Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
646750 | 6y8w RC | 34495 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY -3 H1 GLY -3 13.921 -4.228 4.498
2 H2 GLY -3 H2 GLY -3 13.082 -5.339 5.362
3 H3 GLY -3 H3 GLY -3 14.169 -4.367 6.117
4 HA2 GLY -3 HA2 GLY -3 11.950 -3.594 6.604
5 HA3 GLY -3 HA3 GLY -3 12.858 -2.415 5.628
6 HA PRO -2 HA PRO -2 8.842 -2.872 3.416
7 HB2 PRO -2 HB2 PRO -2 9.769 -0.145 2.534
8 HB3 PRO -2 HB3 PRO -2 8.120 -0.672 2.983
9 HG2 PRO -2 HG2 PRO -2 9.585 0.746 4.739
10 HG3 PRO -2 HG3 PRO -2 8.687 -0.701 5.312
11 HD2 PRO -2 HD2 PRO -2 11.631 -0.490 4.599
12 HD3 PRO -2 HD3 PRO -2 10.863 -1.227 6.034
13 H GLY -1 H GLY -1 8.299 -2.886 1.127
14 HA2 GLY -1 HA2 GLY -1 10.263 -4.129 -0.527
15 HA3 GLY -1 HA3 GLY -1 8.641 -3.639 -1.012
16 H SER 0 H SER 0 9.777 -0.774 -0.094
17 HA SER 0 HA SER 0 11.583 -0.101 -2.310
18 HB2 SER 0 HB2 SER 0 9.241 -0.047 -3.267
19 HB3 SER 0 HB3 SER 0 8.858 1.235 -2.112
20 HG SER 0 HG SER 0 10.684 1.258 -4.309
21 H MET 1 H MET 1 11.651 2.581 -2.190
22 HA MET 1 HA MET 1 11.773 3.435 0.636
23 HB2 MET 1 HB2 MET 1 14.079 4.133 0.534
24 HB3 MET 1 HB3 MET 1 13.938 2.401 0.233
25 HG2 MET 1 HG2 MET 1 14.088 2.886 -2.237
26 HG3 MET 1 HG3 MET 1 14.461 4.562 -1.833
27 HE1 MET 1 HE1 MET 1 16.380 4.251 0.763
28 HE2 MET 1 HE2 MET 1 17.944 4.294 -0.082
29 HE3 MET 1 HE3 MET 1 16.605 5.351 -0.614
30 H CYS 2 H CYS 2 11.459 5.498 1.011
31 HA CYS 2 HA CYS 2 11.481 7.560 -1.097
32 HB2 CYS 2 HB2 CYS 2 9.051 6.856 0.622
33 HB3 CYS 2 HB3 CYS 2 9.219 8.348 -0.306
34 HG CYS 2 HG CYS 2 9.179 5.226 -1.407
35 H MET 3 H MET 3 11.458 9.710 -0.219
36 HA MET 3 HA MET 3 12.639 10.098 2.426
37 HB2 MET 3 HB2 MET 3 11.494 12.090 0.420
38 HB3 MET 3 HB3 MET 3 12.284 12.511 1.930
39 HG2 MET 3 HG2 MET 3 13.921 12.801 0.300
40 HG3 MET 3 HG3 MET 3 14.351 11.343 1.167
41 HE1 MET 3 HE1 MET 3 11.603 11.676 -1.804
42 HE2 MET 3 HE2 MET 3 12.864 12.916 -2.035
43 HE3 MET 3 HE3 MET 3 12.724 11.547 -3.173
44 H ALA 4 H ALA 4 11.578 11.782 3.911
45 HA ALA 4 HA ALA 4 9.108 10.711 4.903
46 HB1 ALA 4 HB1 ALA 4 10.896 11.638 6.317
47 HB2 ALA 4 HB2 ALA 4 10.603 13.259 5.629
48 HB3 ALA 4 HB3 ALA 4 9.372 12.473 6.609
49 H LYS 5 H LYS 5 7.308 12.152 5.570
50 HA LYS 5 HA LYS 5 6.605 14.353 3.687
51 HB2 LYS 5 HB2 LYS 5 4.289 13.576 3.530
52 HB3 LYS 5 HB3 LYS 5 5.420 12.445 2.799
53 HG2 LYS 5 HG2 LYS 5 5.260 10.909 4.663
54 HG3 LYS 5 HG3 LYS 5 4.294 12.040 5.611
55 HD2 LYS 5 HD2 LYS 5 3.381 10.860 2.959
56 HD3 LYS 5 HD3 LYS 5 3.004 10.171 4.549
57 HE2 LYS 5 HE2 LYS 5 1.863 12.241 5.232
58 HE3 LYS 5 HE3 LYS 5 2.298 13.016 3.709
59 HZ1 LYS 5 HZ1 LYS 5 0.955 11.288 2.573
60 HZ2 LYS 5 HZ2 LYS 5 0.474 10.694 4.020
61 HZ3 LYS 5 HZ3 LYS 5 0.075 12.223 3.577
62 H VAL 6 H VAL 6 5.415 15.995 4.521
63 HA VAL 6 HA VAL 6 5.153 16.102 7.498
64 HB VAL 6 HB VAL 6 5.450 18.317 5.456
65 HG11 VAL 6 HG11 VAL 6 5.061 18.529 8.465
66 HG12 VAL 6 HG12 VAL 6 5.576 19.861 7.413
67 HG13 VAL 6 HG13 VAL 6 3.963 19.181 7.218
68 HG21 VAL 6 HG21 VAL 6 7.543 17.110 6.072
69 HG22 VAL 6 HG22 VAL 6 7.538 18.793 6.624
70 HG23 VAL 6 HG23 VAL 6 7.225 17.485 7.771
71 H VAL 7 H VAL 7 3.256 16.656 8.475
72 HA VAL 7 HA VAL 7 0.915 17.459 6.844
73 HB VAL 7 HB VAL 7 0.647 15.077 7.085
74 HG11 VAL 7 HG11 VAL 7 0.313 13.968 9.257
75 HG12 VAL 7 HG12 VAL 7 1.948 14.607 9.126
76 HG13 VAL 7 HG13 VAL 7 0.726 15.466 10.103
77 HG21 VAL 7 HG21 VAL 7 -1.288 16.449 9.008
78 HG22 VAL 7 HG22 VAL 7 -1.373 16.570 7.237
79 HG23 VAL 7 HG23 VAL 7 -1.568 14.996 8.028
80 H LEU 8 H LEU 8 -0.437 18.897 7.752
81 HA LEU 8 HA LEU 8 -0.160 19.703 10.578
82 HB2 LEU 8 HB2 LEU 8 0.503 21.963 10.091
83 HB3 LEU 8 HB3 LEU 8 1.648 20.844 9.386
84 HG LEU 8 HG LEU 8 0.113 21.211 7.191
85 HD11 LEU 8 HD11 LEU 8 -0.438 23.666 7.014
86 HD12 LEU 8 HD12 LEU 8 -1.468 22.837 8.178
87 HD13 LEU 8 HD13 LEU 8 -0.122 23.843 8.742
88 HD21 LEU 8 HD21 LEU 8 1.735 22.875 6.445
89 HD22 LEU 8 HD22 LEU 8 2.258 23.150 8.125
90 HD23 LEU 8 HD23 LEU 8 2.532 21.579 7.327
91 H THR 9 H THR 9 -1.682 21.317 11.259
92 HA THR 9 HA THR 9 -4.131 21.591 9.567
93 HB THR 9 HB THR 9 -4.071 21.627 12.599
94 HG1 THR 9 HG1 THR 9 -3.600 19.575 11.915
95 HG21 THR 9 HG21 THR 9 -6.344 21.418 10.569
96 HG22 THR 9 HG22 THR 9 -6.526 21.285 12.334
97 HG23 THR 9 HG23 THR 9 -6.000 22.810 11.623
98 H LYS 10 H LYS 10 -4.805 23.597 9.148
99 HA LYS 10 HA LYS 10 -3.140 25.911 9.912
100 HB2 LYS 10 HB2 LYS 10 -5.610 25.647 8.128
101 HB3 LYS 10 HB3 LYS 10 -4.643 27.121 8.349
102 HG2 LYS 10 HG2 LYS 10 -2.630 25.811 7.505
103 HG3 LYS 10 HG3 LYS 10 -3.746 24.525 7.030
104 HD2 LYS 10 HD2 LYS 10 -3.907 27.436 6.112
105 HD3 LYS 10 HD3 LYS 10 -3.173 26.140 5.172
106 HE2 LYS 10 HE2 LYS 10 -5.236 25.066 4.763
107 HE3 LYS 10 HE3 LYS 10 -6.055 25.909 6.089
108 HZ1 LYS 10 HZ1 LYS 10 -6.641 26.831 3.922
109 HZ2 LYS 10 HZ2 LYS 10 -5.950 27.957 4.876
110 HZ3 LYS 10 HZ3 LYS 10 -5.101 27.282 3.633
111 H ALA 11 H ALA 11 -4.065 27.913 10.671
112 HA ALA 11 HA ALA 11 -5.954 27.772 12.839
113 HB1 ALA 11 HB1 ALA 11 -5.801 30.235 12.758
114 HB2 ALA 11 HB2 ALA 11 -4.192 29.505 12.651
115 HB3 ALA 11 HB3 ALA 11 -4.980 30.156 11.191
116 H ASP 12 H ASP 12 -6.397 28.040 9.393
117 HA ASP 12 HA ASP 12 -9.144 28.942 9.323
118 HB2 ASP 12 HB2 ASP 12 -7.588 27.191 7.380
119 HB3 ASP 12 HB3 ASP 12 -9.089 28.032 7.022
120 H GLY 13 H GLY 13 -7.854 26.012 10.497
121 HA2 GLY 13 HA2 GLY 13 -8.915 24.112 11.305
122 HA3 GLY 13 HA3 GLY 13 -10.432 24.607 10.554
123 H GLY 14 H GLY 14 -8.466 24.895 8.019
124 HA2 GLY 14 HA2 GLY 14 -8.968 22.243 6.851
125 HA3 GLY 14 HA3 GLY 14 -8.180 23.613 6.074
126 H ARG 15 H ARG 15 -7.121 21.154 5.670
127 HA ARG 15 HA ARG 15 -4.587 21.129 7.279
128 HB2 ARG 15 HB2 ARG 15 -6.321 18.785 6.414
129 HB3 ARG 15 HB3 ARG 15 -4.613 18.603 6.838
130 HG2 ARG 15 HG2 ARG 15 -5.003 19.603 9.037
131 HG3 ARG 15 HG3 ARG 15 -6.728 19.781 8.686
132 HD2 ARG 15 HD2 ARG 15 -7.044 17.403 8.602
133 HD3 ARG 15 HD3 ARG 15 -5.293 17.099 8.668
134 HE ARG 15 HE ARG 15 -5.620 18.541 10.924
135 HH11 ARG 15 HH11 ARG 15 -7.382 15.676 9.881
136 HH12 ARG 15 HH12 ARG 15 -7.719 15.202 11.529
137 HH21 ARG 15 HH21 ARG 15 -6.063 17.877 12.929
138 HH22 ARG 15 HH22 ARG 15 -6.965 16.410 13.219
139 H VAL 16 H VAL 16 -2.736 20.405 6.370
140 HA VAL 16 HA VAL 16 -2.510 20.475 3.392
141 HB VAL 16 HB VAL 16 -0.835 22.111 5.304
142 HG11 VAL 16 HG11 VAL 16 -0.646 21.858 2.287
143 HG12 VAL 16 HG12 VAL 16 0.216 23.056 3.256
144 HG13 VAL 16 HG13 VAL 16 0.578 21.352 3.474
145 HG21 VAL 16 HG21 VAL 16 -3.016 23.185 4.929
146 HG22 VAL 16 HG22 VAL 16 -1.750 24.075 4.093
147 HG23 VAL 16 HG23 VAL 16 -2.815 22.986 3.172
148 H GLU 17 H GLU 17 -0.891 19.219 2.539
149 HA GLU 17 HA GLU 17 0.932 17.754 4.367
150 HB2 GLU 17 HB2 GLU 17 -0.691 16.510 2.115
151 HB3 GLU 17 HB3 GLU 17 0.650 15.720 2.962
152 HG2 GLU 17 HG2 GLU 17 -0.566 15.877 5.089
153 HG3 GLU 17 HG3 GLU 17 -1.921 16.696 4.299
154 H ILE 18 H ILE 18 2.971 17.364 3.577
155 HA ILE 18 HA ILE 18 3.653 18.370 0.838
156 HB ILE 18 HB ILE 18 5.371 18.906 3.280
157 HG12 ILE 18 HG12 ILE 18 4.685 21.409 2.536
158 HG13 ILE 18 HG13 ILE 18 3.194 20.624 2.078
159 HG21 ILE 18 HG21 ILE 18 6.551 18.719 1.097
160 HG22 ILE 18 HG22 ILE 18 5.502 19.990 0.439
161 HG23 ILE 18 HG23 ILE 18 6.622 20.346 1.768
162 HD11 ILE 18 HD11 ILE 18 4.541 20.645 4.832
163 HD12 ILE 18 HD12 ILE 18 3.059 21.500 4.369
164 HD13 ILE 18 HD13 ILE 18 3.063 19.734 4.490
165 H GLY 19 H GLY 19 4.410 16.691 -0.279
166 HA2 GLY 19 HA2 GLY 19 5.650 14.364 1.068
167 HA3 GLY 19 HA3 GLY 19 5.141 14.463 -0.618
168 H ASP 20 H ASP 20 7.536 13.350 0.161
169 HA ASP 20 HA ASP 20 9.715 13.247 -0.315
170 HB2 ASP 20 HB2 ASP 20 9.006 15.055 -2.631
171 HB3 ASP 20 HB3 ASP 20 10.378 13.949 -2.532
172 H VAL 21 H VAL 21 9.431 14.985 1.758
173 HA VAL 21 HA VAL 21 10.861 17.462 1.282
174 HB VAL 21 HB VAL 21 10.713 17.884 3.602
175 HG11 VAL 21 HG11 VAL 21 8.265 17.813 3.907
176 HG12 VAL 21 HG12 VAL 21 8.702 18.289 2.261
177 HG13 VAL 21 HG13 VAL 21 8.111 16.647 2.598
178 HG21 VAL 21 HG21 VAL 21 11.142 15.627 4.562
179 HG22 VAL 21 HG22 VAL 21 9.754 16.448 5.264
180 HG23 VAL 21 HG23 VAL 21 9.508 15.147 4.076
181 H LEU 22 H LEU 22 12.929 17.993 1.608
182 HA LEU 22 HA LEU 22 14.938 15.860 2.138
183 HB2 LEU 22 HB2 LEU 22 15.170 18.723 1.123
184 HB3 LEU 22 HB3 LEU 22 16.533 17.640 1.406
185 HG LEU 22 HG LEU 22 14.321 17.178 -0.635
186 HD11 LEU 22 HD11 LEU 22 17.246 17.973 -0.950
187 HD12 LEU 22 HD12 LEU 22 16.117 17.613 -2.278
188 HD13 LEU 22 HD13 LEU 22 15.835 19.026 -1.243
189 HD21 LEU 22 HD21 LEU 22 16.860 15.586 -0.051
190 HD22 LEU 22 HD22 LEU 22 15.180 15.017 0.107
191 HD23 LEU 22 HD23 LEU 22 15.843 15.378 -1.485
192 H GLU 23 H GLU 23 13.548 18.768 3.583
193 HA GLU 23 HA GLU 23 14.769 18.081 6.134
194 HB2 GLU 23 HB2 GLU 23 16.582 19.320 5.072
195 HB3 GLU 23 HB3 GLU 23 15.514 20.693 4.764
196 HG2 GLU 23 HG2 GLU 23 15.322 21.146 7.141
197 HG3 GLU 23 HG3 GLU 23 16.082 19.606 7.552
198 H VAL 24 H VAL 24 13.821 19.047 7.908
199 HA VAL 24 HA VAL 24 11.717 21.118 7.552
200 HB VAL 24 HB VAL 24 11.365 18.740 9.386
201 HG11 VAL 24 HG11 VAL 24 10.170 20.718 10.144
202 HG12 VAL 24 HG12 VAL 24 9.410 20.898 8.557
203 HG13 VAL 24 HG13 VAL 24 9.031 19.494 9.567
204 HG21 VAL 24 HG21 VAL 24 10.085 19.122 6.663
205 HG22 VAL 24 HG22 VAL 24 11.196 17.831 7.153
206 HG23 VAL 24 HG23 VAL 24 9.604 17.923 7.881
207 H ARG 25 H ARG 25 11.773 22.689 9.158
208 HA ARG 25 HA ARG 25 13.545 22.312 11.558
209 HB2 ARG 25 HB2 ARG 25 13.598 24.771 9.753
210 HB3 ARG 25 HB3 ARG 25 14.528 24.518 11.228
211 HG2 ARG 25 HG2 ARG 25 15.764 22.656 10.075
212 HG3 ARG 25 HG3 ARG 25 14.851 23.011 8.599
213 HD2 ARG 25 HD2 ARG 25 15.717 25.363 8.688
214 HD3 ARG 25 HD3 ARG 25 16.727 24.907 10.080
215 HE ARG 25 HE ARG 25 17.438 23.027 8.214
216 HH11 ARG 25 HH11 ARG 25 17.606 26.520 8.207
217 HH12 ARG 25 HH12 ARG 25 18.775 26.544 6.919
218 HH21 ARG 25 HH21 ARG 25 18.686 23.136 6.415
219 HH22 ARG 25 HH22 ARG 25 19.417 24.660 5.954
220 H ALA 26 H ALA 26 12.811 23.232 13.390
221 HA ALA 26 HA ALA 26 10.391 24.986 13.312
222 HB1 ALA 26 HB1 ALA 26 10.327 24.582 15.744
223 HB2 ALA 26 HB2 ALA 26 10.258 23.062 14.828
224 HB3 ALA 26 HB3 ALA 26 11.771 23.561 15.617
225 H GLU 27 H GLU 27 10.784 27.150 13.328
226 HA GLU 27 HA GLU 27 13.150 28.314 14.647
227 HB2 GLU 27 HB2 GLU 27 13.963 27.402 12.438
228 HB3 GLU 27 HB3 GLU 27 12.828 28.485 11.626
229 HG2 GLU 27 HG2 GLU 27 13.984 30.431 12.680
230 HG3 GLU 27 HG3 GLU 27 15.060 29.315 13.530
231 H GLY 28 H GLY 28 12.692 30.362 15.348
232 HA2 GLY 28 HA2 GLY 28 11.802 32.455 15.511
233 HA3 GLY 28 HA3 GLY 28 11.496 32.366 13.776
234 H GLY 29 H GLY 29 9.878 30.203 16.071
235 HA2 GLY 29 HA2 GLY 29 7.662 30.093 16.782
236 HA3 GLY 29 HA3 GLY 29 7.377 31.725 16.161
237 H ALA 30 H ALA 30 8.747 29.419 13.958
238 HA ALA 30 HA ALA 30 6.153 28.680 12.724
239 HB1 ALA 30 HB1 ALA 30 7.030 30.809 11.650
240 HB2 ALA 30 HB2 ALA 30 8.527 29.958 11.263
241 HB3 ALA 30 HB3 ALA 30 7.003 29.425 10.534
242 H VAL 31 H VAL 31 6.440 27.026 11.030
243 HA VAL 31 HA VAL 31 8.969 25.430 11.303
244 HB VAL 31 HB VAL 31 6.233 24.392 10.578
245 HG11 VAL 31 HG11 VAL 31 7.825 23.239 9.137
246 HG12 VAL 31 HG12 VAL 31 8.965 23.029 10.485
247 HG13 VAL 31 HG13 VAL 31 7.418 22.155 10.452
248 HG21 VAL 31 HG21 VAL 31 8.188 23.663 12.820
249 HG22 VAL 31 HG22 VAL 31 6.739 24.670 13.018
250 HG23 VAL 31 HG23 VAL 31 6.571 22.968 12.553
251 H ARG 32 H ARG 32 10.244 25.308 9.677
252 HA ARG 32 HA ARG 32 9.408 26.173 6.914
253 HB2 ARG 32 HB2 ARG 32 12.171 25.935 8.197
254 HB3 ARG 32 HB3 ARG 32 11.867 26.289 6.495
255 HG2 ARG 32 HG2 ARG 32 10.815 28.412 7.023
256 HG3 ARG 32 HG3 ARG 32 10.850 28.044 8.768
257 HD2 ARG 32 HD2 ARG 32 12.630 29.584 8.266
258 HD3 ARG 32 HD3 ARG 32 13.306 28.009 8.738
259 HE ARG 32 HE ARG 32 13.062 28.197 5.851
260 HH11 ARG 32 HH11 ARG 32 15.203 29.298 8.461
261 HH12 ARG 32 HH12 ARG 32 16.503 29.567 7.321
262 HH21 ARG 32 HH21 ARG 32 14.701 28.468 4.593
263 HH22 ARG 32 HH22 ARG 32 16.257 29.074 5.160
264 H VAL 33 H VAL 33 9.751 24.764 5.201
265 HA VAL 33 HA VAL 33 11.166 22.240 5.612
266 HB VAL 33 HB VAL 33 9.360 21.205 6.375
267 HG11 VAL 33 HG11 VAL 33 7.449 22.914 4.786
268 HG12 VAL 33 HG12 VAL 33 7.005 21.564 5.863
269 HG13 VAL 33 HG13 VAL 33 7.780 22.993 6.542
270 HG21 VAL 33 HG21 VAL 33 9.875 20.036 4.292
271 HG22 VAL 33 HG22 VAL 33 8.156 19.910 4.693
272 HG23 VAL 33 HG23 VAL 33 8.668 21.021 3.420
273 H THR 34 H THR 34 11.965 21.322 3.849
274 HA THR 34 HA THR 34 11.635 22.823 1.259
275 HB THR 34 HB THR 34 14.255 21.692 2.282
276 HG1 THR 34 HG1 THR 34 14.786 23.746 2.972
277 HG21 THR 34 HG21 THR 34 15.217 23.379 0.720
278 HG22 THR 34 HG22 THR 34 14.205 22.211 -0.123
279 HG23 THR 34 HG23 THR 34 13.570 23.837 0.219
280 H THR 35 H THR 35 11.850 21.671 -0.655
281 HA THR 35 HA THR 35 11.671 18.677 -0.432
282 HB THR 35 HB THR 35 10.039 18.710 -2.202
283 HG1 THR 35 HG1 THR 35 10.246 21.537 -2.109
284 HG21 THR 35 HG21 THR 35 9.134 19.059 0.079
285 HG22 THR 35 HG22 THR 35 9.206 20.815 -0.174
286 HG23 THR 35 HG23 THR 35 8.152 19.806 -1.185
287 H LEU 36 H LEU 36 12.109 17.443 -2.414
288 HA LEU 36 HA LEU 36 14.497 18.320 -3.798
289 HB2 LEU 36 HB2 LEU 36 14.275 16.254 -5.098
290 HB3 LEU 36 HB3 LEU 36 14.353 16.037 -3.360
291 HG LEU 36 HG LEU 36 12.121 15.344 -3.174
292 HD11 LEU 36 HD11 LEU 36 10.874 16.844 -4.643
293 HD12 LEU 36 HD12 LEU 36 11.668 16.156 -6.081
294 HD13 LEU 36 HD13 LEU 36 10.553 15.175 -5.105
295 HD21 LEU 36 HD21 LEU 36 13.731 13.715 -4.150
296 HD22 LEU 36 HD22 LEU 36 12.056 13.409 -4.649
297 HD23 LEU 36 HD23 LEU 36 13.196 14.177 -5.776
298 H PHE 37 H PHE 37 11.346 19.330 -4.343
299 HA PHE 37 HA PHE 37 11.609 19.719 -7.242
300 HB2 PHE 37 HB2 PHE 37 9.622 20.966 -5.320
301 HB3 PHE 37 HB3 PHE 37 9.485 20.859 -7.069
302 HD1 PHE 37 HD1 PHE 37 8.383 19.418 -4.050
303 HD2 PHE 37 HD2 PHE 37 9.644 18.327 -8.030
304 HE1 PHE 37 HE1 PHE 37 7.206 17.247 -3.822
305 HE2 PHE 37 HE2 PHE 37 8.445 16.164 -7.813
306 HZ PHE 37 HZ PHE 37 7.237 15.610 -5.700
307 H ASP 38 H ASP 38 13.337 20.992 -4.839
308 HA ASP 38 HA ASP 38 14.422 22.844 -4.291
309 HB2 ASP 38 HB2 ASP 38 13.909 23.909 -7.072
310 HB3 ASP 38 HB3 ASP 38 15.104 24.497 -5.921
311 H GLU 39 H GLU 39 11.359 22.683 -4.149
312 HA GLU 39 HA GLU 39 10.691 25.528 -3.727
313 HB2 GLU 39 HB2 GLU 39 9.080 24.043 -4.895
314 HB3 GLU 39 HB3 GLU 39 9.002 23.013 -3.475
315 HG2 GLU 39 HG2 GLU 39 7.046 24.411 -3.560
316 HG3 GLU 39 HG3 GLU 39 8.001 24.871 -2.156
317 H GLU 40 H GLU 40 10.105 26.380 -1.745
318 HA GLU 40 HA GLU 40 10.558 24.756 0.699
319 HB2 GLU 40 HB2 GLU 40 12.647 26.001 0.250
320 HB3 GLU 40 HB3 GLU 40 11.740 27.526 0.281
321 HG2 GLU 40 HG2 GLU 40 11.037 27.020 2.631
322 HG3 GLU 40 HG3 GLU 40 12.000 25.555 2.600
323 H HIS 41 H HIS 41 9.099 25.028 2.209
324 HA HIS 41 HA HIS 41 6.952 27.092 1.907
325 HB2 HIS 41 HB2 HIS 41 6.741 24.405 3.256
326 HB3 HIS 41 HB3 HIS 41 5.441 25.517 2.869
327 HD2 HIS 41 HD2 HIS 41 7.513 22.694 1.453
328 HE1 HIS 41 HE1 HIS 41 5.013 23.948 -1.771
329 HE2 HIS 41 HE2 HIS 41 6.628 22.149 -0.983
330 H ALA 42 H ALA 42 6.055 27.986 3.824
331 HA ALA 42 HA ALA 42 7.428 27.507 6.391
332 HB1 ALA 42 HB1 ALA 42 8.589 29.444 5.440
333 HB2 ALA 42 HB2 ALA 42 7.042 30.290 5.192
334 HB3 ALA 42 HB3 ALA 42 7.609 29.925 6.831
335 H PHE 43 H PHE 43 6.117 27.469 8.073
336 HA PHE 43 HA PHE 43 3.242 28.259 7.774
337 HB2 PHE 43 HB2 PHE 43 4.354 25.700 8.951
338 HB3 PHE 43 HB3 PHE 43 2.657 26.187 8.877
339 HD1 PHE 43 HD1 PHE 43 1.617 26.590 6.539
340 HD2 PHE 43 HD2 PHE 43 5.338 24.478 7.159
341 HE1 PHE 43 HE1 PHE 43 1.412 25.566 4.293
342 HE2 PHE 43 HE2 PHE 43 5.104 23.428 4.926
343 HZ PHE 43 HZ PHE 43 3.163 23.985 3.475
344 HA PRO 44 HA PRO 44 4.843 30.223 11.603
345 HB2 PRO 44 HB2 PRO 44 3.187 32.401 11.638
346 HB3 PRO 44 HB3 PRO 44 4.676 32.286 10.659
347 HG2 PRO 44 HG2 PRO 44 1.823 31.788 9.781
348 HG3 PRO 44 HG3 PRO 44 3.102 32.728 8.936
349 HD2 PRO 44 HD2 PRO 44 2.494 30.160 8.292
350 HD3 PRO 44 HD3 PRO 44 4.164 30.795 8.174
351 H GLY 45 H GLY 45 4.161 30.200 13.667
352 HA2 GLY 45 HA2 GLY 45 2.736 29.958 15.502
353 HA3 GLY 45 HA3 GLY 45 1.364 29.674 14.435
354 H LEU 46 H LEU 46 3.969 27.687 13.529
355 HA LEU 46 HA LEU 46 2.852 25.343 15.010
356 HB2 LEU 46 HB2 LEU 46 4.323 25.365 12.362
357 HB3 LEU 46 HB3 LEU 46 3.661 23.962 13.178
358 HG LEU 46 HG LEU 46 2.113 26.227 11.876
359 HD11 LEU 46 HD11 LEU 46 2.144 23.223 11.371
360 HD12 LEU 46 HD12 LEU 46 1.347 24.476 10.395
361 HD13 LEU 46 HD13 LEU 46 3.113 24.389 10.462
362 HD21 LEU 46 HD21 LEU 46 1.061 23.850 13.473
363 HD22 LEU 46 HD22 LEU 46 0.853 25.574 13.867
364 HD23 LEU 46 HD23 LEU 46 0.067 24.896 12.438
365 H ALA 47 H ALA 47 4.238 23.637 15.524
366 HA ALA 47 HA ALA 47 7.165 23.965 15.405
367 HB1 ALA 47 HB1 ALA 47 5.674 23.209 17.948
368 HB2 ALA 47 HB2 ALA 47 7.437 23.165 17.724
369 HB3 ALA 47 HB3 ALA 47 6.580 24.716 17.669
370 H ILE 48 H ILE 48 8.269 21.836 15.590
371 HA ILE 48 HA ILE 48 6.798 19.671 14.279
372 HB ILE 48 HB ILE 48 9.601 19.704 15.442
373 HG12 ILE 48 HG12 ILE 48 8.871 19.826 12.490
374 HG13 ILE 48 HG13 ILE 48 9.095 21.291 13.444
375 HG21 ILE 48 HG21 ILE 48 9.911 17.646 14.010
376 HG22 ILE 48 HG22 ILE 48 8.734 17.406 15.289
377 HG23 ILE 48 HG23 ILE 48 8.188 17.693 13.625
378 HD11 ILE 48 HD11 ILE 48 11.144 20.807 12.292
379 HD12 ILE 48 HD12 ILE 48 11.406 20.583 14.028
380 HD13 ILE 48 HD13 ILE 48 11.209 19.171 12.954
381 H GLY 49 H GLY 49 5.458 18.314 15.325
382 HA2 GLY 49 HA2 GLY 49 5.556 18.118 18.289
383 HA3 GLY 49 HA3 GLY 49 4.227 17.680 17.223
384 H ARG 50 H ARG 50 5.617 15.967 15.418
385 HA ARG 50 HA ARG 50 6.681 13.708 17.044
386 HB2 ARG 50 HB2 ARG 50 4.159 13.705 17.163
387 HB3 ARG 50 HB3 ARG 50 4.127 13.522 15.406
388 HG2 ARG 50 HG2 ARG 50 5.301 11.325 15.639
389 HG3 ARG 50 HG3 ARG 50 5.290 11.536 17.406
390 HD2 ARG 50 HD2 ARG 50 2.776 11.735 17.293
391 HD3 ARG 50 HD3 ARG 50 2.873 11.371 15.556
392 HE ARG 50 HE ARG 50 4.191 9.396 17.290
393 HH11 ARG 50 HH11 ARG 50 1.057 10.136 15.857
394 HH12 ARG 50 HH12 ARG 50 0.525 8.485 16.035
395 HH21 ARG 50 HH21 ARG 50 3.478 7.480 17.518
396 HH22 ARG 50 HH22 ARG 50 1.886 6.959 16.941
397 H VAL 51 H VAL 51 7.815 12.230 15.904
398 HA VAL 51 HA VAL 51 7.874 12.326 12.920
399 HB VAL 51 HB VAL 51 10.348 12.126 14.659
400 HG11 VAL 51 HG11 VAL 51 9.985 12.260 11.638
401 HG12 VAL 51 HG12 VAL 51 11.542 12.340 12.492
402 HG13 VAL 51 HG13 VAL 51 10.565 10.878 12.578
403 HG21 VAL 51 HG21 VAL 51 9.415 14.462 12.948
404 HG22 VAL 51 HG22 VAL 51 9.551 14.446 14.718
405 HG23 VAL 51 HG23 VAL 51 11.004 14.311 13.731
406 H ASP 52 H ASP 52 7.099 10.389 12.330
407 HA ASP 52 HA ASP 52 7.608 7.975 14.021
408 HB2 ASP 52 HB2 ASP 52 5.283 8.732 13.886
409 HB3 ASP 52 HB3 ASP 52 5.327 8.637 12.119
410 H LEU 53 H LEU 53 9.515 7.236 13.170
411 HA LEU 53 HA LEU 53 10.143 7.287 10.356
412 HB2 LEU 53 HB2 LEU 53 11.521 5.814 12.640
413 HB3 LEU 53 HB3 LEU 53 12.159 6.035 11.023
414 HG LEU 53 HG LEU 53 13.334 7.528 12.333
415 HD11 LEU 53 HD11 LEU 53 11.153 9.199 11.037
416 HD12 LEU 53 HD12 LEU 53 12.781 9.748 11.469
417 HD13 LEU 53 HD13 LEU 53 12.578 8.506 10.215
418 HD21 LEU 53 HD21 LEU 53 12.484 9.188 13.846
419 HD22 LEU 53 HD22 LEU 53 10.807 8.734 13.523
420 HD23 LEU 53 HD23 LEU 53 11.906 7.594 14.340
421 H ARG 54 H ARG 54 8.276 5.073 12.154
422 HA ARG 54 HA ARG 54 8.695 2.636 10.670
423 HB2 ARG 54 HB2 ARG 54 6.099 3.653 11.888
424 HB3 ARG 54 HB3 ARG 54 6.509 1.987 11.492
425 HG2 ARG 54 HG2 ARG 54 8.290 2.001 13.242
426 HG3 ARG 54 HG3 ARG 54 7.864 3.678 13.645
427 HD2 ARG 54 HD2 ARG 54 5.452 2.805 13.977
428 HD3 ARG 54 HD3 ARG 54 6.141 1.194 13.951
429 HE ARG 54 HE ARG 54 7.091 1.543 16.068
430 HH11 ARG 54 HH11 ARG 54 5.961 4.732 14.936
431 HH12 ARG 54 HH12 ARG 54 5.806 5.254 16.614
432 HH21 ARG 54 HH21 ARG 54 6.975 2.529 18.112
433 HH22 ARG 54 HH22 ARG 54 6.437 4.206 18.191
434 H SER 55 H SER 55 6.914 5.569 9.953
435 HA SER 55 HA SER 55 6.134 4.521 7.253
436 HB2 SER 55 HB2 SER 55 4.510 6.346 9.058
437 HB3 SER 55 HB3 SER 55 4.053 5.807 7.430
438 HG SER 55 HG SER 55 3.066 4.540 9.075
439 H GLY 56 H GLY 56 7.890 6.950 8.879
440 HA2 GLY 56 HA2 GLY 56 9.154 8.688 8.003
441 HA3 GLY 56 HA3 GLY 56 8.498 8.380 6.400
442 H VAL 57 H VAL 57 6.408 8.964 9.222
443 HA VAL 57 HA VAL 57 5.354 11.408 7.864
444 HB VAL 57 HB VAL 57 4.145 9.715 10.063
445 HG11 VAL 57 HG11 VAL 57 3.031 12.134 8.558
446 HG12 VAL 57 HG12 VAL 57 2.078 11.062 9.602
447 HG13 VAL 57 HG13 VAL 57 3.367 12.034 10.302
448 HG21 VAL 57 HG21 VAL 57 2.504 9.087 8.320
449 HG22 VAL 57 HG22 VAL 57 3.405 10.048 7.124
450 HG23 VAL 57 HG23 VAL 57 4.132 8.601 7.847
451 H ILE 58 H ILE 58 5.752 13.352 8.538
452 HA ILE 58 HA ILE 58 6.735 13.907 11.312
453 HB ILE 58 HB ILE 58 7.105 15.349 8.676
454 HG12 ILE 58 HG12 ILE 58 9.193 14.252 10.603
455 HG13 ILE 58 HG13 ILE 58 8.576 13.346 9.231
456 HG21 ILE 58 HG21 ILE 58 6.715 17.086 10.334
457 HG22 ILE 58 HG22 ILE 58 7.843 16.314 11.472
458 HG23 ILE 58 HG23 ILE 58 8.419 17.044 9.955
459 HD11 ILE 58 HD11 ILE 58 9.358 15.192 7.705
460 HD12 ILE 58 HD12 ILE 58 10.185 15.915 9.117
461 HD13 ILE 58 HD13 ILE 58 10.634 14.297 8.536
462 H SER 59 H SER 59 5.087 14.546 12.590
463 HA SER 59 HA SER 59 2.756 16.007 11.404
464 HB2 SER 59 HB2 SER 59 2.943 14.732 14.137
465 HB3 SER 59 HB3 SER 59 1.522 15.473 13.387
466 HG SER 59 HG SER 59 1.488 13.208 13.174
467 H LEU 60 H LEU 60 2.612 18.115 11.652
468 HA LEU 60 HA LEU 60 4.219 19.516 13.726
469 HB2 LEU 60 HB2 LEU 60 2.492 20.747 11.575
470 HB3 LEU 60 HB3 LEU 60 3.725 21.531 12.568
471 HG LEU 60 HG LEU 60 4.157 19.505 10.337
472 HD11 LEU 60 HD11 LEU 60 4.948 22.420 10.701
473 HD12 LEU 60 HD12 LEU 60 5.392 21.401 9.308
474 HD13 LEU 60 HD13 LEU 60 3.703 21.809 9.614
475 HD21 LEU 60 HD21 LEU 60 5.848 19.018 12.055
476 HD22 LEU 60 HD22 LEU 60 6.589 19.827 10.683
477 HD23 LEU 60 HD23 LEU 60 6.255 20.744 12.170
478 H ILE 61 H ILE 61 3.297 20.986 15.169
479 HA ILE 61 HA ILE 61 0.373 20.810 15.707
480 HB ILE 61 HB ILE 61 0.760 20.610 18.098
481 HG12 ILE 61 HG12 ILE 61 3.063 19.503 18.752
482 HG13 ILE 61 HG13 ILE 61 3.707 20.408 17.385
483 HG21 ILE 61 HG21 ILE 61 1.194 18.228 18.142
484 HG22 ILE 61 HG22 ILE 61 0.262 18.633 16.695
485 HG23 ILE 61 HG23 ILE 61 2.005 18.301 16.557
486 HD11 ILE 61 HD11 ILE 61 2.989 22.524 18.494
487 HD12 ILE 61 HD12 ILE 61 2.217 21.585 19.784
488 HD13 ILE 61 HD13 ILE 61 3.976 21.544 19.588
489 H GLU 62 H GLU 62 -0.540 22.606 16.759
490 HA GLU 62 HA GLU 62 0.709 25.139 16.152
491 HB2 GLU 62 HB2 GLU 62 -1.713 24.635 17.936
492 HB3 GLU 62 HB3 GLU 62 -1.217 26.139 17.187
493 HG2 GLU 62 HG2 GLU 62 -2.816 25.575 15.710
494 HG3 GLU 62 HG3 GLU 62 -1.473 24.777 14.910
495 H GLU 63 H GLU 63 2.021 26.394 17.334
496 HA GLU 63 HA GLU 63 2.989 25.454 19.931
497 HB2 GLU 63 HB2 GLU 63 4.642 27.133 19.759
498 HB3 GLU 63 HB3 GLU 63 4.474 26.341 18.206
499 HG2 GLU 63 HG2 GLU 63 4.331 28.329 17.231
500 HG3 GLU 63 HG3 GLU 63 2.778 28.600 18.013
501 H GLN 64 H GLN 64 0.571 27.708 18.908
502 HA GLN 64 HA GLN 64 0.099 28.596 21.729
503 HB2 GLN 64 HB2 GLN 64 -0.965 29.708 19.099
504 HB3 GLN 64 HB3 GLN 64 -1.496 30.240 20.697
505 HG2 GLN 64 HG2 GLN 64 1.348 30.464 19.625
506 HG3 GLN 64 HG3 GLN 64 0.164 31.765 19.724
507 HE21 GLN 64 HE21 GLN 64 2.847 30.593 21.307
508 HE22 GLN 64 HE22 GLN 64 2.457 31.189 22.926
509 H ASN 65 H ASN 65 -1.896 28.261 22.664
510 HA ASN 65 HA ASN 65 -3.768 26.333 21.321
511 HB2 ASN 65 HB2 ASN 65 -2.995 26.441 24.261
512 HB3 ASN 65 HB3 ASN 65 -4.160 25.342 23.545
513 HD21 ASN 65 HD21 ASN 65 -0.968 23.893 21.812
514 HD22 ASN 65 HD22 ASN 65 -2.027 25.110 21.121
515 H ARG 66 H ARG 66 -3.642 29.445 21.925
516 HA ARG 66 HA ARG 66 -6.072 29.982 23.466
517 HB2 ARG 66 HB2 ARG 66 -4.370 31.806 21.705
518 HB3 ARG 66 HB3 ARG 66 -5.687 32.327 22.755
519 HG2 ARG 66 HG2 ARG 66 -4.450 31.475 24.745
520 HG3 ARG 66 HG3 ARG 66 -3.118 30.969 23.689
521 HD2 ARG 66 HD2 ARG 66 -2.492 33.045 24.673
522 HD3 ARG 66 HD3 ARG 66 -2.821 33.339 22.954
523 HE ARG 66 HE ARG 66 -5.202 33.823 24.472
524 HH11 ARG 66 HH11 ARG 66 -2.078 35.312 23.951
525 HH12 ARG 66 HH12 ARG 66 -2.684 36.920 24.300
526 HH21 ARG 66 HH21 ARG 66 -5.910 35.876 24.877
527 HH22 ARG 66 HH22 ARG 66 -4.793 37.211 24.826
528 H1 GLY -3 H1 GLY -3 13.747 -2.690 -3.860
529 H2 GLY -3 H2 GLY -3 12.794 -3.201 -2.620
530 H3 GLY -3 H3 GLY -3 12.559 -3.797 -4.129
531 HA2 GLY -3 HA2 GLY -3 14.970 -4.243 -2.468
532 HA3 GLY -3 HA3 GLY -3 13.703 -5.431 -2.779
533 HA PRO -2 HA PRO -2 17.211 -4.325 -2.953
534 HB2 PRO -2 HB2 PRO -2 18.426 -2.835 -5.277
535 HB3 PRO -2 HB3 PRO -2 19.243 -3.704 -3.934
536 HG2 PRO -2 HG2 PRO -2 19.046 -4.854 -6.375
537 HG3 PRO -2 HG3 PRO -2 18.705 -5.831 -4.905
538 HD2 PRO -2 HD2 PRO -2 16.723 -4.452 -6.753
539 HD3 PRO -2 HD3 PRO -2 16.708 -6.132 -6.130
540 H GLY -1 H GLY -1 17.825 -2.219 -2.052
541 HA2 GLY -1 HA2 GLY -1 17.357 -0.029 -1.397
542 HA3 GLY -1 HA3 GLY -1 16.209 0.163 -2.717
543 H SER 0 H SER 0 16.266 0.443 0.399
544 HA SER 0 HA SER 0 13.479 -0.250 0.933
545 HB2 SER 0 HB2 SER 0 14.673 -2.435 1.316
546 HB3 SER 0 HB3 SER 0 15.670 -1.621 2.536
547 HG SER 0 HG SER 0 12.869 -2.097 2.503
548 H MET 1 H MET 1 12.726 0.756 2.908
549 HA MET 1 HA MET 1 14.087 3.200 3.632
550 HB2 MET 1 HB2 MET 1 11.722 1.845 4.987
551 HB3 MET 1 HB3 MET 1 12.293 3.475 5.315
552 HG2 MET 1 HG2 MET 1 11.868 4.065 2.910
553 HG3 MET 1 HG3 MET 1 11.196 2.450 2.683
554 HE1 MET 1 HE1 MET 1 10.744 5.985 4.211
555 HE2 MET 1 HE2 MET 1 9.223 5.872 5.115
556 HE3 MET 1 HE3 MET 1 10.691 5.074 5.738
557 H CYS 2 H CYS 2 14.826 3.875 5.718
558 HA CYS 2 HA CYS 2 15.622 1.817 7.678
559 HB2 CYS 2 HB2 CYS 2 17.431 1.992 5.926
560 HB3 CYS 2 HB3 CYS 2 17.629 3.693 6.370
561 HG CYS 2 HG CYS 2 18.076 0.918 8.144
562 H MET 3 H MET 3 16.092 2.646 9.729
563 HA MET 3 HA MET 3 14.515 4.870 10.554
564 HB2 MET 3 HB2 MET 3 16.516 3.080 11.983
565 HB3 MET 3 HB3 MET 3 15.662 4.383 12.787
566 HG2 MET 3 HG2 MET 3 14.388 2.485 13.261
567 HG3 MET 3 HG3 MET 3 13.479 3.397 12.062
568 HE1 MET 3 HE1 MET 3 16.494 0.725 11.818
569 HE2 MET 3 HE2 MET 3 15.318 0.166 13.034
570 HE3 MET 3 HE3 MET 3 15.517 -0.722 11.503
571 H ALA 4 H ALA 4 15.060 6.728 11.703
572 HA ALA 4 HA ALA 4 17.402 8.238 10.813
573 HB1 ALA 4 HB1 ALA 4 16.282 10.063 12.037
574 HB2 ALA 4 HB2 ALA 4 15.136 9.225 10.994
575 HB3 ALA 4 HB3 ALA 4 15.144 8.914 12.749
576 H LYS 5 H LYS 5 18.411 9.652 12.656
577 HA LYS 5 HA LYS 5 18.761 8.243 15.237
578 HB2 LYS 5 HB2 LYS 5 21.165 8.578 15.280
579 HB3 LYS 5 HB3 LYS 5 20.679 7.524 13.951
580 HG2 LYS 5 HG2 LYS 5 20.922 9.455 12.371
581 HG3 LYS 5 HG3 LYS 5 21.492 10.463 13.721
582 HD2 LYS 5 HD2 LYS 5 23.376 8.863 14.081
583 HD3 LYS 5 HD3 LYS 5 22.803 7.899 12.709
584 HE2 LYS 5 HE2 LYS 5 23.108 9.847 11.196
585 HE3 LYS 5 HE3 LYS 5 23.678 10.817 12.562
586 HZ1 LYS 5 HZ1 LYS 5 25.538 9.885 11.303
587 HZ2 LYS 5 HZ2 LYS 5 25.546 9.268 12.811
588 HZ3 LYS 5 HZ3 LYS 5 25.019 8.364 11.550
589 H VAL 6 H VAL 6 19.078 9.540 16.989
590 HA VAL 6 HA VAL 6 18.424 12.437 16.610
591 HB VAL 6 HB VAL 6 18.077 10.656 19.034
592 HG11 VAL 6 HG11 VAL 6 18.445 12.919 19.837
593 HG12 VAL 6 HG12 VAL 6 17.291 13.564 18.631
594 HG13 VAL 6 HG13 VAL 6 16.741 12.526 19.968
595 HG21 VAL 6 HG21 VAL 6 16.453 10.171 17.235
596 HG22 VAL 6 HG22 VAL 6 15.673 10.940 18.625
597 HG23 VAL 6 HG23 VAL 6 16.015 11.899 17.177
598 H VAL 7 H VAL 7 19.649 14.054 17.518
599 HA VAL 7 HA VAL 7 21.861 13.349 19.359
600 HB VAL 7 HB VAL 7 22.933 13.594 17.223
601 HG11 VAL 7 HG11 VAL 7 21.373 15.077 16.025
602 HG12 VAL 7 HG12 VAL 7 21.797 16.420 17.106
603 HG13 VAL 7 HG13 VAL 7 23.012 15.734 16.012
604 HG21 VAL 7 HG21 VAL 7 23.549 16.082 18.874
605 HG22 VAL 7 HG22 VAL 7 24.083 14.451 19.301
606 HG23 VAL 7 HG23 VAL 7 24.629 15.204 17.794
607 H LEU 8 H LEU 8 22.265 14.743 20.994
608 HA LEU 8 HA LEU 8 20.927 17.361 21.152
609 HB2 LEU 8 HB2 LEU 8 19.766 16.904 23.211
610 HB3 LEU 8 HB3 LEU 8 19.265 15.777 21.978
611 HG LEU 8 HG LEU 8 21.179 14.237 23.160
612 HD11 LEU 8 HD11 LEU 8 21.781 15.880 24.914
613 HD12 LEU 8 HD12 LEU 8 20.082 15.972 25.423
614 HD13 LEU 8 HD13 LEU 8 20.995 14.471 25.621
615 HD21 LEU 8 HD21 LEU 8 18.844 13.596 22.810
616 HD22 LEU 8 HD22 LEU 8 19.401 13.155 24.423
617 HD23 LEU 8 HD23 LEU 8 18.348 14.570 24.208
618 H THR 9 H THR 9 21.698 18.706 22.858
619 HA THR 9 HA THR 9 24.417 17.985 23.892
620 HB THR 9 HB THR 9 23.367 20.790 23.413
621 HG1 THR 9 HG1 THR 9 23.617 19.756 21.462
622 HG21 THR 9 HG21 THR 9 25.217 20.675 25.061
623 HG22 THR 9 HG22 THR 9 26.172 19.696 23.924
624 HG23 THR 9 HG23 THR 9 25.769 21.387 23.543
625 H LYS 10 H LYS 10 24.782 18.014 25.997
626 HA LYS 10 HA LYS 10 22.569 18.370 27.909
627 HB2 LYS 10 HB2 LYS 10 25.481 17.520 28.288
628 HB3 LYS 10 HB3 LYS 10 24.232 17.486 29.535
629 HG2 LYS 10 HG2 LYS 10 22.896 15.903 28.105
630 HG3 LYS 10 HG3 LYS 10 24.273 15.811 26.989
631 HD2 LYS 10 HD2 LYS 10 24.351 15.084 29.951
632 HD3 LYS 10 HD3 LYS 10 24.144 13.929 28.631
633 HE2 LYS 10 HE2 LYS 10 26.351 14.599 27.698
634 HE3 LYS 10 HE3 LYS 10 26.571 15.749 29.027
635 HZ1 LYS 10 HZ1 LYS 10 26.294 12.803 29.350
636 HZ2 LYS 10 HZ2 LYS 10 27.691 13.634 29.476
637 HZ3 LYS 10 HZ3 LYS 10 26.510 13.869 30.573
638 H ALA 11 H ALA 11 22.844 19.586 29.904
639 HA ALA 11 HA ALA 11 23.701 22.296 29.603
640 HB1 ALA 11 HB1 ALA 11 21.929 21.560 31.128
641 HB2 ALA 11 HB2 ALA 11 23.118 20.674 32.114
642 HB3 ALA 11 HB3 ALA 11 23.196 22.447 31.998
643 H ASP 12 H ASP 12 25.483 19.449 30.609
644 HA ASP 12 HA ASP 12 27.772 20.830 31.772
645 HB2 ASP 12 HB2 ASP 12 27.436 18.009 30.672
646 HB3 ASP 12 HB3 ASP 12 28.829 18.575 31.590
647 H GLY 13 H GLY 13 26.737 20.677 28.550
648 HA2 GLY 13 HA2 GLY 13 27.784 21.506 26.657
649 HA3 GLY 13 HA3 GLY 13 29.352 21.494 27.472
650 H GLY 14 H GLY 14 28.258 18.470 28.068
651 HA2 GLY 14 HA2 GLY 14 29.637 17.126 25.851
652 HA3 GLY 14 HA3 GLY 14 28.787 16.365 27.200
653 H ARG 15 H ARG 15 28.481 15.285 24.736
654 HA ARG 15 HA ARG 15 25.680 15.981 23.957
655 HB2 ARG 15 HB2 ARG 15 28.065 15.517 22.119
656 HB3 ARG 15 HB3 ARG 15 26.390 15.308 21.581
657 HG2 ARG 15 HG2 ARG 15 25.831 17.582 22.232
658 HG3 ARG 15 HG3 ARG 15 27.481 17.885 22.799
659 HD2 ARG 15 HD2 ARG 15 28.349 17.675 20.557
660 HD3 ARG 15 HD3 ARG 15 26.774 17.129 19.936
661 HE ARG 15 HE ARG 15 26.058 19.488 21.019
662 HH11 ARG 15 HH11 ARG 15 28.646 18.819 18.735
663 HH12 ARG 15 HH12 ARG 15 28.549 20.415 18.037
664 HH21 ARG 15 HH21 ARG 15 26.014 21.467 20.126
665 HH22 ARG 15 HH22 ARG 15 27.069 21.883 18.808
666 H VAL 16 H VAL 16 24.434 14.427 23.054
667 HA VAL 16 HA VAL 16 25.112 11.566 23.633
668 HB VAL 16 HB VAL 16 22.655 13.079 24.596
669 HG11 VAL 16 HG11 VAL 16 23.225 10.089 24.732
670 HG12 VAL 16 HG12 VAL 16 21.924 10.934 25.604
671 HG13 VAL 16 HG13 VAL 16 21.901 10.883 23.844
672 HG21 VAL 16 HG21 VAL 16 23.370 12.328 26.839
673 HG22 VAL 16 HG22 VAL 16 24.821 11.576 26.134
674 HG23 VAL 16 HG23 VAL 16 24.605 13.335 26.083
675 H GLU 17 H GLU 17 24.211 10.111 22.254
676 HA GLU 17 HA GLU 17 22.369 11.093 20.141
677 HB2 GLU 17 HB2 GLU 17 24.700 9.196 19.607
678 HB3 GLU 17 HB3 GLU 17 23.503 9.784 18.459
679 HG2 GLU 17 HG2 GLU 17 25.347 11.108 17.979
680 HG3 GLU 17 HG3 GLU 17 24.335 12.150 18.966
681 H ILE 18 H ILE 18 20.938 9.599 19.281
682 HA ILE 18 HA ILE 18 20.778 6.899 20.543
683 HB ILE 18 HB ILE 18 18.318 8.602 20.003
684 HG12 ILE 18 HG12 ILE 18 18.189 8.276 22.670
685 HG13 ILE 18 HG13 ILE 18 19.942 8.302 22.531
686 HG21 ILE 18 HG21 ILE 18 17.156 6.809 21.165
687 HG22 ILE 18 HG22 ILE 18 18.071 6.129 19.822
688 HG23 ILE 18 HG23 ILE 18 18.685 5.965 21.480
689 HD11 ILE 18 HD11 ILE 18 19.040 10.542 23.016
690 HD12 ILE 18 HD12 ILE 18 19.704 10.577 21.378
691 HD13 ILE 18 HD13 ILE 18 17.947 10.442 21.617
692 H GLY 19 H GLY 19 21.146 5.509 18.968
693 HA2 GLY 19 HA2 GLY 19 20.767 6.224 16.144
694 HA3 GLY 19 HA3 GLY 19 21.579 4.794 16.764
695 H ASP 20 H ASP 20 19.695 4.982 14.597
696 HA ASP 20 HA ASP 20 17.970 3.885 13.670
697 HB2 ASP 20 HB2 ASP 20 18.836 1.777 15.643
698 HB3 ASP 20 HB3 ASP 20 17.889 1.493 14.174
699 H VAL 21 H VAL 21 16.797 5.704 15.152
700 HA VAL 21 HA VAL 21 14.946 4.629 17.097
701 HB VAL 21 HB VAL 21 14.031 6.865 17.241
702 HG11 VAL 21 HG11 VAL 21 17.074 6.695 17.306
703 HG12 VAL 21 HG12 VAL 21 16.117 7.943 18.101
704 HG13 VAL 21 HG13 VAL 21 15.945 6.254 18.599
705 HG21 VAL 21 HG21 VAL 21 14.361 7.654 14.870
706 HG22 VAL 21 HG22 VAL 21 14.917 8.782 16.102
707 HG23 VAL 21 HG23 VAL 21 16.097 7.794 15.226
708 H LEU 22 H LEU 22 12.870 4.110 16.959
709 HA LEU 22 HA LEU 22 11.564 3.827 14.307
710 HB2 LEU 22 HB2 LEU 22 10.659 3.116 17.139
711 HB3 LEU 22 HB3 LEU 22 9.747 2.777 15.668
712 HG LEU 22 HG LEU 22 12.460 1.586 16.381
713 HD11 LEU 22 HD11 LEU 22 10.628 0.759 17.790
714 HD12 LEU 22 HD12 LEU 22 9.636 0.425 16.342
715 HD13 LEU 22 HD13 LEU 22 11.115 -0.500 16.645
716 HD21 LEU 22 HD21 LEU 22 12.057 0.057 14.484
717 HD22 LEU 22 HD22 LEU 22 10.577 0.964 14.057
718 HD23 LEU 22 HD23 LEU 22 12.180 1.730 13.926
719 H GLU 23 H GLU 23 11.410 5.918 17.175
720 HA GLU 23 HA GLU 23 9.590 7.767 15.821
721 HB2 GLU 23 HB2 GLU 23 8.092 6.018 16.691
722 HB3 GLU 23 HB3 GLU 23 8.736 6.239 18.324
723 HG2 GLU 23 HG2 GLU 23 7.818 8.496 18.425
724 HG3 GLU 23 HG3 GLU 23 7.357 8.433 16.717
725 H VAL 24 H VAL 24 9.549 9.791 16.684
726 HA VAL 24 HA VAL 24 10.787 10.338 19.330
727 HB VAL 24 HB VAL 24 11.322 12.055 16.905
728 HG11 VAL 24 HG11 VAL 24 12.489 12.149 19.705
729 HG12 VAL 24 HG12 VAL 24 13.008 13.145 18.332
730 HG13 VAL 24 HG13 VAL 24 11.383 13.322 18.994
731 HG21 VAL 24 HG21 VAL 24 13.668 11.321 17.015
732 HG22 VAL 24 HG22 VAL 24 13.213 10.056 18.177
733 HG23 VAL 24 HG23 VAL 24 12.569 10.036 16.522
734 H ARG 25 H ARG 25 9.703 11.851 20.504
735 HA ARG 25 HA ARG 25 7.280 13.218 19.367
736 HB2 ARG 25 HB2 ARG 25 7.469 11.748 22.028
737 HB3 ARG 25 HB3 ARG 25 6.057 12.592 21.397
738 HG2 ARG 25 HG2 ARG 25 5.869 10.932 19.562
739 HG3 ARG 25 HG3 ARG 25 7.300 10.088 20.182
740 HD2 ARG 25 HD2 ARG 25 6.133 9.737 22.359
741 HD3 ARG 25 HD3 ARG 25 4.675 10.471 21.670
742 HE ARG 25 HE ARG 25 5.191 8.517 19.853
743 HH11 ARG 25 HH11 ARG 25 4.722 8.320 23.325
744 HH12 ARG 25 HH12 ARG 25 4.368 6.614 23.257
745 HH21 ARG 25 HH21 ARG 25 4.962 6.340 19.868
746 HH22 ARG 25 HH22 ARG 25 4.421 5.536 21.326
747 H ALA 26 H ALA 26 6.913 15.263 20.122
748 HA ALA 26 HA ALA 26 8.540 16.266 22.426
749 HB1 ALA 26 HB1 ALA 26 8.328 18.504 21.446
750 HB2 ALA 26 HB2 ALA 26 9.107 17.387 20.313
751 HB3 ALA 26 HB3 ALA 26 7.399 17.831 20.081
752 H GLU 27 H GLU 27 7.492 17.094 24.138
753 HA GLU 27 HA GLU 27 4.515 17.485 24.012
754 HB2 GLU 27 HB2 GLU 27 4.292 16.577 26.212
755 HB3 GLU 27 HB3 GLU 27 5.032 15.397 25.126
756 HG2 GLU 27 HG2 GLU 27 7.218 15.739 26.132
757 HG3 GLU 27 HG3 GLU 27 6.640 17.117 27.067
758 H GLY 28 H GLY 28 6.831 19.332 23.735
759 HA2 GLY 28 HA2 GLY 28 7.124 21.601 24.104
760 HA3 GLY 28 HA3 GLY 28 5.783 21.580 25.255
761 H GLY 29 H GLY 29 6.500 20.044 27.280
762 HA2 GLY 29 HA2 GLY 29 8.737 21.391 28.609
763 HA3 GLY 29 HA3 GLY 29 7.654 20.170 29.290
764 H ALA 30 H ALA 30 8.541 18.511 26.700
765 HA ALA 30 HA ALA 30 11.307 17.789 27.276
766 HB1 ALA 30 HB1 ALA 30 10.808 15.498 28.062
767 HB2 ALA 30 HB2 ALA 30 10.060 16.667 29.161
768 HB3 ALA 30 HB3 ALA 30 9.062 15.827 27.964
769 H VAL 31 H VAL 31 12.072 16.018 25.976
770 HA VAL 31 HA VAL 31 10.366 15.224 23.649
771 HB VAL 31 HB VAL 31 13.375 15.567 23.744
772 HG11 VAL 31 HG11 VAL 31 13.097 13.471 22.549
773 HG12 VAL 31 HG12 VAL 31 11.730 14.135 21.614
774 HG13 VAL 31 HG13 VAL 31 13.364 14.747 21.362
775 HG21 VAL 31 HG21 VAL 31 11.930 17.540 23.190
776 HG22 VAL 31 HG22 VAL 31 12.964 17.054 21.847
777 HG23 VAL 31 HG23 VAL 31 11.234 16.639 21.846
778 H ARG 32 H ARG 32 10.231 13.088 23.141
779 HA ARG 32 HA ARG 32 11.587 11.055 24.862
780 HB2 ARG 32 HB2 ARG 32 8.616 11.138 24.173
781 HB3 ARG 32 HB3 ARG 32 9.447 9.713 24.815
782 HG2 ARG 32 HG2 ARG 32 10.025 10.901 26.866
783 HG3 ARG 32 HG3 ARG 32 9.368 12.404 26.228
784 HD2 ARG 32 HD2 ARG 32 7.793 11.515 27.764
785 HD3 ARG 32 HD3 ARG 32 7.115 11.381 26.126
786 HE ARG 32 HE ARG 32 8.463 8.923 26.806
787 HH11 ARG 32 HH11 ARG 32 7.470 7.196 27.323
788 HH12 ARG 32 HH12 ARG 32 5.804 7.159 27.918
789 HH21 ARG 32 HH21 ARG 32 5.511 10.619 27.681
790 HH22 ARG 32 HH22 ARG 32 4.695 9.134 28.100
791 H VAL 33 H VAL 33 12.011 9.087 23.837
792 HA VAL 33 HA VAL 33 11.434 8.788 20.965
793 HB VAL 33 HB VAL 33 13.117 10.117 20.414
794 HG11 VAL 33 HG11 VAL 33 15.210 10.556 21.550
795 HG12 VAL 33 HG12 VAL 33 13.840 10.922 22.565
796 HG13 VAL 33 HG13 VAL 33 14.750 9.419 22.848
797 HG21 VAL 33 HG21 VAL 33 13.806 7.921 19.524
798 HG22 VAL 33 HG22 VAL 33 15.176 8.999 19.840
799 HG23 VAL 33 HG23 VAL 33 14.823 7.668 20.957
800 H THR 34 H THR 34 11.706 6.825 20.101
801 HA THR 34 HA THR 34 12.356 4.584 21.998
802 HB THR 34 HB THR 34 10.110 4.701 19.960
803 HG1 THR 34 HG1 THR 34 9.664 5.890 21.789
804 HG21 THR 34 HG21 THR 34 10.861 2.384 20.183
