRO 79 2HG PRO 79 -16.059 -5.101 -3.922
605 1HD PRO 79 1HD PRO 79 -14.124 -3.696 -2.669
606 2HD PRO 79 2HD PRO 79 -15.851 -3.297 -2.436
607 H LEU 80 H LEU 80 -13.011 -5.816 -1.029
608 HA LEU 80 HA LEU 80 -12.750 -8.619 -0.179
609 1HB LEU 80 1HB LEU 80 -10.972 -6.596 -1.503
610 2HB LEU 80 2HB LEU 80 -10.172 -7.795 -0.507
611 HG LEU 80 HG LEU 80 -12.133 -8.522 -2.712
612 1HD1 LEU 80 1HD1 LEU 80 -10.118 -7.418 -3.637
613 2HD1 LEU 80 2HD1 LEU 80 -9.096 -8.577 -2.743
614 3HD1 LEU 80 3HD1 LEU 80 -10.164 -9.138 -4.040
615 1HD2 LEU 80 2HD2 LEU 80 -10.115 -10.173 -1.089
616 2HD2 LEU 80 3HD2 LEU 80 -11.880 -10.346 -1.039
617 3HD2 LEU 80 1HD2 LEU 80 -10.997 -10.780 -2.498
618 H LEU 81 H LEU 81 -12.917 -5.645 1.415
619 HA LEU 81 HA LEU 81 -11.023 -6.136 3.514
620 1HB LEU 81 1HB LEU 81 -12.468 -4.005 2.657
621 2HB LEU 81 2HB LEU 81 -13.542 -4.535 3.932
622 HG LEU 81 HG LEU 81 -12.067 -2.733 4.602
623 1HD1 LEU 81 3HD1 LEU 81 -12.666 -4.378 6.374
624 2HD1 LEU 81 1HD1 LEU 81 -11.118 -5.196 6.093
625 3HD1 LEU 81 2HD1 LEU 81 -11.143 -3.525 6.660
626 1HD2 LEU 81 3HD2 LEU 81 -10.212 -3.323 3.027
627 2HD2 LEU 81 1HD2 LEU 81 -9.700 -2.834 4.642
628 3HD2 LEU 81 2HD2 LEU 81 -9.664 -4.548 4.187
629 H LYS 82 H LYS 82 -14.072 -7.602 2.755
630 HA LYS 82 HA LYS 82 -14.972 -8.166 5.408
631 1HB LYS 82 1HB LYS 82 -15.750 -8.906 2.643
632 2HB LYS 82 2HB LYS 82 -15.985 -10.217 3.771
633 1HG LYS 82 1HG LYS 82 -17.155 -7.416 4.099
634 2HG LYS 82 2HG LYS 82 -17.999 -8.840 3.499
635 1HD LYS 82 1HD LYS 82 -18.670 -9.141 5.634
636 2HD LYS 82 2HD LYS 82 -17.071 -9.840 5.872
637 1HE LYS 82 1HE LYS 82 -16.385 -7.304 6.361
638 2HE LYS 82 2HE LYS 82 -18.120 -7.093 6.616
639 1HZ LYS 82 3HZ LYS 82 -17.973 -8.854 8.315
640 2HZ LYS 82 1HZ LYS 82 -16.356 -9.000 8.042
641 3HZ LYS 82 2HZ LYS 82 -16.934 -7.627 8.668
642 1HB2 GTT 83 1HB2 GTT 83 9.563 7.571 -3.455
643 2HB2 GTT 83 2HB2 GTT 83 10.709 8.608 -4.294
644 HA2 GTT 83 HA2 GTT 83 10.146 7.828 -6.396
645 HN2 GTT 83 HN2 GTT 83 7.476 7.293 -5.275
646 1HG1 GTT 83 1HG1 GTT 83 5.932 7.722 -7.817
647 2HG1 GTT 83 2HG1 GTT 83 5.830 6.449 -6.601
648 1HB1 GTT 83 1HB1 GTT 83 6.241 4.726 -8.175
649 2HB1 GTT 83 2HB1 GTT 83 6.724 5.868 -9.432
650 HA1 GTT 83 HA1 GTT 83 3.921 5.835 -8.319
651 1HN1 GTT 83 1HN1 GTT 83 3.396 4.542 -10.200
652 2HN1 GTT 83 2HN1 GTT 83 4.966 4.513 -10.705
653 3HN1 GTT 83 3HN1 GTT 83 4.497 3.690 -9.334
654 HN3 GTT 83 HN3 GTT 83 11.750 6.251 -6.431
655 1HA3 GTT 83 1HA3 GTT 83 11.556 3.818 -4.794
656 2HA3 GTT 83 2HA3 GTT 83 11.500 3.623 -6.565
No H/Q in entry = 656
Start of MODEL 15
1 1H ALA 1 3H ALA 1 -8.858 -7.852 8.187
2 2H ALA 1 1H ALA 1 -9.877 -8.889 7.391
3 3H ALA 1 2H ALA 1 -8.594 -9.463 8.260
4 HA ALA 1 HA ALA 1 -8.101 -9.601 5.966
5 1HB ALA 1 3HB ALA 1 -9.578 -7.723 5.225
6 2HB ALA 1 1HB ALA 1 -8.440 -6.566 5.933
7 3HB ALA 1 2HB ALA 1 -7.953 -7.595 4.569
8 H ASN 2 H ASN 2 -6.039 -8.541 4.977
9 HA ASN 2 HA ASN 2 -4.006 -7.917 7.074
10 1HB ASN 2 1HB ASN 2 -4.095 -10.266 6.137
11 2HB ASN 2 2HB ASN 2 -3.696 -9.623 4.556
12 1HD2 ASN 2 2HD2 ASN 2 -0.307 -8.658 5.812
13 2HD2 ASN 2 1HD2 ASN 2 -1.595 -8.007 4.797
14 H VAL 3 H VAL 3 -4.950 -5.639 6.279
15 HA VAL 3 HA VAL 3 -3.985 -4.816 3.625
16 HB VAL 3 HB VAL 3 -5.321 -3.194 5.840
17 1HG1 VAL 3 3HG1 VAL 3 -4.059 -1.771 4.247
18 2HG1 VAL 3 1HG1 VAL 3 -4.909 -2.518 2.887
19 3HG1 VAL 3 2HG1 VAL 3 -5.804 -1.549 4.072
20 1HG2 VAL 3 2HG2 VAL 3 -6.547 -4.461 3.350
21 2HG2 VAL 3 3HG2 VAL 3 -6.883 -4.911 5.033
22 3HG2 VAL 3 1HG2 VAL 3 -7.362 -3.324 4.428
23 H GLU 4 H GLU 4 -1.901 -4.118 3.319
24 HA GLU 4 HA GLU 4 -0.559 -2.712 5.554
25 1HB GLU 4 1HB GLU 4 1.005 -4.625 3.828
26 2HB GLU 4 2HB GLU 4 1.408 -3.923 5.385
27 1HG GLU 4 1HG GLU 4 -0.181 -5.370 6.535
28 2HG GLU 4 2HG GLU 4 -0.779 -6.011 5.003
29 H ILE 5 H ILE 5 1.082 -1.184 4.783
30 HA ILE 5 HA ILE 5 1.150 -0.722 1.871
31 HB ILE 5 HB ILE 5 -0.665 0.672 2.567
32 1HG1 ILE 5 1HG1 ILE 5 1.888 2.220 1.912
33 2HG1 ILE 5 2HG1 ILE 5 0.836 1.418 0.780
34 1HG2 ILE 5 2HG2 ILE 5 -0.060 0.979 4.978
35 2HG2 ILE 5 3HG2 ILE 5 1.160 2.168 4.475
36 3HG2 ILE 5 1HG2 ILE 5 -0.564 2.460 4.164
37 1HD1 ILE 5 2HD1 ILE 5 -1.016 3.024 1.528
38 2HD1 ILE 5 3HD1 ILE 5 0.278 3.915 2.376
39 3HD1 ILE 5 1HD1 ILE 5 0.362 3.697 0.630
40 H TYR 6 H TYR 6 3.107 -0.561 1.221
41 HA TYR 6 HA TYR 6 5.431 -0.181 2.986
42 1HB TYR 6 1HB TYR 6 4.971 -0.650 0.018
43 2HB TYR 6 2HB TYR 6 6.547 -0.244 0.653
44 HD1 TYR 6 HD1 TYR 6 7.195 -1.624 2.923
45 HD2 TYR 6 HD2 TYR 6 4.498 -2.964 -0.174
46 HE1 TYR 6 HE1 TYR 6 7.576 -3.942 3.613
47 HE2 TYR 6 HE2 TYR 6 4.848 -5.317 0.552
48 HH TYR 6 HH TYR 6 5.499 -6.461 2.662
49 H THR 7 H THR 7 6.191 1.796 3.555
50 HA THR 7 HA THR 7 5.750 4.083 1.725
51 HB THR 7 HB THR 7 5.130 5.401 3.773
52 HG1 THR 7 HG1 THR 7 4.628 4.346 5.612
53 1HG2 THR 7 2HG2 THR 7 3.289 4.489 2.330
54 2HG2 THR 7 3HG2 THR 7 3.246 3.050 3.385
55 3HG2 THR 7 1HG2 THR 7 2.839 4.623 4.047
56 H LYS 8 H LYS 8 7.150 5.950 2.471
57 HA LYS 8 HA LYS 8 9.255 5.215 4.318
58 1HB LYS 8 1HB LYS 8 11.097 5.914 2.988
59 2HB LYS 8 2HB LYS 8 10.302 4.588 2.196
60 1HG LYS 8 1HG LYS 8 9.511 5.983 0.439
61 2HG LYS 8 2HG LYS 8 9.776 7.449 1.335
62 1HD LYS 8 1HD LYS 8 11.615 7.315 -0.202
63 2HD LYS 8 2HD LYS 8 12.285 6.928 1.365
64 1HE LYS 8 1HE LYS 8 12.249 4.568 0.961
65 2HE LYS 8 2HE LYS 8 11.213 4.732 -0.464
66 1HZ LYS 8 2HZ LYS 8 13.885 5.930 -0.520
67 2HZ LYS 8 3HZ LYS 8 13.668 4.308 -0.730
68 3HZ LYS 8 1HZ LYS 8 12.938 5.361 -1.751
69 H GLU 9 H GLU 9 10.437 7.298 4.849
70 HA GLU 9 HA GLU 9 8.825 9.591 5.301
71 1HB GLU 9 1HB GLU 9 11.049 8.687 6.413
72 2HB GLU 9 2HB GLU 9 11.863 9.540 5.104
73 1HG GLU 9 1HG GLU 9 10.690 11.646 5.829
74 2HG GLU 9 2HG GLU 9 9.980 10.749 7.179
75 H THR 10 H THR 10 9.397 11.774 4.342
76 HA THR 10 HA THR 10 9.730 13.289 2.843
77 HB THR 10 HB THR 10 11.547 13.198 1.282
78 HG1 THR 10 HG1 THR 10 11.475 10.434 1.815
79 1HG2 THR 10 1HG2 THR 10 12.086 13.481 3.699
80 2HG2 THR 10 2HG2 THR 10 12.348 11.726 3.834
81 3HG2 THR 10 3HG2 THR 10 13.384 12.692 2.779
82 H CYS 11 H CYS 11 9.213 10.232 1.047
83 HA CYS 11 HA CYS 11 8.365 11.468 -1.361
84 1HB CYS 11 1HB CYS 11 9.062 9.169 -1.345
85 2HB CYS 11 2HB CYS 11 7.844 8.749 -0.147
86 HA PRO 12 HA PRO 12 4.419 12.810 0.446
87 1HB PRO 12 1HB PRO 12 3.419 14.313 -1.521
88 2HB PRO 12 2HB PRO 12 4.766 14.881 -0.479
89 1HG PRO 12 1HG PRO 12 4.945 13.697 -3.271
90 2HG PRO 12 2HG PRO 12 5.809 15.119 -2.611
91 1HD PRO 12 1HD PRO 12 6.947 12.623 -2.754
92 2HD PRO 12 2HD PRO 12 7.332 13.781 -1.447
93 H TYR 13 H TYR 13 4.650 11.471 -2.889
94 HA TYR 13 HA TYR 13 1.992 10.529 -3.194
95 1HB TYR 13 1HB TYR 13 3.715 10.670 -4.959
96 2HB TYR 13 2HB TYR 13 4.744 9.565 -4.103
97 HD1 TYR 13 HD2 TYR 13 1.422 9.733 -5.881
98 HD2 TYR 13 HD1 TYR 13 4.838 7.359 -4.743
99 HE1 TYR 13 HE2 TYR 13 0.709 7.955 -7.447
100 HE2 TYR 13 HE1 TYR 13 4.157 5.605 -6.330
101 HH TYR 13 HH TYR 13 1.206 5.876 -8.373
102 H SER 14 H SER 14 4.645 9.283 -1.193
103 HA SER 14 HA SER 14 3.272 6.846 -0.420
104 1HB SER 14 1HB SER 14 5.479 6.574 -0.084
105 2HB SER 14 2HB SER 14 5.783 8.242 0.357
106 HG SER 14 HG SER 14 5.762 7.661 2.328
107 H HIS 15 H HIS 15 3.714 10.070 1.079
108 HA HIS 15 HA HIS 15 2.077 9.456 3.352
109 1HB HIS 15 1HB HIS 15 2.704 12.167 2.112
110 2HB HIS 15 2HB HIS 15 1.810 11.967 3.607
111 HD1 HIS 15 HD1 HIS 15 3.214 10.788 5.753
112 HD2 HIS 15 HD2 HIS 15 5.349 12.236 2.380
113 HE1 HIS 15 HE1 HIS 15 5.661 10.948 6.420
114 HE2 HIS 15 HE2 HIS 15 6.920 11.899 4.477
115 H ARG 16 H ARG 16 1.082 11.087 0.329
116 HA ARG 16 HA ARG 16 -1.610 11.470 0.769
117 1HB ARG 16 1HB ARG 16 0.159 10.989 -1.553
118 2HB ARG 16 2HB ARG 16 -1.440 10.387 -1.855
119 1HG ARG 16 1HG ARG 16 -2.374 12.626 -1.201
120 2HG ARG 16 2HG ARG 16 -0.709 13.214 -1.020
121 1HD ARG 16 1HD ARG 16 -0.264 12.654 -3.403
122 2HD ARG 16 2HD ARG 16 -1.930 12.062 -3.579
123 HE ARG 16 HE ARG 16 -2.470 14.492 -2.701
124 1HH1 ARG 16 2HH2 ARG 16 -0.540 13.483 -5.517
125 2HH1 ARG 16 1HH2 ARG 16 -0.356 15.092 -6.115
126 1HH2 ARG 16 2HH1 ARG 16 -2.352 16.570 -3.620
127 2HH2 ARG 16 1HH1 ARG 16 -1.469 16.863 -5.080
128 H ALA 17 H ALA 17 -0.099 8.296 -0.069
129 HA ALA 17 HA ALA 17 -2.610 7.133 -0.597
130 1HB ALA 17 3HB ALA 17 -0.462 6.239 -1.413
131 2HB ALA 17 1HB ALA 17 0.013 5.854 0.249
132 3HB ALA 17 2HB ALA 17 -1.347 4.987 -0.511
133 H LYS 18 H LYS 18 -1.089 7.594 2.485
134 HA LYS 18 HA LYS 18 -2.842 5.616 3.815
135 1HB LYS 18 1HB LYS 18 -1.184 7.767 5.159
136 2HB LYS 18 2HB LYS 18 -1.930 6.348 5.894
137 1HG LYS 18 1HG LYS 18 0.165 5.443 5.616
138 2HG LYS 18 2HG LYS 18 -0.498 5.063 4.044
139 1HD LYS 18 1HD LYS 18 1.352 6.130 3.250
140 2HD LYS 18 2HD LYS 18 0.452 7.586 3.534
141 1HE LYS 18 1HE LYS 18 2.535 6.336 5.316
142 2HE LYS 18 2HE LYS 18 2.654 7.877 4.492
143 1HZ LYS 18 1HZ LYS 18 0.837 7.256 6.764
144 2HZ LYS 18 2HZ LYS 18 2.196 8.127 6.861
145 3HZ LYS 18 3HZ LYS 18 0.915 8.718 6.020
146 H ALA 19 H ALA 19 -2.876 9.106 3.113
147 HA ALA 19 HA ALA 19 -5.053 9.705 4.901
148 1HB ALA 19 1HB ALA 19 -3.512 11.405 3.999
149 2HB ALA 19 2HB ALA 19 -4.104 11.092 2.347
150 3HB ALA 19 3HB ALA 19 -5.184 11.778 3.566
151 H LEU 20 H LEU 20 -4.880 8.319 1.666
152 HA LEU 20 HA LEU 20 -7.707 8.489 1.076
153 1HB LEU 20 1HB LEU 20 -6.027 8.026 -0.611
154 2HB LEU 20 2HB LEU 20 -5.556 6.518 0.160
155 HG LEU 20 HG LEU 20 -8.339 6.989 -0.996
156 1HD1 LEU 20 3HD1 LEU 20 -6.559 7.229 -2.717
157 2HD1 LEU 20 1HD1 LEU 20 -5.928 5.625 -2.278
158 3HD1 LEU 20 2HD1 LEU 20 -7.556 5.794 -2.968
159 1HD2 LEU 20 2HD2 LEU 20 -6.836 4.441 -0.215
160 2HD2 LEU 20 3HD2 LEU 20 -8.397 4.996 0.411
161 3HD2 LEU 20 1HD2 LEU 20 -8.260 4.434 -1.253
162 H LEU 21 H LEU 21 -5.723 5.777 2.372
163 HA LEU 21 HA LEU 21 -7.965 4.127 2.983
164 1HB LEU 21 1HB LEU 21 -5.085 4.267 3.948
165 2HB LEU 21 2HB LEU 21 -6.192 3.129 4.679
166 HG LEU 21 HG LEU 21 -6.324 3.050 1.720
167 1HD1 LEU 21 3HD1 LEU 21 -3.699 2.334 3.066
168 2HD1 LEU 21 1HD1 LEU 21 -4.185 1.838 1.426
169 3HD1 LEU 21 2HD1 LEU 21 -3.977 3.544 1.794
170 1HD2 LEU 21 1HD2 LEU 21 -5.824 0.933 3.850
171 2HD2 LEU 21 2HD2 LEU 21 -7.385 1.363 3.113
172 3HD2 LEU 21 3HD2 LEU 21 -6.125 0.613 2.130
173 H SER 22 H SER 22 -6.347 6.624 4.984
174 HA SER 22 HA SER 22 -7.934 6.123 7.299
175 1HB SER 22 1HB SER 22 -5.788 7.446 7.233
176 2HB SER 22 2HB SER 22 -6.685 8.778 6.469
177 HG SER 22 HG SER 22 -7.369 7.497 8.925
178 H SER 23 H SER 23 -8.443 8.356 4.460
179 HA SER 23 HA SER 23 -10.857 9.493 5.398
180 1HB SER 23 1HB SER 23 -9.557 10.308 3.478
181 2HB SER 23 2HB SER 23 -9.950 8.851 2.553
182 HG SER 23 HG SER 23 -11.867 10.657 3.615
183 H LYS 24 H LYS 24 -10.218 6.283 4.070
184 HA LYS 24 HA LYS 24 -13.106 5.656 3.886
185 1HB LYS 24 1HB LYS 24 -10.626 4.032 3.225
186 2HB LYS 24 2HB LYS 24 -12.304 3.532 2.935
187 1HG LYS 24 1HG LYS 24 -12.592 5.549 1.473
188 2HG LYS 24 2HG LYS 24 -10.901 5.960 1.712
189 1HD LYS 24 1HD LYS 24 -10.323 3.650 0.820
190 2HD LYS 24 2HD LYS 24 -12.026 3.499 0.366
191 1HE LYS 24 1HE LYS 24 -10.268 5.848 -0.497
192 2HE LYS 24 2HE LYS 24 -10.368 4.339 -1.425
193 1HZ LYS 24 1HZ LYS 24 -12.682 4.655 -1.674
194 2HZ LYS 24 2HZ LYS 24 -12.635 6.117 -0.856
195 3HZ LYS 24 3HZ LYS 24 -11.832 5.915 -2.300
196 H GLY 25 H GLY 25 -11.081 5.893 6.468
197 1HA GLY 25 1HA GLY 25 -11.441 5.248 8.627
198 2HA GLY 25 2HA GLY 25 -12.878 4.371 8.089
199 H VAL 26 H VAL 26 -9.740 3.560 6.627
200 HA VAL 26 HA VAL 26 -10.270 0.839 7.470
201 HB VAL 26 HB VAL 26 -8.028 1.983 5.772
202 1HG1 VAL 26 1HG1 VAL 26 -8.972 -0.856 6.169
203 2HG1 VAL 26 2HG1 VAL 26 -8.096 -0.354 4.712
204 3HG1 VAL 26 3HG1 VAL 26 -7.328 -0.204 6.286
205 1HG2 VAL 26 1HG2 VAL 26 -10.835 1.021 5.060
206 2HG2 VAL 26 2HG2 VAL 26 -10.128 2.590 4.751
207 3HG2 VAL 26 3HG2 VAL 26 -9.552 1.199 3.847
208 H SER 27 H SER 27 -8.725 -0.563 8.330
209 HA SER 27 HA SER 27 -6.740 0.549 10.243
210 1HB SER 27 1HB SER 27 -8.139 -2.149 10.344
211 2HB SER 27 2HB SER 27 -7.074 -1.428 11.572
212 HG SER 27 HG SER 27 -9.649 -0.639 10.706
213 H PHE 28 H PHE 28 -4.724 0.286 9.468
214 HA PHE 28 HA PHE 28 -4.052 -1.940 7.680
215 1HB PHE 28 1HB PHE 28 -2.971 -0.387 6.080
216 2HB PHE 28 2HB PHE 28 -4.716 -0.254 6.115
217 HD1 PHE 28 HD1 PHE 28 -5.845 1.756 6.974
218 HD2 PHE 28 HD2 PHE 28 -1.538 1.497 6.882
219 HE1 PHE 28 HE1 PHE 28 -5.695 4.208 7.247
220 HE2 PHE 28 HE2 PHE 28 -1.392 3.958 7.131
221 HZ PHE 28 HZ PHE 28 -3.478 5.324 7.299
222 H GLN 29 H GLN 29 -1.633 -1.913 7.308
223 HA GLN 29 HA GLN 29 -0.174 -1.210 9.772
224 1HB GLN 29 1HB GLN 29 -0.705 -3.695 9.274
225 2HB GLN 29 2HB GLN 29 0.351 -3.557 7.887
226 1HG GLN 29 1HG GLN 29 2.222 -2.894 9.382
227 2HG GLN 29 2HG GLN 29 1.140 -3.003 10.779
228 1HE2 GLN 29 2HE2 GLN 29 3.115 -6.276 10.030
229 2HE2 GLN 29 1HE2 GLN 29 3.646 -4.612 9.877
230 H GLU 30 H GLU 30 0.693 0.665 9.053
231 HA GLU 30 HA GLU 30 1.916 1.016 6.450
232 1HB GLU 30 1HB GLU 30 1.496 2.690 8.673
233 2HB GLU 30 2HB GLU 30 3.253 2.432 8.673
234 1HG GLU 30 1HG GLU 30 3.086 2.969 6.145
235 2HG GLU 30 2HG GLU 30 1.461 3.550 6.488
236 H LEU 31 H LEU 31 4.027 0.531 5.772
237 HA LEU 31 HA LEU 31 5.729 -1.148 7.560
238 1HB LEU 31 1HB LEU 31 4.961 -1.605 4.674
239 2HB LEU 31 2HB LEU 31 6.274 -2.440 5.506
240 HG LEU 31 HG LEU 31 3.328 -2.543 6.301
241 1HD1 LEU 31 2HD1 LEU 31 5.154 -4.566 4.969
242 2HD1 LEU 31 3HD1 LEU 31 3.489 -4.871 5.498
243 3HD1 LEU 31 1HD1 LEU 31 3.799 -3.691 4.207
244 1HD2 LEU 31 2HD2 LEU 31 5.750 -4.025 7.417
245 2HD2 LEU 31 3HD2 LEU 31 4.652 -2.929 8.301
246 3HD2 LEU 31 1HD2 LEU 31 4.060 -4.484 7.703
247 HA PRO 32 HA PRO 32 8.135 2.449 6.108
248 1HB PRO 32 1HB PRO 32 10.109 1.605 8.176
249 2HB PRO 32 2HB PRO 32 9.250 3.151 8.032
250 1HG PRO 32 1HG PRO 32 8.706 1.242 9.975
251 2HG PRO 32 2HG PRO 32 7.492 2.397 9.362
252 1HD PRO 32 1HD PRO 32 7.844 -0.505 8.686
253 2HD PRO 32 2HD PRO 32 6.345 0.467 8.765
254 H ILE 33 H ILE 33 9.692 2.511 4.612
255 HA ILE 33 HA ILE 33 11.963 0.585 4.710
256 HB ILE 33 HB ILE 33 12.008 0.848 2.187
257 1HG1 ILE 33 1HG1 ILE 33 9.979 2.497 2.230
258 2HG1 ILE 33 2HG1 ILE 33 10.341 1.439 0.894
259 1HG2 ILE 33 3HG2 ILE 33 11.739 -1.222 3.374
260 2HG2 ILE 33 1HG2 ILE 33 9.991 -0.946 3.562
261 3HG2 ILE 33 2HG2 ILE 33 10.699 -1.180 1.953
262 1HD1 ILE 33 2HD1 ILE 33 8.295 0.736 2.984
263 2HD1 ILE 33 3HD1 ILE 33 7.958 1.506 1.418
264 3HD1 ILE 33 1HD1 ILE 33 8.645 -0.120 1.469
265 H ASP 34 H ASP 34 11.323 3.719 5.314
266 HA ASP 34 HA ASP 34 13.618 4.766 3.803
267 1HB ASP 34 1HB ASP 34 11.719 6.230 4.936
268 2HB ASP 34 2HB ASP 34 12.685 6.029 6.385
269 H GLY 35 H GLY 35 15.777 4.590 4.520
270 1HA GLY 35 1HA GLY 35 17.541 3.902 5.877
271 2HA GLY 35 2HA GLY 35 16.419 3.584 7.204
272 H ASN 36 H ASN 36 14.717 1.757 6.357
273 HA ASN 36 HA ASN 36 16.317 -0.642 6.366
274 1HB ASN 36 1HB ASN 36 14.449 -0.882 7.687
275 2HB ASN 36 2HB ASN 36 13.406 0.052 6.622
276 1HD2 ASN 36 2HD2 ASN 36 11.846 -2.851 5.441
277 2HD2 ASN 36 1HD2 ASN 36 11.701 -1.241 6.060
278 H ALA 37 H ALA 37 17.147 -1.570 4.613
279 HA ALA 37 HA ALA 37 15.809 -1.259 1.985
280 1HB ALA 37 2HB ALA 37 18.120 -0.424 2.235
281 2HB ALA 37 3HB ALA 37 18.656 -2.075 2.638
282 3HB ALA 37 1HB ALA 37 17.953 -1.721 1.043
283 H ALA 38 H ALA 38 16.397 -3.691 4.376
284 HA ALA 38 HA ALA 38 16.598 -5.947 2.639
285 1HB ALA 38 1HB ALA 38 15.485 -5.789 5.487
286 2HB ALA 38 2HB ALA 38 15.872 -7.283 4.622
287 3HB ALA 38 3HB ALA 38 17.162 -6.150 5.018
288 H LYS 39 H LYS 39 13.752 -4.805 4.497
289 HA LYS 39 HA LYS 39 11.977 -6.424 2.919
290 1HB LYS 39 1HB LYS 39 11.866 -4.843 5.336
291 2HB LYS 39 2HB LYS 39 10.529 -4.351 4.302
292 1HG LYS 39 1HG LYS 39 11.143 -7.313 4.665
293 2HG LYS 39 2HG LYS 39 10.376 -6.447 5.977
294 1HD LYS 39 1HD LYS 39 9.119 -5.899 3.325
295 2HD LYS 39 2HD LYS 39 9.033 -7.590 3.801
296 1HE LYS 39 1HE LYS 39 8.449 -5.472 5.869
297 2HE LYS 39 2HE LYS 39 7.213 -5.807 4.646
298 1HZ LYS 39 1HZ LYS 39 8.375 -8.121 5.951
299 2HZ LYS 39 2HZ LYS 39 7.352 -7.224 6.870
300 3HZ LYS 39 3HZ LYS 39 6.866 -7.890 5.428
301 H ARG 40 H ARG 40 13.270 -3.267 2.424
302 HA ARG 40 HA ARG 40 11.453 -2.419 0.359
303 1HB ARG 40 1HB ARG 40 13.355 -1.108 1.533
304 2HB ARG 40 2HB ARG 40 14.426 -1.823 0.349
305 1HG ARG 40 1HG ARG 40 11.908 -0.267 -0.398
306 2HG ARG 40 2HG ARG 40 13.422 0.530 -0.037
307 1HD ARG 40 1HD ARG 40 12.851 -1.326 -2.372
308 2HD ARG 40 2HD ARG 40 13.221 0.383 -2.434
309 HE ARG 40 HE ARG 40 15.088 -1.796 -2.377
310 1HH1 ARG 40 2HH2 ARG 40 14.912 1.646 -1.475
311 2HH1 ARG 40 1HH2 ARG 40 16.539 1.689 -0.858
312 1HH2 ARG 40 2HH1 ARG 40 17.240 -1.630 -1.925
313 2HH2 ARG 40 1HH1 ARG 40 17.973 -0.149 -1.371
314 H GLU 41 H GLU 41 14.473 -4.445 0.232
315 HA GLU 41 HA GLU 41 14.218 -4.928 -2.549
316 1HB GLU 41 1HB GLU 41 16.310 -5.225 -1.290
317 2HB GLU 41 2HB GLU 41 15.623 -6.620 -0.455
318 1HG GLU 41 1HG GLU 41 16.030 -8.003 -2.196
319 2HG GLU 41 2HG GLU 41 15.275 -6.915 -3.346
320 H GLU 42 H GLU 42 12.958 -6.787 0.279
321 HA GLU 42 HA GLU 42 11.866 -9.009 -1.022
322 1HB GLU 42 1HB GLU 42 11.783 -8.737 1.400
323 2HB GLU 42 2HB GLU 42 10.740 -7.335 1.248
324 1HG GLU 42 1HG GLU 42 9.407 -9.155 1.996
325 2HG GLU 42 2HG GLU 42 8.898 -8.727 0.377
326 H MET 43 H MET 43 10.307 -5.819 -0.609
327 HA MET 43 HA MET 43 7.904 -6.335 -1.938
328 1HB MET 43 1HB MET 43 8.102 -4.478 -0.638
329 2HB MET 43 2HB MET 43 9.533 -3.865 -1.443
330 1HG MET 43 1HG MET 43 6.894 -4.009 -2.906
331 2HG MET 43 2HG MET 43 7.257 -2.676 -1.812
332 1HE MET 43 2HE MET 43 8.798 -0.715 -2.234
333 2HE MET 43 3HE MET 43 10.164 -1.839 -2.062
334 3HE MET 43 1HE MET 43 10.118 -0.707 -3.422
335 H ILE 44 H ILE 44 11.068 -5.586 -3.373
336 HA ILE 44 HA ILE 44 10.140 -4.899 -5.981
337 HB ILE 44 HB ILE 44 12.721 -6.297 -5.223
338 1HG1 ILE 44 1HG1 ILE 44 12.065 -3.322 -5.289
339 2HG1 ILE 44 2HG1 ILE 44 12.465 -4.289 -3.890
340 1HG2 ILE 44 3HG2 ILE 44 12.190 -6.270 -7.680
341 2HG2 ILE 44 1HG2 ILE 44 12.102 -4.484 -7.595
342 3HG2 ILE 44 2HG2 ILE 44 13.624 -5.336 -7.285
343 1HD1 ILE 44 2HD1 ILE 44 14.747 -4.719 -4.823
344 2HD1 ILE 44 3HD1 ILE 44 14.377 -3.539 -6.101
345 3HD1 ILE 44 1HD1 ILE 44 14.395 -3.026 -4.412
346 H LYS 45 H LYS 45 10.981 -8.107 -4.504
347 HA LYS 45 HA LYS 45 10.241 -9.611 -6.871
348 1HB LYS 45 1HB LYS 45 11.368 -10.272 -4.330
349 2HB LYS 45 2HB LYS 45 9.807 -11.061 -4.352
350 1HG LYS 45 1HG LYS 45 11.286 -12.638 -5.281
351 2HG LYS 45 2HG LYS 45 10.404 -11.984 -6.667
352 1HD LYS 45 1HD LYS 45 12.410 -10.400 -7.033
353 2HD LYS 45 2HD LYS 45 13.219 -11.267 -5.727
354 1HE LYS 45 1HE LYS 45 14.047 -12.300 -7.652
355 2HE LYS 45 2HE LYS 45 12.810 -13.420 -7.073
356 1HZ LYS 45 1HZ LYS 45 11.296 -12.455 -8.759
357 2HZ LYS 45 2HZ LYS 45 12.499 -11.461 -9.278
358 3HZ LYS 45 3HZ LYS 45 12.654 -13.076 -9.440
359 H ARG 46 H ARG 46 8.535 -8.673 -3.874
360 HA ARG 46 HA ARG 46 6.133 -10.091 -4.453
361 1HB ARG 46 1HB ARG 46 6.367 -7.527 -2.849
362 2HB ARG 46 2HB ARG 46 5.104 -8.726 -2.716
363 1HG ARG 46 1HG ARG 46 7.850 -9.742 -2.138
364 2HG ARG 46 2HG ARG 46 7.224 -8.513 -1.051
365 1HD ARG 46 1HD ARG 46 6.759 -10.743 -0.189
366 2HD ARG 46 2HD ARG 46 5.279 -9.841 -0.522
367 HE ARG 46 HE ARG 46 4.614 -11.480 -1.891
368 1HH1 ARG 46 2HH2 ARG 46 8.193 -11.873 -1.538
369 2HH1 ARG 46 1HH2 ARG 46 8.218 -13.214 -2.651
370 1HH2 ARG 46 2HH1 ARG 46 4.762 -13.201 -3.394
371 2HH2 ARG 46 1HH1 ARG 46 6.261 -14.050 -3.570
372 H SER 47 H SER 47 7.286 -7.205 -5.985
373 HA SER 47 HA SER 47 4.496 -6.485 -6.784
374 1HB SER 47 1HB SER 47 5.225 -4.205 -6.816
375 2HB SER 47 2HB SER 47 5.547 -4.944 -5.227
376 HG SER 47 HG SER 47 7.653 -4.957 -5.623
377 H GLY 48 H GLY 48 7.867 -6.645 -8.046
378 1HA GLY 48 1HA GLY 48 8.617 -6.454 -10.212
379 2HA GLY 48 2HA GLY 48 6.973 -6.773 -10.790
380 H ARG 49 H ARG 49 7.771 -4.154 -8.521
381 HA ARG 49 HA ARG 49 7.371 -2.136 -10.696
382 1HB ARG 49 1HB ARG 49 6.059 -2.236 -7.985
383 2HB ARG 49 2HB ARG 49 6.544 -0.675 -8.654
384 1HG ARG 49 1HG ARG 49 5.265 -1.400 -10.799
385 2HG ARG 49 2HG ARG 49 4.512 -2.618 -9.737
386 1HD ARG 49 1HD ARG 49 3.901 -0.724 -8.167
387 2HD ARG 49 2HD ARG 49 4.579 0.413 -9.353
388 HE ARG 49 HE ARG 49 2.631 -1.299 -10.588
389 1HH1 ARG 49 2HH2 ARG 49 2.979 1.759 -8.790
390 2HH1 ARG 49 1HH2 ARG 49 1.340 2.233 -9.069
391 1HH2 ARG 49 2HH1 ARG 49 0.555 -0.678 -10.947
392 2HH2 ARG 49 1HH1 ARG 49 -0.082 0.836 -10.416
393 H THR 50 H THR 50 8.510 -2.373 -7.315
394 HA THR 50 HA THR 50 10.450 -1.836 -6.341
395 HB THR 50 HB THR 50 11.388 -1.909 -8.875
396 HG1 THR 50 HG1 THR 50 13.320 -1.968 -7.853
397 1HG2 THR 50 2HG2 THR 50 11.056 0.592 -9.018
398 2HG2 THR 50 3HG2 THR 50 12.218 0.738 -7.673
399 3HG2 THR 50 1HG2 THR 50 12.723 0.007 -9.232
400 H THR 51 H THR 51 8.375 0.527 -7.946
401 HA THR 51 HA THR 51 9.342 2.717 -6.307
402 HB THR 51 HB THR 51 7.246 3.838 -7.284
403 HG1 THR 51 HG1 THR 51 6.145 1.857 -7.588
404 1HG2 THR 51 2HG2 THR 51 9.214 2.547 -9.234
405 2HG2 THR 51 3HG2 THR 51 8.152 3.926 -9.595
406 3HG2 THR 51 1HG2 THR 51 9.434 4.086 -8.381
407 H VAL 52 H VAL 52 8.366 3.635 -4.541
408 HA VAL 52 HA VAL 52 6.138 2.186 -3.183
409 HB VAL 52 HB VAL 52 6.769 3.653 -1.210
410 1HG1 VAL 52 1HG1 VAL 52 7.615 1.372 -1.387
411 2HG1 VAL 52 2HG1 VAL 52 9.035 1.972 -2.298
412 3HG1 VAL 52 3HG1 VAL 52 8.772 2.473 -0.616
413 1HG2 VAL 52 3HG2 VAL 52 9.113 4.462 -2.925
414 2HG2 VAL 52 1HG2 VAL 52 7.786 5.516 -2.367
415 3HG2 VAL 52 2HG2 VAL 52 8.888 4.775 -1.199
416 HA PRO 53 HA PRO 53 4.874 2.953 -1.278
417 1HB PRO 53 1HB PRO 53 2.321 3.330 -0.622
418 2HB PRO 53 2HB PRO 53 3.505 4.631 -0.292
419 1HG PRO 53 1HG PRO 53 1.640 4.348 -2.680
420 2HG PRO 53 2HG PRO 53 1.853 5.779 -1.638
421 1HD PRO 53 1HD PRO 53 3.166 5.387 -4.016
422 2HD PRO 53 2HD PRO 53 3.909 6.327 -2.684
423 H GLN 54 H GLN 54 3.405 1.049 -1.021
424 HA GLN 54 HA GLN 54 1.766 0.377 -3.362
425 1HB GLN 54 1HB GLN 54 3.924 -1.530 -2.354
426 2HB GLN 54 2HB GLN 54 2.669 -1.864 -3.557
427 1HG GLN 54 1HG GLN 54 3.697 -0.054 -5.019
428 2HG GLN 54 2HG GLN 54 5.000 0.082 -3.811
429 1HE2 GLN 54 2HE2 GLN 54 6.721 -2.380 -5.666
430 2HE2 GLN 54 1HE2 GLN 54 6.575 -0.636 -5.371
431 H ILE 55 H ILE 55 0.141 -1.327 -2.748
432 HA ILE 55 HA ILE 55 -0.048 -1.613 0.168
433 HB ILE 55 HB ILE 55 -2.229 -1.170 -1.914
434 1HG1 ILE 55 1HG1 ILE 55 -2.826 0.764 -0.345
435 2HG1 ILE 55 2HG1 ILE 55 -1.235 0.608 0.344
436 1HG2 ILE 55 3HG2 ILE 55 -2.926 -2.759 -0.136
437 2HG2 ILE 55 1HG2 ILE 55 -2.473 -1.580 1.102
438 3HG2 ILE 55 2HG2 ILE 55 -3.809 -1.250 -0.006
439 1HD1 ILE 55 1HD1 ILE 55 -1.701 1.134 -2.624
440 2HD1 ILE 55 2HD1 ILE 55 -1.598 2.428 -1.415
441 3HD1 ILE 55 3HD1 ILE 55 -0.205 1.399 -1.698
442 H PHE 56 H PHE 56 -0.754 -3.660 0.777
443 HA PHE 56 HA PHE 56 -1.127 -5.722 -1.293
444 1HB PHE 56 1HB PHE 56 0.662 -5.905 1.169
445 2HB PHE 56 2HB PHE 56 -0.020 -7.308 0.355
446 HD1 PHE 56 HD1 PHE 56 2.140 -4.291 -0.325
447 HD2 PHE 56 HD2 PHE 56 1.088 -8.322 -1.440
448 HE1 PHE 56 HE1 PHE 56 3.933 -4.288 -2.057
449 HE2 PHE 56 HE2 PHE 56 2.889 -8.327 -3.124