805 HG22 THR 34 HG22 THR 34 10.912 2.536 21.954
806 HG23 THR 34 HG23 THR 34 9.362 2.592 21.083
807 H THR 35 H THR 35 13.541 2.935 21.306
808 HA THR 35 HA THR 35 14.739 3.055 18.571
809 HB THR 35 HB THR 35 16.534 1.714 19.442
810 HG1 THR 35 HG1 THR 35 15.189 1.821 21.936
811 HG21 THR 35 HG21 THR 35 16.734 4.130 19.788
812 HG22 THR 35 HG22 THR 35 15.959 3.985 21.383
813 HG23 THR 35 HG23 THR 35 17.529 3.212 21.083
814 H LEU 36 H LEU 36 15.336 1.009 17.514
815 HA LEU 36 HA LEU 36 13.221 -0.888 17.318
816 HB2 LEU 36 HB2 LEU 36 14.449 -1.902 15.662
817 HB3 LEU 36 HB3 LEU 36 14.951 -0.228 15.554
818 HG LEU 36 HG LEU 36 16.536 -2.542 16.801
819 HD11 LEU 36 HD11 LEU 36 17.057 -0.900 14.295
820 HD12 LEU 36 HD12 LEU 36 18.019 -2.263 14.913
821 HD13 LEU 36 HD13 LEU 36 16.365 -2.536 14.330
822 HD21 LEU 36 HD21 LEU 36 17.257 0.401 16.501
823 HD22 LEU 36 HD22 LEU 36 17.175 -0.526 18.012
824 HD23 LEU 36 HD23 LEU 36 18.433 -0.876 16.827
825 H PHE 37 H PHE 37 15.627 -0.705 19.743
826 HA PHE 37 HA PHE 37 15.756 -3.561 20.365
827 HB2 PHE 37 HB2 PHE 37 16.588 -1.184 22.058
828 HB3 PHE 37 HB3 PHE 37 17.093 -2.851 22.250
829 HD1 PHE 37 HD1 PHE 37 18.192 -3.903 19.961
830 HD2 PHE 37 HD2 PHE 37 18.175 0.256 21.105
831 HE1 PHE 37 HE1 PHE 37 20.175 -3.487 18.519
832 HE2 PHE 37 HE2 PHE 37 20.169 0.656 19.684
833 HZ PHE 37 HZ PHE 37 21.172 -1.213 18.388
834 H ASP 38 H ASP 38 13.207 -1.532 20.609
835 HA ASP 38 HA ASP 38 11.415 -1.181 21.882
836 HB2 ASP 38 HB2 ASP 38 11.273 -3.708 21.734
837 HB3 ASP 38 HB3 ASP 38 11.947 -3.762 23.362
838 H GLU 39 H GLU 39 14.056 -0.227 22.702
839 HA GLU 39 HA GLU 39 13.611 0.362 25.596
840 HB2 GLU 39 HB2 GLU 39 15.839 -0.518 24.952
841 HB3 GLU 39 HB3 GLU 39 16.048 0.835 23.855
842 HG2 GLU 39 HG2 GLU 39 17.299 1.338 25.794
843 HG3 GLU 39 HG3 GLU 39 15.918 2.420 25.771
844 H GLU 40 H GLU 40 13.097 2.367 26.277
845 HA GLU 40 HA GLU 40 12.765 4.537 24.256
846 HB2 GLU 40 HB2 GLU 40 10.662 3.487 24.742
847 HB3 GLU 40 HB3 GLU 40 10.862 3.689 26.474
848 HG2 GLU 40 HG2 GLU 40 10.913 6.136 24.693
849 HG3 GLU 40 HG3 GLU 40 9.394 5.296 24.916
850 H HIS 41 H HIS 41 13.121 6.604 24.859
851 HA HIS 41 HA HIS 41 14.599 7.120 27.410
852 HB2 HIS 41 HB2 HIS 41 15.259 8.256 24.681
853 HB3 HIS 41 HB3 HIS 41 16.185 8.420 26.152
854 HD2 HIS 41 HD2 HIS 41 15.655 6.143 23.176
855 HE1 HIS 41 HE1 HIS 41 18.543 4.160 25.618
856 HE2 HIS 41 HE2 HIS 41 17.389 4.152 23.355
857 H ALA 42 H ALA 42 14.599 9.320 28.131
858 HA ALA 42 HA ALA 42 12.658 11.186 26.929
859 HB1 ALA 42 HB1 ALA 42 11.540 11.561 29.065
860 HB2 ALA 42 HB2 ALA 42 11.396 9.856 28.608
861 HB3 ALA 42 HB3 ALA 42 12.573 10.340 29.845
862 H PHE 43 H PHE 43 13.177 13.282 27.134
863 HA PHE 43 HA PHE 43 15.555 14.123 28.725
864 HB2 PHE 43 HB2 PHE 43 15.093 14.655 25.778
865 HB3 PHE 43 HB3 PHE 43 16.439 15.242 26.752
866 HD1 PHE 43 HD1 PHE 43 15.194 12.568 24.674
867 HD2 PHE 43 HD2 PHE 43 18.016 13.464 27.812
868 HE1 PHE 43 HE1 PHE 43 16.463 10.495 24.144
869 HE2 PHE 43 HE2 PHE 43 19.280 11.396 27.274
870 HZ PHE 43 HZ PHE 43 18.481 9.891 25.460
871 HA PRO 44 HA PRO 44 12.218 17.187 29.446
872 HB2 PRO 44 HB2 PRO 44 13.906 17.616 31.880
873 HB3 PRO 44 HB3 PRO 44 12.122 17.538 31.732
874 HG2 PRO 44 HG2 PRO 44 13.505 15.425 32.712
875 HG3 PRO 44 HG3 PRO 44 12.175 15.154 31.530
876 HD2 PRO 44 HD2 PRO 44 15.158 15.264 30.987
877 HD3 PRO 44 HD3 PRO 44 13.951 14.060 30.443
878 H GLY 45 H GLY 45 12.164 19.390 29.261
879 HA2 GLY 45 HA2 GLY 45 12.859 21.570 28.980
880 HA3 GLY 45 HA3 GLY 45 14.524 21.114 29.343
881 H LEU 46 H LEU 46 13.481 19.055 26.895
882 HA LEU 46 HA LEU 46 14.641 20.780 24.765
883 HB2 LEU 46 HB2 LEU 46 14.309 17.761 24.854
884 HB3 LEU 46 HB3 LEU 46 15.052 18.689 23.554
885 HG LEU 46 HG LEU 46 16.131 18.342 26.381
886 HD11 LEU 46 HD11 LEU 46 17.929 17.157 25.272
887 HD12 LEU 46 HD12 LEU 46 16.399 16.455 24.729
888 HD13 LEU 46 HD13 LEU 46 17.281 17.562 23.668
889 HD21 LEU 46 HD21 LEU 46 17.257 19.993 24.077
890 HD22 LEU 46 HD22 LEU 46 16.733 20.610 25.661
891 HD23 LEU 46 HD23 LEU 46 18.148 19.557 25.564
892 H ALA 47 H ALA 47 13.869 20.619 22.664
893 HA ALA 47 HA ALA 47 11.236 19.451 22.076
894 HB1 ALA 47 HB1 ALA 47 10.527 21.496 20.853
895 HB2 ALA 47 HB2 ALA 47 10.708 21.801 22.599
896 HB3 ALA 47 HB3 ALA 47 11.961 22.347 21.454
897 H ILE 48 H ILE 48 10.984 19.141 19.700
898 HA ILE 48 HA ILE 48 13.483 18.316 18.432
899 HB ILE 48 HB ILE 48 10.658 18.411 17.318
900 HG12 ILE 48 HG12 ILE 48 12.195 15.917 18.148
901 HG13 ILE 48 HG13 ILE 48 11.216 16.804 19.313
902 HG21 ILE 48 HG21 ILE 48 11.595 16.834 15.577
903 HG22 ILE 48 HG22 ILE 48 12.281 18.456 15.478
904 HG23 ILE 48 HG23 ILE 48 13.216 17.135 16.214
905 HD11 ILE 48 HD11 ILE 48 9.859 15.022 18.437
906 HD12 ILE 48 HD12 ILE 48 9.219 16.550 17.808
907 HD13 ILE 48 HD13 ILE 48 10.196 15.487 16.759
908 H GLY 49 H GLY 49 14.844 19.568 17.352
909 HA2 GLY 49 HA2 GLY 49 14.114 22.346 16.680
910 HA3 GLY 49 HA3 GLY 49 15.733 21.621 16.698
911 H ARG 50 H ARG 50 15.533 19.499 15.010
912 HA ARG 50 HA ARG 50 14.272 20.298 12.479
913 HB2 ARG 50 HB2 ARG 50 16.256 20.536 11.166
914 HB3 ARG 50 HB3 ARG 50 16.420 21.612 12.545
915 HG2 ARG 50 HG2 ARG 50 18.458 20.701 12.878
916 HG3 ARG 50 HG3 ARG 50 17.627 19.273 13.447
917 HD2 ARG 50 HD2 ARG 50 19.145 18.448 11.857
918 HD3 ARG 50 HD3 ARG 50 17.596 18.430 11.035
919 HE ARG 50 HE ARG 50 18.262 20.318 9.679
920 HH11 ARG 50 HH11 ARG 50 20.938 19.425 11.806
921 HH12 ARG 50 HH12 ARG 50 22.067 20.302 10.813
922 HH21 ARG 50 HH21 ARG 50 19.673 21.289 8.542
923 HH22 ARG 50 HH22 ARG 50 21.382 21.364 8.968
924 H VAL 51 H VAL 51 14.456 18.824 10.789
925 HA VAL 51 HA VAL 51 15.426 16.061 11.386
926 HB VAL 51 HB VAL 51 12.821 16.677 9.932
927 HG11 VAL 51 HG11 VAL 51 12.490 14.227 10.102
928 HG12 VAL 51 HG12 VAL 51 13.960 14.608 9.198
929 HG13 VAL 51 HG13 VAL 51 14.068 14.055 10.874
930 HG21 VAL 51 HG21 VAL 51 13.208 15.660 12.778
931 HG22 VAL 51 HG22 VAL 51 12.408 17.163 12.268
932 HG23 VAL 51 HG23 VAL 51 11.676 15.613 11.859
933 H ASP 52 H ASP 52 17.124 15.884 9.994
934 HA ASP 52 HA ASP 52 16.987 17.141 7.281
935 HB2 ASP 52 HB2 ASP 52 18.864 17.821 8.642
936 HB3 ASP 52 HB3 ASP 52 19.309 16.136 8.963
937 H LEU 53 H LEU 53 16.003 15.712 5.904
938 HA LEU 53 HA LEU 53 16.290 12.826 6.192
939 HB2 LEU 53 HB2 LEU 53 14.915 14.450 4.022
940 HB3 LEU 53 HB3 LEU 53 14.843 12.710 4.211
941 HG LEU 53 HG LEU 53 12.808 13.518 4.990
942 HD11 LEU 53 HD11 LEU 53 12.718 12.816 7.337
943 HD12 LEU 53 HD12 LEU 53 13.794 11.757 6.405
944 HD13 LEU 53 HD13 LEU 53 14.463 12.991 7.496
945 HD21 LEU 53 HD21 LEU 53 14.108 15.420 6.954
946 HD22 LEU 53 HD22 LEU 53 13.418 15.894 5.391
947 HD23 LEU 53 HD23 LEU 53 12.387 15.192 6.648
948 H ARG 54 H ARG 54 18.192 15.185 4.627
949 HA ARG 54 HA ARG 54 19.281 13.557 2.481
950 HB2 ARG 54 HB2 ARG 54 20.704 15.775 3.986
951 HB3 ARG 54 HB3 ARG 54 21.032 15.211 2.355
952 HG2 ARG 54 HG2 ARG 54 18.839 16.151 1.595
953 HG3 ARG 54 HG3 ARG 54 18.532 16.720 3.242
954 HD2 ARG 54 HD2 ARG 54 20.887 17.867 3.021
955 HD3 ARG 54 HD3 ARG 54 20.656 17.632 1.292
956 HE ARG 54 HE ARG 54 19.035 19.314 1.281
957 HH11 ARG 54 HH11 ARG 54 19.425 18.434 4.714
958 HH12 ARG 54 HH12 ARG 54 18.939 20.062 5.176
959 HH21 ARG 54 HH21 ARG 54 18.221 21.251 2.162
960 HH22 ARG 54 HH22 ARG 54 18.185 21.414 3.915
961 H SER 55 H SER 55 19.901 13.738 5.912
962 HA SER 55 HA SER 55 22.118 11.712 5.698
963 HB2 SER 55 HB2 SER 55 23.167 12.762 7.602
964 HB3 SER 55 HB3 SER 55 22.903 13.979 6.341
965 HG SER 55 HG SER 55 21.537 15.002 7.608
966 H GLY 56 H GLY 56 19.035 12.385 7.150
967 HA2 GLY 56 HA2 GLY 56 17.677 10.955 8.373
968 HA3 GLY 56 HA3 GLY 56 19.004 9.824 8.601
969 H VAL 57 H VAL 57 19.735 13.165 9.393
970 HA VAL 57 HA VAL 57 19.888 12.441 12.253
971 HB VAL 57 HB VAL 57 20.952 14.823 10.716
972 HG11 VAL 57 HG11 VAL 57 21.197 14.144 13.689
973 HG12 VAL 57 HG12 VAL 57 22.182 15.351 12.840
974 HG13 VAL 57 HG13 VAL 57 20.443 15.592 12.998
975 HG21 VAL 57 HG21 VAL 57 22.320 12.485 12.141
976 HG22 VAL 57 HG22 VAL 57 22.162 12.666 10.376
977 HG23 VAL 57 HG23 VAL 57 23.143 13.819 11.297
978 H ILE 58 H ILE 58 18.428 12.913 13.642
979 HA ILE 58 HA ILE 58 16.593 15.270 13.397
980 HB ILE 58 HB ILE 58 16.572 12.783 15.138
981 HG12 ILE 58 HG12 ILE 58 14.473 13.790 13.178
982 HG13 ILE 58 HG13 ILE 58 15.707 12.603 12.765
983 HG21 ILE 58 HG21 ILE 58 14.459 13.692 16.161
984 HG22 ILE 58 HG22 ILE 58 15.864 14.650 16.571
985 HG23 ILE 58 HG23 ILE 58 14.750 15.227 15.309
986 HD11 ILE 58 HD11 ILE 58 14.826 11.103 14.590
987 HD12 ILE 58 HD12 ILE 58 13.453 12.228 14.769
988 HD13 ILE 58 HD13 ILE 58 13.723 11.401 13.232
989 H SER 59 H SER 59 17.027 17.024 14.683
990 HA SER 59 HA SER 59 19.129 16.707 16.819
991 HB2 SER 59 HB2 SER 59 19.946 17.904 14.731
992 HB3 SER 59 HB3 SER 59 18.820 19.206 15.173
993 HG SER 59 HG SER 59 20.926 19.527 16.038
994 H LEU 60 H LEU 60 18.643 17.442 18.756
995 HA LEU 60 HA LEU 60 16.016 18.787 19.183
996 HB2 LEU 60 HB2 LEU 60 17.790 17.485 21.247
997 HB3 LEU 60 HB3 LEU 60 16.126 18.012 21.431
998 HG LEU 60 HG LEU 60 17.158 15.662 19.799
999 HD11 LEU 60 HD11 LEU 60 17.011 15.337 22.234
1000 HD12 LEU 60 HD12 LEU 60 15.324 15.864 22.220
1001 HD13 LEU 60 HD13 LEU 60 15.809 14.357 21.393
1002 HD21 LEU 60 HD21 LEU 60 14.763 15.125 19.325
1003 HD22 LEU 60 HD22 LEU 60 14.296 16.695 20.017
1004 HD23 LEU 60 HD23 LEU 60 15.263 16.623 18.540
1005 H ILE 61 H ILE 61 15.767 20.541 20.511
1006 HA ILE 61 HA ILE 61 18.157 22.169 21.244
1007 HB ILE 61 HB ILE 61 17.047 24.200 20.390
1008 HG12 ILE 61 HG12 ILE 61 15.377 23.802 18.446
1009 HG13 ILE 61 HG13 ILE 61 14.973 22.289 19.232
1010 HG21 ILE 61 HG21 ILE 61 17.689 23.896 18.077
1011 HG22 ILE 61 HG22 ILE 61 18.816 23.022 19.127
1012 HG23 ILE 61 HG23 ILE 61 17.569 22.137 18.225
1013 HD11 ILE 61 HD11 ILE 61 13.425 24.140 19.768
1014 HD12 ILE 61 HD12 ILE 61 14.210 23.538 21.232
1015 HD13 ILE 61 HD13 ILE 61 14.759 25.064 20.490
1016 H GLU 62 H GLU 62 17.649 23.900 22.823
1017 HA GLU 62 HA GLU 62 15.964 22.852 24.960
1018 HB2 GLU 62 HB2 GLU 62 17.430 25.509 24.724
1019 HB3 GLU 62 HB3 GLU 62 16.588 24.905 26.164
1020 HG2 GLU 62 HG2 GLU 62 18.105 22.933 26.206
1021 HG3 GLU 62 HG3 GLU 62 18.961 23.559 24.796
1022 H GLU 63 H GLU 63 13.932 23.371 25.553
1023 HA GLU 63 HA GLU 63 12.254 24.647 23.581
1024 HB2 GLU 63 HB2 GLU 63 10.438 23.850 24.884
1025 HB3 GLU 63 HB3 GLU 63 11.681 22.637 24.861
1026 HG2 GLU 63 HG2 GLU 63 11.354 22.443 27.046
1027 HG3 GLU 63 HG3 GLU 63 12.382 23.862 27.199
1028 H GLN 64 H GLN 64 13.717 25.882 26.488
1029 HA GLN 64 HA GLN 64 12.442 28.551 25.985
1030 HB2 GLN 64 HB2 GLN 64 13.684 27.536 28.566
1031 HB3 GLN 64 HB3 GLN 64 13.133 29.181 28.276
1032 HG2 GLN 64 HG2 GLN 64 11.380 26.688 28.300
1033 HG3 GLN 64 HG3 GLN 64 11.503 27.880 29.577
1034 HE21 GLN 64 HE21 GLN 64 9.524 26.943 27.071
1035 HE22 GLN 64 HE22 GLN 64 8.766 28.495 26.737
1036 H ASN 65 H ASN 65 13.817 30.300 25.758
1037 HA ASN 65 HA ASN 65 16.763 29.786 25.520
1038 HB2 ASN 65 HB2 ASN 65 15.022 31.430 23.643
1039 HB3 ASN 65 HB3 ASN 65 16.775 31.267 23.546
1040 HD21 ASN 65 HD21 ASN 65 16.171 28.165 24.251
1041 HD22 ASN 65 HD22 ASN 65 15.796 27.571 22.651
1042 H ARG 66 H ARG 66 15.426 30.722 27.816
1043 HA ARG 66 HA ARG 66 16.593 33.392 28.277
1044 HB2 ARG 66 HB2 ARG 66 14.444 34.286 29.152
1045 HB3 ARG 66 HB3 ARG 66 14.431 34.008 27.419
1046 HG2 ARG 66 HG2 ARG 66 13.162 31.903 27.747
1047 HG3 ARG 66 HG3 ARG 66 13.178 32.151 29.498
1048 HD2 ARG 66 HD2 ARG 66 11.857 34.176 29.272
1049 HD3 ARG 66 HD3 ARG 66 11.955 34.082 27.500
1050 HE ARG 66 HE ARG 66 10.874 31.636 28.305
1051 HH11 ARG 66 HH11 ARG 66 9.791 34.974 28.520
1052 HH12 ARG 66 HH12 ARG 66 8.118 34.500 28.441
1053 HH21 ARG 66 HH21 ARG 66 8.835 31.129 28.234
1054 HH22 ARG 66 HH22 ARG 66 7.565 32.347 28.292
Start of MODEL 2
1 H1 GLY -3 H1 GLY -3 -1.997 0.948 -4.586
2 H2 GLY -3 H2 GLY -3 -2.120 -0.638 -4.200
3 H3 GLY -3 H3 GLY -3 -0.881 -0.112 -5.141
4 HA2 GLY -3 HA2 GLY -3 -1.314 0.578 -2.312
5 HA3 GLY -3 HA3 GLY -3 -0.093 -0.557 -2.910
6 HA PRO -2 HA PRO -2 1.274 4.041 -2.981
7 HB2 PRO -2 HB2 PRO -2 2.425 4.474 -0.554
8 HB3 PRO -2 HB3 PRO -2 0.655 4.570 -0.809
9 HG2 PRO -2 HG2 PRO -2 2.251 2.204 0.233
10 HG3 PRO -2 HG3 PRO -2 0.798 2.969 0.958
11 HD2 PRO -2 HD2 PRO -2 0.621 0.763 -0.627
12 HD3 PRO -2 HD3 PRO -2 -0.626 2.053 -0.678
13 H GLY -1 H GLY -1 2.913 1.044 -2.239
14 HA2 GLY -1 HA2 GLY -1 5.004 0.273 -2.905
15 HA3 GLY -1 HA3 GLY -1 5.338 1.828 -3.657
16 H SER 0 H SER 0 7.498 1.317 -2.724
17 HA SER 0 HA SER 0 7.998 1.311 0.108
18 HB2 SER 0 HB2 SER 0 9.521 0.339 -1.553
19 HB3 SER 0 HB3 SER 0 9.890 1.957 -2.182
20 HG SER 0 HG SER 0 10.890 2.484 -0.285
21 H MET 1 H MET 1 8.571 2.905 1.525
22 HA MET 1 HA MET 1 7.947 5.686 0.944
23 HB2 MET 1 HB2 MET 1 8.600 6.107 3.245
24 HB3 MET 1 HB3 MET 1 7.495 4.738 3.142
25 HG2 MET 1 HG2 MET 1 9.325 3.160 3.419
26 HG3 MET 1 HG3 MET 1 10.520 4.462 3.397
27 HE1 MET 1 HE1 MET 1 10.261 6.135 6.834
28 HE2 MET 1 HE2 MET 1 11.264 5.834 5.394
29 HE3 MET 1 HE3 MET 1 9.732 6.707 5.234
30 H CYS 2 H CYS 2 9.359 7.480 1.149
31 HA CYS 2 HA CYS 2 12.264 7.103 1.098
32 HB2 CYS 2 HB2 CYS 2 11.547 6.868 -1.299
33 HB3 CYS 2 HB3 CYS 2 10.830 8.486 -1.219
34 HG CYS 2 HG CYS 2 13.983 7.498 -0.841
35 H MET 3 H MET 3 13.328 8.882 1.906
36 HA MET 3 HA MET 3 13.575 10.553 3.430
37 HB2 MET 3 HB2 MET 3 11.771 12.078 1.540
38 HB3 MET 3 HB3 MET 3 12.909 12.750 2.707
39 HG2 MET 3 HG2 MET 3 14.795 12.148 1.490
40 HG3 MET 3 HG3 MET 3 13.932 10.958 0.513
41 HE1 MET 3 HE1 MET 3 11.879 12.960 -2.008
42 HE2 MET 3 HE2 MET 3 12.759 11.436 -1.746
43 HE3 MET 3 HE3 MET 3 11.491 11.944 -0.616
44 H ALA 4 H ALA 4 10.841 12.502 3.325
45 HA ALA 4 HA ALA 4 9.198 10.887 5.158
46 HB1 ALA 4 HB1 ALA 4 9.131 12.719 6.836
47 HB2 ALA 4 HB2 ALA 4 10.755 12.072 6.657
48 HB3 ALA 4 HB3 ALA 4 10.333 13.623 5.905
49 H LYS 5 H LYS 5 7.187 11.980 5.718
50 HA LYS 5 HA LYS 5 6.187 13.993 3.759
51 HB2 LYS 5 HB2 LYS 5 4.006 12.877 3.733
52 HB3 LYS 5 HB3 LYS 5 5.295 11.898 3.033
53 HG2 LYS 5 HG2 LYS 5 5.417 10.560 5.151
54 HG3 LYS 5 HG3 LYS 5 4.058 11.505 5.796
55 HD2 LYS 5 HD2 LYS 5 2.633 10.710 3.946
56 HD3 LYS 5 HD3 LYS 5 4.013 9.832 3.235
57 HE2 LYS 5 HE2 LYS 5 4.167 8.475 5.326
58 HE3 LYS 5 HE3 LYS 5 2.747 9.327 5.968
59 HZ1 LYS 5 HZ1 LYS 5 2.118 7.213 4.958
60 HZ2 LYS 5 HZ2 LYS 5 1.448 8.431 4.110
61 HZ3 LYS 5 HZ3 LYS 5 2.756 7.647 3.520
62 H VAL 6 H VAL 6 5.099 15.617 4.542
63 HA VAL 6 HA VAL 6 5.023 15.973 7.508
64 HB VAL 6 HB VAL 6 5.369 17.857 5.185
65 HG11 VAL 6 HG11 VAL 6 3.754 19.049 6.542
66 HG12 VAL 6 HG12 VAL 6 4.663 18.674 8.022
67 HG13 VAL 6 HG13 VAL 6 5.335 19.764 6.790
68 HG21 VAL 6 HG21 VAL 6 7.374 18.502 6.333
69 HG22 VAL 6 HG22 VAL 6 6.924 17.578 7.777
70 HG23 VAL 6 HG23 VAL 6 7.348 16.729 6.273
71 H VAL 7 H VAL 7 3.216 16.510 8.585
72 HA VAL 7 HA VAL 7 0.842 17.471 7.103
73 HB VAL 7 HB VAL 7 0.373 15.133 7.403
74 HG11 VAL 7 HG11 VAL 7 1.815 14.560 9.314
75 HG12 VAL 7 HG12 VAL 7 0.798 15.529 10.396
76 HG13 VAL 7 HG13 VAL 7 0.144 14.078 9.611
77 HG21 VAL 7 HG21 VAL 7 -1.746 15.243 8.491
78 HG22 VAL 7 HG22 VAL 7 -1.267 16.654 9.474
79 HG23 VAL 7 HG23 VAL 7 -1.481 16.812 7.715
80 H LEU 8 H LEU 8 -0.353 19.004 8.091
81 HA LEU 8 HA LEU 8 0.154 19.858 10.861
82 HB2 LEU 8 HB2 LEU 8 0.954 22.045 10.259
83 HB3 LEU 8 HB3 LEU 8 2.039 20.846 9.605
84 HG LEU 8 HG LEU 8 -0.085 21.684 7.695
85 HD11 LEU 8 HD11 LEU 8 2.012 23.697 8.557
86 HD12 LEU 8 HD12 LEU 8 0.902 23.847 7.177
87 HD13 LEU 8 HD13 LEU 8 0.257 23.838 8.822
88 HD21 LEU 8 HD21 LEU 8 1.831 21.877 6.147
89 HD22 LEU 8 HD22 LEU 8 2.956 21.589 7.491
90 HD23 LEU 8 HD23 LEU 8 1.825 20.315 6.985
91 H THR 9 H THR 9 -1.082 21.860 11.389
92 HA THR 9 HA THR 9 -3.476 22.374 9.686
93 HB THR 9 HB THR 9 -3.491 22.451 12.718
94 HG1 THR 9 HG1 THR 9 -3.443 20.340 12.006
95 HG21 THR 9 HG21 THR 9 -5.676 22.765 10.615
96 HG22 THR 9 HG22 THR 9 -5.971 22.603 12.365
97 HG23 THR 9 HG23 THR 9 -5.105 24.011 11.749
98 H LYS 10 H LYS 10 -3.622 24.428 9.052
99 HA LYS 10 HA LYS 10 -1.626 26.423 9.786
100 HB2 LYS 10 HB2 LYS 10 -4.164 26.524 8.125
101 HB3 LYS 10 HB3 LYS 10 -3.012 27.850 8.243
102 HG2 LYS 10 HG2 LYS 10 -1.232 26.411 7.265
103 HG3 LYS 10 HG3 LYS 10 -2.398 25.088 7.082
104 HD2 LYS 10 HD2 LYS 10 -2.760 27.860 5.878
105 HD3 LYS 10 HD3 LYS 10 -2.003 26.524 5.003
106 HE2 LYS 10 HE2 LYS 10 -3.986 25.277 4.863
107 HE3 LYS 10 HE3 LYS 10 -4.745 26.121 6.217
108 HZ1 LYS 10 HZ1 LYS 10 -5.044 28.056 4.910
109 HZ2 LYS 10 HZ2 LYS 10 -4.206 27.441 3.625
110 HZ3 LYS 10 HZ3 LYS 10 -5.652 26.809 4.059
111 H ALA 11 H ALA 11 -2.188 28.617 10.422
112 HA ALA 11 HA ALA 11 -3.733 28.848 12.813
113 HB1 ALA 11 HB1 ALA 11 -2.740 30.998 10.885
114 HB2 ALA 11 HB2 ALA 11 -3.256 31.252 12.571
115 HB3 ALA 11 HB3 ALA 11 -1.813 30.278 12.232
116 H ASP 12 H ASP 12 -4.753 29.162 9.447
117 HA ASP 12 HA ASP 12 -7.320 30.429 10.084
118 HB2 ASP 12 HB2 ASP 12 -7.768 30.300 7.744
119 HB3 ASP 12 HB3 ASP 12 -6.148 30.921 7.993
120 H GLY 13 H GLY 13 -6.226 27.347 10.646
121 HA2 GLY 13 HA2 GLY 13 -7.426 25.605 11.581
122 HA3 GLY 13 HA3 GLY 13 -8.940 26.262 10.971
123 H GLY 14 H GLY 14 -7.028 26.218 8.263
124 HA2 GLY 14 HA2 GLY 14 -8.156 23.701 7.236
125 HA3 GLY 14 HA3 GLY 14 -7.169 24.867 6.359
126 H ARG 15 H ARG 15 -7.048 21.789 6.881
127 HA ARG 15 HA ARG 15 -4.303 21.502 7.948
128 HB2 ARG 15 HB2 ARG 15 -6.132 19.362 6.806
129 HB3 ARG 15 HB3 ARG 15 -4.568 19.136 7.601
130 HG2 ARG 15 HG2 ARG 15 -5.772 20.511 9.575
131 HG3 ARG 15 HG3 ARG 15 -7.221 19.879 8.809
132 HD2 ARG 15 HD2 ARG 15 -4.854 18.306 9.908
133 HD3 ARG 15 HD3 ARG 15 -6.456 18.429 10.635
134 HE ARG 15 HE ARG 15 -6.844 17.390 8.034
135 HH11 ARG 15 HH11 ARG 15 -5.282 16.316 10.984
136 HH12 ARG 15 HH12 ARG 15 -5.490 14.628 10.590
137 HH21 ARG 15 HH21 ARG 15 -7.054 15.223 7.574
138 HH22 ARG 15 HH22 ARG 15 -6.477 14.032 8.711
139 H VAL 16 H VAL 16 -2.582 20.598 6.857
140 HA VAL 16 HA VAL 16 -2.583 20.638 3.876
141 HB VAL 16 HB VAL 16 -0.613 22.164 5.613
142 HG11 VAL 16 HG11 VAL 16 0.461 22.851 3.491
143 HG12 VAL 16 HG12 VAL 16 0.643 21.127 3.791
144 HG13 VAL 16 HG13 VAL 16 -0.570 21.699 2.613
145 HG21 VAL 16 HG21 VAL 16 -2.660 23.443 5.238
146 HG22 VAL 16 HG22 VAL 16 -1.318 24.130 4.317
147 HG23 VAL 16 HG23 VAL 16 -2.542 23.145 3.485
148 H GLU 17 H GLU 17 -1.285 19.162 2.941
149 HA GLU 17 HA GLU 17 0.495 17.444 4.599
150 HB2 GLU 17 HB2 GLU 17 -1.618 16.492 2.631
151 HB3 GLU 17 HB3 GLU 17 -0.321 15.479 3.296
152 HG2 GLU 17 HG2 GLU 17 -1.174 15.918 5.593
153 HG3 GLU 17 HG3 GLU 17 -2.530 16.826 4.914
154 H ILE 18 H ILE 18 2.398 16.926 3.630
155 HA ILE 18 HA ILE 18 2.874 17.660 0.760
156 HB ILE 18 HB ILE 18 4.536 18.581 3.121
157 HG12 ILE 18 HG12 ILE 18 3.152 20.427 1.139
158 HG13 ILE 18 HG13 ILE 18 2.336 19.885 2.595
159 HG21 ILE 18 HG21 ILE 18 5.929 19.776 1.444
160 HG22 ILE 18 HG22 ILE 18 5.964 18.040 1.166
161 HG23 ILE 18 HG23 ILE 18 4.955 19.078 0.139
162 HD11 ILE 18 HD11 ILE 18 3.306 22.050 2.995
163 HD12 ILE 18 HD12 ILE 18 4.068 20.833 4.030
164 HD13 ILE 18 HD13 ILE 18 4.920 21.450 2.597
165 H GLY 19 H GLY 19 3.867 16.057 -0.288
166 HA2 GLY 19 HA2 GLY 19 5.272 13.886 1.196
167 HA3 GLY 19 HA3 GLY 19 4.694 13.826 -0.464
168 H ASP 20 H ASP 20 7.172 12.915 0.084
169 HA ASP 20 HA ASP 20 9.356 12.999 -0.432
170 HB2 ASP 20 HB2 ASP 20 8.473 14.840 -2.664
171 HB3 ASP 20 HB3 ASP 20 9.946 13.884 -2.615
172 H VAL 21 H VAL 21 8.881 14.592 1.694
173 HA VAL 21 HA VAL 21 10.128 17.223 1.461
174 HB VAL 21 HB VAL 21 9.276 15.585 3.882
175 HG11 VAL 21 HG11 VAL 21 10.986 17.163 4.584
176 HG12 VAL 21 HG12 VAL 21 10.202 18.480 3.666
177 HG13 VAL 21 HG13 VAL 21 9.396 17.745 5.073
178 HG21 VAL 21 HG21 VAL 21 7.997 17.949 2.447
179 HG22 VAL 21 HG22 VAL 21 7.406 16.272 2.414
180 HG23 VAL 21 HG23 VAL 21 7.387 17.172 3.925
181 H LEU 22 H LEU 22 12.201 17.532 1.276
182 HA LEU 22 HA LEU 22 14.169 15.437 1.850
183 HB2 LEU 22 HB2 LEU 22 13.991 16.758 -0.298
184 HB3 LEU 22 HB3 LEU 22 14.403 18.203 0.607
185 HG LEU 22 HG LEU 22 16.603 17.117 1.189
186 HD11 LEU 22 HD11 LEU 22 16.056 14.759 0.844
187 HD12 LEU 22 HD12 LEU 22 15.761 15.061 -0.881
188 HD13 LEU 22 HD13 LEU 22 17.394 15.233 -0.211
189 HD21 LEU 22 HD21 LEU 22 17.646 17.559 -0.949
190 HD22 LEU 22 HD22 LEU 22 16.079 17.447 -1.766
191 HD23 LEU 22 HD23 LEU 22 16.389 18.764 -0.618
192 H GLU 23 H GLU 23 13.151 18.524 3.250
193 HA GLU 23 HA GLU 23 14.643 17.960 5.687
194 HB2 GLU 23 HB2 GLU 23 16.376 19.021 4.259
195 HB3 GLU 23 HB3 GLU 23 15.370 20.457 4.090
196 HG2 GLU 23 HG2 GLU 23 15.624 21.045 6.395
197 HG3 GLU 23 HG3 GLU 23 16.192 19.433 6.822
198 H VAL 24 H VAL 24 13.902 19.075 7.498
199 HA VAL 24 HA VAL 24 11.918 21.263 7.138
200 HB VAL 24 HB VAL 24 10.435 20.492 8.805
201 HG11 VAL 24 HG11 VAL 24 9.419 18.554 7.806
202 HG12 VAL 24 HG12 VAL 24 10.123 19.520 6.499
203 HG13 VAL 24 HG13 VAL 24 10.950 18.051 7.056
204 HG21 VAL 24 HG21 VAL 24 11.908 19.358 10.384
205 HG22 VAL 24 HG22 VAL 24 10.606 18.278 9.911
206 HG23 VAL 24 HG23 VAL 24 12.226 18.083 9.199
207 H ARG 25 H ARG 25 11.951 22.873 8.717
208 HA ARG 25 HA ARG 25 13.745 22.568 11.077
209 HB2 ARG 25 HB2 ARG 25 13.924 24.934 9.160
210 HB3 ARG 25 HB3 ARG 25 14.783 24.762 10.679
211 HG2 ARG 25 HG2 ARG 25 15.963 22.754 9.704
212 HG3 ARG 25 HG3 ARG 25 15.188 23.112 8.152
213 HD2 ARG 25 HD2 ARG 25 16.208 25.390 8.210
214 HD3 ARG 25 HD3 ARG 25 17.017 24.962 9.731
215 HE ARG 25 HE ARG 25 17.526 23.131 7.461
216 HH11 ARG 25 HH11 ARG 25 18.812 25.966 9.110
217 HH12 ARG 25 HH12 ARG 25 20.396 25.710 8.427
218 HH21 ARG 25 HH21 ARG 25 19.415 22.889 6.678
219 HH22 ARG 25 HH22 ARG 25 20.768 23.961 7.065
220 H ALA 26 H ALA 26 12.877 23.404 12.872
221 HA ALA 26 HA ALA 26 10.675 25.394 12.770
222 HB1 ALA 26 HB1 ALA 26 12.047 24.050 15.144
223 HB2 ALA 26 HB2 ALA 26 10.626 25.109 15.193
224 HB3 ALA 26 HB3 ALA 26 10.509 23.532 14.401
225 H GLU 27 H GLU 27 10.972 27.507 13.495
226 HA GLU 27 HA GLU 27 13.755 28.443 14.053
227 HB2 GLU 27 HB2 GLU 27 13.529 30.246 12.499
228 HB3 GLU 27 HB3 GLU 27 13.431 28.684 11.703
229 HG2 GLU 27 HG2 GLU 27 11.059 28.916 11.333
230 HG3 GLU 27 HG3 GLU 27 10.949 30.291 12.417
231 H GLY 28 H GLY 28 11.795 28.024 15.966
232 HA2 GLY 28 HA2 GLY 28 11.334 28.999 18.008
233 HA3 GLY 28 HA3 GLY 28 12.236 30.418 17.461
234 H GLY 29 H GLY 29 9.316 29.152 15.963
235 HA2 GLY 29 HA2 GLY 29 7.183 30.481 16.970
236 HA3 GLY 29 HA3 GLY 29 8.000 31.795 16.114
237 H ALA 30 H ALA 30 8.798 29.376 14.176
238 HA ALA 30 HA ALA 30 6.269 28.813 12.797
239 HB1 ALA 30 HB1 ALA 30 7.033 31.034 11.899
240 HB2 ALA 30 HB2 ALA 30 8.579 30.290 11.448
241 HB3 ALA 30 HB3 ALA 30 7.080 29.760 10.658
242 H VAL 31 H VAL 31 6.586 27.244 11.053
243 HA VAL 31 HA VAL 31 9.214 25.774 11.101
244 HB VAL 31 HB VAL 31 6.500 24.503 10.697
245 HG11 VAL 31 HG11 VAL 31 7.819 22.340 10.670
246 HG12 VAL 31 HG12 VAL 31 8.066 23.348 9.238
247 HG13 VAL 31 HG13 VAL 31 9.298 23.290 10.528
248 HG21 VAL 31 HG21 VAL 31 7.055 24.945 13.047
249 HG22 VAL 31 HG22 VAL 31 7.065 23.209 12.717
250 HG23 VAL 31 HG23 VAL 31 8.600 24.093 12.874
251 H ARG 32 H ARG 32 10.140 25.260 9.225
252 HA ARG 32 HA ARG 32 8.831 26.021 6.639
253 HB2 ARG 32 HB2 ARG 32 11.728 26.386 7.490
254 HB3 ARG 32 HB3 ARG 32 11.125 26.614 5.842
255 HG2 ARG 32 HG2 ARG 32 9.654 28.436 6.570
256 HG3 ARG 32 HG3 ARG 32 10.115 28.185 8.257
257 HD2 ARG 32 HD2 ARG 32 11.304 30.073 7.448
258 HD3 ARG 32 HD3 ARG 32 12.454 28.750 7.719
259 HE ARG 32 HE ARG 32 11.595 28.739 4.959
260 HH11 ARG 32 HH11 ARG 32 13.676 30.616 7.076
261 HH12 ARG 32 HH12 ARG 32 14.668 31.154 5.736
262 HH21 ARG 32 HH21 ARG 32 12.803 29.396 3.400
263 HH22 ARG 32 HH22 ARG 32 14.192 30.466 3.646
264 H VAL 33 H VAL 33 9.056 24.606 4.968
265 HA VAL 33 HA VAL 33 10.605 22.106 5.402
266 HB VAL 33 HB VAL 33 8.848 20.635 4.902
267 HG11 VAL 33 HG11 VAL 33 7.599 22.607 6.864
268 HG12 VAL 33 HG12 VAL 33 7.376 20.848 6.784
269 HG13 VAL 33 HG13 VAL 33 8.934 21.510 7.280
270 HG21 VAL 33 HG21 VAL 33 7.529 21.814 3.234
271 HG22 VAL 33 HG22 VAL 33 6.493 21.309 4.576
272 HG23 VAL 33 HG23 VAL 33 7.013 23.004 4.461
273 H THR 34 H THR 34 11.426 21.148 3.621
274 HA THR 34 HA THR 34 10.986 22.502 0.976
275 HB THR 34 HB THR 34 13.648 21.664 2.182
276 HG1 THR 34 HG1 THR 34 12.873 23.544 3.106
277 HG21 THR 34 HG21 THR 34 12.978 23.050 -0.453
278 HG22 THR 34 HG22 THR 34 14.609 22.937 0.247
279 HG23 THR 34 HG23 THR 34 13.757 21.469 -0.242
280 H THR 35 H THR 35 10.726 21.209 -0.711
281 HA THR 35 HA THR 35 11.067 18.261 -0.384
282 HB THR 35 HB THR 35 9.614 17.959 -2.231
283 HG1 THR 35 HG1 THR 35 9.505 20.773 -2.451
284 HG21 THR 35 HG21 THR 35 8.484 18.393 -0.074
285 HG22 THR 35 HG22 THR 35 8.350 20.115 -0.496
286 HG23 THR 35 HG23 THR 35 7.516 18.879 -1.469
287 H LEU 36 H LEU 36 11.976 17.044 -2.223
288 HA LEU 36 HA LEU 36 14.397 18.274 -3.202
289 HB2 LEU 36 HB2 LEU 36 14.782 16.158 -4.382
290 HB3 LEU 36 HB3 LEU 36 14.516 16.019 -2.656
291 HG LEU 36 HG LEU 36 12.330 15.061 -2.948
292 HD11 LEU 36 HD11 LEU 36 11.498 14.396 -5.206
293 HD12 LEU 36 HD12 LEU 36 11.448 16.126 -4.942
294 HD13 LEU 36 HD13 LEU 36 12.746 15.434 -5.944
295 HD21 LEU 36 HD21 LEU 36 14.383 13.826 -4.835
296 HD22 LEU 36 HD22 LEU 36 14.373 13.662 -3.066
297 HD23 LEU 36 HD23 LEU 36 13.041 12.982 -4.024
298 H PHE 37 H PHE 37 11.334 18.752 -4.375
299 HA PHE 37 HA PHE 37 12.051 19.074 -7.208
300 HB2 PHE 37 HB2 PHE 37 9.569 19.968 -5.699
301 HB3 PHE 37 HB3 PHE 37 9.762 19.869 -7.442
302 HD1 PHE 37 HD1 PHE 37 10.585 17.417 -8.297
303 HD2 PHE 37 HD2 PHE 37 8.385 18.222 -4.674
304 HE1 PHE 37 HE1 PHE 37 9.728 15.092 -8.301
305 HE2 PHE 37 HE2 PHE 37 7.535 15.881 -4.680
306 HZ PHE 37 HZ PHE 37 8.209 14.309 -6.491
307 H ASP 38 H ASP 38 13.105 20.734 -4.652
308 HA ASP 38 HA ASP 38 13.806 22.766 -4.101
309 HB2 ASP 38 HB2 ASP 38 13.460 23.656 -6.978
310 HB3 ASP 38 HB3 ASP 38 14.402 24.439 -5.726
311 H GLU 39 H GLU 39 10.752 22.123 -4.470
312 HA GLU 39 HA GLU 39 9.606 24.818 -4.133
313 HB2 GLU 39 HB2 GLU 39 8.316 23.067 -5.299
314 HB3 GLU 39 HB3 GLU 39 8.397 22.056 -3.863
315 HG2 GLU 39 HG2 GLU 39 6.255 22.945 -3.793
316 HG3 GLU 39 HG3 GLU 39 7.129 23.908 -2.616
317 H GLU 40 H GLU 40 9.266 25.796 -2.225
318 HA GLU 40 HA GLU 40 9.728 24.354 0.332
319 HB2 GLU 40 HB2 GLU 40 11.774 25.446 -0.329
320 HB3 GLU 40 HB3 GLU 40 10.972 26.989 -0.561
321 HG2 GLU 40 HG2 GLU 40 10.836 25.673 2.159
322 HG3 GLU 40 HG3 GLU 40 12.364 26.345 1.622
323 H HIS 41 H HIS 41 8.584 25.049 2.082
324 HA HIS 41 HA HIS 41 6.479 27.139 1.717
325 HB2 HIS 41 HB2 HIS 41 6.016 24.400 2.953
326 HB3 HIS 41 HB3 HIS 41 4.834 25.688 2.745
327 HD2 HIS 41 HD2 HIS 41 6.302 22.698 1.006
328 HE1 HIS 41 HE1 HIS 41 3.848 24.598 -1.920
329 HE2 HIS 41 HE2 HIS 41 5.161 22.486 -1.356
330 H ALA 42 H ALA 42 5.644 28.028 3.663
331 HA ALA 42 HA ALA 42 7.183 27.573 6.155
332 HB1 ALA 42 HB1 ALA 42 6.724 30.305 4.882
333 HB2 ALA 42 HB2 ALA 42 7.550 29.982 6.419
334 HB3 ALA 42 HB3 ALA 42 8.274 29.437 4.889
335 H PHE 43 H PHE 43 6.003 27.694 7.960
336 HA PHE 43 HA PHE 43 3.148 28.598 7.849
337 HB2 PHE 43 HB2 PHE 43 4.163 25.976 8.940
338 HB3 PHE 43 HB3 PHE 43 2.497 26.560 8.960
339 HD1 PHE 43 HD1 PHE 43 4.947 24.678 7.143
340 HD2 PHE 43 HD2 PHE 43 1.378 27.059 6.634
341 HE1 PHE 43 HE1 PHE 43 4.531 23.583 4.956
342 HE2 PHE 43 HE2 PHE 43 0.988 25.976 4.425
343 HZ PHE 43 HZ PHE 43 2.569 24.246 3.591
344 HA PRO 44 HA PRO 44 4.888 30.526 11.617
345 HB2 PRO 44 HB2 PRO 44 2.418 32.182 11.174
346 HB3 PRO 44 HB3 PRO 44 4.065 32.707 11.655
347 HG2 PRO 44 HG2 PRO 44 3.224 33.053 9.108
348 HG3 PRO 44 HG3 PRO 44 4.876 32.424 9.417
349 HD2 PRO 44 HD2 PRO 44 2.371 30.847 8.727
350 HD3 PRO 44 HD3 PRO 44 4.011 30.731 8.015
351 H GLY 45 H GLY 45 4.322 30.428 13.738
352 HA2 GLY 45 HA2 GLY 45 2.986 30.160 15.638
353 HA3 GLY 45 HA3 GLY 45 1.594 29.763 14.644
354 H LEU 46 H LEU 46 4.291 27.881 13.745
355 HA LEU 46 HA LEU 46 3.326 25.559 15.355
356 HB2 LEU 46 HB2 LEU 46 4.365 25.659 12.496
357 HB3 LEU 46 HB3 LEU 46 4.006 24.188 13.368
358 HG LEU 46 HG LEU 46 1.947 26.328 12.675
359 HD11 LEU 46 HD11 LEU 46 2.877 25.055 10.731
360 HD12 LEU 46 HD12 LEU 46 2.320 23.554 11.488
361 HD13 LEU 46 HD13 LEU 46 1.146 24.793 11.005
362 HD21 LEU 46 HD21 LEU 46 1.266 25.043 14.674
363 HD22 LEU 46 HD22 LEU 46 0.294 24.582 13.288
364 HD23 LEU 46 HD23 LEU 46 1.605 23.513 13.825
365 H ALA 47 H ALA 47 4.761 23.871 15.714
366 HA ALA 47 HA ALA 47 7.661 24.184 15.307
367 HB1 ALA 47 HB1 ALA 47 6.419 23.586 18.031
368 HB2 ALA 47 HB2 ALA 47 8.146 23.527 17.630
369 HB3 ALA 47 HB3 ALA 47 7.274 25.071 17.586
370 H ILE 48 H ILE 48 8.741 22.008 15.490
371 HA ILE 48 HA ILE 48 7.076 19.906 14.325
372 HB ILE 48 HB ILE 48 9.964 19.838 15.255
373 HG12 ILE 48 HG12 ILE 48 9.151 19.786 12.339
374 HG13 ILE 48 HG13 ILE 48 9.170 21.351 13.167
375 HG21 ILE 48 HG21 ILE 48 10.098 17.779 13.793
376 HG22 ILE 48 HG22 ILE 48 9.051 17.557 15.196
377 HG23 ILE 48 HG23 ILE 48 8.341 17.849 13.598
378 HD11 ILE 48 HD11 ILE 48 11.543 19.463 12.957
379 HD12 ILE 48 HD12 ILE 48 11.305 20.993 12.079
380 HD13 ILE 48 HD13 ILE 48 11.523 21.003 13.838
381 H GLY 49 H GLY 49 5.938 18.400 15.393
382 HA2 GLY 49 HA2 GLY 49 6.113 18.267 18.368
383 HA3 GLY 49 HA3 GLY 49 4.725 17.863 17.355
384 H ARG 50 H ARG 50 5.946 16.101 15.498
385 HA ARG 50 HA ARG 50 7.074 13.854 17.089
386 HB2 ARG 50 HB2 ARG 50 4.685 13.743 17.513
387 HB3 ARG 50 HB3 ARG 50 4.309 13.866 15.792
388 HG2 ARG 50 HG2 ARG 50 5.265 11.632 15.398
389 HG3 ARG 50 HG3 ARG 50 5.769 11.528 17.087
390 HD2 ARG 50 HD2 ARG 50 3.363 11.782 17.766
391 HD3 ARG 50 HD3 ARG 50 2.917 11.830 16.057
392 HE ARG 50 HE ARG 50 4.395 9.437 17.054
393 HH11 ARG 50 HH11 ARG 50 1.236 10.638 16.047
394 HH12 ARG 50 HH12 ARG 50 0.613 9.015 15.903
395 HH21 ARG 50 HH21 ARG 50 3.600 7.566 16.885
396 HH22 ARG 50 HH22 ARG 50 1.939 7.264 16.360
397 H VAL 51 H VAL 51 8.064 12.307 15.960
398 HA VAL 51 HA VAL 51 8.048 12.346 12.987
399 HB VAL 51 HB VAL 51 10.622 12.211 14.620
400 HG11 VAL 51 HG11 VAL 51 10.086 12.267 11.617
401 HG12 VAL 51 HG12 VAL 51 11.693 12.413 12.358
402 HG13 VAL 51 HG13 VAL 51 10.770 10.917 12.557
403 HG21 VAL 51 HG21 VAL 51 9.588 14.485 12.893
404 HG22 VAL 51 HG22 VAL 51 9.811 14.509 14.653
405 HG23 VAL 51 HG23 VAL 51 11.212 14.370 13.599
406 H ASP 52 H ASP 52 7.639 10.319 12.259
407 HA ASP 52 HA ASP 52 8.297 7.976 14.002
408 HB2 ASP 52 HB2 ASP 52 5.948 8.734 14.273
409 HB3 ASP 52 HB3 ASP 52 5.674 8.447 12.560
410 H LEU 53 H LEU 53 9.861 7.000 12.949
411 HA LEU 53 HA LEU 53 10.184 7.172 10.073
412 HB2 LEU 53 HB2 LEU 53 11.780 5.638 12.164
413 HB3 LEU 53 HB3 LEU 53 12.252 5.905 10.496
414 HG LEU 53 HG LEU 53 13.544 7.358 11.703
415 HD11 LEU 53 HD11 LEU 53 12.931 9.608 11.015
416 HD12 LEU 53 HD12 LEU 53 12.543 8.451 9.735
417 HD13 LEU 53 HD13 LEU 53 11.244 9.115 10.769
418 HD21 LEU 53 HD21 LEU 53 11.193 8.548 13.224
419 HD22 LEU 53 HD22 LEU 53 12.324 7.322 13.849
420 HD23 LEU 53 HD23 LEU 53 12.905 8.931 13.383
421 H ARG 54 H ARG 54 8.440 5.005 12.013
422 HA ARG 54 HA ARG 54 8.690 2.557 10.468
423 HB2 ARG 54 HB2 ARG 54 6.374 3.602 12.150
424 HB3 ARG 54 HB3 ARG 54 6.579 1.946 11.597
425 HG2 ARG 54 HG2 ARG 54 8.602 1.657 12.927
426 HG3 ARG 54 HG3 ARG 54 8.551 3.345 13.453
427 HD2 ARG 54 HD2 ARG 54 6.462 1.236 14.080
428 HD3 ARG 54 HD3 ARG 54 7.720 1.823 15.179
429 HE ARG 54 HE ARG 54 6.355 4.131 14.333
430 HH11 ARG 54 HH11 ARG 54 5.558 1.304 16.273
431 HH12 ARG 54 HH12 ARG 54 4.224 2.111 17.049
432 HH21 ARG 54 HH21 ARG 54 4.599 5.037 15.250
433 HH22 ARG 54 HH22 ARG 54 3.739 4.210 16.541
434 H SER 55 H SER 55 6.907 5.500 9.990
435 HA SER 55 HA SER 55 5.893 4.504 7.356
436 HB2 SER 55 HB2 SER 55 4.371 6.284 9.295
437 HB3 SER 55 HB3 SER 55 3.816 5.763 7.693
438 HG SER 55 HG SER 55 3.691 3.661 8.422
439 H GLY 56 H GLY 56 7.999 6.646 8.697
440 HA2 GLY 56 HA2 GLY 56 9.142 8.438 7.862
441 HA3 GLY 56 HA3 GLY 56 8.275 8.264 6.329
442 H VAL 57 H VAL 57 6.543 8.824 9.383
443 HA VAL 57 HA VAL 57 5.351 11.246 8.150
444 HB VAL 57 HB VAL 57 4.597 9.633 10.606
445 HG11 VAL 57 HG11 VAL 57 2.489 11.030 10.602
446 HG12 VAL 57 HG12 VAL 57 3.926 11.933 11.078
447 HG13 VAL 57 HG13 VAL 57 3.268 12.116 9.430
448 HG21 VAL 57 HG21 VAL 57 2.617 9.049 9.263
449 HG22 VAL 57 HG22 VAL 57 3.206 10.059 7.922
450 HG23 VAL 57 HG23 VAL 57 4.086 8.586 8.392
451 H ILE 58 H ILE 58 5.653 13.247 8.720
452 HA ILE 58 HA ILE 58 6.925 13.970 11.327
453 HB ILE 58 HB ILE 58 7.206 15.258 8.594
454 HG12 ILE 58 HG12 ILE 58 9.279 14.298 10.608
455 HG13 ILE 58 HG13 ILE 58 8.738 13.378 9.217
456 HG21 ILE 58 HG21 ILE 58 8.002 16.454 11.289
457 HG22 ILE 58 HG22 ILE 58 8.422 17.116 9.687
458 HG23 ILE 58 HG23 ILE 58 6.748 17.076 10.188
459 HD11 ILE 58 HD11 ILE 58 10.832 14.381 8.655
460 HD12 ILE 58 HD12 ILE 58 9.569 15.202 7.711
461 HD13 ILE 58 HD13 ILE 58 10.289 15.986 9.139
462 H SER 59 H SER 59 5.657 15.157 12.639
463 HA SER 59 HA SER 59 3.147 16.376 11.528
464 HB2 SER 59 HB2 SER 59 2.683 14.226 12.629
465 HB3 SER 59 HB3 SER 59 3.448 14.825 14.102
466 HG SER 59 HG SER 59 1.046 15.695 12.875
467 H LEU 60 H LEU 60 2.796 18.410 12.051
468 HA LEU 60 HA LEU 60 4.601 19.797 13.978
469 HB2 LEU 60 HB2 LEU 60 2.795 20.776 11.753
470 HB3 LEU 60 HB3 LEU 60 3.570 21.843 12.919
471 HG LEU 60 HG LEU 60 5.798 21.200 12.171
472 HD11 LEU 60 HD11 LEU 60 5.577 18.955 11.336
473 HD12 LEU 60 HD12 LEU 60 4.355 19.450 10.139
474 HD13 LEU 60 HD13 LEU 60 6.055 19.977 9.977
475 HD21 LEU 60 HD21 LEU 60 5.633 22.252 9.895
476 HD22 LEU 60 HD22 LEU 60 3.885 22.044 9.949
477 HD23 LEU 60 HD23 LEU 60 4.692 23.105 11.128
478 H ILE 61 H ILE 61 3.812 21.201 15.541
479 HA ILE 61 HA ILE 61 0.941 21.094 16.310
480 HB ILE 61 HB ILE 61 1.570 20.868 18.680
481 HG12 ILE 61 HG12 ILE 61 3.806 19.632 19.120
482 HG13 ILE 61 HG13 ILE 61 4.391 20.352 17.631
483 HG21 ILE 61 HG21 ILE 61 0.764 18.969 17.339
484 HG22 ILE 61 HG22 ILE 61 2.440 18.501 16.981
485 HG23 ILE 61 HG23 ILE 61 1.837 18.464 18.650
486 HD11 ILE 61 HD11 ILE 61 5.034 21.576 19.695
487 HD12 ILE 61 HD12 ILE 61 4.090 22.611 18.623
488 HD13 ILE 61 HD13 ILE 61 3.321 21.883 20.054
489 H GLU 62 H GLU 62 0.300 22.858 17.766
490 HA GLU 62 HA GLU 62 1.383 25.382 16.836
491 HB2 GLU 62 HB2 GLU 62 -0.650 24.741 18.986
492 HB3 GLU 62 HB3 GLU 62 -0.197 26.379 18.491
493 HG2 GLU 62 HG2 GLU 62 -0.839 25.801 16.132
494 HG3 GLU 62 HG3 GLU 62 -1.448 24.243 16.715
495 H GLU 63 H GLU 63 2.791 26.776 17.711
496 HA GLU 63 HA GLU 63 4.689 25.611 19.537
497 HB2 GLU 63 HB2 GLU 63 6.101 27.471 19.000
498 HB3 GLU 63 HB3 GLU 63 5.294 26.894 17.564
499 HG2 GLU 63 HG2 GLU 63 5.126 29.122 17.220
500 HG3 GLU 63 HG3 GLU 63 3.567 28.795 17.943
501 H GLN 64 H GLN 64 1.990 27.582 20.225
502 HA GLN 64 HA GLN 64 2.727 27.530 23.084
503 HB2 GLN 64 HB2 GLN 64 1.732 30.002 21.617
504 HB3 GLN 64 HB3 GLN 64 1.462 29.761 23.343
505 HG2 GLN 64 HG2 GLN 64 3.862 29.643 23.784
506 HG3 GLN 64 HG3 GLN 64 4.227 29.757 22.057
507 HE21 GLN 64 HE21 GLN 64 3.782 31.779 20.925
508 HE22 GLN 64 HE22 GLN 64 3.682 33.281 21.854
509 H ASN 65 H ASN 65 1.130 26.878 24.362
510 HA ASN 65 HA ASN 65 -1.636 26.511 23.283
511 HB2 ASN 65 HB2 ASN 65 0.037 24.422 24.735
512 HB3 ASN 65 HB3 ASN 65 -1.621 24.214 24.202
513 HD21 ASN 65 HD21 ASN 65 1.713 24.152 23.188
514 HD22 ASN 65 HD22 ASN 65 1.403 23.885 21.483
515 H ARG 66 H ARG 66 -0.086 28.162 25.505
516 HA ARG 66 HA ARG 66 -1.491 27.574 27.988
517 HB2 ARG 66 HB2 ARG 66 -0.368 29.553 28.840
518 HB3 ARG 66 HB3 ARG 66 0.759 28.465 28.034
519 HG2 ARG 66 HG2 ARG 66 0.671 29.964 25.986
520 HG3 ARG 66 HG3 ARG 66 -0.355 31.080 26.908
521 HD2 ARG 66 HD2 ARG 66 1.459 31.374 28.570
522 HD3 ARG 66 HD3 ARG 66 2.459 30.215 27.686
523 HE ARG 66 HE ARG 66 2.637 31.748 25.830
524 HH11 ARG 66 HH11 ARG 66 1.262 33.331 28.656
525 HH12 ARG 66 HH12 ARG 66 1.653 34.911 28.031
526 HH21 ARG 66 HH21 ARG 66 3.061 33.686 25.129
527 HH22 ARG 66 HH22 ARG 66 2.682 35.120 26.077
528 H1 GLY -3 H1 GLY -3 19.452 -3.684 6.599
529 H2 GLY -3 H2 GLY -3 18.989 -3.706 5.020
530 H3 GLY -3 H3 GLY -3 18.672 -4.988 5.981
531 HA2 GLY -3 HA2 GLY -3 17.174 -3.702 7.340
532 HA3 GLY -3 HA3 GLY -3 17.497 -2.303 6.291
533 HA PRO -2 HA PRO -2 13.751 -4.765 4.892
534 HB2 PRO -2 HB2 PRO -2 12.546 -2.004 4.974
535 HB3 PRO -2 HB3 PRO -2 11.814 -3.580 5.422
536 HG2 PRO -2 HG2 PRO -2 12.678 -1.889 7.341
537 HG3 PRO -2 HG3 PRO -2 13.057 -3.640 7.468
538 HD2 PRO -2 HD2 PRO -2 14.829 -1.411 6.420
539 HD3 PRO -2 HD3 PRO -2 15.217 -2.690 7.604
540 H GLY -1 H GLY -1 15.232 -1.828 3.631
541 HA2 GLY -1 HA2 GLY -1 15.276 -2.619 0.899
542 HA3 GLY -1 HA3 GLY -1 13.875 -1.577 1.141
543 H SER 0 H SER 0 14.578 0.198 0.020
544 HA SER 0 HA SER 0 17.156 1.479 0.295
545 HB2 SER 0 HB2 SER 0 15.662 1.733 -1.655
546 HB3 SER 0 HB3 SER 0 14.471 2.560 -0.631
547 HG SER 0 HG SER 0 15.875 3.984 -1.853
548 H MET 1 H MET 1 14.117 1.759 2.098
549 HA MET 1 HA MET 1 14.771 4.159 3.556
550 HB2 MET 1 HB2 MET 1 12.821 3.719 4.844
551 HB3 MET 1 HB3 MET 1 12.487 3.345 3.162
552 HG2 MET 1 HG2 MET 1 11.428 1.653 4.337
553 HG3 MET 1 HG3 MET 1 12.875 0.891 3.718
554 HE1 MET 1 HE1 MET 1 11.985 1.892 8.188
555 HE2 MET 1 HE2 MET 1 12.256 3.194 7.005
556 HE3 MET 1 HE3 MET 1 10.851 2.109 6.837
557 H CYS 2 H CYS 2 15.092 4.344 5.858
558 HA CYS 2 HA CYS 2 16.176 2.118 7.399
559 HB2 CYS 2 HB2 CYS 2 18.365 3.173 7.780
560 HB3 CYS 2 HB3 CYS 2 18.154 2.728 6.087
561 HG CYS 2 HG CYS 2 17.590 5.081 5.156
562 H MET 3 H MET 3 16.696 2.745 9.632
563 HA MET 3 HA MET 3 14.835 4.691 10.751
564 HB2 MET 3 HB2 MET 3 16.845 2.726 11.887
565 HB3 MET 3 HB3 MET 3 16.180 4.007 12.906
566 HG2 MET 3 HG2 MET 3 14.801 2.103 13.222
567 HG3 MET 3 HG3 MET 3 13.881 3.308 12.347
568 HE1 MET 3 HE1 MET 3 15.221 -0.332 12.382
569 HE2 MET 3 HE2 MET 3 15.436 -0.706 10.664
570 HE3 MET 3 HE3 MET 3 16.476 0.508 11.437
571 H ALA 4 H ALA 4 15.335 6.472 12.030
572 HA ALA 4 HA ALA 4 17.501 8.152 11.023
573 HB1 ALA 4 HB1 ALA 4 16.380 9.865 12.476
574 HB2 ALA 4 HB2 ALA 4 15.248 9.057 11.392
575 HB3 ALA 4 HB3 ALA 4 15.314 8.600 13.116
576 H LYS 5 H LYS 5 18.704 9.512 12.602
577 HA LYS 5 HA LYS 5 19.186 8.271 15.247
578 HB2 LYS 5 HB2 LYS 5 21.485 8.759 15.321
579 HB3 LYS 5 HB3 LYS 5 21.186 7.822 13.859
580 HG2 LYS 5 HG2 LYS 5 21.327 9.930 12.508
581 HG3 LYS 5 HG3 LYS 5 21.670 10.835 14.005
582 HD2 LYS 5 HD2 LYS 5 23.668 9.365 14.404
583 HD3 LYS 5 HD3 LYS 5 23.322 8.537 12.872
584 HE2 LYS 5 HE2 LYS 5 25.060 10.064 12.416
585 HE3 LYS 5 HE3 LYS 5 23.612 10.739 11.681
586 HZ1 LYS 5 HZ1 LYS 5 24.782 11.563 14.304
587 HZ2 LYS 5 HZ2 LYS 5 24.899 12.407 12.910
588 HZ3 LYS 5 HZ3 LYS 5 23.450 12.230 13.628
589 H VAL 6 H VAL 6 19.287 9.591 16.945
590 HA VAL 6 HA VAL 6 18.324 12.396 16.558
591 HB VAL 6 HB VAL 6 18.054 10.406 18.802
592 HG11 VAL 6 HG11 VAL 6 18.645 12.443 19.993
593 HG12 VAL 6 HG12 VAL 6 17.521 13.386 18.993
594 HG13 VAL 6 HG13 VAL 6 16.905 12.170 20.140
595 HG21 VAL 6 HG21 VAL 6 15.985 12.123 17.418
596 HG22 VAL 6 HG22 VAL 6 16.376 10.458 16.942
597 HG23 VAL 6 HG23 VAL 6 15.704 10.786 18.549
598 H VAL 7 H VAL 7 19.455 14.124 17.322
599 HA VAL 7 HA VAL 7 21.793 13.643 19.096
600 HB VAL 7 HB VAL 7 22.696 14.059 16.898
601 HG11 VAL 7 HG11 VAL 7 20.904 15.424 15.883
602 HG12 VAL 7 HG12 VAL 7 21.319 16.778 16.957
603 HG13 VAL 7 HG13 VAL 7 22.477 16.203 15.741
604 HG21 VAL 7 HG21 VAL 7 24.234 15.848 17.425
605 HG22 VAL 7 HG22 VAL 7 23.145 16.511 18.646
606 HG23 VAL 7 HG23 VAL 7 23.907 14.931 18.901
607 H LEU 8 H LEU 8 22.055 14.984 20.791
608 HA LEU 8 HA LEU 8 20.313 17.345 21.149
609 HB2 LEU 8 HB2 LEU 8 19.274 16.509 23.166
610 HB3 LEU 8 HB3 LEU 8 18.912 15.472 21.816
611 HG LEU 8 HG LEU 8 21.068 14.118 22.815
612 HD11 LEU 8 HD11 LEU 8 21.345 15.641 24.767
613 HD12 LEU 8 HD12 LEU 8 19.665 15.342 25.237
614 HD13 LEU 8 HD13 LEU 8 20.848 14.024 25.269
615 HD21 LEU 8 HD21 LEU 8 18.187 13.884 23.758
616 HD22 LEU 8 HD22 LEU 8 18.883 13.174 22.296
617 HD23 LEU 8 HD23 LEU 8 19.443 12.631 23.890
618 H THR 9 H THR 9 20.742 18.550 23.076
619 HA THR 9 HA THR 9 23.493 18.212 24.207
620 HB THR 9 HB THR 9 21.937 20.818 24.123
621 HG1 THR 9 HG1 THR 9 22.391 20.216 22.022
622 HG21 THR 9 HG21 THR 9 24.890 20.172 24.537
623 HG22 THR 9 HG22 THR 9 24.178 21.800 24.471
624 HG23 THR 9 HG23 THR 9 23.766 20.710 25.802
625 H LYS 10 H LYS 10 23.668 17.876 26.323
626 HA LYS 10 HA LYS 10 21.295 17.537 28.025
627 HB2 LYS 10 HB2 LYS 10 24.283 17.251 28.582
628 HB3 LYS 10 HB3 LYS 10 22.996 16.819 29.705
629 HG2 LYS 10 HG2 LYS 10 22.094 15.204 28.025
630 HG3 LYS 10 HG3 LYS 10 23.508 15.500 27.002
631 HD2 LYS 10 HD2 LYS 10 23.613 14.464 29.870
632 HD3 LYS 10 HD3 LYS 10 23.677 13.440 28.440
633 HE2 LYS 10 HE2 LYS 10 25.757 14.584 27.692
634 HE3 LYS 10 HE3 LYS 10 25.693 15.631 29.121
635 HZ1 LYS 10 HZ1 LYS 10 25.963 12.678 29.189
636 HZ2 LYS 10 HZ2 LYS 10 27.163 13.752 29.471
637 HZ3 LYS 10 HZ3 LYS 10 25.910 13.649 30.510
638 H ALA 11 H ALA 11 21.156 18.446 30.189
639 HA ALA 11 HA ALA 11 21.381 21.291 30.372
640 HB1 ALA 11 HB1 ALA 11 21.109 19.179 32.562
641 HB2 ALA 11 HB2 ALA 11 20.769 20.912 32.734
642 HB3 ALA 11 HB3 ALA 11 19.773 19.928 31.652
643 H ASP 12 H ASP 12 23.702 18.768 31.120
644 HA ASP 12 HA ASP 12 25.606 20.439 32.554
645 HB2 ASP 12 HB2 ASP 12 25.929 17.745 31.169
646 HB3 ASP 12 HB3 ASP 12 27.111 18.478 32.252
647 H GLY 13 H GLY 13 24.739 20.510 29.303
648 HA2 GLY 13 HA2 GLY 13 25.639 21.778 27.590
649 HA3 GLY 13 HA3 GLY 13 27.126 22.003 28.511
650 H GLY 14 H GLY 14 26.836 18.749 28.591
651 HA2 GLY 14 HA2 GLY 14 28.581 18.193 26.301
652 HA3 GLY 14 HA3 GLY 14 27.942 17.028 27.454
653 H ARG 15 H ARG 15 28.026 16.475 24.707
654 HA ARG 15 HA ARG 15 25.135 16.505 23.924
655 HB2 ARG 15 HB2 ARG 15 27.608 16.861 22.199
656 HB3 ARG 15 HB3 ARG 15 26.055 16.326 21.537
657 HG2 ARG 15 HG2 ARG 15 24.945 18.324 22.466
658 HG3 ARG 15 HG3 ARG 15 26.502 18.909 23.085
659 HD2 ARG 15 HD2 ARG 15 27.348 19.194 20.837
660 HD3 ARG 15 HD3 ARG 15 25.951 18.334 20.140
661 HE ARG 15 HE ARG 15 24.768 20.371 21.537
662 HH11 ARG 15 HH11 ARG 15 27.157 20.414 18.969
663 HH12 ARG 15 HH12 ARG 15 26.660 21.990 18.401
664 HH21 ARG 15 HH21 ARG 15 24.199 22.327 20.803
665 HH22 ARG 15 HH22 ARG 15 24.979 23.055 19.422
666 H VAL 16 H VAL 16 24.280 14.867 22.766
667 HA VAL 16 HA VAL 16 25.540 12.173 23.104
668 HB VAL 16 HB VAL 16 22.753 12.977 24.034
669 HG11 VAL 16 HG11 VAL 16 22.588 10.650 24.897
670 HG12 VAL 16 HG12 VAL 16 22.657 10.705 23.139
671 HG13 VAL 16 HG13 VAL 16 24.103 10.250 24.070
672 HG21 VAL 16 HG21 VAL 16 24.430 13.674 25.658
673 HG22 VAL 16 HG22 VAL 16 23.549 12.272 26.273
674 HG23 VAL 16 HG23 VAL 16 25.190 12.068 25.612
675 H GLU 17 H GLU 17 24.991 10.696 21.556
676 HA GLU 17 HA GLU 17 22.950 11.425 19.513
677 HB2 GLU 17 HB2 GLU 17 25.644 10.125 18.962
678 HB3 GLU 17 HB3 GLU 17 24.298 10.239 17.818
679 HG2 GLU 17 HG2 GLU 17 24.360 12.738 18.048
680 HG3 GLU 17 HG3 GLU 17 25.821 12.577 19.037
681 H ILE 18 H ILE 18 21.625 9.835 18.818
682 HA ILE 18 HA ILE 18 21.786 7.113 20.086
683 HB ILE 18 HB ILE 18 19.331 8.894 19.927
684 HG12 ILE 18 HG12 ILE 18 20.863 8.077 22.431
685 HG13 ILE 18 HG13 ILE 18 20.948 9.668 21.677
686 HG21 ILE 18 HG21 ILE 18 18.828 6.461 19.699
687 HG22 ILE 18 HG22 ILE 18 19.706 6.155 21.216
688 HG23 ILE 18 HG23 ILE 18 18.193 7.112 21.190
689 HD11 ILE 18 HD11 ILE 18 18.500 8.487 22.974
690 HD12 ILE 18 HD12 ILE 18 19.460 9.893 23.462
691 HD13 ILE 18 HD13 ILE 18 18.490 9.961 21.986
692 H GLY 19 H GLY 19 22.089 5.803 18.351
693 HA2 GLY 19 HA2 GLY 19 20.904 6.344 15.720
694 HA3 GLY 19 HA3 GLY 19 21.931 4.985 16.161
695 H ASP 20 H ASP 20 19.968 4.318 14.564
696 HA ASP 20 HA ASP 20 18.304 2.806 14.256
697 HB2 ASP 20 HB2 ASP 20 19.163 1.851 17.004
698 HB3 ASP 20 HB3 ASP 20 18.310 0.919 15.798
699 H VAL 21 H VAL 21 17.335 5.300 15.191
700 HA VAL 21 HA VAL 21 15.255 4.902 17.193
701 HB VAL 21 HB VAL 21 15.979 7.243 15.417
702 HG11 VAL 21 HG11 VAL 21 13.885 7.076 17.623
703 HG12 VAL 21 HG12 VAL 21 14.555 8.587 16.961
704 HG13 VAL 21 HG13 VAL 21 13.627 7.522 15.919
705 HG21 VAL 21 HG21 VAL 21 16.377 6.670 18.389
706 HG22 VAL 21 HG22 VAL 21 17.642 6.701 17.149
707 HG23 VAL 21 HG23 VAL 21 16.800 8.194 17.573
708 H LEU 22 H LEU 22 13.251 4.247 16.927
709 HA LEU 22 HA LEU 22 11.998 4.004 14.245
710 HB2 LEU 22 HB2 LEU 22 11.088 3.226 17.054
711 HB3 LEU 22 HB3 LEU 22 10.106 3.029 15.613
712 HG LEU 22 HG LEU 22 12.738 1.603 16.145
713 HD11 LEU 22 HD11 LEU 22 11.219 -0.395 16.306
714 HD12 LEU 22 HD12 LEU 22 10.928 0.812 17.578
715 HD13 LEU 22 HD13 LEU 22 9.831 0.689 16.190
716 HD21 LEU 22 HD21 LEU 22 12.384 1.901 13.713
717 HD22 LEU 22 HD22 LEU 22 12.141 0.210 14.185
718 HD23 LEU 22 HD23 LEU 22 10.750 1.258 13.862
719 H GLU 23 H GLU 23 11.684 5.947 17.273
720 HA GLU 23 HA GLU 23 9.900 7.804 15.848
721 HB2 GLU 23 HB2 GLU 23 8.439 5.891 16.610
722 HB3 GLU 23 HB3 GLU 23 8.898 6.258 18.280
723 HG2 GLU 23 HG2 GLU 23 7.874 8.494 18.072
724 HG3 GLU 23 HG3 GLU 23 7.526 8.186 16.358
725 H VAL 24 H VAL 24 9.611 9.764 16.800
726 HA VAL 24 HA VAL 24 10.870 10.351 19.424
727 HB VAL 24 HB VAL 24 11.213 12.052 16.928
728 HG11 VAL 24 HG11 VAL 24 12.793 13.357 18.312
729 HG12 VAL 24 HG12 VAL 24 11.179 13.390 19.022
730 HG13 VAL 24 HG13 VAL 24 12.417 12.327 19.712
731 HG21 VAL 24 HG21 VAL 24 12.641 10.098 16.713
732 HG22 VAL 24 HG22 VAL 24 13.639 11.479 17.162
733 HG23 VAL 24 HG23 VAL 24 13.201 10.285 18.393
734 H ARG 25 H ARG 25 9.653 11.711 20.689
735 HA ARG 25 HA ARG 25 7.320 13.192 19.500
736 HB2 ARG 25 HB2 ARG 25 7.190 11.431 21.978
737 HB3 ARG 25 HB3 ARG 25 5.894 12.446 21.350
738 HG2 ARG 25 HG2 ARG 25 5.835 11.027 19.286
739 HG3 ARG 25 HG3 ARG 25 7.073 9.972 20.015
740 HD2 ARG 25 HD2 ARG 25 5.520 9.679 21.988
741 HD3 ARG 25 HD3 ARG 25 4.262 10.519 21.056
742 HE ARG 25 HE ARG 25 5.096 8.497 19.360
743 HH11 ARG 25 HH11 ARG 25 3.627 8.519 22.540
744 HH12 ARG 25 HH12 ARG 25 3.142 6.845 22.410
745 HH21 ARG 25 HH21 ARG 25 4.701 6.342 19.380
746 HH22 ARG 25 HH22 ARG 25 3.666 5.664 20.635
747 H ALA 26 H ALA 26 7.333 15.244 20.120
748 HA ALA 26 HA ALA 26 8.617 16.088 22.673
749 HB1 ALA 26 HB1 ALA 26 9.177 17.335 20.586
750 HB2 ALA 26 HB2 ALA 26 7.470 17.769 20.411
751 HB3 ALA 26 HB3 ALA 26 8.384 18.349 21.808
752 H GLU 27 H GLU 27 7.377 16.456 24.443
753 HA GLU 27 HA GLU 27 4.595 17.325 24.253
754 HB2 GLU 27 HB2 GLU 27 3.600 15.436 25.420
755 HB3 GLU 27 HB3 GLU 27 4.231 14.966 23.843
756 HG2 GLU 27 HG2 GLU 27 6.232 13.975 24.966
757 HG3 GLU 27 HG3 GLU 27 5.544 14.411 26.539
758 H GLY 28 H GLY 28 3.734 18.145 26.153
759 HA2 GLY 28 HA2 GLY 28 3.658 19.054 28.249
760 HA3 GLY 28 HA3 GLY 28 4.818 17.835 28.782
761 H GLY 29 H GLY 29 7.068 18.254 28.366
762 HA2 GLY 29 HA2 GLY 29 8.102 20.887 27.689
763 HA3 GLY 29 HA3 GLY 29 8.261 20.498 29.413
764 H ALA 30 H ALA 30 8.396 17.959 26.960
765 HA ALA 30 HA ALA 30 11.333 17.657 27.218
766 HB1 ALA 30 HB1 ALA 30 11.018 15.362 28.098
767 HB2 ALA 30 HB2 ALA 30 10.219 16.512 29.187
768 HB3 ALA 30 HB3 ALA 30 9.250 15.571 28.042
769 H VAL 31 H VAL 31 12.185 15.913 25.897
770 HA VAL 31 HA VAL 31 10.360 14.989 23.709
771 HB VAL 31 HB VAL 31 13.345 15.447 23.396
772 HG11 VAL 31 HG11 VAL 31 11.222 14.393 21.473
773 HG12 VAL 31 HG12 VAL 31 12.825 14.942 20.971
774 HG13 VAL 31 HG13 VAL 31 12.682 13.535 22.030
775 HG21 VAL 31 HG21 VAL 31 12.036 17.545 23.337
776 HG22 VAL 31 HG22 VAL 31 12.633 17.145 21.726
777 HG23 VAL 31 HG23 VAL 31 10.938 16.846 22.132
778 H ARG 32 H ARG 32 10.190 12.897 23.336
779 HA ARG 32 HA ARG 32 11.880 10.951 24.873
780 HB2 ARG 32 HB2 ARG 32 8.903 10.904 24.223
781 HB3 ARG 32 HB3 ARG 32 9.802 9.468 24.707
782 HG2 ARG 32 HG2 ARG 32 10.418 10.485 26.845
783 HG3 ARG 32 HG3 ARG 32 9.630 12.008 26.399
784 HD2 ARG 32 HD2 ARG 32 7.458 10.930 26.336
785 HD3 ARG 32 HD3 ARG 32 8.186 9.342 26.595
786 HE ARG 32 HE ARG 32 9.051 10.456 28.811
787 HH11 ARG 32 HH11 ARG 32 5.823 11.106 27.503
788 HH12 ARG 32 HH12 ARG 32 5.134 11.150 29.108
789 HH21 ARG 32 HH21 ARG 32 8.093 10.637 30.773
790 HH22 ARG 32 HH22 ARG 32 6.379 10.942 30.886
791 H VAL 33 H VAL 33 12.387 9.026 23.889
792 HA VAL 33 HA VAL 33 12.152 8.877 20.917
793 HB VAL 33 HB VAL 33 14.723 8.373 22.415
794 HG11 VAL 33 HG11 VAL 33 14.679 7.120 20.371
795 HG12 VAL 33 HG12 VAL 33 14.130 8.539 19.456
796 HG13 VAL 33 HG13 VAL 33 15.764 8.485 20.156
797 HG21 VAL 33 HG21 VAL 33 14.294 10.807 22.511
798 HG22 VAL 33 HG22 VAL 33 15.617 10.453 21.405
799 HG23 VAL 33 HG23 VAL 33 14.002 10.829 20.758
800 H THR 34 H THR 34 12.011 6.841 20.072
801 HA THR 34 HA THR 34 12.290 4.470 21.914
802 HB THR 34 HB THR 34 10.250 4.850 19.692
803 HG1 THR 34 HG1 THR 34 9.736 5.958 21.580
804 HG21 THR 34 HG21 THR 34 9.295 2.707 20.587
805 HG22 THR 34 HG22 THR 34 10.876 2.477 19.835
806 HG23 THR 34 HG23 THR 34 10.731 2.520 21.609
807 H THR 35 H THR 35 13.596 2.890 21.192
808 HA THR 35 HA THR 35 14.778 3.094 18.440
809 HB THR 35 HB THR 35 16.658 1.852 19.239
810 HG1 THR 35 HG1 THR 35 15.446 1.873 21.785
811 HG21 THR 35 HG21 THR 35 16.050 4.042 21.268
812 HG22 THR 35 HG22 THR 35 17.641 3.378 20.837
813 HG23 THR 35 HG23 THR 35 16.717 4.289 19.635
814 H LEU 36 H LEU 36 15.381 1.063 17.339
815 HA LEU 36 HA LEU 36 13.186 -0.756 17.164
816 HB2 LEU 36 HB2 LEU 36 14.409 -1.893 15.486
817 HB3 LEU 36 HB3 LEU 36 14.655 -0.170 15.319
818 HG LEU 36 HG LEU 36 16.901 -0.569 16.608
819 HD11 LEU 36 HD11 LEU 36 16.359 -3.389 15.589
820 HD12 LEU 36 HD12 LEU 36 17.949 -2.769 16.087
821 HD13 LEU 36 HD13 LEU 36 16.664 -2.918 17.276
822 HD21 LEU 36 HD21 LEU 36 18.024 -1.084 14.465
823 HD22 LEU 36 HD22 LEU 36 16.494 -1.664 13.780
824 HD23 LEU 36 HD23 LEU 36 16.701 0.052 14.209
825 H PHE 37 H PHE 37 15.750 -0.796 19.429
826 HA PHE 37 HA PHE 37 15.628 -3.639 20.090
827 HB2 PHE 37 HB2 PHE 37 16.737 -1.302 21.687
828 HB3 PHE 37 HB3 PHE 37 17.081 -3.010 21.934
829 HD1 PHE 37 HD1 PHE 37 18.147 -0.014 20.278
830 HD2 PHE 37 HD2 PHE 37 18.173 -4.318 19.923
831 HE1 PHE 37 HE1 PHE 37 20.011 0.126 18.647
832 HE2 PHE 37 HE2 PHE 37 20.059 -4.163 18.311
833 HZ PHE 37 HZ PHE 37 20.977 -1.935 17.676
834 H ASP 38 H ASP 38 13.321 -1.336 20.409
835 HA ASP 38 HA ASP 38 11.563 -0.864 21.656
836 HB2 ASP 38 HB2 ASP 38 11.213 -3.374 21.461
837 HB3 ASP 38 HB3 ASP 38 11.841 -3.508 23.104
838 H GLU 39 H GLU 39 14.340 -0.281 22.608
839 HA GLU 39 HA GLU 39 13.900 0.267 25.481
840 HB2 GLU 39 HB2 GLU 39 16.145 -0.470 24.787
841 HB3 GLU 39 HB3 GLU 39 16.255 0.864 23.654
842 HG2 GLU 39 HG2 GLU 39 17.583 1.371 25.572
843 HG3 GLU 39 HG3 GLU 39 16.238 2.494 25.519
844 H GLU 40 H GLU 40 13.685 2.319 26.315
845 HA GLU 40 HA GLU 40 12.914 4.496 24.411
846 HB2 GLU 40 HB2 GLU 40 11.520 3.664 26.980
847 HB3 GLU 40 HB3 GLU 40 11.210 5.178 26.118
848 HG2 GLU 40 HG2 GLU 40 10.489 3.934 24.123
849 HG3 GLU 40 HG3 GLU 40 10.853 2.398 24.917
850 H HIS 41 H HIS 41 13.301 6.575 24.989
851 HA HIS 41 HA HIS 41 14.973 7.132 27.412
852 HB2 HIS 41 HB2 HIS 41 15.576 8.197 24.633
853 HB3 HIS 41 HB3 HIS 41 16.512 8.461 26.102
854 HD2 HIS 41 HD2 HIS 41 16.139 6.076 23.188
855 HE1 HIS 41 HE1 HIS 41 18.919 4.207 25.824
856 HE2 HIS 41 HE2 HIS 41 17.871 4.129 23.505
857 H ALA 42 H ALA 42 14.960 9.326 28.113
858 HA ALA 42 HA ALA 42 12.909 11.134 26.978
859 HB1 ALA 42 HB1 ALA 42 11.766 9.787 28.725
860 HB2 ALA 42 HB2 ALA 42 12.973 10.317 29.907
861 HB3 ALA 42 HB3 ALA 42 11.893 11.513 29.171
862 H PHE 43 H PHE 43 13.404 13.228 27.068
863 HA PHE 43 HA PHE 43 15.772 14.174 28.620
864 HB2 PHE 43 HB2 PHE 43 15.253 14.611 25.681
865 HB3 PHE 43 HB3 PHE 43 16.599 15.261 26.632
866 HD1 PHE 43 HD1 PHE 43 18.243 13.621 27.709
867 HD2 PHE 43 HD2 PHE 43 15.388 12.435 24.710
868 HE1 PHE 43 HE1 PHE 43 19.516 11.524 27.315
869 HE2 PHE 43 HE2 PHE 43 16.689 10.359 24.295
870 HZ PHE 43 HZ PHE 43 18.727 9.877 25.634
871 HA PRO 44 HA PRO 44 12.377 17.219 29.202
872 HB2 PRO 44 HB2 PRO 44 13.033 18.031 31.734
873 HB3 PRO 44 HB3 PRO 44 12.088 16.552 31.381
874 HG2 PRO 44 HG2 PRO 44 15.060 16.778 31.954
875 HG3 PRO 44 HG3 PRO 44 13.882 15.587 32.606
876 HD2 PRO 44 HD2 PRO 44 15.524 14.998 30.529
877 HD3 PRO 44 HD3 PRO 44 13.866 14.338 30.641
878 H GLY 45 H GLY 45 12.333 19.413 29.057
879 HA2 GLY 45 HA2 GLY 45 13.113 21.609 28.948
880 HA3 GLY 45 HA3 GLY 45 14.767 21.068 29.220
881 H LEU 46 H LEU 46 13.372 19.182 26.778
882 HA LEU 46 HA LEU 46 14.609 20.843 24.635
883 HB2 LEU 46 HB2 LEU 46 14.247 17.833 24.747
884 HB3 LEU 46 HB3 LEU 46 14.985 18.736 23.423
885 HG LEU 46 HG LEU 46 16.122 18.462 26.234
886 HD11 LEU 46 HD11 LEU 46 17.826 17.118 25.159
887 HD12 LEU 46 HD12 LEU 46 16.241 16.479 24.673
888 HD13 LEU 46 HD13 LEU 46 17.179 17.473 23.548
889 HD21 LEU 46 HD21 LEU 46 17.223 19.887 23.772
890 HD22 LEU 46 HD22 LEU 46 16.766 20.658 25.310
891 HD23 LEU 46 HD23 LEU 46 18.147 19.553 25.253
892 H ALA 47 H ALA 47 13.824 20.687 22.540
893 HA ALA 47 HA ALA 47 11.173 19.538 21.977
894 HB1 ALA 47 HB1 ALA 47 10.652 21.881 22.538
895 HB2 ALA 47 HB2 ALA 47 11.890 22.446 21.391
896 HB3 ALA 47 HB3 ALA 47 10.451 21.599 20.793
897 H ILE 48 H ILE 48 10.901 19.260 19.575
898 HA ILE 48 HA ILE 48 13.422 18.460 18.326
899 HB ILE 48 HB ILE 48 10.615 18.467 17.197
900 HG12 ILE 48 HG12 ILE 48 12.140 16.003 18.154
901 HG13 ILE 48 HG13 ILE 48 11.145 16.924 19.268
902 HG21 ILE 48 HG21 ILE 48 13.181 17.134 16.194
903 HG22 ILE 48 HG22 ILE 48 11.570 16.860 15.522
904 HG23 ILE 48 HG23 ILE 48 12.298 18.460 15.410
905 HD11 ILE 48 HD11 ILE 48 10.147 15.556 16.742
906 HD12 ILE 48 HD12 ILE 48 9.798 15.119 18.424
907 HD13 ILE 48 HD13 ILE 48 9.168 16.633 17.766
908 H GLY 49 H GLY 49 14.703 19.724 17.129
909 HA2 GLY 49 HA2 GLY 49 13.877 22.497 16.503
910 HA3 GLY 49 HA3 GLY 49 15.514 21.836 16.523
911 H ARG 50 H ARG 50 15.348 19.702 14.753
912 HA ARG 50 HA ARG 50 14.044 20.455 12.251
913 HB2 ARG 50 HB2 ARG 50 15.991 20.805 10.903
914 HB3 ARG 50 HB3 ARG 50 15.938 22.016 12.177
915 HG2 ARG 50 HG2 ARG 50 17.750 20.858 13.367
916 HG3 ARG 50 HG3 ARG 50 17.695 19.533 12.185
917 HD2 ARG 50 HD2 ARG 50 18.015 21.661 10.494
918 HD3 ARG 50 HD3 ARG 50 18.818 22.305 11.920
919 HE ARG 50 HE ARG 50 19.533 19.916 10.271
920 HH11 ARG 50 HH11 ARG 50 21.485 19.116 10.324
921 HH12 ARG 50 HH12 ARG 50 22.705 19.664 11.480
922 HH21 ARG 50 HH21 ARG 50 20.572 21.932 12.985
923 HH22 ARG 50 HH22 ARG 50 22.174 21.238 12.961
924 H VAL 51 H VAL 51 14.518 18.981 10.464
925 HA VAL 51 HA VAL 51 15.818 16.446 11.220
926 HB VAL 51 HB VAL 51 13.204 16.264 9.711
927 HG11 VAL 51 HG11 VAL 51 14.775 14.455 9.376
928 HG12 VAL 51 HG12 VAL 51 14.975 14.246 11.116
929 HG13 VAL 51 HG13 VAL 51 13.410 13.886 10.342
930 HG21 VAL 51 HG21 VAL 51 13.592 15.842 12.697
931 HG22 VAL 51 HG22 VAL 51 12.573 17.082 11.926
932 HG23 VAL 51 HG23 VAL 51 12.159 15.375 11.745
933 H ASP 52 H ASP 52 17.288 15.966 9.791
934 HA ASP 52 HA ASP 52 17.245 17.196 7.061
935 HB2 ASP 52 HB2 ASP 52 19.523 15.916 8.600
936 HB3 ASP 52 HB3 ASP 52 19.631 16.703 7.028
937 H LEU 53 H LEU 53 15.761 15.666 6.078
938 HA LEU 53 HA LEU 53 16.237 12.820 6.214
939 HB2 LEU 53 HB2 LEU 53 14.613 14.332 4.122
940 HB3 LEU 53 HB3 LEU 53 14.616 12.613 4.410
941 HG LEU 53 HG LEU 53 12.629 13.422 5.284
942 HD11 LEU 53 HD11 LEU 53 13.658 11.715 6.672
943 HD12 LEU 53 HD12 LEU 53 14.495 12.951 7.638
944 HD13 LEU 53 HD13 LEU 53 12.727 12.839 7.674
945 HD21 LEU 53 HD21 LEU 53 14.002 15.403 7.123
946 HD22 LEU 53 HD22 LEU 53 13.283 15.819 5.548
947 HD23 LEU 53 HD23 LEU 53 12.270 15.170 6.838
948 H ARG 54 H ARG 54 17.890 15.210 4.494
949 HA ARG 54 HA ARG 54 19.109 13.717 2.353
950 HB2 ARG 54 HB2 ARG 54 20.236 15.897 4.164
951 HB3 ARG 54 HB3 ARG 54 20.981 15.348 2.658
952 HG2 ARG 54 HG2 ARG 54 18.981 16.079 1.389
953 HG3 ARG 54 HG3 ARG 54 18.243 16.689 2.877
954 HD2 ARG 54 HD2 ARG 54 20.853 17.662 1.649
955 HD3 ARG 54 HD3 ARG 54 19.290 18.471 1.538
956 HE ARG 54 HE ARG 54 19.328 18.920 3.933
957 HH11 ARG 54 HH11 ARG 54 22.483 17.861 2.763
958 HH12 ARG 54 HH12 ARG 54 23.275 18.538 4.155
959 HH21 ARG 54 HH21 ARG 54 20.312 19.672 5.545
960 HH22 ARG 54 HH22 ARG 54 22.066 19.539 5.767
961 H SER 55 H SER 55 19.536 13.502 5.814
962 HA SER 55 HA SER 55 21.752 11.526 5.478
963 HB2 SER 55 HB2 SER 55 22.592 13.811 6.026
964 HB3 SER 55 HB3 SER 55 21.619 13.791 7.502
965 HG SER 55 HG SER 55 23.843 12.166 6.816
966 H GLY 56 H GLY 56 18.764 12.282 7.073
967 HA2 GLY 56 HA2 GLY 56 17.414 10.847 8.328
968 HA3 GLY 56 HA3 GLY 56 18.748 9.707 8.517
969 H VAL 57 H VAL 57 19.242 13.103 9.273
970 HA VAL 57 HA VAL 57 19.653 12.400 12.132
971 HB VAL 57 HB VAL 57 20.507 14.864 10.587
972 HG11 VAL 57 HG11 VAL 57 20.180 15.469 12.940
973 HG12 VAL 57 HG12 VAL 57 21.059 14.014 13.474
974 HG13 VAL 57 HG13 VAL 57 21.908 15.322 12.618
975 HG21 VAL 57 HG21 VAL 57 22.790 13.922 10.906
976 HG22 VAL 57 HG22 VAL 57 22.063 12.457 11.627
977 HG23 VAL 57 HG23 VAL 57 21.767 12.859 9.930
978 H ILE 58 H ILE 58 18.188 12.811 13.569
979 HA ILE 58 HA ILE 58 16.239 15.060 13.282
980 HB ILE 58 HB ILE 58 16.360 12.606 15.069
981 HG12 ILE 58 HG12 ILE 58 14.163 13.555 13.190
982 HG13 ILE 58 HG13 ILE 58 15.429 12.417 12.725
983 HG21 ILE 58 HG21 ILE 58 14.249 13.448 16.143
984 HG22 ILE 58 HG22 ILE 58 15.645 14.412 16.520
985 HG23 ILE 58 HG23 ILE 58 14.468 14.998 15.314
986 HD11 ILE 58 HD11 ILE 58 13.261 11.964 14.786
987 HD12 ILE 58 HD12 ILE 58 13.528 11.130 13.250
988 HD13 ILE 58 HD13 ILE 58 14.671 10.891 14.582
989 H SER 59 H SER 59 16.670 16.904 14.412
990 HA SER 59 HA SER 59 18.873 16.861 16.450
991 HB2 SER 59 HB2 SER 59 19.443 18.003 14.326
992 HB3 SER 59 HB3 SER 59 18.059 19.084 14.591
993 HG SER 59 HG SER 59 20.140 19.910 15.351
994 H LEU 60 H LEU 60 18.362 17.391 18.442
995 HA LEU 60 HA LEU 60 15.779 18.762 19.066
996 HB2 LEU 60 HB2 LEU 60 17.653 16.954 20.611
997 HB3 LEU 60 HB3 LEU 60 16.491 17.977 21.429
998 HG LEU 60 HG LEU 60 14.625 16.854 20.575
999 HD11 LEU 60 HD11 LEU 60 15.125 16.469 18.245
1000 HD12 LEU 60 HD12 LEU 60 16.463 15.372 18.672
1001 HD13 LEU 60 HD13 LEU 60 14.770 14.914 18.989
1002 HD21 LEU 60 HD21 LEU 60 16.796 14.783 21.168
1003 HD22 LEU 60 HD22 LEU 60 15.830 15.666 22.374
1004 HD23 LEU 60 HD23 LEU 60 15.054 14.502 21.303
1005 H ILE 61 H ILE 61 15.699 20.529 20.356
1006 HA ILE 61 HA ILE 61 18.174 22.000 21.124
1007 HB ILE 61 HB ILE 61 17.201 24.093 20.239
1008 HG12 ILE 61 HG12 ILE 61 15.587 23.824 18.243
1009 HG13 ILE 61 HG13 ILE 61 15.096 22.295 18.963
1010 HG21 ILE 61 HG21 ILE 61 17.674 22.018 18.082
1011 HG22 ILE 61 HG22 ILE 61 17.945 23.775 17.979
1012 HG23 ILE 61 HG23 ILE 61 18.946 22.801 19.051
1013 HD11 ILE 61 HD11 ILE 61 14.268 23.515 20.948
1014 HD12 ILE 61 HD12 ILE 61 14.927 25.038 20.294
1015 HD13 ILE 61 HD13 ILE 61 13.593 24.213 19.478
1016 H GLU 62 H GLU 62 17.768 23.752 22.714
1017 HA GLU 62 HA GLU 62 16.085 22.823 24.829
1018 HB2 GLU 62 HB2 GLU 62 17.364 25.573 24.513
1019 HB3 GLU 62 HB3 GLU 62 16.698 24.843 25.979
1020 HG2 GLU 62 HG2 GLU 62 18.874 24.393 26.362
1021 HG3 GLU 62 HG3 GLU 62 18.430 22.909 25.531
1022 H GLU 63 H GLU 63 14.039 23.278 25.425
1023 HA GLU 63 HA GLU 63 12.262 24.504 23.508
1024 HB2 GLU 63 HB2 GLU 63 10.495 23.768 24.875
1025 HB3 GLU 63 HB3 GLU 63 11.723 22.529 24.840
1026 HG2 GLU 63 HG2 GLU 63 11.419 22.421 27.061
1027 HG3 GLU 63 HG3 GLU 63 12.502 23.801 27.120
1028 H GLN 64 H GLN 64 14.034 25.889 26.031
1029 HA GLN 64 HA GLN 64 12.918 28.522 25.292
1030 HB2 GLN 64 HB2 GLN 64 13.508 27.643 28.153
1031 HB3 GLN 64 HB3 GLN 64 13.404 29.333 27.660
1032 HG2 GLN 64 HG2 GLN 64 11.069 29.079 26.991
1033 HG3 GLN 64 HG3 GLN 64 11.136 27.345 27.282
1034 HE21 GLN 64 HE21 GLN 64 10.595 26.577 29.312
1035 HE22 GLN 64 HE22 GLN 64 10.388 27.625 30.724
1036 H ASN 65 H ASN 65 14.503 29.952 24.775
1037 HA ASN 65 HA ASN 65 17.196 28.839 24.501
1038 HB2 ASN 65 HB2 ASN 65 16.091 31.492 23.512
1039 HB3 ASN 65 HB3 ASN 65 17.571 30.692 22.980
1040 HD21 ASN 65 HD21 ASN 65 16.659 28.000 22.608
1041 HD22 ASN 65 HD22 ASN 65 15.464 28.042 21.323
1042 H ARG 66 H ARG 66 15.995 30.273 27.123
1043 HA ARG 66 HA ARG 66 18.585 31.333 28.021
1044 HB2 ARG 66 HB2 ARG 66 17.708 33.468 28.776
1045 HB3 ARG 66 HB3 ARG 66 17.544 33.312 27.032
1046 HG2 ARG 66 HG2 ARG 66 15.112 32.726 27.338
1047 HG3 ARG 66 HG3 ARG 66 15.283 33.004 29.081
1048 HD2 ARG 66 HD2 ARG 66 15.815 35.056 26.901
1049 HD3 ARG 66 HD3 ARG 66 14.316 34.930 27.820
1050 HE ARG 66 HE ARG 66 16.354 35.154 29.727
1051 HH11 ARG 66 HH11 ARG 66 16.507 38.564 29.998
1052 HH12 ARG 66 HH12 ARG 66 16.900 37.039 30.733
1053 HH21 ARG 66 HH21 ARG 66 15.013 37.207 27.227
1054 HH22 ARG 66 HH22 ARG 66 15.465 38.669 28.065
Start of MODEL 3
1 H1 GLY -3 H1 GLY -3 23.522 0.781 -7.866
2 H2 GLY -3 H2 GLY -3 24.411 1.980 -8.546
3 H3 GLY -3 H3 GLY -3 22.889 2.277 -8.024
4 HA2 GLY -3 HA2 GLY -3 25.175 1.570 -6.302
5 HA3 GLY -3 HA3 GLY -3 24.480 3.195 -6.473
6 HA PRO -2 HA PRO -2 22.388 1.377 -2.806
7 HB2 PRO -2 HB2 PRO -2 21.781 3.713 -1.535
8 HB3 PRO -2 HB3 PRO -2 23.422 2.996 -1.520
9 HG2 PRO -2 HG2 PRO -2 22.361 5.172 -3.354
10 HG3 PRO -2 HG3 PRO -2 23.875 5.176 -2.383
11 HD2 PRO -2 HD2 PRO -2 23.867 4.488 -5.014
12 HD3 PRO -2 HD3 PRO -2 24.918 3.627 -3.836
13 H GLY -1 H GLY -1 20.212 1.299 -2.097
14 HA2 GLY -1 HA2 GLY -1 18.185 1.967 -4.145
15 HA3 GLY -1 HA3 GLY -1 17.977 0.950 -2.727
16 H SER 0 H SER 0 19.261 3.184 -1.097
17 HA SER 0 HA SER 0 18.687 4.842 0.293
18 HB2 SER 0 HB2 SER 0 18.544 6.244 -1.662
19 HB3 SER 0 HB3 SER 0 16.849 5.813 -1.908
20 HG SER 0 HG SER 0 17.312 7.845 -0.766
21 H MET 1 H MET 1 17.203 5.582 1.856
22 HA MET 1 HA MET 1 14.931 3.790 2.419
23 HB2 MET 1 HB2 MET 1 14.749 4.912 4.529
24 HB3 MET 1 HB3 MET 1 16.440 4.538 4.247
25 HG2 MET 1 HG2 MET 1 16.773 6.915 3.454
26 HG3 MET 1 HG3 MET 1 15.103 7.264 3.883
27 HE1 MET 1 HE1 MET 1 15.021 7.146 7.733
28 HE2 MET 1 HE2 MET 1 14.133 7.417 6.221
29 HE3 MET 1 HE3 MET 1 14.627 5.772 6.690
30 H CYS 2 H CYS 2 15.414 6.506 0.627
31 HA CYS 2 HA CYS 2 14.227 8.095 -0.415
32 HB2 CYS 2 HB2 CYS 2 11.810 6.361 0.209
33 HB3 CYS 2 HB3 CYS 2 11.841 7.686 -0.953
34 HG CYS 2 HG CYS 2 13.615 6.740 -2.567
35 H MET 3 H MET 3 12.629 9.841 -0.289
36 HA MET 3 HA MET 3 12.915 11.239 2.194
37 HB2 MET 3 HB2 MET 3 11.344 11.816 -0.343
38 HB3 MET 3 HB3 MET 3 11.340 12.890 1.056
39 HG2 MET 3 HG2 MET 3 12.969 13.797 -0.336
40 HG3 MET 3 HG3 MET 3 13.856 12.959 0.935
41 HE1 MET 3 HE1 MET 3 12.185 11.850 -2.562
42 HE2 MET 3 HE2 MET 3 13.078 13.372 -2.792
43 HE3 MET 3 HE3 MET 3 13.652 11.878 -3.557
44 H ALA 4 H ALA 4 11.420 12.039 3.628
45 HA ALA 4 HA ALA 4 9.056 10.408 4.273
46 HB1 ALA 4 HB1 ALA 4 10.274 12.902 5.557
47 HB2 ALA 4 HB2 ALA 4 9.039 11.867 6.276
48 HB3 ALA 4 HB3 ALA 4 10.654 11.218 5.994
49 H LYS 5 H LYS 5 7.206 12.002 5.175
50 HA LYS 5 HA LYS 5 6.801 14.369 3.417
51 HB2 LYS 5 HB2 LYS 5 4.442 14.017 3.183
52 HB3 LYS 5 HB3 LYS 5 5.298 12.624 2.530
53 HG2 LYS 5 HG2 LYS 5 4.738 11.298 4.511
54 HG3 LYS 5 HG3 LYS 5 3.988 12.709 5.284
55 HD2 LYS 5 HD2 LYS 5 2.352 12.853 3.422
56 HD3 LYS 5 HD3 LYS 5 3.059 11.387 2.708
57 HE2 LYS 5 HE2 LYS 5 2.467 10.088 4.700
58 HE3 LYS 5 HE3 LYS 5 1.873 11.543 5.514
59 HZ1 LYS 5 HZ1 LYS 5 0.172 11.745 3.800
60 HZ2 LYS 5 HZ2 LYS 5 0.707 10.401 3.035
61 HZ3 LYS 5 HZ3 LYS 5 0.040 10.291 4.528
62 H VAL 6 H VAL 6 5.618 16.078 4.348
63 HA VAL 6 HA VAL 6 5.562 16.072 7.339
64 HB VAL 6 HB VAL 6 5.417 18.518 5.581
65 HG11 VAL 6 HG11 VAL 6 4.539 18.923 7.819
66 HG12 VAL 6 HG12 VAL 6 5.984 18.180 8.552
67 HG13 VAL 6 HG13 VAL 6 6.103 19.701 7.647
68 HG21 VAL 6 HG21 VAL 6 7.782 18.926 6.256
69 HG22 VAL 6 HG22 VAL 6 7.860 17.276 6.895
70 HG23 VAL 6 HG23 VAL 6 7.581 17.559 5.154
71 H VAL 7 H VAL 7 3.671 16.572 8.444
72 HA VAL 7 HA VAL 7 1.294 17.437 6.890
73 HB VAL 7 HB VAL 7 1.026 15.043 7.183
74 HG11 VAL 7 HG11 VAL 7 1.063 15.529 10.191
75 HG12 VAL 7 HG12 VAL 7 0.667 14.009 9.371
76 HG13 VAL 7 HG13 VAL 7 2.306 14.667 9.266
77 HG21 VAL 7 HG21 VAL 7 -0.912 16.498 9.023
78 HG22 VAL 7 HG22 VAL 7 -0.969 16.543 7.246
79 HG23 VAL 7 HG23 VAL 7 -1.200 15.006 8.109
80 H LEU 8 H LEU 8 -0.050 18.882 7.852
81 HA LEU 8 HA LEU 8 0.372 19.667 10.659
82 HB2 LEU 8 HB2 LEU 8 0.856 21.962 10.203
83 HB3 LEU 8 HB3 LEU 8 2.018 20.935 9.385
84 HG LEU 8 HG LEU 8 0.412 21.279 7.286
85 HD11 LEU 8 HD11 LEU 8 -0.467 23.617 7.228
86 HD12 LEU 8 HD12 LEU 8 -1.331 22.647 8.406
87 HD13 LEU 8 HD13 LEU 8 -0.091 23.797 8.956
88 HD21 LEU 8 HD21 LEU 8 1.797 23.198 6.618
89 HD22 LEU 8 HD22 LEU 8 2.322 23.421 8.295
90 HD23 LEU 8 HD23 LEU 8 2.771 21.951 7.396
91 H THR 9 H THR 9 -1.245 21.068 11.510
92 HA THR 9 HA THR 9 -3.871 20.923 10.077
93 HB THR 9 HB THR 9 -3.497 21.074 13.080
94 HG1 THR 9 HG1 THR 9 -2.703 19.114 12.334
95 HG21 THR 9 HG21 THR 9 -5.888 20.318 11.324
96 HG22 THR 9 HG22 THR 9 -5.846 20.258 13.100
97 HG23 THR 9 HG23 THR 9 -5.724 21.817 12.272
98 H LYS 10 H LYS 10 -4.923 22.741 9.669
99 HA LYS 10 HA LYS 10 -3.705 25.372 10.191
100 HB2 LYS 10 HB2 LYS 10 -6.229 24.542 8.702
101 HB3 LYS 10 HB3 LYS 10 -5.535 26.168 8.726
102 HG2 LYS 10 HG2 LYS 10 -3.427 25.220 7.699
103 HG3 LYS 10 HG3 LYS 10 -4.276 23.682 7.498
104 HD2 LYS 10 HD2 LYS 10 -5.163 26.351 6.322
105 HD3 LYS 10 HD3 LYS 10 -4.247 25.119 5.452
106 HE2 LYS 10 HE2 LYS 10 -6.098 23.501 5.749
107 HE3 LYS 10 HE3 LYS 10 -7.033 24.705 6.642
108 HZ1 LYS 10 HZ1 LYS 10 -7.691 24.631 4.309
109 HZ2 LYS 10 HZ2 LYS 10 -7.038 26.095 4.648
110 HZ3 LYS 10 HZ3 LYS 10 -6.177 24.987 3.812
111 H ALA 11 H ALA 11 -4.948 27.177 10.999
112 HA ALA 11 HA ALA 11 -6.331 26.770 13.460
113 HB1 ALA 11 HB1 ALA 11 -5.089 28.823 12.857
114 HB2 ALA 11 HB2 ALA 11 -6.286 29.181 11.585
115 HB3 ALA 11 HB3 ALA 11 -6.774 29.197 13.292
116 H ASP 12 H ASP 12 -7.534 26.812 10.172
117 HA ASP 12 HA ASP 12 -10.362 27.060 10.812
118 HB2 ASP 12 HB2 ASP 12 -8.967 25.988 8.331
119 HB3 ASP 12 HB3 ASP 12 -10.678 26.395 8.453
120 H GLY 13 H GLY 13 -8.236 24.518 11.450
121 HA2 GLY 13 HA2 GLY 13 -8.672 22.421 12.314
122 HA3 GLY 13 HA3 GLY 13 -10.371 22.538 11.850
123 H GLY 14 H GLY 14 -8.897 23.301 9.043
124 HA2 GLY 14 HA2 GLY 14 -8.981 20.629 7.846
125 HA3 GLY 14 HA3 GLY 14 -8.555 22.136 7.045
126 H ARG 15 H ARG 15 -7.092 19.918 6.442
127 HA ARG 15 HA ARG 15 -4.460 20.334 7.816
128 HB2 ARG 15 HB2 ARG 15 -5.837 17.721 7.142
129 HB3 ARG 15 HB3 ARG 15 -4.089 17.840 7.401
130 HG2 ARG 15 HG2 ARG 15 -4.440 18.832 9.610
131 HG3 ARG 15 HG3 ARG 15 -6.197 18.698 9.421
132 HD2 ARG 15 HD2 ARG 15 -6.123 16.317 9.466
133 HD3 ARG 15 HD3 ARG 15 -4.343 16.303 9.326
134 HE ARG 15 HE ARG 15 -4.666 17.777 11.564
135 HH11 ARG 15 HH11 ARG 15 -5.996 14.611 10.817
136 HH12 ARG 15 HH12 ARG 15 -6.028 14.148 12.501
137 HH21 ARG 15 HH21 ARG 15 -4.720 17.133 13.628
138 HH22 ARG 15 HH22 ARG 15 -5.319 15.547 14.063
139 H VAL 16 H VAL 16 -2.611 19.926 6.752
140 HA VAL 16 HA VAL 16 -2.660 19.981 3.754
141 HB VAL 16 HB VAL 16 -1.120 21.844 5.597
142 HG11 VAL 16 HG11 VAL 16 -0.265 22.917 3.537
143 HG12 VAL 16 HG12 VAL 16 0.343 21.273 3.728
144 HG13 VAL 16 HG13 VAL 16 -0.975 21.605 2.571
145 HG21 VAL 16 HG21 VAL 16 -3.263 22.410 3.516
146 HG22 VAL 16 HG22 VAL 16 -3.443 22.571 5.267
147 HG23 VAL 16 HG23 VAL 16 -2.341 23.639 4.410
148 H GLU 17 H GLU 17 -0.971 18.924 2.766
149 HA GLU 17 HA GLU 17 1.071 17.584 4.462
150 HB2 GLU 17 HB2 GLU 17 -0.509 16.281 2.216
151 HB3 GLU 17 HB3 GLU 17 0.892 15.573 3.020
152 HG2 GLU 17 HG2 GLU 17 -0.301 15.563 5.158
153 HG3 GLU 17 HG3 GLU 17 -1.714 16.323 4.424
154 H ILE 18 H ILE 18 3.071 17.246 3.548
155 HA ILE 18 HA ILE 18 3.651 18.440 0.851
156 HB ILE 18 HB ILE 18 5.259 18.866 3.387
157 HG12 ILE 18 HG12 ILE 18 3.812 21.004 1.761
158 HG13 ILE 18 HG13 ILE 18 3.102 20.260 3.183
159 HG21 ILE 18 HG21 ILE 18 6.696 20.321 1.995
160 HG22 ILE 18 HG22 ILE 18 6.699 18.672 1.386
161 HG23 ILE 18 HG23 ILE 18 5.727 19.920 0.569
162 HD11 ILE 18 HD11 ILE 18 4.051 22.296 3.892
163 HD12 ILE 18 HD12 ILE 18 5.046 20.989 4.560
164 HD13 ILE 18 HD13 ILE 18 5.625 21.925 3.163
165 H GLY 19 H GLY 19 4.048 16.632 -0.269
166 HA2 GLY 19 HA2 GLY 19 5.322 14.268 0.842
167 HA3 GLY 19 HA3 GLY 19 4.826 14.517 -0.830
168 H ASP 20 H ASP 20 7.189 13.250 0.075
169 HA ASP 20 HA ASP 20 9.376 13.049 -0.326
170 HB2 ASP 20 HB2 ASP 20 8.674 14.720 -2.742
171 HB3 ASP 20 HB3 ASP 20 10.101 13.679 -2.574
172 H VAL 21 H VAL 21 9.208 14.741 1.654
173 HA VAL 21 HA VAL 21 10.549 17.280 1.207
174 HB VAL 21 HB VAL 21 8.795 16.914 2.917
175 HG11 VAL 21 HG11 VAL 21 10.938 15.596 4.603
176 HG12 VAL 21 HG12 VAL 21 9.268 15.934 5.062
177 HG13 VAL 21 HG13 VAL 21 9.621 14.714 3.829
178 HG21 VAL 21 HG21 VAL 21 11.436 17.944 4.003
179 HG22 VAL 21 HG22 VAL 21 10.269 18.858 3.018
180 HG23 VAL 21 HG23 VAL 21 9.833 18.290 4.626
181 H LEU 22 H LEU 22 12.613 17.877 1.496
182 HA LEU 22 HA LEU 22 14.681 15.784 1.928
183 HB2 LEU 22 HB2 LEU 22 14.857 18.688 1.048
184 HB3 LEU 22 HB3 LEU 22 16.229 17.602 1.205
185 HG LEU 22 HG LEU 22 13.947 17.268 -0.782
186 HD11 LEU 22 HD11 LEU 22 15.744 17.831 -2.426
187 HD12 LEU 22 HD12 LEU 22 15.401 19.169 -1.311
188 HD13 LEU 22 HD13 LEU 22 16.850 18.162 -1.090
189 HD21 LEU 22 HD21 LEU 22 14.957 15.076 -0.139
190 HD22 LEU 22 HD22 LEU 22 15.346 15.523 -1.800
191 HD23 LEU 22 HD23 LEU 22 16.568 15.716 -0.538
192 H GLU 23 H GLU 23 13.497 18.847 3.410
193 HA GLU 23 HA GLU 23 14.937 18.188 5.887
194 HB2 GLU 23 HB2 GLU 23 16.683 19.216 4.572
195 HB3 GLU 23 HB3 GLU 23 15.656 20.608 4.183
196 HG2 GLU 23 HG2 GLU 23 15.685 21.362 6.492
197 HG3 GLU 23 HG3 GLU 23 16.482 19.879 7.017
198 H VAL 24 H VAL 24 14.191 19.223 7.690
199 HA VAL 24 HA VAL 24 12.082 21.291 7.447
200 HB VAL 24 HB VAL 24 11.795 18.911 9.305
201 HG11 VAL 24 HG11 VAL 24 10.654 20.987 10.072
202 HG12 VAL 24 HG12 VAL 24 9.811 21.084 8.518
203 HG13 VAL 24 HG13 VAL 24 9.501 19.732 9.626
204 HG21 VAL 24 HG21 VAL 24 10.431 19.425 6.665
205 HG22 VAL 24 HG22 VAL 24 11.448 18.028 7.079
206 HG23 VAL 24 HG23 VAL 24 9.871 18.242 7.844
207 H ARG 25 H ARG 25 12.158 22.841 8.998
208 HA ARG 25 HA ARG 25 14.079 22.568 11.296
209 HB2 ARG 25 HB2 ARG 25 13.930 24.960 9.416
210 HB3 ARG 25 HB3 ARG 25 14.894 24.845 10.879
211 HG2 ARG 25 HG2 ARG 25 16.215 23.007 9.867
212 HG3 ARG 25 HG3 ARG 25 15.251 23.121 8.383
213 HD2 ARG 25 HD2 ARG 25 15.978 25.512 8.138
214 HD3 ARG 25 HD3 ARG 25 17.014 25.321 9.562
215 HE ARG 25 HE ARG 25 17.724 23.235 7.800
216 HH11 ARG 25 HH11 ARG 25 17.920 26.744 7.689
217 HH12 ARG 25 HH12 ARG 25 19.243 26.689 6.544
218 HH21 ARG 25 HH21 ARG 25 19.263 23.239 6.390
219 HH22 ARG 25 HH22 ARG 25 20.017 24.730 5.822
220 H ALA 26 H ALA 26 13.373 23.400 13.172
221 HA ALA 26 HA ALA 26 10.960 25.165 13.202
222 HB1 ALA 26 HB1 ALA 26 11.703 22.930 15.136
223 HB2 ALA 26 HB2 ALA 26 10.284 23.999 15.258
224 HB3 ALA 26 HB3 ALA 26 10.422 22.861 13.903
225 H GLU 27 H GLU 27 11.349 27.098 14.024
226 HA GLU 27 HA GLU 27 13.162 27.555 16.292
227 HB2 GLU 27 HB2 GLU 27 14.765 27.452 14.506
228 HB3 GLU 27 HB3 GLU 27 13.852 28.540 13.490
229 HG2 GLU 27 HG2 GLU 27 14.960 29.367 16.209
230 HG3 GLU 27 HG3 GLU 27 15.949 29.381 14.759
231 H GLY 28 H GLY 28 12.666 29.436 17.405
232 HA2 GLY 28 HA2 GLY 28 11.533 31.324 18.027
233 HA3 GLY 28 HA3 GLY 28 11.573 31.782 16.323
234 H GLY 29 H GLY 29 9.808 28.894 17.260
235 HA2 GLY 29 HA2 GLY 29 7.549 28.396 17.385
236 HA3 GLY 29 HA3 GLY 29 7.162 30.114 17.460
237 H ALA 30 H ALA 30 9.127 28.955 14.762
238 HA ALA 30 HA ALA 30 6.751 28.631 13.013
239 HB1 ALA 30 HB1 ALA 30 9.130 30.458 12.427
240 HB2 ALA 30 HB2 ALA 30 7.816 30.068 11.291
241 HB3 ALA 30 HB3 ALA 30 7.472 30.979 12.774
242 H VAL 31 H VAL 31 6.937 27.191 11.372
243 HA VAL 31 HA VAL 31 9.461 25.575 11.319
244 HB VAL 31 HB VAL 31 6.627 24.686 10.705
245 HG11 VAL 31 HG11 VAL 31 8.101 23.483 9.175
246 HG12 VAL 31 HG12 VAL 31 9.278 23.182 10.485
247 HG13 VAL 31 HG13 VAL 31 7.693 22.403 10.503
248 HG21 VAL 31 HG21 VAL 31 8.644 23.922 12.857
249 HG22 VAL 31 HG22 VAL 31 7.187 24.897 13.095
250 HG23 VAL 31 HG23 VAL 31 7.032 23.199 12.641
251 H ARG 32 H ARG 32 10.535 25.165 9.516
252 HA ARG 32 HA ARG 32 9.594 26.282 6.902
253 HB2 ARG 32 HB2 ARG 32 12.441 26.095 7.942
254 HB3 ARG 32 HB3 ARG 32 11.980 26.524 6.311
255 HG2 ARG 32 HG2 ARG 32 12.528 28.526 7.416
256 HG3 ARG 32 HG3 ARG 32 10.771 28.555 7.191
257 HD2 ARG 32 HD2 ARG 32 10.369 28.242 9.500
258 HD3 ARG 32 HD3 ARG 32 11.982 27.542 9.772
259 HE ARG 32 HE ARG 32 12.243 30.265 8.900
260 HH11 ARG 32 HH11 ARG 32 11.189 28.533 11.792
261 HH12 ARG 32 HH12 ARG 32 11.910 29.726 12.832
262 HH21 ARG 32 HH21 ARG 32 13.179 31.695 10.366
263 HH22 ARG 32 HH22 ARG 32 13.100 31.306 12.084
264 H VAL 33 H VAL 33 10.027 25.066 5.070
265 HA VAL 33 HA VAL 33 10.894 22.220 5.421
266 HB VAL 33 HB VAL 33 8.481 22.891 3.762
267 HG11 VAL 33 HG11 VAL 33 9.394 20.820 3.276
268 HG12 VAL 33 HG12 VAL 33 9.433 20.379 5.013
269 HG13 VAL 33 HG13 VAL 33 7.892 20.562 4.157
270 HG21 VAL 33 HG21 VAL 33 7.795 23.633 6.046
271 HG22 VAL 33 HG22 VAL 33 6.996 22.126 5.626
272 HG23 VAL 33 HG23 VAL 33 8.395 22.097 6.714
273 H THR 34 H THR 34 11.947 21.334 3.663
274 HA THR 34 HA THR 34 12.121 22.913 1.111
275 HB THR 34 HB THR 34 14.397 21.453 2.497
276 HG1 THR 34 HG1 THR 34 13.874 23.414 3.490
277 HG21 THR 34 HG21 THR 34 14.355 23.135 -0.040
278 HG22 THR 34 HG22 THR 34 15.817 22.578 0.791
279 HG23 THR 34 HG23 THR 34 14.716 21.396 0.074
280 H THR 35 H THR 35 11.884 21.727 -0.768
281 HA THR 35 HA THR 35 11.619 18.744 -0.516
282 HB THR 35 HB THR 35 9.764 18.761 -2.009
283 HG1 THR 35 HG1 THR 35 8.891 20.711 -2.768
284 HG21 THR 35 HG21 THR 35 9.228 20.949 0.036
285 HG22 THR 35 HG22 THR 35 8.048 19.870 -0.737
286 HG23 THR 35 HG23 THR 35 9.238 19.207 0.393
287 H LEU 36 H LEU 36 11.647 17.569 -2.606
288 HA LEU 36 HA LEU 36 14.129 17.964 -3.884
289 HB2 LEU 36 HB2 LEU 36 13.742 15.979 -4.976
290 HB3 LEU 36 HB3 LEU 36 12.847 15.789 -3.490
291 HG LEU 36 HG LEU 36 11.681 16.431 -6.255
292 HD11 LEU 36 HD11 LEU 36 11.512 13.922 -4.543
293 HD12 LEU 36 HD12 LEU 36 10.741 14.185 -6.124
294 HD13 LEU 36 HD13 LEU 36 12.507 14.124 -5.994
295 HD21 LEU 36 HD21 LEU 36 10.215 17.459 -4.627
296 HD22 LEU 36 HD22 LEU 36 9.468 15.945 -5.131
297 HD23 LEU 36 HD23 LEU 36 10.313 16.047 -3.569
298 H PHE 37 H PHE 37 11.214 19.535 -4.690