450 HZ PHE 56 HZ PHE 56 4.291 -6.294 -3.473
451 H ILE 57 H ILE 57 -2.824 -7.083 -0.741
452 HA ILE 57 HA ILE 57 -4.079 -6.803 1.934
453 HB ILE 57 HB ILE 57 -5.690 -6.292 -0.610
454 1HG1 ILE 57 1HG1 ILE 57 -4.941 -4.451 1.694
455 2HG1 ILE 57 2HG1 ILE 57 -4.413 -4.325 0.027
456 1HG2 ILE 57 3HG2 ILE 57 -6.600 -6.504 2.296
457 2HG2 ILE 57 1HG2 ILE 57 -7.629 -5.980 0.944
458 3HG2 ILE 57 2HG2 ILE 57 -7.013 -7.610 0.972
459 1HD1 ILE 57 1HD1 ILE 57 -6.796 -3.900 -0.659
460 2HD1 ILE 57 2HD1 ILE 57 -7.190 -3.778 1.074
461 3HD1 ILE 57 3HD1 ILE 57 -6.034 -2.651 0.351
462 H ASP 58 H ASP 58 -5.218 -8.808 2.421
463 HA ASP 58 HA ASP 58 -5.381 -11.072 2.333
464 1HB ASP 58 1HB ASP 58 -6.340 -10.242 -0.365
465 2HB ASP 58 2HB ASP 58 -6.237 -11.953 0.023
466 H ALA 59 H ALA 59 -2.873 -9.940 1.947
467 HA ALA 59 HA ALA 59 -0.696 -10.446 1.671
468 1HB ALA 59 3HB ALA 59 -1.349 -12.612 2.729
469 2HB ALA 59 1HB ALA 59 -1.512 -13.306 1.096
470 3HB ALA 59 2HB ALA 59 0.061 -12.719 1.654
471 H GLN 60 H GLN 60 -2.576 -9.878 -0.779
472 HA GLN 60 HA GLN 60 -0.616 -10.632 -2.885
473 1HB GLN 60 1HB GLN 60 -2.560 -10.515 -4.443
474 2HB GLN 60 2HB GLN 60 -2.563 -11.894 -3.313
475 1HG GLN 60 1HG GLN 60 -4.191 -10.792 -1.912
476 2HG GLN 60 2HG GLN 60 -4.164 -9.352 -2.964
477 1HE2 GLN 60 2HE2 GLN 60 -7.053 -11.846 -3.523
478 2HE2 GLN 60 1HE2 GLN 60 -6.089 -11.742 -2.069
479 H HIS 61 H HIS 61 -0.204 -9.166 -4.443
480 HA HIS 61 HA HIS 61 0.015 -6.511 -3.482
481 1HB HIS 61 1HB HIS 61 1.663 -7.767 -4.961
482 2HB HIS 61 2HB HIS 61 0.465 -7.846 -6.231
483 HD1 HIS 61 HD1 HIS 61 1.345 -6.395 -8.123
484 HD2 HIS 61 HD2 HIS 61 1.939 -4.774 -4.257
485 HE1 HIS 61 HE1 HIS 61 2.775 -4.279 -8.427
486 HE2 HIS 61 HE2 HIS 61 3.043 -3.255 -6.046
487 H ILE 62 H ILE 62 -1.205 -4.699 -3.797
488 HA ILE 62 HA ILE 62 -3.548 -4.768 -5.528
489 HB ILE 62 HB ILE 62 -2.190 -2.372 -4.211
490 1HG1 ILE 62 1HG1 ILE 62 -2.794 -3.691 -2.395
491 2HG1 ILE 62 2HG1 ILE 62 -4.098 -2.538 -2.551
492 1HG2 ILE 62 3HG2 ILE 62 -4.984 -2.664 -5.385
493 2HG2 ILE 62 1HG2 ILE 62 -4.380 -1.270 -4.466
494 3HG2 ILE 62 2HG2 ILE 62 -3.669 -1.663 -6.026
495 1HD1 ILE 62 1HD1 ILE 62 -5.455 -4.290 -3.782
496 2HD1 ILE 62 2HD1 ILE 62 -4.185 -5.467 -3.347
497 3HD1 ILE 62 3HD1 ILE 62 -5.114 -4.648 -2.096
498 H GLY 63 H GLY 63 -0.433 -3.001 -5.584
499 1HA GLY 63 1HA GLY 63 0.449 -3.036 -8.145
500 2HA GLY 63 2HA GLY 63 -0.991 -2.022 -8.297
501 H GLY 64 H GLY 64 -1.220 -0.156 -6.842
502 1HA GLY 64 1HA GLY 64 1.032 0.991 -5.464
503 2HA GLY 64 2HA GLY 64 0.758 1.645 -7.084
504 H TYR 65 H TYR 65 0.371 3.590 -5.669
505 HA TYR 65 HA TYR 65 -2.061 3.830 -4.079
506 1HB TYR 65 1HB TYR 65 -0.184 5.429 -3.736
507 2HB TYR 65 2HB TYR 65 -0.242 5.891 -5.432
508 HD1 TYR 65 HD2 TYR 65 -2.616 5.601 -2.516
509 HD2 TYR 65 HD1 TYR 65 -1.415 7.880 -5.983
510 HE1 TYR 65 HE2 TYR 65 -4.267 7.338 -1.944
511 HE2 TYR 65 HE1 TYR 65 -3.096 9.597 -5.418
512 HH TYR 65 HH TYR 65 -5.082 9.967 -4.153
513 H ASP 66 H ASP 66 -1.270 4.894 -7.425
514 HA ASP 66 HA ASP 66 -3.794 6.105 -7.892
515 1HB ASP 66 1HB ASP 66 -2.179 4.691 -10.049
516 2HB ASP 66 2HB ASP 66 -3.252 6.064 -10.219
517 H ASP 67 H ASP 67 -2.544 2.868 -8.357
518 HA ASP 67 HA ASP 67 -4.859 1.660 -9.527
519 1HB ASP 67 1HB ASP 67 -2.484 0.477 -8.039
520 2HB ASP 67 2HB ASP 67 -3.760 -0.501 -8.777
521 H LEU 68 H LEU 68 -3.715 1.874 -6.099
522 HA LEU 68 HA LEU 68 -5.768 0.353 -4.929
523 1HB LEU 68 1HB LEU 68 -3.749 1.186 -3.690
524 2HB LEU 68 2HB LEU 68 -4.412 2.816 -3.771
525 HG LEU 68 HG LEU 68 -6.558 1.722 -2.621
526 1HD1 LEU 68 1HD1 LEU 68 -4.366 -0.277 -2.025
527 2HD1 LEU 68 2HD1 LEU 68 -5.836 -0.119 -1.049
528 3HD1 LEU 68 3HD1 LEU 68 -5.956 -0.591 -2.748
529 1HD2 LEU 68 2HD2 LEU 68 -4.033 2.342 -1.116
530 2HD2 LEU 68 3HD2 LEU 68 -5.305 3.455 -1.619
531 3HD2 LEU 68 1HD2 LEU 68 -5.677 2.197 -0.435
532 H TYR 69 H TYR 69 -5.647 3.858 -5.570
533 HA TYR 69 HA TYR 69 -8.220 4.487 -4.558
534 1HB TYR 69 1HB TYR 69 -6.489 6.150 -5.380
535 2HB TYR 69 2HB TYR 69 -6.876 5.714 -7.025
536 HD1 TYR 69 HD1 TYR 69 -9.631 5.877 -7.560
537 HD2 TYR 69 HD2 TYR 69 -7.388 8.212 -4.682
538 HE1 TYR 69 HE1 TYR 69 -11.319 7.618 -7.673
539 HE2 TYR 69 HE2 TYR 69 -9.082 9.989 -4.827
540 HH TYR 69 HH TYR 69 -10.979 10.771 -6.031
541 H ALA 70 H ALA 70 -7.322 3.440 -7.854
542 HA ALA 70 HA ALA 70 -10.048 3.465 -8.816
543 1HB ALA 70 2HB ALA 70 -8.104 3.586 -10.341
544 2HB ALA 70 3HB ALA 70 -7.615 1.943 -9.866
545 3HB ALA 70 1HB ALA 70 -9.141 2.205 -10.738
546 H LEU 71 H LEU 71 -8.016 1.033 -7.290
547 HA LEU 71 HA LEU 71 -9.750 -1.214 -7.686
548 1HB LEU 71 1HB LEU 71 -7.291 -1.341 -7.349
549 2HB LEU 71 2HB LEU 71 -7.487 -0.809 -5.696
550 HG LEU 71 HG LEU 71 -7.144 -3.313 -6.265
551 1HD1 LEU 71 1HD1 LEU 71 -9.064 -2.343 -4.260
552 2HD1 LEU 71 2HD1 LEU 71 -8.391 -3.997 -4.271
553 3HD1 LEU 71 3HD1 LEU 71 -7.335 -2.589 -4.072
554 1HD2 LEU 71 2HD2 LEU 71 -8.856 -3.639 -7.917
555 2HD2 LEU 71 3HD2 LEU 71 -9.061 -4.714 -6.533
556 3HD2 LEU 71 1HD2 LEU 71 -10.113 -3.297 -6.711
557 H ASP 72 H ASP 72 -9.402 1.264 -5.103
558 HA ASP 72 HA ASP 72 -11.376 0.015 -3.371
559 1HB ASP 72 1HB ASP 72 -9.827 1.850 -2.562
560 2HB ASP 72 2HB ASP 72 -10.715 2.982 -3.565
561 H ALA 73 H ALA 73 -11.505 2.816 -5.510
562 HA ALA 73 HA ALA 73 -14.180 3.293 -5.372
563 1HB ALA 73 2HB ALA 73 -12.562 4.840 -6.391
564 2HB ALA 73 3HB ALA 73 -12.383 3.741 -7.776
565 3HB ALA 73 1HB ALA 73 -13.925 4.581 -7.502
566 H ARG 74 H ARG 74 -12.888 0.773 -7.407
567 HA ARG 74 HA ARG 74 -15.402 0.308 -8.814
568 1HB ARG 74 1HB ARG 74 -14.325 -1.670 -9.613
569 2HB ARG 74 2HB ARG 74 -13.220 -0.323 -9.771
570 1HG ARG 74 1HG ARG 74 -11.860 -1.108 -7.986
571 2HG ARG 74 2HG ARG 74 -13.027 -2.251 -7.395
572 1HD ARG 74 1HD ARG 74 -12.033 -2.607 -10.209
573 2HD ARG 74 2HD ARG 74 -10.995 -3.045 -8.844
574 HE ARG 74 HE ARG 74 -13.638 -4.144 -8.495
575 1HH1 ARG 74 2HH2 ARG 74 -10.780 -4.587 -10.556
576 2HH1 ARG 74 1HH2 ARG 74 -11.088 -6.280 -10.836
577 1HH2 ARG 74 2HH1 ARG 74 -13.784 -6.420 -8.515
578 2HH2 ARG 74 1HH1 ARG 74 -13.052 -7.266 -9.835
579 H GLY 75 H GLY 75 -14.147 -0.534 -5.717
580 1HA GLY 75 1HA GLY 75 -15.116 -1.749 -4.003
581 2HA GLY 75 2HA GLY 75 -16.246 -2.504 -5.136
582 H GLY 76 H GLY 76 -12.488 -2.393 -4.905
583 1HA GLY 76 1HA GLY 76 -12.666 -5.352 -4.629
584 2HA GLY 76 2HA GLY 76 -11.481 -4.544 -5.634
585 H LEU 77 H LEU 77 -11.350 -2.296 -3.449
586 HA LEU 77 HA LEU 77 -9.436 -3.587 -1.643
587 1HB LEU 77 1HB LEU 77 -9.264 -1.161 -2.477
588 2HB LEU 77 2HB LEU 77 -10.603 -0.759 -1.447
589 HG LEU 77 HG LEU 77 -7.849 -1.657 -0.652
590 1HD1 LEU 77 3HD1 LEU 77 -8.185 0.690 -1.339
591 2HD1 LEU 77 1HD1 LEU 77 -9.415 0.880 -0.088
592 3HD1 LEU 77 2HD1 LEU 77 -7.738 0.564 0.377
593 1HD2 LEU 77 1HD2 LEU 77 -10.205 -1.199 1.230
594 2HD2 LEU 77 2HD2 LEU 77 -9.263 -2.695 1.052
595 3HD2 LEU 77 3HD2 LEU 77 -8.509 -1.261 1.739
596 H ASP 78 H ASP 78 -12.376 -1.667 -1.232
597 HA ASP 78 HA ASP 78 -12.905 -2.110 1.409
598 1HB ASP 78 1HB ASP 78 -13.875 -0.361 0.115
599 2HB ASP 78 2HB ASP 78 -14.748 -1.484 -0.910
600 HA PRO 79 HA PRO 79 -15.790 -5.840 0.636
601 1HB PRO 79 1HB PRO 79 -15.638 -7.227 -1.752
602 2HB PRO 79 2HB PRO 79 -16.829 -5.946 -1.366
603 1HG PRO 79 1HG PRO 79 -14.254 -5.755 -2.906
604 2HG PRO 79 2HG PRO 79 -15.875 -5.043 -3.263
605 1HD PRO 79 1HD PRO 79 -13.894 -3.581 -2.137
606 2HD PRO 79 2HD PRO 79 -15.606 -3.368 -1.663
607 H LEU 80 H LEU 80 -12.438 -5.751 0.077
608 HA LEU 80 HA LEU 80 -12.126 -8.624 0.906
609 1HB LEU 80 1HB LEU 80 -10.028 -6.613 -0.009
610 2HB LEU 80 2HB LEU 80 -9.693 -8.221 0.622
611 HG LEU 80 HG LEU 80 -11.154 -7.588 -1.962
612 1HD1 LEU 80 2HD1 LEU 80 -8.420 -8.813 -1.355
613 2HD1 LEU 80 3HD1 LEU 80 -9.125 -8.651 -2.975
614 3HD1 LEU 80 1HD1 LEU 80 -8.729 -7.191 -2.038
615 1HD2 LEU 80 3HD2 LEU 80 -10.469 -10.297 -0.761
616 2HD2 LEU 80 1HD2 LEU 80 -12.096 -9.643 -1.049
617 3HD2 LEU 80 2HD2 LEU 80 -11.049 -10.008 -2.419
618 H LEU 81 H LEU 81 -11.712 -5.245 1.847
619 HA LEU 81 HA LEU 81 -10.324 -5.709 4.317
620 1HB LEU 81 1HB LEU 81 -10.276 -3.516 3.365
621 2HB LEU 81 2HB LEU 81 -12.029 -3.457 3.220
622 HG LEU 81 HG LEU 81 -12.258 -3.399 5.707
623 1HD1 LEU 81 1HD1 LEU 81 -9.220 -3.143 5.695
624 2HD1 LEU 81 2HD1 LEU 81 -10.288 -2.901 7.094
625 3HD1 LEU 81 3HD1 LEU 81 -10.144 -4.498 6.368
626 1HD2 LEU 81 2HD2 LEU 81 -10.554 -1.264 4.398
627 2HD2 LEU 81 3HD2 LEU 81 -12.319 -1.378 4.390
628 3HD2 LEU 81 1HD2 LEU 81 -11.481 -1.076 5.917
629 H LYS 82 H LYS 82 -13.817 -5.089 3.583
630 HA LYS 82 HA LYS 82 -14.608 -5.109 6.252
631 1HB LYS 82 1HB LYS 82 -16.812 -4.945 5.345
632 2HB LYS 82 2HB LYS 82 -15.714 -4.041 4.325
633 1HG LYS 82 1HG LYS 82 -16.864 -5.065 2.665
634 2HG LYS 82 2HG LYS 82 -15.656 -6.315 2.925
635 1HD LYS 82 1HD LYS 82 -17.640 -7.074 4.737
636 2HD LYS 82 2HD LYS 82 -18.587 -6.285 3.478
637 1HE LYS 82 1HE LYS 82 -18.474 -8.520 2.735
638 2HE LYS 82 2HE LYS 82 -17.210 -7.712 1.799
639 1HZ LYS 82 2HZ LYS 82 -15.659 -8.512 3.634
640 2HZ LYS 82 3HZ LYS 82 -16.878 -9.417 4.177
641 3HZ LYS 82 1HZ LYS 82 -16.293 -9.686 2.654
642 1HB2 GTT 83 1HB2 GTT 83 8.561 7.237 -3.671
643 2HB2 GTT 83 2HB2 GTT 83 9.892 8.354 -3.961
644 HA2 GTT 83 HA2 GTT 83 9.703 8.104 -6.300
645 HN2 GTT 83 HN2 GTT 83 7.234 6.491 -5.989
646 1HG1 GTT 83 1HG1 GTT 83 5.266 8.074 -7.367
647 2HG1 GTT 83 2HG1 GTT 83 5.937 6.537 -7.943
648 1HB1 GTT 83 1HB1 GTT 83 6.701 8.594 -9.825
649 2HB1 GTT 83 2HB1 GTT 83 5.040 8.925 -9.356
650 HA1 GTT 83 HA1 GTT 83 4.618 6.387 -9.808
651 1HN1 GTT 83 1HN1 GTT 83 6.540 6.546 -11.863
652 2HN1 GTT 83 2HN1 GTT 83 7.282 6.433 -10.411
653 3HN1 GTT 83 3HN1 GTT 83 6.161 5.274 -10.883
654 HN3 GTT 83 HN3 GTT 83 11.592 6.892 -5.564
655 1HA3 GTT 83 1HA3 GTT 83 11.212 3.930 -5.459
656 2HA3 GTT 83 2HA3 GTT 83 12.718 4.777 -5.914
No H/Q in entry = 656
Start of MODEL 16
1 1H ALA 1 2H ALA 1 -7.563 -10.784 5.336
2 2H ALA 1 3H ALA 1 -7.704 -11.580 6.789
3 3H ALA 1 1H ALA 1 -8.897 -10.556 6.257
4 HA ALA 1 HA ALA 1 -7.563 -8.689 6.437
5 1HB ALA 1 2HB ALA 1 -7.590 -10.340 8.956
6 2HB ALA 1 3HB ALA 1 -7.275 -8.584 8.863
7 3HB ALA 1 1HB ALA 1 -8.843 -9.227 8.356
8 H ASN 2 H ASN 2 -5.634 -8.543 5.242
9 HA ASN 2 HA ASN 2 -3.438 -8.264 7.113
10 1HB ASN 2 1HB ASN 2 -3.148 -10.533 6.076
11 2HB ASN 2 2HB ASN 2 -3.034 -9.811 4.506
12 1HD2 ASN 2 2HD2 ASN 2 0.205 -8.293 4.932
13 2HD2 ASN 2 1HD2 ASN 2 -1.371 -8.035 4.207
14 H VAL 3 H VAL 3 -4.059 -5.947 6.695
15 HA VAL 3 HA VAL 3 -3.569 -5.002 3.913
16 HB VAL 3 HB VAL 3 -4.769 -3.596 6.324
17 1HG1 VAL 3 3HG1 VAL 3 -3.678 -2.021 4.714
18 2HG1 VAL 3 1HG1 VAL 3 -4.627 -2.710 3.395
19 3HG1 VAL 3 2HG1 VAL 3 -5.441 -1.848 4.721
20 1HG2 VAL 3 2HG2 VAL 3 -6.165 -5.483 5.166
21 2HG2 VAL 3 3HG2 VAL 3 -6.890 -3.897 5.411
22 3HG2 VAL 3 1HG2 VAL 3 -6.282 -4.361 3.811
23 H GLU 4 H GLU 4 -1.389 -4.777 3.610
24 HA GLU 4 HA GLU 4 0.104 -3.181 5.648
25 1HB GLU 4 1HB GLU 4 1.179 -5.289 3.744
26 2HB GLU 4 2HB GLU 4 2.168 -4.199 4.685
27 1HG GLU 4 1HG GLU 4 1.487 -5.183 6.768
28 2HG GLU 4 2HG GLU 4 0.172 -6.077 6.012
29 H ILE 5 H ILE 5 0.796 -1.235 4.862
30 HA ILE 5 HA ILE 5 0.831 -0.786 1.929
31 HB ILE 5 HB ILE 5 -1.006 0.511 2.487
32 1HG1 ILE 5 1HG1 ILE 5 1.417 2.353 2.577
33 2HG1 ILE 5 2HG1 ILE 5 0.796 1.609 1.123
34 1HG2 ILE 5 3HG2 ILE 5 -0.816 0.466 4.960
35 2HG2 ILE 5 1HG2 ILE 5 0.451 1.700 4.859
36 3HG2 ILE 5 2HG2 ILE 5 -1.214 2.058 4.346
37 1HD1 ILE 5 1HD1 ILE 5 -0.721 3.629 2.823
38 2HD1 ILE 5 2HD1 ILE 5 0.202 4.016 1.377
39 3HD1 ILE 5 3HD1 ILE 5 -1.237 2.985 1.255
40 H TYR 6 H TYR 6 2.821 -0.605 1.300
41 HA TYR 6 HA TYR 6 5.042 -0.388 3.206
42 1HB TYR 6 1HB TYR 6 4.712 -0.933 0.227
43 2HB TYR 6 2HB TYR 6 6.265 -0.589 0.952
44 HD1 TYR 6 HD2 TYR 6 3.345 -2.966 1.453
45 HD2 TYR 6 HD1 TYR 6 7.587 -2.283 1.719
46 HE1 TYR 6 HE2 TYR 6 3.690 -5.352 2.019
47 HE2 TYR 6 HE1 TYR 6 7.948 -4.656 2.244
48 HH TYR 6 HH TYR 6 5.257 -7.014 2.578
49 H THR 7 H THR 7 6.211 1.511 3.504
50 HA THR 7 HA THR 7 5.676 3.769 1.701
51 HB THR 7 HB THR 7 5.287 5.205 3.736
52 HG1 THR 7 HG1 THR 7 4.774 4.154 5.678
53 1HG2 THR 7 3HG2 THR 7 3.430 4.140 2.299
54 2HG2 THR 7 1HG2 THR 7 3.255 2.966 3.591
55 3HG2 THR 7 2HG2 THR 7 2.967 4.692 3.916
56 H LYS 8 H LYS 8 7.186 5.652 2.180
57 HA LYS 8 HA LYS 8 9.666 4.902 3.593
58 1HB LYS 8 1HB LYS 8 11.029 5.642 1.665
59 2HB LYS 8 2HB LYS 8 10.100 4.197 1.307
60 1HG LYS 8 1HG LYS 8 8.544 5.418 -0.054
61 2HG LYS 8 2HG LYS 8 9.148 6.983 0.490
62 1HD LYS 8 1HD LYS 8 10.954 5.007 -0.920
63 2HD LYS 8 2HD LYS 8 9.912 6.101 -1.835
64 1HE LYS 8 1HE LYS 8 11.017 8.019 -1.179
65 2HE LYS 8 2HE LYS 8 11.627 7.289 0.309
66 1HZ LYS 8 3HZ LYS 8 12.646 6.495 -2.355
67 2HZ LYS 8 1HZ LYS 8 13.307 7.651 -1.433
68 3HZ LYS 8 2HZ LYS 8 13.223 6.087 -0.866
69 H GLU 9 H GLU 9 11.168 6.827 3.553
70 HA GLU 9 HA GLU 9 9.939 9.223 4.538
71 1HB GLU 9 1HB GLU 9 12.189 8.098 5.165
72 2HB GLU 9 2HB GLU 9 12.799 8.673 3.618
73 1HG GLU 9 1HG GLU 9 13.585 10.202 5.192
74 2HG GLU 9 2HG GLU 9 12.237 11.041 4.445
75 H THR 10 H THR 10 10.340 11.352 3.507
76 HA THR 10 HA THR 10 9.658 12.720 1.918
77 HB THR 10 HB THR 10 12.066 12.789 1.875
78 HG1 THR 10 HG1 THR 10 12.123 14.106 0.149
79 1HG2 THR 10 2HG2 THR 10 12.630 10.639 0.755
80 2HG2 THR 10 3HG2 THR 10 12.036 11.312 -0.775
81 3HG2 THR 10 1HG2 THR 10 13.409 12.062 0.045
82 H CYS 11 H CYS 11 7.689 11.404 1.766
83 HA CYS 11 HA CYS 11 7.239 10.911 -1.093
84 1HB CYS 11 1HB CYS 11 8.034 8.762 -0.125
85 2HB CYS 11 2HB CYS 11 6.646 8.760 0.974
86 HA PRO 12 HA PRO 12 3.643 13.180 0.772
87 1HB PRO 12 1HB PRO 12 4.057 14.257 -1.959
88 2HB PRO 12 2HB PRO 12 3.440 15.139 -0.525
89 1HG PRO 12 1HG PRO 12 6.027 15.484 -1.280
90 2HG PRO 12 2HG PRO 12 5.643 15.229 0.451
91 1HD PRO 12 1HD PRO 12 6.745 13.263 -1.538
92 2HD PRO 12 2HD PRO 12 7.146 13.479 0.177
93 H TYR 13 H TYR 13 4.261 11.850 -2.573
94 HA TYR 13 HA TYR 13 1.571 11.293 -3.265
95 1HB TYR 13 1HB TYR 13 3.576 11.304 -4.739
96 2HB TYR 13 2HB TYR 13 4.224 9.901 -3.907
97 HD1 TYR 13 HD1 TYR 13 3.366 7.671 -4.334
98 HD2 TYR 13 HD2 TYR 13 1.901 11.105 -6.467
99 HE1 TYR 13 HE1 TYR 13 2.268 6.176 -5.992
100 HE2 TYR 13 HE2 TYR 13 0.763 9.644 -8.085
101 HH TYR 13 HH TYR 13 0.033 7.458 -8.454
102 H SER 14 H SER 14 3.682 9.528 -1.016
103 HA SER 14 HA SER 14 1.739 7.337 -0.758
104 1HB SER 14 1HB SER 14 4.036 6.844 -0.345
105 2HB SER 14 2HB SER 14 4.159 8.127 0.895
106 HG SER 14 HG SER 14 2.972 6.899 2.252
107 H HIS 15 H HIS 15 2.571 10.439 0.895
108 HA HIS 15 HA HIS 15 0.679 9.893 3.035
109 1HB HIS 15 1HB HIS 15 1.857 12.530 2.031
110 2HB HIS 15 2HB HIS 15 0.782 12.414 3.408
111 HD1 HIS 15 HD1 HIS 15 1.659 10.872 5.520
112 HD2 HIS 15 HD2 HIS 15 4.447 12.223 2.631
113 HE1 HIS 15 HE1 HIS 15 4.043 10.669 6.558
114 HE2 HIS 15 HE2 HIS 15 5.669 11.499 4.876
115 H ARG 16 H ARG 16 0.334 11.177 -0.185
116 HA ARG 16 HA ARG 16 -2.393 12.039 -0.050
117 1HB ARG 16 1HB ARG 16 -0.420 11.213 -2.196
118 2HB ARG 16 2HB ARG 16 -2.049 11.630 -2.639
119 1HG ARG 16 1HG ARG 16 -1.839 13.805 -1.444
120 2HG ARG 16 2HG ARG 16 -0.215 13.400 -0.947
121 1HD ARG 16 1HD ARG 16 0.415 13.263 -3.396
122 2HD ARG 16 2HD ARG 16 -1.161 13.984 -3.770
123 HE ARG 16 HE ARG 16 1.228 15.280 -2.912
124 1HH1 ARG 16 2HH2 ARG 16 -2.285 15.653 -2.530
125 2HH1 ARG 16 1HH2 ARG 16 -2.178 17.275 -1.987
126 1HH2 ARG 16 2HH1 ARG 16 1.390 17.319 -2.138
127 2HH2 ARG 16 1HH1 ARG 16 -0.007 18.209 -1.565
128 H ALA 17 H ALA 17 -0.976 8.794 -0.926
129 HA ALA 17 HA ALA 17 -3.485 7.447 -0.867
130 1HB ALA 17 3HB ALA 17 -1.188 6.522 -1.622
131 2HB ALA 17 1HB ALA 17 -0.863 6.226 0.090
132 3HB ALA 17 2HB ALA 17 -2.229 5.420 -0.689
133 H LYS 18 H LYS 18 -1.518 8.555 1.777
134 HA LYS 18 HA LYS 18 -2.975 6.957 3.743
135 1HB LYS 18 1HB LYS 18 -1.296 9.430 4.281
136 2HB LYS 18 2HB LYS 18 -1.857 8.265 5.456
137 1HG LYS 18 1HG LYS 18 0.260 7.939 3.377
138 2HG LYS 18 2HG LYS 18 0.364 7.685 5.094
139 1HD LYS 18 1HD LYS 18 -0.971 5.928 2.990
140 2HD LYS 18 2HD LYS 18 0.538 5.622 3.811
141 1HE LYS 18 1HE LYS 18 -2.282 5.333 4.859
142 2HE LYS 18 2HE LYS 18 -0.923 4.208 4.964
143 1HZ LYS 18 2HZ LYS 18 0.075 5.859 6.551
144 2HZ LYS 18 3HZ LYS 18 -1.397 6.638 6.539
145 3HZ LYS 18 1HZ LYS 18 -1.300 5.127 7.086
146 H ALA 19 H ALA 19 -3.324 10.307 2.574
147 HA ALA 19 HA ALA 19 -5.557 10.866 4.328
148 1HB ALA 19 3HB ALA 19 -4.260 12.635 3.186
149 2HB ALA 19 1HB ALA 19 -4.879 12.063 1.610
150 3HB ALA 19 2HB ALA 19 -5.984 12.743 2.828
151 H LEU 20 H LEU 20 -5.269 9.101 1.269
152 HA LEU 20 HA LEU 20 -8.125 8.856 0.833
153 1HB LEU 20 1HB LEU 20 -6.216 8.297 -0.805
154 2HB LEU 20 2HB LEU 20 -5.924 6.847 0.125
155 HG LEU 20 HG LEU 20 -8.397 7.455 -1.530
156 1HD1 LEU 20 2HD1 LEU 20 -5.962 5.650 -1.831
157 2HD1 LEU 20 3HD1 LEU 20 -7.466 5.272 -2.662
158 3HD1 LEU 20 1HD1 LEU 20 -6.678 6.804 -2.991
159 1HD2 LEU 20 2HD2 LEU 20 -7.799 4.939 0.084
160 2HD2 LEU 20 3HD2 LEU 20 -9.166 6.080 0.298
161 3HD2 LEU 20 1HD2 LEU 20 -9.050 5.102 -1.157
162 H LEU 21 H LEU 21 -5.746 6.609 2.358
163 HA LEU 21 HA LEU 21 -7.823 4.836 3.233
164 1HB LEU 21 1HB LEU 21 -4.894 5.245 3.987
165 2HB LEU 21 2HB LEU 21 -5.857 3.996 4.757
166 HG LEU 21 HG LEU 21 -5.684 4.166 1.720
167 1HD1 LEU 21 3HD1 LEU 21 -3.768 2.672 3.544
168 2HD1 LEU 21 1HD1 LEU 21 -3.855 2.538 1.770
169 3HD1 LEU 21 2HD1 LEU 21 -3.385 4.074 2.507
170 1HD2 LEU 21 2HD2 LEU 21 -6.253 1.868 3.648
171 2HD2 LEU 21 3HD2 LEU 21 -7.440 2.699 2.620
172 3HD2 LEU 21 1HD2 LEU 21 -6.165 1.727 1.882
173 H SER 22 H SER 22 -6.451 7.706 4.774
174 HA SER 22 HA SER 22 -7.724 7.114 7.312
175 1HB SER 22 1HB SER 22 -5.624 8.488 7.044
176 2HB SER 22 2HB SER 22 -6.585 9.760 6.279
177 HG SER 22 HG SER 22 -7.470 8.847 8.769
178 H SER 23 H SER 23 -8.679 8.947 4.270
179 HA SER 23 HA SER 23 -11.040 9.995 5.452
180 1HB SER 23 1HB SER 23 -10.064 10.476 3.121
181 2HB SER 23 2HB SER 23 -10.829 8.964 2.598
182 HG SER 23 HG SER 23 -12.254 10.549 2.200
183 H LYS 24 H LYS 24 -10.230 6.817 4.101
184 HA LYS 24 HA LYS 24 -12.853 5.670 4.684
185 1HB LYS 24 1HB LYS 24 -10.211 4.486 3.747
186 2HB LYS 24 2HB LYS 24 -11.735 3.564 3.896
187 1HG LYS 24 1HG LYS 24 -12.816 5.123 2.350
188 2HG LYS 24 2HG LYS 24 -11.337 6.077 2.234
189 1HD LYS 24 1HD LYS 24 -10.179 4.177 1.166
190 2HD LYS 24 2HD LYS 24 -11.701 3.269 1.128
191 1HE LYS 24 1HE LYS 24 -11.593 6.146 0.128
192 2HE LYS 24 2HE LYS 24 -11.011 4.834 -0.896
193 1HZ LYS 24 2HZ LYS 24 -13.762 4.973 0.154
194 2HZ LYS 24 3HZ LYS 24 -13.234 5.344 -1.357
195 3HZ LYS 24 1HZ LYS 24 -13.059 3.811 -0.856
196 H GLY 25 H GLY 25 -10.267 6.446 6.730
197 1HA GLY 25 1HA GLY 25 -9.673 5.848 8.835
198 2HA GLY 25 2HA GLY 25 -11.367 5.380 9.045
199 H VAL 26 H VAL 26 -8.787 3.924 6.969
200 HA VAL 26 HA VAL 26 -9.844 1.302 7.819
201 HB VAL 26 HB VAL 26 -7.488 1.658 5.960
202 1HG1 VAL 26 3HG1 VAL 26 -9.729 -0.400 6.059
203 2HG1 VAL 26 1HG1 VAL 26 -8.408 -0.334 4.871
204 3HG1 VAL 26 2HG1 VAL 26 -8.044 -0.656 6.561
205 1HG2 VAL 26 3HG2 VAL 26 -10.417 2.043 5.251
206 2HG2 VAL 26 1HG2 VAL 26 -9.046 3.138 4.953
207 3HG2 VAL 26 2HG2 VAL 26 -9.178 1.640 4.047
208 H SER 27 H SER 27 -8.651 -0.339 8.816
209 HA SER 27 HA SER 27 -6.289 0.410 10.430
210 1HB SER 27 1HB SER 27 -8.106 -2.015 10.226
211 2HB SER 27 2HB SER 27 -6.532 -2.108 11.041
212 HG SER 27 HG SER 27 -7.151 -0.795 12.550
213 H PHE 28 H PHE 28 -4.252 0.086 9.649
214 HA PHE 28 HA PHE 28 -3.654 -2.052 7.771
215 1HB PHE 28 1HB PHE 28 -2.487 -0.496 6.218
216 2HB PHE 28 2HB PHE 28 -4.229 -0.270 6.208
217 HD1 PHE 28 HD2 PHE 28 -1.041 1.206 7.492
218 HD2 PHE 28 HD1 PHE 28 -5.240 1.815 6.769
219 HE1 PHE 28 HE2 PHE 28 -0.824 3.534 8.256
220 HE2 PHE 28 HE1 PHE 28 -5.035 4.160 7.536
221 HZ PHE 28 HZ PHE 28 -2.877 5.011 8.362
222 H GLN 29 H GLN 29 -1.244 -2.132 7.542
223 HA GLN 29 HA GLN 29 0.183 -1.175 9.937
224 1HB GLN 29 1HB GLN 29 -0.251 -3.769 9.435
225 2HB GLN 29 2HB GLN 29 1.040 -3.561 8.278
226 1HG GLN 29 1HG GLN 29 2.554 -2.763 10.077
227 2HG GLN 29 2HG GLN 29 1.213 -2.808 11.229
228 1HE2 GLN 29 2HE2 GLN 29 2.975 -6.343 10.144
229 2HE2 GLN 29 1HE2 GLN 29 3.520 -4.844 9.414
230 H GLU 30 H GLU 30 0.979 0.640 9.132
231 HA GLU 30 HA GLU 30 1.910 0.886 6.368
232 1HB GLU 30 1HB GLU 30 1.344 2.786 8.381
233 2HB GLU 30 2HB GLU 30 3.111 2.783 8.229
234 1HG GLU 30 1HG GLU 30 2.682 2.891 5.686
235 2HG GLU 30 2HG GLU 30 1.051 3.412 6.124
236 H LEU 31 H LEU 31 3.983 0.459 5.655
237 HA LEU 31 HA LEU 31 5.862 -0.818 7.618
238 1HB LEU 31 1HB LEU 31 5.513 -1.738 4.778
239 2HB LEU 31 2HB LEU 31 6.532 -2.395 6.038
240 HG LEU 31 HG LEU 31 3.536 -2.585 5.688
241 1HD1 LEU 31 2HD1 LEU 31 5.122 -4.168 4.621
242 2HD1 LEU 31 3HD1 LEU 31 5.769 -4.588 6.227
243 3HD1 LEU 31 1HD1 LEU 31 4.090 -4.972 5.821
244 1HD2 LEU 31 2HD2 LEU 31 5.032 -3.406 8.222
245 2HD2 LEU 31 3HD2 LEU 31 3.732 -2.192 8.103
246 3HD2 LEU 31 1HD2 LEU 31 3.372 -3.872 7.759
247 HA PRO 32 HA PRO 32 8.268 2.591 5.755
248 1HB PRO 32 1HB PRO 32 9.839 2.103 8.261
249 2HB PRO 32 2HB PRO 32 9.333 3.637 7.494
250 1HG PRO 32 1HG PRO 32 7.928 2.751 9.638
251 2HG PRO 32 2HG PRO 32 7.074 3.383 8.206
252 1HD PRO 32 1HD PRO 32 7.675 0.452 8.833
253 2HD PRO 32 2HD PRO 32 6.120 1.228 8.439
254 H ILE 33 H ILE 33 9.341 1.831 4.101
255 HA ILE 33 HA ILE 33 11.565 -0.100 4.400
256 HB ILE 33 HB ILE 33 11.244 -0.121 1.811
257 1HG1 ILE 33 1HG1 ILE 33 8.360 0.383 2.460
258 2HG1 ILE 33 2HG1 ILE 33 9.433 1.630 1.788
259 1HG2 ILE 33 3HG2 ILE 33 9.441 -1.503 3.827
260 2HG2 ILE 33 1HG2 ILE 33 9.746 -2.098 2.179
261 3HG2 ILE 33 2HG2 ILE 33 11.087 -1.984 3.296
262 1HD1 ILE 33 3HD1 ILE 33 9.172 -1.036 0.385
263 2HD1 ILE 33 1HD1 ILE 33 8.041 0.276 0.145
264 3HD1 ILE 33 2HD1 ILE 33 9.740 0.537 -0.230
265 H ASP 34 H ASP 34 11.379 3.046 4.729
266 HA ASP 34 HA ASP 34 13.659 3.665 2.956
267 1HB ASP 34 1HB ASP 34 12.360 5.594 3.427
268 2HB ASP 34 2HB ASP 34 12.308 5.251 5.161
269 H GLY 35 H GLY 35 13.079 3.398 6.509
270 1HA GLY 35 1HA GLY 35 15.788 3.289 7.214
271 2HA GLY 35 2HA GLY 35 14.442 2.750 8.220
272 H ASN 36 H ASN 36 13.770 0.770 5.912
273 HA ASN 36 HA ASN 36 15.692 -1.355 6.679
274 1HB ASN 36 1HB ASN 36 14.099 -2.376 7.767
275 2HB ASN 36 2HB ASN 36 12.965 -1.069 7.471
276 1HD2 ASN 36 2HD2 ASN 36 11.188 -2.815 4.971
277 2HD2 ASN 36 1HD2 ASN 36 11.236 -1.458 6.068
278 H ALA 37 H ALA 37 16.736 -1.985 4.930
279 HA ALA 37 HA ALA 37 15.701 -1.451 2.231
280 1HB ALA 37 3HB ALA 37 18.328 -2.619 3.272
281 2HB ALA 37 1HB ALA 37 17.996 -2.239 1.583
282 3HB ALA 37 2HB ALA 37 18.047 -0.931 2.777
283 H ALA 38 H ALA 38 16.112 -4.098 4.441
284 HA ALA 38 HA ALA 38 16.196 -6.286 2.664
285 1HB ALA 38 2HB ALA 38 15.120 -6.045 5.522
286 2HB ALA 38 3HB ALA 38 15.340 -7.585 4.674
287 3HB ALA 38 1HB ALA 38 16.733 -6.562 5.001
288 H LYS 39 H LYS 39 13.312 -5.159 4.496
289 HA LYS 39 HA LYS 39 11.551 -6.775 2.928
290 1HB LYS 39 1HB LYS 39 11.242 -5.601 5.306
291 2HB LYS 39 2HB LYS 39 10.498 -4.335 4.314
292 1HG LYS 39 1HG LYS 39 9.054 -6.189 3.283
293 2HG LYS 39 2HG LYS 39 9.716 -7.268 4.492
294 1HD LYS 39 1HD LYS 39 8.164 -4.680 5.024