299 HA PHE 37 HA PHE 37 11.845 19.989 -7.520
300 HB2 PHE 37 HB2 PHE 37 9.814 21.344 -5.704
301 HB3 PHE 37 HB3 PHE 37 9.860 21.428 -7.462
302 HD1 PHE 37 HD1 PHE 37 10.031 18.894 -8.579
303 HD2 PHE 37 HD2 PHE 37 8.099 19.983 -4.879
304 HE1 PHE 37 HE1 PHE 37 8.586 16.884 -8.749
305 HE2 PHE 37 HE2 PHE 37 6.633 17.971 -5.057
306 HZ PHE 37 HZ PHE 37 6.878 16.423 -6.989
307 H ASP 38 H ASP 38 13.461 21.036 -4.937
308 HA ASP 38 HA ASP 38 14.692 22.735 -4.268
309 HB2 ASP 38 HB2 ASP 38 15.594 22.575 -6.619
310 HB3 ASP 38 HB3 ASP 38 14.563 23.930 -7.050
311 H GLU 39 H GLU 39 11.823 22.819 -4.036
312 HA GLU 39 HA GLU 39 11.213 25.725 -3.802
313 HB2 GLU 39 HB2 GLU 39 9.437 23.273 -3.546
314 HB3 GLU 39 HB3 GLU 39 8.931 24.930 -3.160
315 HG2 GLU 39 HG2 GLU 39 9.563 25.621 -5.481
316 HG3 GLU 39 HG3 GLU 39 9.871 23.929 -5.865
317 H GLU 40 H GLU 40 10.453 26.599 -1.921
318 HA GLU 40 HA GLU 40 11.040 25.198 0.637
319 HB2 GLU 40 HB2 GLU 40 11.975 27.994 -0.092
320 HB3 GLU 40 HB3 GLU 40 11.937 27.331 1.549
321 HG2 GLU 40 HG2 GLU 40 13.479 25.533 0.895
322 HG3 GLU 40 HG3 GLU 40 13.507 26.127 -0.757
323 H HIS 41 H HIS 41 9.796 25.730 2.347
324 HA HIS 41 HA HIS 41 7.419 27.499 1.956
325 HB2 HIS 41 HB2 HIS 41 7.248 24.685 3.077
326 HB3 HIS 41 HB3 HIS 41 5.932 25.772 2.655
327 HD2 HIS 41 HD2 HIS 41 8.274 23.158 1.185
328 HE1 HIS 41 HE1 HIS 41 6.021 24.609 -2.128
329 HE2 HIS 41 HE2 HIS 41 7.676 22.837 -1.358
330 H ALA 42 H ALA 42 6.401 28.207 3.917
331 HA ALA 42 HA ALA 42 7.781 27.651 6.466
332 HB1 ALA 42 HB1 ALA 42 8.184 30.010 6.931
333 HB2 ALA 42 HB2 ALA 42 9.037 29.530 5.450
334 HB3 ALA 42 HB3 ALA 42 7.532 30.466 5.340
335 H PHE 43 H PHE 43 6.590 27.871 8.242
336 HA PHE 43 HA PHE 43 3.725 28.704 8.072
337 HB2 PHE 43 HB2 PHE 43 4.739 26.038 9.091
338 HB3 PHE 43 HB3 PHE 43 3.074 26.605 9.083
339 HD1 PHE 43 HD1 PHE 43 5.773 25.120 7.112
340 HD2 PHE 43 HD2 PHE 43 1.849 26.893 6.887
341 HE1 PHE 43 HE1 PHE 43 5.489 24.215 4.819
342 HE2 PHE 43 HE2 PHE 43 1.567 25.971 4.596
343 HZ PHE 43 HZ PHE 43 3.396 24.648 3.554
344 HA PRO 44 HA PRO 44 5.348 30.381 12.034
345 HB2 PRO 44 HB2 PRO 44 3.004 32.192 11.497
346 HB3 PRO 44 HB3 PRO 44 4.632 32.602 12.132
347 HG2 PRO 44 HG2 PRO 44 4.012 33.138 9.543
348 HG3 PRO 44 HG3 PRO 44 5.601 32.417 9.942
349 HD2 PRO 44 HD2 PRO 44 3.092 30.989 8.983
350 HD3 PRO 44 HD3 PRO 44 4.772 30.838 8.389
351 H GLY 45 H GLY 45 4.534 30.192 14.112
352 HA2 GLY 45 HA2 GLY 45 3.012 29.859 15.833
353 HA3 GLY 45 HA3 GLY 45 1.705 29.578 14.676
354 H LEU 46 H LEU 46 4.486 27.706 13.978
355 HA LEU 46 HA LEU 46 3.302 25.299 15.278
356 HB2 LEU 46 HB2 LEU 46 4.649 25.513 12.557
357 HB3 LEU 46 HB3 LEU 46 4.105 24.017 13.304
358 HG LEU 46 HG LEU 46 2.337 26.292 12.342
359 HD11 LEU 46 HD11 LEU 46 2.594 23.400 11.422
360 HD12 LEU 46 HD12 LEU 46 1.613 24.684 10.672
361 HD13 LEU 46 HD13 LEU 46 3.380 24.772 10.623
362 HD21 LEU 46 HD21 LEU 46 1.235 25.274 14.291
363 HD22 LEU 46 HD22 LEU 46 0.438 24.728 12.816
364 HD23 LEU 46 HD23 LEU 46 1.567 23.645 13.649
365 H ALA 47 H ALA 47 4.646 23.548 15.666
366 HA ALA 47 HA ALA 47 7.567 23.769 15.460
367 HB1 ALA 47 HB1 ALA 47 6.136 23.139 18.079
368 HB2 ALA 47 HB2 ALA 47 7.894 23.004 17.807
369 HB3 ALA 47 HB3 ALA 47 7.104 24.595 17.756
370 H ILE 48 H ILE 48 8.578 21.573 15.632
371 HA ILE 48 HA ILE 48 6.909 19.541 14.351
372 HB ILE 48 HB ILE 48 9.742 19.370 15.405
373 HG12 ILE 48 HG12 ILE 48 8.929 19.498 12.466
374 HG13 ILE 48 HG13 ILE 48 9.180 20.977 13.376
375 HG21 ILE 48 HG21 ILE 48 8.759 17.123 15.274
376 HG22 ILE 48 HG22 ILE 48 8.114 17.459 13.652
377 HG23 ILE 48 HG23 ILE 48 9.858 17.315 13.921
378 HD11 ILE 48 HD11 ILE 48 11.268 18.818 12.965
379 HD12 ILE 48 HD12 ILE 48 11.229 20.423 12.220
380 HD13 ILE 48 HD13 ILE 48 11.485 20.266 13.973
381 H GLY 49 H GLY 49 5.546 18.262 15.372
382 HA2 GLY 49 HA2 GLY 49 5.525 18.005 18.314
383 HA3 GLY 49 HA3 GLY 49 4.274 17.503 17.177
384 H ARG 50 H ARG 50 5.923 15.890 15.436
385 HA ARG 50 HA ARG 50 7.545 14.071 16.980
386 HB2 ARG 50 HB2 ARG 50 6.295 12.022 16.723
387 HB3 ARG 50 HB3 ARG 50 5.335 13.169 17.647
388 HG2 ARG 50 HG2 ARG 50 3.915 13.617 15.714
389 HG3 ARG 50 HG3 ARG 50 4.930 12.567 14.692
390 HD2 ARG 50 HD2 ARG 50 4.428 10.733 16.426
391 HD3 ARG 50 HD3 ARG 50 3.138 11.790 17.017
392 HE ARG 50 HE ARG 50 2.266 11.731 14.604
393 HH11 ARG 50 HH11 ARG 50 3.960 8.933 15.952
394 HH12 ARG 50 HH12 ARG 50 3.547 7.939 14.581
395 HH21 ARG 50 HH21 ARG 50 1.597 10.315 13.033
396 HH22 ARG 50 HH22 ARG 50 2.077 8.636 13.109
397 H VAL 51 H VAL 51 8.572 12.423 15.752
398 HA VAL 51 HA VAL 51 8.104 12.469 12.814
399 HB VAL 51 HB VAL 51 10.900 12.227 13.968
400 HG11 VAL 51 HG11 VAL 51 10.630 10.960 11.915
401 HG12 VAL 51 HG12 VAL 51 9.829 12.327 11.125
402 HG13 VAL 51 HG13 VAL 51 11.548 12.419 11.567
403 HG21 VAL 51 HG21 VAL 51 11.353 14.386 12.862
404 HG22 VAL 51 HG22 VAL 51 9.611 14.580 12.549
405 HG23 VAL 51 HG23 VAL 51 10.237 14.547 14.212
406 H ASP 52 H ASP 52 7.540 10.539 12.141
407 HA ASP 52 HA ASP 52 8.156 8.134 13.813
408 HB2 ASP 52 HB2 ASP 52 5.814 8.943 13.855
409 HB3 ASP 52 HB3 ASP 52 5.691 8.684 12.115
410 H LEU 53 H LEU 53 9.674 6.985 12.896
411 HA LEU 53 HA LEU 53 10.243 7.144 10.023
412 HB2 LEU 53 HB2 LEU 53 11.659 5.673 12.287
413 HB3 LEU 53 HB3 LEU 53 12.218 5.793 10.634
414 HG LEU 53 HG LEU 53 13.498 7.280 11.889
415 HD11 LEU 53 HD11 LEU 53 13.141 9.431 10.810
416 HD12 LEU 53 HD12 LEU 53 12.823 8.127 9.668
417 HD13 LEU 53 HD13 LEU 53 11.467 9.009 10.423
418 HD21 LEU 53 HD21 LEU 53 12.780 9.091 13.264
419 HD22 LEU 53 HD22 LEU 53 11.083 8.829 12.883
420 HD23 LEU 53 HD23 LEU 53 11.973 7.625 13.841
421 H ARG 54 H ARG 54 8.298 5.128 11.935
422 HA ARG 54 HA ARG 54 8.587 2.629 10.416
423 HB2 ARG 54 HB2 ARG 54 6.283 3.582 12.163
424 HB3 ARG 54 HB3 ARG 54 6.561 1.943 11.617
425 HG2 ARG 54 HG2 ARG 54 8.465 1.634 13.003
426 HG3 ARG 54 HG3 ARG 54 8.624 3.365 13.361
427 HD2 ARG 54 HD2 ARG 54 6.262 1.663 14.241
428 HD3 ARG 54 HD3 ARG 54 7.689 2.049 15.234
429 HE ARG 54 HE ARG 54 6.321 4.394 14.070
430 HH11 ARG 54 HH11 ARG 54 6.741 2.525 17.021
431 HH12 ARG 54 HH12 ARG 54 5.973 3.763 17.982
432 HH21 ARG 54 HH21 ARG 54 5.153 5.742 15.296
433 HH22 ARG 54 HH22 ARG 54 5.290 5.629 17.057
434 H SER 55 H SER 55 6.389 5.418 10.380
435 HA SER 55 HA SER 55 5.049 4.521 7.894
436 HB2 SER 55 HB2 SER 55 3.529 6.398 8.344
437 HB3 SER 55 HB3 SER 55 3.641 5.294 9.728
438 HG SER 55 HG SER 55 3.778 7.480 10.383
439 H GLY 56 H GLY 56 7.461 6.869 8.933
440 HA2 GLY 56 HA2 GLY 56 8.922 8.103 7.620
441 HA3 GLY 56 HA3 GLY 56 8.035 7.683 6.157
442 H VAL 57 H VAL 57 6.872 9.209 9.198
443 HA VAL 57 HA VAL 57 5.939 11.579 7.607
444 HB VAL 57 HB VAL 57 4.394 10.091 9.761
445 HG11 VAL 57 HG11 VAL 57 3.669 12.584 8.160
446 HG12 VAL 57 HG12 VAL 57 2.538 11.657 9.169
447 HG13 VAL 57 HG13 VAL 57 3.898 12.483 9.924
448 HG21 VAL 57 HG21 VAL 57 3.887 10.411 6.767
449 HG22 VAL 57 HG22 VAL 57 4.325 8.904 7.604
450 HG23 VAL 57 HG23 VAL 57 2.767 9.661 7.931
451 H ILE 58 H ILE 58 6.416 13.470 8.300
452 HA ILE 58 HA ILE 58 7.334 14.019 11.100
453 HB ILE 58 HB ILE 58 7.543 15.578 8.501
454 HG12 ILE 58 HG12 ILE 58 9.741 14.454 10.285
455 HG13 ILE 58 HG13 ILE 58 9.148 13.653 8.836
456 HG21 ILE 58 HG21 ILE 58 8.439 16.444 11.287
457 HG22 ILE 58 HG22 ILE 58 8.767 17.307 9.762
458 HG23 ILE 58 HG23 ILE 58 7.121 17.166 10.337
459 HD11 ILE 58 HD11 ILE 58 9.843 15.674 7.497
460 HD12 ILE 58 HD12 ILE 58 10.644 16.280 8.969
461 HD13 ILE 58 HD13 ILE 58 11.141 14.748 8.247
462 H SER 59 H SER 59 5.891 15.010 12.446
463 HA SER 59 HA SER 59 3.358 16.129 11.263
464 HB2 SER 59 HB2 SER 59 3.049 13.963 12.442
465 HB3 SER 59 HB3 SER 59 3.709 14.710 13.908
466 HG SER 59 HG SER 59 1.371 14.757 13.779
467 H LEU 60 H LEU 60 2.905 18.173 11.727
468 HA LEU 60 HA LEU 60 4.526 19.603 13.779
469 HB2 LEU 60 HB2 LEU 60 2.813 20.851 11.623
470 HB3 LEU 60 HB3 LEU 60 4.020 21.621 12.642
471 HG LEU 60 HG LEU 60 4.524 19.649 10.373
472 HD11 LEU 60 HD11 LEU 60 5.281 22.577 10.751
473 HD12 LEU 60 HD12 LEU 60 5.683 21.566 9.346
474 HD13 LEU 60 HD13 LEU 60 3.998 21.972 9.693
475 HD21 LEU 60 HD21 LEU 60 6.216 19.185 12.077
476 HD22 LEU 60 HD22 LEU 60 6.945 20.086 10.765
477 HD23 LEU 60 HD23 LEU 60 6.529 20.925 12.277
478 H ILE 61 H ILE 61 3.612 20.938 15.296
479 HA ILE 61 HA ILE 61 0.678 20.870 15.788
480 HB ILE 61 HB ILE 61 1.078 20.492 18.198
481 HG12 ILE 61 HG12 ILE 61 3.267 19.208 18.750
482 HG13 ILE 61 HG13 ILE 61 3.978 20.041 17.375
483 HG21 ILE 61 HG21 ILE 61 0.383 18.695 16.663
484 HG22 ILE 61 HG22 ILE 61 2.088 18.222 16.452
485 HG23 ILE 61 HG23 ILE 61 1.309 18.091 18.039
486 HD11 ILE 61 HD11 ILE 61 4.436 21.102 19.581
487 HD12 ILE 61 HD12 ILE 61 3.619 22.209 18.482
488 HD13 ILE 61 HD13 ILE 61 2.702 21.414 19.778
489 H GLU 62 H GLU 62 -0.039 22.563 17.329
490 HA GLU 62 HA GLU 62 1.127 25.115 16.646
491 HB2 GLU 62 HB2 GLU 62 -0.985 24.369 18.699
492 HB3 GLU 62 HB3 GLU 62 -0.509 26.021 18.286
493 HG2 GLU 62 HG2 GLU 62 -1.122 25.574 15.894
494 HG3 GLU 62 HG3 GLU 62 -1.728 23.985 16.375
495 H GLU 63 H GLU 63 2.660 26.289 17.635
496 HA GLU 63 HA GLU 63 4.351 25.006 19.536
497 HB2 GLU 63 HB2 GLU 63 5.737 26.983 19.387
498 HB3 GLU 63 HB3 GLU 63 5.174 26.446 17.819
499 HG2 GLU 63 HG2 GLU 63 4.969 28.716 17.596
500 HG3 GLU 63 HG3 GLU 63 3.328 28.262 17.999
501 H GLN 64 H GLN 64 1.771 27.290 20.095
502 HA GLN 64 HA GLN 64 1.927 26.713 22.980
503 HB2 GLN 64 HB2 GLN 64 1.819 29.549 21.884
504 HB3 GLN 64 HB3 GLN 64 1.329 29.117 23.524
505 HG2 GLN 64 HG2 GLN 64 3.562 28.381 24.101
506 HG3 GLN 64 HG3 GLN 64 4.105 28.545 22.438
507 HE21 GLN 64 HE21 GLN 64 4.964 30.484 21.767
508 HE22 GLN 64 HE22 GLN 64 4.935 31.950 22.763
509 H ASN 65 H ASN 65 -0.044 26.539 23.938
510 HA ASN 65 HA ASN 65 -2.530 27.116 22.410
511 HB2 ASN 65 HB2 ASN 65 -3.234 24.718 22.667
512 HB3 ASN 65 HB3 ASN 65 -1.857 24.954 21.606
513 HD21 ASN 65 HD21 ASN 65 -0.425 23.284 21.836
514 HD22 ASN 65 HD22 ASN 65 -0.015 22.544 23.380
515 H ARG 66 H ARG 66 -1.167 27.817 25.142
516 HA ARG 66 HA ARG 66 -3.592 27.798 26.802
517 HB2 ARG 66 HB2 ARG 66 -2.563 26.734 28.717
518 HB3 ARG 66 HB3 ARG 66 -2.626 25.625 27.347
519 HG2 ARG 66 HG2 ARG 66 -0.207 26.080 26.873
520 HG3 ARG 66 HG3 ARG 66 -0.143 27.135 28.294
521 HD2 ARG 66 HD2 ARG 66 -0.867 24.178 28.340
522 HD3 ARG 66 HD3 ARG 66 0.742 24.832 28.679
523 HE ARG 66 HE ARG 66 -1.032 26.165 30.411
524 HH11 ARG 66 HH11 ARG 66 0.109 22.886 30.003
525 HH12 ARG 66 HH12 ARG 66 -0.098 22.517 31.698
526 HH21 ARG 66 HH21 ARG 66 -1.320 25.609 32.525
527 HH22 ARG 66 HH22 ARG 66 -0.905 24.015 33.080
528 H1 GLY -3 H1 GLY -3 14.422 -5.566 2.582
529 H2 GLY -3 H2 GLY -3 14.286 -6.238 1.096
530 H3 GLY -3 H3 GLY -3 12.958 -5.634 1.855
531 HA2 GLY -3 HA2 GLY -3 13.652 -4.120 0.134
532 HA3 GLY -3 HA3 GLY -3 13.811 -3.410 1.748
533 HA PRO -2 HA PRO -2 17.786 -2.840 -0.630
534 HB2 PRO -2 HB2 PRO -2 17.552 -0.175 0.767
535 HB3 PRO -2 HB3 PRO -2 18.135 -0.539 -0.880
536 HG2 PRO -2 HG2 PRO -2 15.633 0.453 -0.503
537 HG3 PRO -2 HG3 PRO -2 15.874 -0.900 -1.657
538 HD2 PRO -2 HD2 PRO -2 14.927 -1.038 1.213
539 HD3 PRO -2 HD3 PRO -2 14.245 -1.829 -0.242
540 H GLY -1 H GLY -1 19.902 -2.943 0.094
541 HA2 GLY -1 HA2 GLY -1 20.433 -3.500 2.918
542 HA3 GLY -1 HA3 GLY -1 21.599 -3.462 1.594
543 H SER 0 H SER 0 20.594 -0.654 0.857
544 HA SER 0 HA SER 0 22.446 0.894 2.488
545 HB2 SER 0 HB2 SER 0 21.709 2.748 0.994
546 HB3 SER 0 HB3 SER 0 22.303 1.329 0.123
547 HG SER 0 HG SER 0 19.553 1.824 0.663
548 H MET 1 H MET 1 22.022 2.517 3.869
549 HA MET 1 HA MET 1 21.081 3.831 5.397
550 HB2 MET 1 HB2 MET 1 18.628 3.868 3.621
551 HB3 MET 1 HB3 MET 1 19.060 5.050 4.858
552 HG2 MET 1 HG2 MET 1 21.226 5.453 3.555
553 HG3 MET 1 HG3 MET 1 20.526 4.477 2.272
554 HE1 MET 1 HE1 MET 1 19.169 8.721 3.506
555 HE2 MET 1 HE2 MET 1 19.227 7.390 4.677
556 HE3 MET 1 HE3 MET 1 20.722 7.978 3.922
557 H CYS 2 H CYS 2 19.295 4.298 6.962
558 HA CYS 2 HA CYS 2 17.746 2.009 7.932
559 HB2 CYS 2 HB2 CYS 2 19.007 1.870 10.068
560 HB3 CYS 2 HB3 CYS 2 20.006 1.426 8.680
561 HG CYS 2 HG CYS 2 21.468 2.740 10.404
562 H MET 3 H MET 3 16.800 2.576 10.171
563 HA MET 3 HA MET 3 15.344 5.019 10.073
564 HB2 MET 3 HB2 MET 3 15.724 3.101 12.398
565 HB3 MET 3 HB3 MET 3 14.518 4.378 12.271
566 HG2 MET 3 HG2 MET 3 13.313 2.509 11.685
567 HG3 MET 3 HG3 MET 3 13.666 3.289 10.153
568 HE1 MET 3 HE1 MET 3 14.282 0.287 12.542
569 HE2 MET 3 HE2 MET 3 15.491 -0.702 11.690
570 HE3 MET 3 HE3 MET 3 15.963 0.841 12.432
571 H ALA 4 H ALA 4 15.214 6.538 12.067
572 HA ALA 4 HA ALA 4 17.481 8.104 11.481
573 HB1 ALA 4 HB1 ALA 4 16.335 9.833 12.852
574 HB2 ALA 4 HB2 ALA 4 15.260 9.038 11.695
575 HB3 ALA 4 HB3 ALA 4 15.197 8.593 13.421
576 H LYS 5 H LYS 5 18.791 9.354 12.849
577 HA LYS 5 HA LYS 5 19.331 8.303 15.582
578 HB2 LYS 5 HB2 LYS 5 21.678 9.132 15.347
579 HB3 LYS 5 HB3 LYS 5 21.283 7.644 14.518
580 HG2 LYS 5 HG2 LYS 5 21.134 10.212 12.931
581 HG3 LYS 5 HG3 LYS 5 22.718 9.576 13.362
582 HD2 LYS 5 HD2 LYS 5 22.317 7.477 12.245
583 HD3 LYS 5 HD3 LYS 5 20.618 7.887 11.935
584 HE2 LYS 5 HE2 LYS 5 21.328 9.816 10.568
585 HE3 LYS 5 HE3 LYS 5 23.024 9.396 10.833
586 HZ1 LYS 5 HZ1 LYS 5 22.702 7.361 9.613
587 HZ2 LYS 5 HZ2 LYS 5 21.078 7.557 9.557
588 HZ3 LYS 5 HZ3 LYS 5 22.035 8.569 8.706
589 H VAL 6 H VAL 6 19.072 9.650 17.149
590 HA VAL 6 HA VAL 6 18.440 12.518 16.579
591 HB VAL 6 HB VAL 6 17.683 10.712 18.896
592 HG11 VAL 6 HG11 VAL 6 17.018 13.654 18.475
593 HG12 VAL 6 HG12 VAL 6 16.268 12.606 19.686
594 HG13 VAL 6 HG13 VAL 6 17.994 12.968 19.799
595 HG21 VAL 6 HG21 VAL 6 16.373 10.415 16.751
596 HG22 VAL 6 HG22 VAL 6 15.413 10.944 18.129
597 HG23 VAL 6 HG23 VAL 6 15.876 12.112 16.889
598 H VAL 7 H VAL 7 19.639 14.140 17.501
599 HA VAL 7 HA VAL 7 21.634 13.464 19.606
600 HB VAL 7 HB VAL 7 22.802 13.609 17.472
601 HG11 VAL 7 HG11 VAL 7 23.075 15.752 16.278
602 HG12 VAL 7 HG12 VAL 7 21.401 15.194 16.234
603 HG13 VAL 7 HG13 VAL 7 21.861 16.510 17.328
604 HG21 VAL 7 HG21 VAL 7 23.509 16.055 19.157
605 HG22 VAL 7 HG22 VAL 7 23.914 14.388 19.611
606 HG23 VAL 7 HG23 VAL 7 24.577 15.098 18.128
607 H LEU 8 H LEU 8 22.062 14.927 21.171
608 HA LEU 8 HA LEU 8 20.762 17.573 21.186
609 HB2 LEU 8 HB2 LEU 8 19.516 17.214 23.207
610 HB3 LEU 8 HB3 LEU 8 19.073 16.002 22.024
611 HG LEU 8 HG LEU 8 20.973 14.575 23.356
612 HD11 LEU 8 HD11 LEU 8 21.468 16.298 25.068
613 HD12 LEU 8 HD12 LEU 8 19.748 16.405 25.480
614 HD13 LEU 8 HD13 LEU 8 20.654 14.918 25.803
615 HD21 LEU 8 HD21 LEU 8 18.670 13.851 22.929
616 HD22 LEU 8 HD22 LEU 8 19.171 13.492 24.575
617 HD23 LEU 8 HD23 LEU 8 18.099 14.880 24.274
618 H THR 9 H THR 9 21.473 18.943 22.920
619 HA THR 9 HA THR 9 24.121 18.210 24.121
620 HB THR 9 HB THR 9 23.196 20.988 23.335
621 HG1 THR 9 HG1 THR 9 23.642 19.768 21.515
622 HG21 THR 9 HG21 THR 9 25.907 19.923 24.274
623 HG22 THR 9 HG22 THR 9 25.602 21.561 23.674
624 HG23 THR 9 HG23 THR 9 24.836 21.029 25.167
625 H LYS 10 H LYS 10 24.347 18.349 26.235
626 HA LYS 10 HA LYS 10 22.009 18.840 27.965
627 HB2 LYS 10 HB2 LYS 10 24.851 17.886 28.500
628 HB3 LYS 10 HB3 LYS 10 23.581 17.996 29.727
629 HG2 LYS 10 HG2 LYS 10 22.218 16.368 28.423
630 HG3 LYS 10 HG3 LYS 10 23.560 16.164 27.288
631 HD2 LYS 10 HD2 LYS 10 23.751 15.684 30.301
632 HD3 LYS 10 HD3 LYS 10 23.430 14.408 29.137
633 HE2 LYS 10 HE2 LYS 10 25.566 14.517 28.168
634 HE3 LYS 10 HE3 LYS 10 25.868 16.150 28.775
635 HZ1 LYS 10 HZ1 LYS 10 27.080 14.426 30.016
636 HZ2 LYS 10 HZ2 LYS 10 26.129 15.342 30.964
637 HZ3 LYS 10 HZ3 LYS 10 25.674 13.803 30.570
638 H ALA 11 H ALA 11 22.160 20.087 29.910
639 HA ALA 11 HA ALA 11 23.191 22.739 29.635
640 HB1 ALA 11 HB1 ALA 11 22.398 22.985 31.954
641 HB2 ALA 11 HB2 ALA 11 21.206 22.127 30.966
642 HB3 ALA 11 HB3 ALA 11 22.236 21.223 32.109
643 H ASP 12 H ASP 12 24.721 19.835 30.935
644 HA ASP 12 HA ASP 12 26.868 21.267 32.307
645 HB2 ASP 12 HB2 ASP 12 27.769 19.110 32.792
646 HB3 ASP 12 HB3 ASP 12 26.042 19.119 33.125
647 H GLY 13 H GLY 13 26.275 20.954 29.066
648 HA2 GLY 13 HA2 GLY 13 27.606 21.742 27.338
649 HA3 GLY 13 HA3 GLY 13 29.058 21.556 28.308
650 H GLY 14 H GLY 14 27.605 18.615 28.659
651 HA2 GLY 14 HA2 GLY 14 29.154 17.264 26.543
652 HA3 GLY 14 HA3 GLY 14 28.163 16.517 27.783
653 H ARG 15 H ARG 15 28.027 15.488 25.309
654 HA ARG 15 HA ARG 15 25.290 16.247 24.347
655 HB2 ARG 15 HB2 ARG 15 27.613 15.380 22.597
656 HB3 ARG 15 HB3 ARG 15 25.941 15.635 22.067
657 HG2 ARG 15 HG2 ARG 15 26.134 18.012 22.939
658 HG3 ARG 15 HG3 ARG 15 27.878 17.751 23.110
659 HD2 ARG 15 HD2 ARG 15 26.253 17.508 20.549
660 HD3 ARG 15 HD3 ARG 15 27.250 18.891 21.000
661 HE ARG 15 HE ARG 15 28.896 16.573 21.069
662 HH11 ARG 15 HH11 ARG 15 27.290 18.517 18.635
663 HH12 ARG 15 HH12 ARG 15 28.484 18.131 17.421
664 HH21 ARG 15 HH21 ARG 15 30.352 16.089 19.474
665 HH22 ARG 15 HH22 ARG 15 30.158 16.775 17.886
666 H VAL 16 H VAL 16 24.038 14.644 23.420
667 HA VAL 16 HA VAL 16 24.663 11.816 24.154
668 HB VAL 16 HB VAL 16 22.088 13.249 24.840
669 HG11 VAL 16 HG11 VAL 16 22.873 10.343 25.296
670 HG12 VAL 16 HG12 VAL 16 21.431 11.134 25.957
671 HG13 VAL 16 HG13 VAL 16 21.587 10.943 24.211
672 HG21 VAL 16 HG21 VAL 16 24.243 12.078 26.655
673 HG22 VAL 16 HG22 VAL 16 23.852 13.799 26.462
674 HG23 VAL 16 HG23 VAL 16 22.661 12.710 27.201
675 H GLU 17 H GLU 17 23.873 10.302 22.766
676 HA GLU 17 HA GLU 17 22.186 11.162 20.469
677 HB2 GLU 17 HB2 GLU 17 24.730 9.516 20.317
678 HB3 GLU 17 HB3 GLU 17 23.565 9.698 19.004
679 HG2 GLU 17 HG2 GLU 17 23.970 12.100 18.913
680 HG3 GLU 17 HG3 GLU 17 25.083 12.014 20.278
681 H ILE 18 H ILE 18 20.798 9.647 19.641
682 HA ILE 18 HA ILE 18 20.741 6.911 20.828
683 HB ILE 18 HB ILE 18 18.260 8.652 20.439
684 HG12 ILE 18 HG12 ILE 18 18.167 7.957 23.062
685 HG13 ILE 18 HG13 ILE 18 19.910 7.989 22.883
686 HG21 ILE 18 HG21 ILE 18 18.570 5.810 21.508
687 HG22 ILE 18 HG22 ILE 18 17.061 6.750 21.438
688 HG23 ILE 18 HG23 ILE 18 17.849 6.267 19.948
689 HD11 ILE 18 HD11 ILE 18 19.080 10.133 23.693
690 HD12 ILE 18 HD12 ILE 18 19.667 10.401 22.037
691 HD13 ILE 18 HD13 ILE 18 17.927 10.258 22.353
692 H GLY 19 H GLY 19 20.875 5.458 19.276
693 HA2 GLY 19 HA2 GLY 19 20.362 6.177 16.432
694 HA3 GLY 19 HA3 GLY 19 21.322 4.820 17.007
695 H ASP 20 H ASP 20 19.540 4.459 15.016
696 HA ASP 20 HA ASP 20 17.774 3.282 14.237
697 HB2 ASP 20 HB2 ASP 20 18.052 1.487 16.651
698 HB3 ASP 20 HB3 ASP 20 17.476 1.091 15.035
699 H VAL 21 H VAL 21 16.920 5.536 15.497
700 HA VAL 21 HA VAL 21 14.743 5.119 17.359
701 HB VAL 21 HB VAL 21 15.614 7.476 15.654
702 HG11 VAL 21 HG11 VAL 21 13.376 7.365 17.710
703 HG12 VAL 21 HG12 VAL 21 14.090 8.855 17.041
704 HG13 VAL 21 HG13 VAL 21 13.222 7.765 15.976
705 HG21 VAL 21 HG21 VAL 21 17.103 6.840 17.525
706 HG22 VAL 21 HG22 VAL 21 16.287 8.362 17.881
707 HG23 VAL 21 HG23 VAL 21 15.735 6.862 18.651
708 H LEU 22 H LEU 22 12.874 4.234 16.942
709 HA LEU 22 HA LEU 22 11.695 4.072 14.232
710 HB2 LEU 22 HB2 LEU 22 10.659 3.239 16.982
711 HB3 LEU 22 HB3 LEU 22 9.844 2.934 15.456
712 HG LEU 22 HG LEU 22 12.518 1.769 16.339
713 HD11 LEU 22 HD11 LEU 22 11.247 -0.360 16.312
714 HD12 LEU 22 HD12 LEU 22 10.537 0.807 17.439
715 HD13 LEU 22 HD13 LEU 22 9.774 0.519 15.848
716 HD21 LEU 22 HD21 LEU 22 12.355 0.346 14.293
717 HD22 LEU 22 HD22 LEU 22 10.985 1.348 13.737
718 HD23 LEU 22 HD23 LEU 22 12.617 2.045 13.926
719 H GLU 23 H GLU 23 11.252 5.939 17.228
720 HA GLU 23 HA GLU 23 9.757 7.968 15.750
721 HB2 GLU 23 HB2 GLU 23 8.011 6.320 16.430
722 HB3 GLU 23 HB3 GLU 23 8.475 6.557 18.122
723 HG2 GLU 23 HG2 GLU 23 7.842 8.966 17.924
724 HG3 GLU 23 HG3 GLU 23 7.392 8.696 16.238
725 H VAL 24 H VAL 24 9.909 9.974 16.613
726 HA VAL 24 HA VAL 24 10.883 10.354 19.392
727 HB VAL 24 HB VAL 24 12.759 10.799 17.949
728 HG11 VAL 24 HG11 VAL 24 11.040 12.850 16.534
729 HG12 VAL 24 HG12 VAL 24 12.793 12.657 16.361
730 HG13 VAL 24 HG13 VAL 24 11.727 11.344 15.855
731 HG21 VAL 24 HG21 VAL 24 11.650 13.441 18.977
732 HG22 VAL 24 HG22 VAL 24 12.442 12.219 19.981
733 HG23 VAL 24 HG23 VAL 24 13.350 13.031 18.695
734 H ARG 25 H ARG 25 9.808 11.905 20.531
735 HA ARG 25 HA ARG 25 7.415 13.242 19.273
736 HB2 ARG 25 HB2 ARG 25 7.479 11.551 21.815
737 HB3 ARG 25 HB3 ARG 25 6.080 12.433 21.186
738 HG2 ARG 25 HG2 ARG 25 5.987 10.996 19.208
739 HG3 ARG 25 HG3 ARG 25 7.460 10.153 19.695
740 HD2 ARG 25 HD2 ARG 25 4.894 10.124 21.283
741 HD3 ARG 25 HD3 ARG 25 5.388 8.860 20.170
742 HE ARG 25 HE ARG 25 6.572 9.484 22.805
743 HH11 ARG 25 HH11 ARG 25 6.727 7.216 20.047
744 HH12 ARG 25 HH12 ARG 25 7.999 6.327 20.871
745 HH21 ARG 25 HH21 ARG 25 8.089 8.125 23.691
746 HH22 ARG 25 HH22 ARG 25 8.697 6.796 22.729
747 H ALA 26 H ALA 26 6.820 15.171 20.160
748 HA ALA 26 HA ALA 26 8.418 16.256 22.438
749 HB1 ALA 26 HB1 ALA 26 9.343 17.023 20.281
750 HB2 ALA 26 HB2 ALA 26 7.760 17.669 19.826
751 HB3 ALA 26 HB3 ALA 26 8.626 18.356 21.211
752 H GLU 27 H GLU 27 7.178 17.032 24.012
753 HA GLU 27 HA GLU 27 4.588 18.316 23.574
754 HB2 GLU 27 HB2 GLU 27 3.994 15.926 23.254
755 HB3 GLU 27 HB3 GLU 27 4.742 15.515 24.783
756 HG2 GLU 27 HG2 GLU 27 2.341 15.508 24.968
757 HG3 GLU 27 HG3 GLU 27 3.008 16.764 26.003
758 H GLY 28 H GLY 28 3.817 19.393 25.395
759 HA2 GLY 28 HA2 GLY 28 3.923 20.490 27.412
760 HA3 GLY 28 HA3 GLY 28 4.491 18.951 28.074
761 H GLY 29 H GLY 29 6.483 20.653 25.711
762 HA2 GLY 29 HA2 GLY 29 8.481 21.820 25.904
763 HA3 GLY 29 HA3 GLY 29 8.224 22.006 27.633
764 H ALA 30 H ALA 30 8.171 18.781 26.182
765 HA ALA 30 HA ALA 30 11.006 18.251 26.836
766 HB1 ALA 30 HB1 ALA 30 9.740 17.765 28.915
767 HB2 ALA 30 HB2 ALA 30 8.668 16.683 28.006
768 HB3 ALA 30 HB3 ALA 30 10.387 16.270 28.191
769 H VAL 31 H VAL 31 11.820 16.277 25.926
770 HA VAL 31 HA VAL 31 10.219 15.213 23.622
771 HB VAL 31 HB VAL 31 13.189 15.767 23.783
772 HG11 VAL 31 HG11 VAL 31 11.680 14.202 21.637
773 HG12 VAL 31 HG12 VAL 31 13.281 14.898 21.427
774 HG13 VAL 31 HG13 VAL 31 13.049 13.627 22.629
775 HG21 VAL 31 HG21 VAL 31 11.595 17.619 23.136
776 HG22 VAL 31 HG22 VAL 31 12.720 17.188 21.845
777 HG23 VAL 31 HG23 VAL 31 11.036 16.632 21.800
778 H ARG 32 H ARG 32 10.233 13.080 23.142
779 HA ARG 32 HA ARG 32 11.752 11.192 24.866
780 HB2 ARG 32 HB2 ARG 32 8.860 10.682 24.068
781 HB3 ARG 32 HB3 ARG 32 9.925 9.630 24.993
782 HG2 ARG 32 HG2 ARG 32 8.690 10.491 26.698
783 HG3 ARG 32 HG3 ARG 32 10.029 11.656 26.699
784 HD2 ARG 32 HD2 ARG 32 8.630 13.185 25.303
785 HD3 ARG 32 HD3 ARG 32 7.316 12.006 25.330
786 HE ARG 32 HE ARG 32 7.708 12.356 27.980
787 HH11 ARG 32 HH11 ARG 32 7.437 14.755 25.470
788 HH12 ARG 32 HH12 ARG 32 6.748 15.954 26.530
789 HH21 ARG 32 HH21 ARG 32 6.762 13.911 29.312
790 HH22 ARG 32 HH22 ARG 32 6.323 15.449 28.630
791 H VAL 33 H VAL 33 12.268 9.203 23.904
792 HA VAL 33 HA VAL 33 11.865 8.939 20.958
793 HB VAL 33 HB VAL 33 14.174 8.023 20.767
794 HG11 VAL 33 HG11 VAL 33 15.337 10.171 20.677
795 HG12 VAL 33 HG12 VAL 33 13.703 10.277 20.012
796 HG13 VAL 33 HG13 VAL 33 14.052 10.937 21.632
797 HG21 VAL 33 HG21 VAL 33 14.645 9.272 23.507
798 HG22 VAL 33 HG22 VAL 33 14.652 7.535 23.143
799 HG23 VAL 33 HG23 VAL 33 15.872 8.595 22.435
800 H THR 34 H THR 34 11.842 6.865 20.128
801 HA THR 34 HA THR 34 11.955 4.561 22.028
802 HB THR 34 HB THR 34 9.878 4.928 19.844
803 HG1 THR 34 HG1 THR 34 9.483 4.686 22.632
804 HG21 THR 34 HG21 THR 34 10.414 2.563 20.079
805 HG22 THR 34 HG22 THR 34 10.339 2.669 21.859
806 HG23 THR 34 HG23 THR 34 8.868 2.869 20.871
807 H THR 35 H THR 35 13.344 3.037 21.393
808 HA THR 35 HA THR 35 14.571 3.257 18.708
809 HB THR 35 HB THR 35 16.371 1.975 19.515
810 HG1 THR 35 HG1 THR 35 16.302 1.081 21.625
811 HG21 THR 35 HG21 THR 35 17.204 3.247 21.373
812 HG22 THR 35 HG22 THR 35 16.260 4.334 20.335
813 HG23 THR 35 HG23 THR 35 15.574 3.739 21.864
814 H LEU 36 H LEU 36 15.280 1.313 17.604
815 HA LEU 36 HA LEU 36 13.472 -0.592 16.737
816 HB2 LEU 36 HB2 LEU 36 15.630 0.007 15.749
817 HB3 LEU 36 HB3 LEU 36 16.486 -0.692 17.127
818 HG LEU 36 HG LEU 36 15.653 -2.966 16.449
819 HD11 LEU 36 HD11 LEU 36 14.722 -3.172 14.136
820 HD12 LEU 36 HD12 LEU 36 13.619 -2.311 15.212
821 HD13 LEU 36 HD13 LEU 36 14.609 -1.394 14.055
822 HD21 LEU 36 HD21 LEU 36 17.860 -2.119 15.729
823 HD22 LEU 36 HD22 LEU 36 17.119 -3.172 14.514
824 HD23 LEU 36 HD23 LEU 36 17.113 -1.419 14.268
825 H PHE 37 H PHE 37 15.330 -0.702 19.725
826 HA PHE 37 HA PHE 37 14.704 -3.542 20.236
827 HB2 PHE 37 HB2 PHE 37 16.360 -1.586 21.861
828 HB3 PHE 37 HB3 PHE 37 16.303 -3.332 22.042
829 HD1 PHE 37 HD1 PHE 37 17.162 -4.826 20.159
830 HD2 PHE 37 HD2 PHE 37 17.796 -0.559 20.198
831 HE1 PHE 37 HE1 PHE 37 18.959 -5.072 18.450
832 HE2 PHE 37 HE2 PHE 37 19.573 -0.811 18.479
833 HZ PHE 37 HZ PHE 37 20.153 -3.068 17.596
834 H ASP 38 H ASP 38 12.818 -1.010 20.460
835 HA ASP 38 HA ASP 38 11.163 -0.205 21.685
836 HB2 ASP 38 HB2 ASP 38 11.071 -2.817 23.208
837 HB3 ASP 38 HB3 ASP 38 9.793 -1.615 23.072
838 H GLU 39 H GLU 39 13.998 0.099 22.708
839 HA GLU 39 HA GLU 39 13.623 0.627 25.578
840 HB2 GLU 39 HB2 GLU 39 15.804 -0.122 24.666
841 HB3 GLU 39 HB3 GLU 39 15.918 1.371 23.720
842 HG2 GLU 39 HG2 GLU 39 15.999 2.728 25.733
843 HG3 GLU 39 HG3 GLU 39 15.711 1.312 26.748
844 H GLU 40 H GLU 40 13.381 2.646 26.522
845 HA GLU 40 HA GLU 40 12.714 4.932 24.722
846 HB2 GLU 40 HB2 GLU 40 11.334 4.077 27.276
847 HB3 GLU 40 HB3 GLU 40 11.070 5.622 26.474
848 HG2 GLU 40 HG2 GLU 40 10.227 4.519 24.473
849 HG3 GLU 40 HG3 GLU 40 10.599 2.928 25.129
850 H HIS 41 H HIS 41 13.297 6.948 25.288
851 HA HIS 41 HA HIS 41 14.610 7.493 27.884
852 HB2 HIS 41 HB2 HIS 41 15.866 8.264 25.220
853 HB3 HIS 41 HB3 HIS 41 16.391 8.804 26.803
854 HD2 HIS 41 HD2 HIS 41 16.507 5.751 24.480
855 HE1 HIS 41 HE1 HIS 41 19.020 4.839 27.804
856 HE2 HIS 41 HE2 HIS 41 18.235 4.032 25.522
857 H ALA 42 H ALA 42 14.568 9.730 28.461
858 HA ALA 42 HA ALA 42 12.795 11.503 26.893
859 HB1 ALA 42 HB1 ALA 42 11.317 10.227 28.384
860 HB2 ALA 42 HB2 ALA 42 12.290 10.715 29.787
861 HB3 ALA 42 HB3 ALA 42 11.388 11.937 28.869
862 H PHE 43 H PHE 43 13.043 13.655 27.193
863 HA PHE 43 HA PHE 43 15.343 14.638 28.829
864 HB2 PHE 43 HB2 PHE 43 14.967 15.053 25.847
865 HB3 PHE 43 HB3 PHE 43 16.263 15.697 26.855
866 HD1 PHE 43 HD1 PHE 43 15.115 12.862 24.897
867 HD2 PHE 43 HD2 PHE 43 17.884 14.063 27.986
868 HE1 PHE 43 HE1 PHE 43 16.410 10.771 24.564
869 HE2 PHE 43 HE2 PHE 43 19.171 11.970 27.636
870 HZ PHE 43 HZ PHE 43 18.432 10.319 25.932
871 HA PRO 44 HA PRO 44 11.983 17.687 29.313
872 HB2 PRO 44 HB2 PRO 44 13.666 18.332 31.711
873 HB3 PRO 44 HB3 PRO 44 11.878 18.214 31.587
874 HG2 PRO 44 HG2 PRO 44 13.298 16.203 32.707
875 HG3 PRO 44 HG3 PRO 44 11.975 15.817 31.556
876 HD2 PRO 44 HD2 PRO 44 14.957 15.959 31.006
877 HD3 PRO 44 HD3 PRO 44 13.788 14.690 30.547
878 H GLY 45 H GLY 45 11.902 19.898 28.920
879 HA2 GLY 45 HA2 GLY 45 12.612 22.069 28.571
880 HA3 GLY 45 HA3 GLY 45 14.273 21.625 28.956
881 H LEU 46 H LEU 46 13.028 19.511 26.598
882 HA LEU 46 HA LEU 46 14.328 21.042 24.397
883 HB2 LEU 46 HB2 LEU 46 14.025 18.041 24.713
884 HB3 LEU 46 HB3 LEU 46 14.789 18.857 23.365
885 HG LEU 46 HG LEU 46 15.818 18.704 26.218
886 HD11 LEU 46 HD11 LEU 46 17.031 17.827 23.566
887 HD12 LEU 46 HD12 LEU 46 17.647 17.503 25.194
888 HD13 LEU 46 HD13 LEU 46 16.139 16.747 24.647
889 HD21 LEU 46 HD21 LEU 46 17.831 19.931 25.347
890 HD22 LEU 46 HD22 LEU 46 16.933 20.279 23.846
891 HD23 LEU 46 HD23 LEU 46 16.390 20.948 25.406
892 H ALA 47 H ALA 47 13.626 20.694 22.274
893 HA ALA 47 HA ALA 47 11.022 19.448 21.701
894 HB1 ALA 47 HB1 ALA 47 11.706 22.311 20.911
895 HB2 ALA 47 HB2 ALA 47 10.277 21.393 20.381
896 HB3 ALA 47 HB3 ALA 47 10.467 21.822 22.095
897 H ILE 48 H ILE 48 10.851 18.926 19.358
898 HA ILE 48 HA ILE 48 13.412 18.137 18.204
899 HB ILE 48 HB ILE 48 10.622 18.087 17.030
900 HG12 ILE 48 HG12 ILE 48 12.173 15.644 17.931
901 HG13 ILE 48 HG13 ILE 48 11.240 16.561 19.093
902 HG21 ILE 48 HG21 ILE 48 11.641 16.444 15.382
903 HG22 ILE 48 HG22 ILE 48 12.253 18.082 15.203
904 HG23 ILE 48 HG23 ILE 48 13.237 16.857 16.036
905 HD11 ILE 48 HD11 ILE 48 10.107 15.245 16.593
906 HD12 ILE 48 HD12 ILE 48 9.866 14.746 18.273
907 HD13 ILE 48 HD13 ILE 48 9.187 16.277 17.716
908 H GLY 49 H GLY 49 14.725 19.322 16.963
909 HA2 GLY 49 HA2 GLY 49 13.891 22.106 16.322
910 HA3 GLY 49 HA3 GLY 49 15.524 21.507 16.616
911 H ARG 50 H ARG 50 15.766 19.420 14.800
912 HA ARG 50 HA ARG 50 15.103 20.494 12.114
913 HB2 ARG 50 HB2 ARG 50 17.114 21.710 12.917
914 HB3 ARG 50 HB3 ARG 50 17.973 20.193 13.114
915 HG2 ARG 50 HG2 ARG 50 16.800 20.812 10.402
916 HG3 ARG 50 HG3 ARG 50 18.161 21.790 10.964
917 HD2 ARG 50 HD2 ARG 50 19.472 19.709 11.345
918 HD3 ARG 50 HD3 ARG 50 18.158 18.762 10.617
919 HE ARG 50 HE ARG 50 18.704 20.736 8.724
920 HH11 ARG 50 HH11 ARG 50 20.726 18.227 10.165
921 HH12 ARG 50 HH12 ARG 50 21.746 18.180 8.741
922 HH21 ARG 50 HH21 ARG 50 19.946 20.614 7.094
923 HH22 ARG 50 HH22 ARG 50 21.204 19.389 6.952
924 H VAL 51 H VAL 51 15.120 19.044 10.503
925 HA VAL 51 HA VAL 51 15.892 16.214 11.061
926 HB VAL 51 HB VAL 51 13.266 17.127 9.823
927 HG11 VAL 51 HG11 VAL 51 12.674 14.675 10.073
928 HG12 VAL 51 HG12 VAL 51 13.922 15.008 8.871
929 HG13 VAL 51 HG13 VAL 51 14.367 14.366 10.458
930 HG21 VAL 51 HG21 VAL 51 12.145 16.229 11.785
931 HG22 VAL 51 HG22 VAL 51 13.710 15.866 12.549
932 HG23 VAL 51 HG23 VAL 51 13.208 17.543 12.245
933 H ASP 52 H ASP 52 17.029 15.338 9.410
934 HA ASP 52 HA ASP 52 16.776 16.539 6.667
935 HB2 ASP 52 HB2 ASP 52 18.746 17.386 7.888
936 HB3 ASP 52 HB3 ASP 52 19.371 15.740 8.026
937 H LEU 53 H LEU 53 15.942 15.128 5.390
938 HA LEU 53 HA LEU 53 15.940 12.266 5.978
939 HB2 LEU 53 HB2 LEU 53 14.667 13.892 3.727
940 HB3 LEU 53 HB3 LEU 53 14.396 12.196 4.035
941 HG LEU 53 HG LEU 53 12.516 13.300 4.827
942 HD11 LEU 53 HD11 LEU 53 14.153 12.799 7.341
943 HD12 LEU 53 HD12 LEU 53 12.392 12.761 7.185
944 HD13 LEU 53 HD13 LEU 53 13.361 11.541 6.350
945 HD21 LEU 53 HD21 LEU 53 13.365 15.592 4.998
946 HD22 LEU 53 HD22 LEU 53 12.375 15.121 6.376
947 HD23 LEU 53 HD23 LEU 53 14.119 15.205 6.564
948 H ARG 54 H ARG 54 17.982 14.287 4.137
949 HA ARG 54 HA ARG 54 18.801 12.345 2.087
950 HB2 ARG 54 HB2 ARG 54 20.214 14.826 3.140
951 HB3 ARG 54 HB3 ARG 54 20.623 13.961 1.673
952 HG2 ARG 54 HG2 ARG 54 18.647 14.628 0.538
953 HG3 ARG 54 HG3 ARG 54 17.846 15.184 2.010
954 HD2 ARG 54 HD2 ARG 54 20.320 16.484 0.802
955 HD3 ARG 54 HD3 ARG 54 18.645 17.035 0.580
956 HE ARG 54 HE ARG 54 19.487 16.739 3.387
957 HH11 ARG 54 HH11 ARG 54 18.879 19.093 0.831
958 HH12 ARG 54 HH12 ARG 54 18.865 20.396 1.993
959 HH21 ARG 54 HH21 ARG 54 19.747 18.435 4.651
960 HH22 ARG 54 HH22 ARG 54 19.165 20.018 4.127
961 H SER 55 H SER 55 19.642 12.998 5.394
962 HA SER 55 HA SER 55 21.828 10.946 5.325
963 HB2 SER 55 HB2 SER 55 21.523 13.354 7.151
964 HB3 SER 55 HB3 SER 55 22.852 12.187 7.181
965 HG SER 55 HG SER 55 23.480 12.864 5.131
966 H GLY 56 H GLY 56 18.726 11.615 6.725
967 HA2 GLY 56 HA2 GLY 56 17.465 10.332 8.180
968 HA3 GLY 56 HA3 GLY 56 18.770 9.156 8.314
969 H VAL 57 H VAL 57 19.091 12.631 9.027
970 HA VAL 57 HA VAL 57 19.785 11.973 11.873
971 HB VAL 57 HB VAL 57 20.728 14.268 10.110
972 HG11 VAL 57 HG11 VAL 57 20.561 15.097 12.396
973 HG12 VAL 57 HG12 VAL 57 21.332 13.629 13.036
974 HG13 VAL 57 HG13 VAL 57 22.254 14.772 12.029
975 HG21 VAL 57 HG21 VAL 57 21.825 12.080 9.624
976 HG22 VAL 57 HG22 VAL 57 22.941 13.218 10.388
977 HG23 VAL 57 HG23 VAL 57 22.232 11.911 11.347
978 H ILE 58 H ILE 58 18.843 12.939 13.511
979 HA ILE 58 HA ILE 58 16.947 15.196 13.085
980 HB ILE 58 HB ILE 58 16.611 12.768 14.874
981 HG12 ILE 58 HG12 ILE 58 14.922 13.849 12.584
982 HG13 ILE 58 HG13 ILE 58 15.944 12.411 12.532
983 HG21 ILE 58 HG21 ILE 58 15.948 14.747 16.165
984 HG22 ILE 58 HG22 ILE 58 14.976 15.342 14.790
985 HG23 ILE 58 HG23 ILE 58 14.518 13.883 15.672
986 HD11 ILE 58 HD11 ILE 58 13.720 11.658 12.736
987 HD12 ILE 58 HD12 ILE 58 14.469 11.398 14.326
988 HD13 ILE 58 HD13 ILE 58 13.365 12.775 14.068
989 H SER 59 H SER 59 17.205 16.874 14.434
990 HA SER 59 HA SER 59 19.167 16.656 16.715
991 HB2 SER 59 HB2 SER 59 20.184 17.757 14.743
992 HB3 SER 59 HB3 SER 59 18.881 18.958 14.768
993 HG SER 59 HG SER 59 20.767 19.679 15.882
994 H LEU 60 H LEU 60 18.540 17.458 18.606
995 HA LEU 60 HA LEU 60 15.877 18.771 18.842
996 HB2 LEU 60 HB2 LEU 60 17.643 17.715 21.064
997 HB3 LEU 60 HB3 LEU 60 15.949 18.195 21.161
998 HG LEU 60 HG LEU 60 17.076 15.735 19.773
999 HD11 LEU 60 HD11 LEU 60 15.189 16.080 22.140
1000 HD12 LEU 60 HD12 LEU 60 15.755 14.530 21.459
1001 HD13 LEU 60 HD13 LEU 60 16.889 15.629 22.248
1002 HD21 LEU 60 HD21 LEU 60 15.192 16.517 18.436
1003 HD22 LEU 60 HD22 LEU 60 14.706 15.100 19.362
1004 HD23 LEU 60 HD23 LEU 60 14.187 16.717 19.900
1005 H ILE 61 H ILE 61 15.551 20.592 20.121
1006 HA ILE 61 HA ILE 61 17.886 22.339 20.749
1007 HB ILE 61 HB ILE 61 16.648 24.302 19.913
1008 HG12 ILE 61 HG12 ILE 61 15.014 23.761 17.944
1009 HG13 ILE 61 HG13 ILE 61 14.682 22.262 18.796
1010 HG21 ILE 61 HG21 ILE 61 17.297 24.017 17.596
1011 HG22 ILE 61 HG22 ILE 61 18.480 23.258 18.666
1012 HG23 ILE 61 HG23 ILE 61 17.330 22.241 17.785
1013 HD11 ILE 61 HD11 ILE 61 13.872 23.570 20.749
1014 HD12 ILE 61 HD12 ILE 61 14.318 25.072 19.925
1015 HD13 ILE 61 HD13 ILE 61 13.029 24.041 19.266
1016 H GLU 62 H GLU 62 17.403 24.023 22.326
1017 HA GLU 62 HA GLU 62 15.702 23.083 24.484
1018 HB2 GLU 62 HB2 GLU 62 17.181 25.709 24.100
1019 HB3 GLU 62 HB3 GLU 62 16.297 25.227 25.568
1020 HG2 GLU 62 HG2 GLU 62 17.756 23.217 25.793
1021 HG3 GLU 62 HG3 GLU 62 18.695 23.754 24.390
1022 H GLU 63 H GLU 63 13.631 23.602 24.992
1023 HA GLU 63 HA GLU 63 11.982 24.654 22.902
1024 HB2 GLU 63 HB2 GLU 63 10.133 24.097 24.309
1025 HB3 GLU 63 HB3 GLU 63 11.358 22.849 24.399
1026 HG2 GLU 63 HG2 GLU 63 10.701 22.989 26.578
1027 HG3 GLU 63 HG3 GLU 63 12.163 23.961 26.579
1028 H GLN 64 H GLN 64 13.585 26.316 25.397
1029 HA GLN 64 HA GLN 64 12.628 28.815 24.154
1030 HB2 GLN 64 HB2 GLN 64 13.071 28.460 27.142
1031 HB3 GLN 64 HB3 GLN 64 13.047 30.029 26.336
1032 HG2 GLN 64 HG2 GLN 64 10.695 28.070 26.354
1033 HG3 GLN 64 HG3 GLN 64 10.904 29.421 27.463
1034 HE21 GLN 64 HE21 GLN 64 10.096 28.555 24.141
1035 HE22 GLN 64 HE22 GLN 64 9.549 30.172 23.679
1036 H ASN 65 H ASN 65 14.279 29.867 23.299
1037 HA ASN 65 HA ASN 65 17.074 29.367 24.191
1038 HB2 ASN 65 HB2 ASN 65 17.683 28.786 21.821
1039 HB3 ASN 65 HB3 ASN 65 16.650 27.607 22.612
1040 HD21 ASN 65 HD21 ASN 65 14.791 26.987 21.561
1041 HD22 ASN 65 HD22 ASN 65 14.134 27.843 20.169
1042 H ARG 66 H ARG 66 15.188 31.707 24.156
1043 HA ARG 66 HA ARG 66 16.142 33.687 22.259
1044 HB2 ARG 66 HB2 ARG 66 14.525 33.868 24.836
1045 HB3 ARG 66 HB3 ARG 66 14.873 35.250 23.785
1046 HG2 ARG 66 HG2 ARG 66 13.699 34.186 21.911
1047 HG3 ARG 66 HG3 ARG 66 13.364 32.746 22.892
1048 HD2 ARG 66 HD2 ARG 66 12.370 35.548 23.563
1049 HD3 ARG 66 HD3 ARG 66 11.449 34.337 22.674
1050 HE ARG 66 HE ARG 66 11.334 32.935 24.625
1051 HH11 ARG 66 HH11 ARG 66 10.899 32.751 26.683
1052 HH12 ARG 66 HH12 ARG 66 11.324 34.013 27.834
1053 HH21 ARG 66 HH21 ARG 66 12.646 36.098 25.447
1054 HH22 ARG 66 HH22 ARG 66 12.245 35.869 27.134
Start of MODEL 4
1 H1 GLY -3 H1 GLY -3 11.900 9.172 -7.895
2 H2 GLY -3 H2 GLY -3 12.086 9.071 -9.511
3 H3 GLY -3 H3 GLY -3 12.689 10.361 -8.699
4 HA2 GLY -3 HA2 GLY -3 14.486 8.890 -9.282
5 HA3 GLY -3 HA3 GLY -3 14.270 8.974 -7.531
6 HA PRO -2 HA PRO -2 14.427 4.510 -8.905
7 HB2 PRO -2 HB2 PRO -2 16.082 4.413 -6.388
8 HB3 PRO -2 HB3 PRO -2 16.325 3.543 -7.936
9 HG2 PRO -2 HG2 PRO -2 17.831 5.710 -7.354
10 HG3 PRO -2 HG3 PRO -2 17.151 5.522 -9.002
11 HD2 PRO -2 HD2 PRO -2 16.078 7.185 -6.706
12 HD3 PRO -2 HD3 PRO -2 16.310 7.658 -8.415
13 H GLY -1 H GLY -1 13.180 2.800 -8.116
14 HA2 GLY -1 HA2 GLY -1 11.079 3.369 -6.282
15 HA3 GLY -1 HA3 GLY -1 11.460 1.794 -6.989
16 H SER 0 H SER 0 14.222 1.981 -5.660
17 HA SER 0 HA SER 0 13.578 0.741 -3.109
18 HB2 SER 0 HB2 SER 0 15.456 0.024 -4.551
19 HB3 SER 0 HB3 SER 0 16.247 1.590 -4.302
20 HG SER 0 HG SER 0 17.025 -0.110 -2.915
21 H MET 1 H MET 1 14.397 3.974 -4.102
22 HA MET 1 HA MET 1 15.211 4.903 -1.421
23 HB2 MET 1 HB2 MET 1 14.897 6.385 -4.065
24 HB3 MET 1 HB3 MET 1 15.455 7.093 -2.559
25 HG2 MET 1 HG2 MET 1 17.353 5.495 -2.493
26 HG3 MET 1 HG3 MET 1 16.802 4.785 -4.007
27 HE1 MET 1 HE1 MET 1 18.734 8.980 -3.536
28 HE2 MET 1 HE2 MET 1 17.118 8.648 -2.885
29 HE3 MET 1 HE3 MET 1 18.535 7.803 -2.226
30 H CYS 2 H CYS 2 14.183 6.591 -0.285
31 HA CYS 2 HA CYS 2 11.580 7.596 -1.087
32 HB2 CYS 2 HB2 CYS 2 10.372 6.818 0.921
33 HB3 CYS 2 HB3 CYS 2 10.872 5.481 -0.111
34 HG CYS 2 HG CYS 2 12.329 6.604 2.646
35 H MET 3 H MET 3 10.829 9.318 0.158
36 HA MET 3 HA MET 3 12.676 10.576 2.153
37 HB2 MET 3 HB2 MET 3 11.280 11.779 -0.259
38 HB3 MET 3 HB3 MET 3 11.471 12.736 1.199
39 HG2 MET 3 HG2 MET 3 13.319 13.275 -0.128
40 HG3 MET 3 HG3 MET 3 13.916 12.292 1.196
41 HE1 MET 3 HE1 MET 3 13.721 11.144 -3.285
42 HE2 MET 3 HE2 MET 3 12.247 11.441 -2.340