295 2HD LYS 39 2HD LYS 39 7.511 -6.301 5.163
296 1HE LYS 39 1HE LYS 39 9.708 -5.059 6.879
297 2HE LYS 39 2HE LYS 39 8.056 -5.442 7.374
298 1HZ LYS 39 3HZ LYS 39 8.627 -7.802 6.875
299 2HZ LYS 39 1HZ LYS 39 10.195 -7.388 6.725
300 3HZ LYS 39 2HZ LYS 39 9.428 -7.172 8.160
301 H ARG 40 H ARG 40 13.011 -3.657 2.285
302 HA ARG 40 HA ARG 40 10.959 -2.823 0.404
303 1HB ARG 40 1HB ARG 40 12.849 -1.283 1.321
304 2HB ARG 40 2HB ARG 40 13.909 -2.080 0.188
305 1HG ARG 40 1HG ARG 40 12.675 -1.412 -1.712
306 2HG ARG 40 2HG ARG 40 11.242 -1.045 -0.782
307 1HD ARG 40 1HD ARG 40 12.326 0.951 -1.718
308 2HD ARG 40 2HD ARG 40 12.116 1.024 0.011
309 HE ARG 40 HE ARG 40 14.427 0.737 0.386
310 1HH1 ARG 40 2HH2 ARG 40 13.798 1.040 -3.120
311 2HH1 ARG 40 1HH2 ARG 40 15.478 1.345 -3.478
312 1HH2 ARG 40 2HH1 ARG 40 16.465 1.290 -0.081
313 2HH2 ARG 40 1HH1 ARG 40 16.990 1.671 -1.717
314 H GLU 41 H GLU 41 14.050 -4.664 0.175
315 HA GLU 41 HA GLU 41 13.686 -5.110 -2.638
316 1HB GLU 41 1HB GLU 41 15.821 -5.200 -1.124
317 2HB GLU 41 2HB GLU 41 15.351 -6.885 -0.839
318 1HG GLU 41 1HG GLU 41 15.306 -7.253 -3.286
319 2HG GLU 41 2HG GLU 41 15.685 -5.548 -3.579
320 H GLU 42 H GLU 42 12.543 -6.823 0.266
321 HA GLU 42 HA GLU 42 11.400 -9.039 -1.114
322 1HB GLU 42 1HB GLU 42 11.483 -9.076 1.301
323 2HB GLU 42 2HB GLU 42 10.391 -7.679 1.418
324 1HG GLU 42 1HG GLU 42 8.540 -8.874 0.512
325 2HG GLU 42 2HG GLU 42 9.580 -10.183 -0.060
326 H MET 43 H MET 43 9.916 -5.820 -0.334
327 HA MET 43 HA MET 43 7.418 -6.235 -1.540
328 1HB MET 43 1HB MET 43 8.212 -4.190 -0.198
329 2HB MET 43 2HB MET 43 9.071 -3.664 -1.629
330 1HG MET 43 1HG MET 43 6.690 -3.889 -2.795
331 2HG MET 43 2HG MET 43 6.121 -3.790 -1.133
332 1HE MET 43 3HE MET 43 7.998 -2.130 -4.078
333 2HE MET 43 1HE MET 43 8.271 -0.457 -3.547
334 3HE MET 43 2HE MET 43 9.250 -1.774 -2.869
335 H ILE 44 H ILE 44 10.446 -5.145 -3.041
336 HA ILE 44 HA ILE 44 9.449 -4.803 -5.682
337 HB ILE 44 HB ILE 44 12.215 -5.527 -4.633
338 1HG1 ILE 44 1HG1 ILE 44 11.001 -2.925 -5.643
339 2HG1 ILE 44 2HG1 ILE 44 11.260 -3.300 -3.961
340 1HG2 ILE 44 1HG2 ILE 44 11.375 -4.715 -7.452
341 2HG2 ILE 44 2HG2 ILE 44 13.057 -4.876 -6.872
342 3HG2 ILE 44 3HG2 ILE 44 12.018 -6.284 -6.945
343 1HD1 ILE 44 1HD1 ILE 44 13.737 -3.560 -4.490
344 2HD1 ILE 44 2HD1 ILE 44 13.400 -2.797 -6.049
345 3HD1 ILE 44 3HD1 ILE 44 13.066 -1.910 -4.556
346 H LYS 45 H LYS 45 11.065 -7.724 -4.216
347 HA LYS 45 HA LYS 45 10.572 -9.343 -6.488
348 1HB LYS 45 1HB LYS 45 12.160 -9.659 -4.444
349 2HB LYS 45 2HB LYS 45 10.770 -10.406 -3.647
350 1HG LYS 45 1HG LYS 45 10.623 -12.049 -5.479
351 2HG LYS 45 2HG LYS 45 11.950 -11.258 -6.343
352 1HD LYS 45 1HD LYS 45 13.534 -11.811 -4.618
353 2HD LYS 45 2HD LYS 45 12.262 -12.409 -3.541
354 1HE LYS 45 1HE LYS 45 11.729 -14.228 -5.114
355 2HE LYS 45 2HE LYS 45 12.936 -13.596 -6.254
356 1HZ LYS 45 2HZ LYS 45 14.624 -14.031 -4.607
357 2HZ LYS 45 3HZ LYS 45 13.512 -14.743 -3.598
358 3HZ LYS 45 1HZ LYS 45 13.845 -15.403 -5.056
359 H ARG 46 H ARG 46 8.527 -8.666 -3.708
360 HA ARG 46 HA ARG 46 6.465 -10.584 -4.163
361 1HB ARG 46 1HB ARG 46 6.941 -8.234 -2.426
362 2HB ARG 46 2HB ARG 46 5.290 -8.370 -2.899
363 1HG ARG 46 1HG ARG 46 5.717 -9.427 -0.756
364 2HG ARG 46 2HG ARG 46 5.045 -10.536 -1.933
365 1HD ARG 46 1HD ARG 46 7.967 -10.703 -2.002
366 2HD ARG 46 2HD ARG 46 7.382 -10.815 -0.337
367 HE ARG 46 HE ARG 46 5.936 -12.446 -2.273
368 1HH1 ARG 46 2HH2 ARG 46 8.397 -12.481 0.372
369 2HH1 ARG 46 1HH2 ARG 46 8.360 -14.213 0.456
370 1HH2 ARG 46 2HH1 ARG 46 5.777 -14.676 -1.850
371 2HH2 ARG 46 1HH1 ARG 46 6.867 -15.412 -0.716
372 H SER 47 H SER 47 7.129 -7.559 -5.806
373 HA SER 47 HA SER 47 4.361 -7.615 -6.977
374 1HB SER 47 1HB SER 47 4.527 -5.172 -6.966
375 2HB SER 47 2HB SER 47 4.702 -5.827 -5.327
376 HG SER 47 HG SER 47 6.843 -5.365 -5.370
377 H GLY 48 H GLY 48 7.784 -7.219 -7.749
378 1HA GLY 48 1HA GLY 48 8.814 -7.180 -9.812
379 2HA GLY 48 2HA GLY 48 7.255 -7.021 -10.628
380 H ARG 49 H ARG 49 7.253 -4.736 -8.063
381 HA ARG 49 HA ARG 49 8.109 -2.589 -9.971
382 1HB ARG 49 1HB ARG 49 5.623 -2.832 -8.230
383 2HB ARG 49 2HB ARG 49 6.247 -1.255 -8.752
384 1HG ARG 49 1HG ARG 49 6.139 -1.916 -11.083
385 2HG ARG 49 2HG ARG 49 5.516 -3.525 -10.639
386 1HD ARG 49 1HD ARG 49 3.569 -2.421 -9.557
387 2HD ARG 49 2HD ARG 49 4.146 -0.853 -10.078
388 HE ARG 49 HE ARG 49 2.739 -2.786 -11.667
389 1HH1 ARG 49 2HH2 ARG 49 4.997 -0.050 -11.934
390 2HH1 ARG 49 1HH2 ARG 49 4.910 0.024 -13.669
391 1HH2 ARG 49 2HH1 ARG 49 2.564 -2.630 -13.962
392 2HH2 ARG 49 1HH1 ARG 49 3.406 -1.400 -14.821
393 H THR 50 H THR 50 9.044 -0.741 -9.099
394 HA THR 50 HA THR 50 10.206 -1.219 -6.425
395 HB THR 50 HB THR 50 12.107 0.064 -7.334
396 HG1 THR 50 HG1 THR 50 12.058 0.394 -9.639
397 1HG2 THR 50 3HG2 THR 50 11.895 -2.467 -7.694
398 2HG2 THR 50 1HG2 THR 50 11.327 -2.120 -9.329
399 3HG2 THR 50 2HG2 THR 50 12.954 -1.630 -8.826
400 H THR 51 H THR 51 8.100 1.084 -8.100
401 HA THR 51 HA THR 51 8.874 3.166 -6.263
402 HB THR 51 HB THR 51 6.845 4.363 -7.205
403 HG1 THR 51 HG1 THR 51 6.035 3.560 -9.127
404 1HG2 THR 51 3HG2 THR 51 9.228 4.566 -8.031
405 2HG2 THR 51 1HG2 THR 51 8.828 3.383 -9.292
406 3HG2 THR 51 2HG2 THR 51 7.989 4.957 -9.214
407 H VAL 52 H VAL 52 7.726 4.034 -4.573
408 HA VAL 52 HA VAL 52 5.647 2.367 -3.306
409 HB VAL 52 HB VAL 52 6.764 4.315 -1.507
410 1HG1 VAL 52 1HG1 VAL 52 5.843 1.966 -1.015
411 2HG1 VAL 52 2HG1 VAL 52 7.366 1.363 -1.605
412 3HG1 VAL 52 3HG1 VAL 52 7.302 2.455 -0.169
413 1HG2 VAL 52 2HG2 VAL 52 8.948 2.638 -2.855
414 2HG2 VAL 52 3HG2 VAL 52 8.830 4.408 -2.871
415 3HG2 VAL 52 1HG2 VAL 52 9.120 3.532 -1.352
416 HA PRO 53 HA PRO 53 4.309 3.156 -1.041
417 1HB PRO 53 1HB PRO 53 1.653 3.163 -0.772
418 2HB PRO 53 2HB PRO 53 2.657 4.541 -0.236
419 1HG PRO 53 1HG PRO 53 1.185 4.220 -2.869
420 2HG PRO 53 2HG PRO 53 1.092 5.597 -1.736
421 1HD PRO 53 1HD PRO 53 2.757 5.577 -3.903
422 2HD PRO 53 2HD PRO 53 3.259 6.365 -2.380
423 H GLN 54 H GLN 54 3.102 1.002 -0.923
424 HA GLN 54 HA GLN 54 1.743 0.115 -3.327
425 1HB GLN 54 1HB GLN 54 4.105 -1.460 -2.206
426 2HB GLN 54 2HB GLN 54 2.868 -2.087 -3.302
427 1HG GLN 54 1HG GLN 54 3.534 -0.207 -4.931
428 2HG GLN 54 2HG GLN 54 4.926 0.065 -3.864
429 1HE2 GLN 54 2HE2 GLN 54 6.556 -2.202 -6.118
430 2HE2 GLN 54 1HE2 GLN 54 6.213 -0.483 -5.817
431 H ILE 55 H ILE 55 0.183 -1.705 -2.728
432 HA ILE 55 HA ILE 55 0.000 -1.985 0.199
433 HB ILE 55 HB ILE 55 -2.297 -1.550 -1.743
434 1HG1 ILE 55 1HG1 ILE 55 -2.646 0.573 -0.309
435 2HG1 ILE 55 2HG1 ILE 55 -0.968 0.421 0.160
436 1HG2 ILE 55 2HG2 ILE 55 -2.840 -2.919 0.260
437 2HG2 ILE 55 3HG2 ILE 55 -2.208 -1.646 1.311
438 3HG2 ILE 55 1HG2 ILE 55 -3.656 -1.365 0.319
439 1HD1 ILE 55 2HD1 ILE 55 -1.669 0.495 -2.783
440 2HD1 ILE 55 3HD1 ILE 55 -1.714 1.996 -1.829
441 3HD1 ILE 55 1HD1 ILE 55 -0.214 1.096 -1.966
442 H PHE 56 H PHE 56 -0.673 -3.993 0.851
443 HA PHE 56 HA PHE 56 -1.240 -6.062 -1.167
444 1HB PHE 56 1HB PHE 56 0.593 -6.353 1.258
445 2HB PHE 56 2HB PHE 56 0.023 -7.671 0.246
446 HD1 PHE 56 HD1 PHE 56 2.060 -4.526 0.177
447 HD2 PHE 56 HD2 PHE 56 1.237 -8.303 -1.726
448 HE1 PHE 56 HE1 PHE 56 3.978 -4.169 -1.337
449 HE2 PHE 56 HE2 PHE 56 3.162 -7.955 -3.233
450 HZ PHE 56 HZ PHE 56 4.554 -5.882 -3.049
451 H ILE 57 H ILE 57 -3.162 -7.026 -0.595
452 HA ILE 57 HA ILE 57 -4.164 -6.639 2.174
453 HB ILE 57 HB ILE 57 -5.893 -6.425 -0.290
454 1HG1 ILE 57 1HG1 ILE 57 -5.051 -4.351 1.804
455 2HG1 ILE 57 2HG1 ILE 57 -4.466 -4.407 0.151
456 1HG2 ILE 57 2HG2 ILE 57 -6.512 -6.325 2.703
457 2HG2 ILE 57 3HG2 ILE 57 -7.676 -5.945 1.420
458 3HG2 ILE 57 1HG2 ILE 57 -7.026 -7.568 1.561
459 1HD1 ILE 57 1HD1 ILE 57 -6.799 -4.057 -0.680
460 2HD1 ILE 57 2HD1 ILE 57 -7.285 -3.791 1.014
461 3HD1 ILE 57 3HD1 ILE 57 -6.109 -2.710 0.250
462 H ASP 58 H ASP 58 -4.638 -8.584 3.079
463 HA ASP 58 HA ASP 58 -4.480 -10.865 3.337
464 1HB ASP 58 1HB ASP 58 -6.449 -10.499 1.122
465 2HB ASP 58 2HB ASP 58 -6.090 -12.101 1.788
466 H ALA 59 H ALA 59 -2.495 -9.755 2.261
467 HA ALA 59 HA ALA 59 -0.472 -9.839 1.349
468 1HB ALA 59 3HB ALA 59 -0.221 -11.931 2.490
469 2HB ALA 59 1HB ALA 59 -0.940 -12.819 1.140
470 3HB ALA 59 2HB ALA 59 0.618 -12.000 0.933
471 H GLN 60 H GLN 60 -3.124 -10.217 -0.629
472 HA GLN 60 HA GLN 60 -1.715 -10.680 -3.147
473 1HB GLN 60 1HB GLN 60 -4.539 -9.800 -2.435
474 2HB GLN 60 2HB GLN 60 -3.968 -9.992 -4.092
475 1HG GLN 60 1HG GLN 60 -3.881 -12.279 -3.984
476 2HG GLN 60 2HG GLN 60 -3.458 -12.333 -2.278
477 1HE2 GLN 60 2HE2 GLN 60 -6.743 -12.732 -1.116
478 2HE2 GLN 60 1HE2 GLN 60 -5.098 -12.351 -0.674
479 H HIS 61 H HIS 61 -0.633 -9.181 -4.194
480 HA HIS 61 HA HIS 61 -0.296 -6.487 -3.284
481 1HB HIS 61 1HB HIS 61 1.353 -7.827 -4.662
482 2HB HIS 61 2HB HIS 61 0.226 -7.789 -6.007
483 HD1 HIS 61 HD1 HIS 61 1.161 -6.134 -7.771
484 HD2 HIS 61 HD2 HIS 61 1.702 -4.939 -3.727
485 HE1 HIS 61 HE1 HIS 61 2.461 -3.933 -7.815
486 HE2 HIS 61 HE2 HIS 61 2.910 -3.311 -5.348
487 H ILE 62 H ILE 62 -1.490 -4.637 -3.751
488 HA ILE 62 HA ILE 62 -3.722 -4.848 -5.662
489 HB ILE 62 HB ILE 62 -2.827 -2.360 -4.165
490 1HG1 ILE 62 1HG1 ILE 62 -2.937 -3.831 -2.387
491 2HG1 ILE 62 2HG1 ILE 62 -4.404 -2.883 -2.350
492 1HG2 ILE 62 2HG2 ILE 62 -4.527 -2.084 -5.936
493 2HG2 ILE 62 3HG2 ILE 62 -5.529 -3.342 -5.181
494 3HG2 ILE 62 1HG2 ILE 62 -5.246 -1.809 -4.346
495 1HD1 ILE 62 2HD1 ILE 62 -4.356 -5.716 -3.512
496 2HD1 ILE 62 3HD1 ILE 62 -4.790 -5.322 -1.866
497 3HD1 ILE 62 1HD1 ILE 62 -5.774 -4.690 -3.194
498 H GLY 63 H GLY 63 -0.943 -2.662 -5.073
499 1HA GLY 63 1HA GLY 63 0.427 -2.383 -7.363
500 2HA GLY 63 2HA GLY 63 -1.076 -1.480 -7.673
501 H GLY 64 H GLY 64 0.187 0.554 -7.537
502 1HA GLY 64 1HA GLY 64 1.172 1.349 -4.892
503 2HA GLY 64 2HA GLY 64 1.367 2.230 -6.408
504 H TYR 65 H TYR 65 0.496 4.128 -5.492
505 HA TYR 65 HA TYR 65 -1.931 4.263 -3.915
506 1HB TYR 65 1HB TYR 65 -0.187 6.023 -3.654
507 2HB TYR 65 2HB TYR 65 -0.264 6.358 -5.366
508 HD1 TYR 65 HD2 TYR 65 -3.274 5.884 -3.142
509 HD2 TYR 65 HD1 TYR 65 -0.764 8.671 -5.289
510 HE1 TYR 65 HE2 TYR 65 -4.841 7.693 -2.649
511 HE2 TYR 65 HE1 TYR 65 -2.423 10.458 -4.843
512 HH TYR 65 HH TYR 65 -5.510 9.879 -3.160
513 H ASP 66 H ASP 66 -1.113 5.418 -7.208
514 HA ASP 66 HA ASP 66 -3.688 6.275 -7.936
515 1HB ASP 66 1HB ASP 66 -1.151 5.516 -9.346
516 2HB ASP 66 2HB ASP 66 -2.607 5.425 -10.294
517 H ASP 67 H ASP 67 -2.173 3.101 -8.097
518 HA ASP 67 HA ASP 67 -4.204 1.670 -9.485
519 1HB ASP 67 1HB ASP 67 -2.348 0.544 -7.349
520 2HB ASP 67 2HB ASP 67 -3.134 -0.312 -8.648
521 H LEU 68 H LEU 68 -3.404 1.980 -5.981
522 HA LEU 68 HA LEU 68 -5.508 0.440 -4.948
523 1HB LEU 68 1HB LEU 68 -3.566 1.316 -3.611
524 2HB LEU 68 2HB LEU 68 -4.265 2.926 -3.690
525 HG LEU 68 HG LEU 68 -6.404 1.815 -2.640
526 1HD1 LEU 68 2HD1 LEU 68 -4.269 -0.285 -2.120
527 2HD1 LEU 68 3HD1 LEU 68 -5.656 -0.086 -1.043
528 3HD1 LEU 68 1HD1 LEU 68 -5.925 -0.492 -2.734
529 1HD2 LEU 68 2HD2 LEU 68 -5.131 3.473 -1.487
530 2HD2 LEU 68 3HD2 LEU 68 -5.664 2.195 -0.400
531 3HD2 LEU 68 1HD2 LEU 68 -3.965 2.251 -0.934
532 H TYR 69 H TYR 69 -5.405 3.919 -5.590
533 HA TYR 69 HA TYR 69 -7.939 4.657 -4.632
534 1HB TYR 69 1HB TYR 69 -6.167 6.253 -5.371
535 2HB TYR 69 2HB TYR 69 -6.367 5.745 -7.030
536 HD1 TYR 69 HD2 TYR 69 -8.612 6.889 -4.202
537 HD2 TYR 69 HD1 TYR 69 -7.686 7.128 -8.411
538 HE1 TYR 69 HE2 TYR 69 -10.480 8.400 -4.507
539 HE2 TYR 69 HE1 TYR 69 -9.549 8.725 -8.723
540 HH TYR 69 HH TYR 69 -11.533 9.870 -5.944
541 H ALA 70 H ALA 70 -7.051 3.576 -7.884
542 HA ALA 70 HA ALA 70 -9.757 3.802 -8.952
543 1HB ALA 70 1HB ALA 70 -7.340 2.208 -9.925
544 2HB ALA 70 2HB ALA 70 -8.862 2.409 -10.821
545 3HB ALA 70 3HB ALA 70 -7.866 3.825 -10.454
546 H LEU 71 H LEU 71 -7.809 1.143 -7.597
547 HA LEU 71 HA LEU 71 -9.751 -0.891 -8.047
548 1HB LEU 71 1HB LEU 71 -7.152 -0.935 -7.433
549 2HB LEU 71 2HB LEU 71 -7.729 -1.014 -5.782
550 HG LEU 71 HG LEU 71 -7.157 -3.184 -6.786
551 1HD1 LEU 71 2HD1 LEU 71 -8.748 -3.080 -4.964
552 2HD1 LEU 71 3HD1 LEU 71 -10.067 -3.065 -6.169
553 3HD1 LEU 71 1HD1 LEU 71 -9.003 -4.473 -6.024
554 1HD2 LEU 71 1HD2 LEU 71 -7.899 -2.696 -9.139
555 2HD2 LEU 71 2HD2 LEU 71 -8.392 -4.276 -8.507
556 3HD2 LEU 71 3HD2 LEU 71 -9.577 -2.971 -8.597
557 H ASP 72 H ASP 72 -9.159 1.310 -5.318
558 HA ASP 72 HA ASP 72 -11.223 0.396 -3.552
559 1HB ASP 72 1HB ASP 72 -9.500 1.921 -2.754
560 2HB ASP 72 2HB ASP 72 -9.879 3.087 -3.993
561 H ALA 73 H ALA 73 -11.161 3.090 -5.909
562 HA ALA 73 HA ALA 73 -13.850 3.721 -5.740
563 1HB ALA 73 2HB ALA 73 -12.100 3.893 -8.232
564 2HB ALA 73 3HB ALA 73 -13.626 4.761 -7.988
565 3HB ALA 73 1HB ALA 73 -12.229 5.129 -6.968
566 H ARG 74 H ARG 74 -12.496 1.052 -7.529
567 HA ARG 74 HA ARG 74 -15.038 0.443 -8.784
568 1HB ARG 74 1HB ARG 74 -14.026 -1.081 -9.965
569 2HB ARG 74 2HB ARG 74 -12.573 -0.236 -9.544
570 1HG ARG 74 1HG ARG 74 -11.796 -1.995 -8.181
571 2HG ARG 74 2HG ARG 74 -13.404 -2.610 -7.844
572 1HD ARG 74 1HD ARG 74 -12.521 -4.209 -9.185
573 2HD ARG 74 2HD ARG 74 -13.607 -3.333 -10.244
574 HE ARG 74 HE ARG 74 -10.753 -3.667 -10.416
575 1HH1 ARG 74 2HH2 ARG 74 -13.559 -2.003 -11.831
576 2HH1 ARG 74 1HH2 ARG 74 -12.626 -1.243 -13.069
577 1HH2 ARG 74 2HH1 ARG 74 -9.523 -2.632 -12.088
578 2HH2 ARG 74 1HH1 ARG 74 -10.361 -1.816 -13.355
579 H GLY 75 H GLY 75 -13.903 0.016 -5.620
580 1HA GLY 75 1HA GLY 75 -14.758 -1.122 -3.820
581 2HA GLY 75 2HA GLY 75 -16.096 -1.701 -4.827
582 H GLY 76 H GLY 76 -12.497 -2.196 -5.479
583 1HA GLY 76 1HA GLY 76 -12.958 -5.106 -5.006
584 2HA GLY 76 2HA GLY 76 -11.735 -4.407 -6.053
585 H LEU 77 H LEU 77 -11.285 -2.204 -3.886
586 HA LEU 77 HA LEU 77 -9.371 -3.620 -2.173
587 1HB LEU 77 1HB LEU 77 -9.128 -1.208 -2.968
588 2HB LEU 77 2HB LEU 77 -10.467 -0.759 -1.930
589 HG LEU 77 HG LEU 77 -7.723 -1.672 -1.103
590 1HD1 LEU 77 3HD1 LEU 77 -8.063 0.681 -1.740
591 2HD1 LEU 77 1HD1 LEU 77 -9.373 0.833 -0.549
592 3HD1 LEU 77 2HD1 LEU 77 -7.710 0.550 -0.007
593 1HD2 LEU 77 3HD2 LEU 77 -10.112 -1.185 0.736
594 2HD2 LEU 77 1HD2 LEU 77 -9.175 -2.685 0.594
595 3HD2 LEU 77 2HD2 LEU 77 -8.414 -1.251 1.255
596 H ASP 78 H ASP 78 -12.351 -1.771 -1.733
597 HA ASP 78 HA ASP 78 -12.980 -2.045 0.773
598 1HB ASP 78 1HB ASP 78 -14.109 -0.774 -1.045
599 2HB ASP 78 2HB ASP 78 -14.935 -2.206 -1.575
600 HA PRO 79 HA PRO 79 -14.956 -6.329 0.852
601 1HB PRO 79 1HB PRO 79 -15.122 -8.006 -1.279
602 2HB PRO 79 2HB PRO 79 -16.275 -6.652 -1.054
603 1HG PRO 79 1HG PRO 79 -13.738 -6.659 -2.742
604 2HG PRO 79 2HG PRO 79 -15.402 -6.212 -3.253
605 1HD PRO 79 1HD PRO 79 -13.630 -4.329 -2.450
606 2HD PRO 79 2HD PRO 79 -15.360 -4.238 -1.993
607 H LEU 80 H LEU 80 -11.877 -5.884 -0.738
608 HA LEU 80 HA LEU 80 -10.890 -8.569 -0.009
609 1HB LEU 80 1HB LEU 80 -9.520 -6.050 -1.018
610 2HB LEU 80 2HB LEU 80 -8.608 -7.368 -0.310
611 HG LEU 80 HG LEU 80 -10.382 -7.693 -2.747
612 1HD1 LEU 80 1HD1 LEU 80 -8.405 -6.235 -3.159
613 2HD1 LEU 80 2HD1 LEU 80 -7.340 -7.493 -2.478
614 3HD1 LEU 80 3HD1 LEU 80 -8.245 -7.799 -3.980
615 1HD2 LEU 80 3HD2 LEU 80 -8.380 -9.574 -1.411
616 2HD2 LEU 80 1HD2 LEU 80 -10.131 -9.825 -1.581
617 3HD2 LEU 80 2HD2 LEU 80 -9.109 -9.820 -3.012
618 H LEU 81 H LEU 81 -11.571 -5.562 1.556
619 HA LEU 81 HA LEU 81 -9.638 -5.757 3.659
620 1HB LEU 81 1HB LEU 81 -11.206 -3.758 2.646
621 2HB LEU 81 2HB LEU 81 -12.200 -4.228 4.005
622 HG LEU 81 HG LEU 81 -10.884 -2.464 4.802
623 1HD1 LEU 81 1HD1 LEU 81 -10.695 -4.274 6.453
624 2HD1 LEU 81 2HD1 LEU 81 -9.204 -4.846 5.678
625 3HD1 LEU 81 3HD1 LEU 81 -9.279 -3.242 6.436
626 1HD2 LEU 81 2HD2 LEU 81 -8.628 -3.738 3.228
627 2HD2 LEU 81 3HD2 LEU 81 -9.397 -2.145 3.061
628 3HD2 LEU 81 1HD2 LEU 81 -8.335 -2.469 4.427
629 H LYS 82 H LYS 82 -11.219 -8.142 3.196
630 HA LYS 82 HA LYS 82 -13.151 -8.646 5.290
631 1HB LYS 82 1HB LYS 82 -11.961 -10.118 3.076
632 2HB LYS 82 2HB LYS 82 -11.858 -11.096 4.529
633 1HG LYS 82 1HG LYS 82 -14.412 -9.787 3.476
634 2HG LYS 82 2HG LYS 82 -13.929 -11.457 3.211
635 1HD LYS 82 1HD LYS 82 -15.145 -11.945 5.038
636 2HD LYS 82 2HD LYS 82 -13.761 -11.327 5.947
637 1HE LYS 82 1HE LYS 82 -14.944 -9.004 5.779
638 2HE LYS 82 2HE LYS 82 -16.349 -9.907 5.204
639 1HZ LYS 82 2HZ LYS 82 -16.310 -11.136 7.275
640 2HZ LYS 82 3HZ LYS 82 -15.034 -10.212 7.837
641 3HZ LYS 82 1HZ LYS 82 -16.471 -9.522 7.550
642 1HB2 GTT 83 1HB2 GTT 83 7.651 6.758 -2.999
643 2HB2 GTT 83 2HB2 GTT 83 8.941 7.941 -2.767
644 HA2 GTT 83 HA2 GTT 83 8.957 8.450 -5.157
645 HN2 GTT 83 HN2 GTT 83 6.386 6.984 -5.084
646 1HG1 GTT 83 1HG1 GTT 83 4.906 8.333 -6.851
647 2HG1 GTT 83 2HG1 GTT 83 5.258 6.630 -7.192
648 1HB1 GTT 83 1HB1 GTT 83 6.103 7.270 -9.448
649 2HB1 GTT 83 2HB1 GTT 83 5.840 8.972 -9.048
650 HA1 GTT 83 HA1 GTT 83 3.402 8.507 -8.733
651 1HN1 GTT 83 1HN1 GTT 83 2.571 6.527 -9.792
652 2HN1 GTT 83 2HN1 GTT 83 4.089 5.935 -9.946
653 3HN1 GTT 83 3HN1 GTT 83 3.438 6.115 -8.441
654 HN3 GTT 83 HN3 GTT 83 10.883 7.147 -4.247
655 1HA3 GTT 83 1HA3 GTT 83 11.284 4.589 -3.663
656 2HA3 GTT 83 2HA3 GTT 83 10.962 4.436 -5.402
No H/Q in entry = 656
Start of MODEL 17
1 1H ALA 1 1H ALA 1 -8.162 -10.763 6.454
2 2H ALA 1 2H ALA 1 -9.303 -10.293 5.341
3 3H ALA 1 3H ALA 1 -7.748 -10.590 4.862
4 HA ALA 1 HA ALA 1 -8.037 -8.317 4.886
5 1HB ALA 1 3HB ALA 1 -9.955 -8.278 6.393
6 2HB ALA 1 1HB ALA 1 -8.913 -8.615 7.777
7 3HB ALA 1 2HB ALA 1 -8.720 -7.091 6.865
8 H ASN 2 H ASN 2 -5.864 -8.402 4.532
9 HA ASN 2 HA ASN 2 -4.303 -7.465 6.891
10 1HB ASN 2 1HB ASN 2 -3.791 -9.884 6.546
11 2HB ASN 2 2HB ASN 2 -3.255 -9.533 4.904
12 1HD2 ASN 2 2HD2 ASN 2 -0.007 -8.945 6.190
13 2HD2 ASN 2 1HD2 ASN 2 -1.006 -9.400 4.831
14 H VAL 3 H VAL 3 -5.011 -5.418 5.820
15 HA VAL 3 HA VAL 3 -3.876 -4.822 3.183
16 HB VAL 3 HB VAL 3 -5.194 -3.044 5.292
17 1HG1 VAL 3 2HG1 VAL 3 -4.374 -2.462 2.423
18 2HG1 VAL 3 3HG1 VAL 3 -5.366 -1.386 3.437
19 3HG1 VAL 3 1HG1 VAL 3 -3.690 -1.732 3.877
20 1HG2 VAL 3 2HG2 VAL 3 -6.817 -4.647 4.334
21 2HG2 VAL 3 3HG2 VAL 3 -7.130 -2.984 3.821
22 3HG2 VAL 3 1HG2 VAL 3 -6.367 -4.115 2.702
23 H GLU 4 H GLU 4 -1.734 -4.396 3.045
24 HA GLU 4 HA GLU 4 -0.431 -2.970 5.262
25 1HB GLU 4 1HB GLU 4 1.465 -4.512 3.619
26 2HB GLU 4 2HB GLU 4 1.380 -4.299 5.345
27 1HG GLU 4 1HG GLU 4 -0.147 -6.134 5.619
28 2HG GLU 4 2HG GLU 4 -0.430 -6.247 3.870
29 H ILE 5 H ILE 5 0.963 -1.317 4.515
30 HA ILE 5 HA ILE 5 1.086 -0.878 1.606
31 HB ILE 5 HB ILE 5 -0.785 0.473 2.087
32 1HG1 ILE 5 1HG1 ILE 5 1.747 2.185 2.018
33 2HG1 ILE 5 2HG1 ILE 5 1.074 1.365 0.649
34 1HG2 ILE 5 3HG2 ILE 5 -0.474 0.646 4.604
35 2HG2 ILE 5 1HG2 ILE 5 0.727 1.905 4.287
36 3HG2 ILE 5 2HG2 ILE 5 -0.966 2.145 3.811
37 1HD1 ILE 5 3HD1 ILE 5 -1.018 2.755 0.930
38 2HD1 ILE 5 1HD1 ILE 5 -0.172 3.654 2.220
39 3HD1 ILE 5 2HD1 ILE 5 0.468 3.670 0.573
40 H TYR 6 H TYR 6 3.054 -0.707 1.108
41 HA TYR 6 HA TYR 6 5.199 -0.223 3.027
42 1HB TYR 6 1HB TYR 6 4.959 -0.782 0.058
43 2HB TYR 6 2HB TYR 6 6.462 -0.319 0.804
44 HD1 TYR 6 HD2 TYR 6 3.837 -2.959 0.855
45 HD2 TYR 6 HD1 TYR 6 7.720 -1.743 2.149
46 HE1 TYR 6 HE2 TYR 6 4.325 -5.317 1.610
47 HE2 TYR 6 HE1 TYR 6 8.294 -4.089 2.762
48 HH TYR 6 HH TYR 6 5.879 -6.539 3.153
49 H THR 7 H THR 7 5.955 1.766 3.523
50 HA THR 7 HA THR 7 5.266 4.034 1.759
51 HB THR 7 HB THR 7 4.803 5.311 3.874
52 HG1 THR 7 HG1 THR 7 4.377 4.163 5.728
53 1HG2 THR 7 1HG2 THR 7 2.979 4.282 2.433
54 2HG2 THR 7 2HG2 THR 7 2.944 2.946 3.615
55 3HG2 THR 7 3HG2 THR 7 2.544 4.590 4.121
56 H LYS 8 H LYS 8 6.568 6.068 2.481
57 HA LYS 8 HA LYS 8 9.134 5.317 3.701
58 1HB LYS 8 1HB LYS 8 9.060 4.991 1.123
59 2HB LYS 8 2HB LYS 8 9.250 6.758 1.028
60 1HG LYS 8 1HG LYS 8 11.354 6.567 2.254
61 2HG LYS 8 2HG LYS 8 10.975 4.884 2.678
62 1HD LYS 8 1HD LYS 8 12.543 4.551 1.033
63 2HD LYS 8 2HD LYS 8 11.034 4.363 0.164
64 1HE LYS 8 1HE LYS 8 12.377 5.667 -1.247
65 2HE LYS 8 2HE LYS 8 11.287 6.851 -0.522
66 1HZ LYS 8 3HZ LYS 8 14.031 6.301 0.471
67 2HZ LYS 8 1HZ LYS 8 13.680 7.456 -0.607
68 3HZ LYS 8 2HZ LYS 8 13.072 7.525 0.943
69 H GLU 9 H GLU 9 10.211 7.148 4.512
70 HA GLU 9 HA GLU 9 8.514 9.063 5.651
71 1HB GLU 9 1HB GLU 9 10.668 8.440 6.639
72 2HB GLU 9 2HB GLU 9 11.526 9.135 5.258
73 1HG GLU 9 1HG GLU 9 10.639 11.404 5.897
74 2HG GLU 9 2HG GLU 9 9.843 10.666 7.292
75 H THR 10 H THR 10 10.972 9.720 3.116
76 HA THR 10 HA THR 10 9.482 12.167 2.358
77 HB THR 10 HB THR 10 11.594 12.808 2.938
78 HG1 THR 10 HG1 THR 10 12.566 12.631 0.469
79 1HG2 THR 10 3HG2 THR 10 12.837 10.496 1.430
80 2HG2 THR 10 1HG2 THR 10 13.711 11.837 2.208
81 3HG2 THR 10 2HG2 THR 10 12.788 10.730 3.202
82 H CYS 11 H CYS 11 7.854 11.113 1.389
83 HA CYS 11 HA CYS 11 8.266 10.779 -1.405
84 1HB CYS 11 1HB CYS 11 8.766 8.491 -1.022
85 2HB CYS 11 2HB CYS 11 7.431 8.301 0.118
86 HA PRO 12 HA PRO 12 4.566 12.790 0.290
87 1HB PRO 12 1HB PRO 12 3.831 14.207 -1.974
88 2HB PRO 12 2HB PRO 12 4.918 14.791 -0.679
89 1HG PRO 12 1HG PRO 12 5.672 13.703 -3.361
90 2HG PRO 12 2HG PRO 12 6.499 14.946 -2.379
91 1HD PRO 12 1HD PRO 12 7.317 12.331 -2.644
92 2HD PRO 12 2HD PRO 12 7.651 13.298 -1.184
93 H TYR 13 H TYR 13 4.629 11.181 -2.875
94 HA TYR 13 HA TYR 13 1.840 10.601 -3.181
95 1HB TYR 13 1HB TYR 13 3.825 10.515 -4.837
96 2HB TYR 13 2HB TYR 13 4.299 9.015 -4.060
97 HD1 TYR 13 HD2 TYR 13 1.321 10.665 -5.686
98 HD2 TYR 13 HD1 TYR 13 3.569 7.044 -5.024
99 HE1 TYR 13 HE2 TYR 13 -0.153 9.460 -7.248
100 HE2 TYR 13 HE1 TYR 13 2.074 5.833 -6.600
101 HH TYR 13 HH TYR 13 -0.748 7.434 -8.109
102 H SER 14 H SER 14 4.450 8.861 -1.432
103 HA SER 14 HA SER 14 2.836 6.631 -0.547
104 1HB SER 14 1HB SER 14 5.257 6.534 -0.372
105 2HB SER 14 2HB SER 14 5.306 7.990 0.618
106 HG SER 14 HG SER 14 4.390 6.945 2.287
107 H HIS 15 H HIS 15 3.350 9.990 0.645
108 HA HIS 15 HA HIS 15 1.761 9.368 3.001
109 1HB HIS 15 1HB HIS 15 2.865 11.967 1.931
110 2HB HIS 15 2HB HIS 15 1.732 11.931 3.274
111 HD1 HIS 15 HD1 HIS 15 2.618 11.051 5.607
112 HD2 HIS 15 HD2 HIS 15 5.319 10.642 2.382
113 HE1 HIS 15 HE1 HIS 15 4.916 10.370 6.608
114 HE2 HIS 15 HE2 HIS 15 6.544 10.178 4.568
115 H ARG 16 H ARG 16 0.946 10.766 -0.146
116 HA ARG 16 HA ARG 16 -1.709 11.399 0.348
117 1HB ARG 16 1HB ARG 16 -0.084 10.807 -2.023
118 2HB ARG 16 2HB ARG 16 -1.696 10.201 -2.242
119 1HG ARG 16 1HG ARG 16 -2.446 12.546 -1.312
120 2HG ARG 16 2HG ARG 16 -0.781 13.039 -1.663
121 1HD ARG 16 1HD ARG 16 -1.127 12.522 -4.046
122 2HD ARG 16 2HD ARG 16 -2.703 11.799 -3.687
123 HE ARG 16 HE ARG 16 -3.676 13.834 -3.354
124 1HH1 ARG 16 2HH2 ARG 16 -0.313 14.375 -4.305
125 2HH1 ARG 16 1HH2 ARG 16 -0.222 15.970 -3.604
126 1HH2 ARG 16 2HH1 ARG 16 -3.666 16.124 -2.772
127 2HH2 ARG 16 1HH1 ARG 16 -2.297 17.079 -3.279
128 H ALA 17 H ALA 17 -0.430 8.129 -0.237
129 HA ALA 17 HA ALA 17 -2.918 6.848 -0.412
130 1HB ALA 17 1HB ALA 17 -0.697 5.822 -0.859
131 2HB ALA 17 2HB ALA 17 -0.436 5.764 0.901
132 3HB ALA 17 3HB ALA 17 -1.771 4.833 0.157
133 H LYS 18 H LYS 18 -1.530 8.146 2.491
134 HA LYS 18 HA LYS 18 -3.295 6.531 4.204
135 1HB LYS 18 1HB LYS 18 -1.443 8.858 4.889
136 2HB LYS 18 2HB LYS 18 -2.436 7.955 6.041
137 1HG LYS 18 1HG LYS 18 -0.590 6.645 6.226
138 2HG LYS 18 2HG LYS 18 -1.323 5.832 4.866
139 1HD LYS 18 1HD LYS 18 0.832 6.028 4.063
140 2HD LYS 18 2HD LYS 18 0.113 7.435 3.364
141 1HE LYS 18 1HE LYS 18 2.377 7.835 4.368
142 2HE LYS 18 2HE LYS 18 1.099 8.919 4.925
143 1HZ LYS 18 1HZ LYS 18 2.161 6.633 6.483
144 2HZ LYS 18 2HZ LYS 18 2.515 8.217 6.725
145 3HZ LYS 18 3HZ LYS 18 1.007 7.665 6.981
146 H ALA 19 H ALA 19 -3.394 9.751 2.706
147 HA ALA 19 HA ALA 19 -5.848 10.511 4.093
148 1HB ALA 19 2HB ALA 19 -4.291 12.174 2.979
149 2HB ALA 19 3HB ALA 19 -4.739 11.474 1.405
150 3HB ALA 19 1HB ALA 19 -5.961 12.273 2.411
151 H LEU 20 H LEU 20 -5.084 8.624 1.193
152 HA LEU 20 HA LEU 20 -7.830 8.508 0.257
153 1HB LEU 20 1HB LEU 20 -6.092 8.062 -1.235
154 2HB LEU 20 2HB LEU 20 -5.354 6.826 -0.234
155 HG LEU 20 HG LEU 20 -6.574 6.248 -2.437
156 1HD1 LEU 20 2HD1 LEU 20 -5.612 4.579 -0.878
157 2HD1 LEU 20 3HD1 LEU 20 -7.197 4.484 -0.056
158 3HD1 LEU 20 1HD1 LEU 20 -7.050 4.021 -1.747
159 1HD2 LEU 20 3HD2 LEU 20 -8.747 7.345 -1.804
160 2HD2 LEU 20 1HD2 LEU 20 -8.863 5.655 -2.355
161 3HD2 LEU 20 2HD2 LEU 20 -8.986 6.010 -0.635
162 H LEU 21 H LEU 21 -5.838 6.102 1.972
163 HA LEU 21 HA LEU 21 -7.943 4.323 2.559
164 1HB LEU 21 1HB LEU 21 -5.280 4.905 3.924
165 2HB LEU 21 2HB LEU 21 -6.335 3.614 4.492
166 HG LEU 21 HG LEU 21 -5.624 3.733 1.545
167 1HD1 LEU 21 3HD1 LEU 21 -3.464 3.899 2.694
168 2HD1 LEU 21 1HD1 LEU 21 -3.851 2.431 3.618
169 3HD1 LEU 21 2HD1 LEU 21 -3.683 2.365 1.843
170 1HD2 LEU 21 3HD2 LEU 21 -6.178 1.435 3.473
171 2HD2 LEU 21 1HD2 LEU 21 -7.331 2.125 2.298
172 3HD2 LEU 21 2HD2 LEU 21 -5.873 1.292 1.740
173 H SER 22 H SER 22 -6.808 7.133 4.517
174 HA SER 22 HA SER 22 -8.674 6.710 6.635
175 1HB SER 22 1HB SER 22 -6.673 8.128 6.821
176 2HB SER 22 2HB SER 22 -7.309 9.236 5.585
177 HG SER 22 HG SER 22 -8.821 9.947 6.960
178 H SER 23 H SER 23 -8.957 8.615 3.530
179 HA SER 23 HA SER 23 -11.562 9.531 4.044
180 1HB SER 23 1HB SER 23 -9.841 9.968 2.084
181 2HB SER 23 2HB SER 23 -10.725 8.675 1.274
182 HG SER 23 HG SER 23 -11.639 11.118 2.396
183 H LYS 24 H LYS 24 -10.557 6.226 3.455
184 HA LYS 24 HA LYS 24 -13.422 5.399 3.193
185 1HB LYS 24 1HB LYS 24 -10.843 4.191 2.195
186 2HB LYS 24 2HB LYS 24 -12.268 3.197 2.465
187 1HG LYS 24 1HG LYS 24 -12.424 3.758 0.258
188 2HG LYS 24 2HG LYS 24 -13.637 4.740 1.038
189 1HD LYS 24 1HD LYS 24 -12.589 6.722 0.461
190 2HD LYS 24 2HD LYS 24 -10.971 6.020 0.587
191 1HE LYS 24 1HE LYS 24 -11.563 6.619 -1.749
192 2HE LYS 24 2HE LYS 24 -11.126 4.926 -1.509
193 1HZ LYS 24 1HZ LYS 24 -13.507 4.384 -1.499
194 2HZ LYS 24 2HZ LYS 24 -13.892 5.938 -1.777
195 3HZ LYS 24 3HZ LYS 24 -13.061 5.070 -2.906
196 H GLY 25 H GLY 25 -11.324 5.919 5.609
197 1HA GLY 25 1HA GLY 25 -11.465 5.349 7.793
198 2HA GLY 25 2HA GLY 25 -12.895 4.388 7.425
199 H VAL 26 H VAL 26 -9.832 3.656 5.786
200 HA VAL 26 HA VAL 26 -10.194 0.905 6.733
201 HB VAL 26 HB VAL 26 -8.042 1.950 4.883
202 1HG1 VAL 26 3HG1 VAL 26 -7.762 -0.410 5.524
203 2HG1 VAL 26 1HG1 VAL 26 -9.433 -0.747 5.000
204 3HG1 VAL 26 2HG1 VAL 26 -8.190 -0.272 3.827
205 1HG2 VAL 26 3HG2 VAL 26 -10.905 1.170 4.138
206 2HG2 VAL 26 1HG2 VAL 26 -10.145 2.757 3.913
207 3HG2 VAL 26 2HG2 VAL 26 -9.592 1.395 2.968
208 H SER 27 H SER 27 -8.563 -0.352 7.701
209 HA SER 27 HA SER 27 -6.431 1.045 9.255
210 1HB SER 27 1HB SER 27 -7.864 -1.609 9.674
211 2HB SER 27 2HB SER 27 -6.338 -1.203 10.478
212 HG SER 27 HG SER 27 -7.273 0.429 11.542
213 H PHE 28 H PHE 28 -4.346 0.570 8.706
214 HA PHE 28 HA PHE 28 -3.794 -1.660 6.836
215 1HB PHE 28 1HB PHE 28 -2.429 -0.049 5.478
216 2HB PHE 28 2HB PHE 28 -4.163 0.151 5.355
217 HD1 PHE 28 HD2 PHE 28 -1.050 1.715 6.675
218 HD2 PHE 28 HD1 PHE 28 -5.324 2.131 6.199
219 HE1 PHE 28 HE2 PHE 28 -0.902 4.108 7.290
220 HE2 PHE 28 HE1 PHE 28 -5.156 4.519 6.814
221 HZ PHE 28 HZ PHE 28 -2.946 5.516 7.367
222 H GLN 29 H GLN 29 -1.767 -2.469 7.046
223 HA GLN 29 HA GLN 29 -0.162 -1.893 9.417
224 1HB GLN 29 1HB GLN 29 -0.753 -4.216 8.903
225 2HB GLN 29 2HB GLN 29 -0.158 -4.075 7.260
226 1HG GLN 29 1HG GLN 29 2.127 -3.909 7.993
227 2HG GLN 29 2HG GLN 29 1.632 -3.686 9.672
228 1HE2 GLN 29 2HE2 GLN 29 2.162 -7.466 8.365
229 2HE2 GLN 29 1HE2 GLN 29 2.199 -6.233 7.139
230 H GLU 30 H GLU 30 0.533 0.129 8.796
231 HA GLU 30 HA GLU 30 1.766 0.670 6.250
232 1HB GLU 30 1HB GLU 30 1.047 2.277 8.416
233 2HB GLU 30 2HB GLU 30 2.824 2.280 8.498
234 1HG GLU 30 1HG GLU 30 2.791 2.717 5.980
235 2HG GLU 30 2HG GLU 30 1.056 2.976 6.130
236 H LEU 31 H LEU 31 3.911 0.533 5.589
237 HA LEU 31 HA LEU 31 5.821 -0.947 7.344
238 1HB LEU 31 1HB LEU 31 5.029 -1.614 4.522
239 2HB LEU 31 2HB LEU 31 6.429 -2.284 5.353
240 HG LEU 31 HG LEU 31 3.524 -2.564 6.249
241 1HD1 LEU 31 1HD1 LEU 31 4.022 -3.708 4.181
242 2HD1 LEU 31 2HD1 LEU 31 5.440 -4.490 4.931
243 3HD1 LEU 31 3HD1 LEU 31 3.788 -4.867 5.506
244 1HD2 LEU 31 3HD2 LEU 31 6.055 -3.872 7.316
245 2HD2 LEU 31 1HD2 LEU 31 4.955 -2.787 8.206
246 3HD2 LEU 31 2HD2 LEU 31 4.393 -4.382 7.715
247 HA PRO 32 HA PRO 32 7.939 2.879 5.819
248 1HB PRO 32 1HB PRO 32 9.592 2.119 8.214
249 2HB PRO 32 2HB PRO 32 8.945 3.713 7.739
250 1HG PRO 32 1HG PRO 32 7.818 2.243 9.757
251 2HG PRO 32 2HG PRO 32 6.804 3.195 8.623
252 1HD PRO 32 1HD PRO 32 7.401 0.207 8.557
253 2HD PRO 32 2HD PRO 32 5.859 1.057 8.324
254 H ILE 33 H ILE 33 9.354 2.565 4.173
255 HA ILE 33 HA ILE 33 11.430 0.453 4.401
256 HB ILE 33 HB ILE 33 11.145 0.460 1.821
257 1HG1 ILE 33 1HG1 ILE 33 8.279 1.003 2.500
258 2HG1 ILE 33 2HG1 ILE 33 9.374 2.200 1.767
259 1HG2 ILE 33 3HG2 ILE 33 10.968 -1.432 3.370
260 2HG2 ILE 33 1HG2 ILE 33 9.267 -1.024 3.669
261 3HG2 ILE 33 2HG2 ILE 33 9.836 -1.569 2.060
262 1HD1 ILE 33 1HD1 ILE 33 8.701 -0.484 0.523
263 2HD1 ILE 33 2HD1 ILE 33 7.986 1.085 0.098
264 3HD1 ILE 33 3HD1 ILE 33 9.698 0.786 -0.182
265 H ASP 34 H ASP 34 11.971 2.951 5.323
266 HA ASP 34 HA ASP 34 14.355 3.403 3.669
267 1HB ASP 34 1HB ASP 34 14.501 5.715 4.003
268 2HB ASP 34 2HB ASP 34 13.007 5.413 3.225
269 H GLY 35 H GLY 35 16.197 3.663 4.982
270 1HA GLY 35 1HA GLY 35 17.443 3.294 6.934
271 2HA GLY 35 2HA GLY 35 15.944 3.232 7.892
272 H ASN 36 H ASN 36 14.409 1.447 6.722
273 HA ASN 36 HA ASN 36 15.728 -1.196 6.751
274 1HB ASN 36 1HB ASN 36 13.646 -1.369 7.813
275 2HB ASN 36 2HB ASN 36 12.911 -0.122 6.813
276 1HD2 ASN 36 2HD2 ASN 36 13.022 -3.696 4.880
277 2HD2 ASN 36 1HD2 ASN 36 14.472 -3.326 5.860
278 H ALA 37 H ALA 37 16.755 -1.776 4.910
279 HA ALA 37 HA ALA 37 15.383 -1.211 2.334
280 1HB ALA 37 1HB ALA 37 17.695 -0.286 2.502
281 2HB ALA 37 2HB ALA 37 18.293 -1.943 2.758
282 3HB ALA 37 3HB ALA 37 17.505 -1.513 1.230
283 H ALA 38 H ALA 38 16.500 -3.722 4.474
284 HA ALA 38 HA ALA 38 16.600 -5.831 2.618
285 1HB ALA 38 1HB ALA 38 17.420 -6.036 4.941
286 2HB ALA 38 2HB ALA 38 15.742 -6.137 5.529
287 3HB ALA 38 3HB ALA 38 16.392 -7.391 4.455
288 H LYS 39 H LYS 39 13.788 -5.299 4.810
289 HA LYS 39 HA LYS 39 11.991 -6.867 3.289
290 1HB LYS 39 1HB LYS 39 11.643 -5.808 5.657
291 2HB LYS 39 2HB LYS 39 11.102 -4.371 4.780
292 1HG LYS 39 1HG LYS 39 9.467 -6.117 3.577
293 2HG LYS 39 2HG LYS 39 9.787 -7.084 5.003
294 1HD LYS 39 1HD LYS 39 8.631 -4.282 4.906
295 2HD LYS 39 2HD LYS 39 7.740 -5.751 5.261
296 1HE LYS 39 1HE LYS 39 10.051 -4.733 6.975
297 2HE LYS 39 2HE LYS 39 8.390 -4.218 7.219
298 1HZ LYS 39 2HZ LYS 39 9.285 -7.034 7.376
299 2HZ LYS 39 3HZ LYS 39 9.005 -6.020 8.641
300 3HZ LYS 39 1HZ LYS 39 7.759 -6.467 7.652
301 H ARG 40 H ARG 40 13.067 -3.515 2.607
302 HA ARG 40 HA ARG 40 10.966 -3.011 0.699
303 1HB ARG 40 1HB ARG 40 12.514 -1.217 1.603
304 2HB ARG 40 2HB ARG 40 13.814 -1.896 0.636
305 1HG ARG 40 1HG ARG 40 12.744 -1.459 -1.405
306 2HG ARG 40 2HG ARG 40 11.182 -1.150 -0.645
307 1HD ARG 40 1HD ARG 40 12.530 0.855 -1.603
308 2HD ARG 40 2HD ARG 40 11.729 1.047 -0.082
309 HE ARG 40 HE ARG 40 13.638 1.132 1.099
310 1HH1 ARG 40 2HH2 ARG 40 14.334 0.881 -2.379
311 2HH1 ARG 40 1HH2 ARG 40 16.035 1.072 -2.212
312 1HH2 ARG 40 2HH1 ARG 40 15.928 1.394 1.351
313 2HH2 ARG 40 1HH1 ARG 40 16.958 1.390 -0.026
314 H GLU 41 H GLU 41 14.241 -4.470 0.458
315 HA GLU 41 HA GLU 41 14.138 -4.998 -2.301
316 1HB GLU 41 1HB GLU 41 16.078 -5.059 -0.519
317 2HB GLU 41 2HB GLU 41 15.601 -6.755 -0.318
318 1HG GLU 41 1HG GLU 41 15.796 -6.922 -2.886
319 2HG GLU 41 2HG GLU 41 16.558 -5.326 -2.819
320 H GLU 42 H GLU 42 13.065 -6.959 0.516
321 HA GLU 42 HA GLU 42 12.330 -9.311 -0.901
322 1HB GLU 42 1HB GLU 42 12.515 -9.000 1.618
323 2HB GLU 42 2HB GLU 42 11.036 -8.048 1.571
324 1HG GLU 42 1HG GLU 42 9.810 -9.971 0.639
325 2HG GLU 42 2HG GLU 42 11.309 -10.935 0.700
326 H MET 43 H MET 43 10.443 -6.414 -0.033
327 HA MET 43 HA MET 43 8.028 -7.083 -1.316
328 1HB MET 43 1HB MET 43 8.288 -5.427 0.418
329 2HB MET 43 2HB MET 43 9.277 -4.394 -0.604
330 1HG MET 43 1HG MET 43 6.434 -5.189 -1.264
331 2HG MET 43 2HG MET 43 6.846 -3.751 -0.345
332 1HE MET 43 1HE MET 43 9.344 -2.401 -1.743
333 2HE MET 43 2HE MET 43 8.548 -1.381 -2.953
334 3HE MET 43 3HE MET 43 7.867 -1.496 -1.321
335 H ILE 44 H ILE 44 10.928 -5.392 -2.627
336 HA ILE 44 HA ILE 44 9.837 -4.583 -5.084
337 HB ILE 44 HB ILE 44 12.635 -5.340 -4.214
338 1HG1 ILE 44 1HG1 ILE 44 11.390 -2.739 -5.128
339 2HG1 ILE 44 2HG1 ILE 44 11.428 -3.204 -3.469
340 1HG2 ILE 44 1HG2 ILE 44 11.839 -4.410 -6.999
341 2HG2 ILE 44 2HG2 ILE 44 13.493 -4.395 -6.381
342 3HG2 ILE 44 3HG2 ILE 44 12.657 -5.930 -6.572
343 1HD1 ILE 44 2HD1 ILE 44 13.949 -3.218 -3.556
344 2HD1 ILE 44 3HD1 ILE 44 13.842 -2.563 -5.206
345 3HD1 ILE 44 1HD1 ILE 44 13.202 -1.638 -3.848
346 H LYS 45 H LYS 45 10.941 -7.817 -4.086
347 HA LYS 45 HA LYS 45 10.612 -9.009 -6.695
348 1HB LYS 45 1HB LYS 45 11.858 -9.910 -4.583
349 2HB LYS 45 2HB LYS 45 10.288 -10.487 -4.053
350 1HG LYS 45 1HG LYS 45 10.333 -12.241 -5.452
351 2HG LYS 45 2HG LYS 45 10.727 -11.247 -6.851
352 1HD LYS 45 1HD LYS 45 12.772 -12.201 -4.800
353 2HD LYS 45 2HD LYS 45 12.426 -12.993 -6.347
354 1HE LYS 45 1HE LYS 45 13.038 -10.909 -7.566
355 2HE LYS 45 2HE LYS 45 13.412 -10.122 -6.026
356 1HZ LYS 45 2HZ LYS 45 15.126 -11.773 -5.673
357 2HZ LYS 45 3HZ LYS 45 14.819 -12.458 -7.148
358 3HZ LYS 45 1HZ LYS 45 15.400 -10.900 -7.018
359 H ARG 46 H ARG 46 8.474 -8.787 -3.828
360 HA ARG 46 HA ARG 46 6.291 -10.248 -4.982
361 1HB ARG 46 1HB ARG 46 6.295 -8.170 -2.737
362 2HB ARG 46 2HB ARG 46 4.865 -9.027 -3.295
363 1HG ARG 46 1HG ARG 46 5.496 -10.229 -1.440
364 2HG ARG 46 2HG ARG 46 6.016 -11.206 -2.820
365 1HD ARG 46 1HD ARG 46 8.302 -10.269 -2.526
366 2HD ARG 46 2HD ARG 46 7.753 -9.393 -1.085
367 HE ARG 46 HE ARG 46 7.050 -11.817 -0.358
368 1HH1 ARG 46 2HH2 ARG 46 10.064 -10.745 -1.894
369 2HH1 ARG 46 1HH2 ARG 46 10.991 -12.135 -1.470
370 1HH2 ARG 46 2HH1 ARG 46 8.250 -13.635 0.319
371 2HH2 ARG 46 1HH1 ARG 46 9.961 -13.745 0.020
372 H SER 47 H SER 47 6.873 -6.698 -4.904
373 HA SER 47 HA SER 47 4.361 -6.124 -6.238
374 1HB SER 47 1HB SER 47 5.356 -3.823 -6.413
375 2HB SER 47 2HB SER 47 5.358 -4.450 -4.760
376 HG SER 47 HG SER 47 7.503 -4.654 -4.814
377 H GLY 48 H GLY 48 7.590 -6.961 -7.296
378 1HA GLY 48 1HA GLY 48 8.506 -7.236 -9.346
379 2HA GLY 48 2HA GLY 48 6.936 -6.937 -10.114
380 H ARG 49 H ARG 49 8.117 -4.513 -7.789
381 HA ARG 49 HA ARG 49 8.832 -2.616 -9.940
382 1HB ARG 49 1HB ARG 49 6.496 -2.435 -7.987
383 2HB ARG 49 2HB ARG 49 7.185 -0.995 -8.749
384 1HG ARG 49 1HG ARG 49 6.591 -1.671 -10.914
385 2HG ARG 49 2HG ARG 49 6.206 -3.327 -10.413
386 1HD ARG 49 1HD ARG 49 4.463 -1.873 -8.844
387 2HD ARG 49 2HD ARG 49 4.535 -0.898 -10.325
388 HE ARG 49 HE ARG 49 4.166 -3.801 -10.671
389 1HH1 ARG 49 2HH2 ARG 49 2.497 -0.674 -10.593
390 2HH1 ARG 49 1HH2 ARG 49 1.181 -1.219 -11.557
391 1HH2 ARG 49 2HH1 ARG 49 2.404 -4.585 -11.660
392 2HH2 ARG 49 1HH1 ARG 49 1.033 -3.590 -12.089
393 H THR 50 H THR 50 9.562 -0.509 -8.799
394 HA THR 50 HA THR 50 10.951 -1.185 -6.250
395 HB THR 50 HB THR 50 11.912 -0.225 -8.897
396 HG1 THR 50 HG1 THR 50 12.839 -2.029 -8.743
397 1HG2 THR 50 2HG2 THR 50 13.461 0.224 -6.316
398 2HG2 THR 50 3HG2 THR 50 14.077 0.416 -7.972
399 3HG2 THR 50 1HG2 THR 50 12.828 1.514 -7.373
400 H THR 51 H THR 51 8.854 1.091 -7.895
401 HA THR 51 HA THR 51 9.575 3.297 -6.163
402 HB THR 51 HB THR 51 7.360 4.204 -7.031
403 HG1 THR 51 HG1 THR 51 6.198 2.487 -7.595
404 1HG2 THR 51 3HG2 THR 51 9.501 4.743 -8.114
405 2HG2 THR 51 1HG2 THR 51 9.378 3.290 -9.120
406 3HG2 THR 51 2HG2 THR 51 8.191 4.592 -9.293
407 H VAL 52 H VAL 52 7.928 4.254 -4.660
408 HA VAL 52 HA VAL 52 6.186 2.285 -3.327
409 HB VAL 52 HB VAL 52 6.788 3.160 -1.231
410 1HG1 VAL 52 1HG1 VAL 52 8.594 1.748 -2.208
411 2HG1 VAL 52 2HG1 VAL 52 9.443 3.233 -2.703
412 3HG1 VAL 52 3HG1 VAL 52 9.158 2.922 -0.988
413 1HG2 VAL 52 3HG2 VAL 52 8.204 5.440 -2.633
414 2HG2 VAL 52 1HG2 VAL 52 6.744 5.515 -1.607
415 3HG2 VAL 52 2HG2 VAL 52 8.296 5.098 -0.893
416 HA PRO 53 HA PRO 53 4.691 2.865 -1.394
417 1HB PRO 53 1HB PRO 53 2.024 2.821 -1.031
418 2HB PRO 53 2HB PRO 53 3.007 4.221 -0.501
419 1HG PRO 53 1HG PRO 53 1.391 3.914 -3.048
420 2HG PRO 53 2HG PRO 53 1.418 5.308 -1.917
421 1HD PRO 53 1HD PRO 53 2.925 5.135 -4.233
422 2HD PRO 53 2HD PRO 53 3.440 6.091 -2.809
423 H GLN 54 H GLN 54 3.490 0.760 -1.225
424 HA GLN 54 HA GLN 54 2.533 -0.423 -3.749
425 1HB GLN 54 1HB GLN 54 4.775 -1.581 -2.011
426 2HB GLN 54 2HB GLN 54 3.961 -2.449 -3.299
427 1HG GLN 54 1HG GLN 54 5.551 0.126 -3.721
428 2HG GLN 54 2HG GLN 54 6.230 -1.466 -3.898
429 1HE2 GLN 54 2HE2 GLN 54 5.359 -0.289 -7.274
430 2HE2 GLN 54 1HE2 GLN 54 6.454 0.140 -5.962
431 H ILE 55 H ILE 55 0.642 -1.747 -3.146
432 HA ILE 55 HA ILE 55 0.221 -1.950 -0.232
433 HB ILE 55 HB ILE 55 -1.772 -1.391 -2.470
434 1HG1 ILE 55 1HG1 ILE 55 -2.071 0.644 -0.659
435 2HG1 ILE 55 2HG1 ILE 55 -0.382 0.307 -0.435
436 1HG2 ILE 55 1HG2 ILE 55 -2.722 -2.860 -0.677
437 2HG2 ILE 55 2HG2 ILE 55 -2.242 -1.657 0.537
438 3HG2 ILE 55 3HG2 ILE 55 -3.448 -1.269 -0.701
439 1HD1 ILE 55 3HD1 ILE 55 -1.708 1.013 -3.080
440 2HD1 ILE 55 1HD1 ILE 55 -0.783 2.126 -2.059
441 3HD1 ILE 55 2HD1 ILE 55 0.037 0.773 -2.854
442 H PHE 56 H PHE 56 -0.584 -3.868 0.466
443 HA PHE 56 HA PHE 56 -0.936 -6.074 -1.443
444 1HB PHE 56 1HB PHE 56 0.765 -6.114 1.095
445 2HB PHE 56 2HB PHE 56 0.260 -7.550 0.200
446 HD1 PHE 56 HD2 PHE 56 1.240 -8.113 -2.006
447 HD2 PHE 56 HD1 PHE 56 2.445 -4.584 0.146
448 HE1 PHE 56 HE2 PHE 56 3.134 -7.809 -3.554
449 HE2 PHE 56 HE1 PHE 56 4.341 -4.267 -1.426
450 HZ PHE 56 HZ PHE 56 4.700 -5.913 -3.279
451 H ILE 57 H ILE 57 -2.740 -7.269 -0.856
452 HA ILE 57 HA ILE 57 -3.885 -6.814 1.852
453 HB ILE 57 HB ILE 57 -5.581 -6.840 -0.662
454 1HG1 ILE 57 1HG1 ILE 57 -4.787 -4.467 1.099
455 2HG1 ILE 57 2HG1 ILE 57 -4.289 -4.739 -0.558
456 1HG2 ILE 57 1HG2 ILE 57 -6.188 -6.403 2.310
457 2HG2 ILE 57 2HG2 ILE 57 -7.370 -6.206 1.001
458 3HG2 ILE 57 3HG2 ILE 57 -6.673 -7.789 1.325
459 1HD1 ILE 57 2HD1 ILE 57 -6.809 -4.764 -1.147
460 2HD1 ILE 57 3HD1 ILE 57 -7.036 -3.992 0.431
461 3HD1 ILE 57 1HD1 ILE 57 -6.024 -3.218 -0.809
462 H ASP 58 H ASP 58 -4.169 -8.744 2.827
463 HA ASP 58 HA ASP 58 -3.726 -10.981 3.132
464 1HB ASP 58 1HB ASP 58 -5.843 -10.943 1.019
465 2HB ASP 58 2HB ASP 58 -5.398 -12.414 1.903
466 H ALA 59 H ALA 59 -1.844 -9.957 1.775
467 HA ALA 59 HA ALA 59 0.134 -10.407 0.793
468 1HB ALA 59 2HB ALA 59 -0.191 -12.786 1.491
469 2HB ALA 59 3HB ALA 59 -0.930 -13.112 -0.096
470 3HB ALA 59 1HB ALA 59 0.755 -12.588 -0.002
471 H GLN 60 H GLN 60 -2.778 -10.327 -1.030
472 HA GLN 60 HA GLN 60 -1.588 -10.632 -3.651
473 1HB GLN 60 1HB GLN 60 -4.172 -10.665 -2.569
474 2HB GLN 60 2HB GLN 60 -4.164 -9.189 -3.522
475 1HG GLN 60 1HG GLN 60 -3.427 -10.471 -5.511
476 2HG GLN 60 2HG GLN 60 -3.339 -11.942 -4.533
477 1HE2 GLN 60 2HE2 GLN 60 -7.024 -12.078 -4.145
478 2HE2 GLN 60 1HE2 GLN 60 -5.573 -12.184 -3.145
479 H HIS 61 H HIS 61 -0.379 -9.118 -4.622
480 HA HIS 61 HA HIS 61 -0.042 -6.433 -3.654
481 1HB HIS 61 1HB HIS 61 1.634 -7.706 -5.095
482 2HB HIS 61 2HB HIS 61 0.494 -7.676 -6.411
483 HD1 HIS 61 HD1 HIS 61 1.904 -6.323 -8.079
484 HD2 HIS 61 HD2 HIS 61 1.653 -4.612 -4.227
485 HE1 HIS 61 HE1 HIS 61 2.998 -4.000 -8.223
486 HE2 HIS 61 HE2 HIS 61 2.791 -2.920 -5.953
487 H ILE 62 H ILE 62 -0.917 -4.507 -4.409
488 HA ILE 62 HA ILE 62 -3.284 -4.667 -6.176
489 HB ILE 62 HB ILE 62 -2.154 -2.221 -4.765
490 1HG1 ILE 62 1HG1 ILE 62 -2.606 -3.688 -3.005
491 2HG1 ILE 62 2HG1 ILE 62 -3.961 -2.589 -3.090
492 1HG2 ILE 62 3HG2 ILE 62 -4.878 -2.796 -6.008
493 2HG2 ILE 62 1HG2 ILE 62 -4.466 -1.364 -5.050
494 3HG2 ILE 62 2HG2 ILE 62 -3.663 -1.648 -6.598
495 1HD1 ILE 62 3HD1 ILE 62 -5.293 -4.343 -4.345
496 2HD1 ILE 62 1HD1 ILE 62 -3.975 -5.493 -4.034
497 3HD1 ILE 62 2HD1 ILE 62 -4.869 -4.791 -2.695
498 H GLY 63 H GLY 63 -0.732 -2.154 -6.114
499 1HA GLY 63 1HA GLY 63 0.506 -2.688 -8.603
500 2HA GLY 63 2HA GLY 63 -0.893 -1.637 -8.875
501 H GLY 64 H GLY 64 -1.079 0.150 -7.009
502 1HA GLY 64 1HA GLY 64 1.184 1.259 -5.726
503 2HA GLY 64 2HA GLY 64 0.915 2.007 -7.313
504 H TYR 65 H TYR 65 0.274 3.971 -6.054
505 HA TYR 65 HA TYR 65 -1.976 3.866 -4.182
506 1HB TYR 65 1HB TYR 65 -0.328 5.499 -3.632
507 2HB TYR 65 2HB TYR 65 -0.247 6.066 -5.278
508 HD1 TYR 65 HD2 TYR 65 -2.540 5.908 -2.347
509 HD2 TYR 65 HD1 TYR 65 -1.609 7.897 -6.035
510 HE1 TYR 65 HE2 TYR 65 -4.028 7.830 -1.733
511 HE2 TYR 65 HE1 TYR 65 -3.086 9.751 -5.444
512 HH TYR 65 HH TYR 65 -4.806 10.442 -3.990
513 H ASP 66 H ASP 66 -1.403 5.211 -7.530
514 HA ASP 66 HA ASP 66 -4.078 6.200 -7.819
515 1HB ASP 66 1HB ASP 66 -2.047 5.281 -9.897
516 2HB ASP 66 2HB ASP 66 -3.640 5.873 -10.323
517 H ASP 67 H ASP 67 -2.522 3.090 -8.460
518 HA ASP 67 HA ASP 67 -4.702 1.753 -9.701
519 1HB ASP 67 1HB ASP 67 -2.508 0.593 -7.941
520 2HB ASP 67 2HB ASP 67 -3.660 -0.369 -8.859
521 H LEU 68 H LEU 68 -3.696 1.906 -6.232
522 HA LEU 68 HA LEU 68 -5.891 0.359 -5.286
523 1HB LEU 68 1HB LEU 68 -3.880 0.794 -3.887
524 2HB LEU 68 2HB LEU 68 -4.298 2.503 -3.812
525 HG LEU 68 HG LEU 68 -6.481 1.905 -2.686
526 1HD1 LEU 68 1HD1 LEU 68 -5.302 -0.904 -2.569
527 2HD1 LEU 68 2HD1 LEU 68 -6.756 -0.351 -1.732
528 3HD1 LEU 68 3HD1 LEU 68 -6.755 -0.428 -3.476
529 1HD2 LEU 68 1HD2 LEU 68 -4.443 2.533 -1.400
530 2HD2 LEU 68 2HD2 LEU 68 -5.668 1.590 -0.545
531 3HD2 LEU 68 3HD2 LEU 68 -4.189 0.795 -1.112
532 H TYR 69 H TYR 69 -5.457 3.843 -5.686
533 HA TYR 69 HA TYR 69 -7.735 4.741 -4.356
534 1HB TYR 69 1HB TYR 69 -5.951 6.222 -5.338
535 2HB TYR 69 2HB TYR 69 -6.635 5.966 -6.929
536 HD1 TYR 69 HD1 TYR 69 -9.322 6.513 -7.129
537 HD2 TYR 69 HD2 TYR 69 -6.637 8.124 -4.139
538 HE1 TYR 69 HE1 TYR 69 -10.964 8.228 -6.601
539 HE2 TYR 69 HE2 TYR 69 -8.286 9.875 -3.622
540 HH TYR 69 HH TYR 69 -11.602 9.798 -4.959
541 H ALA 70 H ALA 70 -7.427 3.780 -7.794
542 HA ALA 70 HA ALA 70 -10.225 4.197 -8.404
543 1HB ALA 70 2HB ALA 70 -8.110 2.477 -9.778
544 2HB ALA 70 3HB ALA 70 -9.707 2.872 -10.448
545 3HB ALA 70 1HB ALA 70 -8.530 4.163 -10.161
546 H LEU 71 H LEU 71 -8.307 1.410 -7.306
547 HA LEU 71 HA LEU 71 -10.368 -0.567 -7.472
548 1HB LEU 71 1HB LEU 71 -7.788 -0.801 -7.054
549 2HB LEU 71 2HB LEU 71 -8.178 -0.526 -5.374
550 HG LEU 71 HG LEU 71 -7.913 -2.855 -5.801
551 1HD1 LEU 71 2HD1 LEU 71 -9.592 -2.148 -4.140
552 2HD1 LEU 71 3HD1 LEU 71 -10.849 -2.505 -5.364
553 3HD1 LEU 71 1HD1 LEU 71 -9.782 -3.783 -4.778
554 1HD2 LEU 71 2HD2 LEU 71 -8.608 -2.890 -8.217
555 2HD2 LEU 71 3HD2 LEU 71 -9.271 -4.210 -7.241
556 3HD2 LEU 71 1HD2 LEU 71 -10.300 -2.835 -7.670
557 H ASP 72 H ASP 72 -9.407 1.678 -4.846
558 HA ASP 72 HA ASP 72 -11.347 0.691 -2.953
559 1HB ASP 72 1HB ASP 72 -9.093 1.869 -2.535
560 2HB ASP 72 2HB ASP 72 -9.917 3.371 -2.937
561 H ALA 73 H ALA 73 -11.260 3.274 -5.381
562 HA ALA 73 HA ALA 73 -13.768 4.460 -4.679
563 1HB ALA 73 1HB ALA 73 -12.037 5.651 -6.010
564 2HB ALA 73 2HB ALA 73 -12.303 4.504 -7.345
565 3HB ALA 73 3HB ALA 73 -13.601 5.598 -6.841
566 H ARG 74 H ARG 74 -12.972 1.666 -6.601
567 HA ARG 74 HA ARG 74 -15.717 1.317 -7.535
568 1HB ARG 74 1HB ARG 74 -14.952 -0.419 -8.740
569 2HB ARG 74 2HB ARG 74 -13.480 0.474 -8.597
570 1HG ARG 74 1HG ARG 74 -12.427 -1.313 -7.772
571 2HG ARG 74 2HG ARG 74 -13.522 -1.405 -6.423
572 1HD ARG 74 1HD ARG 74 -14.300 -2.620 -9.063
573 2HD ARG 74 2HD ARG 74 -13.259 -3.454 -7.897
574 HE ARG 74 HE ARG 74 -15.822 -2.322 -6.957
575 1HH1 ARG 74 2HH2 ARG 74 -13.970 -5.336 -7.604
576 2HH1 ARG 74 1HH2 ARG 74 -15.113 -6.310 -6.719
577 1HH2 ARG 74 2HH1 ARG 74 -17.177 -3.644 -5.686
578 2HH2 ARG 74 1HH1 ARG 74 -17.054 -5.350 -5.830
579 H GLY 75 H GLY 75 -14.253 1.013 -4.536
580 1HA GLY 75 1HA GLY 75 -14.957 0.169 -2.547
581 2HA GLY 75 2HA GLY 75 -16.446 -0.396 -3.319
582 H GLY 76 H GLY 76 -13.150 -1.404 -4.513
583 1HA GLY 76 1HA GLY 76 -14.032 -4.195 -4.042
584 2HA GLY 76 2HA GLY 76 -12.791 -3.624 -5.160
585 H LEU 77 H LEU 77 -11.897 -1.840 -2.704
586 HA LEU 77 HA LEU 77 -9.932 -3.663 -1.539
587 1HB LEU 77 1HB LEU 77 -9.625 -1.168 -1.948
588 2HB LEU 77 2HB LEU 77 -10.846 -0.844 -0.746
589 HG LEU 77 HG LEU 77 -8.047 -1.888 -0.364
590 1HD1 LEU 77 2HD1 LEU 77 -8.427 0.562 -0.534
591 2HD1 LEU 77 3HD1 LEU 77 -9.603 0.471 0.774
592 3HD1 LEU 77 1HD1 LEU 77 -7.910 0.125 1.109
593 1HD2 LEU 77 2HD2 LEU 77 -10.179 -1.843 1.808
594 2HD2 LEU 77 3HD2 LEU 77 -9.193 -3.233 1.278
595 3HD2 LEU 77 1HD2 LEU 77 -8.431 -1.897 2.112
596 H ASP 78 H ASP 78 -12.948 -2.010 -0.666
597 HA ASP 78 HA ASP 78 -12.946 -2.429 2.035
598 1HB ASP 78 1HB ASP 78 -14.546 -1.150 0.310
599 2HB ASP 78 2HB ASP 78 -15.630 -2.466 0.742
600 HA PRO 79 HA PRO 79 -15.417 -6.475 1.920
601 1HB PRO 79 1HB PRO 79 -15.437 -8.118 -0.263
602 2HB PRO 79 2HB PRO 79 -16.625 -6.814 0.008
603 1HG PRO 79 1HG PRO 79 -14.093 -6.695 -1.666
604 2HG PRO 79 2HG PRO 79 -15.754 -6.184 -2.131
605 1HD PRO 79 1HD PRO 79 -13.968 -4.396 -1.256
606 2HD PRO 79 2HD PRO 79 -15.670 -4.291 -0.727
607 H LEU 80 H LEU 80 -12.196 -6.088 0.715
608 HA LEU 80 HA LEU 80 -11.315 -8.762 1.637
609 1HB LEU 80 1HB LEU 80 -9.803 -6.357 0.566
610 2HB LEU 80 2HB LEU 80 -9.049 -7.846 1.100
611 HG LEU 80 HG LEU 80 -11.134 -7.898 -1.095
612 1HD1 LEU 80 1HD1 LEU 80 -8.148 -7.414 -1.394
613 2HD1 LEU 80 2HD1 LEU 80 -9.279 -7.786 -2.719
614 3HD1 LEU 80 3HD1 LEU 80 -9.471 -6.286 -1.792
615 1HD2 LEU 80 1HD2 LEU 80 -8.821 -9.733 -0.284
616 2HD2 LEU 80 2HD2 LEU 80 -10.555 -10.072 -0.118
617 3HD2 LEU 80 3HD2 LEU 80 -9.829 -9.960 -1.726
618 H LEU 81 H LEU 81 -12.156 -5.792 3.078
619 HA LEU 81 HA LEU 81 -10.171 -5.953 5.220
620 1HB LEU 81 1HB LEU 81 -11.512 -3.865 4.163
621 2HB LEU 81 2HB LEU 81 -12.658 -4.276 5.413
622 HG LEU 81 HG LEU 81 -11.143 -2.473 6.046
623 1HD1 LEU 81 1HD1 LEU 81 -11.902 -3.970 7.881
624 2HD1 LEU 81 2HD1 LEU 81 -10.357 -4.848 7.755
625 3HD1 LEU 81 3HD1 LEU 81 -10.390 -3.122 8.209
626 1HD2 LEU 81 2HD2 LEU 81 -9.218 -3.187 4.670
627 2HD2 LEU 81 3HD2 LEU 81 -8.760 -2.719 6.321
628 3HD2 LEU 81 1HD2 LEU 81 -8.819 -4.429 5.877
629 H LYS 82 H LYS 82 -11.939 -8.320 4.599