43 HE3 MET 3 HE3 MET 3 13.416 12.753 -2.592
44 H ALA 4 H ALA 4 11.469 12.127 3.592
45 HA ALA 4 HA ALA 4 9.117 10.785 4.704
46 HB1 ALA 4 HB1 ALA 4 10.549 13.350 5.526
47 HB2 ALA 4 HB2 ALA 4 9.385 12.418 6.499
48 HB3 ALA 4 HB3 ALA 4 10.950 11.706 6.105
49 H LYS 5 H LYS 5 7.251 12.241 5.439
50 HA LYS 5 HA LYS 5 6.778 14.592 3.688
51 HB2 LYS 5 HB2 LYS 5 4.476 14.185 3.376
52 HB3 LYS 5 HB3 LYS 5 5.351 12.769 2.789
53 HG2 LYS 5 HG2 LYS 5 4.684 11.491 4.781
54 HG3 LYS 5 HG3 LYS 5 3.953 12.937 5.513
55 HD2 LYS 5 HD2 LYS 5 2.387 13.111 3.596
56 HD3 LYS 5 HD3 LYS 5 3.031 11.590 2.942
57 HE2 LYS 5 HE2 LYS 5 2.273 10.369 4.914
58 HE3 LYS 5 HE3 LYS 5 1.809 11.876 5.718
59 HZ1 LYS 5 HZ1 LYS 5 0.165 12.247 3.982
60 HZ2 LYS 5 HZ2 LYS 5 0.546 10.842 3.245
61 HZ3 LYS 5 HZ3 LYS 5 -0.128 10.814 4.734
62 H VAL 6 H VAL 6 5.658 16.278 4.614
63 HA VAL 6 HA VAL 6 5.478 16.275 7.606
64 HB VAL 6 HB VAL 6 6.011 18.518 5.654
65 HG11 VAL 6 HG11 VAL 6 6.074 20.036 7.622
66 HG12 VAL 6 HG12 VAL 6 4.453 19.450 7.286
67 HG13 VAL 6 HG13 VAL 6 5.390 18.733 8.615
68 HG21 VAL 6 HG21 VAL 6 8.044 18.834 6.903
69 HG22 VAL 6 HG22 VAL 6 7.568 17.633 8.111
70 HG23 VAL 6 HG23 VAL 6 7.970 17.119 6.460
71 H VAL 7 H VAL 7 3.567 16.682 8.573
72 HA VAL 7 HA VAL 7 1.315 17.785 6.980
73 HB VAL 7 HB VAL 7 0.938 15.410 7.070
74 HG11 VAL 7 HG11 VAL 7 0.939 15.628 10.124
75 HG12 VAL 7 HG12 VAL 7 0.424 14.224 9.175
76 HG13 VAL 7 HG13 VAL 7 2.104 14.734 9.109
77 HG21 VAL 7 HG21 VAL 7 -1.314 15.393 7.903
78 HG22 VAL 7 HG22 VAL 7 -1.005 16.745 9.004
79 HG23 VAL 7 HG23 VAL 7 -1.009 16.998 7.243
80 H LEU 8 H LEU 8 -0.119 19.115 8.058
81 HA LEU 8 HA LEU 8 0.281 19.694 10.929
82 HB2 LEU 8 HB2 LEU 8 0.620 22.059 10.598
83 HB3 LEU 8 HB3 LEU 8 1.852 21.142 9.748
84 HG LEU 8 HG LEU 8 0.093 21.455 7.702
85 HD11 LEU 8 HD11 LEU 8 -1.525 22.839 8.974
86 HD12 LEU 8 HD12 LEU 8 -0.236 23.967 9.417
87 HD13 LEU 8 HD13 LEU 8 -0.740 23.798 7.722
88 HD21 LEU 8 HD21 LEU 8 2.471 22.045 7.646
89 HD22 LEU 8 HD22 LEU 8 1.479 23.310 6.921
90 HD23 LEU 8 HD23 LEU 8 2.125 23.536 8.560
91 H THR 9 H THR 9 -1.403 20.888 11.901
92 HA THR 9 HA THR 9 -3.955 21.096 10.358
93 HB THR 9 HB THR 9 -3.784 20.556 13.338
94 HG1 THR 9 HG1 THR 9 -3.034 18.769 12.229
95 HG21 THR 9 HG21 THR 9 -6.073 20.401 11.313
96 HG22 THR 9 HG22 THR 9 -6.171 19.908 13.019
97 HG23 THR 9 HG23 THR 9 -5.898 21.605 12.606
98 H LYS 10 H LYS 10 -4.805 23.035 10.243
99 HA LYS 10 HA LYS 10 -3.528 25.385 11.485
100 HB2 LYS 10 HB2 LYS 10 -5.896 25.033 9.618
101 HB3 LYS 10 HB3 LYS 10 -5.213 26.596 10.081
102 HG2 LYS 10 HG2 LYS 10 -3.008 25.846 9.085
103 HG3 LYS 10 HG3 LYS 10 -3.840 24.415 8.441
104 HD2 LYS 10 HD2 LYS 10 -4.528 27.317 7.818
105 HD3 LYS 10 HD3 LYS 10 -3.633 26.209 6.759
106 HE2 LYS 10 HE2 LYS 10 -5.583 24.744 6.551
107 HE3 LYS 10 HE3 LYS 10 -6.492 25.725 7.726
108 HZ1 LYS 10 HZ1 LYS 10 -6.410 27.581 6.197
109 HZ2 LYS 10 HZ2 LYS 10 -5.556 26.713 5.095
110 HZ3 LYS 10 HZ3 LYS 10 -7.100 26.300 5.455
111 H ALA 11 H ALA 11 -4.867 27.102 12.461
112 HA ALA 11 HA ALA 11 -6.247 26.226 14.786
113 HB1 ALA 11 HB1 ALA 11 -4.996 28.332 14.609
114 HB2 ALA 11 HB2 ALA 11 -6.171 28.961 13.436
115 HB3 ALA 11 HB3 ALA 11 -6.665 28.647 15.106
116 H ASP 12 H ASP 12 -7.546 26.962 11.570
117 HA ASP 12 HA ASP 12 -10.340 27.050 12.456
118 HB2 ASP 12 HB2 ASP 12 -10.859 27.351 10.123
119 HB3 ASP 12 HB3 ASP 12 -9.592 28.456 10.611
120 H GLY 13 H GLY 13 -8.238 24.500 12.206
121 HA2 GLY 13 HA2 GLY 13 -8.693 22.242 12.447
122 HA3 GLY 13 HA3 GLY 13 -10.364 22.489 11.954
123 H GLY 14 H GLY 14 -8.519 23.993 9.566
124 HA2 GLY 14 HA2 GLY 14 -8.757 21.814 7.632
125 HA3 GLY 14 HA3 GLY 14 -8.028 23.398 7.372
126 H ARG 15 H ARG 15 -6.916 21.024 6.373
127 HA ARG 15 HA ARG 15 -4.343 20.804 7.889
128 HB2 ARG 15 HB2 ARG 15 -6.037 18.535 6.780
129 HB3 ARG 15 HB3 ARG 15 -4.306 18.364 7.108
130 HG2 ARG 15 HG2 ARG 15 -4.655 19.071 9.436
131 HG3 ARG 15 HG3 ARG 15 -6.405 19.174 9.166
132 HD2 ARG 15 HD2 ARG 15 -6.553 16.798 8.783
133 HD3 ARG 15 HD3 ARG 15 -4.777 16.635 8.738
134 HE ARG 15 HE ARG 15 -5.101 17.728 11.174
135 HH11 ARG 15 HH11 ARG 15 -6.665 14.884 9.830
136 HH12 ARG 15 HH12 ARG 15 -6.829 14.141 11.400
137 HH21 ARG 15 HH21 ARG 15 -5.335 16.753 13.077
138 HH22 ARG 15 HH22 ARG 15 -6.069 15.172 13.212
139 H VAL 16 H VAL 16 -2.511 20.297 6.810
140 HA VAL 16 HA VAL 16 -2.441 20.677 3.863
141 HB VAL 16 HB VAL 16 -0.713 22.279 5.793
142 HG11 VAL 16 HG11 VAL 16 0.462 21.806 3.698
143 HG12 VAL 16 HG12 VAL 16 -0.926 22.384 2.759
144 HG13 VAL 16 HG13 VAL 16 -0.006 23.501 3.773
145 HG21 VAL 16 HG21 VAL 16 -1.908 24.275 4.931
146 HG22 VAL 16 HG22 VAL 16 -3.034 23.209 4.065
147 HG23 VAL 16 HG23 VAL 16 -2.967 23.217 5.848
148 H GLU 17 H GLU 17 -0.796 19.582 2.854
149 HA GLU 17 HA GLU 17 1.160 18.067 4.515
150 HB2 GLU 17 HB2 GLU 17 -0.479 16.926 2.224
151 HB3 GLU 17 HB3 GLU 17 0.899 16.132 2.989
152 HG2 GLU 17 HG2 GLU 17 -0.305 16.165 5.166
153 HG3 GLU 17 HG3 GLU 17 -1.721 16.865 4.372
154 H ILE 18 H ILE 18 3.129 17.681 3.656
155 HA ILE 18 HA ILE 18 3.844 18.817 0.981
156 HB ILE 18 HB ILE 18 5.477 19.157 3.534
157 HG12 ILE 18 HG12 ILE 18 5.048 21.712 2.761
158 HG13 ILE 18 HG13 ILE 18 3.543 21.030 2.173
159 HG21 ILE 18 HG21 ILE 18 5.936 20.187 0.707
160 HG22 ILE 18 HG22 ILE 18 6.942 20.548 2.131
161 HG23 ILE 18 HG23 ILE 18 6.852 18.895 1.512
162 HD11 ILE 18 HD11 ILE 18 4.639 20.976 5.026
163 HD12 ILE 18 HD12 ILE 18 3.252 21.904 4.430
164 HD13 ILE 18 HD13 ILE 18 3.143 20.145 4.543
165 H GLY 19 H GLY 19 4.404 17.084 -0.188
166 HA2 GLY 19 HA2 GLY 19 5.366 14.611 1.089
167 HA3 GLY 19 HA3 GLY 19 4.896 14.823 -0.586
168 H ASP 20 H ASP 20 7.145 13.388 0.334
169 HA ASP 20 HA ASP 20 9.319 13.010 -0.075
170 HB2 ASP 20 HB2 ASP 20 8.641 14.563 -2.571
171 HB3 ASP 20 HB3 ASP 20 10.042 13.495 -2.378
172 H VAL 21 H VAL 21 9.362 14.631 1.791
173 HA VAL 21 HA VAL 21 10.804 17.118 1.521
174 HB VAL 21 HB VAL 21 9.987 15.371 3.869
175 HG11 VAL 21 HG11 VAL 21 11.909 16.617 4.637
176 HG12 VAL 21 HG12 VAL 21 11.272 18.129 3.938
177 HG13 VAL 21 HG13 VAL 21 10.459 17.332 5.313
178 HG21 VAL 21 HG21 VAL 21 8.329 17.181 4.218
179 HG22 VAL 21 HG22 VAL 21 8.931 18.012 2.764
180 HG23 VAL 21 HG23 VAL 21 8.139 16.436 2.637
181 H LEU 22 H LEU 22 12.905 17.465 1.423
182 HA LEU 22 HA LEU 22 14.893 15.356 2.137
183 HB2 LEU 22 HB2 LEU 22 15.153 18.110 0.843
184 HB3 LEU 22 HB3 LEU 22 16.523 17.094 1.288
185 HG LEU 22 HG LEU 22 14.392 16.336 -0.762
186 HD11 LEU 22 HD11 LEU 22 17.289 17.260 -1.043
187 HD12 LEU 22 HD12 LEU 22 16.278 16.687 -2.379
188 HD13 LEU 22 HD13 LEU 22 15.844 18.174 -1.518
189 HD21 LEU 22 HD21 LEU 22 15.419 14.323 0.290
190 HD22 LEU 22 HD22 LEU 22 15.939 14.521 -1.384
191 HD23 LEU 22 HD23 LEU 22 17.033 14.966 -0.058
192 H GLU 23 H GLU 23 13.584 18.409 3.340
193 HA GLU 23 HA GLU 23 15.138 18.160 5.839
194 HB2 GLU 23 HB2 GLU 23 16.687 19.332 4.422
195 HB3 GLU 23 HB3 GLU 23 15.443 20.454 3.870
196 HG2 GLU 23 HG2 GLU 23 15.271 21.427 6.135
197 HG3 GLU 23 HG3 GLU 23 16.470 20.284 6.728
198 H VAL 24 H VAL 24 14.143 19.032 7.581
199 HA VAL 24 HA VAL 24 12.148 21.180 7.243
200 HB VAL 24 HB VAL 24 10.830 19.112 7.244
201 HG11 VAL 24 HG11 VAL 24 12.024 18.598 9.972
202 HG12 VAL 24 HG12 VAL 24 10.594 17.796 9.324
203 HG13 VAL 24 HG13 VAL 24 12.147 17.611 8.491
204 HG21 VAL 24 HG21 VAL 24 9.196 19.725 8.906
205 HG22 VAL 24 HG22 VAL 24 10.388 20.644 9.834
206 HG23 VAL 24 HG23 VAL 24 9.882 21.206 8.227
207 H ARG 25 H ARG 25 12.013 22.578 9.027
208 HA ARG 25 HA ARG 25 13.420 21.935 11.509
209 HB2 ARG 25 HB2 ARG 25 14.863 24.036 11.357
210 HB3 ARG 25 HB3 ARG 25 15.362 22.645 10.409
211 HG2 ARG 25 HG2 ARG 25 14.435 23.603 8.370
212 HG3 ARG 25 HG3 ARG 25 13.787 24.993 9.248
213 HD2 ARG 25 HD2 ARG 25 15.850 25.998 9.446
214 HD3 ARG 25 HD3 ARG 25 16.716 24.464 9.585
215 HE ARG 25 HE ARG 25 16.642 24.161 7.201
216 HH11 ARG 25 HH11 ARG 25 15.538 27.456 7.975
217 HH12 ARG 25 HH12 ARG 25 15.756 27.904 6.306
218 HH21 ARG 25 HH21 ARG 25 16.905 24.808 5.310
219 HH22 ARG 25 HH22 ARG 25 16.542 26.453 4.801
220 H ALA 26 H ALA 26 12.887 23.085 13.221
221 HA ALA 26 HA ALA 26 10.749 25.165 13.047
222 HB1 ALA 26 HB1 ALA 26 11.766 23.534 15.410
223 HB2 ALA 26 HB2 ALA 26 10.465 24.741 15.443
224 HB3 ALA 26 HB3 ALA 26 10.267 23.240 14.515
225 H GLU 27 H GLU 27 11.488 27.175 13.019
226 HA GLU 27 HA GLU 27 14.094 27.967 14.241
227 HB2 GLU 27 HB2 GLU 27 14.593 26.858 12.116
228 HB3 GLU 27 HB3 GLU 27 13.365 27.816 11.300
229 HG2 GLU 27 HG2 GLU 27 14.761 29.883 11.840
230 HG3 GLU 27 HG3 GLU 27 15.989 28.791 12.483
231 H GLY 28 H GLY 28 13.666 29.864 15.270
232 HA2 GLY 28 HA2 GLY 28 13.112 32.064 15.576
233 HA3 GLY 28 HA3 GLY 28 12.900 32.200 13.828
234 H GLY 29 H GLY 29 10.916 30.014 15.814
235 HA2 GLY 29 HA2 GLY 29 8.713 30.146 16.529
236 HA3 GLY 29 HA3 GLY 29 8.633 31.827 16.010
237 H ALA 30 H ALA 30 9.733 29.585 13.621
238 HA ALA 30 HA ALA 30 7.044 28.994 12.530
239 HB1 ALA 30 HB1 ALA 30 9.302 30.279 10.939
240 HB2 ALA 30 HB2 ALA 30 7.723 29.775 10.297
241 HB3 ALA 30 HB3 ALA 30 7.837 31.124 11.463
242 H VAL 31 H VAL 31 7.005 27.171 11.103
243 HA VAL 31 HA VAL 31 9.496 25.526 11.068
244 HB VAL 31 HB VAL 31 6.648 24.704 10.481
245 HG11 VAL 31 HG11 VAL 31 7.641 22.398 10.190
246 HG12 VAL 31 HG12 VAL 31 8.059 23.502 8.882
247 HG13 VAL 31 HG13 VAL 31 9.245 23.127 10.157
248 HG21 VAL 31 HG21 VAL 31 8.724 23.772 12.531
249 HG22 VAL 31 HG22 VAL 31 7.380 24.866 12.869
250 HG23 VAL 31 HG23 VAL 31 7.055 23.193 12.388
251 H ARG 32 H ARG 32 10.589 25.101 9.259
252 HA ARG 32 HA ARG 32 9.507 26.021 6.618
253 HB2 ARG 32 HB2 ARG 32 12.372 26.352 7.590
254 HB3 ARG 32 HB3 ARG 32 11.794 26.656 5.945
255 HG2 ARG 32 HG2 ARG 32 10.221 28.393 6.840
256 HG3 ARG 32 HG3 ARG 32 10.868 28.107 8.464
257 HD2 ARG 32 HD2 ARG 32 13.155 28.722 7.567
258 HD3 ARG 32 HD3 ARG 32 12.379 29.180 6.044
259 HE ARG 32 HE ARG 32 11.443 31.082 7.091
260 HH11 ARG 32 HH11 ARG 32 13.183 29.257 9.522
261 HH12 ARG 32 HH12 ARG 32 12.445 30.151 10.845
262 HH21 ARG 32 HH21 ARG 32 10.884 32.432 8.804
263 HH22 ARG 32 HH22 ARG 32 11.435 32.035 10.410
264 H VAL 33 H VAL 33 9.943 24.715 4.885
265 HA VAL 33 HA VAL 33 11.288 22.110 5.347
266 HB VAL 33 HB VAL 33 8.996 21.819 6.151
267 HG11 VAL 33 HG11 VAL 33 8.085 22.491 3.343
268 HG12 VAL 33 HG12 VAL 33 7.064 21.895 4.662
269 HG13 VAL 33 HG13 VAL 33 7.806 23.484 4.804
270 HG21 VAL 33 HG21 VAL 33 9.451 20.351 3.525
271 HG22 VAL 33 HG22 VAL 33 10.097 19.906 5.130
272 HG23 VAL 33 HG23 VAL 33 8.351 19.874 4.830
273 H THR 34 H THR 34 12.005 21.053 3.561
274 HA THR 34 HA THR 34 11.816 22.461 0.910
275 HB THR 34 HB THR 34 14.286 21.140 2.093
276 HG1 THR 34 HG1 THR 34 13.805 23.072 3.151
277 HG21 THR 34 HG21 THR 34 13.842 22.778 -0.435
278 HG22 THR 34 HG22 THR 34 15.442 22.367 0.228
279 HG23 THR 34 HG23 THR 34 14.368 21.083 -0.328
280 H THR 35 H THR 35 11.378 21.199 -0.784
281 HA THR 35 HA THR 35 11.099 18.248 -0.430
282 HB THR 35 HB THR 35 9.738 18.279 -2.398
283 HG1 THR 35 HG1 THR 35 10.171 21.074 -2.530
284 HG21 THR 35 HG21 THR 35 8.898 20.657 -0.688
285 HG22 THR 35 HG22 THR 35 7.867 19.633 -1.708
286 HG23 THR 35 HG23 THR 35 8.645 18.939 -0.270
287 H LEU 36 H LEU 36 11.624 16.858 -2.342
288 HA LEU 36 HA LEU 36 14.288 17.129 -3.254
289 HB2 LEU 36 HB2 LEU 36 14.007 15.129 -4.336
290 HB3 LEU 36 HB3 LEU 36 12.852 15.018 -3.023
291 HG LEU 36 HG LEU 36 12.265 15.603 -5.969
292 HD11 LEU 36 HD11 LEU 36 11.571 13.201 -4.246
293 HD12 LEU 36 HD12 LEU 36 11.196 13.426 -5.965
294 HD13 LEU 36 HD13 LEU 36 12.882 13.269 -5.437
295 HD21 LEU 36 HD21 LEU 36 10.403 15.466 -3.580
296 HD22 LEU 36 HD22 LEU 36 10.550 16.776 -4.743
297 HD23 LEU 36 HD23 LEU 36 9.842 15.250 -5.251
298 H PHE 37 H PHE 37 11.559 18.766 -4.504
299 HA PHE 37 HA PHE 37 12.596 19.181 -7.215
300 HB2 PHE 37 HB2 PHE 37 10.402 20.666 -5.728
301 HB3 PHE 37 HB3 PHE 37 10.684 20.660 -7.458
302 HD1 PHE 37 HD1 PHE 37 10.785 18.071 -8.473
303 HD2 PHE 37 HD2 PHE 37 8.564 19.413 -5.028
304 HE1 PHE 37 HE1 PHE 37 9.227 16.162 -8.742
305 HE2 PHE 37 HE2 PHE 37 6.995 17.505 -5.309
306 HZ PHE 37 HZ PHE 37 7.326 15.882 -7.165
307 H ASP 38 H ASP 38 13.632 20.308 -4.271
308 HA ASP 38 HA ASP 38 14.606 22.081 -3.378
309 HB2 ASP 38 HB2 ASP 38 15.143 23.230 -6.124
310 HB3 ASP 38 HB3 ASP 38 15.920 23.671 -4.614
311 H GLU 39 H GLU 39 11.688 22.094 -4.323
312 HA GLU 39 HA GLU 39 10.994 24.944 -4.066
313 HB2 GLU 39 HB2 GLU 39 9.601 23.558 -5.499
314 HB3 GLU 39 HB3 GLU 39 9.287 22.438 -4.189
315 HG2 GLU 39 HG2 GLU 39 7.345 23.777 -4.529
316 HG3 GLU 39 HG3 GLU 39 8.017 24.183 -2.969
317 H GLU 40 H GLU 40 9.962 25.837 -2.260
318 HA GLU 40 HA GLU 40 10.396 24.432 0.337
319 HB2 GLU 40 HB2 GLU 40 11.267 27.256 -0.412
320 HB3 GLU 40 HB3 GLU 40 11.294 26.578 1.233
321 HG2 GLU 40 HG2 GLU 40 12.895 24.872 0.553
322 HG3 GLU 40 HG3 GLU 40 12.849 25.433 -1.118
323 H HIS 41 H HIS 41 9.237 25.152 2.109
324 HA HIS 41 HA HIS 41 6.989 27.059 1.708
325 HB2 HIS 41 HB2 HIS 41 6.574 24.343 2.992
326 HB3 HIS 41 HB3 HIS 41 5.373 25.572 2.652
327 HD2 HIS 41 HD2 HIS 41 7.344 22.723 1.024
328 HE1 HIS 41 HE1 HIS 41 4.580 24.080 -1.934
329 HE2 HIS 41 HE2 HIS 41 6.279 22.262 -1.336
330 H ALA 42 H ALA 42 6.099 27.893 3.669
331 HA ALA 42 HA ALA 42 7.658 27.497 6.161
332 HB1 ALA 42 HB1 ALA 42 7.118 30.213 4.900
333 HB2 ALA 42 HB2 ALA 42 7.888 29.928 6.472
334 HB3 ALA 42 HB3 ALA 42 8.705 29.403 4.988
335 H PHE 43 H PHE 43 6.539 27.718 7.985
336 HA PHE 43 HA PHE 43 3.652 28.487 7.940
337 HB2 PHE 43 HB2 PHE 43 4.782 25.919 9.073
338 HB3 PHE 43 HB3 PHE 43 3.105 26.460 9.116
339 HD1 PHE 43 HD1 PHE 43 5.617 24.702 7.199
340 HD2 PHE 43 HD2 PHE 43 1.860 26.800 6.876
341 HE1 PHE 43 HE1 PHE 43 5.246 23.696 4.957
342 HE2 PHE 43 HE2 PHE 43 1.503 25.798 4.631
343 HZ PHE 43 HZ PHE 43 3.198 24.250 3.670
344 HA PRO 44 HA PRO 44 5.653 30.444 11.586
345 HB2 PRO 44 HB2 PRO 44 4.042 32.667 11.745
346 HB3 PRO 44 HB3 PRO 44 5.474 32.524 10.679
347 HG2 PRO 44 HG2 PRO 44 2.567 32.090 9.969
348 HG3 PRO 44 HG3 PRO 44 3.818 32.992 9.049
349 HD2 PRO 44 HD2 PRO 44 3.103 30.447 8.422
350 HD3 PRO 44 HD3 PRO 44 4.787 31.018 8.242
351 H GLY 45 H GLY 45 5.102 30.551 13.737
352 HA2 GLY 45 HA2 GLY 45 3.821 30.310 15.661
353 HA3 GLY 45 HA3 GLY 45 2.376 30.027 14.678
354 H LEU 46 H LEU 46 4.703 27.930 13.487
355 HA LEU 46 HA LEU 46 3.707 25.682 15.173
356 HB2 LEU 46 HB2 LEU 46 4.871 25.606 12.376
357 HB3 LEU 46 HB3 LEU 46 4.284 24.232 13.295
358 HG LEU 46 HG LEU 46 2.619 26.517 12.179
359 HD11 LEU 46 HD11 LEU 46 2.540 23.508 11.659
360 HD12 LEU 46 HD12 LEU 46 1.663 24.786 10.784
361 HD13 LEU 46 HD13 LEU 46 3.419 24.671 10.644
362 HD21 LEU 46 HD21 LEU 46 1.723 24.149 13.893
363 HD22 LEU 46 HD22 LEU 46 1.577 25.871 14.306
364 HD23 LEU 46 HD23 LEU 46 0.640 25.211 12.960
365 H ALA 47 H ALA 47 5.063 23.902 15.562
366 HA ALA 47 HA ALA 47 7.962 24.074 15.126
367 HB1 ALA 47 HB1 ALA 47 6.711 23.430 17.832
368 HB2 ALA 47 HB2 ALA 47 8.436 23.278 17.428
369 HB3 ALA 47 HB3 ALA 47 7.673 24.879 17.448
370 H ILE 48 H ILE 48 8.954 21.831 15.336
371 HA ILE 48 HA ILE 48 7.227 19.835 14.080
372 HB ILE 48 HB ILE 48 10.058 19.601 15.103
373 HG12 ILE 48 HG12 ILE 48 9.243 19.664 12.179
374 HG13 ILE 48 HG13 ILE 48 9.515 21.177 13.065
375 HG21 ILE 48 HG21 ILE 48 10.078 17.512 13.626
376 HG22 ILE 48 HG22 ILE 48 9.031 17.377 15.031
377 HG23 ILE 48 HG23 ILE 48 8.335 17.695 13.427
378 HD11 ILE 48 HD11 ILE 48 11.536 20.518 11.873
379 HD12 ILE 48 HD12 ILE 48 11.809 20.489 13.628
380 HD13 ILE 48 HD13 ILE 48 11.577 18.973 12.729
381 H GLY 49 H GLY 49 5.927 18.443 15.091
382 HA2 GLY 49 HA2 GLY 49 5.869 18.380 18.053
383 HA3 GLY 49 HA3 GLY 49 4.584 17.932 16.943
384 H ARG 50 H ARG 50 5.758 16.054 15.308
385 HA ARG 50 HA ARG 50 6.977 13.926 16.981
386 HB2 ARG 50 HB2 ARG 50 4.303 13.518 15.581
387 HB3 ARG 50 HB3 ARG 50 5.259 12.282 16.387
388 HG2 ARG 50 HG2 ARG 50 4.951 13.517 18.562
389 HG3 ARG 50 HG3 ARG 50 3.848 14.621 17.736
390 HD2 ARG 50 HD2 ARG 50 2.370 12.784 17.130
391 HD3 ARG 50 HD3 ARG 50 3.487 11.599 17.838
392 HE ARG 50 HE ARG 50 2.991 13.179 19.987
393 HH11 ARG 50 HH11 ARG 50 0.655 11.845 17.728
394 HH12 ARG 50 HH12 ARG 50 -0.546 11.641 18.965
395 HH21 ARG 50 HH21 ARG 50 1.497 12.660 21.537
396 HH22 ARG 50 HH22 ARG 50 -0.114 12.195 21.042
397 H VAL 51 H VAL 51 7.819 12.164 15.799
398 HA VAL 51 HA VAL 51 7.491 12.190 12.860
399 HB VAL 51 HB VAL 51 10.268 11.771 13.982
400 HG11 VAL 51 HG11 VAL 51 10.909 12.015 11.603
401 HG12 VAL 51 HG12 VAL 51 9.798 10.660 11.858
402 HG13 VAL 51 HG13 VAL 51 9.189 12.172 11.175
403 HG21 VAL 51 HG21 VAL 51 10.935 13.928 13.034
404 HG22 VAL 51 HG22 VAL 51 9.230 14.305 12.674
405 HG23 VAL 51 HG23 VAL 51 9.792 14.142 14.352
406 H ASP 52 H ASP 52 6.930 10.241 12.198
407 HA ASP 52 HA ASP 52 7.531 7.800 13.834
408 HB2 ASP 52 HB2 ASP 52 5.390 8.312 11.743
409 HB3 ASP 52 HB3 ASP 52 5.656 6.781 12.587
410 H LEU 53 H LEU 53 9.607 7.302 13.079
411 HA LEU 53 HA LEU 53 10.333 7.415 10.283
412 HB2 LEU 53 HB2 LEU 53 11.676 5.971 12.610
413 HB3 LEU 53 HB3 LEU 53 12.359 6.171 11.022
414 HG LEU 53 HG LEU 53 13.430 7.696 12.387
415 HD11 LEU 53 HD11 LEU 53 11.407 9.305 10.795
416 HD12 LEU 53 HD12 LEU 53 13.003 9.856 11.348
417 HD13 LEU 53 HD13 LEU 53 12.878 8.551 10.161
418 HD21 LEU 53 HD21 LEU 53 12.493 9.414 13.748
419 HD22 LEU 53 HD22 LEU 53 10.845 9.026 13.272
420 HD23 LEU 53 HD23 LEU 53 11.798 7.877 14.237
421 H ARG 54 H ARG 54 8.694 5.014 12.151
422 HA ARG 54 HA ARG 54 9.043 2.692 10.508
423 HB2 ARG 54 HB2 ARG 54 6.478 3.521 11.920
424 HB3 ARG 54 HB3 ARG 54 6.980 1.890 11.462
425 HG2 ARG 54 HG2 ARG 54 8.897 2.084 13.114
426 HG3 ARG 54 HG3 ARG 54 8.218 3.647 13.623
427 HD2 ARG 54 HD2 ARG 54 5.979 2.308 13.954
428 HD3 ARG 54 HD3 ARG 54 7.018 0.880 13.902
429 HE ARG 54 HE ARG 54 7.858 1.420 16.021
430 HH11 ARG 54 HH11 ARG 54 5.944 4.180 14.908
431 HH12 ARG 54 HH12 ARG 54 6.080 4.934 16.509
432 HH21 ARG 54 HH21 ARG 54 7.892 2.576 17.998
433 HH22 ARG 54 HH22 ARG 54 7.052 4.129 18.042
434 H SER 55 H SER 55 7.190 5.599 9.965
435 HA SER 55 HA SER 55 6.048 4.483 7.423
436 HB2 SER 55 HB2 SER 55 4.751 6.442 9.350
437 HB3 SER 55 HB3 SER 55 4.046 5.809 7.842
438 HG SER 55 HG SER 55 3.285 4.673 9.671
439 H GLY 56 H GLY 56 8.056 6.955 8.678
440 HA2 GLY 56 HA2 GLY 56 9.172 8.647 7.579
441 HA3 GLY 56 HA3 GLY 56 8.308 8.271 6.089
442 H VAL 57 H VAL 57 6.469 8.969 9.030
443 HA VAL 57 HA VAL 57 5.443 11.453 7.714
444 HB VAL 57 HB VAL 57 4.144 9.767 9.872
445 HG11 VAL 57 HG11 VAL 57 2.135 11.172 9.328
446 HG12 VAL 57 HG12 VAL 57 3.428 12.126 10.036
447 HG13 VAL 57 HG13 VAL 57 3.149 12.195 8.284
448 HG21 VAL 57 HG21 VAL 57 2.526 9.197 8.054
449 HG22 VAL 57 HG22 VAL 57 3.565 10.047 6.887
450 HG23 VAL 57 HG23 VAL 57 4.155 8.596 7.718
451 H ILE 58 H ILE 58 6.117 13.304 8.419
452 HA ILE 58 HA ILE 58 6.935 13.786 11.248
453 HB ILE 58 HB ILE 58 7.215 15.440 8.726
454 HG12 ILE 58 HG12 ILE 58 9.623 14.509 10.267
455 HG13 ILE 58 HG13 ILE 58 8.815 13.340 9.234
456 HG21 ILE 58 HG21 ILE 58 8.654 16.953 10.145
457 HG22 ILE 58 HG22 ILE 58 6.948 16.988 10.564
458 HG23 ILE 58 HG23 ILE 58 8.087 16.071 11.580
459 HD11 ILE 58 HD11 ILE 58 9.044 14.774 7.286
460 HD12 ILE 58 HD12 ILE 58 9.834 16.022 8.254
461 HD13 ILE 58 HD13 ILE 58 10.621 14.461 8.038
462 H SER 59 H SER 59 5.613 15.036 12.529
463 HA SER 59 HA SER 59 3.180 16.321 11.306
464 HB2 SER 59 HB2 SER 59 2.571 14.204 12.366
465 HB3 SER 59 HB3 SER 59 3.295 14.752 13.892
466 HG SER 59 HG SER 59 1.030 15.116 13.797
467 H LEU 60 H LEU 60 2.860 18.376 11.851
468 HA LEU 60 HA LEU 60 4.674 19.671 13.819
469 HB2 LEU 60 HB2 LEU 60 2.834 21.022 11.847
470 HB3 LEU 60 HB3 LEU 60 4.156 21.732 12.753
471 HG LEU 60 HG LEU 60 4.351 19.776 10.423
472 HD11 LEU 60 HD11 LEU 60 5.504 21.676 9.334
473 HD12 LEU 60 HD12 LEU 60 3.864 22.119 9.829
474 HD13 LEU 60 HD13 LEU 60 5.243 22.667 10.791
475 HD21 LEU 60 HD21 LEU 60 6.821 20.059 10.573
476 HD22 LEU 60 HD22 LEU 60 6.611 20.943 12.095
477 HD23 LEU 60 HD23 LEU 60 6.174 19.222 11.978
478 H ILE 61 H ILE 61 3.949 21.221 15.299
479 HA ILE 61 HA ILE 61 1.083 21.250 16.066
480 HB ILE 61 HB ILE 61 1.656 21.096 18.445
481 HG12 ILE 61 HG12 ILE 61 3.868 19.742 18.910
482 HG13 ILE 61 HG13 ILE 61 4.479 20.545 17.470
483 HG21 ILE 61 HG21 ILE 61 1.823 18.679 18.525
484 HG22 ILE 61 HG22 ILE 61 0.782 19.175 17.193
485 HG23 ILE 61 HG23 ILE 61 2.433 18.620 16.854
486 HD11 ILE 61 HD11 ILE 61 5.086 21.680 19.588
487 HD12 ILE 61 HD12 ILE 61 4.117 22.750 18.569
488 HD13 ILE 61 HD13 ILE 61 3.361 21.921 19.958
489 H GLU 62 H GLU 62 0.481 23.119 17.364
490 HA GLU 62 HA GLU 62 1.952 25.512 16.545
491 HB2 GLU 62 HB2 GLU 62 0.224 26.767 17.675
492 HB3 GLU 62 HB3 GLU 62 -0.410 25.684 16.455
493 HG2 GLU 62 HG2 GLU 62 -0.442 24.913 19.399
494 HG3 GLU 62 HG3 GLU 62 -1.637 26.000 18.725
495 H GLU 63 H GLU 63 3.279 26.785 17.664
496 HA GLU 63 HA GLU 63 4.468 25.669 20.103
497 HB2 GLU 63 HB2 GLU 63 6.240 27.175 19.761
498 HB3 GLU 63 HB3 GLU 63 5.847 26.430 18.220
499 HG2 GLU 63 HG2 GLU 63 5.567 28.418 17.237
500 HG3 GLU 63 HG3 GLU 63 4.353 28.907 18.416
501 H GLN 64 H GLN 64 2.003 27.882 19.584
502 HA GLN 64 HA GLN 64 2.217 28.952 22.371
503 HB2 GLN 64 HB2 GLN 64 0.837 30.223 19.968
504 HB3 GLN 64 HB3 GLN 64 0.772 30.839 21.614
505 HG2 GLN 64 HG2 GLN 64 3.291 30.597 19.917
506 HG3 GLN 64 HG3 GLN 64 2.386 32.070 20.222
507 HE21 GLN 64 HE21 GLN 64 5.241 31.272 20.894
508 HE22 GLN 64 HE22 GLN 64 5.349 31.739 22.598
509 H ASN 65 H ASN 65 0.541 28.538 23.714
510 HA ASN 65 HA ASN 65 -1.795 26.973 22.684
511 HB2 ASN 65 HB2 ASN 65 -0.137 26.360 25.166
512 HB3 ASN 65 HB3 ASN 65 -1.528 25.450 24.584
513 HD21 ASN 65 HD21 ASN 65 -0.334 25.762 21.664
514 HD22 ASN 65 HD22 ASN 65 0.868 24.483 21.672
515 H ARG 66 H ARG 66 -1.769 29.751 23.234
516 HA ARG 66 HA ARG 66 -2.678 30.421 25.880
517 HB2 ARG 66 HB2 ARG 66 -3.012 32.055 23.318
518 HB3 ARG 66 HB3 ARG 66 -3.000 32.655 24.972
519 HG2 ARG 66 HG2 ARG 66 -0.645 31.487 23.441
520 HG3 ARG 66 HG3 ARG 66 -0.913 33.184 23.833
521 HD2 ARG 66 HD2 ARG 66 -0.604 32.762 26.192
522 HD3 ARG 66 HD3 ARG 66 -0.531 31.004 25.933
523 HE ARG 66 HE ARG 66 1.492 31.953 24.331
524 HH11 ARG 66 HH11 ARG 66 0.895 32.285 27.774
525 HH12 ARG 66 HH12 ARG 66 2.596 32.355 28.125
526 HH21 ARG 66 HH21 ARG 66 3.544 31.985 24.826
527 HH22 ARG 66 HH22 ARG 66 4.094 32.212 26.482
528 H1 GLY -3 H1 GLY -3 16.566 -8.743 4.198
529 H2 GLY -3 H2 GLY -3 17.587 -9.698 5.042
530 H3 GLY -3 H3 GLY -3 17.552 -8.092 5.340
531 HA2 GLY -3 HA2 GLY -3 15.297 -8.200 6.148
532 HA3 GLY -3 HA3 GLY -3 15.344 -9.957 5.877
533 HA PRO -2 HA PRO -2 14.185 -10.788 7.495
534 HB2 PRO -2 HB2 PRO -2 13.007 -10.954 9.938
535 HB3 PRO -2 HB3 PRO -2 14.334 -12.042 9.426
536 HG2 PRO -2 HG2 PRO -2 14.538 -9.516 11.108
537 HG3 PRO -2 HG3 PRO -2 15.228 -11.135 11.460
538 HD2 PRO -2 HD2 PRO -2 16.717 -9.161 10.280
539 HD3 PRO -2 HD3 PRO -2 16.923 -10.875 9.834
540 H GLY -1 H GLY -1 14.632 -7.807 9.357
541 HA2 GLY -1 HA2 GLY -1 11.939 -6.744 8.871
542 HA3 GLY -1 HA3 GLY -1 13.303 -5.899 9.597
543 H SER 0 H SER 0 11.715 -4.565 7.887
544 HA SER 0 HA SER 0 13.446 -4.072 5.508
545 HB2 SER 0 HB2 SER 0 11.467 -3.788 4.105
546 HB3 SER 0 HB3 SER 0 11.520 -5.414 4.798
547 HG SER 0 HG SER 0 9.899 -4.871 6.218
548 H MET 1 H MET 1 12.375 -2.666 8.263
549 HA MET 1 HA MET 1 11.726 0.018 7.284
550 HB2 MET 1 HB2 MET 1 12.469 -0.982 10.072
551 HB3 MET 1 HB3 MET 1 11.932 0.652 9.666
552 HG2 MET 1 HG2 MET 1 9.815 -0.338 8.725
553 HG3 MET 1 HG3 MET 1 10.289 -1.885 9.399
554 HE1 MET 1 HE1 MET 1 11.620 -1.020 12.256
555 HE2 MET 1 HE2 MET 1 10.181 -1.200 13.276
556 HE3 MET 1 HE3 MET 1 10.511 -2.388 11.983
557 H CYS 2 H CYS 2 13.002 1.900 7.842
558 HA CYS 2 HA CYS 2 15.881 1.517 8.373
559 HB2 CYS 2 HB2 CYS 2 15.633 1.693 5.893
560 HB3 CYS 2 HB3 CYS 2 14.831 3.256 6.103
561 HG CYS 2 HG CYS 2 17.928 2.307 6.897
562 H MET 3 H MET 3 16.727 3.096 9.667
563 HA MET 3 HA MET 3 14.683 4.831 10.993
564 HB2 MET 3 HB2 MET 3 16.833 3.018 12.115
565 HB3 MET 3 HB3 MET 3 16.099 4.312 13.053
566 HG2 MET 3 HG2 MET 3 14.846 2.458 13.644
567 HG3 MET 3 HG3 MET 3 13.835 3.356 12.527
568 HE1 MET 3 HE1 MET 3 16.008 0.277 13.201
569 HE2 MET 3 HE2 MET 3 15.863 -0.726 11.746
570 HE3 MET 3 HE3 MET 3 16.833 0.762 11.700
571 H ALA 4 H ALA 4 15.306 6.616 12.153
572 HA ALA 4 HA ALA 4 17.540 8.201 11.057
573 HB1 ALA 4 HB1 ALA 4 15.301 9.190 11.371
574 HB2 ALA 4 HB2 ALA 4 15.373 8.824 13.115
575 HB3 ALA 4 HB3 ALA 4 16.483 10.001 12.403
576 H LYS 5 H LYS 5 18.706 9.544 12.729
577 HA LYS 5 HA LYS 5 19.167 8.233 15.349
578 HB2 LYS 5 HB2 LYS 5 21.497 8.900 15.363
579 HB3 LYS 5 HB3 LYS 5 21.167 7.765 14.068
580 HG2 LYS 5 HG2 LYS 5 21.195 9.549 12.391
581 HG3 LYS 5 HG3 LYS 5 21.379 10.786 13.644
582 HD2 LYS 5 HD2 LYS 5 23.394 8.555 13.178
583 HD3 LYS 5 HD3 LYS 5 23.500 10.154 12.425
584 HE2 LYS 5 HE2 LYS 5 23.583 11.239 14.638
585 HE3 LYS 5 HE3 LYS 5 23.441 9.671 15.429
586 HZ1 LYS 5 HZ1 LYS 5 25.720 10.356 15.346
587 HZ2 LYS 5 HZ2 LYS 5 25.554 9.039 14.399
588 HZ3 LYS 5 HZ3 LYS 5 25.702 10.518 13.712
589 H VAL 6 H VAL 6 19.420 9.598 17.088
590 HA VAL 6 HA VAL 6 18.521 12.439 16.683
591 HB VAL 6 HB VAL 6 18.097 10.544 18.990
592 HG11 VAL 6 HG11 VAL 6 16.858 12.412 20.103
593 HG12 VAL 6 HG12 VAL 6 18.598 12.688 20.038
594 HG13 VAL 6 HG13 VAL 6 17.525 13.532 18.898
595 HG21 VAL 6 HG21 VAL 6 15.781 10.861 18.575
596 HG22 VAL 6 HG22 VAL 6 16.082 12.179 17.418
597 HG23 VAL 6 HG23 VAL 6 16.501 10.513 16.999
598 H VAL 7 H VAL 7 19.673 14.104 17.539
599 HA VAL 7 HA VAL 7 21.914 13.545 19.393
600 HB VAL 7 HB VAL 7 22.948 13.671 17.200
601 HG11 VAL 7 HG11 VAL 7 21.376 15.075 15.959
602 HG12 VAL 7 HG12 VAL 7 21.822 16.487 16.941
603 HG13 VAL 7 HG13 VAL 7 23.012 15.731 15.870
604 HG21 VAL 7 HG21 VAL 7 24.644 15.310 17.654
605 HG22 VAL 7 HG22 VAL 7 23.595 16.240 18.728
606 HG23 VAL 7 HG23 VAL 7 24.143 14.610 19.205
607 H LEU 8 H LEU 8 22.309 15.034 20.926
608 HA LEU 8 HA LEU 8 20.930 17.628 21.000
609 HB2 LEU 8 HB2 LEU 8 19.772 17.157 23.084
610 HB3 LEU 8 HB3 LEU 8 19.167 16.140 21.816
611 HG LEU 8 HG LEU 8 21.340 14.984 23.578
612 HD11 LEU 8 HD11 LEU 8 19.778 14.359 25.300
613 HD12 LEU 8 HD12 LEU 8 19.851 16.115 25.169
614 HD13 LEU 8 HD13 LEU 8 18.462 15.237 24.481
615 HD21 LEU 8 HD21 LEU 8 18.743 13.809 22.469
616 HD22 LEU 8 HD22 LEU 8 20.361 13.567 21.765
617 HD23 LEU 8 HD23 LEU 8 19.987 12.931 23.370
618 H THR 9 H THR 9 21.496 18.928 22.834
619 HA THR 9 HA THR 9 24.050 18.200 24.236
620 HB THR 9 HB THR 9 23.114 21.029 23.673
621 HG1 THR 9 HG1 THR 9 23.628 20.059 21.738
622 HG21 THR 9 HG21 THR 9 25.783 19.853 24.586
623 HG22 THR 9 HG22 THR 9 25.495 21.562 24.192
624 HG23 THR 9 HG23 THR 9 24.670 20.831 25.573
625 H LYS 10 H LYS 10 23.927 18.066 26.362
626 HA LYS 10 HA LYS 10 21.412 18.455 27.814
627 HB2 LYS 10 HB2 LYS 10 24.176 17.572 28.720
628 HB3 LYS 10 HB3 LYS 10 22.709 17.529 29.717
629 HG2 LYS 10 HG2 LYS 10 21.647 16.005 28.013
630 HG3 LYS 10 HG3 LYS 10 23.200 15.912 27.169
631 HD2 LYS 10 HD2 LYS 10 22.728 15.080 30.063
632 HD3 LYS 10 HD3 LYS 10 22.769 13.987 28.676
633 HE2 LYS 10 HE2 LYS 10 25.125 14.682 28.209
634 HE3 LYS 10 HE3 LYS 10 25.071 15.757 29.610
635 HZ1 LYS 10 HZ1 LYS 10 26.090 13.636 30.172
636 HZ2 LYS 10 HZ2 LYS 10 24.709 13.802 31.019
637 HZ3 LYS 10 HZ3 LYS 10 24.754 12.809 29.729
638 H ALA 11 H ALA 11 21.319 19.592 29.891
639 HA ALA 11 HA ALA 11 22.085 22.325 29.776
640 HB1 ALA 11 HB1 ALA 11 20.141 21.449 31.038
641 HB2 ALA 11 HB2 ALA 11 21.234 20.604 32.153
642 HB3 ALA 11 HB3 ALA 11 21.227 22.376 32.091
643 H ASP 12 H ASP 12 23.817 19.551 31.095
644 HA ASP 12 HA ASP 12 25.863 21.111 32.490
645 HB2 ASP 12 HB2 ASP 12 25.770 18.180 31.688
646 HB3 ASP 12 HB3 ASP 12 26.967 18.908 32.746
647 H GLY 13 H GLY 13 25.310 20.815 29.225
648 HA2 GLY 13 HA2 GLY 13 26.573 21.615 27.464
649 HA3 GLY 13 HA3 GLY 13 28.004 21.666 28.489
650 H GLY 14 H GLY 14 26.934 18.576 28.894
651 HA2 GLY 14 HA2 GLY 14 28.775 17.367 26.942
652 HA3 GLY 14 HA3 GLY 14 27.781 16.519 28.131
653 H ARG 15 H ARG 15 28.128 15.801 25.339
654 HA ARG 15 HA ARG 15 25.365 16.228 24.233
655 HB2 ARG 15 HB2 ARG 15 28.035 15.875 22.808
656 HB3 ARG 15 HB3 ARG 15 26.475 15.616 22.007
657 HG2 ARG 15 HG2 ARG 15 25.732 17.868 22.638
658 HG3 ARG 15 HG3 ARG 15 27.289 18.195 23.412
659 HD2 ARG 15 HD2 ARG 15 28.435 18.068 21.293
660 HD3 ARG 15 HD3 ARG 15 26.974 17.465 20.476
661 HE ARG 15 HE ARG 15 26.075 19.796 21.529
662 HH11 ARG 15 HH11 ARG 15 28.833 19.210 19.440
663 HH12 ARG 15 HH12 ARG 15 28.771 20.823 18.769
664 HH21 ARG 15 HH21 ARG 15 26.047 21.791 20.653
665 HH22 ARG 15 HH22 ARG 15 27.206 22.251 19.434
666 H VAL 16 H VAL 16 24.281 14.663 23.228
667 HA VAL 16 HA VAL 16 24.989 11.823 23.836
668 HB VAL 16 HB VAL 16 22.332 13.168 24.447
669 HG11 VAL 16 HG11 VAL 16 21.873 10.922 23.575
670 HG12 VAL 16 HG12 VAL 16 23.102 10.218 24.664
671 HG13 VAL 16 HG13 VAL 16 21.624 10.947 25.315
672 HG21 VAL 16 HG21 VAL 16 22.778 12.385 26.765
673 HG22 VAL 16 HG22 VAL 16 24.379 11.806 26.246
674 HG23 VAL 16 HG23 VAL 16 24.000 13.543 26.214
675 H GLU 17 H GLU 17 24.400 10.376 22.337
676 HA GLU 17 HA GLU 17 22.765 11.209 20.010
677 HB2 GLU 17 HB2 GLU 17 25.428 9.756 19.859
678 HB3 GLU 17 HB3 GLU 17 24.275 9.897 18.524
679 HG2 GLU 17 HG2 GLU 17 24.475 12.362 18.599
680 HG3 GLU 17 HG3 GLU 17 25.627 12.246 19.920
681 H ILE 18 H ILE 18 21.450 9.638 19.151
682 HA ILE 18 HA ILE 18 21.427 6.906 20.422
683 HB ILE 18 HB ILE 18 19.032 8.695 19.941
684 HG12 ILE 18 HG12 ILE 18 19.861 7.626 22.663
685 HG13 ILE 18 HG13 ILE 18 20.500 9.153 22.063
686 HG21 ILE 18 HG21 ILE 18 19.172 5.854 21.084
687 HG22 ILE 18 HG22 ILE 18 17.705 6.843 20.961
688 HG23 ILE 18 HG23 ILE 18 18.515 6.304 19.501
689 HD11 ILE 18 HD11 ILE 18 17.545 8.581 22.420
690 HD12 ILE 18 HD12 ILE 18 18.582 9.544 23.474
691 HD13 ILE 18 HD13 ILE 18 18.277 10.095 21.818
692 H GLY 19 H GLY 19 21.490 5.360 18.908
693 HA2 GLY 19 HA2 GLY 19 20.900 5.994 16.065
694 HA3 GLY 19 HA3 GLY 19 21.785 4.599 16.663
695 H ASP 20 H ASP 20 19.906 4.303 14.768
696 HA ASP 20 HA ASP 20 18.069 3.180 14.095
697 HB2 ASP 20 HB2 ASP 20 18.445 1.432 16.525
698 HB3 ASP 20 HB3 ASP 20 17.787 1.014 14.947
699 H VAL 21 H VAL 21 17.216 5.444 15.155
700 HA VAL 21 HA VAL 21 15.168 5.112 17.197
701 HB VAL 21 HB VAL 21 15.913 7.442 15.391
702 HG11 VAL 21 HG11 VAL 21 13.568 7.754 16.001
703 HG12 VAL 21 HG12 VAL 21 13.919 7.335 17.686
704 HG13 VAL 21 HG13 VAL 21 14.584 8.826 16.965
705 HG21 VAL 21 HG21 VAL 21 16.386 6.852 18.349
706 HG22 VAL 21 HG22 VAL 21 17.616 6.825 17.074
707 HG23 VAL 21 HG23 VAL 21 16.846 8.353 17.521
708 H LEU 22 H LEU 22 13.213 4.359 16.942
709 HA LEU 22 HA LEU 22 11.898 4.058 14.308
710 HB2 LEU 22 HB2 LEU 22 10.976 3.403 17.133
711 HB3 LEU 22 HB3 LEU 22 10.087 3.029 15.664
712 HG LEU 22 HG LEU 22 12.795 1.855 16.397
713 HD11 LEU 22 HD11 LEU 22 10.923 1.095 17.837
714 HD12 LEU 22 HD12 LEU 22 9.991 0.660 16.393
715 HD13 LEU 22 HD13 LEU 22 11.488 -0.210 16.782
716 HD21 LEU 22 HD21 LEU 22 12.442 1.930 13.930
717 HD22 LEU 22 HD22 LEU 22 12.364 0.278 14.546
718 HD23 LEU 22 HD23 LEU 22 10.863 1.139 14.139
719 H GLU 23 H GLU 23 11.682 6.233 17.157
720 HA GLU 23 HA GLU 23 9.689 7.904 15.798
721 HB2 GLU 23 HB2 GLU 23 8.319 6.102 16.654
722 HB3 GLU 23 HB3 GLU 23 9.039 6.227 18.244
723 HG2 GLU 23 HG2 GLU 23 7.996 8.417 18.602
724 HG3 GLU 23 HG3 GLU 23 7.331 8.389 16.959
725 H VAL 24 H VAL 24 9.521 9.942 16.645
726 HA VAL 24 HA VAL 24 10.648 10.514 19.306
727 HB VAL 24 HB VAL 24 11.563 12.707 18.588
728 HG11 VAL 24 HG11 VAL 24 12.960 10.369 17.274
729 HG12 VAL 24 HG12 VAL 24 13.684 11.900 17.801
730 HG13 VAL 24 HG13 VAL 24 13.025 10.773 19.002
731 HG21 VAL 24 HG21 VAL 24 10.417 12.877 16.362
732 HG22 VAL 24 HG22 VAL 24 12.161 13.174 16.318
733 HG23 VAL 24 HG23 VAL 24 11.512 11.607 15.777
734 H ARG 25 H ARG 25 9.756 12.299 20.366
735 HA ARG 25 HA ARG 25 7.522 13.786 19.088
736 HB2 ARG 25 HB2 ARG 25 7.168 12.515 21.823
737 HB3 ARG 25 HB3 ARG 25 5.986 13.399 20.867
738 HG2 ARG 25 HG2 ARG 25 5.966 11.495 19.219
739 HG3 ARG 25 HG3 ARG 25 7.073 10.606 20.300
740 HD2 ARG 25 HD2 ARG 25 5.452 10.856 22.161
741 HD3 ARG 25 HD3 ARG 25 4.358 11.736 21.063
742 HE ARG 25 HE ARG 25 5.067 9.120 20.003
743 HH11 ARG 25 HH11 ARG 25 2.856 10.650 22.291
744 HH12 ARG 25 HH12 ARG 25 1.756 9.284 22.200
745 HH21 ARG 25 HH21 ARG 25 3.755 7.545 19.959
746 HH22 ARG 25 HH22 ARG 25 2.257 7.497 20.886
747 H ALA 26 H ALA 26 7.591 15.871 19.610
748 HA ALA 26 HA ALA 26 8.892 16.842 22.107
749 HB1 ALA 26 HB1 ALA 26 9.292 18.141 20.062
750 HB2 ALA 26 HB2 ALA 26 7.544 18.337 19.812
751 HB3 ALA 26 HB3 ALA 26 8.318 19.071 21.237
752 H GLU 27 H GLU 27 7.616 16.166 23.783
753 HA GLU 27 HA GLU 27 4.708 16.708 23.800
754 HB2 GLU 27 HB2 GLU 27 4.956 14.602 22.572
755 HB3 GLU 27 HB3 GLU 27 5.913 13.917 23.883
756 HG2 GLU 27 HG2 GLU 27 3.909 14.044 25.381
757 HG3 GLU 27 HG3 GLU 27 2.978 14.743 24.044
758 H GLY 28 H GLY 28 3.892 17.020 25.823
759 HA2 GLY 28 HA2 GLY 28 3.763 17.218 28.104
760 HA3 GLY 28 HA3 GLY 28 4.839 15.827 28.219
761 H GLY 29 H GLY 29 5.861 18.856 26.696
762 HA2 GLY 29 HA2 GLY 29 7.404 20.462 27.331
763 HA3 GLY 29 HA3 GLY 29 7.286 19.935 29.000
764 H ALA 30 H ALA 30 8.106 17.571 26.554
765 HA ALA 30 HA ALA 30 11.020 17.691 27.050
766 HB1 ALA 30 HB1 ALA 30 9.243 15.246 27.547
767 HB2 ALA 30 HB2 ALA 30 11.006 15.312 27.744
768 HB3 ALA 30 HB3 ALA 30 9.957 16.227 28.836
769 H VAL 31 H VAL 31 12.205 16.130 25.626
770 HA VAL 31 HA VAL 31 10.595 15.270 23.266
771 HB VAL 31 HB VAL 31 13.574 15.600 23.398
772 HG11 VAL 31 HG11 VAL 31 13.459 14.805 20.980
773 HG12 VAL 31 HG12 VAL 31 13.204 13.531 22.162
774 HG13 VAL 31 HG13 VAL 31 11.821 14.239 21.294
775 HG21 VAL 31 HG21 VAL 31 13.138 17.156 21.561
776 HG22 VAL 31 HG22 VAL 31 11.407 16.717 21.546
777 HG23 VAL 31 HG23 VAL 31 12.105 17.583 22.926
778 H ARG 32 H ARG 32 9.945 13.310 23.168
779 HA ARG 32 HA ARG 32 11.242 11.097 24.686
780 HB2 ARG 32 HB2 ARG 32 8.630 11.237 23.126
781 HB3 ARG 32 HB3 ARG 32 9.315 9.748 23.793
782 HG2 ARG 32 HG2 ARG 32 9.195 10.644 26.069
783 HG3 ARG 32 HG3 ARG 32 8.617 12.201 25.470
784 HD2 ARG 32 HD2 ARG 32 6.759 10.920 26.341
785 HD3 ARG 32 HD3 ARG 32 6.588 11.131 24.594
786 HE ARG 32 HE ARG 32 7.885 8.618 25.384
787 HH11 ARG 32 HH11 ARG 32 4.700 10.041 24.687
788 HH12 ARG 32 HH12 ARG 32 4.006 8.457 24.493
789 HH21 ARG 32 HH21 ARG 32 6.926 6.722 25.032
790 HH22 ARG 32 HH22 ARG 32 5.211 6.635 24.677
791 H VAL 33 H VAL 33 12.115 9.347 23.684
792 HA VAL 33 HA VAL 33 12.237 9.204 20.706
793 HB VAL 33 HB VAL 33 14.640 8.523 22.409
794 HG11 VAL 33 HG11 VAL 33 14.319 8.948 19.434
795 HG12 VAL 33 HG12 VAL 33 15.865 8.706 20.260
796 HG13 VAL 33 HG13 VAL 33 14.660 7.427 20.278
797 HG21 VAL 33 HG21 VAL 33 14.200 11.152 20.938
798 HG22 VAL 33 HG22 VAL 33 14.395 10.946 22.694
799 HG23 VAL 33 HG23 VAL 33 15.752 10.612 21.620
800 H THR 34 H THR 34 12.084 7.099 19.930
801 HA THR 34 HA THR 34 12.152 4.819 21.880
802 HB THR 34 HB THR 34 10.348 5.009 19.455
803 HG1 THR 34 HG1 THR 34 9.729 5.356 22.193
804 HG21 THR 34 HG21 THR 34 9.163 3.099 20.533
805 HG22 THR 34 HG22 THR 34 10.807 2.693 20.033
806 HG23 THR 34 HG23 THR 34 10.469 3.014 21.742
807 H THR 35 H THR 35 13.462 3.139 21.316
808 HA THR 35 HA THR 35 14.909 3.328 18.708
809 HB THR 35 HB THR 35 16.656 2.055 19.680
810 HG1 THR 35 HG1 THR 35 16.509 1.438 21.910
811 HG21 THR 35 HG21 THR 35 17.481 3.512 21.420
812 HG22 THR 35 HG22 THR 35 16.605 4.497 20.240
813 HG23 THR 35 HG23 THR 35 15.846 4.105 21.797
814 H LEU 36 H LEU 36 15.601 1.381 17.669
815 HA LEU 36 HA LEU 36 13.762 -0.460 16.799
816 HB2 LEU 36 HB2 LEU 36 15.942 0.040 15.826
817 HB3 LEU 36 HB3 LEU 36 16.777 -0.672 17.206
818 HG LEU 36 HG LEU 36 15.918 -2.914 16.562
819 HD11 LEU 36 HD11 LEU 36 14.801 -1.403 14.169
820 HD12 LEU 36 HD12 LEU 36 14.963 -3.169 14.265
821 HD13 LEU 36 HD13 LEU 36 13.869 -2.313 15.365
822 HD21 LEU 36 HD21 LEU 36 17.349 -1.432 14.327
823 HD22 LEU 36 HD22 LEU 36 18.121 -2.104 15.777
824 HD23 LEU 36 HD23 LEU 36 17.356 -3.194 14.607
825 H PHE 37 H PHE 37 15.573 -0.660 19.799
826 HA PHE 37 HA PHE 37 14.978 -3.481 20.310
827 HB2 PHE 37 HB2 PHE 37 16.340 -1.453 22.100
828 HB3 PHE 37 HB3 PHE 37 16.435 -3.213 22.196
829 HD1 PHE 37 HD1 PHE 37 17.962 -0.251 20.813
830 HD2 PHE 37 HD2 PHE 37 17.389 -4.465 20.106
831 HE1 PHE 37 HE1 PHE 37 19.801 -0.221 19.145
832 HE2 PHE 37 HE2 PHE 37 19.239 -4.429 18.433
833 HZ PHE 37 HZ PHE 37 20.442 -2.307 17.950
834 H ASP 38 H ASP 38 12.926 -1.023 20.423
835 HA ASP 38 HA ASP 38 11.075 -0.410 21.477
836 HB2 ASP 38 HB2 ASP 38 11.110 -3.057 22.952
837 HB3 ASP 38 HB3 ASP 38 9.731 -1.981 22.752
838 H GLU 39 H GLU 39 13.823 -0.072 22.847
839 HA GLU 39 HA GLU 39 12.991 0.722 25.578
840 HB2 GLU 39 HB2 GLU 39 15.602 1.051 24.040
841 HB3 GLU 39 HB3 GLU 39 15.321 1.703 25.646
842 HG2 GLU 39 HG2 GLU 39 15.278 -1.229 24.885
843 HG3 GLU 39 HG3 GLU 39 16.544 -0.374 25.775
844 H GLU 40 H GLU 40 13.369 2.895 26.289
845 HA GLU 40 HA GLU 40 12.787 4.998 24.286
846 HB2 GLU 40 HB2 GLU 40 11.129 4.543 26.793
847 HB3 GLU 40 HB3 GLU 40 11.106 6.018 25.813
848 HG2 GLU 40 HG2 GLU 40 10.436 4.633 23.827
849 HG3 GLU 40 HG3 GLU 40 10.288 3.235 24.898
850 H HIS 41 H HIS 41 13.202 7.094 24.861
851 HA HIS 41 HA HIS 41 14.751 7.639 27.356
852 HB2 HIS 41 HB2 HIS 41 15.464 8.732 24.603
853 HB3 HIS 41 HB3 HIS 41 16.281 9.065 26.131
854 HD2 HIS 41 HD2 HIS 41 16.128 6.526 23.299
855 HE1 HIS 41 HE1 HIS 41 18.950 4.961 26.078
856 HE2 HIS 41 HE2 HIS 41 17.969 4.688 23.753
857 H ALA 42 H ALA 42 14.554 9.847 28.088
858 HA ALA 42 HA ALA 42 12.633 11.595 26.700
859 HB1 ALA 42 HB1 ALA 42 12.297 10.785 29.609
860 HB2 ALA 42 HB2 ALA 42 11.382 12.052 28.769
861 HB3 ALA 42 HB3 ALA 42 11.208 10.357 28.257
862 H PHE 43 H PHE 43 13.179 13.657 26.755
863 HA PHE 43 HA PHE 43 15.390 14.600 28.532
864 HB2 PHE 43 HB2 PHE 43 15.001 15.094 25.578
865 HB3 PHE 43 HB3 PHE 43 16.274 15.779 26.594
866 HD1 PHE 43 HD1 PHE 43 17.831 14.064 27.859
867 HD2 PHE 43 HD2 PHE 43 15.341 13.031 24.477
868 HE1 PHE 43 HE1 PHE 43 19.216 12.040 27.439
869 HE2 PHE 43 HE2 PHE 43 16.734 11.025 24.063
870 HZ PHE 43 HZ PHE 43 18.685 10.528 25.548
871 HA PRO 44 HA PRO 44 11.829 17.462 29.090
872 HB2 PRO 44 HB2 PRO 44 12.534 18.398 31.585
873 HB3 PRO 44 HB3 PRO 44 11.569 16.934 31.264
874 HG2 PRO 44 HG2 PRO 44 14.527 17.123 31.850
875 HG3 PRO 44 HG3 PRO 44 13.328 15.942 32.481
876 HD2 PRO 44 HD2 PRO 44 15.011 15.359 30.447
877 HD3 PRO 44 HD3 PRO 44 13.338 14.716 30.487
878 H GLY 45 H GLY 45 11.595 19.592 28.749
879 HA2 GLY 45 HA2 GLY 45 12.109 21.819 28.478
880 HA3 GLY 45 HA3 GLY 45 13.794 21.527 28.914
881 H LEU 46 H LEU 46 13.108 19.278 26.513
882 HA LEU 46 HA LEU 46 14.199 21.034 24.379
883 HB2 LEU 46 HB2 LEU 46 13.996 18.007 24.498
884 HB3 LEU 46 HB3 LEU 46 14.738 18.947 23.205
885 HG LEU 46 HG LEU 46 15.754 18.654 26.051
886 HD11 LEU 46 HD11 LEU 46 17.618 17.526 24.987
887 HD12 LEU 46 HD12 LEU 46 16.119 16.783 24.392
888 HD13 LEU 46 HD13 LEU 46 16.997 17.922 23.371
889 HD21 LEU 46 HD21 LEU 46 16.912 20.311 23.759
890 HD22 LEU 46 HD22 LEU 46 16.292 20.948 25.311
891 HD23 LEU 46 HD23 LEU 46 17.753 19.943 25.280
892 H ALA 47 H ALA 47 13.524 20.778 22.211
893 HA ALA 47 HA ALA 47 11.082 19.304 21.564
894 HB1 ALA 47 HB1 ALA 47 10.176 21.541 21.895
895 HB2 ALA 47 HB2 ALA 47 11.441 22.254 20.866
896 HB3 ALA 47 HB3 ALA 47 10.211 21.181 20.158
897 H ILE 48 H ILE 48 10.937 19.043 19.118
898 HA ILE 48 HA ILE 48 13.554 18.301 18.039
899 HB ILE 48 HB ILE 48 10.778 18.216 16.835
900 HG12 ILE 48 HG12 ILE 48 12.351 15.750 17.631
901 HG13 ILE 48 HG13 ILE 48 11.484 16.639 18.885
902 HG21 ILE 48 HG21 ILE 48 12.401 18.294 15.022
903 HG22 ILE 48 HG22 ILE 48 13.409 17.058 15.815
904 HG23 ILE 48 HG23 ILE 48 11.813 16.642 15.163
905 HD11 ILE 48 HD11 ILE 48 10.201 15.473 16.384
906 HD12 ILE 48 HD12 ILE 48 10.082 14.856 18.043
907 HD13 ILE 48 HD13 ILE 48 9.358 16.422 17.640
908 H GLY 49 H GLY 49 14.892 19.614 16.953
909 HA2 GLY 49 HA2 GLY 49 13.984 22.330 16.182
910 HA3 GLY 49 HA3 GLY 49 15.645 21.756 16.388
911 H ARG 50 H ARG 50 15.529 19.473 14.705
912 HA ARG 50 HA ARG 50 14.883 20.397 11.954
913 HB2 ARG 50 HB2 ARG 50 17.032 21.458 12.471
914 HB3 ARG 50 HB3 ARG 50 17.709 19.923 12.992
915 HG2 ARG 50 HG2 ARG 50 17.507 19.047 10.662
916 HG3 ARG 50 HG3 ARG 50 16.850 20.608 10.144
917 HD2 ARG 50 HD2 ARG 50 18.975 21.705 10.925
918 HD3 ARG 50 HD3 ARG 50 19.588 20.128 11.436
919 HE ARG 50 HE ARG 50 20.036 19.539 9.235
920 HH11 ARG 50 HH11 ARG 50 18.255 22.562 9.159
921 HH12 ARG 50 HH12 ARG 50 18.379 22.685 7.409
922 HH21 ARG 50 HH21 ARG 50 20.226 19.810 7.039
923 HH22 ARG 50 HH22 ARG 50 19.471 21.204 6.270
924 H VAL 51 H VAL 51 14.632 18.741 10.506
925 HA VAL 51 HA VAL 51 15.913 16.141 11.155
926 HB VAL 51 HB VAL 51 13.289 16.161 9.670
927 HG11 VAL 51 HG11 VAL 51 14.797 14.235 9.332
928 HG12 VAL 51 HG12 VAL 51 14.851 13.978 11.082
929 HG13 VAL 51 HG13 VAL 51 13.324 13.769 10.200
930 HG21 VAL 51 HG21 VAL 51 12.674 16.957 11.890
931 HG22 VAL 51 HG22 VAL 51 12.205 15.266 11.705
932 HG23 VAL 51 HG23 VAL 51 13.655 15.679 12.650
933 H ASP 52 H ASP 52 17.309 15.591 9.629
934 HA ASP 52 HA ASP 52 17.177 16.919 6.941
935 HB2 ASP 52 HB2 ASP 52 18.922 17.681 8.578
936 HB3 ASP 52 HB3 ASP 52 19.658 16.083 8.480
937 H LEU 53 H LEU 53 16.075 15.334 5.876
938 HA LEU 53 HA LEU 53 16.457 12.511 6.269
939 HB2 LEU 53 HB2 LEU 53 14.988 14.036 4.075
940 HB3 LEU 53 HB3 LEU 53 14.893 12.317 4.355
941 HG LEU 53 HG LEU 53 12.928 13.290 5.138
942 HD11 LEU 53 HD11 LEU 53 12.840 12.543 7.458
943 HD12 LEU 53 HD12 LEU 53 13.810 11.444 6.466
944 HD13 LEU 53 HD13 LEU 53 14.606 12.587 7.573
945 HD21 LEU 53 HD21 LEU 53 12.631 14.952 6.784
946 HD22 LEU 53 HD22 LEU 53 14.357 15.046 7.153
947 HD23 LEU 53 HD23 LEU 53 13.752 15.621 5.582
948 H ARG 54 H ARG 54 18.271 14.710 4.420
949 HA ARG 54 HA ARG 54 19.294 12.969 2.331
950 HB2 ARG 54 HB2 ARG 54 20.773 15.180 3.810
951 HB3 ARG 54 HB3 ARG 54 21.128 14.541 2.204
952 HG2 ARG 54 HG2 ARG 54 18.969 15.488 1.365
953 HG3 ARG 54 HG3 ARG 54 18.669 16.184 2.977
954 HD2 ARG 54 HD2 ARG 54 20.998 17.275 2.766
955 HD3 ARG 54 HD3 ARG 54 20.939 16.824 1.060
956 HE ARG 54 HE ARG 54 19.370 18.509 0.669
957 HH11 ARG 54 HH11 ARG 54 19.539 18.135 4.221
958 HH12 ARG 54 HH12 ARG 54 18.945 19.785 4.403
959 HH21 ARG 54 HH21 ARG 54 18.524 20.568 1.196
960 HH22 ARG 54 HH22 ARG 54 18.409 20.994 2.903
961 H SER 55 H SER 55 19.901 13.177 5.749
962 HA SER 55 HA SER 55 22.000 11.048 5.590
963 HB2 SER 55 HB2 SER 55 22.951 13.307 6.027
964 HB3 SER 55 HB3 SER 55 21.912 13.449 7.449
965 HG SER 55 HG SER 55 24.040 11.611 6.987
966 H GLY 56 H GLY 56 19.076 12.165 7.165
967 HA2 GLY 56 HA2 GLY 56 17.571 10.899 8.430
968 HA3 GLY 56 HA3 GLY 56 18.777 9.628 8.652
969 H VAL 57 H VAL 57 19.573 12.999 9.340
970 HA VAL 57 HA VAL 57 19.905 12.316 12.221
971 HB VAL 57 HB VAL 57 20.892 14.725 10.654
972 HG11 VAL 57 HG11 VAL 57 22.288 15.139 12.673
973 HG12 VAL 57 HG12 VAL 57 20.573 15.298 13.046
974 HG13 VAL 57 HG13 VAL 57 21.441 13.834 13.533
975 HG21 VAL 57 HG21 VAL 57 22.359 12.277 11.755
976 HG22 VAL 57 HG22 VAL 57 22.068 12.629 10.043
977 HG23 VAL 57 HG23 VAL 57 23.121 13.692 10.990
978 H ILE 58 H ILE 58 18.572 12.905 13.695
979 HA ILE 58 HA ILE 58 16.664 15.191 13.376
980 HB ILE 58 HB ILE 58 16.758 12.825 15.265
981 HG12 ILE 58 HG12 ILE 58 14.461 13.560 13.425
982 HG13 ILE 58 HG13 ILE 58 15.808 12.572 12.863
983 HG21 ILE 58 HG21 ILE 58 16.019 14.706 16.592
984 HG22 ILE 58 HG22 ILE 58 14.884 15.219 15.312
985 HG23 ILE 58 HG23 ILE 58 14.618 13.718 16.226
986 HD11 ILE 58 HD11 ILE 58 13.941 11.875 15.158
987 HD12 ILE 58 HD12 ILE 58 14.017 11.128 13.554
988 HD13 ILE 58 HD13 ILE 58 15.371 10.938 14.687
989 H SER 59 H SER 59 17.299 17.056 14.343
990 HA SER 59 HA SER 59 19.297 16.943 16.581
991 HB2 SER 59 HB2 SER 59 18.823 19.246 14.686
992 HB3 SER 59 HB3 SER 59 20.019 19.163 15.987
993 HG SER 59 HG SER 59 20.975 18.659 13.982
994 H LEU 60 H LEU 60 18.670 17.631 18.525
995 HA LEU 60 HA LEU 60 16.000 18.925 18.795
996 HB2 LEU 60 HB2 LEU 60 17.733 17.775 20.986
997 HB3 LEU 60 HB3 LEU 60 16.027 18.198 21.048
998 HG LEU 60 HG LEU 60 17.282 15.854 19.551
999 HD11 LEU 60 HD11 LEU 60 15.342 16.019 21.892
1000 HD12 LEU 60 HD12 LEU 60 15.911 14.527 21.119
1001 HD13 LEU 60 HD13 LEU 60 17.043 15.569 21.991
1002 HD21 LEU 60 HD21 LEU 60 14.942 15.187 19.000
1003 HD22 LEU 60 HD22 LEU 60 14.370 16.745 19.634
1004 HD23 LEU 60 HD23 LEU 60 15.409 16.684 18.195
1005 H ILE 61 H ILE 61 15.621 20.636 20.179
1006 HA ILE 61 HA ILE 61 17.862 22.424 20.958
1007 HB ILE 61 HB ILE 61 16.632 24.390 20.086
1008 HG12 ILE 61 HG12 ILE 61 15.122 23.888 18.029
1009 HG13 ILE 61 HG13 ILE 61 14.814 22.322 18.767
1010 HG21 ILE 61 HG21 ILE 61 18.556 23.354 18.923
1011 HG22 ILE 61 HG22 ILE 61 17.431 22.422 17.912
1012 HG23 ILE 61 HG23 ILE 61 17.445 24.194 17.824
1013 HD11 ILE 61 HD11 ILE 61 13.784 23.457 20.713
1014 HD12 ILE 61 HD12 ILE 61 14.235 25.038 20.048
1015 HD13 ILE 61 HD13 ILE 61 13.055 24.027 19.211
1016 H GLU 62 H GLU 62 17.174 24.096 22.579
1017 HA GLU 62 HA GLU 62 15.280 22.923 24.486
1018 HB2 GLU 62 HB2 GLU 62 15.808 24.719 25.954
1019 HB3 GLU 62 HB3 GLU 62 17.281 23.975 25.324
1020 HG2 GLU 62 HG2 GLU 62 17.498 25.881 23.697
1021 HG3 GLU 62 HG3 GLU 62 16.104 26.651 24.474
1022 H GLU 63 H GLU 63 13.226 23.394 24.816
1023 HA GLU 63 HA GLU 63 11.919 25.559 23.223
1024 HB2 GLU 63 HB2 GLU 63 9.895 24.448 23.447
1025 HB3 GLU 63 HB3 GLU 63 11.082 23.205 23.127
1026 HG2 GLU 63 HG2 GLU 63 9.760 22.222 24.739
1027 HG3 GLU 63 HG3 GLU 63 11.160 22.761 25.651
1028 H GLN 64 H GLN 64 13.089 24.873 26.352
1029 HA GLN 64 HA GLN 64 11.600 26.918 27.820
1030 HB2 GLN 64 HB2 GLN 64 14.127 25.305 28.361
1031 HB3 GLN 64 HB3 GLN 64 13.492 26.497 29.493
1032 HG2 GLN 64 HG2 GLN 64 11.905 24.089 28.485
1033 HG3 GLN 64 HG3 GLN 64 12.842 24.096 29.964
1034 HE21 GLN 64 HE21 GLN 64 9.714 24.524 28.812
1035 HE22 GLN 64 HE22 GLN 64 9.095 25.479 30.169
1036 H ASN 65 H ASN 65 13.091 28.574 28.985
1037 HA ASN 65 HA ASN 65 14.043 30.614 28.849
1038 HB2 ASN 65 HB2 ASN 65 16.108 29.009 27.339
1039 HB3 ASN 65 HB3 ASN 65 16.400 30.529 28.179
1040 HD21 ASN 65 HD21 ASN 65 16.949 27.319 28.461
1041 HD22 ASN 65 HD22 ASN 65 16.882 27.178 30.228
1042 H ARG 66 H ARG 66 12.061 30.408 26.939
1043 HA ARG 66 HA ARG 66 12.763 31.379 24.332
1044 HB2 ARG 66 HB2 ARG 66 10.127 31.737 25.847
1045 HB3 ARG 66 HB3 ARG 66 10.387 31.931 24.107
1046 HG2 ARG 66 HG2 ARG 66 11.077 29.487 24.010
1047 HG3 ARG 66 HG3 ARG 66 10.579 29.352 25.717
1048 HD2 ARG 66 HD2 ARG 66 8.298 30.188 25.055
1049 HD3 ARG 66 HD3 ARG 66 8.824 30.124 23.362
1050 HE ARG 66 HE ARG 66 9.203 27.596 24.766
1051 HH11 ARG 66 HH11 ARG 66 7.765 25.879 24.484
1052 HH12 ARG 66 HH12 ARG 66 6.336 26.134 23.506
1053 HH21 ARG 66 HH21 ARG 66 6.843 29.463 23.002
1054 HH22 ARG 66 HH22 ARG 66 5.795 28.106 22.707
Start of MODEL 5
1 H1 GLY -3 H1 GLY -3 24.050 13.392 -3.327
2 H2 GLY -3 H2 GLY -3 25.156 14.364 -2.599
3 H3 GLY -3 H3 GLY -3 24.265 13.319 -1.709
4 HA2 GLY -3 HA2 GLY -3 26.245 12.539 -3.733
5 HA3 GLY -3 HA3 GLY -3 26.502 12.480 -1.974
6 HA PRO -2 HA PRO -2 24.622 8.406 -3.553
7 HB2 PRO -2 HB2 PRO -2 26.774 6.749 -3.232
8 HB3 PRO -2 HB3 PRO -2 26.492 7.714 -4.717
9 HG2 PRO -2 HG2 PRO -2 28.281 8.415 -2.370
10 HG3 PRO -2 HG3 PRO -2 28.688 8.449 -4.110
11 HD2 PRO -2 HD2 PRO -2 27.930 10.693 -2.780
12 HD3 PRO -2 HD3 PRO -2 27.414 10.403 -4.470
13 H GLY -1 H GLY -1 24.175 6.544 -2.231
14 HA2 GLY -1 HA2 GLY -1 23.836 5.369 -0.272
15 HA3 GLY -1 HA3 GLY -1 25.051 6.355 0.543
16 H SER 0 H SER 0 22.517 8.186 -0.963
17 HA SER 0 HA SER 0 21.429 9.155 1.539
18 HB2 SER 0 HB2 SER 0 20.408 9.428 -1.314
19 HB3 SER 0 HB3 SER 0 19.767 10.296 0.091
20 HG SER 0 HG SER 0 22.341 10.540 -1.104
21 H MET 1 H MET 1 19.106 9.143 2.069
22 HA MET 1 HA MET 1 17.712 6.588 1.498
23 HB2 MET 1 HB2 MET 1 17.006 6.384 3.781
24 HB3 MET 1 HB3 MET 1 18.755 6.437 3.689
25 HG2 MET 1 HG2 MET 1 18.537 7.846 5.431
26 HG3 MET 1 HG3 MET 1 18.359 9.053 4.170
27 HE1 MET 1 HE1 MET 1 15.047 7.385 6.969
28 HE2 MET 1 HE2 MET 1 15.961 6.321 5.873
29 HE3 MET 1 HE3 MET 1 16.803 7.171 7.182
30 H CYS 2 H CYS 2 15.368 6.748 1.828
31 HA CYS 2 HA CYS 2 14.574 8.955 0.159
32 HB2 CYS 2 HB2 CYS 2 14.030 6.609 -0.180
33 HB3 CYS 2 HB3 CYS 2 13.006 6.626 1.266
34 HG CYS 2 HG CYS 2 11.532 6.642 -0.931
35 H MET 3 H MET 3 12.971 10.402 0.329
36 HA MET 3 HA MET 3 12.919 11.942 2.678
37 HB2 MET 3 HB2 MET 3 11.241 12.088 0.148
38 HB3 MET 3 HB3 MET 3 11.240 13.296 1.405
39 HG2 MET 3 HG2 MET 3 12.719 14.119 -0.232
40 HG3 MET 3 HG3 MET 3 13.712 13.597 1.111
41 HE1 MET 3 HE1 MET 3 12.165 11.110 -1.702
42 HE2 MET 3 HE2 MET 3 12.293 12.762 -2.343
43 HE3 MET 3 HE3 MET 3 13.343 11.465 -2.983
44 H ALA 4 H ALA 4 11.309 12.658 4.008
45 HA ALA 4 HA ALA 4 9.036 10.859 4.603
46 HB1 ALA 4 HB1 ALA 4 10.030 13.381 6.000
47 HB2 ALA 4 HB2 ALA 4 8.823 12.246 6.620
48 HB3 ALA 4 HB3 ALA 4 10.489 11.711 6.430
49 H LYS 5 H LYS 5 7.025 12.154 5.294
50 HA LYS 5 HA LYS 5 6.392 14.485 3.527
51 HB2 LYS 5 HB2 LYS 5 4.163 13.723 3.176
52 HB3 LYS 5 HB3 LYS 5 5.256 12.406 2.745
53 HG2 LYS 5 HG2 LYS 5 4.802 11.533 5.197
54 HG3 LYS 5 HG3 LYS 5 3.469 12.682 5.193
55 HD2 LYS 5 HD2 LYS 5 2.513 10.620 4.570
56 HD3 LYS 5 HD3 LYS 5 2.662 11.505 3.042
57 HE2 LYS 5 HE2 LYS 5 4.805 10.277 2.594
58 HE3 LYS 5 HE3 LYS 5 4.625 9.418 4.132
59 HZ1 LYS 5 HZ1 LYS 5 2.731 9.230 1.854
60 HZ2 LYS 5 HZ2 LYS 5 3.805 8.083 2.282
61 HZ3 LYS 5 HZ3 LYS 5 2.565 8.445 3.272
62 H VAL 6 H VAL 6 5.218 16.135 4.458
63 HA VAL 6 HA VAL 6 5.121 16.190 7.449
64 HB VAL 6 HB VAL 6 5.127 18.467 5.455
65 HG11 VAL 6 HG11 VAL 6 5.196 18.521 8.490
66 HG12 VAL 6 HG12 VAL 6 5.518 19.917 7.432
67 HG13 VAL 6 HG13 VAL 6 3.918 19.188 7.450
68 HG21 VAL 6 HG21 VAL 6 7.265 17.576 7.415
69 HG22 VAL 6 HG22 VAL 6 7.317 17.311 5.658
70 HG23 VAL 6 HG23 VAL 6 7.370 18.952 6.300
71 H VAL 7 H VAL 7 3.246 16.605 8.533
72 HA VAL 7 HA VAL 7 0.893 17.627 7.036
73 HB VAL 7 HB VAL 7 0.480 15.268 7.405
74 HG11 VAL 7 HG11 VAL 7 1.785 14.855 9.463
75 HG12 VAL 7 HG12 VAL 7 0.639 15.847 10.397
76 HG13 VAL 7 HG13 VAL 7 0.112 14.328 9.636
77 HG21 VAL 7 HG21 VAL 7 -1.709 15.432 8.379
78 HG22 VAL 7 HG22 VAL 7 -1.295 16.938 9.221
79 HG23 VAL 7 HG23 VAL 7 -1.407 16.903 7.449
80 H LEU 8 H LEU 8 -0.305 19.176 8.019
81 HA LEU 8 HA LEU 8 0.205 19.957 10.809
82 HB2 LEU 8 HB2 LEU 8 0.788 22.230 10.298
83 HB3 LEU 8 HB3 LEU 8 1.887 21.158 9.475
84 HG LEU 8 HG LEU 8 0.176 21.531 7.418
85 HD11 LEU 8 HD11 LEU 8 -1.393 23.029 8.585
86 HD12 LEU 8 HD12 LEU 8 -0.055 24.092 9.076
87 HD13 LEU 8 HD13 LEU 8 -0.508 23.948 7.371
88 HD21 LEU 8 HD21 LEU 8 2.579 21.998 7.376
89 HD22 LEU 8 HD22 LEU 8 1.655 23.296 6.613
90 HD23 LEU 8 HD23 LEU 8 2.319 23.523 8.242
91 H THR 9 H THR 9 -1.332 21.560 11.601
92 HA THR 9 HA THR 9 -3.969 21.470 10.167
93 HB THR 9 HB THR 9 -3.612 21.372 13.183
94 HG1 THR 9 HG1 THR 9 -2.894 19.442 12.273
95 HG21 THR 9 HG21 THR 9 -5.998 20.634 13.079
96 HG22 THR 9 HG22 THR 9 -5.780 22.289 12.492
97 HG23 THR 9 HG23 THR 9 -6.007 20.963 11.331
98 H LYS 10 H LYS 10 -4.888 23.345 9.779
99 HA LYS 10 HA LYS 10 -3.694 25.903 10.600
100 HB2 LYS 10 HB2 LYS 10 -6.151 25.212 8.943
101 HB3 LYS 10 HB3 LYS 10 -5.470 26.831 9.121
102 HG2 LYS 10 HG2 LYS 10 -3.323 26.015 8.136
103 HG3 LYS 10 HG3 LYS 10 -4.062 24.431 7.865
104 HD2 LYS 10 HD2 LYS 10 -5.040 27.050 6.617
105 HD3 LYS 10 HD3 LYS 10 -3.966 25.886 5.866
106 HE2 LYS 10 HE2 LYS 10 -5.902 25.179 4.934
107 HE3 LYS 10 HE3 LYS 10 -5.894 24.142 6.362
108 HZ1 LYS 10 HZ1 LYS 10 -7.368 26.722 6.134
109 HZ2 LYS 10 HZ2 LYS 10 -8.053 25.268 5.957
110 HZ3 LYS 10 HZ3 LYS 10 -7.480 25.704 7.412
111 H ALA 11 H ALA 11 -5.124 27.699 11.323
112 HA ALA 11 HA ALA 11 -6.187 27.170 13.901
113 HB1 ALA 11 HB1 ALA 11 -6.787 29.563 13.850
114 HB2 ALA 11 HB2 ALA 11 -5.157 29.296 13.195
115 HB3 ALA 11 HB3 ALA 11 -6.525 29.618 12.103
116 H ASP 12 H ASP 12 -7.860 27.137 10.793
117 HA ASP 12 HA ASP 12 -10.544 27.172 12.002
118 HB2 ASP 12 HB2 ASP 12 -11.360 27.056 9.766
119 HB3 ASP 12 HB3 ASP 12 -10.157 28.317 9.890
120 H GLY 13 H GLY 13 -8.220 24.842 11.931
121 HA2 GLY 13 HA2 GLY 13 -8.385 22.618 12.563
122 HA3 GLY 13 HA3 GLY 13 -10.125 22.634 12.256
123 H GLY 14 H GLY 14 -8.686 23.859 9.448
124 HA2 GLY 14 HA2 GLY 14 -8.985 21.326 7.974
125 HA3 GLY 14 HA3 GLY 14 -8.560 22.899 7.307
126 H ARG 15 H ARG 15 -7.328 20.076 7.120
127 HA ARG 15 HA ARG 15 -4.582 20.653 8.141
128 HB2 ARG 15 HB2 ARG 15 -5.755 18.024 7.176
129 HB3 ARG 15 HB3 ARG 15 -4.100 18.284 7.761
130 HG2 ARG 15 HG2 ARG 15 -5.185 19.231 9.907
131 HG3 ARG 15 HG3 ARG 15 -6.685 18.494 9.355
132 HD2 ARG 15 HD2 ARG 15 -4.038 17.066 9.852
133 HD3 ARG 15 HD3 ARG 15 -5.427 17.080 10.949
134 HE ARG 15 HE ARG 15 -6.385 16.105 8.494
135 HH11 ARG 15 HH11 ARG 15 -4.087 15.030 10.902
136 HH12 ARG 15 HH12 ARG 15 -4.325 13.342 10.520
137 HH21 ARG 15 HH21 ARG 15 -6.635 13.941 8.036
138 HH22 ARG 15 HH22 ARG 15 -5.749 12.749 8.944
139 H VAL 16 H VAL 16 -2.762 20.327 6.976
140 HA VAL 16 HA VAL 16 -2.901 20.451 3.992
141 HB VAL 16 HB VAL 16 -1.333 22.333 5.793
142 HG11 VAL 16 HG11 VAL 16 0.042 21.855 3.836
143 HG12 VAL 16 HG12 VAL 16 -1.336 22.148 2.757
144 HG13 VAL 16 HG13 VAL 16 -0.633 23.479 3.708
145 HG21 VAL 16 HG21 VAL 16 -3.612 22.889 3.853
146 HG22 VAL 16 HG22 VAL 16 -3.669 23.013 5.617
147 HG23 VAL 16 HG23 VAL 16 -2.649 24.123 4.712
148 H GLU 17 H GLU 17 -1.084 19.581 2.938
149 HA GLU 17 HA GLU 17 0.917 18.190 4.624
150 HB2 GLU 17 HB2 GLU 17 -0.709 16.947 2.374
151 HB3 GLU 17 HB3 GLU 17 0.718 16.202 3.116
152 HG2 GLU 17 HG2 GLU 17 -0.403 16.117 5.297
153 HG3 GLU 17 HG3 GLU 17 -1.823 16.917 4.628
154 H ILE 18 H ILE 18 2.895 17.695 3.659
155 HA ILE 18 HA ILE 18 3.495 18.832 0.969
156 HB ILE 18 HB ILE 18 5.343 19.224 3.347
157 HG12 ILE 18 HG12 ILE 18 4.795 21.764 2.629
158 HG13 ILE 18 HG13 ILE 18 3.235 21.064 2.233
159 HG21 ILE 18 HG21 ILE 18 6.473 18.980 1.165
160 HG22 ILE 18 HG22 ILE 18 5.476 20.295 0.502
161 HG23 ILE 18 HG23 ILE 18 6.625 20.609 1.813
162 HD11 ILE 18 HD11 ILE 18 4.694 21.041 4.914
163 HD12 ILE 18 HD12 ILE 18 3.217 21.922 4.507
164 HD13 ILE 18 HD13 ILE 18 3.169 20.161 4.634
165 H GLY 19 H GLY 19 4.165 17.183 -0.249
166 HA2 GLY 19 HA2 GLY 19 5.215 14.702 0.923
167 HA3 GLY 19 HA3 GLY 19 4.826 14.983 -0.763
168 H ASP 20 H ASP 20 7.128 13.664 0.269
169 HA ASP 20 HA ASP 20 9.355 13.466 -0.061
170 HB2 ASP 20 HB2 ASP 20 8.848 15.162 -2.509
171 HB3 ASP 20 HB3 ASP 20 10.137 13.976 -2.264
172 H VAL 21 H VAL 21 9.194 15.203 1.963
173 HA VAL 21 HA VAL 21 10.750 17.609 1.377
174 HB VAL 21 HB VAL 21 10.771 18.002 3.755
175 HG11 VAL 21 HG11 VAL 21 8.964 18.831 2.299
176 HG12 VAL 21 HG12 VAL 21 8.008 17.379 2.652
177 HG13 VAL 21 HG13 VAL 21 8.387 18.517 3.954
178 HG21 VAL 21 HG21 VAL 21 8.931 15.618 4.118
179 HG22 VAL 21 HG22 VAL 21 10.640 15.648 4.629
180 HG23 VAL 21 HG23 VAL 21 9.496 16.772 5.345
181 H LEU 22 H LEU 22 12.838 17.905 1.400
182 HA LEU 22 HA LEU 22 14.716 15.698 1.978
183 HB2 LEU 22 HB2 LEU 22 15.109 18.616 1.169
184 HB3 LEU 22 HB3 LEU 22 16.423 17.459 1.364
185 HG LEU 22 HG LEU 22 14.179 17.154 -0.674
186 HD11 LEU 22 HD11 LEU 22 15.870 17.870 -2.325
187 HD12 LEU 22 HD12 LEU 22 15.559 19.142 -1.139
188 HD13 LEU 22 HD13 LEU 22 17.039 18.160 -1.025
189 HD21 LEU 22 HD21 LEU 22 15.309 15.019 -0.056
190 HD22 LEU 22 HD22 LEU 22 15.664 15.508 -1.714
191 HD23 LEU 22 HD23 LEU 22 16.878 15.750 -0.436
192 H GLU 23 H GLU 23 13.496 18.660 3.480
193 HA GLU 23 HA GLU 23 14.787 18.050 6.040
194 HB2 GLU 23 HB2 GLU 23 16.573 19.177 4.833
195 HB3 GLU 23 HB3 GLU 23 15.517 20.519 4.389
196 HG2 GLU 23 HG2 GLU 23 15.365 21.290 6.670
197 HG3 GLU 23 HG3 GLU 23 16.154 19.837 7.284
198 H VAL 24 H VAL 24 13.851 19.033 7.791
199 HA VAL 24 HA VAL 24 11.890 21.239 7.425
200 HB VAL 24 HB VAL 24 11.234 18.887 9.224
201 HG11 VAL 24 HG11 VAL 24 8.963 19.837 9.154
202 HG12 VAL 24 HG12 VAL 24 10.133 20.972 9.831
203 HG13 VAL 24 HG13 VAL 24 9.562 21.183 8.168
204 HG21 VAL 24 HG21 VAL 24 10.183 19.264 6.401
205 HG22 VAL 24 HG22 VAL 24 11.168 17.920 7.009
206 HG23 VAL 24 HG23 VAL 24 9.538 18.149 7.620
207 H ARG 25 H ARG 25 12.118 22.777 9.049
208 HA ARG 25 HA ARG 25 13.527 22.042 11.564
209 HB2 ARG 25 HB2 ARG 25 14.436 24.652 10.501
210 HB3 ARG 25 HB3 ARG 25 15.266 23.448 11.453
211 HG2 ARG 25 HG2 ARG 25 16.514 23.351 9.548
212 HG3 ARG 25 HG3 ARG 25 15.358 22.094 9.160
213 HD2 ARG 25 HD2 ARG 25 15.480 23.442 7.202
214 HD3 ARG 25 HD3 ARG 25 13.989 23.950 7.973
215 HE ARG 25 HE ARG 25 14.986 26.027 8.555
216 HH11 ARG 25 HH11 ARG 25 17.541 23.984 7.190
217 HH12 ARG 25 HH12 ARG 25 18.567 25.376 6.957
218 HH21 ARG 25 HH21 ARG 25 16.303 27.587 8.357
219 HH22 ARG 25 HH22 ARG 25 17.907 27.417 7.630
220 H ALA 26 H ALA 26 12.994 23.129 13.332
221 HA ALA 26 HA ALA 26 10.826 25.142 13.276
222 HB1 ALA 26 HB1 ALA 26 10.947 24.968 15.720
223 HB2 ALA 26 HB2 ALA 26 10.719 23.377 14.977
224 HB3 ALA 26 HB3 ALA 26 12.318 23.845 15.598
225 H GLU 27 H GLU 27 11.171 27.249 13.552
226 HA GLU 27 HA GLU 27 13.840 28.406 14.177
227 HB2 GLU 27 HB2 GLU 27 12.224 28.636 11.626
228 HB3 GLU 27 HB3 GLU 27 13.116 30.049 12.186
229 HG2 GLU 27 HG2 GLU 27 15.196 28.813 12.278
230 HG3 GLU 27 HG3 GLU 27 14.384 27.311 11.794
231 H GLY 28 H GLY 28 13.365 30.988 13.986
232 HA2 GLY 28 HA2 GLY 28 12.190 31.628 16.441
233 HA3 GLY 28 HA3 GLY 28 12.686 32.769 15.191
234 H GLY 29 H GLY 29 10.055 30.760 16.293
235 HA2 GLY 29 HA2 GLY 29 7.793 31.288 16.596
236 HA3 GLY 29 HA3 GLY 29 7.992 32.763 15.647
237 H ALA 30 H ALA 30 9.182 29.857 14.128
238 HA ALA 30 HA ALA 30 6.700 29.202 12.721
239 HB1 ALA 30 HB1 ALA 30 9.042 30.472 11.226
240 HB2 ALA 30 HB2 ALA 30 7.543 29.865 10.500
241 HB3 ALA 30 HB3 ALA 30 7.504 31.287 11.549
242 H VAL 31 H VAL 31 6.902 27.429 11.229
243 HA VAL 31 HA VAL 31 9.458 25.842 11.374
244 HB VAL 31 HB VAL 31 6.656 24.969 10.669
245 HG11 VAL 31 HG11 VAL 31 8.031 23.850 9.038
246 HG12 VAL 31 HG12 VAL 31 9.263 23.444 10.268
247 HG13 VAL 31 HG13 VAL 31 7.669 22.686 10.303
248 HG21 VAL 31 HG21 VAL 31 6.982 23.407 12.516
249 HG22 VAL 31 HG22 VAL 31 8.686 23.893 12.683
250 HG23 VAL 31 HG23 VAL 31 7.386 25.034 13.073
251 H ARG 32 H ARG 32 10.577 25.363 9.566
252 HA ARG 32 HA ARG 32 9.588 26.298 6.904
253 HB2 ARG 32 HB2 ARG 32 12.308 26.808 8.147
254 HB3 ARG 32 HB3 ARG 32 12.081 26.745 6.392
255 HG2 ARG 32 HG2 ARG 32 10.472 28.568 6.446
256 HG3 ARG 32 HG3 ARG 32 10.497 28.600 8.215
257 HD2 ARG 32 HD2 ARG 32 11.834 30.424 7.330
258 HD3 ARG 32 HD3 ARG 32 12.840 29.263 8.198
259 HE ARG 32 HE ARG 32 12.681 28.965 5.244
260 HH11 ARG 32 HH11 ARG 32 14.703 29.977 7.969
261 HH12 ARG 32 HH12 ARG 32 16.069 30.253 6.906
262 HH21 ARG 32 HH21 ARG 32 14.500 29.154 4.059
263 HH22 ARG 32 HH22 ARG 32 15.981 29.720 4.794
264 H VAL 33 H VAL 33 10.162 25.089 5.150
265 HA VAL 33 HA VAL 33 11.529 22.503 5.561
266 HB VAL 33 HB VAL 33 9.766 21.321 5.888
267 HG11 VAL 33 HG11 VAL 33 7.938 23.670 5.348
268 HG12 VAL 33 HG12 VAL 33 7.415 22.087 5.971
269 HG13 VAL 33 HG13 VAL 33 8.511 23.064 6.926
270 HG21 VAL 33 HG21 VAL 33 8.091 20.814 4.203
271 HG22 VAL 33 HG22 VAL 33 8.623 22.206 3.235
272 HG23 VAL 33 HG23 VAL 33 9.717 20.826 3.527
273 H THR 34 H THR 34 12.227 21.437 3.745
274 HA THR 34 HA THR 34 12.075 22.953 1.162
275 HB THR 34 HB THR 34 14.521 21.557 2.308
276 HG1 THR 34 HG1 THR 34 14.137 23.541 3.273
277 HG21 THR 34 HG21 THR 34 15.693 22.619 0.364
278 HG22 THR 34 HG22 THR 34 14.534 21.396 -0.149
279 HG23 THR 34 HG23 THR 34 14.113 23.112 -0.292
280 H THR 35 H THR 35 11.478 21.798 -0.567
281 HA THR 35 HA THR 35 10.961 18.893 -0.240
282 HB THR 35 HB THR 35 9.558 19.071 -2.173
283 HG1 THR 35 HG1 THR 35 9.273 21.158 -3.125
284 HG21 THR 35 HG21 THR 35 7.845 20.565 -1.360
285 HG22 THR 35 HG22 THR 35 8.655 19.817 0.031
286 HG23 THR 35 HG23 THR 35 9.029 21.497 -0.413
287 H LEU 36 H LEU 36 11.289 17.393 -1.936
288 HA LEU 36 HA LEU 36 13.737 17.055 -3.183
289 HB2 LEU 36 HB2 LEU 36 11.944 15.374 -2.874
290 HB3 LEU 36 HB3 LEU 36 10.913 16.231 -4.015
291 HG LEU 36 HG LEU 36 12.603 15.703 -5.847
292 HD11 LEU 36 HD11 LEU 36 14.160 13.806 -5.314
293 HD12 LEU 36 HD12 LEU 36 14.584 15.316 -4.462
294 HD13 LEU 36 HD13 LEU 36 13.760 14.007 -3.591
295 HD21 LEU 36 HD21 LEU 36 10.553 14.393 -5.528
296 HD22 LEU 36 HD22 LEU 36 11.897 13.386 -6.079
297 HD23 LEU 36 HD23 LEU 36 11.386 13.334 -4.375
298 H PHE 37 H PHE 37 10.997 18.945 -4.297
299 HA PHE 37 HA PHE 37 11.995 19.403 -6.998
300 HB2 PHE 37 HB2 PHE 37 9.670 20.766 -5.615
301 HB3 PHE 37 HB3 PHE 37 9.912 20.506 -7.338
302 HD1 PHE 37 HD1 PHE 37 10.144 17.920 -8.056
303 HD2 PHE 37 HD2 PHE 37 8.262 19.304 -4.429
304 HE1 PHE 37 HE1 PHE 37 9.000 15.725 -7.812
305 HE2 PHE 37 HE2 PHE 37 7.130 17.102 -4.185
306 HZ PHE 37 HZ PHE 37 7.486 15.318 -5.870
307 H ASP 38 H ASP 38 13.202 20.555 -4.270
308 HA ASP 38 HA ASP 38 14.385 22.272 -3.553
309 HB2 ASP 38 HB2 ASP 38 15.535 21.825 -5.736
310 HB3 ASP 38 HB3 ASP 38 14.641 23.180 -6.435
311 H GLU 39 H GLU 39 11.543 22.599 -3.535
312 HA GLU 39 HA GLU 39 11.239 25.567 -3.617
313 HB2 GLU 39 HB2 GLU 39 9.519 24.323 -4.823
314 HB3 GLU 39 HB3 GLU 39 9.182 23.351 -3.404
315 HG2 GLU 39 HG2 GLU 39 7.438 24.933 -3.634
316 HG3 GLU 39 HG3 GLU 39 8.359 25.379 -2.210
317 H GLU 40 H GLU 40 10.821 26.738 -1.787
318 HA GLU 40 HA GLU 40 11.065 25.330 0.842
319 HB2 GLU 40 HB2 GLU 40 11.542 28.228 0.102
320 HB3 GLU 40 HB3 GLU 40 11.346 27.653 1.760
321 HG2 GLU 40 HG2 GLU 40 13.238 26.040 1.403
322 HG3 GLU 40 HG3 GLU 40 13.510 26.747 -0.180
323 H HIS 41 H HIS 41 9.587 25.482 2.364
324 HA HIS 41 HA HIS 41 7.135 27.140 1.966
325 HB2 HIS 41 HB2 HIS 41 7.229 24.345 3.158
326 HB3 HIS 41 HB3 HIS 41 5.819 25.398 3.090
327 HD2 HIS 41 HD2 HIS 41 7.599 22.776 1.117
328 HE1 HIS 41 HE1 HIS 41 4.882 24.541 -1.648
329 HE2 HIS 41 HE2 HIS 41 6.463 22.572 -1.241
330 H ALA 42 H ALA 42 6.240 28.023 3.863
331 HA ALA 42 HA ALA 42 7.792 27.825 6.378
332 HB1 ALA 42 HB1 ALA 42 7.977 30.270 6.530
333 HB2 ALA 42 HB2 ALA 42 8.810 29.666 5.072
334 HB3 ALA 42 HB3 ALA 42 7.219 30.447 4.931
335 H PHE 43 H PHE 43 6.590 28.000 8.160
336 HA PHE 43 HA PHE 43 3.683 28.672 7.976
337 HB2 PHE 43 HB2 PHE 43 4.867 26.160 9.177
338 HB3 PHE 43 HB3 PHE 43 3.164 26.621 9.134
339 HD1 PHE 43 HD1 PHE 43 2.091 27.012 6.783
340 HD2 PHE 43 HD2 PHE 43 5.746 24.815 7.436
341 HE1 PHE 43 HE1 PHE 43 1.811 25.889 4.581
342 HE2 PHE 43 HE2 PHE 43 5.463 23.693 5.228
343 HZ PHE 43 HZ PHE 43 3.505 24.253 3.801
344 HA PRO 44 HA PRO 44 5.337 30.802 11.694
345 HB2 PRO 44 HB2 PRO 44 2.881 32.432 11.092
346 HB3 PRO 44 HB3 PRO 44 4.501 32.980 11.628
347 HG2 PRO 44 HG2 PRO 44 3.785 33.222 9.031
348 HG3 PRO 44 HG3 PRO 44 5.421 32.616 9.442
349 HD2 PRO 44 HD2 PRO 44 2.963 31.009 8.678
350 HD3 PRO 44 HD3 PRO 44 4.649 30.873 8.077
351 H GLY 45 H GLY 45 4.695 30.698 13.807
352 HA2 GLY 45 HA2 GLY 45 3.397 30.274 15.678
353 HA3 GLY 45 HA3 GLY 45 1.984 30.027 14.665
354 H LEU 46 H LEU 46 4.441 28.013 13.497
355 HA LEU 46 HA LEU 46 3.435 25.693 15.070
356 HB2 LEU 46 HB2 LEU 46 4.759 25.714 12.343
357 HB3 LEU 46 HB3 LEU 46 4.165 24.295 13.211
358 HG LEU 46 HG LEU 46 2.501 26.550 12.022
359 HD11 LEU 46 HD11 LEU 46 1.668 24.813 10.559
360 HD12 LEU 46 HD12 LEU 46 3.438 24.727 10.519
361 HD13 LEU 46 HD13 LEU 46 2.526 23.550 11.474
362 HD21 LEU 46 HD21 LEU 46 0.521 25.179 12.677
363 HD22 LEU 46 HD22 LEU 46 1.575 24.128 13.633
364 HD23 LEU 46 HD23 LEU 46 1.371 25.841 14.083
365 H ALA 47 H ALA 47 4.814 23.969 15.491
366 HA ALA 47 HA ALA 47 7.732 24.253 15.273
367 HB1 ALA 47 HB1 ALA 47 6.317 23.592 17.900
368 HB2 ALA 47 HB2 ALA 47 8.066 23.466 17.609
369 HB3 ALA 47 HB3 ALA 47 7.279 25.050 17.572
370 H ILE 48 H ILE 48 8.777 22.049 15.484
371 HA ILE 48 HA ILE 48 7.157 20.026 14.147
372 HB ILE 48 HB ILE 48 10.000 19.845 15.186
373 HG12 ILE 48 HG12 ILE 48 9.035 20.224 12.316
374 HG13 ILE 48 HG13 ILE 48 9.559 21.561 13.330
375 HG21 ILE 48 HG21 ILE 48 8.963 17.598 14.970
376 HG22 ILE 48 HG22 ILE 48 8.406 17.997 13.334
377 HG23 ILE 48 HG23 ILE 48 10.132 17.837 13.680
378 HD11 ILE 48 HD11 ILE 48 11.792 20.464 13.602
379 HD12 ILE 48 HD12 ILE 48 11.281 19.260 12.398
380 HD13 ILE 48 HD13 ILE 48 11.387 20.956 11.943
381 H GLY 49 H GLY 49 5.924 18.519 15.078
382 HA2 GLY 49 HA2 GLY 49 5.882 18.292 18.030
383 HA3 GLY 49 HA3 GLY 49 4.618 17.818 16.896
384 H ARG 50 H ARG 50 5.893 16.102 15.143
385 HA ARG 50 HA ARG 50 7.248 13.998 16.747
386 HB2 ARG 50 HB2 ARG 50 4.603 13.492 15.309
387 HB3 ARG 50 HB3 ARG 50 5.655 12.266 16.014
388 HG2 ARG 50 HG2 ARG 50 5.321 13.355 18.264
389 HG3 ARG 50 HG3 ARG 50 4.121 14.416 17.519
390 HD2 ARG 50 HD2 ARG 50 2.755 12.515 16.873
391 HD3 ARG 50 HD3 ARG 50 3.989 11.380 17.460
392 HE ARG 50 HE ARG 50 3.323 12.985 19.671
393 HH11 ARG 50 HH11 ARG 50 1.528 10.771 17.624
394 HH12 ARG 50 HH12 ARG 50 0.421 10.364 18.914
395 HH21 ARG 50 HH21 ARG 50 1.995 12.322 21.262
396 HH22 ARG 50 HH22 ARG 50 0.635 11.272 20.907
397 H VAL 51 H VAL 51 8.218 12.381 15.616
398 HA VAL 51 HA VAL 51 8.199 12.416 12.648
399 HB VAL 51 HB VAL 51 10.788 12.011 14.190
400 HG11 VAL 51 HG11 VAL 51 10.614 10.894 11.988
401 HG12 VAL 51 HG12 VAL 51 10.170 12.444 11.239
402 HG13 VAL 51 HG13 VAL 51 11.783 12.220 11.947
403 HG21 VAL 51 HG21 VAL 51 10.212 14.366 14.471
404 HG22 VAL 51 HG22 VAL 51 11.535 14.192 13.336
405 HG23 VAL 51 HG23 VAL 51 9.899 14.529 12.732
406 H ASP 52 H ASP 52 7.411 10.538 12.067
407 HA ASP 52 HA ASP 52 7.778 8.112 13.763
408 HB2 ASP 52 HB2 ASP 52 5.799 8.703 11.528
409 HB3 ASP 52 HB3 ASP 52 5.868 7.226 12.496
410 H LEU 53 H LEU 53 9.892 7.476 13.081
411 HA LEU 53 HA LEU 53 10.662 7.360 10.309
412 HB2 LEU 53 HB2 LEU 53 11.858 5.890 12.691
413 HB3 LEU 53 HB3 LEU 53 12.569 6.027 11.105
414 HG LEU 53 HG LEU 53 13.744 7.474 12.480
415 HD11 LEU 53 HD11 LEU 53 13.445 9.676 11.448
416 HD12 LEU 53 HD12 LEU 53 13.272 8.375 10.260
417 HD13 LEU 53 HD13 LEU 53 11.833 9.212 10.885
418 HD21 LEU 53 HD21 LEU 53 12.942 9.222 13.863
419 HD22 LEU 53 HD22 LEU 53 11.274 8.992 13.349
420 HD23 LEU 53 HD23 LEU 53 12.094 7.748 14.323
421 H ARG 54 H ARG 54 8.946 5.122 12.346
422 HA ARG 54 HA ARG 54 9.036 2.794 10.635
423 HB2 ARG 54 HB2 ARG 54 6.960 3.775 12.655
424 HB3 ARG 54 HB3 ARG 54 6.908 2.196 11.877
425 HG2 ARG 54 HG2 ARG 54 9.153 1.662 12.806
426 HG3 ARG 54 HG3 ARG 54 9.148 3.188 13.693
427 HD2 ARG 54 HD2 ARG 54 7.070 0.979 13.975
428 HD3 ARG 54 HD3 ARG 54 8.470 1.178 15.026
429 HE ARG 54 HE ARG 54 7.129 3.644 15.122
430 HH11 ARG 54 HH11 ARG 54 6.350 0.343 16.012
431 HH12 ARG 54 HH12 ARG 54 5.239 0.851 17.256
432 HH21 ARG 54 HH21 ARG 54 5.690 4.227 16.751
433 HH22 ARG 54 HH22 ARG 54 4.889 2.963 17.646
434 H SER 55 H SER 55 7.357 5.796 10.201
435 HA SER 55 HA SER 55 5.648 4.602 8.028
436 HB2 SER 55 HB2 SER 55 5.015 6.981 9.817
437 HB3 SER 55 HB3 SER 55 4.008 6.327 8.521
438 HG SER 55 HG SER 55 4.748 5.053 10.976
439 H GLY 56 H GLY 56 8.043 7.043 8.702
440 HA2 GLY 56 HA2 GLY 56 9.091 8.548 7.267
441 HA3 GLY 56 HA3 GLY 56 8.093 7.997 5.927
442 H VAL 57 H VAL 57 6.885 9.229 9.053
443 HA VAL 57 HA VAL 57 5.596 11.530 7.606
444 HB VAL 57 HB VAL 57 4.375 9.843 9.798
445 HG11 VAL 57 HG11 VAL 57 3.283 12.251 8.278
446 HG12 VAL 57 HG12 VAL 57 2.334 11.185 9.336
447 HG13 VAL 57 HG13 VAL 57 3.628 12.170 10.017
448 HG21 VAL 57 HG21 VAL 57 2.716 9.242 8.055
449 HG22 VAL 57 HG22 VAL 57 3.648 10.144 6.851
450 HG23 VAL 57 HG23 VAL 57 4.333 8.696 7.606
451 H ILE 58 H ILE 58 5.895 13.454 8.343
452 HA ILE 58 HA ILE 58 6.909 13.968 11.110
453 HB ILE 58 HB ILE 58 7.194 15.499 8.514
454 HG12 ILE 58 HG12 ILE 58 9.308 14.525 10.486
455 HG13 ILE 58 HG13 ILE 58 8.805 13.618 9.063
456 HG21 ILE 58 HG21 ILE 58 6.640 17.171 10.238
457 HG22 ILE 58 HG22 ILE 58 7.878 16.486 11.321
458 HG23 ILE 58 HG23 ILE 58 8.336 17.306 9.816
459 HD11 ILE 58 HD11 ILE 58 9.499 15.549 7.620
460 HD12 ILE 58 HD12 ILE 58 10.224 16.296 9.076
461 HD13 ILE 58 HD13 ILE 58 10.808 14.739 8.506
462 H SER 59 H SER 59 5.622 15.160 12.452
463 HA SER 59 HA SER 59 3.122 16.372 11.326
464 HB2 SER 59 HB2 SER 59 2.582 14.285 12.486
465 HB3 SER 59 HB3 SER 59 3.387 14.887 13.947
466 HG SER 59 HG SER 59 1.102 15.226 13.967
467 H LEU 60 H LEU 60 2.855 18.442 11.744
468 HA LEU 60 HA LEU 60 4.614 19.803 13.728
469 HB2 LEU 60 HB2 LEU 60 2.825 21.086 11.659
470 HB3 LEU 60 HB3 LEU 60 4.101 21.848 12.608
471 HG LEU 60 HG LEU 60 4.440 19.851 10.340
472 HD11 LEU 60 HD11 LEU 60 5.280 22.761 10.626
473 HD12 LEU 60 HD12 LEU 60 5.579 21.709 9.230
474 HD13 LEU 60 HD13 LEU 60 3.930 22.163 9.653
475 HD21 LEU 60 HD21 LEU 60 6.888 20.222 10.585
476 HD22 LEU 60 HD22 LEU 60 6.582 21.137 12.082
477 HD23 LEU 60 HD23 LEU 60 6.217 19.405 11.991
478 H ILE 61 H ILE 61 3.827 21.271 15.212
479 HA ILE 61 HA ILE 61 0.942 21.220 15.927
480 HB ILE 61 HB ILE 61 1.535 20.954 18.327
481 HG12 ILE 61 HG12 ILE 61 3.744 19.657 18.754
482 HG13 ILE 61 HG13 ILE 61 4.350 20.404 17.282
483 HG21 ILE 61 HG21 ILE 61 1.723 18.551 18.269
484 HG22 ILE 61 HG22 ILE 61 0.688 19.094 16.935
485 HG23 ILE 61 HG23 ILE 61 2.362 18.598 16.618
486 HD11 ILE 61 HD11 ILE 61 3.317 21.881 19.747
487 HD12 ILE 61 HD12 ILE 61 5.016 21.595 19.345
488 HD13 ILE 61 HD13 ILE 61 4.047 22.645 18.313
489 H GLU 62 H GLU 62 0.323 23.004 17.432
490 HA GLU 62 HA GLU 62 1.537 25.495 16.538
491 HB2 GLU 62 HB2 GLU 62 -0.577 25.002 18.660
492 HB3 GLU 62 HB3 GLU 62 -0.056 26.581 18.065
493 HG2 GLU 62 HG2 GLU 62 -0.735 25.898 15.751
494 HG3 GLU 62 HG3 GLU 62 -1.383 24.394 16.408
495 H GLU 63 H GLU 63 2.954 26.836 17.528
496 HA GLU 63 HA GLU 63 4.649 25.700 19.592
497 HB2 GLU 63 HB2 GLU 63 6.117 27.504 19.151
498 HB3 GLU 63 HB3 GLU 63 5.444 26.951 17.631
499 HG2 GLU 63 HG2 GLU 63 5.269 29.178 17.264
500 HG3 GLU 63 HG3 GLU 63 3.701 28.928 17.999
501 H GLN 64 H GLN 64 1.822 27.440 19.902
502 HA GLN 64 HA GLN 64 2.242 27.705 22.797
503 HB2 GLN 64 HB2 GLN 64 1.273 29.913 22.949
504 HB3 GLN 64 HB3 GLN 64 2.717 29.949 21.932
505 HG2 GLN 64 HG2 GLN 64 1.229 29.932 19.897
506 HG3 GLN 64 HG3 GLN 64 -0.185 30.004 20.959
507 HE21 GLN 64 HE21 GLN 64 2.914 31.776 20.274
508 HE22 GLN 64 HE22 GLN 64 2.221 33.367 20.618
509 H ASN 65 H ASN 65 0.235 27.763 23.995
510 HA ASN 65 HA ASN 65 -2.036 26.404 22.592
511 HB2 ASN 65 HB2 ASN 65 -0.787 25.675 25.267
512 HB3 ASN 65 HB3 ASN 65 -2.155 24.856 24.497
513 HD21 ASN 65 HD21 ASN 65 -1.745 23.670 22.462
514 HD22 ASN 65 HD22 ASN 65 -0.119 23.077 22.144
515 H ARG 66 H ARG 66 -2.022 29.154 23.064
516 HA ARG 66 HA ARG 66 -3.539 29.926 25.418
517 HB2 ARG 66 HB2 ARG 66 -3.239 31.293 22.722
518 HB3 ARG 66 HB3 ARG 66 -3.899 32.037 24.158
519 HG2 ARG 66 HG2 ARG 66 -1.006 31.116 23.858
520 HG3 ARG 66 HG3 ARG 66 -1.615 32.751 23.668
521 HD2 ARG 66 HD2 ARG 66 -0.719 32.751 25.821
522 HD3 ARG 66 HD3 ARG 66 -2.460 32.638 26.065
523 HE ARG 66 HE ARG 66 -2.187 30.557 27.030
524 HH11 ARG 66 HH11 ARG 66 0.871 31.335 25.510
525 HH12 ARG 66 HH12 ARG 66 1.669 29.955 26.232
526 HH21 ARG 66 HH21 ARG 66 -1.126 28.827 27.868
527 HH22 ARG 66 HH22 ARG 66 0.565 28.582 27.532
528 H1 GLY -3 H1 GLY -3 20.107 -5.680 5.344
529 H2 GLY -3 H2 GLY -3 18.634 -4.977 5.218
530 H3 GLY -3 H3 GLY -3 19.610 -4.615 6.476
531 HA2 GLY -3 HA2 GLY -3 21.218 -3.562 5.034
532 HA3 GLY -3 HA3 GLY -3 20.188 -3.986 3.657
533 HA PRO -2 HA PRO -2 19.102 0.212 5.628
534 HB2 PRO -2 HB2 PRO -2 20.139 1.965 3.810
535 HB3 PRO -2 HB3 PRO -2 21.113 1.235 5.119
536 HG2 PRO -2 HG2 PRO -2 20.926 0.316 2.240
537 HG3 PRO -2 HG3 PRO -2 22.403 0.615 3.204
538 HD2 PRO -2 HD2 PRO -2 21.359 -1.882 2.924
539 HD3 PRO -2 HD3 PRO -2 22.081 -1.350 4.465
540 H GLY -1 H GLY -1 18.804 -0.998 2.304
541 HA2 GLY -1 HA2 GLY -1 17.069 -0.927 0.762
542 HA3 GLY -1 HA3 GLY -1 16.003 -0.672 2.142
543 H SER 0 H SER 0 14.668 0.669 0.862
544 HA SER 0 HA SER 0 15.546 3.260 -0.165
545 HB2 SER 0 HB2 SER 0 13.560 2.040 -1.021
546 HB3 SER 0 HB3 SER 0 12.769 2.235 0.555
547 HG SER 0 HG SER 0 13.467 4.216 -1.359
548 H MET 1 H MET 1 14.008 2.122 2.864
549 HA MET 1 HA MET 1 14.657 4.688 4.221
550 HB2 MET 1 HB2 MET 1 12.008 3.184 4.322
551 HB3 MET 1 HB3 MET 1 12.470 4.483 5.415
552 HG2 MET 1 HG2 MET 1 12.522 6.088 3.620
553 HG3 MET 1 HG3 MET 1 12.323 4.826 2.401
554 HE1 MET 1 HE1 MET 1 8.913 5.987 5.329
555 HE2 MET 1 HE2 MET 1 10.296 5.003 5.831
556 HE3 MET 1 HE3 MET 1 10.532 6.712 5.405
557 H CYS 2 H CYS 2 15.136 4.568 6.357
558 HA CYS 2 HA CYS 2 15.120 2.025 7.849
559 HB2 CYS 2 HB2 CYS 2 17.538 2.145 8.261
560 HB3 CYS 2 HB3 CYS 2 17.215 1.991 6.531
561 HG CYS 2 HG CYS 2 18.063 4.632 8.349
562 H MET 3 H MET 3 16.077 2.439 10.104
563 HA MET 3 HA MET 3 14.758 4.633 11.403
564 HB2 MET 3 HB2 MET 3 16.969 2.761 12.359
565 HB3 MET 3 HB3 MET 3 16.176 3.989 13.344
566 HG2 MET 3 HG2 MET 3 14.974 2.101 13.899
567 HG3 MET 3 HG3 MET 3 13.949 2.920 12.736
568 HE1 MET 3 HE1 MET 3 17.106 0.457 12.441
569 HE2 MET 3 HE2 MET 3 16.019 -0.173 13.701
570 HE3 MET 3 HE3 MET 3 16.246 -1.071 12.179
571 H ALA 4 H ALA 4 15.506 6.521 12.272
572 HA ALA 4 HA ALA 4 17.884 7.777 11.068
573 HB1 ALA 4 HB1 ALA 4 15.674 8.830 12.892
574 HB2 ALA 4 HB2 ALA 4 16.929 9.825 12.135
575 HB3 ALA 4 HB3 ALA 4 15.752 8.979 11.112
576 H LYS 5 H LYS 5 19.054 9.334 12.708
577 HA LYS 5 HA LYS 5 19.229 8.165 15.455
578 HB2 LYS 5 HB2 LYS 5 21.495 8.750 15.732
579 HB3 LYS 5 HB3 LYS 5 21.389 7.760 14.285
580 HG2 LYS 5 HG2 LYS 5 21.678 9.731 12.855
581 HG3 LYS 5 HG3 LYS 5 21.574 10.816 14.260
582 HD2 LYS 5 HD2 LYS 5 23.579 9.728 15.239
583 HD3 LYS 5 HD3 LYS 5 23.757 8.746 13.770
584 HE2 LYS 5 HE2 LYS 5 24.065 10.778 12.417
585 HE3 LYS 5 HE3 LYS 5 23.730 11.805 13.823
586 HZ1 LYS 5 HZ1 LYS 5 25.727 10.914 14.887
587 HZ2 LYS 5 HZ2 LYS 5 26.046 9.963 13.584
588 HZ3 LYS 5 HZ3 LYS 5 26.109 11.588 13.439
589 H VAL 6 H VAL 6 19.403 9.568 17.154
590 HA VAL 6 HA VAL 6 18.502 12.373 16.627
591 HB VAL 6 HB VAL 6 18.126 10.635 19.055
592 HG11 VAL 6 HG11 VAL 6 18.560 12.891 19.911
593 HG12 VAL 6 HG12 VAL 6 17.411 13.568 18.736
594 HG13 VAL 6 HG13 VAL 6 16.847 12.519 20.041