630 HA LYS 82 HA LYS 82 -12.914 -8.824 7.314
631 1HB LYS 82 1HB LYS 82 -14.766 -8.224 5.559
632 2HB LYS 82 2HB LYS 82 -14.422 -9.800 4.855
633 1HG LYS 82 1HG LYS 82 -14.957 -9.637 7.821
634 2HG LYS 82 2HG LYS 82 -16.308 -9.285 6.758
635 1HD LYS 82 1HD LYS 82 -14.697 -11.825 6.472
636 2HD LYS 82 2HD LYS 82 -16.075 -11.677 7.572
637 1HE LYS 82 1HE LYS 82 -17.534 -11.069 5.698
638 2HE LYS 82 2HE LYS 82 -16.183 -11.164 4.563
639 1HZ LYS 82 2HZ LYS 82 -17.140 -13.451 6.184
640 2HZ LYS 82 3HZ LYS 82 -17.582 -13.166 4.616
641 3HZ LYS 82 1HZ LYS 82 -16.015 -13.497 4.987
642 1HB2 GTT 83 1HB2 GTT 83 9.048 8.129 -3.484
643 2HB2 GTT 83 2HB2 GTT 83 9.365 9.526 -4.483
644 HA2 GTT 83 HA2 GTT 83 8.910 8.490 -6.412
645 HN2 GTT 83 HN2 GTT 83 7.022 6.491 -5.382
646 1HG1 GTT 83 1HG1 GTT 83 4.538 7.026 -7.207
647 2HG1 GTT 83 2HG1 GTT 83 5.702 5.725 -6.944
648 1HB1 GTT 83 1HB1 GTT 83 6.688 6.415 -9.227
649 2HB1 GTT 83 2HB1 GTT 83 5.237 7.397 -9.439
650 HA1 GTT 83 HA1 GTT 83 5.469 4.371 -9.191
651 1HN1 GTT 83 1HN1 GTT 83 4.432 6.203 -11.218
652 2HN1 GTT 83 2HN1 GTT 83 5.647 5.090 -11.382
653 3HN1 GTT 83 3HN1 GTT 83 4.065 4.618 -11.216
654 HN3 GTT 83 HN3 GTT 83 11.158 7.811 -5.234
655 1HA3 GTT 83 1HA3 GTT 83 11.262 5.127 -4.193
656 2HA3 GTT 83 2HA3 GTT 83 12.000 5.261 -5.808
No H/Q in entry = 656
Start of MODEL 18
1 1H ALA 1 3H ALA 1 -7.081 -8.901 8.529
2 2H ALA 1 1H ALA 1 -7.291 -7.535 9.430
3 3H ALA 1 2H ALA 1 -8.603 -8.288 8.752
4 HA ALA 1 HA ALA 1 -7.770 -7.838 6.568
5 1HB ALA 1 2HB ALA 1 -9.360 -6.247 7.560
6 2HB ALA 1 3HB ALA 1 -8.014 -5.328 8.266
7 3HB ALA 1 1HB ALA 1 -8.167 -5.451 6.507
8 H ASN 2 H ASN 2 -5.828 -8.242 5.740
9 HA ASN 2 HA ASN 2 -3.386 -7.076 7.015
10 1HB ASN 2 1HB ASN 2 -3.674 -9.562 6.842
11 2HB ASN 2 2HB ASN 2 -3.732 -9.421 5.093
12 1HD2 ASN 2 2HD2 ASN 2 -0.182 -8.751 4.702
13 2HD2 ASN 2 1HD2 ASN 2 -1.748 -8.279 4.118
14 H VAL 3 H VAL 3 -4.521 -5.159 5.953
15 HA VAL 3 HA VAL 3 -4.024 -4.700 3.088
16 HB VAL 3 HB VAL 3 -5.123 -2.944 5.318
17 1HG1 VAL 3 2HG1 VAL 3 -5.097 -2.389 2.319
18 2HG1 VAL 3 3HG1 VAL 3 -5.928 -1.417 3.550
19 3HG1 VAL 3 1HG1 VAL 3 -4.167 -1.518 3.547
20 1HG2 VAL 3 2HG2 VAL 3 -6.647 -4.837 4.728
21 2HG2 VAL 3 3HG2 VAL 3 -7.312 -3.232 4.425
22 3HG2 VAL 3 1HG2 VAL 3 -6.720 -4.200 3.073
23 H GLU 4 H GLU 4 -1.653 -4.952 3.120
24 HA GLU 4 HA GLU 4 -0.166 -3.333 5.142
25 1HB GLU 4 1HB GLU 4 0.837 -5.198 2.960
26 2HB GLU 4 2HB GLU 4 1.845 -4.279 4.042
27 1HG GLU 4 1HG GLU 4 1.185 -5.555 5.950
28 2HG GLU 4 2HG GLU 4 -0.187 -6.269 5.098
29 H ILE 5 H ILE 5 0.972 -1.491 4.507
30 HA ILE 5 HA ILE 5 0.989 -0.805 1.647
31 HB ILE 5 HB ILE 5 -0.827 0.472 2.365
32 1HG1 ILE 5 1HG1 ILE 5 1.588 2.328 2.398
33 2HG1 ILE 5 2HG1 ILE 5 1.020 1.533 0.950
34 1HG2 ILE 5 2HG2 ILE 5 -0.373 0.387 4.865
35 2HG2 ILE 5 3HG2 ILE 5 0.772 1.718 4.622
36 3HG2 ILE 5 1HG2 ILE 5 -0.957 1.927 4.250
37 1HD1 ILE 5 1HD1 ILE 5 -0.645 3.461 2.604
38 2HD1 ILE 5 2HD1 ILE 5 0.256 3.885 1.147
39 3HD1 ILE 5 3HD1 ILE 5 -1.097 2.743 1.047
40 H TYR 6 H TYR 6 2.978 -0.669 1.043
41 HA TYR 6 HA TYR 6 5.204 -0.245 2.924
42 1HB TYR 6 1HB TYR 6 4.966 -0.861 -0.023
43 2HB TYR 6 2HB TYR 6 6.447 -0.167 0.626
44 HD1 TYR 6 HD1 TYR 6 7.818 -1.286 2.238
45 HD2 TYR 6 HD2 TYR 6 4.296 -3.173 0.700
46 HE1 TYR 6 HE1 TYR 6 8.620 -3.462 3.141
47 HE2 TYR 6 HE2 TYR 6 5.074 -5.373 1.572
48 HH TYR 6 HH TYR 6 6.546 -6.324 3.223
49 H THR 7 H THR 7 6.298 1.606 3.169
50 HA THR 7 HA THR 7 5.410 4.090 1.827
51 HB THR 7 HB THR 7 5.136 5.047 4.151
52 HG1 THR 7 HG1 THR 7 5.550 2.337 4.832
53 1HG2 THR 7 3HG2 THR 7 3.115 4.147 2.838
54 2HG2 THR 7 1HG2 THR 7 3.215 2.727 3.897
55 3HG2 THR 7 2HG2 THR 7 2.947 4.329 4.595
56 H LYS 8 H LYS 8 6.921 5.938 2.514
57 HA LYS 8 HA LYS 8 9.262 5.136 3.972
58 1HB LYS 8 1HB LYS 8 10.942 5.830 2.538
59 2HB LYS 8 2HB LYS 8 9.976 4.704 1.609
60 1HG LYS 8 1HG LYS 8 8.996 6.599 0.341
61 2HG LYS 8 2HG LYS 8 9.870 7.748 1.369
62 1HD LYS 8 1HD LYS 8 11.207 7.597 -0.560
63 2HD LYS 8 2HD LYS 8 12.039 6.612 0.644
64 1HE LYS 8 1HE LYS 8 10.680 4.620 -0.392
65 2HE LYS 8 2HE LYS 8 10.370 5.725 -1.744
66 1HZ LYS 8 1HZ LYS 8 12.788 5.880 -2.030
67 2HZ LYS 8 2HZ LYS 8 13.001 4.796 -0.776
68 3HZ LYS 8 3HZ LYS 8 12.248 4.345 -2.158
69 H GLU 9 H GLU 9 10.501 7.402 4.432
70 HA GLU 9 HA GLU 9 8.463 9.185 5.416
71 1HB GLU 9 1HB GLU 9 10.667 8.688 6.590
72 2HB GLU 9 2HB GLU 9 11.494 9.594 5.330
73 1HG GLU 9 1HG GLU 9 11.109 10.994 7.312
74 2HG GLU 9 2HG GLU 9 10.267 11.635 5.903
75 H THR 10 H THR 10 11.183 9.518 3.101
76 HA THR 10 HA THR 10 10.155 12.081 2.228
77 HB THR 10 HB THR 10 12.499 11.670 2.646
78 HG1 THR 10 HG1 THR 10 12.970 12.503 0.269
79 1HG2 THR 10 1HG2 THR 10 12.805 9.389 1.687
80 2HG2 THR 10 2HG2 THR 10 12.699 10.092 0.057
81 3HG2 THR 10 3HG2 THR 10 13.998 10.581 1.151
82 H CYS 11 H CYS 11 8.071 10.954 1.708
83 HA CYS 11 HA CYS 11 7.839 10.884 -1.187
84 1HB CYS 11 1HB CYS 11 8.390 8.545 -0.750
85 2HB CYS 11 2HB CYS 11 7.125 8.447 0.482
86 HA PRO 12 HA PRO 12 4.260 12.815 0.952
87 1HB PRO 12 1HB PRO 12 3.494 14.425 -1.115
88 2HB PRO 12 2HB PRO 12 4.717 14.881 0.111
89 1HG PRO 12 1HG PRO 12 5.194 13.775 -2.667
90 2HG PRO 12 2HG PRO 12 6.049 15.123 -1.860
91 1HD PRO 12 1HD PRO 12 7.112 12.635 -1.932
92 2HD PRO 12 2HD PRO 12 7.291 13.614 -0.474
93 H TYR 13 H TYR 13 4.454 11.484 -2.394
94 HA TYR 13 HA TYR 13 1.716 10.868 -2.823
95 1HB TYR 13 1HB TYR 13 3.746 10.817 -4.372
96 2HB TYR 13 2HB TYR 13 4.204 9.314 -3.609
97 HD1 TYR 13 HD2 TYR 13 1.212 10.856 -5.364
98 HD2 TYR 13 HD1 TYR 13 3.716 7.393 -4.760
99 HE1 TYR 13 HE2 TYR 13 0.048 9.702 -7.207
100 HE2 TYR 13 HE1 TYR 13 2.477 6.189 -6.520
101 HH TYR 13 HH TYR 13 -0.347 7.545 -8.190
102 H SER 14 H SER 14 4.141 9.158 -0.815
103 HA SER 14 HA SER 14 2.470 6.878 -0.168
104 1HB SER 14 1HB SER 14 4.918 6.862 0.110
105 2HB SER 14 2HB SER 14 4.806 8.135 1.341
106 HG SER 14 HG SER 14 3.827 6.727 2.690
107 H HIS 15 H HIS 15 3.006 10.136 1.366
108 HA HIS 15 HA HIS 15 1.178 9.415 3.515
109 1HB HIS 15 1HB HIS 15 2.675 11.907 2.767
110 2HB HIS 15 2HB HIS 15 1.381 11.949 3.960
111 HD1 HIS 15 HD1 HIS 15 1.727 10.402 6.244
112 HD2 HIS 15 HD2 HIS 15 4.961 10.522 3.483
113 HE1 HIS 15 HE1 HIS 15 3.747 9.375 7.412
114 HE2 HIS 15 HE2 HIS 15 5.672 9.419 5.817
115 H ARG 16 H ARG 16 0.821 10.993 0.401
116 HA ARG 16 HA ARG 16 -1.889 11.821 0.665
117 1HB ARG 16 1HB ARG 16 -0.127 10.983 -1.679
118 2HB ARG 16 2HB ARG 16 -1.805 11.415 -1.901
119 1HG ARG 16 1HG ARG 16 -1.318 13.557 -0.607
120 2HG ARG 16 2HG ARG 16 0.391 13.215 -0.788
121 1HD ARG 16 1HD ARG 16 -1.186 13.025 -3.311
122 2HD ARG 16 2HD ARG 16 -1.242 14.603 -2.549
123 HE ARG 16 HE ARG 16 0.965 13.415 -3.970
124 1HH1 ARG 16 2HH2 ARG 16 0.155 15.958 -1.554
125 2HH1 ARG 16 1HH2 ARG 16 1.441 16.982 -2.161
126 1HH2 ARG 16 2HH1 ARG 16 2.570 14.760 -4.580
127 2HH2 ARG 16 1HH1 ARG 16 2.835 16.311 -3.791
128 H ALA 17 H ALA 17 -0.524 8.622 -0.410
129 HA ALA 17 HA ALA 17 -3.069 7.398 -0.580
130 1HB ALA 17 2HB ALA 17 -0.975 6.424 -1.493
131 2HB ALA 17 3HB ALA 17 -0.433 6.072 0.164
132 3HB ALA 17 1HB ALA 17 -1.878 5.276 -0.489
133 H LYS 18 H LYS 18 -1.280 8.292 2.257
134 HA LYS 18 HA LYS 18 -2.848 6.505 4.007
135 1HB LYS 18 1HB LYS 18 -1.245 8.950 4.879
136 2HB LYS 18 2HB LYS 18 -1.854 7.657 5.885
137 1HG LYS 18 1HG LYS 18 0.410 7.604 3.900
138 2HG LYS 18 2HG LYS 18 0.466 7.256 5.605
139 1HD LYS 18 1HD LYS 18 -0.582 5.563 3.309
140 2HD LYS 18 2HD LYS 18 0.784 5.234 4.343
141 1HE LYS 18 1HE LYS 18 -2.170 4.937 4.975
142 2HE LYS 18 2HE LYS 18 -0.861 3.762 5.142
143 1HZ LYS 18 1HZ LYS 18 0.020 5.262 6.920
144 2HZ LYS 18 2HZ LYS 18 -1.336 6.108 6.887
145 3HZ LYS 18 3HZ LYS 18 -1.406 4.526 7.298
146 H ALA 19 H ALA 19 -2.896 10.011 3.182
147 HA ALA 19 HA ALA 19 -5.267 10.590 4.631
148 1HB ALA 19 3HB ALA 19 -3.790 12.278 3.433
149 2HB ALA 19 1HB ALA 19 -4.481 11.711 1.903
150 3HB ALA 19 2HB ALA 19 -5.529 12.471 3.111
151 H LEU 20 H LEU 20 -4.846 9.068 1.444
152 HA LEU 20 HA LEU 20 -7.644 8.782 0.923
153 1HB LEU 20 1HB LEU 20 -5.840 8.477 -0.740
154 2HB LEU 20 2HB LEU 20 -5.279 7.045 0.062
155 HG LEU 20 HG LEU 20 -6.994 7.217 -2.124
156 1HD1 LEU 20 2HD1 LEU 20 -5.497 5.307 -1.626
157 2HD1 LEU 20 3HD1 LEU 20 -6.592 4.795 -0.319
158 3HD1 LEU 20 1HD1 LEU 20 -7.136 4.772 -2.005
159 1HD2 LEU 20 2HD2 LEU 20 -8.936 7.624 -0.602
160 2HD2 LEU 20 3HD2 LEU 20 -9.024 6.161 -1.615
161 3HD2 LEU 20 1HD2 LEU 20 -8.601 6.012 0.096
162 H LEU 21 H LEU 21 -5.404 6.289 2.290
163 HA LEU 21 HA LEU 21 -7.477 4.457 2.873
164 1HB LEU 21 1HB LEU 21 -4.777 4.870 4.180
165 2HB LEU 21 2HB LEU 21 -5.855 3.545 4.630
166 HG LEU 21 HG LEU 21 -5.171 3.878 1.701
167 1HD1 LEU 21 1HD1 LEU 21 -3.388 2.553 3.765
168 2HD1 LEU 21 2HD1 LEU 21 -3.215 2.458 1.991
169 3HD1 LEU 21 3HD1 LEU 21 -3.021 4.016 2.807
170 1HD2 LEU 21 1HD2 LEU 21 -5.840 1.527 3.538
171 2HD2 LEU 21 2HD2 LEU 21 -6.793 2.179 2.179
172 3HD2 LEU 21 3HD2 LEU 21 -5.275 1.328 1.880
173 H SER 22 H SER 22 -6.318 7.172 4.965
174 HA SER 22 HA SER 22 -8.084 6.356 7.118
175 1HB SER 22 1HB SER 22 -6.432 8.872 6.606
176 2HB SER 22 2HB SER 22 -7.349 8.555 8.092
177 HG SER 22 HG SER 22 -6.168 6.624 8.346
178 H SER 23 H SER 23 -8.388 8.677 4.322
179 HA SER 23 HA SER 23 -10.851 9.802 5.251
180 1HB SER 23 1HB SER 23 -9.457 10.787 3.539
181 2HB SER 23 2HB SER 23 -9.637 9.371 2.493
182 HG SER 23 HG SER 23 -11.933 10.820 3.305
183 H LYS 24 H LYS 24 -10.052 6.832 3.419
184 HA LYS 24 HA LYS 24 -12.834 5.948 3.168
185 1HB LYS 24 1HB LYS 24 -10.186 4.467 2.998
186 2HB LYS 24 2HB LYS 24 -11.747 3.786 2.508
187 1HG LYS 24 1HG LYS 24 -10.457 6.260 1.284
188 2HG LYS 24 2HG LYS 24 -10.258 4.618 0.658
189 1HD LYS 24 1HD LYS 24 -12.506 4.477 0.012
190 2HD LYS 24 2HD LYS 24 -12.974 5.934 0.921
191 1HE LYS 24 1HE LYS 24 -11.750 7.385 -0.531
192 2HE LYS 24 2HE LYS 24 -10.936 5.996 -1.292
193 1HZ LYS 24 3HZ LYS 24 -13.835 6.370 -1.469
194 2HZ LYS 24 1HZ LYS 24 -12.796 6.920 -2.597
195 3HZ LYS 24 2HZ LYS 24 -12.851 5.280 -2.250
196 H GLY 25 H GLY 25 -10.238 5.572 5.531
197 1HA GLY 25 1HA GLY 25 -10.278 4.986 7.733
198 2HA GLY 25 2HA GLY 25 -12.036 4.802 7.652
199 H VAL 26 H VAL 26 -9.027 3.213 6.348
200 HA VAL 26 HA VAL 26 -10.290 0.579 6.894
201 HB VAL 26 HB VAL 26 -8.529 0.088 4.897
202 1HG1 VAL 26 3HG1 VAL 26 -10.972 -0.576 5.051
203 2HG1 VAL 26 1HG1 VAL 26 -11.411 1.029 4.455
204 3HG1 VAL 26 2HG1 VAL 26 -10.501 -0.087 3.415
205 1HG2 VAL 26 3HG2 VAL 26 -7.965 2.391 4.428
206 2HG2 VAL 26 1HG2 VAL 26 -8.794 1.616 3.056
207 3HG2 VAL 26 2HG2 VAL 26 -9.676 2.740 4.088
208 H SER 27 H SER 27 -9.068 -1.017 7.744
209 HA SER 27 HA SER 27 -7.027 -0.248 9.509
210 1HB SER 27 1HB SER 27 -7.922 -3.054 8.736
211 2HB SER 27 2HB SER 27 -7.255 -2.513 10.287
212 HG SER 27 HG SER 27 -9.186 -1.026 10.265
213 H PHE 28 H PHE 28 -5.461 0.590 7.841
214 HA PHE 28 HA PHE 28 -4.004 -1.355 6.266
215 1HB PHE 28 1HB PHE 28 -2.555 0.492 5.671
216 2HB PHE 28 2HB PHE 28 -4.240 0.935 5.496
217 HD1 PHE 28 HD2 PHE 28 -1.237 1.333 7.714
218 HD2 PHE 28 HD1 PHE 28 -5.167 2.816 6.708
219 HE1 PHE 28 HE2 PHE 28 -0.926 3.228 9.261
220 HE2 PHE 28 HE1 PHE 28 -4.807 4.754 8.186
221 HZ PHE 28 HZ PHE 28 -2.708 4.961 9.503
222 H GLN 29 H GLN 29 -1.712 -1.757 6.500
223 HA GLN 29 HA GLN 29 -0.589 -1.739 9.223
224 1HB GLN 29 1HB GLN 29 -0.995 -3.932 7.245
225 2HB GLN 29 2HB GLN 29 0.683 -3.757 7.750
226 1HG GLN 29 1HG GLN 29 0.021 -3.872 10.110
227 2HG GLN 29 2HG GLN 29 -1.671 -4.078 9.625
228 1HE2 GLN 29 2HE2 GLN 29 0.917 -7.251 9.559
229 2HE2 GLN 29 1HE2 GLN 29 1.514 -5.636 9.864
230 H GLU 30 H GLU 30 0.620 0.108 8.971
231 HA GLU 30 HA GLU 30 1.869 0.796 6.436
232 1HB GLU 30 1HB GLU 30 1.288 2.147 8.838
233 2HB GLU 30 2HB GLU 30 3.076 2.059 8.791
234 1HG GLU 30 1HG GLU 30 3.274 3.242 6.825
235 2HG GLU 30 2HG GLU 30 1.608 2.932 6.331
236 H LEU 31 H LEU 31 3.850 0.379 5.727
237 HA LEU 31 HA LEU 31 5.738 -1.198 7.415
238 1HB LEU 31 1HB LEU 31 5.364 -1.672 4.485
239 2HB LEU 31 2HB LEU 31 6.318 -2.570 5.648
240 HG LEU 31 HG LEU 31 3.275 -2.461 5.395
241 1HD1 LEU 31 1HD1 LEU 31 5.458 -4.504 4.918
242 2HD1 LEU 31 2HD1 LEU 31 3.738 -4.900 4.918
243 3HD1 LEU 31 3HD1 LEU 31 4.354 -3.722 3.743
244 1HD2 LEU 31 2HD2 LEU 31 4.864 -4.162 7.363
245 2HD2 LEU 31 3HD2 LEU 31 3.749 -2.832 7.796
246 3HD2 LEU 31 1HD2 LEU 31 3.119 -4.274 7.007
247 HA PRO 32 HA PRO 32 8.035 2.430 5.776
248 1HB PRO 32 1HB PRO 32 9.862 2.579 7.830
249 2HB PRO 32 2HB PRO 32 8.227 3.269 7.852
250 1HG PRO 32 1HG PRO 32 9.243 0.829 9.240
251 2HG PRO 32 2HG PRO 32 7.893 1.913 9.686
252 1HD PRO 32 1HD PRO 32 7.764 -0.623 8.365
253 2HD PRO 32 2HD PRO 32 6.382 0.475 8.583
254 H ILE 33 H ILE 33 9.385 2.168 4.173
255 HA ILE 33 HA ILE 33 11.778 0.382 4.363
256 HB ILE 33 HB ILE 33 11.808 0.633 1.873
257 1HG1 ILE 33 1HG1 ILE 33 8.840 1.099 1.902
258 2HG1 ILE 33 2HG1 ILE 33 9.964 2.461 1.919
259 1HG2 ILE 33 3HG2 ILE 33 9.722 -0.992 3.315
260 2HG2 ILE 33 1HG2 ILE 33 10.110 -1.225 1.581
261 3HG2 ILE 33 2HG2 ILE 33 11.363 -1.450 2.806
262 1HD1 ILE 33 3HD1 ILE 33 11.119 1.466 -0.092
263 2HD1 ILE 33 1HD1 ILE 33 9.726 0.349 -0.222
264 3HD1 ILE 33 2HD1 ILE 33 9.522 2.108 -0.351
265 H ASP 34 H ASP 34 11.433 3.192 5.528
266 HA ASP 34 HA ASP 34 12.610 4.900 3.522
267 1HB ASP 34 1HB ASP 34 11.099 5.740 5.363
268 2HB ASP 34 2HB ASP 34 12.428 5.491 6.506
269 H GLY 35 H GLY 35 13.828 3.516 6.572
270 1HA GLY 35 1HA GLY 35 16.652 3.832 5.642
271 2HA GLY 35 2HA GLY 35 16.119 3.618 7.312
272 H ASN 36 H ASN 36 14.480 1.712 4.956
273 HA ASN 36 HA ASN 36 15.939 -0.768 5.750
274 1HB ASN 36 1HB ASN 36 14.127 -0.988 7.123
275 2HB ASN 36 2HB ASN 36 13.073 -0.011 6.111
276 1HD2 ASN 36 2HD2 ASN 36 11.548 -2.803 4.689
277 2HD2 ASN 36 1HD2 ASN 36 11.341 -1.350 5.646
278 H ALA 37 H ALA 37 16.996 -1.117 3.870
279 HA ALA 37 HA ALA 37 15.456 -1.089 1.357
280 1HB ALA 37 2HB ALA 37 17.688 -0.018 1.386
281 2HB ALA 37 3HB ALA 37 18.416 -1.588 1.814
282 3HB ALA 37 1HB ALA 37 17.586 -1.379 0.256
283 H ALA 38 H ALA 38 16.644 -3.344 3.727
284 HA ALA 38 HA ALA 38 16.869 -5.603 1.975
285 1HB ALA 38 3HB ALA 38 17.894 -5.624 4.207
286 2HB ALA 38 1HB ALA 38 16.282 -5.661 4.958
287 3HB ALA 38 2HB ALA 38 16.833 -7.018 3.967
288 H LYS 39 H LYS 39 14.093 -4.656 4.142
289 HA LYS 39 HA LYS 39 12.466 -6.701 2.870
290 1HB LYS 39 1HB LYS 39 12.166 -5.585 5.252
291 2HB LYS 39 2HB LYS 39 11.127 -4.471 4.347
292 1HG LYS 39 1HG LYS 39 9.780 -6.344 3.520
293 2HG LYS 39 2HG LYS 39 10.893 -7.510 4.229
294 1HD LYS 39 1HD LYS 39 8.883 -7.356 5.571
295 2HD LYS 39 2HD LYS 39 10.295 -6.815 6.489
296 1HE LYS 39 1HE LYS 39 9.674 -4.456 6.053
297 2HE LYS 39 2HE LYS 39 8.250 -4.990 5.135
298 1HZ LYS 39 3HZ LYS 39 8.703 -5.720 7.957
299 2HZ LYS 39 1HZ LYS 39 7.913 -4.355 7.536
300 3HZ LYS 39 2HZ LYS 39 7.302 -5.843 7.117
301 H ARG 40 H ARG 40 13.312 -3.370 2.048
302 HA ARG 40 HA ARG 40 11.172 -3.006 0.168
303 1HB ARG 40 1HB ARG 40 12.846 -1.178 0.799
304 2HB ARG 40 2HB ARG 40 14.030 -2.012 -0.222
305 1HG ARG 40 1HG ARG 40 12.412 -1.875 -2.132
306 2HG ARG 40 2HG ARG 40 11.332 -0.958 -1.096
307 1HD ARG 40 1HD ARG 40 12.572 0.459 -2.668
308 2HD ARG 40 2HD ARG 40 12.937 0.887 -0.994
309 HE ARG 40 HE ARG 40 14.890 -0.978 -1.964
310 1HH1 ARG 40 2HH2 ARG 40 13.880 2.357 -2.468
311 2HH1 ARG 40 1HH2 ARG 40 15.459 2.994 -2.739
312 1HH2 ARG 40 2HH1 ARG 40 17.034 -0.209 -2.396
313 2HH2 ARG 40 1HH1 ARG 40 17.303 1.490 -2.651
314 H GLU 41 H GLU 41 14.439 -4.571 -0.173
315 HA GLU 41 HA GLU 41 14.030 -5.398 -2.852
316 1HB GLU 41 1HB GLU 41 15.772 -6.444 -0.621
317 2HB GLU 41 2HB GLU 41 15.812 -7.141 -2.239
318 1HG GLU 41 1HG GLU 41 16.353 -4.210 -1.599
319 2HG GLU 41 2HG GLU 41 17.595 -5.449 -1.728
320 H GLU 42 H GLU 42 13.065 -6.888 0.214
321 HA GLU 42 HA GLU 42 12.289 -9.409 -0.844
322 1HB GLU 42 1HB GLU 42 12.663 -8.762 1.603
323 2HB GLU 42 2HB GLU 42 11.134 -7.892 1.535
324 1HG GLU 42 1HG GLU 42 10.559 -9.895 2.555
325 2HG GLU 42 2HG GLU 42 10.037 -10.138 0.880
326 H MET 43 H MET 43 10.459 -6.382 -0.303
327 HA MET 43 HA MET 43 8.010 -7.226 -1.554
328 1HB MET 43 1HB MET 43 8.148 -5.237 -0.060
329 2HB MET 43 2HB MET 43 9.309 -4.482 -1.138
330 1HG MET 43 1HG MET 43 7.383 -4.665 -2.939
331 2HG MET 43 2HG MET 43 6.359 -4.896 -1.534
332 1HE MET 43 2HE MET 43 8.770 -2.577 -3.535
333 2HE MET 43 3HE MET 43 8.708 -1.037 -2.651
334 3HE MET 43 1HE MET 43 9.571 -2.427 -1.959
335 H ILE 44 H ILE 44 10.932 -5.551 -2.923
336 HA ILE 44 HA ILE 44 9.964 -5.008 -5.469
337 HB ILE 44 HB ILE 44 12.706 -5.714 -4.465
338 1HG1 ILE 44 1HG1 ILE 44 11.637 -3.255 -5.808
339 2HG1 ILE 44 2HG1 ILE 44 11.341 -3.485 -4.096
340 1HG2 ILE 44 2HG2 ILE 44 12.020 -4.992 -7.353
341 2HG2 ILE 44 3HG2 ILE 44 13.656 -5.033 -6.665
342 3HG2 ILE 44 1HG2 ILE 44 12.734 -6.520 -6.807
343 1HD1 ILE 44 2HD1 ILE 44 14.091 -3.258 -5.370
344 2HD1 ILE 44 3HD1 ILE 44 13.246 -1.988 -4.476
345 3HD1 ILE 44 1HD1 ILE 44 13.767 -3.450 -3.635
346 H LYS 45 H LYS 45 11.226 -8.141 -4.225
347 HA LYS 45 HA LYS 45 10.798 -9.707 -6.611
348 1HB LYS 45 1HB LYS 45 11.255 -10.215 -3.712
349 2HB LYS 45 2HB LYS 45 10.171 -11.381 -4.459
350 1HG LYS 45 1HG LYS 45 12.337 -12.286 -4.526
351 2HG LYS 45 2HG LYS 45 11.870 -11.877 -6.182
352 1HD LYS 45 1HD LYS 45 13.233 -9.816 -6.036
353 2HD LYS 45 2HD LYS 45 13.704 -10.232 -4.370
354 1HE LYS 45 1HE LYS 45 14.806 -12.264 -5.101
355 2HE LYS 45 2HE LYS 45 14.149 -12.098 -6.732
356 1HZ LYS 45 3HZ LYS 45 15.491 -10.092 -6.993
357 2HZ LYS 45 1HZ LYS 45 16.178 -10.354 -5.503
358 3HZ LYS 45 2HZ LYS 45 16.386 -11.446 -6.720
359 H ARG 46 H ARG 46 8.681 -9.342 -3.717
360 HA ARG 46 HA ARG 46 6.664 -10.829 -5.033
361 1HB ARG 46 1HB ARG 46 5.743 -11.158 -3.100
362 2HB ARG 46 2HB ARG 46 7.270 -10.546 -2.479
363 1HG ARG 46 1HG ARG 46 6.088 -8.283 -2.229
364 2HG ARG 46 2HG ARG 46 4.613 -9.156 -2.704
365 1HD ARG 46 1HD ARG 46 5.461 -10.824 -0.756
366 2HD ARG 46 2HD ARG 46 6.176 -9.327 -0.168
367 HE ARG 46 HE ARG 46 3.278 -9.750 -0.806
368 1HH1 ARG 46 2HH2 ARG 46 5.700 -8.576 1.529
369 2HH1 ARG 46 1HH2 ARG 46 4.546 -7.960 2.629
370 1HH2 ARG 46 2HH1 ARG 46 1.763 -9.067 0.668
371 2HH2 ARG 46 1HH1 ARG 46 2.173 -8.316 2.172
372 H SER 47 H SER 47 7.247 -7.474 -5.341
373 HA SER 47 HA SER 47 4.502 -7.040 -6.416
374 1HB SER 47 1HB SER 47 5.121 -4.688 -6.251
375 2HB SER 47 2HB SER 47 5.245 -5.481 -4.668
376 HG SER 47 HG SER 47 7.055 -4.236 -4.984
377 H GLY 48 H GLY 48 7.925 -7.180 -7.369
378 1HA GLY 48 1HA GLY 48 8.907 -6.986 -9.395
379 2HA GLY 48 2HA GLY 48 7.337 -6.747 -10.173
380 H ARG 49 H ARG 49 7.889 -4.584 -7.447
381 HA ARG 49 HA ARG 49 8.794 -2.428 -9.295
382 1HB ARG 49 1HB ARG 49 6.266 -2.419 -7.627
383 2HB ARG 49 2HB ARG 49 7.094 -0.936 -8.125
384 1HG ARG 49 1HG ARG 49 6.938 -1.760 -10.531
385 2HG ARG 49 2HG ARG 49 5.847 -3.035 -9.933
386 1HD ARG 49 1HD ARG 49 4.380 -1.312 -8.956
387 2HD ARG 49 2HD ARG 49 5.468 -0.036 -9.492
388 HE ARG 49 HE ARG 49 3.970 -1.883 -11.316
389 1HH1 ARG 49 2HH2 ARG 49 5.658 1.212 -11.047
390 2HH1 ARG 49 1HH2 ARG 49 4.723 1.999 -12.258
391 1HH2 ARG 49 2HH1 ARG 49 2.654 -0.802 -12.890
392 2HH2 ARG 49 1HH1 ARG 49 2.921 0.856 -13.271
393 H THR 50 H THR 50 10.026 -0.866 -8.389
394 HA THR 50 HA THR 50 11.009 -1.373 -5.680
395 HB THR 50 HB THR 50 11.890 0.003 -8.179
396 HG1 THR 50 HG1 THR 50 13.633 -1.339 -7.912
397 1HG2 THR 50 1HG2 THR 50 13.260 0.456 -5.497
398 2HG2 THR 50 2HG2 THR 50 13.991 0.804 -7.073
399 3HG2 THR 50 3HG2 THR 50 12.566 1.705 -6.563
400 H THR 51 H THR 51 8.785 0.855 -7.228
401 HA THR 51 HA THR 51 9.388 3.206 -5.733
402 HB THR 51 HB THR 51 7.069 3.780 -6.835
403 HG1 THR 51 HG1 THR 51 6.121 2.233 -7.771
404 1HG2 THR 51 3HG2 THR 51 9.414 2.927 -8.592
405 2HG2 THR 51 1HG2 THR 51 8.020 3.882 -9.139
406 3HG2 THR 51 2HG2 THR 51 9.104 4.545 -7.921
407 H VAL 52 H VAL 52 7.832 4.250 -4.326
408 HA VAL 52 HA VAL 52 5.689 2.516 -3.196
409 HB VAL 52 HB VAL 52 6.168 4.015 -1.004
410 1HG1 VAL 52 1HG1 VAL 52 6.003 1.553 -1.185
411 2HG1 VAL 52 2HG1 VAL 52 7.697 1.493 -1.700
412 3HG1 VAL 52 3HG1 VAL 52 7.261 2.092 -0.070
413 1HG2 VAL 52 3HG2 VAL 52 8.081 5.233 -1.899
414 2HG2 VAL 52 1HG2 VAL 52 8.466 4.257 -0.476
415 3HG2 VAL 52 2HG2 VAL 52 8.968 3.702 -2.092
416 HA PRO 53 HA PRO 53 4.312 3.104 -1.158
417 1HB PRO 53 1HB PRO 53 1.676 3.244 -0.773
418 2HB PRO 53 2HB PRO 53 2.753 4.567 -0.215
419 1HG PRO 53 1HG PRO 53 1.153 4.385 -2.774
420 2HG PRO 53 2HG PRO 53 1.214 5.765 -1.632
421 1HD PRO 53 1HD PRO 53 2.738 5.602 -3.914
422 2HD PRO 53 2HD PRO 53 3.302 6.468 -2.450
423 H GLN 54 H GLN 54 3.183 1.033 -1.117
424 HA GLN 54 HA GLN 54 1.880 0.150 -3.606
425 1HB GLN 54 1HB GLN 54 4.078 -1.467 -2.216
426 2HB GLN 54 2HB GLN 54 3.065 -1.961 -3.572
427 1HG GLN 54 1HG GLN 54 4.094 0.108 -4.804
428 2HG GLN 54 2HG GLN 54 5.274 0.112 -3.492
429 1HE2 GLN 54 2HE2 GLN 54 7.254 -2.058 -5.513
430 2HE2 GLN 54 1HE2 GLN 54 7.013 -0.455 -4.838
431 H ILE 55 H ILE 55 0.236 -1.593 -3.045
432 HA ILE 55 HA ILE 55 -0.016 -1.908 -0.150
433 HB ILE 55 HB ILE 55 -2.179 -1.115 -2.144
434 1HG1 ILE 55 1HG1 ILE 55 -2.281 0.686 -0.055
435 2HG1 ILE 55 2HG1 ILE 55 -0.592 0.302 -0.020
436 1HG2 ILE 55 3HG2 ILE 55 -2.442 -1.775 0.827
437 2HG2 ILE 55 1HG2 ILE 55 -3.725 -1.142 -0.213
438 3HG2 ILE 55 2HG2 ILE 55 -3.080 -2.749 -0.510
439 1HD1 ILE 55 1HD1 ILE 55 -0.421 1.029 -2.449
440 2HD1 ILE 55 2HD1 ILE 55 -2.131 1.468 -2.369
441 3HD1 ILE 55 3HD1 ILE 55 -0.961 2.301 -1.347
442 H PHE 56 H PHE 56 -0.941 -3.860 0.455
443 HA PHE 56 HA PHE 56 -1.411 -5.893 -1.604
444 1HB PHE 56 1HB PHE 56 0.227 -6.260 0.949
445 2HB PHE 56 2HB PHE 56 -0.287 -7.540 -0.122
446 HD1 PHE 56 HD1 PHE 56 2.054 -4.675 0.251
447 HD2 PHE 56 HD2 PHE 56 0.895 -8.030 -2.189
448 HE1 PHE 56 HE1 PHE 56 4.224 -4.569 -0.979
449 HE2 PHE 56 HE2 PHE 56 3.036 -7.907 -3.396
450 HZ PHE 56 HZ PHE 56 4.749 -6.247 -2.732
451 H ILE 57 H ILE 57 -3.240 -7.193 -0.912
452 HA ILE 57 HA ILE 57 -4.269 -6.651 1.821
453 HB ILE 57 HB ILE 57 -6.100 -6.668 -0.590
454 1HG1 ILE 57 1HG1 ILE 57 -5.417 -4.318 1.234
455 2HG1 ILE 57 2HG1 ILE 57 -4.655 -4.537 -0.319
456 1HG2 ILE 57 1HG2 ILE 57 -6.444 -6.409 2.442
457 2HG2 ILE 57 2HG2 ILE 57 -7.704 -5.887 1.335
458 3HG2 ILE 57 3HG2 ILE 57 -7.205 -7.582 1.364
459 1HD1 ILE 57 2HD1 ILE 57 -6.877 -4.466 -1.447
460 2HD1 ILE 57 3HD1 ILE 57 -7.603 -4.046 0.117
461 3HD1 ILE 57 1HD1 ILE 57 -6.394 -2.977 -0.622
462 H ASP 58 H ASP 58 -4.725 -8.485 2.876
463 HA ASP 58 HA ASP 58 -4.353 -10.671 3.346
464 1HB ASP 58 1HB ASP 58 -6.411 -10.635 1.320
465 2HB ASP 58 2HB ASP 58 -5.541 -12.168 1.284
466 H ALA 59 H ALA 59 -2.514 -9.257 1.934
467 HA ALA 59 HA ALA 59 -0.342 -9.362 1.365
468 1HB ALA 59 1HB ALA 59 -0.065 -11.415 2.631
469 2HB ALA 59 2HB ALA 59 -0.576 -12.384 1.230
470 3HB ALA 59 3HB ALA 59 0.898 -11.438 1.135
471 H GLN 60 H GLN 60 -2.865 -10.184 -0.654
472 HA GLN 60 HA GLN 60 -1.433 -10.762 -3.117
473 1HB GLN 60 1HB GLN 60 -4.279 -9.799 -2.632
474 2HB GLN 60 2HB GLN 60 -3.679 -10.514 -4.122
475 1HG GLN 60 1HG GLN 60 -3.473 -12.673 -3.129
476 2HG GLN 60 2HG GLN 60 -3.653 -12.060 -1.487