595 HG21 VAL 6 HG21 VAL 6 15.771 10.887 18.627
596 HG22 VAL 6 HG22 VAL 6 16.081 12.037 17.312
597 HG23 VAL 6 HG23 VAL 6 16.538 10.334 17.129
598 H VAL 7 H VAL 7 19.647 14.094 17.437
599 HA VAL 7 HA VAL 7 21.954 13.608 19.247
600 HB VAL 7 HB VAL 7 22.912 13.887 17.042
601 HG11 VAL 7 HG11 VAL 7 22.800 15.963 15.775
602 HG12 VAL 7 HG12 VAL 7 21.195 15.228 15.904
603 HG13 VAL 7 HG13 VAL 7 21.618 16.635 16.921
604 HG21 VAL 7 HG21 VAL 7 24.498 15.645 17.539
605 HG22 VAL 7 HG22 VAL 7 23.366 16.444 18.647
606 HG23 VAL 7 HG23 VAL 7 24.056 14.861 19.067
607 H LEU 8 H LEU 8 22.186 15.012 20.876
608 HA LEU 8 HA LEU 8 20.647 17.530 21.006
609 HB2 LEU 8 HB2 LEU 8 19.523 16.973 23.054
610 HB3 LEU 8 HB3 LEU 8 19.148 15.786 21.825
611 HG LEU 8 HG LEU 8 21.093 14.381 22.995
612 HD11 LEU 8 HD11 LEU 8 20.961 14.685 25.503
613 HD12 LEU 8 HD12 LEU 8 21.782 16.015 24.698
614 HD13 LEU 8 HD13 LEU 8 20.102 16.217 25.236
615 HD21 LEU 8 HD21 LEU 8 19.382 13.319 24.418
616 HD22 LEU 8 HD22 LEU 8 18.303 14.713 24.180
617 HD23 LEU 8 HD23 LEU 8 18.749 13.669 22.815
618 H THR 9 H THR 9 21.226 18.817 22.924
619 HA THR 9 HA THR 9 23.921 18.197 24.053
620 HB THR 9 HB THR 9 22.954 21.005 23.470
621 HG1 THR 9 HG1 THR 9 23.380 19.971 21.528
622 HG21 THR 9 HG21 THR 9 25.683 19.865 24.235
623 HG22 THR 9 HG22 THR 9 25.347 21.566 23.844
624 HG23 THR 9 HG23 THR 9 24.628 20.843 25.286
625 H LYS 10 H LYS 10 24.010 18.148 26.200
626 HA LYS 10 HA LYS 10 21.594 18.420 27.804
627 HB2 LYS 10 HB2 LYS 10 24.504 17.858 28.519
628 HB3 LYS 10 HB3 LYS 10 23.154 17.741 29.651
629 HG2 LYS 10 HG2 LYS 10 22.087 16.000 28.260
630 HG3 LYS 10 HG3 LYS 10 23.440 16.058 27.126
631 HD2 LYS 10 HD2 LYS 10 23.684 15.318 30.077
632 HD3 LYS 10 HD3 LYS 10 23.564 14.159 28.750
633 HE2 LYS 10 HE2 LYS 10 25.646 15.102 27.738
634 HE3 LYS 10 HE3 LYS 10 25.793 16.211 29.109
635 HZ1 LYS 10 HZ1 LYS 10 27.135 14.224 29.454
636 HZ2 LYS 10 HZ2 LYS 10 25.954 14.278 30.578
637 HZ3 LYS 10 HZ3 LYS 10 25.841 13.246 29.315
638 H ALA 11 H ALA 11 21.535 19.634 29.857
639 HA ALA 11 HA ALA 11 22.143 22.418 29.645
640 HB1 ALA 11 HB1 ALA 11 20.345 21.462 31.069
641 HB2 ALA 11 HB2 ALA 11 21.574 20.701 32.107
642 HB3 ALA 11 HB3 ALA 11 21.455 22.479 32.015
643 H ASP 12 H ASP 12 24.113 19.744 30.765
644 HA ASP 12 HA ASP 12 26.199 21.308 32.058
645 HB2 ASP 12 HB2 ASP 12 26.224 18.484 30.936
646 HB3 ASP 12 HB3 ASP 12 27.456 19.181 31.981
647 H GLY 13 H GLY 13 25.357 21.118 28.792
648 HA2 GLY 13 HA2 GLY 13 26.378 22.109 26.987
649 HA3 GLY 13 HA3 GLY 13 27.886 22.258 27.895
650 H GLY 14 H GLY 14 27.154 19.063 28.256
651 HA2 GLY 14 HA2 GLY 14 28.909 18.154 26.068
652 HA3 GLY 14 HA3 GLY 14 28.232 17.171 27.372
653 H ARG 15 H ARG 15 28.304 16.902 24.320
654 HA ARG 15 HA ARG 15 25.439 16.781 23.597
655 HB2 ARG 15 HB2 ARG 15 27.861 15.864 22.016
656 HB3 ARG 15 HB3 ARG 15 26.175 15.891 21.462
657 HG2 ARG 15 HG2 ARG 15 26.233 18.424 22.036
658 HG3 ARG 15 HG3 ARG 15 27.988 18.249 22.035
659 HD2 ARG 15 HD2 ARG 15 26.076 17.598 19.742
660 HD3 ARG 15 HD3 ARG 15 27.126 19.003 19.850
661 HE ARG 15 HE ARG 15 29.045 17.684 19.455
662 HH11 ARG 15 HH11 ARG 15 26.181 15.685 19.142
663 HH12 ARG 15 HH12 ARG 15 27.069 14.420 18.304
664 HH21 ARG 15 HH21 ARG 15 30.071 15.999 18.391
665 HH22 ARG 15 HH22 ARG 15 29.126 14.612 17.901
666 H VAL 16 H VAL 16 24.356 14.979 22.883
667 HA VAL 16 HA VAL 16 25.352 12.272 23.597
668 HB VAL 16 HB VAL 16 22.608 13.329 24.367
669 HG11 VAL 16 HG11 VAL 16 22.263 11.095 25.393
670 HG12 VAL 16 HG12 VAL 16 22.370 11.010 23.634
671 HG13 VAL 16 HG13 VAL 16 23.761 10.531 24.639
672 HG21 VAL 16 HG21 VAL 16 24.306 14.017 25.991
673 HG22 VAL 16 HG22 VAL 16 23.285 12.759 26.685
674 HG23 VAL 16 HG23 VAL 16 24.909 12.349 26.100
675 H GLU 17 H GLU 17 24.742 10.696 22.135
676 HA GLU 17 HA GLU 17 22.845 11.426 19.971
677 HB2 GLU 17 HB2 GLU 17 25.542 10.083 19.583
678 HB3 GLU 17 HB3 GLU 17 24.256 10.129 18.373
679 HG2 GLU 17 HG2 GLU 17 24.287 12.610 18.434
680 HG3 GLU 17 HG3 GLU 17 25.628 12.576 19.590
681 H ILE 18 H ILE 18 21.552 9.838 19.211
682 HA ILE 18 HA ILE 18 21.515 7.205 20.642
683 HB ILE 18 HB ILE 18 19.094 8.921 20.020
684 HG12 ILE 18 HG12 ILE 18 20.295 8.499 22.793
685 HG13 ILE 18 HG13 ILE 18 20.497 9.967 21.836
686 HG21 ILE 18 HG21 ILE 18 18.706 6.459 20.060
687 HG22 ILE 18 HG22 ILE 18 19.370 6.391 21.709
688 HG23 ILE 18 HG23 ILE 18 17.864 7.280 21.376
689 HD11 ILE 18 HD11 ILE 18 18.760 10.427 23.331
690 HD12 ILE 18 HD12 ILE 18 18.016 10.242 21.733
691 HD13 ILE 18 HD13 ILE 18 17.888 8.932 22.941
692 H GLY 19 H GLY 19 21.957 5.758 19.079
693 HA2 GLY 19 HA2 GLY 19 21.342 6.199 16.268
694 HA3 GLY 19 HA3 GLY 19 22.112 4.779 16.970
695 H ASP 20 H ASP 20 20.113 4.907 14.914
696 HA ASP 20 HA ASP 20 18.333 3.773 14.165
697 HB2 ASP 20 HB2 ASP 20 19.233 1.817 16.285
698 HB3 ASP 20 HB3 ASP 20 18.228 1.432 14.868
699 H VAL 21 H VAL 21 17.168 5.692 15.406
700 HA VAL 21 HA VAL 21 15.229 4.762 17.387
701 HB VAL 21 HB VAL 21 14.364 6.966 17.424
702 HG11 VAL 21 HG11 VAL 21 16.361 8.185 18.214
703 HG12 VAL 21 HG12 VAL 21 16.385 6.496 18.756
704 HG13 VAL 21 HG13 VAL 21 17.408 7.027 17.403
705 HG21 VAL 21 HG21 VAL 21 15.178 8.837 16.169
706 HG22 VAL 21 HG22 VAL 21 16.303 7.807 15.261
707 HG23 VAL 21 HG23 VAL 21 14.551 7.647 15.049
708 H LEU 22 H LEU 22 13.194 4.229 17.156
709 HA LEU 22 HA LEU 22 12.015 3.778 14.487
710 HB2 LEU 22 HB2 LEU 22 11.022 3.228 17.314
711 HB3 LEU 22 HB3 LEU 22 10.141 2.796 15.858
712 HG LEU 22 HG LEU 22 12.852 1.660 16.660
713 HD11 LEU 22 HD11 LEU 22 10.998 0.924 18.116
714 HD12 LEU 22 HD12 LEU 22 10.042 0.474 16.703
715 HD13 LEU 22 HD13 LEU 22 11.532 -0.407 17.081
716 HD21 LEU 22 HD21 LEU 22 12.450 0.018 14.853
717 HD22 LEU 22 HD22 LEU 22 10.963 0.861 14.401
718 HD23 LEU 22 HD23 LEU 22 12.538 1.658 14.192
719 H GLU 23 H GLU 23 11.640 5.994 17.270
720 HA GLU 23 HA GLU 23 9.794 7.704 15.750
721 HB2 GLU 23 HB2 GLU 23 8.374 5.841 16.600
722 HB3 GLU 23 HB3 GLU 23 8.838 6.233 18.252
723 HG2 GLU 23 HG2 GLU 23 7.709 8.365 18.154
724 HG3 GLU 23 HG3 GLU 23 7.501 8.248 16.402
725 H VAL 24 H VAL 24 9.652 9.770 16.537
726 HA VAL 24 HA VAL 24 10.915 10.427 19.152
727 HB VAL 24 HB VAL 24 11.495 11.917 16.567
728 HG11 VAL 24 HG11 VAL 24 13.204 13.099 17.979
729 HG12 VAL 24 HG12 VAL 24 11.558 13.418 18.503
730 HG13 VAL 24 HG13 VAL 24 12.557 12.267 19.407
731 HG21 VAL 24 HG21 VAL 24 13.830 11.133 16.834
732 HG22 VAL 24 HG22 VAL 24 13.326 10.099 18.186
733 HG23 VAL 24 HG23 VAL 24 12.729 9.798 16.542
734 H ARG 25 H ARG 25 9.928 12.091 20.265
735 HA ARG 25 HA ARG 25 7.750 13.645 18.918
736 HB2 ARG 25 HB2 ARG 25 7.358 12.267 21.589
737 HB3 ARG 25 HB3 ARG 25 6.165 13.132 20.635
738 HG2 ARG 25 HG2 ARG 25 6.199 11.273 18.945
739 HG3 ARG 25 HG3 ARG 25 7.395 10.411 19.952
740 HD2 ARG 25 HD2 ARG 25 5.860 10.480 21.873
741 HD3 ARG 25 HD3 ARG 25 4.669 11.355 20.883
742 HE ARG 25 HE ARG 25 5.284 8.880 19.599
743 HH11 ARG 25 HH11 ARG 25 3.561 10.079 22.433
744 HH12 ARG 25 HH12 ARG 25 2.431 8.744 22.379
745 HH21 ARG 25 HH21 ARG 25 3.949 7.291 19.618
746 HH22 ARG 25 HH22 ARG 25 2.664 7.119 20.821
747 H ALA 26 H ALA 26 7.682 15.726 19.555
748 HA ALA 26 HA ALA 26 8.933 16.594 22.125
749 HB1 ALA 26 HB1 ALA 26 9.580 17.867 20.147
750 HB2 ALA 26 HB2 ALA 26 7.883 18.169 19.747
751 HB3 ALA 26 HB3 ALA 26 8.578 18.861 21.217
752 H GLU 27 H GLU 27 7.510 16.052 23.713
753 HA GLU 27 HA GLU 27 4.883 17.314 23.795
754 HB2 GLU 27 HB2 GLU 27 3.519 15.342 24.030
755 HB3 GLU 27 HB3 GLU 27 4.309 15.374 22.460
756 HG2 GLU 27 HG2 GLU 27 5.982 13.696 23.332
757 HG3 GLU 27 HG3 GLU 27 5.074 13.639 24.849
758 H GLY 28 H GLY 28 3.921 17.353 25.863
759 HA2 GLY 28 HA2 GLY 28 3.834 17.361 28.162
760 HA3 GLY 28 HA3 GLY 28 4.905 15.961 28.165
761 H GLY 29 H GLY 29 5.935 19.021 26.717
762 HA2 GLY 29 HA2 GLY 29 7.537 20.586 27.342
763 HA3 GLY 29 HA3 GLY 29 7.440 20.014 29.008
764 H ALA 30 H ALA 30 8.110 17.635 26.578
765 HA ALA 30 HA ALA 30 11.033 17.612 27.069
766 HB1 ALA 30 HB1 ALA 30 9.095 15.312 27.632
767 HB2 ALA 30 HB2 ALA 30 10.859 15.243 27.813
768 HB3 ALA 30 HB3 ALA 30 9.891 16.287 28.879
769 H VAL 31 H VAL 31 12.120 15.926 25.729
770 HA VAL 31 HA VAL 31 10.518 15.115 23.338
771 HB VAL 31 HB VAL 31 13.497 15.425 23.527
772 HG11 VAL 31 HG11 VAL 31 13.448 14.609 21.108
773 HG12 VAL 31 HG12 VAL 31 13.151 13.343 22.309
774 HG13 VAL 31 HG13 VAL 31 11.805 14.049 21.389
775 HG21 VAL 31 HG21 VAL 31 11.380 16.531 21.615
776 HG22 VAL 31 HG22 VAL 31 12.041 17.400 23.000
777 HG23 VAL 31 HG23 VAL 31 13.109 16.972 21.661
778 H ARG 32 H ARG 32 9.999 13.121 23.052
779 HA ARG 32 HA ARG 32 11.192 10.950 24.733
780 HB2 ARG 32 HB2 ARG 32 8.551 11.059 23.230
781 HB3 ARG 32 HB3 ARG 32 9.205 9.612 24.006
782 HG2 ARG 32 HG2 ARG 32 9.084 10.648 26.212
783 HG3 ARG 32 HG3 ARG 32 8.613 12.195 25.497
784 HD2 ARG 32 HD2 ARG 32 6.636 11.160 26.363
785 HD3 ARG 32 HD3 ARG 32 6.547 11.143 24.599
786 HE ARG 32 HE ARG 32 7.641 8.677 25.745
787 HH11 ARG 32 HH11 ARG 32 4.602 10.207 24.756
788 HH12 ARG 32 HH12 ARG 32 3.710 8.744 25.090
789 HH21 ARG 32 HH21 ARG 32 6.450 6.827 25.874
790 HH22 ARG 32 HH22 ARG 32 4.730 6.877 25.599
791 H VAL 33 H VAL 33 11.995 9.139 23.772
792 HA VAL 33 HA VAL 33 12.052 8.924 20.797
793 HB VAL 33 HB VAL 33 14.530 8.470 22.473
794 HG11 VAL 33 HG11 VAL 33 14.156 8.471 19.491
795 HG12 VAL 33 HG12 VAL 33 15.713 8.392 20.366
796 HG13 VAL 33 HG13 VAL 33 14.543 7.089 20.531
797 HG21 VAL 33 HG21 VAL 33 15.498 10.464 21.376
798 HG22 VAL 33 HG22 VAL 33 13.929 10.821 20.635
799 HG23 VAL 33 HG23 VAL 33 14.134 10.918 22.397
800 H THR 34 H THR 34 11.821 6.878 20.052
801 HA THR 34 HA THR 34 12.042 4.589 21.995
802 HB THR 34 HB THR 34 10.278 4.705 19.526
803 HG1 THR 34 HG1 THR 34 9.502 5.970 21.227
804 HG21 THR 34 HG21 THR 34 10.999 2.409 20.015
805 HG22 THR 34 HG22 THR 34 10.556 2.604 21.719
806 HG23 THR 34 HG23 THR 34 9.301 2.617 20.454
807 H THR 35 H THR 35 13.608 3.085 21.520
808 HA THR 35 HA THR 35 15.002 3.265 18.880
809 HB THR 35 HB THR 35 16.804 2.034 19.879
810 HG1 THR 35 HG1 THR 35 16.724 1.542 22.103
811 HG21 THR 35 HG21 THR 35 16.793 4.477 20.164
812 HG22 THR 35 HG22 THR 35 15.939 4.308 21.711
813 HG23 THR 35 HG23 THR 35 17.590 3.653 21.528
814 H LEU 36 H LEU 36 15.827 1.202 17.963
815 HA LEU 36 HA LEU 36 13.783 -0.551 17.241
816 HB2 LEU 36 HB2 LEU 36 15.340 -1.675 15.972
817 HB3 LEU 36 HB3 LEU 36 15.954 -0.028 16.049
818 HG LEU 36 HG LEU 36 17.006 -2.430 17.648
819 HD11 LEU 36 HD11 LEU 36 17.497 -2.520 15.237
820 HD12 LEU 36 HD12 LEU 36 18.220 -0.902 15.328
821 HD13 LEU 36 HD13 LEU 36 18.958 -2.266 16.202
822 HD21 LEU 36 HD21 LEU 36 18.936 -0.894 18.168
823 HD22 LEU 36 HD22 LEU 36 17.976 0.457 17.528
824 HD23 LEU 36 HD23 LEU 36 17.442 -0.433 18.967
825 H PHE 37 H PHE 37 15.533 -0.707 20.189
826 HA PHE 37 HA PHE 37 15.025 -3.558 20.698
827 HB2 PHE 37 HB2 PHE 37 15.990 -1.366 22.559
828 HB3 PHE 37 HB3 PHE 37 16.064 -3.108 22.864
829 HD1 PHE 37 HD1 PHE 37 17.211 -4.371 20.605
830 HD2 PHE 37 HD2 PHE 37 18.128 -0.479 22.212
831 HE1 PHE 37 HE1 PHE 37 19.495 -4.497 19.619
832 HE2 PHE 37 HE2 PHE 37 20.395 -0.599 21.215
833 HZ PHE 37 HZ PHE 37 21.085 -2.607 19.915
834 H ASP 38 H ASP 38 12.947 -1.069 20.521
835 HA ASP 38 HA ASP 38 10.987 -0.442 21.315
836 HB2 ASP 38 HB2 ASP 38 10.732 -3.037 22.861
837 HB3 ASP 38 HB3 ASP 38 9.447 -1.926 22.435
838 H GLU 39 H GLU 39 13.590 -0.152 22.947
839 HA GLU 39 HA GLU 39 12.600 0.504 25.644
840 HB2 GLU 39 HB2 GLU 39 15.275 0.872 24.253
841 HB3 GLU 39 HB3 GLU 39 14.929 1.521 25.855
842 HG2 GLU 39 HG2 GLU 39 14.426 -0.707 26.724
843 HG3 GLU 39 HG3 GLU 39 14.646 -1.410 25.119
844 H GLU 40 H GLU 40 12.140 2.441 26.443
845 HA GLU 40 HA GLU 40 11.940 4.770 24.572
846 HB2 GLU 40 HB2 GLU 40 10.442 4.152 27.144
847 HB3 GLU 40 HB3 GLU 40 10.418 5.713 26.312
848 HG2 GLU 40 HG2 GLU 40 9.572 4.582 24.248
849 HG3 GLU 40 HG3 GLU 40 9.502 3.054 25.143
850 H HIS 41 H HIS 41 12.637 6.753 25.120
851 HA HIS 41 HA HIS 41 14.262 7.207 27.582
852 HB2 HIS 41 HB2 HIS 41 15.132 8.029 24.781
853 HB3 HIS 41 HB3 HIS 41 16.023 8.257 26.282
854 HD2 HIS 41 HD2 HIS 41 15.214 5.663 23.597
855 HE1 HIS 41 HE1 HIS 41 17.940 3.740 26.247
856 HE2 HIS 41 HE2 HIS 41 16.724 3.542 24.029
857 H ALA 42 H ALA 42 14.266 9.416 28.266
858 HA ALA 42 HA ALA 42 12.531 11.299 26.785
859 HB1 ALA 42 HB1 ALA 42 11.039 10.135 28.343
860 HB2 ALA 42 HB2 ALA 42 12.110 10.557 29.704
861 HB3 ALA 42 HB3 ALA 42 11.249 11.826 28.812
862 H PHE 43 H PHE 43 13.017 13.363 26.935
863 HA PHE 43 HA PHE 43 15.344 14.245 28.592
864 HB2 PHE 43 HB2 PHE 43 14.910 14.738 25.633
865 HB3 PHE 43 HB3 PHE 43 16.264 15.285 26.619
866 HD1 PHE 43 HD1 PHE 43 17.804 13.544 27.677
867 HD2 PHE 43 HD2 PHE 43 14.885 12.549 24.656
868 HE1 PHE 43 HE1 PHE 43 18.938 11.364 27.297
869 HE2 PHE 43 HE2 PHE 43 16.033 10.386 24.263
870 HZ PHE 43 HZ PHE 43 18.025 9.768 25.606
871 HA PRO 44 HA PRO 44 11.900 17.257 29.123
872 HB2 PRO 44 HB2 PRO 44 12.533 18.097 31.671
873 HB3 PRO 44 HB3 PRO 44 11.574 16.640 31.287
874 HG2 PRO 44 HG2 PRO 44 14.535 16.814 31.906
875 HG3 PRO 44 HG3 PRO 44 13.334 15.645 32.554
876 HD2 PRO 44 HD2 PRO 44 14.994 15.020 30.511
877 HD3 PRO 44 HD3 PRO 44 13.311 14.415 30.551
878 H GLY 45 H GLY 45 11.783 19.405 28.880
879 HA2 GLY 45 HA2 GLY 45 12.473 21.619 28.665
880 HA3 GLY 45 HA3 GLY 45 14.131 21.191 29.091
881 H LEU 46 H LEU 46 13.222 19.051 26.663
882 HA LEU 46 HA LEU 46 14.396 20.756 24.518
883 HB2 LEU 46 HB2 LEU 46 14.135 17.738 24.657
884 HB3 LEU 46 HB3 LEU 46 14.856 18.655 23.344
885 HG LEU 46 HG LEU 46 15.930 18.404 26.175
886 HD11 LEU 46 HD11 LEU 46 17.118 17.558 23.499
887 HD12 LEU 46 HD12 LEU 46 17.743 17.200 25.127
888 HD13 LEU 46 HD13 LEU 46 16.226 16.474 24.576
889 HD21 LEU 46 HD21 LEU 46 16.492 20.654 25.390
890 HD22 LEU 46 HD22 LEU 46 17.926 19.628 25.329
891 HD23 LEU 46 HD23 LEU 46 17.053 19.992 23.827
892 H ALA 47 H ALA 47 13.676 20.591 22.416
893 HA ALA 47 HA ALA 47 11.134 19.279 21.738
894 HB1 ALA 47 HB1 ALA 47 11.685 22.230 21.158
895 HB2 ALA 47 HB2 ALA 47 10.374 21.269 20.446
896 HB3 ALA 47 HB3 ALA 47 10.395 21.562 22.188
897 H ILE 48 H ILE 48 10.940 19.128 19.287
898 HA ILE 48 HA ILE 48 13.507 18.301 18.149
899 HB ILE 48 HB ILE 48 10.729 18.403 16.946
900 HG12 ILE 48 HG12 ILE 48 12.189 15.853 17.679
901 HG13 ILE 48 HG13 ILE 48 11.312 16.725 18.928
902 HG21 ILE 48 HG21 ILE 48 13.344 17.208 15.894
903 HG22 ILE 48 HG22 ILE 48 11.752 16.840 15.207
904 HG23 ILE 48 HG23 ILE 48 12.376 18.485 15.136
905 HD11 ILE 48 HD11 ILE 48 10.083 15.692 16.339
906 HD12 ILE 48 HD12 ILE 48 9.864 15.025 17.966
907 HD13 ILE 48 HD13 ILE 48 9.221 16.633 17.584
908 H GLY 49 H GLY 49 14.879 19.569 17.090
909 HA2 GLY 49 HA2 GLY 49 14.128 22.367 16.422
910 HA3 GLY 49 HA3 GLY 49 15.746 21.690 16.606
911 H ARG 50 H ARG 50 15.732 19.541 14.882
912 HA ARG 50 HA ARG 50 14.902 20.468 12.198
913 HB2 ARG 50 HB2 ARG 50 16.980 21.664 12.538
914 HB3 ARG 50 HB3 ARG 50 17.810 20.188 13.041
915 HG2 ARG 50 HG2 ARG 50 17.681 19.253 10.815
916 HG3 ARG 50 HG3 ARG 50 16.655 20.583 10.258
917 HD2 ARG 50 HD2 ARG 50 18.477 22.191 10.665
918 HD3 ARG 50 HD3 ARG 50 19.515 20.903 11.280
919 HE ARG 50 HE ARG 50 18.747 21.451 8.468
920 HH11 ARG 50 HH11 ARG 50 20.376 19.132 10.583
921 HH12 ARG 50 HH12 ARG 50 21.046 18.275 9.211
922 HH21 ARG 50 HH21 ARG 50 19.661 20.273 6.829
923 HH22 ARG 50 HH22 ARG 50 20.588 18.820 7.218
924 H VAL 51 H VAL 51 14.746 18.916 10.692
925 HA VAL 51 HA VAL 51 15.477 16.098 11.349
926 HB VAL 51 HB VAL 51 12.869 17.009 10.057
927 HG11 VAL 51 HG11 VAL 51 13.603 14.801 9.305
928 HG12 VAL 51 HG12 VAL 51 13.868 14.279 10.976
929 HG13 VAL 51 HG13 VAL 51 12.229 14.613 10.406
930 HG21 VAL 51 HG21 VAL 51 11.730 16.248 12.088
931 HG22 VAL 51 HG22 VAL 51 13.304 15.923 12.874
932 HG23 VAL 51 HG23 VAL 51 12.824 17.578 12.453
933 H ASP 52 H ASP 52 16.796 15.328 9.835
934 HA ASP 52 HA ASP 52 16.913 16.630 7.138
935 HB2 ASP 52 HB2 ASP 52 18.739 17.109 8.728
936 HB3 ASP 52 HB3 ASP 52 19.150 15.398 8.782
937 H LEU 53 H LEU 53 15.797 15.330 5.838
938 HA LEU 53 HA LEU 53 15.693 12.442 6.231
939 HB2 LEU 53 HB2 LEU 53 14.371 14.195 4.112
940 HB3 LEU 53 HB3 LEU 53 14.022 12.518 4.450
941 HG LEU 53 HG LEU 53 12.258 13.679 5.329
942 HD11 LEU 53 HD11 LEU 53 13.129 11.867 6.776
943 HD12 LEU 53 HD12 LEU 53 14.029 13.070 7.725
944 HD13 LEU 53 HD13 LEU 53 12.263 13.104 7.694
945 HD21 LEU 53 HD21 LEU 53 14.007 15.515 6.996
946 HD22 LEU 53 HD22 LEU 53 13.231 15.944 5.443
947 HD23 LEU 53 HD23 LEU 53 12.254 15.523 6.840
948 H ARG 54 H ARG 54 17.903 14.351 4.586
949 HA ARG 54 HA ARG 54 18.372 12.750 2.204
950 HB2 ARG 54 HB2 ARG 54 20.367 14.384 3.837
951 HB3 ARG 54 HB3 ARG 54 20.536 13.857 2.161
952 HG2 ARG 54 HG2 ARG 54 18.674 15.326 1.457
953 HG3 ARG 54 HG3 ARG 54 18.395 15.810 3.143
954 HD2 ARG 54 HD2 ARG 54 20.835 16.592 3.214
955 HD3 ARG 54 HD3 ARG 54 20.876 16.348 1.480
956 HE ARG 54 HE ARG 54 19.611 18.299 1.189
957 HH11 ARG 54 HH11 ARG 54 19.327 17.422 4.635
958 HH12 ARG 54 HH12 ARG 54 18.840 19.081 5.005
959 HH21 ARG 54 HH21 ARG 54 18.921 20.350 1.933
960 HH22 ARG 54 HH22 ARG 54 18.637 20.536 3.666
961 H SER 55 H SER 55 19.506 12.535 5.533
962 HA SER 55 HA SER 55 20.698 9.838 5.004
963 HB2 SER 55 HB2 SER 55 21.853 12.051 6.754
964 HB3 SER 55 HB3 SER 55 22.558 10.446 6.499
965 HG SER 55 HG SER 55 22.925 10.938 4.358
966 H GLY 56 H GLY 56 18.391 11.492 6.913
967 HA2 GLY 56 HA2 GLY 56 17.035 10.639 8.578
968 HA3 GLY 56 HA3 GLY 56 17.994 9.158 8.627
969 H VAL 57 H VAL 57 18.312 12.655 9.405
970 HA VAL 57 HA VAL 57 19.452 11.932 12.080
971 HB VAL 57 HB VAL 57 20.488 14.174 10.318
972 HG11 VAL 57 HG11 VAL 57 20.566 14.844 12.679
973 HG12 VAL 57 HG12 VAL 57 21.320 13.287 13.117
974 HG13 VAL 57 HG13 VAL 57 22.193 14.459 12.114
975 HG21 VAL 57 HG21 VAL 57 21.805 11.579 11.232
976 HG22 VAL 57 HG22 VAL 57 21.358 12.004 9.563
977 HG23 VAL 57 HG23 VAL 57 22.629 12.909 10.383
978 H ILE 58 H ILE 58 18.638 12.956 13.777
979 HA ILE 58 HA ILE 58 16.701 15.208 13.387
980 HB ILE 58 HB ILE 58 16.563 12.738 15.136
981 HG12 ILE 58 HG12 ILE 58 14.540 13.864 13.159
982 HG13 ILE 58 HG13 ILE 58 15.732 12.641 12.738
983 HG21 ILE 58 HG21 ILE 58 14.832 15.236 15.320
984 HG22 ILE 58 HG22 ILE 58 14.469 13.697 16.123
985 HG23 ILE 58 HG23 ILE 58 15.906 14.590 16.584
986 HD11 ILE 58 HD11 ILE 58 14.776 11.130 14.518
987 HD12 ILE 58 HD12 ILE 58 13.435 12.307 14.680
988 HD13 ILE 58 HD13 ILE 58 13.719 11.486 13.148
989 H SER 59 H SER 59 17.341 17.019 14.343
990 HA SER 59 HA SER 59 19.304 16.925 16.605
991 HB2 SER 59 HB2 SER 59 18.584 19.282 14.846
992 HB3 SER 59 HB3 SER 59 19.882 19.203 16.039
993 HG SER 59 HG SER 59 20.966 17.725 14.750
994 H LEU 60 H LEU 60 18.659 17.522 18.589
995 HA LEU 60 HA LEU 60 15.990 18.800 18.949
996 HB2 LEU 60 HB2 LEU 60 17.752 17.566 21.068
997 HB3 LEU 60 HB3 LEU 60 16.065 18.050 21.198
998 HG LEU 60 HG LEU 60 17.194 15.714 19.610
999 HD11 LEU 60 HD11 LEU 60 15.303 15.885 21.995
1000 HD12 LEU 60 HD12 LEU 60 15.826 14.389 21.179
1001 HD13 LEU 60 HD13 LEU 60 16.994 15.377 22.050
1002 HD21 LEU 60 HD21 LEU 60 15.321 16.607 18.305
1003 HD22 LEU 60 HD22 LEU 60 14.823 15.119 19.121
1004 HD23 LEU 60 HD23 LEU 60 14.305 16.693 19.762
1005 H ILE 61 H ILE 61 15.678 20.511 20.373
1006 HA ILE 61 HA ILE 61 17.972 22.233 21.124
1007 HB ILE 61 HB ILE 61 16.815 24.231 20.238
1008 HG12 ILE 61 HG12 ILE 61 15.246 23.767 18.212
1009 HG13 ILE 61 HG13 ILE 61 14.875 22.243 19.001
1010 HG21 ILE 61 HG21 ILE 61 17.526 22.211 18.095
1011 HG22 ILE 61 HG22 ILE 61 17.559 23.979 17.957
1012 HG23 ILE 61 HG23 ILE 61 18.681 23.157 19.057
1013 HD11 ILE 61 HD11 ILE 61 13.232 24.058 19.431
1014 HD12 ILE 61 HD12 ILE 61 13.946 23.473 20.931
1015 HD13 ILE 61 HD13 ILE 61 14.493 25.015 20.225
1016 H GLU 62 H GLU 62 17.443 23.866 22.738
1017 HA GLU 62 HA GLU 62 15.662 22.930 24.791
1018 HB2 GLU 62 HB2 GLU 62 16.900 25.706 24.468
1019 HB3 GLU 62 HB3 GLU 62 16.163 25.019 25.912
1020 HG2 GLU 62 HG2 GLU 62 18.311 24.596 26.447
1021 HG3 GLU 62 HG3 GLU 62 17.979 23.099 25.581
1022 H GLU 63 H GLU 63 13.554 23.278 25.181
1023 HA GLU 63 HA GLU 63 11.973 24.616 23.145
1024 HB2 GLU 63 HB2 GLU 63 10.084 23.713 24.219
1025 HB3 GLU 63 HB3 GLU 63 11.329 22.478 24.138
1026 HG2 GLU 63 HG2 GLU 63 11.271 22.125 26.340
1027 HG3 GLU 63 HG3 GLU 63 11.565 23.816 26.701
1028 H GLN 64 H GLN 64 13.416 25.895 25.869
1029 HA GLN 64 HA GLN 64 11.687 28.323 25.745
1030 HB2 GLN 64 HB2 GLN 64 12.801 27.114 28.303
1031 HB3 GLN 64 HB3 GLN 64 11.984 28.681 28.157
1032 HG2 GLN 64 HG2 GLN 64 9.903 27.550 27.438
1033 HG3 GLN 64 HG3 GLN 64 10.717 25.987 27.518
1034 HE21 GLN 64 HE21 GLN 64 9.444 25.024 29.100
1035 HE22 GLN 64 HE22 GLN 64 9.362 25.647 30.757
1036 H ASN 65 H ASN 65 12.739 30.145 25.424
1037 HA ASN 65 HA ASN 65 15.705 30.297 25.757
1038 HB2 ASN 65 HB2 ASN 65 14.199 30.808 23.151
1039 HB3 ASN 65 HB3 ASN 65 15.912 31.077 23.426
1040 HD21 ASN 65 HD21 ASN 65 13.519 28.687 22.672
1041 HD22 ASN 65 HD22 ASN 65 14.603 27.296 22.697
1042 H ARG 66 H ARG 66 13.466 31.571 27.198
1043 HA ARG 66 HA ARG 66 14.129 34.468 26.830
1044 HB2 ARG 66 HB2 ARG 66 11.403 33.268 27.465
1045 HB3 ARG 66 HB3 ARG 66 11.793 34.983 27.515
1046 HG2 ARG 66 HG2 ARG 66 11.888 33.294 24.980
1047 HG3 ARG 66 HG3 ARG 66 10.513 34.250 25.513
1048 HD2 ARG 66 HD2 ARG 66 11.573 35.587 23.907
1049 HD3 ARG 66 HD3 ARG 66 12.005 36.312 25.456
1050 HE ARG 66 HE ARG 66 14.006 34.415 24.664
1051 HH11 ARG 66 HH11 ARG 66 12.951 37.628 23.759
1052 HH12 ARG 66 HH12 ARG 66 14.544 38.070 23.195
1053 HH21 ARG 66 HH21 ARG 66 15.955 35.024 23.999
1054 HH22 ARG 66 HH22 ARG 66 16.236 36.625 23.350
Start of MODEL 6
1 H1 GLY -3 H1 GLY -3 25.883 9.418 -0.583
2 H2 GLY -3 H2 GLY -3 25.544 10.563 0.536
3 H3 GLY -3 H3 GLY -3 26.985 10.588 -0.262
4 HA2 GLY -3 HA2 GLY -3 25.574 12.297 -1.156
5 HA3 GLY -3 HA3 GLY -3 25.892 11.036 -2.357
6 HA PRO -2 HA PRO -2 21.253 11.645 -1.906
7 HB2 PRO -2 HB2 PRO -2 20.678 12.467 -4.442
8 HB3 PRO -2 HB3 PRO -2 21.257 13.592 -3.175
9 HG2 PRO -2 HG2 PRO -2 22.910 12.201 -5.314
10 HG3 PRO -2 HG3 PRO -2 22.883 13.946 -4.908
11 HD2 PRO -2 HD2 PRO -2 24.766 12.277 -3.910
12 HD3 PRO -2 HD3 PRO -2 24.080 13.589 -2.904
13 H GLY -1 H GLY -1 19.553 10.442 -3.024
14 HA2 GLY -1 HA2 GLY -1 18.652 8.667 -4.254
15 HA3 GLY -1 HA3 GLY -1 20.237 8.278 -4.903
16 H SER 0 H SER 0 18.926 6.165 -4.347
17 HA SER 0 HA SER 0 18.620 4.254 -3.209
18 HB2 SER 0 HB2 SER 0 21.239 4.960 -1.849
19 HB3 SER 0 HB3 SER 0 20.521 3.347 -1.962
20 HG SER 0 HG SER 0 20.762 3.390 -4.182
21 H MET 1 H MET 1 17.537 6.717 -1.918
22 HA MET 1 HA MET 1 16.717 5.639 0.717
23 HB2 MET 1 HB2 MET 1 18.075 8.335 0.314
24 HB3 MET 1 HB3 MET 1 17.198 7.873 1.771
25 HG2 MET 1 HG2 MET 1 18.742 5.975 2.117
26 HG3 MET 1 HG3 MET 1 19.678 6.482 0.711
27 HE1 MET 1 HE1 MET 1 21.191 8.484 0.530
28 HE2 MET 1 HE2 MET 1 19.893 9.634 0.899
29 HE3 MET 1 HE3 MET 1 21.439 9.718 1.780
30 H CYS 2 H CYS 2 14.955 6.992 1.659
31 HA CYS 2 HA CYS 2 13.276 8.350 -0.405
32 HB2 CYS 2 HB2 CYS 2 12.549 5.982 0.015
33 HB3 CYS 2 HB3 CYS 2 12.304 6.399 1.720
34 HG CYS 2 HG CYS 2 10.845 7.579 -1.022
35 H MET 3 H MET 3 12.231 10.155 0.189
36 HA MET 3 HA MET 3 13.132 11.484 2.655
37 HB2 MET 3 HB2 MET 3 11.974 12.352 0.012
38 HB3 MET 3 HB3 MET 3 11.737 13.398 1.395
39 HG2 MET 3 HG2 MET 3 13.777 14.028 0.208
40 HG3 MET 3 HG3 MET 3 14.099 13.524 1.854
41 HE1 MET 3 HE1 MET 3 15.038 10.939 -1.856
42 HE2 MET 3 HE2 MET 3 13.484 11.754 -1.495
43 HE3 MET 3 HE3 MET 3 14.906 12.708 -1.973
44 H ALA 4 H ALA 4 11.646 12.881 3.879
45 HA ALA 4 HA ALA 4 9.445 11.243 4.905
46 HB1 ALA 4 HB1 ALA 4 10.542 13.961 5.740
47 HB2 ALA 4 HB2 ALA 4 9.367 12.983 6.647
48 HB3 ALA 4 HB3 ALA 4 11.007 12.376 6.417
49 H LYS 5 H LYS 5 7.391 12.246 5.477
50 HA LYS 5 HA LYS 5 6.523 14.483 3.719
51 HB2 LYS 5 HB2 LYS 5 4.239 13.670 3.706
52 HB3 LYS 5 HB3 LYS 5 5.337 12.540 2.923
53 HG2 LYS 5 HG2 LYS 5 5.326 11.090 4.918
54 HG3 LYS 5 HG3 LYS 5 4.252 12.207 5.758
55 HD2 LYS 5 HD2 LYS 5 3.548 10.806 3.149
56 HD3 LYS 5 HD3 LYS 5 3.124 10.194 4.753
57 HE2 LYS 5 HE2 LYS 5 1.844 12.251 5.244
58 HE3 LYS 5 HE3 LYS 5 2.264 12.896 3.649
59 HZ1 LYS 5 HZ1 LYS 5 0.630 10.476 4.149
60 HZ2 LYS 5 HZ2 LYS 5 0.075 11.926 3.606
61 HZ3 LYS 5 HZ3 LYS 5 1.058 11.019 2.662
62 H VAL 6 H VAL 6 5.669 16.199 4.656
63 HA VAL 6 HA VAL 6 5.478 16.256 7.635
64 HB VAL 6 HB VAL 6 5.910 18.490 5.645
65 HG11 VAL 6 HG11 VAL 6 6.209 19.945 7.657
66 HG12 VAL 6 HG12 VAL 6 4.547 19.401 7.453
67 HG13 VAL 6 HG13 VAL 6 5.596 18.619 8.663
68 HG21 VAL 6 HG21 VAL 6 8.084 18.721 6.672
69 HG22 VAL 6 HG22 VAL 6 7.702 17.538 7.913
70 HG23 VAL 6 HG23 VAL 6 7.912 17.024 6.225
71 H VAL 7 H VAL 7 3.608 16.889 8.663
72 HA VAL 7 HA VAL 7 1.251 17.640 7.037
73 HB VAL 7 HB VAL 7 1.165 15.228 7.116
74 HG11 VAL 7 HG11 VAL 7 1.103 15.414 10.154
75 HG12 VAL 7 HG12 VAL 7 0.892 13.947 9.187
76 HG13 VAL 7 HG13 VAL 7 2.451 14.784 9.176
77 HG21 VAL 7 HG21 VAL 7 -0.979 16.537 7.296
78 HG22 VAL 7 HG22 VAL 7 -1.061 14.904 7.979
79 HG23 VAL 7 HG23 VAL 7 -0.930 16.303 9.054
80 H LEU 8 H LEU 8 -0.273 18.845 7.992
81 HA LEU 8 HA LEU 8 -0.212 19.490 10.862
82 HB2 LEU 8 HB2 LEU 8 0.146 21.866 10.523
83 HB3 LEU 8 HB3 LEU 8 1.476 20.948 9.866
84 HG LEU 8 HG LEU 8 -0.026 21.198 7.592
85 HD11 LEU 8 HD11 LEU 8 -0.491 23.764 9.167
86 HD12 LEU 8 HD12 LEU 8 -0.839 23.530 7.445
87 HD13 LEU 8 HD13 LEU 8 -1.765 22.632 8.651
88 HD21 LEU 8 HD21 LEU 8 1.923 23.277 8.634
89 HD22 LEU 8 HD22 LEU 8 2.339 21.767 7.793
90 HD23 LEU 8 HD23 LEU 8 1.445 23.032 6.943
91 H THR 9 H THR 9 -2.021 20.690 11.579
92 HA THR 9 HA THR 9 -4.397 20.799 9.746
93 HB THR 9 HB THR 9 -4.473 20.691 12.784
94 HG1 THR 9 HG1 THR 9 -3.705 18.733 11.977
95 HG21 THR 9 HG21 THR 9 -6.627 20.286 10.662
96 HG22 THR 9 HG22 THR 9 -6.842 20.079 12.413
97 HG23 THR 9 HG23 THR 9 -6.491 21.681 11.748
98 H LYS 10 H LYS 10 -5.251 22.713 9.320
99 HA LYS 10 HA LYS 10 -3.902 25.169 10.245
100 HB2 LYS 10 HB2 LYS 10 -6.216 24.670 8.307
101 HB3 LYS 10 HB3 LYS 10 -5.455 26.243 8.596
102 HG2 LYS 10 HG2 LYS 10 -3.244 25.192 7.874
103 HG3 LYS 10 HG3 LYS 10 -4.172 23.789 7.324
104 HD2 LYS 10 HD2 LYS 10 -4.635 26.661 6.411
105 HD3 LYS 10 HD3 LYS 10 -3.681 25.469 5.513
106 HE2 LYS 10 HE2 LYS 10 -5.535 24.139 4.970
107 HE3 LYS 10 HE3 LYS 10 -6.548 24.839 6.243
108 HZ1 LYS 10 HZ1 LYS 10 -5.630 26.365 3.873
109 HZ2 LYS 10 HZ2 LYS 10 -7.116 25.700 4.022
110 HZ3 LYS 10 HZ3 LYS 10 -6.658 26.889 5.043
111 H ALA 11 H ALA 11 -5.053 27.043 10.987
112 HA ALA 11 HA ALA 11 -7.049 26.709 13.023
113 HB1 ALA 11 HB1 ALA 11 -5.437 28.590 12.909
114 HB2 ALA 11 HB2 ALA 11 -6.232 29.183 11.428
115 HB3 ALA 11 HB3 ALA 11 -7.109 29.171 12.971
116 H ASP 12 H ASP 12 -7.337 26.963 9.549
117 HA ASP 12 HA ASP 12 -10.141 27.629 9.329
118 HB2 ASP 12 HB2 ASP 12 -8.363 25.987 7.486
119 HB3 ASP 12 HB3 ASP 12 -9.888 26.745 7.048
120 H GLY 13 H GLY 13 -8.670 24.796 10.581
121 HA2 GLY 13 HA2 GLY 13 -9.601 22.794 11.290
122 HA3 GLY 13 HA3 GLY 13 -11.120 23.160 10.464
123 H GLY 14 H GLY 14 -9.030 23.717 8.056
124 HA2 GLY 14 HA2 GLY 14 -9.177 21.075 6.809
125 HA3 GLY 14 HA3 GLY 14 -8.483 22.546 6.123
126 H ARG 15 H ARG 15 -7.128 20.301 5.643
127 HA ARG 15 HA ARG 15 -4.703 20.448 7.407
128 HB2 ARG 15 HB2 ARG 15 -6.128 17.981 6.342
129 HB3 ARG 15 HB3 ARG 15 -4.430 17.958 6.848
130 HG2 ARG 15 HG2 ARG 15 -5.021 18.791 9.057
131 HG3 ARG 15 HG3 ARG 15 -6.743 18.835 8.630
132 HD2 ARG 15 HD2 ARG 15 -6.791 16.423 8.401
133 HD3 ARG 15 HD3 ARG 15 -5.034 16.314 8.627
134 HE ARG 15 HE ARG 15 -5.619 17.549 10.900
135 HH11 ARG 15 HH11 ARG 15 -7.442 14.838 9.576
136 HH12 ARG 15 HH12 ARG 15 -8.040 14.387 11.151
137 HH21 ARG 15 HH21 ARG 15 -6.382 16.899 12.814
138 HH22 ARG 15 HH22 ARG 15 -7.459 15.528 12.944
139 H VAL 16 H VAL 16 -2.741 19.956 6.537
140 HA VAL 16 HA VAL 16 -2.461 20.131 3.571
141 HB VAL 16 HB VAL 16 -0.905 21.754 5.607
142 HG11 VAL 16 HG11 VAL 16 0.591 21.085 3.766
143 HG12 VAL 16 HG12 VAL 16 -0.615 21.619 2.575
144 HG13 VAL 16 HG13 VAL 16 0.198 22.800 3.634
145 HG21 VAL 16 HG21 VAL 16 -3.084 22.758 5.205
146 HG22 VAL 16 HG22 VAL 16 -1.844 23.717 4.401
147 HG23 VAL 16 HG23 VAL 16 -2.862 22.627 3.445
148 H GLU 17 H GLU 17 -1.023 18.771 2.719
149 HA GLU 17 HA GLU 17 0.939 17.336 4.444
150 HB2 GLU 17 HB2 GLU 17 -0.828 16.120 2.286
151 HB3 GLU 17 HB3 GLU 17 0.555 15.326 3.055
152 HG2 GLU 17 HG2 GLU 17 -0.544 15.414 5.235
153 HG3 GLU 17 HG3 GLU 17 -1.917 16.296 4.551
154 H ILE 18 H ILE 18 2.949 17.158 3.641
155 HA ILE 18 HA ILE 18 3.506 18.068 0.839
156 HB ILE 18 HB ILE 18 5.018 18.915 3.341
157 HG12 ILE 18 HG12 ILE 18 3.219 20.637 1.573
158 HG13 ILE 18 HG13 ILE 18 2.774 20.020 3.168
159 HG21 ILE 18 HG21 ILE 18 6.322 20.350 1.827
160 HG22 ILE 18 HG22 ILE 18 6.418 18.695 1.253
161 HG23 ILE 18 HG23 ILE 18 5.336 19.840 0.445
162 HD11 ILE 18 HD11 ILE 18 4.957 22.038 2.590
163 HD12 ILE 18 HD12 ILE 18 3.455 22.248 3.485
164 HD13 ILE 18 HD13 ILE 18 4.729 21.213 4.164
165 H GLY 19 H GLY 19 4.354 16.314 -0.158
166 HA2 GLY 19 HA2 GLY 19 5.998 14.317 1.291
167 HA3 GLY 19 HA3 GLY 19 5.421 14.207 -0.368
168 H ASP 20 H ASP 20 7.904 13.441 -0.042
169 HA ASP 20 HA ASP 20 10.079 13.684 -0.685
170 HB2 ASP 20 HB2 ASP 20 8.983 15.792 -2.562
171 HB3 ASP 20 HB3 ASP 20 10.482 14.907 -2.731
172 H VAL 21 H VAL 21 9.376 15.200 1.648
173 HA VAL 21 HA VAL 21 10.810 17.739 1.602
174 HB VAL 21 HB VAL 21 9.673 16.071 3.879
175 HG11 VAL 21 HG11 VAL 21 11.556 17.307 4.806
176 HG12 VAL 21 HG12 VAL 21 11.005 18.805 4.003
177 HG13 VAL 21 HG13 VAL 21 10.043 18.065 5.297
178 HG21 VAL 21 HG21 VAL 21 8.868 18.733 2.610
179 HG22 VAL 21 HG22 VAL 21 8.030 17.178 2.377
180 HG23 VAL 21 HG23 VAL 21 8.048 17.937 3.973
181 H LEU 22 H LEU 22 12.878 17.931 1.487
182 HA LEU 22 HA LEU 22 14.689 15.713 2.129
183 HB2 LEU 22 HB2 LEU 22 14.702 17.119 -0.020
184 HB3 LEU 22 HB3 LEU 22 15.292 18.459 0.957
185 HG LEU 22 HG LEU 22 17.276 17.025 1.580
186 HD11 LEU 22 HD11 LEU 22 16.115 15.134 -0.501
187 HD12 LEU 22 HD12 LEU 22 17.787 15.059 0.103
188 HD13 LEU 22 HD13 LEU 22 16.439 14.781 1.215
189 HD21 LEU 22 HD21 LEU 22 18.421 17.268 -0.553
190 HD22 LEU 22 HD22 LEU 22 16.873 17.415 -1.408
191 HD23 LEU 22 HD23 LEU 22 17.376 18.680 -0.266
192 H GLU 23 H GLU 23 13.738 18.849 3.413
193 HA GLU 23 HA GLU 23 15.124 18.292 5.946
194 HB2 GLU 23 HB2 GLU 23 16.872 19.357 4.689
195 HB3 GLU 23 HB3 GLU 23 15.816 20.678 4.191
196 HG2 GLU 23 HG2 GLU 23 15.724 21.571 6.434
197 HG3 GLU 23 HG3 GLU 23 16.530 20.145 7.090
198 H VAL 24 H VAL 24 14.270 19.396 7.715
199 HA VAL 24 HA VAL 24 12.267 21.532 7.320
200 HB VAL 24 HB VAL 24 10.879 19.593 7.325
201 HG11 VAL 24 HG11 VAL 24 12.126 18.784 9.967
202 HG12 VAL 24 HG12 VAL 24 10.683 18.057 9.214
203 HG13 VAL 24 HG13 VAL 24 12.243 17.937 8.397
204 HG21 VAL 24 HG21 VAL 24 9.355 20.080 9.131
205 HG22 VAL 24 HG22 VAL 24 10.636 20.822 10.107
206 HG23 VAL 24 HG23 VAL 24 10.070 21.616 8.630
207 H ARG 25 H ARG 25 12.154 22.986 9.006
208 HA ARG 25 HA ARG 25 13.886 22.593 11.418
209 HB2 ARG 25 HB2 ARG 25 13.826 25.080 9.646
210 HB3 ARG 25 HB3 ARG 25 14.696 24.895 11.177
211 HG2 ARG 25 HG2 ARG 25 16.094 23.106 10.161
212 HG3 ARG 25 HG3 ARG 25 15.248 23.351 8.607
213 HD2 ARG 25 HD2 ARG 25 15.979 25.755 8.645
214 HD3 ARG 25 HD3 ARG 25 16.943 25.394 10.096
215 HE ARG 25 HE ARG 25 17.587 23.560 7.949
216 HH11 ARG 25 HH11 ARG 25 18.246 26.879 8.867
217 HH12 ARG 25 HH12 ARG 25 19.718 26.910 7.931
218 HH21 ARG 25 HH21 ARG 25 19.352 23.637 6.859
219 HH22 ARG 25 HH22 ARG 25 20.358 25.083 6.780
220 H ALA 26 H ALA 26 13.203 23.496 13.244
221 HA ALA 26 HA ALA 26 10.659 25.031 13.352
222 HB1 ALA 26 HB1 ALA 26 10.988 23.230 15.004
223 HB2 ALA 26 HB2 ALA 26 12.481 24.023 15.566
224 HB3 ALA 26 HB3 ALA 26 10.908 24.827 15.772
225 H GLU 27 H GLU 27 10.944 27.022 12.711
226 HA GLU 27 HA GLU 27 13.432 28.580 13.081
227 HB2 GLU 27 HB2 GLU 27 11.645 28.425 11.013
228 HB3 GLU 27 HB3 GLU 27 10.981 29.801 11.899
229 HG2 GLU 27 HG2 GLU 27 13.279 30.847 11.813
230 HG3 GLU 27 HG3 GLU 27 13.851 29.446 10.909
231 H GLY 28 H GLY 28 12.740 31.082 13.590
232 HA2 GLY 28 HA2 GLY 28 11.950 31.235 16.365
233 HA3 GLY 28 HA3 GLY 28 12.260 32.576 15.272
234 H GLY 29 H GLY 29 9.858 30.169 16.215
235 HA2 GLY 29 HA2 GLY 29 7.602 30.523 16.768
236 HA3 GLY 29 HA3 GLY 29 7.637 32.115 16.004
237 H ALA 30 H ALA 30 8.819 29.331 14.184
238 HA ALA 30 HA ALA 30 6.253 28.763 12.879
239 HB1 ALA 30 HB1 ALA 30 8.591 29.936 11.276
240 HB2 ALA 30 HB2 ALA 30 7.050 29.368 10.616
241 HB3 ALA 30 HB3 ALA 30 7.085 30.803 11.651
242 H VAL 31 H VAL 31 6.397 26.967 11.389
243 HA VAL 31 HA VAL 31 8.968 25.400 11.490
244 HB VAL 31 HB VAL 31 6.195 24.432 10.760
245 HG11 VAL 31 HG11 VAL 31 7.338 22.194 10.498
246 HG12 VAL 31 HG12 VAL 31 7.755 23.321 9.209
247 HG13 VAL 31 HG13 VAL 31 8.901 23.012 10.540
248 HG21 VAL 31 HG21 VAL 31 6.795 24.585 13.182
249 HG22 VAL 31 HG22 VAL 31 6.581 22.913 12.670
250 HG23 VAL 31 HG23 VAL 31 8.216 23.565 12.894
251 H ARG 32 H ARG 32 10.024 24.962 9.619
252 HA ARG 32 HA ARG 32 9.029 26.119 7.033
253 HB2 ARG 32 HB2 ARG 32 10.470 27.736 8.283
254 HB3 ARG 32 HB3 ARG 32 11.779 26.563 8.255
255 HG2 ARG 32 HG2 ARG 32 11.817 26.647 5.765
256 HG3 ARG 32 HG3 ARG 32 10.450 27.792 5.801
257 HD2 ARG 32 HD2 ARG 32 11.751 29.440 6.985
258 HD3 ARG 32 HD3 ARG 32 13.086 28.301 7.225
259 HE ARG 32 HE ARG 32 12.784 28.469 4.442
260 HH11 ARG 32 HH11 ARG 32 13.599 30.761 7.009
261 HH12 ARG 32 HH12 ARG 32 14.548 31.732 5.907
262 HH21 ARG 32 HH21 ARG 32 13.929 29.655 3.199
263 HH22 ARG 32 HH22 ARG 32 14.741 31.133 3.718
264 H VAL 33 H VAL 33 9.353 24.842 5.321
265 HA VAL 33 HA VAL 33 11.039 22.373 5.637
266 HB VAL 33 HB VAL 33 9.475 21.157 4.228
267 HG11 VAL 33 HG11 VAL 33 9.138 20.973 6.618
268 HG12 VAL 33 HG12 VAL 33 8.097 22.417 6.643
269 HG13 VAL 33 HG13 VAL 33 7.577 20.946 5.791
270 HG21 VAL 33 HG21 VAL 33 7.235 22.005 3.717
271 HG22 VAL 33 HG22 VAL 33 7.653 23.582 4.412
272 HG23 VAL 33 HG23 VAL 33 8.467 23.004 2.930
273 H THR 34 H THR 34 12.071 21.537 3.864
274 HA THR 34 HA THR 34 12.188 23.179 1.362
275 HB THR 34 HB THR 34 14.573 21.917 2.759
276 HG1 THR 34 HG1 THR 34 13.906 23.828 3.752
277 HG21 THR 34 HG21 THR 34 14.344 23.563 0.204
278 HG22 THR 34 HG22 THR 34 15.875 23.207 1.021
279 HG23 THR 34 HG23 THR 34 14.908 21.883 0.360
280 H THR 35 H THR 35 11.589 21.974 -0.317
281 HA THR 35 HA THR 35 11.632 19.015 -0.203
282 HB THR 35 HB THR 35 10.524 19.051 -2.329
283 HG1 THR 35 HG1 THR 35 10.714 21.861 -2.237
284 HG21 THR 35 HG21 THR 35 9.253 21.170 -0.557
285 HG22 THR 35 HG22 THR 35 8.454 20.201 -1.815
286 HG23 THR 35 HG23 THR 35 9.084 19.409 -0.355
287 H LEU 36 H LEU 36 12.621 17.742 -1.919
288 HA LEU 36 HA LEU 36 15.283 18.561 -2.670
289 HB2 LEU 36 HB2 LEU 36 15.379 16.446 -3.871
290 HB3 LEU 36 HB3 LEU 36 14.723 16.290 -2.252
291 HG LEU 36 HG LEU 36 12.358 16.379 -3.454
292 HD11 LEU 36 HD11 LEU 36 14.173 15.389 -5.708
293 HD12 LEU 36 HD12 LEU 36 12.404 15.239 -5.650
294 HD13 LEU 36 HD13 LEU 36 13.145 16.830 -5.755
295 HD21 LEU 36 HD21 LEU 36 14.234 14.002 -3.615
296 HD22 LEU 36 HD22 LEU 36 13.302 14.520 -2.176
297 HD23 LEU 36 HD23 LEU 36 12.455 13.931 -3.623
298 H PHE 37 H PHE 37 12.328 19.499 -4.069
299 HA PHE 37 HA PHE 37 13.400 20.016 -6.755
300 HB2 PHE 37 HB2 PHE 37 10.828 21.006 -5.487
301 HB3 PHE 37 HB3 PHE 37 11.233 20.980 -7.199
302 HD1 PHE 37 HD1 PHE 37 9.613 19.183 -4.556
303 HD2 PHE 37 HD2 PHE 37 11.724 18.637 -8.279
304 HE1 PHE 37 HE1 PHE 37 8.639 16.915 -4.776
305 HE2 PHE 37 HE2 PHE 37 10.707 16.376 -8.511
306 HZ PHE 37 HZ PHE 37 9.181 15.509 -6.749
307 H ASP 38 H ASP 38 14.141 21.358 -3.899
308 HA ASP 38 HA ASP 38 14.941 23.256 -3.074
309 HB2 ASP 38 HB2 ASP 38 15.145 24.378 -5.871
310 HB3 ASP 38 HB3 ASP 38 15.967 24.955 -4.439
311 H GLU 39 H GLU 39 11.950 22.981 -3.930
312 HA GLU 39 HA GLU 39 11.059 25.764 -3.560
313 HB2 GLU 39 HB2 GLU 39 9.750 24.363 -5.071
314 HB3 GLU 39 HB3 GLU 39 9.552 23.147 -3.812
315 HG2 GLU 39 HG2 GLU 39 7.503 24.272 -4.017
316 HG3 GLU 39 HG3 GLU 39 8.189 24.759 -2.479
317 H GLU 40 H GLU 40 10.141 26.587 -1.721
318 HA GLU 40 HA GLU 40 10.352 24.989 0.794
319 HB2 GLU 40 HB2 GLU 40 11.087 27.911 0.377
320 HB3 GLU 40 HB3 GLU 40 10.935 27.106 1.948
321 HG2 GLU 40 HG2 GLU 40 12.747 25.530 1.305
322 HG3 GLU 40 HG3 GLU 40 12.918 26.347 -0.243
323 H HIS 41 H HIS 41 8.966 25.487 2.455
324 HA HIS 41 HA HIS 41 6.763 27.423 2.033
325 HB2 HIS 41 HB2 HIS 41 6.192 24.578 2.925
326 HB3 HIS 41 HB3 HIS 41 5.032 25.878 2.745
327 HD2 HIS 41 HD2 HIS 41 6.777 23.134 0.820
328 HE1 HIS 41 HE1 HIS 41 4.502 25.262 -2.098
329 HE2 HIS 41 HE2 HIS 41 5.879 23.164 -1.662
330 H ALA 42 H ALA 42 5.790 28.130 4.028
331 HA ALA 42 HA ALA 42 7.136 27.316 6.527
332 HB1 ALA 42 HB1 ALA 42 8.465 29.192 5.607
333 HB2 ALA 42 HB2 ALA 42 7.001 30.211 5.565
334 HB3 ALA 42 HB3 ALA 42 7.650 29.634 7.117
335 H PHE 43 H PHE 43 6.014 27.612 8.364
336 HA PHE 43 HA PHE 43 3.135 28.415 8.206
337 HB2 PHE 43 HB2 PHE 43 4.241 25.806 9.282
338 HB3 PHE 43 HB3 PHE 43 2.557 26.333 9.319