477 1HE2 GLN 60 2HE2 GLN 60 -7.232 -11.616 -1.683
478 2HE2 GLN 60 1HE2 GLN 60 -5.800 -10.797 -1.059
479 H HIS 61 H HIS 61 -0.629 -9.224 -4.538
480 HA HIS 61 HA HIS 61 -0.357 -6.528 -3.554
481 1HB HIS 61 1HB HIS 61 1.353 -7.916 -4.855
482 2HB HIS 61 2HB HIS 61 0.349 -7.723 -6.271
483 HD1 HIS 61 HD1 HIS 61 1.824 -6.218 -7.780
484 HD2 HIS 61 HD2 HIS 61 1.616 -4.968 -3.724
485 HE1 HIS 61 HE1 HIS 61 3.221 -4.075 -7.574
486 HE2 HIS 61 HE2 HIS 61 3.106 -3.311 -5.175
487 H ILE 62 H ILE 62 -1.357 -4.628 -4.150
488 HA ILE 62 HA ILE 62 -3.544 -4.743 -6.119
489 HB ILE 62 HB ILE 62 -2.608 -2.309 -4.581
490 1HG1 ILE 62 1HG1 ILE 62 -2.822 -3.818 -2.812
491 2HG1 ILE 62 2HG1 ILE 62 -4.241 -2.810 -2.795
492 1HG2 ILE 62 3HG2 ILE 62 -5.282 -3.214 -5.730
493 2HG2 ILE 62 1HG2 ILE 62 -5.075 -1.769 -4.728
494 3HG2 ILE 62 2HG2 ILE 62 -4.274 -1.877 -6.303
495 1HD1 ILE 62 2HD1 ILE 62 -4.304 -5.597 -4.045
496 2HD1 ILE 62 3HD1 ILE 62 -4.712 -5.272 -2.376
497 3HD1 ILE 62 1HD1 ILE 62 -5.670 -4.530 -3.668
498 H GLY 63 H GLY 63 -0.404 -3.110 -5.565
499 1HA GLY 63 1HA GLY 63 0.867 -2.793 -7.809
500 2HA GLY 63 2HA GLY 63 -0.551 -1.824 -8.222
501 H GLY 64 H GLY 64 -0.745 0.206 -7.417
502 1HA GLY 64 1HA GLY 64 1.241 1.258 -5.475
503 2HA GLY 64 2HA GLY 64 0.884 2.037 -7.019
504 H TYR 65 H TYR 65 0.228 3.865 -5.886
505 HA TYR 65 HA TYR 65 -1.915 3.965 -3.900
506 1HB TYR 65 1HB TYR 65 -0.068 5.709 -3.949
507 2HB TYR 65 2HB TYR 65 -0.534 6.112 -5.578
508 HD1 TYR 65 HD2 TYR 65 -3.431 5.520 -3.355
509 HD2 TYR 65 HD1 TYR 65 -0.482 8.411 -4.612
510 HE1 TYR 65 HE2 TYR 65 -4.860 7.315 -2.608
511 HE2 TYR 65 HE1 TYR 65 -1.930 10.234 -3.844
512 HH TYR 65 HH TYR 65 -4.114 10.754 -2.966
513 H ASP 66 H ASP 66 -1.485 5.017 -7.329
514 HA ASP 66 HA ASP 66 -4.172 5.855 -7.666
515 1HB ASP 66 1HB ASP 66 -2.246 4.759 -9.755
516 2HB ASP 66 2HB ASP 66 -3.787 5.563 -10.078
517 H ASP 67 H ASP 67 -2.556 2.750 -8.266
518 HA ASP 67 HA ASP 67 -4.702 1.261 -9.336
519 1HB ASP 67 1HB ASP 67 -2.483 0.272 -7.505
520 2HB ASP 67 2HB ASP 67 -3.556 -0.741 -8.447
521 H LEU 68 H LEU 68 -3.660 1.639 -5.870
522 HA LEU 68 HA LEU 68 -5.867 0.214 -4.822
523 1HB LEU 68 1HB LEU 68 -3.928 0.721 -3.422
524 2HB LEU 68 2HB LEU 68 -4.328 2.444 -3.459
525 HG LEU 68 HG LEU 68 -6.601 1.852 -2.398
526 1HD1 LEU 68 2HD1 LEU 68 -5.244 -0.858 -2.094
527 2HD1 LEU 68 3HD1 LEU 68 -6.660 -0.335 -1.169
528 3HD1 LEU 68 1HD1 LEU 68 -6.783 -0.510 -2.919
529 1HD2 LEU 68 1HD2 LEU 68 -4.710 2.757 -1.096
530 2HD2 LEU 68 2HD2 LEU 68 -5.904 1.788 -0.229
531 3HD2 LEU 68 3HD2 LEU 68 -4.326 1.077 -0.629
532 H TYR 69 H TYR 69 -5.566 3.752 -5.176
533 HA TYR 69 HA TYR 69 -8.104 4.586 -4.179
534 1HB TYR 69 1HB TYR 69 -6.278 6.080 -4.906
535 2HB TYR 69 2HB TYR 69 -6.392 5.511 -6.543
536 HD1 TYR 69 HD2 TYR 69 -9.696 6.257 -4.996
537 HD2 TYR 69 HD1 TYR 69 -6.299 7.859 -7.130
538 HE1 TYR 69 HE2 TYR 69 -11.056 8.186 -5.736
539 HE2 TYR 69 HE1 TYR 69 -7.623 9.832 -7.781
540 HH TYR 69 HH TYR 69 -9.598 11.056 -7.001
541 H ALA 70 H ALA 70 -7.261 3.523 -7.511
542 HA ALA 70 HA ALA 70 -9.956 3.827 -8.493
543 1HB ALA 70 1HB ALA 70 -7.982 3.791 -9.977
544 2HB ALA 70 2HB ALA 70 -7.689 2.090 -9.534
545 3HB ALA 70 3HB ALA 70 -9.158 2.543 -10.427
546 H LEU 71 H LEU 71 -8.073 1.082 -7.327
547 HA LEU 71 HA LEU 71 -9.973 -0.988 -7.620
548 1HB LEU 71 1HB LEU 71 -7.496 -1.245 -7.214
549 2HB LEU 71 2HB LEU 71 -7.734 -0.733 -5.571
550 HG LEU 71 HG LEU 71 -7.522 -3.249 -6.100
551 1HD1 LEU 71 1HD1 LEU 71 -9.432 -2.141 -4.157
552 2HD1 LEU 71 2HD1 LEU 71 -8.980 -3.870 -4.226
553 3HD1 LEU 71 3HD1 LEU 71 -7.760 -2.626 -3.941
554 1HD2 LEU 71 3HD2 LEU 71 -9.082 -3.478 -7.881
555 2HD2 LEU 71 1HD2 LEU 71 -9.525 -4.505 -6.511
556 3HD2 LEU 71 2HD2 LEU 71 -10.427 -3.007 -6.832
557 H ASP 72 H ASP 72 -9.420 1.300 -4.978
558 HA ASP 72 HA ASP 72 -11.220 0.221 -3.040
559 1HB ASP 72 1HB ASP 72 -9.454 1.715 -2.350
560 2HB ASP 72 2HB ASP 72 -9.925 2.933 -3.514
561 H ALA 73 H ALA 73 -11.429 3.096 -5.126
562 HA ALA 73 HA ALA 73 -14.039 3.634 -4.363
563 1HB ALA 73 1HB ALA 73 -12.553 4.551 -6.844
564 2HB ALA 73 2HB ALA 73 -14.050 5.285 -6.232
565 3HB ALA 73 3HB ALA 73 -12.567 5.340 -5.259
566 H ARG 74 H ARG 74 -13.006 1.512 -6.918
567 HA ARG 74 HA ARG 74 -15.659 1.171 -8.100
568 1HB ARG 74 1HB ARG 74 -14.613 -0.376 -9.500
569 2HB ARG 74 2HB ARG 74 -13.435 0.898 -9.240
570 1HG ARG 74 1HG ARG 74 -11.906 -0.564 -8.561
571 2HG ARG 74 2HG ARG 74 -12.923 -1.138 -7.265
572 1HD ARG 74 1HD ARG 74 -13.356 -2.179 -10.069
573 2HD ARG 74 2HD ARG 74 -11.987 -2.740 -9.106
574 HE ARG 74 HE ARG 74 -14.608 -2.845 -7.784
575 1HH1 ARG 74 2HH2 ARG 74 -12.533 -4.630 -10.023
576 2HH1 ARG 74 1HH2 ARG 74 -12.831 -6.183 -9.346
577 1HH2 ARG 74 2HH1 ARG 74 -14.711 -4.911 -6.583
578 2HH2 ARG 74 1HH1 ARG 74 -14.068 -6.335 -7.344
579 H GLY 75 H GLY 75 -14.343 0.136 -5.231
580 1HA GLY 75 1HA GLY 75 -15.243 -1.271 -3.613
581 2HA GLY 75 2HA GLY 75 -16.507 -1.766 -4.743
582 H GLY 76 H GLY 76 -12.824 -2.010 -4.847
583 1HA GLY 76 1HA GLY 76 -13.101 -4.967 -4.923
584 2HA GLY 76 2HA GLY 76 -11.780 -4.023 -5.616
585 H LEU 77 H LEU 77 -11.467 -2.089 -3.449
586 HA LEU 77 HA LEU 77 -9.981 -3.653 -1.560
587 1HB LEU 77 1HB LEU 77 -9.590 -1.171 -2.116
588 2HB LEU 77 2HB LEU 77 -10.973 -0.790 -1.118
589 HG LEU 77 HG LEU 77 -8.252 -1.749 -0.329
590 1HD1 LEU 77 3HD1 LEU 77 -8.784 0.668 -0.501
591 2HD1 LEU 77 1HD1 LEU 77 -10.050 0.469 0.715
592 3HD1 LEU 77 2HD1 LEU 77 -8.346 0.197 1.149
593 1HD2 LEU 77 3HD2 LEU 77 -10.609 -1.867 1.582
594 2HD2 LEU 77 1HD2 LEU 77 -9.535 -3.210 1.111
595 3HD2 LEU 77 2HD2 LEU 77 -8.901 -1.882 2.061
596 H ASP 78 H ASP 78 -13.106 -1.966 -1.587
597 HA ASP 78 HA ASP 78 -13.925 -2.210 1.033
598 1HB ASP 78 1HB ASP 78 -15.196 -0.862 -0.394
599 2HB ASP 78 2HB ASP 78 -15.455 -2.149 -1.563
600 HA PRO 79 HA PRO 79 -15.744 -6.575 0.647
601 1HB PRO 79 1HB PRO 79 -15.414 -8.152 -1.568
602 2HB PRO 79 2HB PRO 79 -16.758 -6.985 -1.375
603 1HG PRO 79 1HG PRO 79 -14.128 -6.566 -2.835
604 2HG PRO 79 2HG PRO 79 -15.787 -6.244 -3.437
605 1HD PRO 79 1HD PRO 79 -14.275 -4.261 -2.373
606 2HD PRO 79 2HD PRO 79 -16.030 -4.353 -2.041
607 H LEU 80 H LEU 80 -12.518 -5.860 -0.630
608 HA LEU 80 HA LEU 80 -11.365 -8.439 0.103
609 1HB LEU 80 1HB LEU 80 -10.389 -5.799 -0.906
610 2HB LEU 80 2HB LEU 80 -9.272 -6.657 0.100
611 HG LEU 80 HG LEU 80 -10.567 -8.022 -2.267
612 1HD1 LEU 80 2HD1 LEU 80 -7.923 -6.495 -2.134
613 2HD1 LEU 80 3HD1 LEU 80 -8.501 -7.490 -3.486
614 3HD1 LEU 80 1HD1 LEU 80 -9.359 -6.016 -3.061
615 1HD2 LEU 80 1HD2 LEU 80 -7.991 -8.544 -0.682
616 2HD2 LEU 80 2HD2 LEU 80 -9.482 -9.491 -0.554
617 3HD2 LEU 80 3HD2 LEU 80 -8.567 -9.483 -2.068
618 H LEU 81 H LEU 81 -12.137 -5.460 1.775
619 HA LEU 81 HA LEU 81 -10.154 -5.371 3.667
620 1HB LEU 81 1HB LEU 81 -11.882 -3.636 3.176
621 2HB LEU 81 2HB LEU 81 -13.071 -4.557 4.072
622 HG LEU 81 HG LEU 81 -12.111 -2.603 5.253
623 1HD1 LEU 81 2HD1 LEU 81 -13.080 -4.502 6.547
624 2HD1 LEU 81 3HD1 LEU 81 -11.436 -5.122 6.809
625 3HD1 LEU 81 1HD1 LEU 81 -11.893 -3.530 7.430
626 1HD2 LEU 81 3HD2 LEU 81 -9.816 -2.712 4.416
627 2HD2 LEU 81 1HD2 LEU 81 -9.874 -2.614 6.190
628 3HD2 LEU 81 2HD2 LEU 81 -9.523 -4.158 5.398
629 H LYS 82 H LYS 82 -13.345 -6.816 4.159
630 HA LYS 82 HA LYS 82 -14.208 -8.120 5.807
631 1HB LYS 82 1HB LYS 82 -13.472 -9.378 3.744
632 2HB LYS 82 2HB LYS 82 -12.106 -9.983 4.679
633 1HG LYS 82 1HG LYS 82 -14.646 -10.372 6.099
634 2HG LYS 82 2HG LYS 82 -14.748 -11.026 4.474
635 1HD LYS 82 1HD LYS 82 -12.568 -11.774 6.453
636 2HD LYS 82 2HD LYS 82 -14.078 -12.633 6.249
637 1HE LYS 82 1HE LYS 82 -12.791 -13.938 4.933
638 2HE LYS 82 2HE LYS 82 -13.402 -12.806 3.718
639 1HZ LYS 82 1HZ LYS 82 -10.719 -12.680 5.001
640 2HZ LYS 82 2HZ LYS 82 -11.035 -13.256 3.515
641 3HZ LYS 82 3HZ LYS 82 -11.253 -11.674 3.816
642 1HB2 GTT 83 1HB2 GTT 83 7.905 6.904 -3.281
643 2HB2 GTT 83 2HB2 GTT 83 9.164 8.116 -3.381
644 HA2 GTT 83 HA2 GTT 83 8.837 8.247 -5.826
645 HN2 GTT 83 HN2 GTT 83 6.437 6.726 -5.179
646 1HG1 GTT 83 1HG1 GTT 83 4.935 7.721 -7.302
647 2HG1 GTT 83 2HG1 GTT 83 4.976 6.010 -6.866
648 1HB1 GTT 83 1HB1 GTT 83 5.269 5.302 -9.083
649 2HB1 GTT 83 2HB1 GTT 83 5.837 6.876 -9.655
650 HA1 GTT 83 HA1 GTT 83 3.047 6.623 -8.518
651 1HN1 GTT 83 1HN1 GTT 83 3.742 6.088 -11.295
652 2HN1 GTT 83 2HN1 GTT 83 3.092 4.989 -10.221
653 3HN1 GTT 83 3HN1 GTT 83 2.253 6.327 -10.719
654 HN3 GTT 83 HN3 GTT 83 10.508 7.022 -6.789
655 1HA3 GTT 83 1HA3 GTT 83 11.562 4.820 -5.203
656 2HA3 GTT 83 2HA3 GTT 83 11.017 4.368 -6.829
No H/Q in entry = 656
Start of MODEL 19
1 1H ALA 1 2H ALA 1 -8.237 -10.500 6.853
2 2H ALA 1 3H ALA 1 -9.433 -9.741 5.977
3 3H ALA 1 1H ALA 1 -7.962 -10.022 5.316
4 HA ALA 1 HA ALA 1 -8.102 -7.774 5.804
5 1HB ALA 1 1HB ALA 1 -9.827 -7.883 7.544
6 2HB ALA 1 2HB ALA 1 -8.661 -8.606 8.668
7 3HB ALA 1 3HB ALA 1 -8.416 -6.944 8.069
8 H ASN 2 H ASN 2 -5.998 -8.196 5.082
9 HA ASN 2 HA ASN 2 -4.001 -7.697 7.237
10 1HB ASN 2 1HB ASN 2 -4.036 -10.143 6.676
11 2HB ASN 2 2HB ASN 2 -3.693 -9.754 5.001
12 1HD2 ASN 2 2HD2 ASN 2 -0.216 -8.882 5.613
13 2HD2 ASN 2 1HD2 ASN 2 -1.627 -8.314 4.755
14 H VAL 3 H VAL 3 -4.849 -5.506 6.199
15 HA VAL 3 HA VAL 3 -3.788 -4.959 3.512
16 HB VAL 3 HB VAL 3 -5.139 -3.096 5.499
17 1HG1 VAL 3 1HG1 VAL 3 -4.488 -2.683 2.547
18 2HG1 VAL 3 2HG1 VAL 3 -5.413 -1.575 3.577
19 3HG1 VAL 3 3HG1 VAL 3 -3.701 -1.869 3.902
20 1HG2 VAL 3 1HG2 VAL 3 -6.718 -4.811 4.719
21 2HG2 VAL 3 2HG2 VAL 3 -7.092 -3.216 4.035
22 3HG2 VAL 3 3HG2 VAL 3 -6.302 -4.432 3.037
23 H GLU 4 H GLU 4 -1.600 -4.692 3.413
24 HA GLU 4 HA GLU 4 -0.357 -3.024 5.538
25 1HB GLU 4 1HB GLU 4 1.430 -4.869 3.998
26 2HB GLU 4 2HB GLU 4 1.556 -4.191 5.609
27 1HG GLU 4 1HG GLU 4 0.118 -5.838 6.565
28 2HG GLU 4 2HG GLU 4 -0.425 -6.389 4.975
29 H ILE 5 H ILE 5 0.691 -1.243 4.790
30 HA ILE 5 HA ILE 5 0.877 -0.785 1.858
31 HB ILE 5 HB ILE 5 -1.028 0.408 2.375
32 1HG1 ILE 5 1HG1 ILE 5 1.140 2.501 2.841
33 2HG1 ILE 5 2HG1 ILE 5 0.900 1.721 1.285
34 1HG2 ILE 5 1HG2 ILE 5 -1.010 0.236 4.864
35 2HG2 ILE 5 2HG2 ILE 5 0.173 1.560 4.917
36 3HG2 ILE 5 3HG2 ILE 5 -1.462 1.830 4.295
37 1HD1 ILE 5 3HD1 ILE 5 -1.218 3.369 2.736
38 2HD1 ILE 5 1HD1 ILE 5 -0.174 3.919 1.434
39 3HD1 ILE 5 2HD1 ILE 5 -1.366 2.639 1.119
40 H TYR 6 H TYR 6 2.898 -0.737 1.392
41 HA TYR 6 HA TYR 6 4.971 -0.188 3.371
42 1HB TYR 6 1HB TYR 6 4.892 -0.981 0.446
43 2HB TYR 6 2HB TYR 6 6.361 -0.364 1.171
44 HD1 TYR 6 HD1 TYR 6 7.558 -1.520 2.905
45 HD2 TYR 6 HD2 TYR 6 3.953 -3.183 1.270
46 HE1 TYR 6 HE1 TYR 6 8.175 -3.701 3.850
47 HE2 TYR 6 HE2 TYR 6 4.497 -5.378 2.298
48 HH TYR 6 HH TYR 6 5.886 -6.342 4.074
49 H THR 7 H THR 7 5.983 1.691 3.664
50 HA THR 7 HA THR 7 5.428 3.953 1.814
51 HB THR 7 HB THR 7 5.291 5.324 3.948
52 HG1 THR 7 HG1 THR 7 4.960 4.198 5.862
53 1HG2 THR 7 3HG2 THR 7 3.255 4.647 2.706
54 2HG2 THR 7 1HG2 THR 7 3.189 3.135 3.643
55 3HG2 THR 7 2HG2 THR 7 2.991 4.677 4.456
56 H LYS 8 H LYS 8 6.968 5.786 2.367
57 HA LYS 8 HA LYS 8 9.477 4.936 3.595
58 1HB LYS 8 1HB LYS 8 9.736 4.645 1.061
59 2HB LYS 8 2HB LYS 8 9.466 6.391 0.895
60 1HG LYS 8 1HG LYS 8 11.473 6.719 2.473
61 2HG LYS 8 2HG LYS 8 11.697 4.975 2.408
62 1HD LYS 8 1HD LYS 8 13.231 5.863 0.867
63 2HD LYS 8 2HD LYS 8 11.920 5.187 -0.102
64 1HE LYS 8 1HE LYS 8 12.706 7.272 -1.030
65 2HE LYS 8 2HE LYS 8 11.024 7.447 -0.508
66 1HZ LYS 8 3HZ LYS 8 13.172 8.259 1.317
67 2HZ LYS 8 1HZ LYS 8 12.805 9.257 0.091
68 3HZ LYS 8 2HZ LYS 8 11.668 8.849 1.211
69 H GLU 9 H GLU 9 10.536 7.020 4.346
70 HA GLU 9 HA GLU 9 8.746 9.214 4.919
71 1HB GLU 9 1HB GLU 9 10.789 8.309 6.261
72 2HB GLU 9 2HB GLU 9 11.789 9.207 5.112
73 1HG GLU 9 1HG GLU 9 10.606 11.311 5.779
74 2HG GLU 9 2HG GLU 9 9.558 10.382 6.832
75 H THR 10 H THR 10 9.696 11.462 4.324
76 HA THR 10 HA THR 10 9.992 13.117 2.889
77 HB THR 10 HB THR 10 12.165 12.996 1.644
78 HG1 THR 10 HG1 THR 10 13.163 11.188 1.451
79 1HG2 THR 10 1HG2 THR 10 11.921 13.718 4.051
80 2HG2 THR 10 2HG2 THR 10 12.342 12.056 4.533
81 3HG2 THR 10 3HG2 THR 10 13.498 13.046 3.632
82 H CYS 11 H CYS 11 8.348 10.720 1.602
83 HA CYS 11 HA CYS 11 8.217 12.141 -1.003
84 1HB CYS 11 1HB CYS 11 9.494 10.126 -1.322
85 2HB CYS 11 2HB CYS 11 8.129 9.161 -0.737
86 HA PRO 12 HA PRO 12 4.279 12.535 0.775
87 1HB PRO 12 1HB PRO 12 2.996 14.073 -1.063
88 2HB PRO 12 2HB PRO 12 4.243 14.733 0.054
89 1HG PRO 12 1HG PRO 12 4.594 13.813 -2.815
90 2HG PRO 12 2HG PRO 12 5.202 15.324 -2.070
91 1HD PRO 12 1HD PRO 12 6.793 13.147 -2.355
92 2HD PRO 12 2HD PRO 12 6.892 14.152 -0.875
93 H TYR 13 H TYR 13 4.522 11.434 -2.706
94 HA TYR 13 HA TYR 13 1.898 10.420 -2.934
95 1HB TYR 13 1HB TYR 13 3.614 10.756 -4.717
96 2HB TYR 13 2HB TYR 13 4.513 9.429 -4.116
97 HD1 TYR 13 HD2 TYR 13 1.576 10.461 -6.027
98 HD2 TYR 13 HD1 TYR 13 3.899 7.119 -4.581
99 HE1 TYR 13 HE2 TYR 13 0.461 8.985 -7.642
100 HE2 TYR 13 HE1 TYR 13 2.789 5.638 -6.198
101 HH TYR 13 HH TYR 13 -0.006 6.819 -8.142
102 H SER 14 H SER 14 4.670 9.078 -1.106
103 HA SER 14 HA SER 14 3.307 6.542 -0.432
104 1HB SER 14 1HB SER 14 5.505 6.215 -0.088
105 2HB SER 14 2HB SER 14 5.862 7.912 0.167
106 HG SER 14 HG SER 14 5.977 7.522 2.181
107 H HIS 15 H HIS 15 3.634 9.645 1.123
108 HA HIS 15 HA HIS 15 1.945 8.991 3.358
109 1HB HIS 15 1HB HIS 15 2.969 11.561 2.223
110 2HB HIS 15 2HB HIS 15 1.571 11.636 3.274
111 HD1 HIS 15 HD1 HIS 15 2.291 12.154 5.635
112 HD2 HIS 15 HD2 HIS 15 4.880 9.507 3.577
113 HE1 HIS 15 HE1 HIS 15 4.014 11.282 7.364
114 HE2 HIS 15 HE2 HIS 15 5.569 9.676 6.138
115 H ARG 16 H ARG 16 1.096 10.583 0.335
116 HA ARG 16 HA ARG 16 -1.599 11.135 0.709
117 1HB ARG 16 1HB ARG 16 0.057 10.394 -1.739
118 2HB ARG 16 2HB ARG 16 -1.585 10.942 -1.866
119 1HG ARG 16 1HG ARG 16 -0.173 12.843 -0.218
120 2HG ARG 16 2HG ARG 16 0.769 12.531 -1.680
121 1HD ARG 16 1HD ARG 16 -1.109 13.134 -3.113
122 2HD ARG 16 2HD ARG 16 -2.176 13.242 -1.719
123 HE ARG 16 HE ARG 16 -1.335 15.250 -1.114
124 1HH1 ARG 16 2HH2 ARG 16 0.845 14.038 -3.677
125 2HH1 ARG 16 1HH2 ARG 16 1.841 15.461 -3.656
126 1HH2 ARG 16 2HH1 ARG 16 -0.174 17.125 -1.248
127 2HH2 ARG 16 1HH1 ARG 16 1.407 17.120 -1.968
128 H ALA 17 H ALA 17 -0.099 7.984 -0.238
129 HA ALA 17 HA ALA 17 -2.615 6.805 -0.888
130 1HB ALA 17 1HB ALA 17 -0.453 5.946 -1.667
131 2HB ALA 17 2HB ALA 17 -0.002 5.537 -0.007
132 3HB ALA 17 3HB ALA 17 -1.354 4.683 -0.800
133 H LYS 18 H LYS 18 -1.115 7.327 2.208
134 HA LYS 18 HA LYS 18 -2.958 5.405 3.556
135 1HB LYS 18 1HB LYS 18 -1.543 7.678 4.948
136 2HB LYS 18 2HB LYS 18 -2.256 6.227 5.629
137 1HG LYS 18 1HG LYS 18 -0.197 5.386 5.720
138 2HG LYS 18 2HG LYS 18 -0.343 5.122 3.984
139 1HD LYS 18 1HD LYS 18 1.759 6.320 4.472
140 2HD LYS 18 2HD LYS 18 0.699 7.250 3.508
141 1HE LYS 18 1HE LYS 18 1.957 8.405 5.513
142 2HE LYS 18 2HE LYS 18 0.273 8.824 5.201
143 1HZ LYS 18 3HZ LYS 18 1.144 6.917 7.304
144 2HZ LYS 18 1HZ LYS 18 0.736 8.486 7.543
145 3HZ LYS 18 2HZ LYS 18 -0.397 7.437 7.040
146 H ALA 19 H ALA 19 -2.688 8.932 2.920
147 HA ALA 19 HA ALA 19 -5.025 9.678 4.330
148 1HB ALA 19 3HB ALA 19 -3.389 11.302 3.455
149 2HB ALA 19 1HB ALA 19 -3.911 10.925 1.791
150 3HB ALA 19 2HB ALA 19 -5.047 11.665 2.931
151 H LEU 20 H LEU 20 -4.676 8.174 1.152
152 HA LEU 20 HA LEU 20 -7.415 8.442 0.312
153 1HB LEU 20 1HB LEU 20 -5.790 7.826 -1.256
154 2HB LEU 20 2HB LEU 20 -5.138 6.526 -0.309
155 HG LEU 20 HG LEU 20 -6.382 5.973 -2.415
156 1HD1 LEU 20 2HD1 LEU 20 -5.800 4.294 -0.632
157 2HD1 LEU 20 3HD1 LEU 20 -7.495 4.402 -0.088
158 3HD1 LEU 20 1HD1 LEU 20 -7.133 3.867 -1.719
159 1HD2 LEU 20 1HD2 LEU 20 -8.368 7.444 -1.952
160 2HD2 LEU 20 2HD2 LEU 20 -8.743 5.769 -2.444
161 3HD2 LEU 20 3HD2 LEU 20 -8.882 6.247 -0.742
162 H LEU 21 H LEU 21 -5.812 5.658 1.827
163 HA LEU 21 HA LEU 21 -8.095 4.122 2.418
164 1HB LEU 21 1HB LEU 21 -5.394 4.440 3.791
165 2HB LEU 21 2HB LEU 21 -6.580 3.321 4.410
166 HG LEU 21 HG LEU 21 -5.980 3.089 1.477
167 1HD1 LEU 21 2HD1 LEU 21 -4.015 2.178 3.600
168 2HD1 LEU 21 3HD1 LEU 21 -3.963 1.773 1.859
169 3HD1 LEU 21 1HD1 LEU 21 -3.754 3.443 2.380
170 1HD2 LEU 21 2HD2 LEU 21 -6.404 1.102 3.757
171 2HD2 LEU 21 3HD2 LEU 21 -7.556 1.554 2.474
172 3HD2 LEU 21 1HD2 LEU 21 -6.089 0.647 2.079
173 H SER 22 H SER 22 -6.528 6.607 4.414
174 HA SER 22 HA SER 22 -8.245 6.494 6.643
175 1HB SER 22 1HB SER 22 -6.087 7.556 6.786
176 2HB SER 22 2HB SER 22 -6.424 8.584 5.393
177 HG SER 22 HG SER 22 -7.322 9.993 6.537
178 H SER 23 H SER 23 -8.456 8.581 3.619
179 HA SER 23 HA SER 23 -10.730 10.001 4.439
180 1HB SER 23 1HB SER 23 -9.091 10.150 2.324
181 2HB SER 23 2HB SER 23 -10.355 9.196 1.559
182 HG SER 23 HG SER 23 -10.397 11.720 2.837
183 H LYS 24 H LYS 24 -10.413 6.708 3.075
184 HA LYS 24 HA LYS 24 -13.345 6.428 2.901
185 1HB LYS 24 1HB LYS 24 -11.181 4.447 2.182
186 2HB LYS 24 2HB LYS 24 -12.897 4.363 1.783
187 1HG LYS 24 1HG LYS 24 -12.004 6.888 0.781
188 2HG LYS 24 2HG LYS 24 -10.693 5.772 0.481
189 1HD LYS 24 1HD LYS 24 -12.623 4.245 -0.496
190 2HD LYS 24 2HD LYS 24 -13.501 5.762 -0.649
191 1HE LYS 24 1HE LYS 24 -10.682 5.241 -1.684
192 2HE LYS 24 2HE LYS 24 -12.122 5.008 -2.685
193 1HZ LYS 24 3HZ LYS 24 -11.996 7.590 -1.445
194 2HZ LYS 24 1HZ LYS 24 -10.769 7.361 -2.471
195 3HZ LYS 24 2HZ LYS 24 -12.322 7.221 -2.993
196 H GLY 25 H GLY 25 -11.204 6.201 5.446
197 1HA GLY 25 1HA GLY 25 -11.552 5.421 7.579
198 2HA GLY 25 2HA GLY 25 -13.175 4.921 7.093
199 H VAL 26 H VAL 26 -10.047 3.802 5.689
200 HA VAL 26 HA VAL 26 -10.888 1.010 6.306
201 HB VAL 26 HB VAL 26 -8.701 1.980 4.447
202 1HG1 VAL 26 2HG1 VAL 26 -10.099 -0.725 4.709
203 2HG1 VAL 26 3HG1 VAL 26 -9.014 -0.282 3.381
204 3HG1 VAL 26 1HG1 VAL 26 -8.376 -0.377 5.014
205 1HG2 VAL 26 3HG2 VAL 26 -11.562 1.188 3.739
206 2HG2 VAL 26 1HG2 VAL 26 -10.866 2.817 3.619
207 3HG2 VAL 26 2HG2 VAL 26 -10.263 1.547 2.574
208 H SER 27 H SER 27 -9.265 -0.454 7.126
209 HA SER 27 HA SER 27 -7.408 0.834 9.050
210 1HB SER 27 1HB SER 27 -8.815 -1.843 9.306
211 2HB SER 27 2HB SER 27 -8.015 -0.899 10.575
212 HG SER 27 HG SER 27 -10.534 -0.782 9.699
213 H PHE 28 H PHE 28 -5.291 0.293 8.868
214 HA PHE 28 HA PHE 28 -4.372 -1.955 7.187
215 1HB PHE 28 1HB PHE 28 -3.155 -0.361 5.718
216 2HB PHE 28 2HB PHE 28 -4.889 -0.181 5.598
217 HD1 PHE 28 HD2 PHE 28 -1.796 1.420 7.003
218 HD2 PHE 28 HD1 PHE 28 -6.028 1.837 6.242
219 HE1 PHE 28 HE2 PHE 28 -1.658 3.838 7.511
220 HE2 PHE 28 HE1 PHE 28 -5.882 4.245 6.757
221 HZ PHE 28 HZ PHE 28 -3.699 5.260 7.360
222 H GLN 29 H GLN 29 -1.850 -1.585 6.961
223 HA GLN 29 HA GLN 29 -0.658 -0.905 9.572
224 1HB GLN 29 1HB GLN 29 -1.032 -3.367 9.291
225 2HB GLN 29 2HB GLN 29 -0.129 -3.337 7.790
226 1HG GLN 29 1HG GLN 29 1.911 -2.693 8.953
227 2HG GLN 29 2HG GLN 29 1.018 -2.418 10.461
228 1HE2 GLN 29 2HE2 GLN 29 1.750 -6.291 9.270
229 2HE2 GLN 29 1HE2 GLN 29 2.164 -4.984 8.192
230 H GLU 30 H GLU 30 0.371 0.887 8.973
231 HA GLU 30 HA GLU 30 1.694 1.256 6.423
232 1HB GLU 30 1HB GLU 30 1.157 3.018 8.487
233 2HB GLU 30 2HB GLU 30 2.888 2.664 8.742
234 1HG GLU 30 1HG GLU 30 3.137 3.036 6.209
235 2HG GLU 30 2HG GLU 30 1.535 3.762 6.255
236 H LEU 31 H LEU 31 3.720 0.772 5.826
237 HA LEU 31 HA LEU 31 5.508 -0.765 7.667
238 1HB LEU 31 1HB LEU 31 4.621 -1.526 4.891
239 2HB LEU 31 2HB LEU 31 6.040 -2.195 5.687
240 HG LEU 31 HG LEU 31 3.138 -2.453 6.602
241 1HD1 LEU 31 1HD1 LEU 31 5.240 -4.379 5.578
242 2HD1 LEU 31 2HD1 LEU 31 3.608 -4.799 6.098
243 3HD1 LEU 31 3HD1 LEU 31 3.817 -3.766 4.668
244 1HD2 LEU 31 2HD2 LEU 31 5.707 -3.466 7.886
245 2HD2 LEU 31 3HD2 LEU 31 4.391 -2.524 8.644
246 3HD2 LEU 31 1HD2 LEU 31 4.124 -4.198 8.194
247 HA PRO 32 HA PRO 32 7.793 2.792 5.752
248 1HB PRO 32 1HB PRO 32 9.361 2.711 8.221
249 2HB PRO 32 2HB PRO 32 8.369 4.033 7.558
250 1HG PRO 32 1HG PRO 32 7.707 2.570 9.849
251 2HG PRO 32 2HG PRO 32 6.526 3.414 8.801
252 1HD PRO 32 1HD PRO 32 7.211 0.474 8.827
253 2HD PRO 32 2HD PRO 32 5.646 1.285 8.587
254 H ILE 33 H ILE 33 9.171 2.013 4.300
255 HA ILE 33 HA ILE 33 11.454 0.245 5.091
256 HB ILE 33 HB ILE 33 11.508 -0.170 2.572
257 1HG1 ILE 33 1HG1 ILE 33 8.555 0.409 2.737
258 2HG1 ILE 33 2HG1 ILE 33 9.770 1.380 1.888
259 1HG2 ILE 33 3HG2 ILE 33 11.208 -1.779 4.350
260 2HG2 ILE 33 1HG2 ILE 33 9.465 -1.459 4.382
261 3HG2 ILE 33 2HG2 ILE 33 10.234 -2.231 2.957
262 1HD1 ILE 33 2HD1 ILE 33 9.121 -1.530 1.231
263 2HD1 ILE 33 3HD1 ILE 33 8.585 -0.118 0.334
264 3HD1 ILE 33 1HD1 ILE 33 10.287 -0.490 0.404
265 H ASP 34 H ASP 34 11.621 2.642 5.825
266 HA ASP 34 HA ASP 34 13.260 4.064 3.817
267 1HB ASP 34 1HB ASP 34 11.718 5.571 4.953
268 2HB ASP 34 2HB ASP 34 12.138 4.897 6.535
269 H GLY 35 H GLY 35 15.444 3.946 3.982
270 1HA GLY 35 1HA GLY 35 17.545 3.726 4.853
271 2HA GLY 35 2HA GLY 35 16.843 3.652 6.464
272 H ASN 36 H ASN 36 15.201 1.292 5.856
273 HA ASN 36 HA ASN 36 17.158 -0.920 5.991
274 1HB ASN 36 1HB ASN 36 15.343 -1.367 7.408
275 2HB ASN 36 2HB ASN 36 14.188 -0.546 6.365
276 1HD2 ASN 36 2HD2 ASN 36 13.099 -3.458 4.819
277 2HD2 ASN 36 1HD2 ASN 36 12.700 -2.069 5.832
278 H ALA 37 H ALA 37 17.934 -1.757 4.097
279 HA ALA 37 HA ALA 37 16.433 -1.237 1.603
280 1HB ALA 37 2HB ALA 37 18.864 -0.726 1.637
281 2HB ALA 37 3HB ALA 37 19.197 -2.445 1.998
282 3HB ALA 37 1HB ALA 37 18.460 -1.982 0.454
283 H ALA 38 H ALA 38 17.026 -3.795 3.870
284 HA ALA 38 HA ALA 38 16.775 -6.014 2.089
285 1HB ALA 38 2HB ALA 38 17.741 -6.242 4.351
286 2HB ALA 38 3HB ALA 38 16.160 -5.885 5.079
287 3HB ALA 38 1HB ALA 38 16.381 -7.351 4.114
288 H LYS 39 H LYS 39 14.293 -4.934 4.476
289 HA LYS 39 HA LYS 39 12.304 -6.370 2.975
290 1HB LYS 39 1HB LYS 39 12.157 -5.584 5.472
291 2HB LYS 39 2HB LYS 39 11.338 -4.178 4.782
292 1HG LYS 39 1HG LYS 39 9.649 -5.626 3.731
293 2HG LYS 39 2HG LYS 39 10.543 -7.069 4.223
294 1HD LYS 39 1HD LYS 39 8.681 -6.792 5.730
295 2HD LYS 39 2HD LYS 39 10.187 -6.507 6.595
296 1HE LYS 39 1HE LYS 39 9.595 -3.945 5.823
297 2HE LYS 39 2HE LYS 39 7.961 -4.619 5.866
298 1HZ LYS 39 1HZ LYS 39 9.915 -4.614 8.078
299 2HZ LYS 39 2HZ LYS 39 8.607 -3.611 7.929
300 3HZ LYS 39 3HZ LYS 39 8.385 -5.226 8.179
301 H ARG 40 H ARG 40 13.519 -3.095 2.557
302 HA ARG 40 HA ARG 40 11.509 -2.123 0.810
303 1HB ARG 40 1HB ARG 40 13.359 -0.738 1.698
304 2HB ARG 40 2HB ARG 40 14.508 -1.762 0.890
305 1HG ARG 40 1HG ARG 40 14.524 0.179 -0.248
306 2HG ARG 40 2HG ARG 40 13.685 -0.950 -1.307
307 1HD ARG 40 1HD ARG 40 11.653 0.225 -1.147
308 2HD ARG 40 2HD ARG 40 12.032 0.901 0.449
309 HE ARG 40 HE ARG 40 12.747 1.918 -2.175
310 1HH1 ARG 40 2HH2 ARG 40 13.425 2.247 1.341
311 2HH1 ARG 40 1HH2 ARG 40 14.419 3.636 1.131
312 1HH2 ARG 40 2HH1 ARG 40 13.658 3.980 -2.331
313 2HH2 ARG 40 1HH1 ARG 40 14.497 4.721 -1.013
314 H GLU 41 H GLU 41 14.503 -4.069 0.019
315 HA GLU 41 HA GLU 41 13.702 -4.292 -2.713
316 1HB GLU 41 1HB GLU 41 16.052 -4.500 -1.567
317 2HB GLU 41 2HB GLU 41 15.603 -6.197 -1.342
318 1HG GLU 41 1HG GLU 41 15.078 -6.184 -3.897
319 2HG GLU 41 2HG GLU 41 15.871 -4.614 -3.942
320 H GLU 42 H GLU 42 13.031 -6.255 0.162
321 HA GLU 42 HA GLU 42 11.910 -8.513 -1.182
322 1HB GLU 42 1HB GLU 42 12.389 -8.378 1.296
323 2HB GLU 42 2HB GLU 42 11.042 -7.250 1.444
324 1HG GLU 42 1HG GLU 42 10.170 -9.284 2.126
325 2HG GLU 42 2HG GLU 42 9.512 -9.050 0.519
326 H MET 43 H MET 43 10.447 -5.367 -0.161
327 HA MET 43 HA MET 43 7.843 -5.890 -1.183
328 1HB MET 43 1HB MET 43 8.314 -4.052 0.362
329 2HB MET 43 2HB MET 43 9.313 -3.251 -0.837
330 1HG MET 43 1HG MET 43 6.773 -3.717 -2.082
331 2HG MET 43 2HG MET 43 6.460 -3.146 -0.465
332 1HE MET 43 1HE MET 43 8.137 -2.369 -3.942
333 2HE MET 43 2HE MET 43 8.775 -0.729 -3.708
334 3HE MET 43 3HE MET 43 9.545 -2.098 -2.883
335 H ILE 44 H ILE 44 10.819 -4.641 -2.786
336 HA ILE 44 HA ILE 44 9.593 -4.058 -5.284
337 HB ILE 44 HB ILE 44 12.455 -4.928 -4.730
338 1HG1 ILE 44 1HG1 ILE 44 11.168 -2.179 -5.051
339 2HG1 ILE 44 2HG1 ILE 44 11.792 -2.849 -3.576
340 1HG2 ILE 44 2HG2 ILE 44 11.817 -5.287 -7.125
341 2HG2 ILE 44 3HG2 ILE 44 11.313 -3.590 -7.223
342 3HG2 ILE 44 1HG2 ILE 44 13.013 -4.016 -6.939
343 1HD1 ILE 44 2HD1 ILE 44 14.098 -2.898 -4.559
344 2HD1 ILE 44 3HD1 ILE 44 13.455 -2.010 -5.958
345 3HD1 ILE 44 1HD1 ILE 44 13.396 -1.282 -4.350
346 H LYS 45 H LYS 45 11.191 -7.133 -4.182
347 HA LYS 45 HA LYS 45 10.420 -8.642 -6.472
348 1HB LYS 45 1HB LYS 45 11.182 -9.352 -3.638
349 2HB LYS 45 2HB LYS 45 10.371 -10.569 -4.620
350 1HG LYS 45 1HG LYS 45 12.080 -10.198 -6.438
351 2HG LYS 45 2HG LYS 45 12.985 -9.169 -5.308
352 1HD LYS 45 1HD LYS 45 13.220 -11.081 -3.756
353 2HD LYS 45 2HD LYS 45 12.162 -12.060 -4.773
354 1HE LYS 45 1HE LYS 45 14.288 -12.825 -5.330
355 2HE LYS 45 2HE LYS 45 13.830 -11.771 -6.667
356 1HZ LYS 45 1HZ LYS 45 15.256 -10.041 -5.663
357 2HZ LYS 45 2HZ LYS 45 15.679 -11.074 -4.458
358 3HZ LYS 45 3HZ LYS 45 16.068 -11.408 -6.025
359 H ARG 46 H ARG 46 8.642 -8.194 -3.410
360 HA ARG 46 HA ARG 46 6.451 -9.831 -4.133
361 1HB ARG 46 1HB ARG 46 7.049 -7.884 -1.962
362 2HB ARG 46 2HB ARG 46 5.367 -7.912 -2.424
363 1HG ARG 46 1HG ARG 46 5.119 -9.503 -0.962
364 2HG ARG 46 2HG ARG 46 5.753 -10.555 -2.217
365 1HD ARG 46 1HD ARG 46 8.057 -10.213 -1.195
366 2HD ARG 46 2HD ARG 46 7.271 -9.311 0.119
367 HE ARG 46 HE ARG 46 6.739 -12.110 -0.696
368 1HH1 ARG 46 2HH2 ARG 46 6.802 -9.811 2.005
369 2HH1 ARG 46 1HH2 ARG 46 6.037 -10.874 3.137
370 1HH2 ARG 46 2HH1 ARG 46 5.921 -13.601 0.835
371 2HH2 ARG 46 1HH1 ARG 46 5.502 -13.089 2.441
372 H SER 47 H SER 47 7.218 -6.729 -5.423
373 HA SER 47 HA SER 47 4.395 -6.477 -6.379
374 1HB SER 47 1HB SER 47 4.835 -4.039 -6.482
375 2HB SER 47 2HB SER 47 4.926 -4.697 -4.839
376 HG SER 47 HG SER 47 7.160 -4.605 -4.944
377 H GLY 48 H GLY 48 7.691 -6.772 -7.464
378 1HA GLY 48 1HA GLY 48 8.608 -6.804 -9.548
379 2HA GLY 48 2HA GLY 48 6.992 -6.748 -10.269
380 H ARG 49 H ARG 49 7.840 -4.209 -7.905
381 HA ARG 49 HA ARG 49 8.328 -2.255 -10.090
382 1HB ARG 49 1HB ARG 49 6.193 -2.077 -7.906
383 2HB ARG 49 2HB ARG 49 6.742 -0.707 -8.887
384 1HG ARG 49 1HG ARG 49 5.879 -1.650 -10.897
385 2HG ARG 49 2HG ARG 49 5.566 -3.224 -10.131
386 1HD ARG 49 1HD ARG 49 3.906 -2.133 -8.627
387 2HD ARG 49 2HD ARG 49 4.081 -0.633 -9.547
388 HE ARG 49 HE ARG 49 2.650 -3.074 -10.280
389 1HH1 ARG 49 2HH2 ARG 49 3.976 -0.044 -11.596
390 2HH1 ARG 49 1HH2 ARG 49 3.215 -0.293 -13.152
391 1HH2 ARG 49 2HH1 ARG 49 1.546 -3.249 -12.361
392 2HH2 ARG 49 1HH1 ARG 49 1.743 -1.953 -13.478
393 H THR 50 H THR 50 9.663 -0.542 -9.387
394 HA THR 50 HA THR 50 10.979 -1.039 -6.776
395 HB THR 50 HB THR 50 11.650 0.519 -9.228
396 HG1 THR 50 HG1 THR 50 12.291 -1.671 -8.897
397 1HG2 THR 50 2HG2 THR 50 13.032 0.783 -6.512
398 2HG2 THR 50 3HG2 THR 50 13.680 1.394 -8.038
399 3HG2 THR 50 1HG2 THR 50 12.209 2.101 -7.383
400 H THR 51 H THR 51 8.589 1.147 -8.320
401 HA THR 51 HA THR 51 9.142 3.255 -6.450
402 HB THR 51 HB THR 51 6.943 4.198 -7.368
403 HG1 THR 51 HG1 THR 51 6.276 1.934 -7.889
404 1HG2 THR 51 3HG2 THR 51 9.293 4.552 -8.401
405 2HG2 THR 51 1HG2 THR 51 8.843 3.332 -9.590
406 3HG2 THR 51 2HG2 THR 51 7.889 4.828 -9.435
407 H VAL 52 H VAL 52 8.108 3.854 -4.655
408 HA VAL 52 HA VAL 52 6.155 1.995 -3.443
409 HB VAL 52 HB VAL 52 6.745 2.906 -1.379
410 1HG1 VAL 52 2HG1 VAL 52 8.397 1.335 -2.277
411 2HG1 VAL 52 3HG1 VAL 52 9.359 2.704 -2.910
412 3HG1 VAL 52 1HG1 VAL 52 9.145 2.508 -1.171
413 1HG2 VAL 52 1HG2 VAL 52 6.934 5.288 -1.778
414 2HG2 VAL 52 2HG2 VAL 52 8.300 4.659 -0.874
415 3HG2 VAL 52 3HG2 VAL 52 8.517 5.007 -2.597
416 HA PRO 53 HA PRO 53 4.787 2.608 -1.258
417 1HB PRO 53 1HB PRO 53 2.187 2.685 -0.672
418 2HB PRO 53 2HB PRO 53 3.263 4.062 -0.279
419 1HG PRO 53 1HG PRO 53 1.420 3.737 -2.636
420 2HG PRO 53 2HG PRO 53 1.628 5.170 -1.558
421 1HD PRO 53 1HD PRO 53 2.861 4.933 -3.997
422 2HD PRO 53 2HD PRO 53 3.553 5.855 -2.630
423 H GLN 54 H GLN 54 3.493 0.535 -0.970
424 HA GLN 54 HA GLN 54 2.324 -0.563 -3.427
425 1HB GLN 54 1HB GLN 54 4.671 -1.791 -1.898
426 2HB GLN 54 2HB GLN 54 3.607 -2.733 -2.928
427 1HG GLN 54 1HG GLN 54 5.340 -0.403 -3.867
428 2HG GLN 54 2HG GLN 54 5.670 -2.118 -4.124
429 1HE2 GLN 54 2HE2 GLN 54 3.561 -0.378 -6.942
430 2HE2 GLN 54 1HE2 GLN 54 4.940 0.271 -6.011
431 H ILE 55 H ILE 55 0.600 -2.095 -2.791
432 HA ILE 55 HA ILE 55 0.253 -2.235 0.114
433 HB ILE 55 HB ILE 55 -1.877 -1.517 -1.939
434 1HG1 ILE 55 1HG1 ILE 55 -1.928 0.476 -0.054
435 2HG1 ILE 55 2HG1 ILE 55 -0.230 0.084 0.005
436 1HG2 ILE 55 3HG2 ILE 55 -2.071 -1.923 1.083
437 2HG2 ILE 55 1HG2 ILE 55 -3.381 -1.350 0.034
438 3HG2 ILE 55 2HG2 ILE 55 -2.769 -2.981 -0.157
439 1HD1 ILE 55 3HD1 ILE 55 -0.062 0.559 -2.459
440 2HD1 ILE 55 1HD1 ILE 55 -1.792 0.943 -2.461
441 3HD1 ILE 55 2HD1 ILE 55 -0.665 1.938 -1.528
442 H PHE 56 H PHE 56 -0.675 -4.085 0.788
443 HA PHE 56 HA PHE 56 -1.094 -6.292 -1.101
444 1HB PHE 56 1HB PHE 56 0.550 -6.375 1.481
445 2HB PHE 56 2HB PHE 56 0.100 -7.772 0.492
446 HD1 PHE 56 HD2 PHE 56 1.125 -8.172 -1.708
447 HD2 PHE 56 HD1 PHE 56 2.269 -4.791 0.702
448 HE1 PHE 56 HE2 PHE 56 2.972 -7.679 -3.266
449 HE2 PHE 56 HE1 PHE 56 4.137 -4.298 -0.869
450 HZ PHE 56 HZ PHE 56 4.460 -5.718 -2.889
451 H ILE 57 H ILE 57 -2.914 -7.492 -0.443
452 HA ILE 57 HA ILE 57 -4.203 -6.810 2.138
453 HB ILE 57 HB ILE 57 -5.614 -6.723 -0.570
454 1HG1 ILE 57 1HG1 ILE 57 -4.802 -4.554 1.398
455 2HG1 ILE 57 2HG1 ILE 57 -4.306 -4.722 -0.270
456 1HG2 ILE 57 1HG2 ILE 57 -6.649 -6.484 2.298
457 2HG2 ILE 57 2HG2 ILE 57 -7.611 -6.088 0.856
458 3HG2 ILE 57 3HG2 ILE 57 -7.047 -7.728 1.115
459 1HD1 ILE 57 2HD1 ILE 57 -6.701 -4.305 -0.972
460 2HD1 ILE 57 3HD1 ILE 57 -7.032 -3.898 0.730
461 3HD1 ILE 57 1HD1 ILE 57 -5.864 -2.943 -0.189
462 H ASP 58 H ASP 58 -4.770 -8.737 3.106
463 HA ASP 58 HA ASP 58 -4.507 -11.011 3.410
464 1HB ASP 58 1HB ASP 58 -6.565 -10.644 1.269
465 2HB ASP 58 2HB ASP 58 -6.345 -12.176 2.134
466 H ALA 59 H ALA 59 -2.488 -10.207 2.114
467 HA ALA 59 HA ALA 59 -0.566 -10.771 1.093
468 1HB ALA 59 1HB ALA 59 -1.001 -12.920 2.241
469 2HB ALA 59 2HB ALA 59 -1.664 -13.553 0.720
470 3HB ALA 59 3HB ALA 59 0.041 -13.043 0.815
471 H GLN 60 H GLN 60 -3.331 -10.530 -0.704
472 HA GLN 60 HA GLN 60 -2.192 -11.159 -3.330
473 1HB GLN 60 1HB GLN 60 -4.683 -9.628 -2.442
474 2HB GLN 60 2HB GLN 60 -4.246 -9.932 -4.113
475 1HG GLN 60 1HG GLN 60 -4.863 -12.112 -4.062
476 2HG GLN 60 2HG GLN 60 -4.294 -12.391 -2.430
477 1HE2 GLN 60 2HE2 GLN 60 -7.425 -11.751 -0.887
478 2HE2 GLN 60 1HE2 GLN 60 -5.690 -11.761 -0.591
479 H HIS 61 H HIS 61 -1.338 -9.609 -4.710
480 HA HIS 61 HA HIS 61 -0.306 -7.139 -3.399
481 1HB HIS 61 1HB HIS 61 1.293 -8.510 -4.657
482 2HB HIS 61 2HB HIS 61 0.237 -8.523 -6.067
483 HD1 HIS 61 HD1 HIS 61 1.528 -7.220 -7.833
484 HD2 HIS 61 HD2 HIS 61 1.452 -5.380 -4.008
485 HE1 HIS 61 HE1 HIS 61 2.646 -4.910 -8.084
486 HE2 HIS 61 HE2 HIS 61 2.530 -3.770 -5.794
487 H ILE 62 H ILE 62 -0.956 -5.068 -4.039
488 HA ILE 62 HA ILE 62 -3.276 -4.901 -5.819
489 HB ILE 62 HB ILE 62 -1.854 -2.678 -4.312
490 1HG1 ILE 62 1HG1 ILE 62 -2.583 -4.136 -2.631
491 2HG1 ILE 62 2HG1 ILE 62 -3.762 -2.866 -2.706
492 1HG2 ILE 62 3HG2 ILE 62 -4.560 -2.822 -5.693
493 2HG2 ILE 62 1HG2 ILE 62 -4.065 -1.518 -4.600
494 3HG2 ILE 62 2HG2 ILE 62 -3.200 -1.776 -6.117
495 1HD1 ILE 62 2HD1 ILE 62 -5.291 -4.364 -4.039
496 2HD1 ILE 62 3HD1 ILE 62 -4.128 -5.687 -3.807
497 3HD1 ILE 62 1HD1 ILE 62 -4.936 -4.970 -2.422
498 H GLY 63 H GLY 63 -0.372 -2.804 -5.734
499 1HA GLY 63 1HA GLY 63 0.844 -3.168 -8.138
500 2HA GLY 63 2HA GLY 63 -0.624 -2.305 -8.595
501 H GLY 64 H GLY 64 -0.916 -0.565 -6.300
502 1HA GLY 64 1HA GLY 64 1.319 0.806 -5.382
503 2HA GLY 64 2HA GLY 64 0.951 1.425 -6.994
504 H TYR 65 H TYR 65 0.504 3.382 -5.790
505 HA TYR 65 HA TYR 65 -1.650 3.624 -3.842
506 1HB TYR 65 1HB TYR 65 0.280 5.162 -3.785
507 2HB TYR 65 2HB TYR 65 0.005 5.587 -5.447
508 HD1 TYR 65 HD2 TYR 65 -3.119 5.554 -3.428
509 HD2 TYR 65 HD1 TYR 65 0.411 7.805 -4.447
510 HE1 TYR 65 HE2 TYR 65 -4.297 7.638 -2.935
511 HE2 TYR 65 HE1 TYR 65 -0.756 9.887 -3.982
512 HH TYR 65 HH TYR 65 -2.964 10.750 -3.962
513 H ASP 66 H ASP 66 -1.264 4.905 -7.242
514 HA ASP 66 HA ASP 66 -3.946 5.769 -7.447
515 1HB ASP 66 1HB ASP 66 -1.874 4.971 -9.513
516 2HB ASP 66 2HB ASP 66 -3.516 5.413 -9.979
517 H ASP 67 H ASP 67 -2.436 2.631 -8.070
518 HA ASP 67 HA ASP 67 -4.670 1.309 -9.266
519 1HB ASP 67 1HB ASP 67 -2.463 0.126 -7.532
520 2HB ASP 67 2HB ASP 67 -3.611 -0.802 -8.493
521 H LEU 68 H LEU 68 -3.588 1.562 -5.800
522 HA LEU 68 HA LEU 68 -5.858 0.085 -4.819
523 1HB LEU 68 1HB LEU 68 -3.798 0.464 -3.436
524 2HB LEU 68 2HB LEU 68 -4.212 2.176 -3.333
525 HG LEU 68 HG LEU 68 -6.451 1.482 -2.268
526 1HD1 LEU 68 1HD1 LEU 68 -5.050 -1.219 -2.169
527 2HD1 LEU 68 2HD1 LEU 68 -6.470 -0.789 -1.220
528 3HD1 LEU 68 3HD1 LEU 68 -6.594 -0.857 -2.977
529 1HD2 LEU 68 2HD2 LEU 68 -4.590 2.312 -0.924
530 2HD2 LEU 68 3HD2 LEU 68 -5.611 1.130 -0.097
531 3HD2 LEU 68 1HD2 LEU 68 -4.023 0.639 -0.723
532 H TYR 69 H TYR 69 -5.255 3.537 -5.251
533 HA TYR 69 HA TYR 69 -7.508 4.627 -4.013
534 1HB TYR 69 1HB TYR 69 -5.569 5.923 -4.961
535 2HB TYR 69 2HB TYR 69 -6.177 5.627 -6.579
536 HD1 TYR 69 HD1 TYR 69 -8.612 6.466 -7.136
537 HD2 TYR 69 HD2 TYR 69 -6.284 7.868 -3.789
538 HE1 TYR 69 HE1 TYR 69 -10.093 8.406 -6.916
539 HE2 TYR 69 HE2 TYR 69 -7.774 9.808 -3.550
540 HH TYR 69 HH TYR 69 -10.651 10.245 -5.679
541 H ALA 70 H ALA 70 -7.143 3.517 -7.388
542 HA ALA 70 HA ALA 70 -9.877 4.067 -8.133
543 1HB ALA 70 3HB ALA 70 -7.996 3.846 -9.741
544 2HB ALA 70 1HB ALA 70 -7.859 2.122 -9.338
545 3HB ALA 70 2HB ALA 70 -9.341 2.740 -10.110
546 H LEU 71 H LEU 71 -8.143 1.205 -6.863
547 HA LEU 71 HA LEU 71 -10.252 -0.686 -7.080
548 1HB LEU 71 1HB LEU 71 -7.677 -0.832 -6.351
549 2HB LEU 71 2HB LEU 71 -8.341 -0.726 -4.747
550 HG LEU 71 HG LEU 71 -9.104 -2.785 -6.864
551 1HD1 LEU 71 2HD1 LEU 71 -6.773 -3.012 -6.133
552 2HD1 LEU 71 3HD1 LEU 71 -7.303 -3.028 -4.427
553 3HD1 LEU 71 1HD1 LEU 71 -7.758 -4.355 -5.523
554 1HD2 LEU 71 3HD2 LEU 71 -9.735 -2.674 -3.950
555 2HD2 LEU 71 1HD2 LEU 71 -10.890 -2.616 -5.322
556 3HD2 LEU 71 2HD2 LEU 71 -10.000 -4.096 -4.986
557 H ASP 72 H ASP 72 -9.369 1.647 -4.522
558 HA ASP 72 HA ASP 72 -11.413 0.722 -2.720
559 1HB ASP 72 1HB ASP 72 -9.182 1.918 -2.196
560 2HB ASP 72 2HB ASP 72 -10.005 3.407 -2.624
561 H ALA 73 H ALA 73 -11.139 3.410 -5.046
562 HA ALA 73 HA ALA 73 -13.701 4.553 -4.433
563 1HB ALA 73 2HB ALA 73 -11.856 5.837 -5.505
564 2HB ALA 73 3HB ALA 73 -12.016 4.819 -6.955
565 3HB ALA 73 1HB ALA 73 -13.350 5.884 -6.456
566 H ARG 74 H ARG 74 -12.747 1.924 -6.515
567 HA ARG 74 HA ARG 74 -15.343 1.696 -7.788
568 1HB ARG 74 1HB ARG 74 -14.537 -0.057 -8.899
569 2HB ARG 74 2HB ARG 74 -13.043 0.727 -8.534
570 1HG ARG 74 1HG ARG 74 -12.258 -1.194 -7.711
571 2HG ARG 74 2HG ARG 74 -13.430 -1.150 -6.433
572 1HD ARG 74 1HD ARG 74 -14.149 -2.339 -9.121
573 2HD ARG 74 2HD ARG 74 -13.247 -3.240 -7.900
574 HE ARG 74 HE ARG 74 -15.768 -1.980 -7.031
575 1HH1 ARG 74 2HH2 ARG 74 -14.335 -5.003 -8.180
576 2HH1 ARG 74 1HH2 ARG 74 -15.363 -6.023 -7.219
577 1HH2 ARG 74 2HH1 ARG 74 -17.277 -3.283 -5.952
578 2HH2 ARG 74 1HH1 ARG 74 -17.194 -5.008 -6.118
579 H GLY 75 H GLY 75 -14.371 1.173 -4.606
580 1HA GLY 75 1HA GLY 75 -15.496 0.297 -2.805
581 2HA GLY 75 2HA GLY 75 -16.838 -0.148 -3.862
582 H GLY 76 H GLY 76 -13.394 -1.222 -4.418
583 1HA GLY 76 1HA GLY 76 -14.380 -4.020 -4.164
584 2HA GLY 76 2HA GLY 76 -13.177 -3.429 -5.307
585 H LEU 77 H LEU 77 -12.176 -1.662 -2.846
586 HA LEU 77 HA LEU 77 -10.210 -3.571 -1.873
587 1HB LEU 77 1HB LEU 77 -9.809 -1.095 -2.079
588 2HB LEU 77 2HB LEU 77 -10.950 -0.807 -0.787
589 HG LEU 77 HG LEU 77 -8.226 -2.069 -0.623
590 1HD1 LEU 77 1HD1 LEU 77 -8.512 0.406 -0.622
591 2HD1 LEU 77 2HD1 LEU 77 -9.586 0.270 0.782
592 3HD1 LEU 77 3HD1 LEU 77 -7.876 -0.189 0.920
593 1HD2 LEU 77 1HD2 LEU 77 -10.274 -2.046 1.635
594 2HD2 LEU 77 2HD2 LEU 77 -9.316 -3.426 1.026
595 3HD2 LEU 77 3HD2 LEU 77 -8.520 -2.146 1.897
596 H ASP 78 H ASP 78 -13.152 -1.967 -0.665
597 HA ASP 78 HA ASP 78 -13.065 -2.866 1.966
598 1HB ASP 78 1HB ASP 78 -14.701 -1.249 1.501
599 2HB ASP 78 2HB ASP 78 -15.432 -2.195 0.199
600 HA PRO 79 HA PRO 79 -15.319 -6.960 0.987
601 1HB PRO 79 1HB PRO 79 -15.398 -7.954 -1.586
602 2HB PRO 79 2HB PRO 79 -16.672 -6.944 -0.836
603 1HG PRO 79 1HG PRO 79 -14.404 -6.044 -2.631
604 2HG PRO 79 2HG PRO 79 -16.150 -5.638 -2.762
605 1HD PRO 79 1HD PRO 79 -14.457 -3.932 -1.582
606 2HD PRO 79 2HD PRO 79 -16.064 -4.223 -0.874
607 H LEU 80 H LEU 80 -12.273 -5.968 -0.441
608 HA LEU 80 HA LEU 80 -11.089 -8.664 -0.203
609 1HB LEU 80 1HB LEU 80 -9.891 -5.970 -0.905
610 2HB LEU 80 2HB LEU 80 -8.938 -7.416 -0.645
611 HG LEU 80 HG LEU 80 -11.125 -7.302 -2.753
612 1HD1 LEU 80 3HD1 LEU 80 -9.438 -5.557 -3.195
613 2HD1 LEU 80 1HD1 LEU 80 -8.138 -6.749 -3.031
614 3HD1 LEU 80 2HD1 LEU 80 -9.308 -6.872 -4.369
615 1HD2 LEU 80 2HD2 LEU 80 -8.706 -9.140 -2.379
616 2HD2 LEU 80 3HD2 LEU 80 -10.395 -9.587 -2.083
617 3HD2 LEU 80 1HD2 LEU 80 -9.863 -9.203 -3.722
618 H LEU 81 H LEU 81 -11.664 -5.815 1.780
619 HA LEU 81 HA LEU 81 -9.539 -6.291 3.665
620 1HB LEU 81 1HB LEU 81 -10.641 -4.118 3.417
621 2HB LEU 81 2HB LEU 81 -12.172 -4.792 3.918
622 HG LEU 81 HG LEU 81 -11.181 -3.386 5.593
623 1HD1 LEU 81 3HD1 LEU 81 -12.638 -5.404 6.225
624 2HD1 LEU 81 1HD1 LEU 81 -11.151 -6.123 6.862
625 3HD1 LEU 81 2HD1 LEU 81 -11.741 -4.568 7.483
626 1HD2 LEU 81 3HD2 LEU 81 -8.846 -3.725 5.258
627 2HD2 LEU 81 1HD2 LEU 81 -9.244 -4.075 6.937
628 3HD2 LEU 81 2HD2 LEU 81 -8.940 -5.418 5.810
629 H LYS 82 H LYS 82 -13.050 -7.070 3.725
630 HA LYS 82 HA LYS 82 -13.591 -7.816 6.078
631 1HB LYS 82 1HB LYS 82 -15.326 -9.181 5.301
632 2HB LYS 82 2HB LYS 82 -15.056 -7.926 4.103
633 1HG LYS 82 1HG LYS 82 -13.667 -9.615 2.801
634 2HG LYS 82 2HG LYS 82 -14.227 -10.839 3.957
635 1HD LYS 82 1HD LYS 82 -16.503 -10.597 3.306
636 2HD LYS 82 2HD LYS 82 -16.140 -9.182 2.303
637 1HE LYS 82 1HE LYS 82 -16.460 -11.309 1.003
638 2HE LYS 82 2HE LYS 82 -14.942 -10.466 0.698
639 1HZ LYS 82 1HZ LYS 82 -15.205 -12.796 2.487
640 2HZ LYS 82 2HZ LYS 82 -14.668 -12.833 0.912
641 3HZ LYS 82 3HZ LYS 82 -13.801 -12.045 2.072
642 1HB2 GTT 83 1HB2 GTT 83 7.004 6.385 -3.592
643 2HB2 GTT 83 2HB2 GTT 83 8.431 7.217 -2.985
644 HA2 GTT 83 HA2 GTT 83 8.461 8.522 -5.175
645 HN2 GTT 83 HN2 GTT 83 6.755 6.444 -6.287
646 1HG1 GTT 83 1HG1 GTT 83 4.332 8.269 -7.714
647 2HG1 GTT 83 2HG1 GTT 83 5.359 6.806 -7.836
648 1HB1 GTT 83 1HB1 GTT 83 7.013 8.061 -9.184
649 2HB1 GTT 83 2HB1 GTT 83 6.099 9.552 -8.932
650 HA1 GTT 83 HA1 GTT 83 4.117 8.418 -10.095
651 1HN1 GTT 83 1HN1 GTT 83 4.775 6.751 -11.656
652 2HN1 GTT 83 2HN1 GTT 83 6.275 6.721 -11.099
653 3HN1 GTT 83 3HN1 GTT 83 5.039 6.156 -10.125
654 HN3 GTT 83 HN3 GTT 83 10.436 7.119 -4.219
655 1HA3 GTT 83 1HA3 GTT 83 10.580 4.344 -5.030
656 2HA3 GTT 83 2HA3 GTT 83 11.617 5.415 -5.995
No H/Q in entry = 656
Start of MODEL 20
1 1H ALA 1 3H ALA 1 -7.933 -10.497 7.442
2 2H ALA 1 1H ALA 1 -8.851 -9.304 8.080
3 3H ALA 1 2H ALA 1 -9.413 -10.151 6.777
4 HA ALA 1 HA ALA 1 -7.730 -9.323 5.393
5 1HB ALA 1 3HB ALA 1 -9.829 -7.970 5.671
6 2HB ALA 1 1HB ALA 1 -8.980 -6.994 6.890
7 3HB ALA 1 2HB ALA 1 -8.408 -7.007 5.210
8 H ASN 2 H ASN 2 -5.766 -8.436 5.092
9 HA ASN 2 HA ASN 2 -4.150 -7.394 7.377
10 1HB ASN 2 1HB ASN 2 -3.861 -9.838 7.226
11 2HB ASN 2 2HB ASN 2 -3.432 -9.720 5.532
12 1HD2 ASN 2 2HD2 ASN 2 -0.093 -8.381 6.272
13 2HD2 ASN 2 1HD2 ASN 2 -1.436 -8.081 5.175
14 H VAL 3 H VAL 3 -4.725 -5.429 6.197
15 HA VAL 3 HA VAL 3 -3.613 -4.989 3.527
16 HB VAL 3 HB VAL 3 -4.682 -2.945 5.495
17 1HG1 VAL 3 3HG1 VAL 3 -3.356 -1.939 3.701
18 2HG1 VAL 3 1HG1 VAL 3 -4.326 -2.775 2.482
19 3HG1 VAL 3 2HG1 VAL 3 -5.066 -1.539 3.518
20 1HG2 VAL 3 3HG2 VAL 3 -6.236 -4.523 3.424
21 2HG2 VAL 3 1HG2 VAL 3 -6.502 -4.453 5.172
22 3HG2 VAL 3 2HG2 VAL 3 -6.801 -3.024 4.184
23 H GLU 4 H GLU 4 -1.433 -4.491 3.244
24 HA GLU 4 HA GLU 4 -0.034 -3.097 5.461
25 1HB GLU 4 1HB GLU 4 1.879 -4.315 3.628
26 2HB GLU 4 2HB GLU 4 1.781 -4.313 5.362
27 1HG GLU 4 1HG GLU 4 0.384 -6.274 5.411
28 2HG GLU 4 2HG GLU 4 0.263 -6.296 3.641
29 H ILE 5 H ILE 5 1.223 -1.266 4.733
30 HA ILE 5 HA ILE 5 1.110 -0.611 1.854
31 HB ILE 5 HB ILE 5 -0.673 0.687 2.590
32 1HG1 ILE 5 1HG1 ILE 5 1.731 2.554 2.598
33 2HG1 ILE 5 2HG1 ILE 5 1.137 1.778 1.151
34 1HG2 ILE 5 3HG2 ILE 5 -0.181 0.622 5.082
35 2HG2 ILE 5 1HG2 ILE 5 0.955 1.960 4.819
36 3HG2 ILE 5 2HG2 ILE 5 -0.766 2.166 4.468
37 1HD1 ILE 5 3HD1 ILE 5 -0.469 3.739 2.854
38 2HD1 ILE 5 1HD1 ILE 5 0.401 4.127 1.369
39 3HD1 ILE 5 2HD1 ILE 5 -0.977 3.015 1.312
40 H TYR 6 H TYR 6 3.078 -0.614 1.194
41 HA TYR 6 HA TYR 6 5.387 -0.306 2.951
42 1HB TYR 6 1HB TYR 6 5.054 -0.810 -0.031
43 2HB TYR 6 2HB TYR 6 6.614 -0.623 0.764
44 HD1 TYR 6 HD2 TYR 6 3.448 -2.699 0.960
45 HD2 TYR 6 HD1 TYR 6 7.694 -2.505 1.705
46 HE1 TYR 6 HE2 TYR 6 3.383 -4.956 1.887
47 HE2 TYR 6 HE1 TYR 6 7.651 -4.824 2.540
48 HH TYR 6 HH TYR 6 4.552 -6.551 3.111
49 H THR 7 H THR 7 6.642 1.581 3.106
50 HA THR 7 HA THR 7 5.940 3.938 1.429
51 HB THR 7 HB THR 7 5.640 5.265 3.510
52 HG1 THR 7 HG1 THR 7 5.534 2.757 4.811
53 1HG2 THR 7 2HG2 THR 7 3.598 4.292 2.381
54 2HG2 THR 7 3HG2 THR 7 3.677 2.959 3.546
55 3HG2 THR 7 1HG2 THR 7 3.424 4.607 4.124
56 H LYS 8 H LYS 8 7.519 5.783 1.866
57 HA LYS 8 HA LYS 8 9.827 4.999 3.445
58 1HB LYS 8 1HB LYS 8 11.508 5.604 1.972
59 2HB LYS 8 2HB LYS 8 10.414 4.657 0.981
60 1HG LYS 8 1HG LYS 8 9.447 6.816 0.118
61 2HG LYS 8 2HG LYS 8 10.788 7.647 0.921
62 1HD LYS 8 1HD LYS 8 11.462 5.327 -0.906
63 2HD LYS 8 2HD LYS 8 10.892 6.812 -1.624
64 1HE LYS 8 1HE LYS 8 13.233 6.873 -1.671
65 2HE LYS 8 2HE LYS 8 12.664 8.112 -0.548
66 1HZ LYS 8 1HZ LYS 8 13.700 5.460 0.298
67 2HZ LYS 8 2HZ LYS 8 14.615 6.829 0.196
68 3HZ LYS 8 3HZ LYS 8 13.415 6.735 1.288
69 H GLU 9 H GLU 9 10.890 7.348 4.092
70 HA GLU 9 HA GLU 9 8.627 9.018 4.726
71 1HB GLU 9 1HB GLU 9 10.587 8.486 6.274
72 2HB GLU 9 2HB GLU 9 11.540 9.601 5.299
73 1HG GLU 9 1HG GLU 9 10.569 10.468 7.487
74 2HG GLU 9 2HG GLU 9 10.361 11.469 6.063
75 H THR 10 H THR 10 9.072 11.511 4.499
76 HA THR 10 HA THR 10 9.033 13.302 3.142
77 HB THR 10 HB THR 10 11.226 13.256 3.987
78 HG1 THR 10 HG1 THR 10 11.706 14.070 1.383
79 1HG2 THR 10 3HG2 THR 10 12.085 11.617 1.590
80 2HG2 THR 10 1HG2 THR 10 13.205 12.565 2.591
81 3HG2 THR 10 2HG2 THR 10 12.279 11.250 3.312
82 H CYS 11 H CYS 11 7.477 11.502 2.086
83 HA CYS 11 HA CYS 11 7.851 11.545 -0.864
84 1HB CYS 11 1HB CYS 11 8.638 9.390 -0.046
85 2HB CYS 11 2HB CYS 11 7.194 9.195 0.942
86 HA PRO 12 HA PRO 12 3.831 13.156 0.592
87 1HB PRO 12 1HB PRO 12 3.111 14.637 -1.530
88 2HB PRO 12 2HB PRO 12 4.275 15.216 -0.294
89 1HG PRO 12 1HG PRO 12 4.889 13.992 -3.005
90 2HG PRO 12 2HG PRO 12 5.624 15.443 -2.256
91 1HD PRO 12 1HD PRO 12 6.833 13.001 -2.141
92 2HD PRO 12 2HD PRO 12 6.897 14.121 -0.743
93 H TYR 13 H TYR 13 4.359 11.653 -2.639
94 HA TYR 13 HA TYR 13 1.665 10.900 -3.178
95 1HB TYR 13 1HB TYR 13 3.864 10.810 -4.626
96 2HB TYR 13 2HB TYR 13 4.243 9.338 -3.774
97 HD1 TYR 13 HD2 TYR 13 1.431 10.916 -5.765
98 HD2 TYR 13 HD1 TYR 13 3.739 7.369 -4.920
99 HE1 TYR 13 HE2 TYR 13 0.197 9.697 -7.525
100 HE2 TYR 13 HE1 TYR 13 2.483 6.131 -6.658
101 HH TYR 13 HH TYR 13 -0.325 7.577 -8.323
102 H SER 14 H SER 14 4.176 9.372 -1.120
103 HA SER 14 HA SER 14 2.544 7.107 -0.368
104 1HB SER 14 1HB SER 14 4.940 6.986 -0.162
105 2HB SER 14 2HB SER 14 4.977 8.406 0.899
106 HG SER 14 HG SER 14 4.726 7.174 2.467
107 H HIS 15 H HIS 15 3.116 10.397 1.096
108 HA HIS 15 HA HIS 15 1.525 9.725 3.440
109 1HB HIS 15 1HB HIS 15 2.521 12.333 2.279
110 2HB HIS 15 2HB HIS 15 1.337 12.311 3.570
111 HD1 HIS 15 HD1 HIS 15 2.287 12.321 5.950
112 HD2 HIS 15 HD2 HIS 15 4.907 10.680 3.047
113 HE1 HIS 15 HE1 HIS 15 4.532 11.880 7.118
114 HE2 HIS 15 HE2 HIS 15 6.128 10.925 5.381
115 H ARG 16 H ARG 16 0.714 11.318 0.385
116 HA ARG 16 HA ARG 16 -2.027 11.799 0.664
117 1HB ARG 16 1HB ARG 16 -0.119 11.054 -1.548
118 2HB ARG 16 2HB ARG 16 -1.792 10.919 -1.899
119 1HG ARG 16 1HG ARG 16 -2.238 13.241 -1.413
120 2HG ARG 16 2HG ARG 16 -0.570 13.467 -0.826
121 1HD ARG 16 1HD ARG 16 0.324 12.901 -3.055
122 2HD ARG 16 2HD ARG 16 -1.298 12.504 -3.635
123 HE ARG 16 HE ARG 16 -1.648 14.648 -4.134
124 1HH1 ARG 16 2HH2 ARG 16 0.737 14.722 -1.525
125 2HH1 ARG 16 1HH2 ARG 16 1.252 16.346 -1.832
126 1HH2 ARG 16 2HH1 ARG 16 -0.910 16.687 -4.651
127 2HH2 ARG 16 1HH1 ARG 16 0.362 17.469 -3.737
128 H ALA 17 H ALA 17 -0.495 8.664 -0.431
129 HA ALA 17 HA ALA 17 -2.953 7.346 -0.598
130 1HB ALA 17 2HB ALA 17 -0.824 6.508 -1.549
131 2HB ALA 17 3HB ALA 17 -0.257 6.117 0.091
132 3HB ALA 17 1HB ALA 17 -1.658 5.265 -0.593
133 H LYS 18 H LYS 18 -1.150 8.022 2.296
134 HA LYS 18 HA LYS 18 -2.646 6.062 3.918
135 1HB LYS 18 1HB LYS 18 -0.718 8.323 4.584
136 2HB LYS 18 2HB LYS 18 -1.789 7.673 5.819
137 1HG LYS 18 1HG LYS 18 0.018 6.344 6.114
138 2HG LYS 18 2HG LYS 18 -1.011 5.345 5.111
139 1HD LYS 18 1HD LYS 18 1.119 5.032 4.221
140 2HD LYS 18 2HD LYS 18 0.329 6.095 3.084
141 1HE LYS 18 1HE LYS 18 2.745 6.608 3.598
142 2HE LYS 18 2HE LYS 18 1.623 7.954 3.731
143 1HZ LYS 18 2HZ LYS 18 2.299 6.461 6.144
144 2HZ LYS 18 3HZ LYS 18 3.374 7.563 5.594
145 3HZ LYS 18 1HZ LYS 18 1.841 8.028 5.989
146 H ALA 19 H ALA 19 -2.943 9.574 3.266
147 HA ALA 19 HA ALA 19 -5.320 9.887 4.864
148 1HB ALA 19 2HB ALA 19 -4.394 11.410 2.381
149 2HB ALA 19 3HB ALA 19 -5.765 11.856 3.414
150 3HB ALA 19 1HB ALA 19 -4.136 11.861 4.089
151 H LEU 20 H LEU 20 -4.758 8.589 1.608
152 HA LEU 20 HA LEU 20 -7.556 8.516 0.871
153 1HB LEU 20 1HB LEU 20 -5.899 8.232 -0.819
154 2HB LEU 20 2HB LEU 20 -5.161 6.868 -0.049
155 HG LEU 20 HG LEU 20 -6.517 6.448 -2.151
156 1HD1 LEU 20 1HD1 LEU 20 -5.776 4.625 -0.607
157 2HD1 LEU 20 2HD1 LEU 20 -7.422 4.640 0.083
158 3HD1 LEU 20 3HD1 LEU 20 -7.177 4.279 -1.627
159 1HD2 LEU 20 2HD2 LEU 20 -8.811 6.829 -0.257
160 2HD2 LEU 20 3HD2 LEU 20 -8.486 7.678 -1.771
161 3HD2 LEU 20 1HD2 LEU 20 -8.921 5.933 -1.762
162 H LEU 21 H LEU 21 -5.447 5.985 2.181
163 HA LEU 21 HA LEU 21 -7.482 4.064 2.592
164 1HB LEU 21 1HB LEU 21 -4.800 4.577 3.889
165 2HB LEU 21 2HB LEU 21 -5.834 3.287 4.485
166 HG LEU 21 HG LEU 21 -5.525 3.405 1.505
167 1HD1 LEU 21 3HD1 LEU 21 -3.262 3.889 2.204
168 2HD1 LEU 21 1HD1 LEU 21 -3.254 2.448 3.242
169 3HD1 LEU 21 2HD1 LEU 21 -3.407 2.306 1.459
170 1HD2 LEU 21 3HD2 LEU 21 -5.527 1.167 3.574
171 2HD2 LEU 21 1HD2 LEU 21 -6.843 1.633 2.459
172 3HD2 LEU 21 2HD2 LEU 21 -5.357 0.906 1.834
173 H SER 22 H SER 22 -6.370 6.585 4.968
174 HA SER 22 HA SER 22 -8.326 5.763 6.893
175 1HB SER 22 1HB SER 22 -6.922 8.449 6.592
176 2HB SER 22 2HB SER 22 -7.741 7.832 8.046
177 HG SER 22 HG SER 22 -6.256 5.986 7.877
178 H SER 23 H SER 23 -8.509 8.211 4.200
179 HA SER 23 HA SER 23 -11.024 9.285 4.878
180 1HB SER 23 1HB SER 23 -9.398 10.034 3.074
181 2HB SER 23 2HB SER 23 -9.972 8.691 2.073
182 HG SER 23 HG SER 23 -10.989 11.118 2.630
183 H LYS 24 H LYS 24 -10.118 6.379 3.026
184 HA LYS 24 HA LYS 24 -12.827 5.495 2.547
185 1HB LYS 24 1HB LYS 24 -10.110 4.134 2.296
186 2HB LYS 24 2HB LYS 24 -11.624 3.413 1.759
187 1HG LYS 24 1HG LYS 24 -10.536 6.064 0.709
188 2HG LYS 24 2HG LYS 24 -10.321 4.492 -0.078
189 1HD LYS 24 1HD LYS 24 -12.881 4.333 0.000
190 2HD LYS 24 2HD LYS 24 -12.870 6.068 0.375
191 1HE LYS 24 1HE LYS 24 -12.041 6.671 -1.725
192 2HE LYS 24 2HE LYS 24 -11.422 5.028 -2.045
193 1HZ LYS 24 1HZ LYS 24 -14.313 5.553 -1.756
194 2HZ LYS 24 2HZ LYS 24 -13.592 5.530 -3.227
195 3HZ LYS 24 3HZ LYS 24 -13.562 4.195 -2.246
196 H GLY 25 H GLY 25 -11.124 5.542 5.468
197 1HA GLY 25 1HA GLY 25 -11.798 4.687 7.481
198 2HA GLY 25 2HA GLY 25 -13.117 3.832 6.672
199 H VAL 26 H VAL 26 -9.921 3.228 5.367
200 HA VAL 26 HA VAL 26 -10.251 0.406 6.100
201 HB VAL 26 HB VAL 26 -8.240 1.896 4.367
202 1HG1 VAL 26 2HG1 VAL 26 -8.625 -1.103 4.626
203 2HG1 VAL 26 3HG1 VAL 26 -7.741 -0.324 3.324
204 3HG1 VAL 26 1HG1 VAL 26 -7.150 -0.172 4.971
205 1HG2 VAL 26 3HG2 VAL 26 -10.579 1.940 3.472
206 2HG2 VAL 26 1HG2 VAL 26 -9.516 0.982 2.455
207 3HG2 VAL 26 2HG2 VAL 26 -10.641 0.178 3.568
208 H SER 27 H SER 27 -8.332 -0.771 6.886
209 HA SER 27 HA SER 27 -6.932 0.680 9.075
210 1HB SER 27 1HB SER 27 -8.062 -2.142 9.081
211 2HB SER 27 2HB SER 27 -7.338 -1.269 10.440
212 HG SER 27 HG SER 27 -9.478 -1.163 10.669
213 H PHE 28 H PHE 28 -4.745 0.638 8.596
214 HA PHE 28 HA PHE 28 -3.736 -1.645 6.947
215 1HB PHE 28 1HB PHE 28 -2.332 -0.073 5.755
216 2HB PHE 28 2HB PHE 28 -4.032 0.272 5.557
217 HD1 PHE 28 HD2 PHE 28 -0.895 1.454 7.243
218 HD2 PHE 28 HD1 PHE 28 -5.003 2.355 6.286
219 HE1 PHE 28 HE2 PHE 28 -0.505 3.831 7.787
220 HE2 PHE 28 HE1 PHE 28 -4.583 4.750 6.792
221 HZ PHE 28 HZ PHE 28 -2.348 5.486 7.573
222 H GLN 29 H GLN 29 -1.360 -1.864 6.954
223 HA GLN 29 HA GLN 29 -0.085 -1.328 9.566
224 1HB GLN 29 1HB GLN 29 -0.616 -3.761 9.208
225 2HB GLN 29 2HB GLN 29 0.261 -3.728 7.685
226 1HG GLN 29 1HG GLN 29 2.347 -3.104 8.885
227 2HG GLN 29 2HG GLN 29 1.452 -3.062 10.409
228 1HE2 GLN 29 2HE2 GLN 29 2.615 -6.677 8.828
229 2HE2 GLN 29 1HE2 GLN 29 2.707 -5.241 7.850
230 H GLU 30 H GLU 30 0.993 0.491 8.946
231 HA GLU 30 HA GLU 30 2.136 0.801 6.308
232 1HB GLU 30 1HB GLU 30 1.600 2.656 8.024
233 2HB GLU 30 2HB GLU 30 3.163 2.197 8.763
234 1HG GLU 30 1HG GLU 30 4.409 2.795 6.863
235 2HG GLU 30 2HG GLU 30 2.981 2.813 5.816
236 H LEU 31 H LEU 31 4.171 0.596 5.716
237 HA LEU 31 HA LEU 31 6.111 -1.015 7.316
238 1HB LEU 31 1HB LEU 31 5.014 -1.697 4.589
239 2HB LEU 31 2HB LEU 31 6.485 -2.398 5.251
240 HG LEU 31 HG LEU 31 3.686 -2.609 6.470
241 1HD1 LEU 31 1HD1 LEU 31 4.067 -3.891 4.467
242 2HD1 LEU 31 2HD1 LEU 31 5.543 -4.604 5.178
243 3HD1 LEU 31 3HD1 LEU 31 3.951 -4.966 5.883
244 1HD2 LEU 31 3HD2 LEU 31 6.300 -3.859 7.402
245 2HD2 LEU 31 1HD2 LEU 31 5.277 -2.725 8.330
246 3HD2 LEU 31 2HD2 LEU 31 4.686 -4.338 7.960
247 HA PRO 32 HA PRO 32 8.333 2.665 5.555
248 1HB PRO 32 1HB PRO 32 9.822 2.050 8.081
249 2HB PRO 32 2HB PRO 32 9.290 3.616 7.429
250 1HG PRO 32 1HG PRO 32 7.993 2.481 9.528
251 2HG PRO 32 2HG PRO 32 7.076 3.297 8.227
252 1HD PRO 32 1HD PRO 32 7.573 0.290 8.524
253 2HD PRO 32 2HD PRO 32 6.066 1.157 8.188
254 H ILE 33 H ILE 33 9.629 1.950 3.906
255 HA ILE 33 HA ILE 33 11.727 -0.076 4.395
256 HB ILE 33 HB ILE 33 11.581 -0.064 1.839
257 1HG1 ILE 33 1HG1 ILE 33 9.452 0.170 0.801
258 2HG1 ILE 33 2HG1 ILE 33 8.924 1.030 2.194
259 1HG2 ILE 33 3HG2 ILE 33 10.985 -1.926 3.287
260 2HG2 ILE 33 1HG2 ILE 33 9.346 -1.249 3.489
261 3HG2 ILE 33 2HG2 ILE 33 9.895 -1.844 1.898
262 1HD1 ILE 33 1HD1 ILE 33 11.300 1.771 0.410
263 2HD1 ILE 33 2HD1 ILE 33 9.736 2.567 0.353
264 3HD1 ILE 33 3HD1 ILE 33 10.734 2.717 1.801
265 H ASP 34 H ASP 34 11.796 2.823 5.090
266 HA ASP 34 HA ASP 34 13.477 3.961 3.024
267 1HB ASP 34 1HB ASP 34 11.715 5.153 4.502
268 2HB ASP 34 2HB ASP 34 12.953 5.222 5.734
269 H GLY 35 H GLY 35 13.997 3.686 6.557
270 1HA GLY 35 1HA GLY 35 16.877 3.226 6.359
271 2HA GLY 35 2HA GLY 35 15.880 3.276 7.810
272 H ASN 36 H ASN 36 14.940 1.277 5.098
273 HA ASN 36 HA ASN 36 15.878 -1.269 6.223
274 1HB ASN 36 1HB ASN 36 13.965 -1.192 7.570
275 2HB ASN 36 2HB ASN 36 13.048 -0.254 6.399
276 1HD2 ASN 36 2HD2 ASN 36 11.359 -3.027 5.249
277 2HD2 ASN 36 1HD2 ASN 36 11.299 -1.463 6.013
278 H ALA 37 H ALA 37 17.062 -1.143 4.194
279 HA ALA 37 HA ALA 37 15.549 -1.172 1.703
280 1HB ALA 37 3HB ALA 37 18.447 -1.822 2.336
281 2HB ALA 37 1HB ALA 37 17.741 -1.744 0.708
282 3HB ALA 37 2HB ALA 37 17.799 -0.289 1.720
283 H ALA 38 H ALA 38 16.161 -3.487 4.193
284 HA ALA 38 HA ALA 38 16.406 -5.857 2.648
285 1HB ALA 38 3HB ALA 38 15.319 -5.478 5.475
286 2HB ALA 38 1HB ALA 38 15.750 -7.025 4.726
287 3HB ALA 38 2HB ALA 38 17.004 -5.810 5.014
288 H LYS 39 H LYS 39 13.465 -4.710 4.414
289 HA LYS 39 HA LYS 39 11.792 -6.492 2.897
290 1HB LYS 39 1HB LYS 39 11.400 -5.130 5.211
291 2HB LYS 39 2HB LYS 39 10.496 -4.092 4.090
292 1HG LYS 39 1HG LYS 39 9.321 -6.211 3.275
293 2HG LYS 39 2HG LYS 39 10.086 -7.063 4.615
294 1HD LYS 39 1HD LYS 39 8.153 -4.706 4.802
295 2HD LYS 39 2HD LYS 39 7.781 -6.378 5.190
296 1HE LYS 39 1HE LYS 39 9.708 -4.542 6.664
297 2HE LYS 39 2HE LYS 39 8.101 -5.035 7.206
298 1HZ LYS 39 3HZ LYS 39 10.420 -6.855 6.882
299 2HZ LYS 39 1HZ LYS 39 9.850 -6.272 8.276
300 3HZ LYS 39 2HZ LYS 39 8.914 -7.289 7.461
301 H ARG 40 H ARG 40 13.145 -3.418 2.119
302 HA ARG 40 HA ARG 40 11.240 -2.585 0.123
303 1HB ARG 40 1HB ARG 40 13.247 -1.331 1.288
304 2HB ARG 40 2HB ARG 40 14.231 -2.014 0.018
305 1HG ARG 40 1HG ARG 40 11.711 -0.452 -0.587
306 2HG ARG 40 2HG ARG 40 13.194 0.368 -0.160
307 1HD ARG 40 1HD ARG 40 12.685 -1.369 -2.597
308 2HD ARG 40 2HD ARG 40 12.995 0.354 -2.565
309 HE ARG 40 HE ARG 40 14.898 -1.538 -3.025
310 1HH1 ARG 40 2HH2 ARG 40 14.834 1.358 -1.041
311 2HH1 ARG 40 1HH2 ARG 40 16.458 1.220 -0.492
312 1HH2 ARG 40 2HH1 ARG 40 17.074 -1.584 -2.622
313 2HH2 ARG 40 1HH1 ARG 40 17.842 -0.440 -1.578
314 H GLU 41 H GLU 41 14.297 -4.500 -0.006
315 HA GLU 41 HA GLU 41 14.023 -5.144 -2.800
316 1HB GLU 41 1HB GLU 41 15.648 -6.259 -0.498
317 2HB GLU 41 2HB GLU 41 15.736 -6.926 -2.141
318 1HG GLU 41 1HG GLU 41 16.499 -4.845 -3.060
319 2HG GLU 41 2HG GLU 41 16.165 -3.960 -1.574
320 H GLU 42 H GLU 42 12.923 -6.714 0.228
321 HA GLU 42 HA GLU 42 11.944 -9.125 -0.901
322 1HB GLU 42 1HB GLU 42 12.027 -8.521 1.567
323 2HB GLU 42 2HB GLU 42 10.647 -7.464 1.287
324 1HG GLU 42 1HG GLU 42 9.513 -9.267 1.999
325 2HG GLU 42 2HG GLU 42 9.524 -9.678 0.291
326 H MET 43 H MET 43 10.271 -5.949 -0.469
327 HA MET 43 HA MET 43 7.924 -6.619 -1.939
328 1HB MET 43 1HB MET 43 8.065 -4.616 -0.468
329 2HB MET 43 2HB MET 43 9.422 -3.994 -1.384
330 1HG MET 43 1HG MET 43 7.826 -3.784 -3.391
331 2HG MET 43 2HG MET 43 6.528 -4.088 -2.245
332 1HE MET 43 3HE MET 43 9.162 -1.699 -3.714
333 2HE MET 43 1HE MET 43 9.229 -0.335 -2.580
334 3HE MET 43 2HE MET 43 9.931 -1.902 -2.127
335 H ILE 44 H ILE 44 11.049 -5.237 -3.187
336 HA ILE 44 HA ILE 44 10.112 -4.914 -5.842
337 HB ILE 44 HB ILE 44 12.832 -5.515 -4.665
338 1HG1 ILE 44 1HG1 ILE 44 11.802 -3.125 -6.231
339 2HG1 ILE 44 2HG1 ILE 44 11.556 -3.250 -4.494
340 1HG2 ILE 44 3HG2 ILE 44 12.250 -5.100 -7.629
341 2HG2 ILE 44 1HG2 ILE 44 13.862 -5.100 -6.882
342 3HG2 ILE 44 2HG2 ILE 44 12.910 -6.572 -6.879
343 1HD1 ILE 44 1HD1 ILE 44 14.004 -3.317 -4.134
344 2HD1 ILE 44 2HD1 ILE 44 14.254 -3.125 -5.885
345 3HD1 ILE 44 3HD1 ILE 44 13.461 -1.844 -4.961
346 H LYS 45 H LYS 45 11.430 -7.841 -4.257
347 HA LYS 45 HA LYS 45 11.027 -9.569 -6.500
348 1HB LYS 45 1HB LYS 45 11.019 -10.277 -3.537
349 2HB LYS 45 2HB LYS 45 11.184 -11.417 -4.865
350 1HG LYS 45 1HG LYS 45 13.335 -10.589 -5.476
351 2HG LYS 45 2HG LYS 45 13.140 -9.110 -4.568
352 1HD LYS 45 1HD LYS 45 12.974 -10.773 -2.479
353 2HD LYS 45 2HD LYS 45 13.874 -11.844 -3.580
354 1HE LYS 45 1HE LYS 45 15.493 -9.908 -3.948
355 2HE LYS 45 2HE LYS 45 14.602 -9.001 -2.724
356 1HZ LYS 45 1HZ LYS 45 15.152 -10.826 -1.164
357 2HZ LYS 45 2HZ LYS 45 16.115 -11.504 -2.311
358 3HZ LYS 45 3HZ LYS 45 16.475 -10.013 -1.708
359 H ARG 46 H ARG 46 8.879 -9.121 -3.580
360 HA ARG 46 HA ARG 46 7.026 -10.856 -4.814
361 1HB ARG 46 1HB ARG 46 5.420 -10.449 -3.073
362 2HB ARG 46 2HB ARG 46 7.023 -10.919 -2.523
363 1HG ARG 46 1HG ARG 46 7.516 -8.713 -1.750
364 2HG ARG 46 2HG ARG 46 6.099 -8.023 -2.561
365 1HD ARG 46 1HD ARG 46 5.737 -8.230 -0.178
366 2HD ARG 46 2HD ARG 46 4.621 -9.303 -1.044
367 HE ARG 46 HE ARG 46 6.807 -10.897 -0.409
368 1HH1 ARG 46 2HH2 ARG 46 4.567 -8.872 1.465
369 2HH1 ARG 46 1HH2 ARG 46 4.819 -9.701 2.960
370 1HH2 ARG 46 2HH1 ARG 46 7.065 -12.076 1.491
371 2HH2 ARG 46 1HH1 ARG 46 6.167 -11.702 2.917
372 H SER 47 H SER 47 7.219 -7.412 -5.142
373 HA SER 47 HA SER 47 4.431 -7.238 -6.096
374 1HB SER 47 1HB SER 47 4.703 -4.873 -5.866
375 2HB SER 47 2HB SER 47 5.338 -5.637 -4.406
376 HG SER 47 HG SER 47 7.407 -5.311 -5.196
377 H GLY 48 H GLY 48 7.659 -7.358 -7.521
378 1HA GLY 48 1HA GLY 48 8.339 -7.071 -9.702
379 2HA GLY 48 2HA GLY 48 6.643 -7.044 -10.189
380 H ARG 49 H ARG 49 7.423 -4.676 -7.751
381 HA ARG 49 HA ARG 49 7.903 -2.536 -9.743
382 1HB ARG 49 1HB ARG 49 5.697 -2.748 -7.686
383 2HB ARG 49 2HB ARG 49 6.339 -1.161 -8.124
384 1HG ARG 49 1HG ARG 49 5.816 -1.577 -10.468
385 2HG ARG 49 2HG ARG 49 5.066 -3.150 -10.038
386 1HD ARG 49 1HD ARG 49 3.878 -1.303 -8.280
387 2HD ARG 49 2HD ARG 49 4.104 -0.364 -9.756
388 HE ARG 49 HE ARG 49 2.843 -2.975 -10.200
389 1HH1 ARG 49 2HH2 ARG 49 2.267 0.427 -9.363
390 2HH1 ARG 49 1HH2 ARG 49 0.574 0.369 -9.778
391 1HH2 ARG 49 2HH1 ARG 49 0.625 -3.079 -10.602
392 2HH2 ARG 49 1HH1 ARG 49 -0.393 -1.653 -10.489
393 H THR 50 H THR 50 8.794 -0.624 -8.725
394 HA THR 50 HA THR 50 10.530 -1.449 -6.432
395 HB THR 50 HB THR 50 10.863 0.176 -8.915
396 HG1 THR 50 HG1 THR 50 11.486 -1.882 -9.078
397 1HG2 THR 50 1HG2 THR 50 12.704 0.247 -6.483
398 2HG2 THR 50 2HG2 THR 50 13.135 0.831 -8.101
399 3HG2 THR 50 3HG2 THR 50 11.859 1.639 -7.201
400 H THR 51 H THR 51 8.281 1.129 -7.549
401 HA THR 51 HA THR 51 9.374 2.855 -5.403
402 HB THR 51 HB THR 51 7.762 4.530 -6.493
403 HG1 THR 51 HG1 THR 51 8.009 3.075 -8.839
404 1HG2 THR 51 3HG2 THR 51 10.255 4.467 -6.746
405 2HG2 THR 51 1HG2 THR 51 10.063 3.433 -8.168
406 3HG2 THR 51 2HG2 THR 51 9.390 5.086 -8.141
407 H VAL 52 H VAL 52 8.169 3.918 -3.856
408 HA VAL 52 HA VAL 52 5.786 2.481 -2.924
409 HB VAL 52 HB VAL 52 6.231 4.053 -0.871
410 1HG1 VAL 52 3HG1 VAL 52 6.558 1.578 -1.038
411 2HG1 VAL 52 1HG1 VAL 52 8.249 1.894 -1.505
412 3HG1 VAL 52 2HG1 VAL 52 7.626 2.410 0.088
413 1HG2 VAL 52 2HG2 VAL 52 7.869 5.532 -1.951
414 2HG2 VAL 52 3HG2 VAL 52 8.446 4.766 -0.465
415 3HG2 VAL 52 1HG2 VAL 52 9.025 4.176 -2.025
416 HA PRO 53 HA PRO 53 4.396 3.188 -1.109
417 1HB PRO 53 1HB PRO 53 1.759 3.381 -0.759
418 2HB PRO 53 2HB PRO 53 2.842 4.719 -0.243
419 1HG PRO 53 1HG PRO 53 1.289 4.436 -2.823
420 2HG PRO 53 2HG PRO 53 1.339 5.867 -1.742
421 1HD PRO 53 1HD PRO 53 2.904 5.592 -3.987
422 2HD PRO 53 2HD PRO 53 3.446 6.521 -2.552
423 H GLN 54 H GLN 54 3.342 1.088 -1.065
424 HA GLN 54 HA GLN 54 1.933 0.234 -3.483
425 1HB GLN 54 1HB GLN 54 4.230 -1.390 -2.274
426 2HB GLN 54 2HB GLN 54 3.079 -1.934 -3.495
427 1HG GLN 54 1HG GLN 54 3.978 0.188 -4.840
428 2HG GLN 54 2HG GLN 54 5.367 -0.005 -3.745
429 1HE2 GLN 54 2HE2 GLN 54 6.606 -2.811 -5.575
430 2HE2 GLN 54 1HE2 GLN 54 6.926 -1.488 -4.472
431 H ILE 55 H ILE 55 0.314 -1.516 -2.870
432 HA ILE 55 HA ILE 55 0.160 -1.783 0.052
433 HB ILE 55 HB ILE 55 -2.043 -0.989 -1.897
434 1HG1 ILE 55 1HG1 ILE 55 -1.981 0.883 0.150
435 2HG1 ILE 55 2HG1 ILE 55 -0.308 0.462 0.077
436 1HG2 ILE 55 1HG2 ILE 55 -2.177 -1.553 1.104
437 2HG2 ILE 55 2HG2 ILE 55 -3.494 -0.903 0.124
438 3HG2 ILE 55 3HG2 ILE 55 -2.918 -2.540 -0.171
439 1HD1 ILE 55 1HD1 ILE 55 -0.285 1.104 -2.377
440 2HD1 ILE 55 2HD1 ILE 55 -1.972 1.600 -2.195
441 3HD1 ILE 55 3HD1 ILE 55 -0.709 2.422 -1.276
442 H PHE 56 H PHE 56 -0.707 -3.664 0.715
443 HA PHE 56 HA PHE 56 -1.118 -5.832 -1.234
444 1HB PHE 56 1HB PHE 56 0.830 -5.719 1.102
445 2HB PHE 56 2HB PHE 56 0.034 -7.234 0.683
446 HD1 PHE 56 HD1 PHE 56 2.150 -4.515 -0.846
447 HD2 PHE 56 HD2 PHE 56 0.823 -8.620 -1.044
448 HE1 PHE 56 HE1 PHE 56 3.813 -4.976 -2.620
449 HE2 PHE 56 HE2 PHE 56 2.516 -9.078 -2.785
450 HZ PHE 56 HZ PHE 56 4.000 -7.275 -3.585
451 H ILE 57 H ILE 57 -2.718 -7.241 -0.526
452 HA ILE 57 HA ILE 57 -3.977 -6.746 2.122
453 HB ILE 57 HB ILE 57 -5.449 -6.791 -0.549
454 1HG1 ILE 57 1HG1 ILE 57 -5.019 -4.704 1.628
455 2HG1 ILE 57 2HG1 ILE 57 -4.456 -4.608 -0.021
456 1HG2 ILE 57 3HG2 ILE 57 -6.677 -8.110 1.151
457 2HG2 ILE 57 1HG2 ILE 57 -6.589 -6.752 2.288
458 3HG2 ILE 57 2HG2 ILE 57 -7.523 -6.622 0.776
459 1HD1 ILE 57 3HD1 ILE 57 -6.849 -4.465 -0.789
460 2HD1 ILE 57 1HD1 ILE 57 -7.318 -4.352 0.927
461 3HD1 ILE 57 2HD1 ILE 57 -6.272 -3.115 0.215
462 H ASP 58 H ASP 58 -3.487 -8.568 3.067
463 HA ASP 58 HA ASP 58 -3.312 -10.803 3.546
464 1HB ASP 58 1HB ASP 58 -5.709 -10.886 1.697
465 2HB ASP 58 2HB ASP 58 -5.250 -12.151 2.842
466 H ALA 59 H ALA 59 -1.657 -9.924 1.544
467 HA ALA 59 HA ALA 59 0.171 -10.794 0.520
468 1HB ALA 59 2HB ALA 59 -0.326 -13.097 1.398
469 2HB ALA 59 3HB ALA 59 -1.280 -13.393 -0.074
470 3HB ALA 59 1HB ALA 59 0.449 -13.067 -0.198
471 H GLN 60 H GLN 60 -2.910 -10.336 -0.873
472 HA GLN 60 HA GLN 60 -2.074 -10.649 -3.665
473 1HB GLN 60 1HB GLN 60 -4.459 -9.250 -2.367
474 2HB GLN 60 2HB GLN 60 -4.145 -9.287 -4.092
475 1HG GLN 60 1HG GLN 60 -5.825 -10.958 -3.408
476 2HG GLN 60 2HG GLN 60 -4.432 -11.641 -4.242
477 1HE2 GLN 60 2HE2 GLN 60 -4.719 -12.407 -0.191
478 2HE2 GLN 60 1HE2 GLN 60 -5.418 -10.923 -0.790
479 H HIS 61 H HIS 61 -1.078 -9.080 -4.843
480 HA HIS 61 HA HIS 61 -0.140 -6.625 -3.482
481 1HB HIS 61 1HB HIS 61 1.505 -7.980 -4.780
482 2HB HIS 61 2HB HIS 61 0.439 -7.992 -6.156
483 HD1 HIS 61 HD1 HIS 61 2.016 -6.845 -7.818
484 HD2 HIS 61 HD2 HIS 61 1.418 -4.732 -4.192
485 HE1 HIS 61 HE1 HIS 61 3.056 -4.522 -8.140
486 HE2 HIS 61 HE2 HIS 61 2.771 -3.264 -5.933
487 H ILE 62 H ILE 62 -1.353 -4.702 -3.806
488 HA ILE 62 HA ILE 62 -3.522 -4.797 -5.756
489 HB ILE 62 HB ILE 62 -2.558 -2.356 -4.238
490 1HG1 ILE 62 1HG1 ILE 62 -2.773 -3.672 -2.413
491 2HG1 ILE 62 2HG1 ILE 62 -4.363 -2.958 -2.531
492 1HG2 ILE 62 1HG2 ILE 62 -5.262 -3.258 -5.336
493 2HG2 ILE 62 2HG2 ILE 62 -4.993 -1.776 -4.413
494 3HG2 ILE 62 3HG2 ILE 62 -4.235 -1.971 -5.995
495 1HD1 ILE 62 3HD1 ILE 62 -5.028 -5.125 -3.877
496 2HD1 ILE 62 1HD1 ILE 62 -3.639 -5.837 -3.035
497 3HD1 ILE 62 2HD1 ILE 62 -4.977 -5.146 -2.122
498 H GLY 63 H GLY 63 -0.541 -2.879 -5.250
499 1HA GLY 63 1HA GLY 63 0.739 -2.565 -7.534
500 2HA GLY 63 2HA GLY 63 -0.762 -1.686 -7.888
501 H GLY 64 H GLY 64 0.046 0.407 -7.750
502 1HA GLY 64 1HA GLY 64 1.438 1.339 -5.343
503 2HA GLY 64 2HA GLY 64 1.224 2.198 -6.873
504 H TYR 65 H TYR 65 0.384 3.983 -5.940
505 HA TYR 65 HA TYR 65 -1.770 4.015 -3.966
506 1HB TYR 65 1HB TYR 65 0.048 5.726 -3.971
507 2HB TYR 65 2HB TYR 65 -0.362 6.166 -5.610
508 HD1 TYR 65 HD2 TYR 65 -3.224 5.581 -3.298
509 HD2 TYR 65 HD1 TYR 65 -0.369 8.472 -4.773
510 HE1 TYR 65 HE2 TYR 65 -4.624 7.378 -2.494
511 HE2 TYR 65 HE1 TYR 65 -1.811 10.292 -3.974
512 HH TYR 65 HH TYR 65 -5.052 9.713 -2.675
513 H ASP 66 H ASP 66 -1.433 5.232 -7.362
514 HA ASP 66 HA ASP 66 -4.206 5.834 -7.562
515 1HB ASP 66 1HB ASP 66 -2.039 5.416 -9.632
516 2HB ASP 66 2HB ASP 66 -3.726 5.691 -10.094
517 H ASP 67 H ASP 67 -2.387 2.848 -8.101
518 HA ASP 67 HA ASP 67 -4.459 1.269 -9.257
519 1HB ASP 67 1HB ASP 67 -2.371 0.352 -7.226
520 2HB ASP 67 2HB ASP 67 -3.408 -0.695 -8.174
521 H LEU 68 H LEU 68 -3.541 1.833 -5.760
522 HA LEU 68 HA LEU 68 -5.662 0.231 -4.777
523 1HB LEU 68 1HB LEU 68 -3.610 0.847 -3.503
524 2HB LEU 68 2HB LEU 68 -4.167 2.524 -3.450
525 HG LEU 68 HG LEU 68 -6.335 1.584 -2.319
526 1HD1 LEU 68 1HD1 LEU 68 -4.450 -0.791 -2.138
527 2HD1 LEU 68 2HD1 LEU 68 -5.767 -0.561 -0.992
528 3HD1 LEU 68 3HD1 LEU 68 -6.140 -0.771 -2.704
529 1HD2 LEU 68 2HD2 LEU 68 -4.480 2.869 -1.200
530 2HD2 LEU 68 3HD2 LEU 68 -5.518 1.832 -0.214
531 3HD2 LEU 68 1HD2 LEU 68 -3.887 1.291 -0.649
532 H TYR 69 H TYR 69 -5.429 3.757 -5.227
533 HA TYR 69 HA TYR 69 -7.946 4.470 -4.111
534 1HB TYR 69 1HB TYR 69 -6.301 6.168 -4.855
535 2HB TYR 69 2HB TYR 69 -6.489 5.674 -6.519
536 HD1 TYR 69 HD2 TYR 69 -9.147 6.262 -3.891
537 HD2 TYR 69 HD1 TYR 69 -7.506 7.467 -7.697
538 HE1 TYR 69 HE2 TYR 69 -11.160 7.584 -4.314
539 HE2 TYR 69 HE1 TYR 69 -9.547 8.809 -8.127
540 HH TYR 69 HH TYR 69 -12.323 8.896 -5.848
541 H ALA 70 H ALA 70 -7.125 3.547 -7.457
542 HA ALA 70 HA ALA 70 -9.848 3.775 -8.399
543 1HB ALA 70 2HB ALA 70 -7.912 3.869 -9.949
544 2HB ALA 70 3HB ALA 70 -7.505 2.185 -9.556
545 3HB ALA 70 1HB ALA 70 -9.021 2.558 -10.401
546 H LEU 71 H LEU 71 -7.926 1.120 -7.121
547 HA LEU 71 HA LEU 71 -9.854 -0.936 -7.565
548 1HB LEU 71 1HB LEU 71 -7.338 -1.119 -6.953
549 2HB LEU 71 2HB LEU 71 -7.860 -0.982 -5.285
550 HG LEU 71 HG LEU 71 -7.476 -3.244 -5.941
551 1HD1 LEU 71 3HD1 LEU 71 -9.212 -2.938 -4.333
552 2HD1 LEU 71 1HD1 LEU 71 -10.407 -3.066 -5.666
553 3HD1 LEU 71 2HD1 LEU 71 -9.367 -4.433 -5.280
554 1HD2 LEU 71 1HD2 LEU 71 -7.936 -3.019 -8.386
555 2HD2 LEU 71 2HD2 LEU 71 -8.650 -4.466 -7.656
556 3HD2 LEU 71 3HD2 LEU 71 -9.678 -3.069 -8.020
557 H ASP 72 H ASP 72 -9.280 1.309 -4.816
558 HA ASP 72 HA ASP 72 -11.354 0.189 -3.154
559 1HB ASP 72 1HB ASP 72 -9.579 1.749 -2.302
560 2HB ASP 72 2HB ASP 72 -10.388 3.071 -3.147
561 H ALA 73 H ALA 73 -11.286 3.044 -5.274
562 HA ALA 73 HA ALA 73 -14.026 3.642 -4.955
563 1HB ALA 73 2HB ALA 73 -12.320 5.290 -5.620
564 2HB ALA 73 3HB ALA 73 -12.103 4.458 -7.171
565 3HB ALA 73 1HB ALA 73 -13.646 5.261 -6.795
566 H ARG 74 H ARG 74 -12.731 1.124 -6.964
567 HA ARG 74 HA ARG 74 -15.197 0.954 -8.539
568 1HB ARG 74 1HB ARG 74 -14.192 -0.806 -9.611
569 2HB ARG 74 2HB ARG 74 -12.860 0.268 -9.283
570 1HG ARG 74 1HG ARG 74 -11.738 -1.348 -8.253
571 2HG ARG 74 2HG ARG 74 -12.997 -1.621 -7.096
572 1HD ARG 74 1HD ARG 74 -13.250 -2.864 -9.840
573 2HD ARG 74 2HD ARG 74 -12.139 -3.533 -8.641
574 HE ARG 74 HE ARG 74 -14.873 -3.088 -7.670
575 1HH1 ARG 74 2HH2 ARG 74 -12.935 -5.381 -9.505
576 2HH1 ARG 74 1HH2 ARG 74 -13.565 -6.796 -8.695
577 1HH2 ARG 74 2HH1 ARG 74 -15.624 -4.939 -6.471
578 2HH2 ARG 74 1HH1 ARG 74 -15.345 -6.525 -7.092
579 H GLY 75 H GLY 75 -14.308 0.161 -5.379
580 1HA GLY 75 1HA GLY 75 -15.328 -0.990 -3.718
581 2HA GLY 75 2HA GLY 75 -16.561 -1.572 -4.850
582 H GLY 76 H GLY 76 -12.823 -1.996 -4.871
583 1HA GLY 76 1HA GLY 76 -13.408 -4.910 -4.508
584 2HA GLY 76 2HA GLY 76 -12.108 -4.273 -5.498
585 H LEU 77 H LEU 77 -11.551 -2.047 -3.419
586 HA LEU 77 HA LEU 77 -9.865 -3.600 -1.615
587 1HB LEU 77 1HB LEU 77 -9.431 -1.191 -2.473
588 2HB LEU 77 2HB LEU 77 -10.602 -0.660 -1.271
589 HG LEU 77 HG LEU 77 -7.915 -1.956 -0.846
590 1HD1 LEU 77 1HD1 LEU 77 -8.033 0.490 -1.228
591 2HD1 LEU 77 2HD1 LEU 77 -9.114 0.654 0.158
592 3HD1 LEU 77 3HD1 LEU 77 -7.450 0.112 0.407
593 1HD2 LEU 77 2HD2 LEU 77 -9.980 -1.433 1.337
594 2HD2 LEU 77 3HD2 LEU 77 -9.255 -3.002 0.900
595 3HD2 LEU 77 1HD2 LEU 77 -8.253 -1.763 1.616
596 H ASP 78 H ASP 78 -12.690 -1.456 -1.219
597 HA ASP 78 HA ASP 78 -12.963 -1.735 1.512
598 1HB ASP 78 1HB ASP 78 -14.089 -0.093 -0.043
599 2HB ASP 78 2HB ASP 78 -15.331 -1.308 -0.332
600 HA PRO 79 HA PRO 79 -15.849 -5.467 1.294
601 1HB PRO 79 1HB PRO 79 -16.070 -7.062 -0.871
602 2HB PRO 79 2HB PRO 79 -17.078 -5.600 -0.647
603 1HG PRO 79 1HG PRO 79 -14.513 -5.861 -2.259
604 2HG PRO 79 2HG PRO 79 -16.080 -5.153 -2.777
605 1HD PRO 79 1HD PRO 79 -14.083 -3.593 -1.864
606 2HD PRO 79 2HD PRO 79 -15.776 -3.245 -1.416
607 H LEU 80 H LEU 80 -12.576 -5.479 0.130
608 HA LEU 80 HA LEU 80 -12.176 -8.257 1.131
609 1HB LEU 80 1HB LEU 80 -10.340 -6.261 -0.219
610 2HB LEU 80 2HB LEU 80 -9.718 -7.673 0.628
611 HG LEU 80 HG LEU 80 -11.741 -7.871 -1.641
612 1HD1 LEU 80 3HD1 LEU 80 -9.641 -6.900 -2.445
613 2HD1 LEU 80 1HD1 LEU 80 -8.710 -8.221 -1.710
614 3HD1 LEU 80 2HD1 LEU 80 -9.837 -8.546 -3.050
615 1HD2 LEU 80 2HD2 LEU 80 -9.959 -9.966 -0.299
616 2HD2 LEU 80 3HD2 LEU 80 -11.725 -9.875 -0.186
617 3HD2 LEU 80 1HD2 LEU 80 -10.967 -10.242 -1.735
618 H LEU 81 H LEU 81 -12.418 -5.087 2.349
619 HA LEU 81 HA LEU 81 -10.711 -5.576 4.673
620 1HB LEU 81 1HB LEU 81 -11.160 -3.339 3.352
621 2HB LEU 81 2HB LEU 81 -12.623 -3.240 4.298
622 HG LEU 81 HG LEU 81 -10.621 -1.928 5.039
623 1HD1 LEU 81 1HD1 LEU 81 -12.461 -2.340 6.590
624 2HD1 LEU 81 2HD1 LEU 81 -11.599 -3.749 7.232
625 3HD1 LEU 81 3HD1 LEU 81 -10.888 -2.141 7.397
626 1HD2 LEU 81 2HD2 LEU 81 -8.944 -3.767 4.652
627 2HD2 LEU 81 3HD2 LEU 81 -8.774 -2.918 6.209
628 3HD2 LEU 81 1HD2 LEU 81 -9.508 -4.520 6.161
629 H LYS 82 H LYS 82 -12.668 -7.497 4.216
630 HA LYS 82 HA LYS 82 -14.956 -7.169 5.936
631 1HB LYS 82 1HB LYS 82 -14.177 -9.034 4.048
632 2HB LYS 82 2HB LYS 82 -13.891 -9.945 5.519
633 1HG LYS 82 1HG LYS 82 -16.529 -8.486 5.099
634 2HG LYS 82 2HG LYS 82 -16.204 -9.966 4.225
635 1HD LYS 82 1HD LYS 82 -17.504 -10.499 6.150
636 2HD LYS 82 2HD LYS 82 -15.886 -11.179 6.391
637 1HE LYS 82 1HE LYS 82 -15.308 -9.543 7.978
638 2HE LYS 82 2HE LYS 82 -16.541 -8.409 7.417
639 1HZ LYS 82 3HZ LYS 82 -17.181 -10.921 8.820
640 2HZ LYS 82 1HZ LYS 82 -17.038 -9.445 9.536
641 3HZ LYS 82 2HZ LYS 82 -18.224 -9.703 8.424
642 1HB2 GTT 83 1HB2 GTT 83 8.805 7.326 -2.507
643 2HB2 GTT 83 2HB2 GTT 83 9.983 8.607 -2.826
644 HA2 GTT 83 HA2 GTT 83 9.828 8.311 -5.172
645 HN2 GTT 83 HN2 GTT 83 7.159 7.146 -4.585
646 1HG1 GTT 83 1HG1 GTT 83 5.613 7.796 -6.385
647 2HG1 GTT 83 2HG1 GTT 83 6.030 6.127 -6.725
648 1HB1 GTT 83 1HB1 GTT 83 6.957 7.254 -9.025
649 2HB1 GTT 83 2HB1 GTT 83 5.834 8.518 -8.559
650 HA1 GTT 83 HA1 GTT 83 3.987 6.815 -8.546
651 1HN1 GTT 83 1HN1 GTT 83 5.230 4.796 -8.167
652 2HN1 GTT 83 2HN1 GTT 83 4.499 4.749 -9.645
653 3HN1 GTT 83 3HN1 GTT 83 6.104 5.070 -9.574
654 HN3 GTT 83 HN3 GTT 83 11.793 6.992 -4.519
655 1HA3 GTT 83 1HA3 GTT 83 12.332 4.785 -3.295
656 2HA3 GTT 83 2HA3 GTT 83 11.261 4.045 -4.486
No H/Q in entry = 656