339 HD1 PHE 43 HD1 PHE 43 5.180 24.798 7.325
340 HD2 PHE 43 HD2 PHE 43 1.297 26.658 7.136
341 HE1 PHE 43 HE1 PHE 43 4.866 23.910 5.022
342 HE2 PHE 43 HE2 PHE 43 0.975 25.760 4.839
343 HZ PHE 43 HZ PHE 43 2.756 24.410 3.774
344 HA PRO 44 HA PRO 44 4.914 30.397 11.955
345 HB2 PRO 44 HB2 PRO 44 2.486 32.092 11.440
346 HB3 PRO 44 HB3 PRO 44 4.124 32.592 11.972
347 HG2 PRO 44 HG2 PRO 44 3.384 32.929 9.392
348 HG3 PRO 44 HG3 PRO 44 5.006 32.263 9.763
349 HD2 PRO 44 HD2 PRO 44 2.479 30.745 9.020
350 HD3 PRO 44 HD3 PRO 44 4.127 30.576 8.351
351 H GLY 45 H GLY 45 4.341 30.274 14.061
352 HA2 GLY 45 HA2 GLY 45 3.046 29.918 15.966
353 HA3 GLY 45 HA3 GLY 45 1.617 29.638 14.963
354 H LEU 46 H LEU 46 4.096 27.664 13.788
355 HA LEU 46 HA LEU 46 3.204 25.343 15.421
356 HB2 LEU 46 HB2 LEU 46 4.359 25.351 12.616
357 HB3 LEU 46 HB3 LEU 46 3.826 23.945 13.514
358 HG LEU 46 HG LEU 46 2.056 26.179 12.456
359 HD11 LEU 46 HD11 LEU 46 2.145 23.191 11.823
360 HD12 LEU 46 HD12 LEU 46 1.159 24.447 11.019
361 HD13 LEU 46 HD13 LEU 46 2.918 24.451 10.848
362 HD21 LEU 46 HD21 LEU 46 1.074 25.441 14.558
363 HD22 LEU 46 HD22 LEU 46 0.151 24.751 13.222
364 HD23 LEU 46 HD23 LEU 46 1.306 23.725 14.114
365 H ALA 47 H ALA 47 4.677 23.640 15.758
366 HA ALA 47 HA ALA 47 7.571 24.055 15.417
367 HB1 ALA 47 HB1 ALA 47 8.042 23.262 17.706
368 HB2 ALA 47 HB2 ALA 47 7.139 24.789 17.718
369 HB3 ALA 47 HB3 ALA 47 6.301 23.253 18.070
370 H ILE 48 H ILE 48 8.749 21.951 15.508
371 HA ILE 48 HA ILE 48 7.263 19.820 14.208
372 HB ILE 48 HB ILE 48 10.072 19.787 15.358
373 HG12 ILE 48 HG12 ILE 48 9.392 19.992 12.395
374 HG13 ILE 48 HG13 ILE 48 9.578 21.435 13.383
375 HG21 ILE 48 HG21 ILE 48 10.350 17.785 13.822
376 HG22 ILE 48 HG22 ILE 48 9.193 17.499 15.110
377 HG23 ILE 48 HG23 ILE 48 8.618 17.857 13.466
378 HD11 ILE 48 HD11 ILE 48 11.867 20.743 14.020
379 HD12 ILE 48 HD12 ILE 48 11.729 19.337 12.941
380 HD13 ILE 48 HD13 ILE 48 11.679 20.970 12.271
381 H GLY 49 H GLY 49 5.989 18.359 15.202
382 HA2 GLY 49 HA2 GLY 49 5.952 18.286 18.163
383 HA3 GLY 49 HA3 GLY 49 4.681 17.774 17.055
384 H ARG 50 H ARG 50 5.873 15.928 15.443
385 HA ARG 50 HA ARG 50 7.122 13.828 17.118
386 HB2 ARG 50 HB2 ARG 50 4.786 13.620 17.708
387 HB3 ARG 50 HB3 ARG 50 4.289 13.713 16.027
388 HG2 ARG 50 HG2 ARG 50 5.244 11.509 15.536
389 HG3 ARG 50 HG3 ARG 50 5.903 11.397 17.180
390 HD2 ARG 50 HD2 ARG 50 3.604 11.530 18.108
391 HD3 ARG 50 HD3 ARG 50 2.931 11.664 16.494
392 HE ARG 50 HE ARG 50 4.039 9.254 17.804
393 HH11 ARG 50 HH11 ARG 50 3.849 7.265 16.838
394 HH12 ARG 50 HH12 ARG 50 3.360 7.184 15.152
395 HH21 ARG 50 HH21 ARG 50 2.810 10.507 14.733
396 HH22 ARG 50 HH22 ARG 50 2.692 8.886 14.074
397 H VAL 51 H VAL 51 8.280 12.348 15.967
398 HA VAL 51 HA VAL 51 7.871 12.271 13.002
399 HB VAL 51 HB VAL 51 10.547 11.805 14.325
400 HG11 VAL 51 HG11 VAL 51 10.296 10.613 12.234
401 HG12 VAL 51 HG12 VAL 51 9.683 12.050 11.422
402 HG13 VAL 51 HG13 VAL 51 11.370 11.986 11.979
403 HG21 VAL 51 HG21 VAL 51 11.248 13.964 13.311
404 HG22 VAL 51 HG22 VAL 51 9.544 14.299 12.886
405 HG23 VAL 51 HG23 VAL 51 10.048 14.182 14.579
406 H ASP 52 H ASP 52 7.478 10.315 12.171
407 HA ASP 52 HA ASP 52 7.675 7.890 13.929
408 HB2 ASP 52 HB2 ASP 52 5.431 8.893 13.912
409 HB3 ASP 52 HB3 ASP 52 5.348 8.735 12.151
410 H LEU 53 H LEU 53 9.397 6.963 12.973
411 HA LEU 53 HA LEU 53 9.974 7.228 10.153
412 HB2 LEU 53 HB2 LEU 53 11.281 5.550 12.339
413 HB3 LEU 53 HB3 LEU 53 11.917 5.797 10.725
414 HG LEU 53 HG LEU 53 13.166 7.144 12.152
415 HD11 LEU 53 HD11 LEU 53 12.883 9.380 11.243
416 HD12 LEU 53 HD12 LEU 53 12.586 8.167 9.980
417 HD13 LEU 53 HD13 LEU 53 11.229 9.019 10.739
418 HD21 LEU 53 HD21 LEU 53 11.585 7.328 14.049
419 HD22 LEU 53 HD22 LEU 53 12.422 8.836 13.639
420 HD23 LEU 53 HD23 LEU 53 10.729 8.615 13.176
421 H ARG 54 H ARG 54 8.123 4.910 11.843
422 HA ARG 54 HA ARG 54 8.438 2.631 10.060
423 HB2 ARG 54 HB2 ARG 54 6.149 3.510 11.858
424 HB3 ARG 54 HB3 ARG 54 6.232 1.942 11.087
425 HG2 ARG 54 HG2 ARG 54 8.120 1.228 12.357
426 HG3 ARG 54 HG3 ARG 54 8.475 2.858 12.938
427 HD2 ARG 54 HD2 ARG 54 5.995 1.270 13.697
428 HD3 ARG 54 HD3 ARG 54 7.451 1.480 14.692
429 HE ARG 54 HE ARG 54 6.236 3.997 13.770
430 HH11 ARG 54 HH11 ARG 54 6.251 1.786 16.542
431 HH12 ARG 54 HH12 ARG 54 5.609 3.053 17.562
432 HH21 ARG 54 HH21 ARG 54 5.501 5.360 14.998
433 HH22 ARG 54 HH22 ARG 54 5.271 5.139 16.733
434 H SER 55 H SER 55 6.649 5.624 9.849
435 HA SER 55 HA SER 55 5.481 4.794 7.213
436 HB2 SER 55 HB2 SER 55 4.322 6.728 9.246
437 HB3 SER 55 HB3 SER 55 3.616 6.331 7.667
438 HG SER 55 HG SER 55 2.662 5.117 9.381
439 H GLY 56 H GLY 56 7.711 6.903 8.667
440 HA2 GLY 56 HA2 GLY 56 9.067 8.523 7.757
441 HA3 GLY 56 HA3 GLY 56 8.244 8.344 6.202
442 H VAL 57 H VAL 57 6.419 9.067 9.129
443 HA VAL 57 HA VAL 57 5.497 11.596 7.874
444 HB VAL 57 HB VAL 57 4.320 9.960 10.132
445 HG11 VAL 57 HG11 VAL 57 3.232 12.445 8.733
446 HG12 VAL 57 HG12 VAL 57 2.302 11.393 9.825
447 HG13 VAL 57 HG13 VAL 57 3.676 12.298 10.453
448 HG21 VAL 57 HG21 VAL 57 3.360 10.393 7.264
449 HG22 VAL 57 HG22 VAL 57 4.116 8.896 7.872
450 HG23 VAL 57 HG23 VAL 57 2.554 9.422 8.507
451 H ILE 58 H ILE 58 5.784 13.538 8.668
452 HA ILE 58 HA ILE 58 6.956 13.988 11.385
453 HB ILE 58 HB ILE 58 7.357 15.475 8.781
454 HG12 ILE 58 HG12 ILE 58 9.334 14.086 10.631
455 HG13 ILE 58 HG13 ILE 58 8.740 13.441 9.107
456 HG21 ILE 58 HG21 ILE 58 8.255 16.280 11.592
457 HG22 ILE 58 HG22 ILE 58 8.767 17.083 10.090
458 HG23 ILE 58 HG23 ILE 58 7.090 17.153 10.569
459 HD11 ILE 58 HD11 ILE 58 10.578 15.810 9.492
460 HD12 ILE 58 HD12 ILE 58 10.901 14.270 8.683
461 HD13 ILE 58 HD13 ILE 58 9.778 15.438 7.940
462 H SER 59 H SER 59 5.231 14.404 12.624
463 HA SER 59 HA SER 59 2.926 15.990 11.595
464 HB2 SER 59 HB2 SER 59 3.278 14.610 14.274
465 HB3 SER 59 HB3 SER 59 1.811 15.392 13.669
466 HG SER 59 HG SER 59 1.646 13.210 13.292
467 H LEU 60 H LEU 60 2.697 18.090 11.987
468 HA LEU 60 HA LEU 60 4.497 19.444 13.933
469 HB2 LEU 60 HB2 LEU 60 2.549 20.686 11.970
470 HB3 LEU 60 HB3 LEU 60 3.851 21.481 12.872
471 HG LEU 60 HG LEU 60 4.132 19.520 10.552
472 HD11 LEU 60 HD11 LEU 60 5.205 21.440 9.459
473 HD12 LEU 60 HD12 LEU 60 3.568 21.834 9.965
474 HD13 LEU 60 HD13 LEU 60 4.931 22.426 10.909
475 HD21 LEU 60 HD21 LEU 60 6.585 19.895 10.730
476 HD22 LEU 60 HD22 LEU 60 6.331 20.717 12.287
477 HD23 LEU 60 HD23 LEU 60 5.949 18.998 12.103
478 H ILE 61 H ILE 61 3.740 20.943 15.451
479 HA ILE 61 HA ILE 61 0.900 20.773 16.320
480 HB ILE 61 HB ILE 61 1.586 20.547 18.680
481 HG12 ILE 61 HG12 ILE 61 3.892 19.346 19.015
482 HG13 ILE 61 HG13 ILE 61 4.393 20.200 17.567
483 HG21 ILE 61 HG21 ILE 61 2.449 18.206 16.947
484 HG22 ILE 61 HG22 ILE 61 1.907 18.152 18.642
485 HG23 ILE 61 HG23 ILE 61 0.777 18.639 17.373
486 HD11 ILE 61 HD11 ILE 61 3.288 21.491 20.105
487 HD12 ILE 61 HD12 ILE 61 5.004 21.323 19.697
488 HD13 ILE 61 HD13 ILE 61 3.971 22.353 18.712
489 H GLU 62 H GLU 62 0.310 22.532 17.866
490 HA GLU 62 HA GLU 62 1.364 25.069 16.919
491 HB2 GLU 62 HB2 GLU 62 -0.630 24.439 19.133
492 HB3 GLU 62 HB3 GLU 62 -0.204 26.062 18.550
493 HG2 GLU 62 HG2 GLU 62 -0.993 25.475 16.276
494 HG3 GLU 62 HG3 GLU 62 -1.431 23.860 16.841
495 H GLU 63 H GLU 63 2.776 26.452 17.832
496 HA GLU 63 HA GLU 63 4.505 25.452 19.952
497 HB2 GLU 63 HB2 GLU 63 5.915 27.279 19.444
498 HB3 GLU 63 HB3 GLU 63 5.275 26.656 17.953
499 HG2 GLU 63 HG2 GLU 63 5.018 28.837 17.462
500 HG3 GLU 63 HG3 GLU 63 3.464 28.594 18.234
501 H GLN 64 H GLN 64 1.706 27.454 19.969
502 HA GLN 64 HA GLN 64 2.082 28.178 22.838
503 HB2 GLN 64 HB2 GLN 64 0.126 29.141 20.742
504 HB3 GLN 64 HB3 GLN 64 -0.060 29.495 22.468
505 HG2 GLN 64 HG2 GLN 64 1.878 30.831 22.549
506 HG3 GLN 64 HG3 GLN 64 2.550 30.139 21.094
507 HE21 GLN 64 HE21 GLN 64 2.719 31.748 19.586
508 HE22 GLN 64 HE22 GLN 64 1.417 32.892 19.222
509 H ASN 65 H ASN 65 0.834 27.228 24.392
510 HA ASN 65 HA ASN 65 -1.105 25.114 23.572
511 HB2 ASN 65 HB2 ASN 65 1.027 24.961 25.728
512 HB3 ASN 65 HB3 ASN 65 -0.196 23.731 25.407
513 HD21 ASN 65 HD21 ASN 65 0.333 24.371 22.314
514 HD22 ASN 65 HD22 ASN 65 1.776 23.427 22.039
515 H ARG 66 H ARG 66 -1.277 28.005 24.863
516 HA ARG 66 HA ARG 66 -3.675 27.402 26.412
517 HB2 ARG 66 HB2 ARG 66 -3.047 28.614 28.407
518 HB3 ARG 66 HB3 ARG 66 -1.992 27.230 28.179
519 HG2 ARG 66 HG2 ARG 66 -0.209 28.729 27.294
520 HG3 ARG 66 HG3 ARG 66 -1.257 30.133 27.550
521 HD2 ARG 66 HD2 ARG 66 -0.320 28.225 29.724
522 HD3 ARG 66 HD3 ARG 66 0.424 29.784 29.358
523 HE ARG 66 HE ARG 66 -2.263 30.377 29.803
524 HH11 ARG 66 HH11 ARG 66 0.303 29.014 31.772
525 HH12 ARG 66 HH12 ARG 66 -0.439 29.554 33.250
526 HH21 ARG 66 HH21 ARG 66 -2.342 30.647 33.221
527 HH22 ARG 66 HH22 ARG 66 -3.136 31.022 31.718
528 H1 GLY -3 H1 GLY -3 19.815 -13.534 13.243
529 H2 GLY -3 H2 GLY -3 19.837 -11.982 12.726
530 H3 GLY -3 H3 GLY -3 18.416 -12.683 13.146
531 HA2 GLY -3 HA2 GLY -3 19.133 -12.876 15.440
532 HA3 GLY -3 HA3 GLY -3 20.644 -12.084 14.982
533 HA PRO -2 HA PRO -2 17.450 -8.866 16.325
534 HB2 PRO -2 HB2 PRO -2 18.741 -7.902 18.535
535 HB3 PRO -2 HB3 PRO -2 17.688 -9.343 18.586
536 HG2 PRO -2 HG2 PRO -2 20.708 -9.258 18.323
537 HG3 PRO -2 HG3 PRO -2 19.720 -10.218 19.470
538 HD2 PRO -2 HD2 PRO -2 20.650 -11.287 17.145
539 HD3 PRO -2 HD3 PRO -2 19.027 -11.710 17.756
540 H GLY -1 H GLY -1 17.779 -6.512 16.425
541 HA2 GLY -1 HA2 GLY -1 18.780 -4.506 15.863
542 HA3 GLY -1 HA3 GLY -1 20.341 -5.315 15.742
543 H SER 0 H SER 0 17.789 -6.628 13.784
544 HA SER 0 HA SER 0 19.060 -5.922 11.282
545 HB2 SER 0 HB2 SER 0 17.788 -8.020 11.665
546 HB3 SER 0 HB3 SER 0 16.294 -7.075 11.797
547 HG SER 0 HG SER 0 16.624 -7.933 9.684
548 H MET 1 H MET 1 18.171 -4.715 9.589
549 HA MET 1 HA MET 1 17.734 -2.763 8.647
550 HB2 MET 1 HB2 MET 1 15.529 -2.059 8.467
551 HB3 MET 1 HB3 MET 1 15.485 -3.794 8.679
552 HG2 MET 1 HG2 MET 1 14.636 -3.605 10.897
553 HG3 MET 1 HG3 MET 1 15.057 -1.892 11.004
554 HE1 MET 1 HE1 MET 1 11.491 -3.653 8.604
555 HE2 MET 1 HE2 MET 1 13.166 -3.905 8.072
556 HE3 MET 1 HE3 MET 1 12.611 -4.600 9.613
557 H CYS 2 H CYS 2 16.861 -0.410 8.894
558 HA CYS 2 HA CYS 2 17.752 0.909 11.370
559 HB2 CYS 2 HB2 CYS 2 19.839 0.445 10.088
560 HB3 CYS 2 HB3 CYS 2 19.165 1.301 8.686
561 HG CYS 2 HG CYS 2 19.859 2.406 11.736
562 H MET 3 H MET 3 17.149 3.112 11.472
563 HA MET 3 HA MET 3 15.122 4.042 9.470
564 HB2 MET 3 HB2 MET 3 14.842 3.917 12.486
565 HB3 MET 3 HB3 MET 3 13.855 4.935 11.448
566 HG2 MET 3 HG2 MET 3 12.511 3.093 11.738
567 HG3 MET 3 HG3 MET 3 13.198 2.857 10.144
568 HE1 MET 3 HE1 MET 3 15.252 1.818 13.631
569 HE2 MET 3 HE2 MET 3 13.535 2.195 13.876
570 HE3 MET 3 HE3 MET 3 14.092 0.523 14.014
571 H ALA 4 H ALA 4 16.143 5.605 12.518
572 HA ALA 4 HA ALA 4 17.669 7.680 11.081
573 HB1 ALA 4 HB1 ALA 4 15.120 8.299 12.643
574 HB2 ALA 4 HB2 ALA 4 16.220 9.489 11.916
575 HB3 ALA 4 HB3 ALA 4 15.302 8.388 10.873
576 H LYS 5 H LYS 5 18.721 9.171 12.486
577 HA LYS 5 HA LYS 5 19.274 8.167 15.254
578 HB2 LYS 5 HB2 LYS 5 21.217 8.296 13.754
579 HB3 LYS 5 HB3 LYS 5 20.893 10.011 13.454
580 HG2 LYS 5 HG2 LYS 5 21.300 10.523 15.848
581 HG3 LYS 5 HG3 LYS 5 21.521 8.805 16.184
582 HD2 LYS 5 HD2 LYS 5 23.664 9.872 16.077
583 HD3 LYS 5 HD3 LYS 5 23.521 8.762 14.707
584 HE2 LYS 5 HE2 LYS 5 23.024 10.663 13.209
585 HE3 LYS 5 HE3 LYS 5 23.028 11.775 14.585
586 HZ1 LYS 5 HZ1 LYS 5 25.383 10.230 13.664
587 HZ2 LYS 5 HZ2 LYS 5 25.156 11.830 13.434
588 HZ3 LYS 5 HZ3 LYS 5 25.370 11.246 14.955
589 H VAL 6 H VAL 6 18.734 9.352 16.964
590 HA VAL 6 HA VAL 6 17.851 12.205 16.666
591 HB VAL 6 HB VAL 6 17.179 10.063 18.649
592 HG11 VAL 6 HG11 VAL 6 16.113 11.754 20.124
593 HG12 VAL 6 HG12 VAL 6 17.878 11.838 20.148
594 HG13 VAL 6 HG13 VAL 6 16.943 13.029 19.212
595 HG21 VAL 6 HG21 VAL 6 14.912 10.798 18.227
596 HG22 VAL 6 HG22 VAL 6 15.488 12.211 17.331
597 HG23 VAL 6 HG23 VAL 6 15.718 10.579 16.663
598 H VAL 7 H VAL 7 19.038 13.810 17.611
599 HA VAL 7 HA VAL 7 21.281 13.114 19.418
600 HB VAL 7 HB VAL 7 22.277 13.096 17.242
601 HG11 VAL 7 HG11 VAL 7 22.422 15.080 15.793
602 HG12 VAL 7 HG12 VAL 7 20.750 14.526 15.945
603 HG13 VAL 7 HG13 VAL 7 21.295 15.958 16.848
604 HG21 VAL 7 HG21 VAL 7 23.091 15.704 18.600
605 HG22 VAL 7 HG22 VAL 7 23.563 14.080 19.146
606 HG23 VAL 7 HG23 VAL 7 24.073 14.659 17.552
607 H LEU 8 H LEU 8 21.848 14.568 20.919
608 HA LEU 8 HA LEU 8 20.602 17.252 20.979
609 HB2 LEU 8 HB2 LEU 8 19.653 16.965 23.178
610 HB3 LEU 8 HB3 LEU 8 19.028 15.758 22.093
611 HG LEU 8 HG LEU 8 21.052 14.294 23.150
612 HD11 LEU 8 HD11 LEU 8 21.092 14.673 25.605
613 HD12 LEU 8 HD12 LEU 8 21.787 16.047 24.749
614 HD13 LEU 8 HD13 LEU 8 20.144 16.156 25.404
615 HD21 LEU 8 HD21 LEU 8 19.395 13.292 24.652
616 HD22 LEU 8 HD22 LEU 8 18.319 14.688 24.422
617 HD23 LEU 8 HD23 LEU 8 18.702 13.608 23.055
618 H THR 9 H THR 9 21.527 18.714 22.512
619 HA THR 9 HA THR 9 24.292 18.032 23.417
620 HB THR 9 HB THR 9 23.195 20.825 22.957
621 HG1 THR 9 HG1 THR 9 23.276 19.742 21.006
622 HG21 THR 9 HG21 THR 9 25.188 20.707 24.440
623 HG22 THR 9 HG22 THR 9 26.031 19.732 23.224
624 HG23 THR 9 HG23 THR 9 25.599 21.418 22.874
625 H LYS 10 H LYS 10 24.778 18.107 25.489
626 HA LYS 10 HA LYS 10 22.682 18.399 27.538
627 HB2 LYS 10 HB2 LYS 10 25.632 17.660 27.636
628 HB3 LYS 10 HB3 LYS 10 24.567 17.665 29.043
629 HG2 LYS 10 HG2 LYS 10 23.132 15.956 27.928
630 HG3 LYS 10 HG3 LYS 10 24.318 15.845 26.616
631 HD2 LYS 10 HD2 LYS 10 24.961 15.394 29.572
632 HD3 LYS 10 HD3 LYS 10 24.550 14.081 28.460
633 HE2 LYS 10 HE2 LYS 10 26.525 14.339 27.185
634 HE3 LYS 10 HE3 LYS 10 26.802 15.984 27.766
635 HZ1 LYS 10 HZ1 LYS 10 28.281 14.329 28.799
636 HZ2 LYS 10 HZ2 LYS 10 27.433 15.198 29.887
637 HZ3 LYS 10 HZ3 LYS 10 27.010 13.635 29.546
638 H ALA 11 H ALA 11 23.061 19.601 29.510
639 HA ALA 11 HA ALA 11 23.791 22.351 29.140
640 HB1 ALA 11 HB1 ALA 11 22.093 21.589 30.732
641 HB2 ALA 11 HB2 ALA 11 23.334 20.726 31.678
642 HB3 ALA 11 HB3 ALA 11 23.361 22.505 31.563
643 H ASP 12 H ASP 12 25.748 19.580 30.120
644 HA ASP 12 HA ASP 12 27.971 21.192 31.123
645 HB2 ASP 12 HB2 ASP 12 29.091 19.111 31.469
646 HB3 ASP 12 HB3 ASP 12 27.441 19.008 32.090
647 H GLY 13 H GLY 13 26.874 20.828 28.031
648 HA2 GLY 13 HA2 GLY 13 27.877 21.664 26.091
649 HA3 GLY 13 HA3 GLY 13 29.468 21.582 26.843
650 H GLY 14 H GLY 14 28.320 18.557 27.457
651 HA2 GLY 14 HA2 GLY 14 29.602 17.267 25.158
652 HA3 GLY 14 HA3 GLY 14 28.812 16.482 26.516
653 H ARG 15 H ARG 15 28.335 15.325 24.195
654 HA ARG 15 HA ARG 15 25.494 16.004 23.530
655 HB2 ARG 15 HB2 ARG 15 27.765 15.458 21.587
656 HB3 ARG 15 HB3 ARG 15 26.074 15.175 21.145
657 HG2 ARG 15 HG2 ARG 15 25.499 17.488 21.699
658 HG3 ARG 15 HG3 ARG 15 27.191 17.843 22.113
659 HD2 ARG 15 HD2 ARG 15 27.887 17.520 19.836
660 HD3 ARG 15 HD3 ARG 15 26.282 16.885 19.368
661 HE ARG 15 HE ARG 15 25.652 19.329 20.407
662 HH11 ARG 15 HH11 ARG 15 27.859 18.454 17.812
663 HH12 ARG 15 HH12 ARG 15 27.606 19.975 16.989
664 HH21 ARG 15 HH21 ARG 15 25.405 21.192 19.354
665 HH22 ARG 15 HH22 ARG 15 26.252 21.508 17.858
666 H VAL 16 H VAL 16 24.179 14.390 22.837
667 HA VAL 16 HA VAL 16 24.964 11.571 23.470
668 HB VAL 16 HB VAL 16 22.436 13.002 24.370
669 HG11 VAL 16 HG11 VAL 16 21.841 10.881 25.492
670 HG12 VAL 16 HG12 VAL 16 21.846 10.707 23.743
671 HG13 VAL 16 HG13 VAL 16 23.215 10.082 24.694
672 HG21 VAL 16 HG21 VAL 16 23.202 12.465 26.650
673 HG22 VAL 16 HG22 VAL 16 24.697 11.765 25.988
674 HG23 VAL 16 HG23 VAL 16 24.365 13.499 25.811
675 H GLU 17 H GLU 17 24.164 10.059 22.124
676 HA GLU 17 HA GLU 17 22.402 10.892 19.860
677 HB2 GLU 17 HB2 GLU 17 25.001 9.310 19.728
678 HB3 GLU 17 HB3 GLU 17 23.831 9.411 18.407
679 HG2 GLU 17 HG2 GLU 17 24.100 11.843 18.308
680 HG3 GLU 17 HG3 GLU 17 25.275 11.805 19.628
681 H ILE 18 H ILE 18 20.925 9.443 19.190
682 HA ILE 18 HA ILE 18 20.825 6.706 20.404
683 HB ILE 18 HB ILE 18 18.568 8.729 20.167
684 HG12 ILE 18 HG12 ILE 18 19.660 7.350 22.665
685 HG13 ILE 18 HG13 ILE 18 20.156 8.969 22.160
686 HG21 ILE 18 HG21 ILE 18 17.776 6.438 19.593
687 HG22 ILE 18 HG22 ILE 18 18.457 5.826 21.113
688 HG23 ILE 18 HG23 ILE 18 17.104 6.977 21.120
689 HD11 ILE 18 HD11 ILE 18 17.350 8.197 22.966
690 HD12 ILE 18 HD12 ILE 18 18.513 9.193 23.850
691 HD13 ILE 18 HD13 ILE 18 17.840 9.782 22.316
692 H GLY 19 H GLY 19 21.081 5.352 18.724
693 HA2 GLY 19 HA2 GLY 19 20.269 6.053 15.976
694 HA3 GLY 19 HA3 GLY 19 21.154 4.625 16.479
695 H ASP 20 H ASP 20 19.232 4.411 14.639
696 HA ASP 20 HA ASP 20 17.400 3.248 13.991
697 HB2 ASP 20 HB2 ASP 20 17.982 1.488 16.372
698 HB3 ASP 20 HB3 ASP 20 17.223 1.057 14.835
699 H VAL 21 H VAL 21 16.523 5.482 15.235
700 HA VAL 21 HA VAL 21 14.524 5.008 17.256
701 HB VAL 21 HB VAL 21 15.000 7.343 15.383
702 HG11 VAL 21 HG11 VAL 21 13.640 8.666 16.995
703 HG12 VAL 21 HG12 VAL 21 12.677 7.475 16.121
704 HG13 VAL 21 HG13 VAL 21 13.155 7.151 17.795
705 HG21 VAL 21 HG21 VAL 21 15.949 8.370 17.424
706 HG22 VAL 21 HG22 VAL 21 15.660 6.869 18.320
707 HG23 VAL 21 HG23 VAL 21 16.831 6.908 16.984
708 H LEU 22 H LEU 22 12.461 4.360 17.113
709 HA LEU 22 HA LEU 22 11.124 4.006 14.469
710 HB2 LEU 22 HB2 LEU 22 10.395 3.176 17.301
711 HB3 LEU 22 HB3 LEU 22 9.351 2.911 15.911
712 HG LEU 22 HG LEU 22 12.145 1.722 16.168
713 HD11 LEU 22 HD11 LEU 22 10.599 0.871 17.904
714 HD12 LEU 22 HD12 LEU 22 9.414 0.454 16.646
715 HD13 LEU 22 HD13 LEU 22 10.980 -0.385 16.707
716 HD21 LEU 22 HD21 LEU 22 9.848 1.012 14.285
717 HD22 LEU 22 HD22 LEU 22 11.294 1.907 13.811
718 HD23 LEU 22 HD23 LEU 22 11.434 0.234 14.351
719 H GLU 23 H GLU 23 10.831 5.859 17.509
720 HA GLU 23 HA GLU 23 9.073 7.802 16.188
721 HB2 GLU 23 HB2 GLU 23 7.497 6.119 16.979
722 HB3 GLU 23 HB3 GLU 23 8.156 6.213 18.615
723 HG2 GLU 23 HG2 GLU 23 7.385 8.528 18.836
724 HG3 GLU 23 HG3 GLU 23 6.886 8.562 17.149
725 H VAL 24 H VAL 24 9.199 9.827 17.045
726 HA VAL 24 HA VAL 24 10.348 10.264 19.733
727 HB VAL 24 HB VAL 24 12.274 10.358 18.298
728 HG11 VAL 24 HG11 VAL 24 11.297 10.908 16.158
729 HG12 VAL 24 HG12 VAL 24 10.918 12.560 16.724
730 HG13 VAL 24 HG13 VAL 24 12.595 12.017 16.579
731 HG21 VAL 24 HG21 VAL 24 11.566 13.211 19.101
732 HG22 VAL 24 HG22 VAL 24 12.156 11.959 20.216
733 HG23 VAL 24 HG23 VAL 24 13.180 12.519 18.892
734 H ARG 25 H ARG 25 9.621 12.101 20.745
735 HA ARG 25 HA ARG 25 7.727 13.892 19.291
736 HB2 ARG 25 HB2 ARG 25 7.173 12.703 22.046
737 HB3 ARG 25 HB3 ARG 25 6.147 13.815 21.134
738 HG2 ARG 25 HG2 ARG 25 5.828 12.031 19.405
739 HG3 ARG 25 HG3 ARG 25 6.764 10.920 20.437
740 HD2 ARG 25 HD2 ARG 25 5.159 11.459 22.317
741 HD3 ARG 25 HD3 ARG 25 4.177 12.349 21.139
742 HE ARG 25 HE ARG 25 4.674 9.680 20.191
743 HH11 ARG 25 HH11 ARG 25 2.756 11.242 22.706
744 HH12 ARG 25 HH12 ARG 25 1.588 9.932 22.693
745 HH21 ARG 25 HH21 ARG 25 3.296 8.149 20.245
746 HH22 ARG 25 HH22 ARG 25 1.878 8.166 21.304
747 H ALA 26 H ALA 26 7.652 15.947 19.961
748 HA ALA 26 HA ALA 26 9.036 16.805 22.465
749 HB1 ALA 26 HB1 ALA 26 9.522 18.164 20.469
750 HB2 ALA 26 HB2 ALA 26 7.791 18.442 20.220
751 HB3 ALA 26 HB3 ALA 26 8.583 19.081 21.679
752 H GLU 27 H GLU 27 7.716 16.414 24.184
753 HA GLU 27 HA GLU 27 4.857 17.144 24.107
754 HB2 GLU 27 HB2 GLU 27 4.903 14.860 23.128
755 HB3 GLU 27 HB3 GLU 27 5.706 14.253 24.582
756 HG2 GLU 27 HG2 GLU 27 3.729 14.979 25.932
757 HG3 GLU 27 HG3 GLU 27 2.951 15.548 24.450
758 H GLY 28 H GLY 28 4.225 17.923 26.031
759 HA2 GLY 28 HA2 GLY 28 4.042 18.285 28.288
760 HA3 GLY 28 HA3 GLY 28 4.930 16.789 28.561
761 H GLY 29 H GLY 29 6.305 19.578 26.834
762 HA2 GLY 29 HA2 GLY 29 7.988 21.078 27.413
763 HA3 GLY 29 HA3 GLY 29 7.778 20.645 29.108
764 H ALA 30 H ALA 30 8.380 18.085 26.848
765 HA ALA 30 HA ALA 30 11.292 17.948 27.329
766 HB1 ALA 30 HB1 ALA 30 11.084 15.689 28.308
767 HB2 ALA 30 HB2 ALA 30 10.132 16.820 29.281
768 HB3 ALA 30 HB3 ALA 30 9.327 15.746 28.111
769 H VAL 31 H VAL 31 12.272 16.150 26.067
770 HA VAL 31 HA VAL 31 10.597 15.286 23.749
771 HB VAL 31 HB VAL 31 13.596 15.508 23.944
772 HG11 VAL 31 HG11 VAL 31 11.951 13.959 21.901
773 HG12 VAL 31 HG12 VAL 31 13.588 14.540 21.601
774 HG13 VAL 31 HG13 VAL 31 13.312 13.356 22.880
775 HG21 VAL 31 HG21 VAL 31 12.118 17.442 23.222
776 HG22 VAL 31 HG22 VAL 31 13.268 16.914 21.985
777 HG23 VAL 31 HG23 VAL 31 11.555 16.458 21.871
778 H ARG 32 H ARG 32 10.115 13.237 23.423
779 HA ARG 32 HA ARG 32 11.237 11.089 25.187
780 HB2 ARG 32 HB2 ARG 32 8.337 11.609 24.421
781 HB3 ARG 32 HB3 ARG 32 8.922 9.979 24.739
782 HG2 ARG 32 HG2 ARG 32 8.003 10.618 26.746
783 HG3 ARG 32 HG3 ARG 32 9.733 10.755 26.990
784 HD2 ARG 32 HD2 ARG 32 9.544 13.246 26.738
785 HD3 ARG 32 HD3 ARG 32 7.791 13.060 26.516
786 HE ARG 32 HE ARG 32 9.041 11.898 28.946
787 HH11 ARG 32 HH11 ARG 32 7.105 14.657 27.828
788 HH12 ARG 32 HH12 ARG 32 6.502 14.908 29.441
789 HH21 ARG 32 HH21 ARG 32 8.206 12.361 30.921
790 HH22 ARG 32 HH22 ARG 32 7.108 13.695 31.105
791 H VAL 33 H VAL 33 11.744 9.166 24.161
792 HA VAL 33 HA VAL 33 11.309 8.909 21.247
793 HB VAL 33 HB VAL 33 13.249 10.318 21.391
794 HG11 VAL 33 HG11 VAL 33 14.130 9.683 23.601
795 HG12 VAL 33 HG12 VAL 33 14.630 8.100 22.930
796 HG13 VAL 33 HG13 VAL 33 15.359 9.616 22.340
797 HG21 VAL 33 HG21 VAL 33 14.810 9.097 20.029
798 HG22 VAL 33 HG22 VAL 33 14.134 7.537 20.543
799 HG23 VAL 33 HG23 VAL 33 13.164 8.679 19.573
800 H THR 34 H THR 34 11.514 6.935 20.381
801 HA THR 34 HA THR 34 11.853 4.567 22.199
802 HB THR 34 HB THR 34 9.779 4.955 20.007
803 HG1 THR 34 HG1 THR 34 9.275 6.137 21.848
804 HG21 THR 34 HG21 THR 34 10.206 2.668 21.989
805 HG22 THR 34 HG22 THR 34 8.776 2.868 20.942
806 HG23 THR 34 HG23 THR 34 10.360 2.588 20.212
807 H THR 35 H THR 35 13.136 2.979 21.433
808 HA THR 35 HA THR 35 14.309 3.273 18.702
809 HB THR 35 HB THR 35 16.190 2.046 19.500
810 HG1 THR 35 HG1 THR 35 14.880 1.867 21.993
811 HG21 THR 35 HG21 THR 35 15.441 4.069 21.652
812 HG22 THR 35 HG22 THR 35 17.070 3.511 21.210
813 HG23 THR 35 HG23 THR 35 16.131 4.458 20.046
814 H LEU 36 H LEU 36 15.002 1.375 17.553
815 HA LEU 36 HA LEU 36 13.300 -0.628 16.809
816 HB2 LEU 36 HB2 LEU 36 15.423 0.001 15.742
817 HB3 LEU 36 HB3 LEU 36 16.330 -0.578 17.127
818 HG LEU 36 HG LEU 36 15.608 -2.919 16.591
819 HD11 LEU 36 HD11 LEU 36 14.618 -1.653 14.000
820 HD12 LEU 36 HD12 LEU 36 14.719 -3.394 14.347
821 HD13 LEU 36 HD13 LEU 36 13.567 -2.382 15.244
822 HD21 LEU 36 HD21 LEU 36 17.140 -3.158 14.706
823 HD22 LEU 36 HD22 LEU 36 17.048 -1.420 14.366
824 HD23 LEU 36 HD23 LEU 36 17.786 -2.004 15.874
825 H PHE 37 H PHE 37 15.394 -0.726 19.653
826 HA PHE 37 HA PHE 37 14.954 -3.569 20.202
827 HB2 PHE 37 HB2 PHE 37 16.423 -1.449 21.804
828 HB3 PHE 37 HB3 PHE 37 16.562 -3.191 21.992
829 HD1 PHE 37 HD1 PHE 37 17.717 -0.286 20.118
830 HD2 PHE 37 HD2 PHE 37 17.566 -4.598 20.141
831 HE1 PHE 37 HE1 PHE 37 19.472 -0.360 18.355
832 HE2 PHE 37 HE2 PHE 37 19.347 -4.668 18.413
833 HZ PHE 37 HZ PHE 37 20.297 -2.546 17.509
834 H ASP 38 H ASP 38 12.857 -1.176 20.577
835 HA ASP 38 HA ASP 38 11.156 -0.573 21.880
836 HB2 ASP 38 HB2 ASP 38 11.369 -3.235 23.297
837 HB3 ASP 38 HB3 ASP 38 9.992 -2.144 23.293
838 H GLU 39 H GLU 39 14.098 -0.313 22.902
839 HA GLU 39 HA GLU 39 13.650 0.415 25.718
840 HB2 GLU 39 HB2 GLU 39 15.847 -0.432 24.961
841 HB3 GLU 39 HB3 GLU 39 16.015 0.953 23.876
842 HG2 GLU 39 HG2 GLU 39 16.060 2.501 25.766
843 HG3 GLU 39 HG3 GLU 39 15.636 1.201 26.887
844 H GLU 40 H GLU 40 13.390 2.483 26.505
845 HA GLU 40 HA GLU 40 12.797 4.664 24.543
846 HB2 GLU 40 HB2 GLU 40 11.242 3.931 27.046
847 HB3 GLU 40 HB3 GLU 40 11.002 5.400 26.088
848 HG2 GLU 40 HG2 GLU 40 10.371 4.066 24.132
849 HG3 GLU 40 HG3 GLU 40 10.688 2.566 25.011
850 H HIS 41 H HIS 41 13.117 6.767 25.220
851 HA HIS 41 HA HIS 41 14.657 7.280 27.719
852 HB2 HIS 41 HB2 HIS 41 15.576 8.345 25.045
853 HB3 HIS 41 HB3 HIS 41 16.366 8.512 26.602
854 HD2 HIS 41 HD2 HIS 41 15.995 6.138 23.648
855 HE1 HIS 41 HE1 HIS 41 18.720 4.234 26.323
856 HE2 HIS 41 HE2 HIS 41 17.684 4.135 24.007
857 H ALA 42 H ALA 42 14.712 9.536 28.339
858 HA ALA 42 HA ALA 42 12.836 11.361 26.995
859 HB1 ALA 42 HB1 ALA 42 11.535 11.747 29.049
860 HB2 ALA 42 HB2 ALA 42 11.436 10.037 28.573
861 HB3 ALA 42 HB3 ALA 42 12.495 10.526 29.911
862 H PHE 43 H PHE 43 13.213 13.479 27.322
863 HA PHE 43 HA PHE 43 15.533 14.354 28.986
864 HB2 PHE 43 HB2 PHE 43 15.172 14.863 26.016
865 HB3 PHE 43 HB3 PHE 43 16.486 15.459 27.039
866 HD1 PHE 43 HD1 PHE 43 15.279 12.687 25.023
867 HD2 PHE 43 HD2 PHE 43 18.073 13.771 28.128
868 HE1 PHE 43 HE1 PHE 43 16.557 10.602 24.605
869 HE2 PHE 43 HE2 PHE 43 19.345 11.674 27.713
870 HZ PHE 43 HZ PHE 43 18.579 10.084 25.978
871 HA PRO 44 HA PRO 44 12.212 17.449 29.606
872 HB2 PRO 44 HB2 PRO 44 14.003 18.028 31.957
873 HB3 PRO 44 HB3 PRO 44 12.216 17.965 31.880
874 HG2 PRO 44 HG2 PRO 44 13.587 15.868 32.911
875 HG3 PRO 44 HG3 PRO 44 12.235 15.563 31.786
876 HD2 PRO 44 HD2 PRO 44 15.204 15.626 31.162
877 HD3 PRO 44 HD3 PRO 44 13.977 14.415 30.696
878 H GLY 45 H GLY 45 12.084 19.631 29.210
879 HA2 GLY 45 HA2 GLY 45 12.731 21.791 28.790
880 HA3 GLY 45 HA3 GLY 45 14.406 21.407 29.206
881 H LEU 46 H LEU 46 13.320 19.213 26.863
882 HA LEU 46 HA LEU 46 14.527 20.805 24.650
883 HB2 LEU 46 HB2 LEU 46 14.269 17.798 24.913
884 HB3 LEU 46 HB3 LEU 46 14.984 18.663 23.557
885 HG LEU 46 HG LEU 46 16.079 18.478 26.390
886 HD11 LEU 46 HD11 LEU 46 16.392 16.539 24.806
887 HD12 LEU 46 HD12 LEU 46 17.255 17.636 23.714
888 HD13 LEU 46 HD13 LEU 46 17.900 17.298 25.340
889 HD21 LEU 46 HD21 LEU 46 18.041 19.742 25.505
890 HD22 LEU 46 HD22 LEU 46 17.138 20.084 24.013
891 HD23 LEU 46 HD23 LEU 46 16.596 20.739 25.579
892 H ALA 47 H ALA 47 13.790 20.549 22.540
893 HA ALA 47 HA ALA 47 11.244 19.223 21.947
894 HB1 ALA 47 HB1 ALA 47 11.759 22.148 21.258
895 HB2 ALA 47 HB2 ALA 47 10.383 21.186 20.694
896 HB3 ALA 47 HB3 ALA 47 10.553 21.557 22.420
897 H ILE 48 H ILE 48 10.991 19.002 19.508
898 HA ILE 48 HA ILE 48 13.565 18.276 18.306
899 HB ILE 48 HB ILE 48 10.776 18.236 17.121
900 HG12 ILE 48 HG12 ILE 48 12.318 15.782 18.029
901 HG13 ILE 48 HG13 ILE 48 11.302 16.661 19.166
902 HG21 ILE 48 HG21 ILE 48 13.430 17.064 16.151
903 HG22 ILE 48 HG22 ILE 48 11.848 16.657 15.452
904 HG23 ILE 48 HG23 ILE 48 12.456 18.305 15.347
905 HD11 ILE 48 HD11 ILE 48 10.326 15.369 16.596
906 HD12 ILE 48 HD12 ILE 48 10.019 14.838 18.251
907 HD13 ILE 48 HD13 ILE 48 9.333 16.368 17.679
908 H GLY 49 H GLY 49 14.807 19.551 17.070
909 HA2 GLY 49 HA2 GLY 49 13.880 22.330 16.478
910 HA3 GLY 49 HA3 GLY 49 15.538 21.764 16.667
911 H ARG 50 H ARG 50 15.416 19.518 14.855
912 HA ARG 50 HA ARG 50 14.725 20.580 12.175
913 HB2 ARG 50 HB2 ARG 50 16.798 21.763 12.666
914 HB3 ARG 50 HB3 ARG 50 17.592 20.282 13.176
915 HG2 ARG 50 HG2 ARG 50 17.596 19.416 10.885
916 HG3 ARG 50 HG3 ARG 50 16.677 20.833 10.330
917 HD2 ARG 50 HD2 ARG 50 18.530 22.316 11.058
918 HD3 ARG 50 HD3 ARG 50 19.450 20.913 11.600
919 HE ARG 50 HE ARG 50 18.812 21.681 8.777
920 HH11 ARG 50 HH11 ARG 50 20.547 19.361 10.787
921 HH12 ARG 50 HH12 ARG 50 21.355 18.700 9.382
922 HH21 ARG 50 HH21 ARG 50 19.884 20.877 7.176
923 HH22 ARG 50 HH22 ARG 50 20.870 19.416 7.374
924 H VAL 51 H VAL 51 14.666 18.993 10.565
925 HA VAL 51 HA VAL 51 15.877 16.347 11.201
926 HB VAL 51 HB VAL 51 13.218 16.514 9.771
927 HG11 VAL 51 HG11 VAL 51 13.202 14.076 10.214
928 HG12 VAL 51 HG12 VAL 51 14.533 14.569 9.171
929 HG13 VAL 51 HG13 VAL 51 14.843 14.201 10.875
930 HG21 VAL 51 HG21 VAL 51 12.200 15.541 11.795
931 HG22 VAL 51 HG22 VAL 51 13.719 15.821 12.684
932 HG23 VAL 51 HG23 VAL 51 12.753 17.179 12.063
933 H ASP 52 H ASP 52 17.112 15.561 9.629
934 HA ASP 52 HA ASP 52 17.177 16.947 6.968
935 HB2 ASP 52 HB2 ASP 52 18.906 17.687 8.564
936 HB3 ASP 52 HB3 ASP 52 19.536 16.040 8.663
937 H LEU 53 H LEU 53 16.323 15.553 5.611
938 HA LEU 53 HA LEU 53 16.543 12.662 6.015
939 HB2 LEU 53 HB2 LEU 53 15.053 14.283 3.932
940 HB3 LEU 53 HB3 LEU 53 14.951 12.547 4.154
941 HG LEU 53 HG LEU 53 13.012 13.413 5.086
942 HD11 LEU 53 HD11 LEU 53 13.085 12.762 7.437
943 HD12 LEU 53 HD12 LEU 53 14.053 11.650 6.457
944 HD13 LEU 53 HD13 LEU 53 14.843 12.885 7.464
945 HD21 LEU 53 HD21 LEU 53 13.676 15.785 5.404
946 HD22 LEU 53 HD22 LEU 53 12.761 15.108 6.756
947 HD23 LEU 53 HD23 LEU 53 14.505 15.335 6.913
948 H ARG 54 H ARG 54 18.544 14.837 4.471
949 HA ARG 54 HA ARG 54 19.598 13.175 2.315
950 HB2 ARG 54 HB2 ARG 54 21.056 15.189 4.078
951 HB3 ARG 54 HB3 ARG 54 21.603 14.581 2.517
952 HG2 ARG 54 HG2 ARG 54 19.684 15.678 1.407
953 HG3 ARG 54 HG3 ARG 54 19.124 16.296 2.970
954 HD2 ARG 54 HD2 ARG 54 21.481 17.341 3.204
955 HD3 ARG 54 HD3 ARG 54 21.700 16.965 1.500
956 HE ARG 54 HE ARG 54 20.268 18.723 0.938
957 HH11 ARG 54 HH11 ARG 54 19.748 18.101 4.407
958 HH12 ARG 54 HH12 ARG 54 19.155 19.759 4.603
959 HH21 ARG 54 HH21 ARG 54 19.338 20.751 1.425
960 HH22 ARG 54 HH22 ARG 54 18.875 21.053 3.104
961 H SER 55 H SER 55 19.968 13.174 5.788
962 HA SER 55 HA SER 55 21.869 10.863 5.673
963 HB2 SER 55 HB2 SER 55 21.890 13.182 7.630
964 HB3 SER 55 HB3 SER 55 22.990 11.797 7.648
965 HG SER 55 HG SER 55 23.906 13.617 6.594
966 H GLY 56 H GLY 56 18.857 11.958 6.944
967 HA2 GLY 56 HA2 GLY 56 17.279 10.777 8.173
968 HA3 GLY 56 HA3 GLY 56 18.411 9.421 8.334
969 H VAL 57 H VAL 57 18.781 12.861 9.315
970 HA VAL 57 HA VAL 57 19.212 11.942 12.134
971 HB VAL 57 HB VAL 57 20.644 14.210 10.747
972 HG11 VAL 57 HG11 VAL 57 20.944 13.019 13.549
973 HG12 VAL 57 HG12 VAL 57 22.051 14.197 12.818
974 HG13 VAL 57 HG13 VAL 57 20.384 14.661 13.153
975 HG21 VAL 57 HG21 VAL 57 22.653 12.751 11.041
976 HG22 VAL 57 HG22 VAL 57 21.592 11.444 11.620
977 HG23 VAL 57 HG23 VAL 57 21.466 12.026 9.953
978 H ILE 58 H ILE 58 18.221 12.852 13.707
979 HA ILE 58 HA ILE 58 16.339 15.155 13.313
980 HB ILE 58 HB ILE 58 16.214 12.652 15.041
981 HG12 ILE 58 HG12 ILE 58 14.116 13.488 13.024
982 HG13 ILE 58 HG13 ILE 58 15.535 12.587 12.499
983 HG21 ILE 58 HG21 ILE 58 13.970 13.514 15.770
984 HG22 ILE 58 HG22 ILE 58 15.335 14.431 16.376
985 HG23 ILE 58 HG23 ILE 58 14.366 15.070 15.017
986 HD11 ILE 58 HD11 ILE 58 14.998 10.776 14.114
987 HD12 ILE 58 HD12 ILE 58 13.495 11.626 14.526
988 HD13 ILE 58 HD13 ILE 58 13.746 11.040 12.879
989 H SER 59 H SER 59 17.063 16.935 14.310
990 HA SER 59 HA SER 59 19.019 16.709 16.561
991 HB2 SER 59 HB2 SER 59 19.795 17.793 14.482
992 HB3 SER 59 HB3 SER 59 18.528 19.022 14.683
993 HG SER 59 HG SER 59 20.568 19.687 15.552
994 H LEU 60 H LEU 60 18.585 17.476 18.494
995 HA LEU 60 HA LEU 60 15.931 18.721 19.040
996 HB2 LEU 60 HB2 LEU 60 17.902 17.097 20.654
997 HB3 LEU 60 HB3 LEU 60 16.570 17.965 21.401
998 HG LEU 60 HG LEU 60 14.929 16.568 20.557
999 HD11 LEU 60 HD11 LEU 60 15.455 16.386 18.203
1000 HD12 LEU 60 HD12 LEU 60 16.864 15.356 18.562
1001 HD13 LEU 60 HD13 LEU 60 15.212 14.789 18.896
1002 HD21 LEU 60 HD21 LEU 60 16.390 15.500 22.264
1003 HD22 LEU 60 HD22 LEU 60 15.707 14.284 21.168
1004 HD23 LEU 60 HD23 LEU 60 17.376 14.791 20.961
1005 H ILE 61 H ILE 61 15.687 20.458 20.394
1006 HA ILE 61 HA ILE 61 18.047 22.143 21.085
1007 HB ILE 61 HB ILE 61 16.900 24.148 20.210
1008 HG12 ILE 61 HG12 ILE 61 15.234 23.708 18.284
1009 HG13 ILE 61 HG13 ILE 61 14.851 22.199 19.091
1010 HG21 ILE 61 HG21 ILE 61 18.668 22.966 18.947
1011 HG22 ILE 61 HG22 ILE 61 17.422 22.085 18.055
1012 HG23 ILE 61 HG23 ILE 61 17.550 23.851 17.918
1013 HD11 ILE 61 HD11 ILE 61 13.294 24.091 19.596
1014 HD12 ILE 61 HD12 ILE 61 14.058 23.465 21.060
1015 HD13 ILE 61 HD13 ILE 61 14.639 24.980 20.333
1016 H GLU 62 H GLU 62 17.573 23.854 22.659
1017 HA GLU 62 HA GLU 62 15.899 22.930 24.808
1018 HB2 GLU 62 HB2 GLU 62 17.233 25.647 24.498
1019 HB3 GLU 62 HB3 GLU 62 16.570 24.933 25.963
1020 HG2 GLU 62 HG2 GLU 62 18.736 24.451 26.314
1021 HG3 GLU 62 HG3 GLU 62 18.299 22.976 25.466
1022 H GLU 63 H GLU 63 13.844 23.354 25.312
1023 HA GLU 63 HA GLU 63 12.180 24.646 23.331
1024 HB2 GLU 63 HB2 GLU 63 10.360 23.668 24.457
1025 HB3 GLU 63 HB3 GLU 63 11.688 22.530 24.502
1026 HG2 GLU 63 HG2 GLU 63 11.033 22.284 26.655
1027 HG3 GLU 63 HG3 GLU 63 12.158 23.620 26.895
1028 H GLN 64 H GLN 64 13.667 25.928 26.117
1029 HA GLN 64 HA GLN 64 12.397 28.504 25.547
1030 HB2 GLN 64 HB2 GLN 64 11.974 29.105 27.825
1031 HB3 GLN 64 HB3 GLN 64 11.084 27.642 27.427
1032 HG2 GLN 64 HG2 GLN 64 12.840 26.296 28.620
1033 HG3 GLN 64 HG3 GLN 64 13.640 27.810 29.084
1034 HE21 GLN 64 HE21 GLN 64 10.490 26.068 29.339
1035 HE22 GLN 64 HE22 GLN 64 10.049 26.806 30.887
1036 H ASN 65 H ASN 65 13.753 30.265 25.907
1037 HA ASN 65 HA ASN 65 16.650 29.511 26.110
1038 HB2 ASN 65 HB2 ASN 65 15.437 31.365 24.037
1039 HB3 ASN 65 HB3 ASN 65 17.056 30.675 24.058
1040 HD21 ASN 65 HD21 ASN 65 16.832 28.005 24.273
1041 HD22 ASN 65 HD22 ASN 65 15.688 27.333 23.129
1042 H ARG 66 H ARG 66 14.735 31.150 27.939
1043 HA ARG 66 HA ARG 66 16.730 33.134 28.758
1044 HB2 ARG 66 HB2 ARG 66 15.174 35.019 28.810
1045 HB3 ARG 66 HB3 ARG 66 15.482 34.470 27.176
1046 HG2 ARG 66 HG2 ARG 66 13.284 33.342 27.080
1047 HG3 ARG 66 HG3 ARG 66 12.987 33.746 28.783
1048 HD2 ARG 66 HD2 ARG 66 11.770 35.250 27.358
1049 HD3 ARG 66 HD3 ARG 66 13.002 36.158 28.231
1050 HE ARG 66 HE ARG 66 13.016 35.428 25.324
1051 HH11 ARG 66 HH11 ARG 66 14.426 37.416 27.865
1052 HH12 ARG 66 HH12 ARG 66 15.339 38.365 26.726
1053 HH21 ARG 66 HH21 ARG 66 14.198 36.696 23.955
1054 HH22 ARG 66 HH22 ARG 66 15.200 37.973 24.585
Start of MODEL 7
1 H1 GLY -3 H1 GLY -3 7.149 -3.864 9.887
2 H2 GLY -3 H2 GLY -3 8.248 -5.013 10.297
3 H3 GLY -3 H3 GLY -3 8.203 -4.422 8.768
4 HA2 GLY -3 HA2 GLY -3 8.934 -2.902 11.182
5 HA3 GLY -3 HA3 GLY -3 10.074 -3.486 9.955
6 HA PRO -2 HA PRO -2 8.859 0.944 9.069
7 HB2 PRO -2 HB2 PRO -2 11.793 0.937 8.391
8 HB3 PRO -2 HB3 PRO -2 10.830 2.236 9.148
9 HG2 PRO -2 HG2 PRO -2 12.410 0.679 10.701
10 HG3 PRO -2 HG3 PRO -2 10.733 1.033 11.237
11 HD2 PRO -2 HD2 PRO -2 11.766 -1.447 9.847
12 HD3 PRO -2 HD3 PRO -2 10.702 -1.313 11.283
13 H GLY -1 H GLY -1 8.460 1.919 7.094
14 HA2 GLY -1 HA2 GLY -1 9.839 1.532 4.651
15 HA3 GLY -1 HA3 GLY -1 8.477 0.419 4.656
16 H SER 0 H SER 0 9.155 3.004 3.134
17 HA SER 0 HA SER 0 6.431 4.081 3.100
18 HB2 SER 0 HB2 SER 0 7.532 5.415 4.868
19 HB3 SER 0 HB3 SER 0 8.769 5.927 3.714
20 HG SER 0 HG SER 0 6.753 7.261 4.116
21 H MET 1 H MET 1 5.969 5.401 1.309
22 HA MET 1 HA MET 1 7.471 4.721 -1.109
23 HB2 MET 1 HB2 MET 1 5.525 5.629 -2.312
24 HB3 MET 1 HB3 MET 1 5.089 4.443 -1.095
25 HG2 MET 1 HG2 MET 1 3.466 6.104 -0.897
26 HG3 MET 1 HG3 MET 1 4.532 6.380 0.471
27 HE1 MET 1 HE1 MET 1 3.510 10.023 -0.056
28 HE2 MET 1 HE2 MET 1 2.507 8.556 -0.036
29 HE3 MET 1 HE3 MET 1 3.861 8.733 1.110
30 H CYS 2 H CYS 2 7.866 7.150 1.045
31 HA CYS 2 HA CYS 2 9.353 8.818 -0.892
32 HB2 CYS 2 HB2 CYS 2 8.323 10.890 -0.123
33 HB3 CYS 2 HB3 CYS 2 7.105 9.819 -0.802
34 HG CYS 2 HG CYS 2 7.876 10.387 2.382
35 H MET 3 H MET 3 10.685 10.495 0.230
36 HA MET 3 HA MET 3 12.433 9.344 2.163
37 HB2 MET 3 HB2 MET 3 12.035 12.206 1.257
38 HB3 MET 3 HB3 MET 3 13.434 11.653 2.190
39 HG2 MET 3 HG2 MET 3 14.186 10.240 0.437
40 HG3 MET 3 HG3 MET 3 12.697 10.429 -0.497
41 HE1 MET 3 HE1 MET 3 12.413 13.781 -0.140
42 HE2 MET 3 HE2 MET 3 13.091 14.206 -1.711
43 HE3 MET 3 HE3 MET 3 11.948 12.845 -1.589
44 H ALA 4 H ALA 4 10.085 12.026 2.511
45 HA ALA 4 HA ALA 4 9.019 10.966 4.948
46 HB1 ALA 4 HB1 ALA 4 10.599 13.580 5.078
47 HB2 ALA 4 HB2 ALA 4 9.419 13.081 6.302
48 HB3 ALA 4 HB3 ALA 4 10.855 12.100 6.039
49 H LYS 5 H LYS 5 7.234 12.400 5.723
50 HA LYS 5 HA LYS 5 6.173 14.342 3.763
51 HB2 LYS 5 HB2 LYS 5 3.913 13.373 3.863
52 HB3 LYS 5 HB3 LYS 5 5.087 12.351 3.035
53 HG2 LYS 5 HG2 LYS 5 5.272 10.924 5.083
54 HG3 LYS 5 HG3 LYS 5 4.079 11.944 5.892
55 HD2 LYS 5 HD2 LYS 5 3.546 10.420 3.324
56 HD3 LYS 5 HD3 LYS 5 3.200 9.786 4.942
57 HE2 LYS 5 HE2 LYS 5 1.703 11.740 5.382
58 HE3 LYS 5 HE3 LYS 5 2.013 12.341 3.746
59 HZ1 LYS 5 HZ1 LYS 5 -0.048 11.058 3.848
60 HZ2 LYS 5 HZ2 LYS 5 1.006 10.293 2.876
61 HZ3 LYS 5 HZ3 LYS 5 0.738 9.735 4.382
62 H VAL 6 H VAL 6 5.160 16.032 4.637
63 HA VAL 6 HA VAL 6 5.056 16.224 7.622
64 HB VAL 6 HB VAL 6 5.398 18.328 5.485
65 HG11 VAL 6 HG11 VAL 6 3.933 19.357 7.136
66 HG12 VAL 6 HG12 VAL 6 4.956 18.743 8.459
67 HG13 VAL 6 HG13 VAL 6 5.568 19.987 7.351
68 HG21 VAL 6 HG21 VAL 6 7.431 17.019 6.262
69 HG22 VAL 6 HG22 VAL 6 7.506 18.760 6.513
70 HG23 VAL 6 HG23 VAL 6 7.147 17.705 7.876
71 H VAL 7 H VAL 7 3.223 16.813 8.677
72 HA VAL 7 HA VAL 7 0.877 17.723 7.136
73 HB VAL 7 HB VAL 7 0.500 15.352 7.358
74 HG11 VAL 7 HG11 VAL 7 0.235 14.223 9.518
75 HG12 VAL 7 HG12 VAL 7 1.879 14.835 9.335
76 HG13 VAL 7 HG13 VAL 7 0.735 15.685 10.385
77 HG21 VAL 7 HG21 VAL 7 -1.682 15.369 8.373
78 HG22 VAL 7 HG22 VAL 7 -1.278 16.779 9.372
79 HG23 VAL 7 HG23 VAL 7 -1.427 16.950 7.612
80 H LEU 8 H LEU 8 -0.393 19.176 8.059
81 HA LEU 8 HA LEU 8 -0.048 20.014 10.866
82 HB2 LEU 8 HB2 LEU 8 0.681 22.242 10.340
83 HB3 LEU 8 HB3 LEU 8 1.771 21.079 9.627
84 HG LEU 8 HG LEU 8 0.242 21.475 7.452
85 HD11 LEU 8 HD11 LEU 8 -0.016 24.089 9.015
86 HD12 LEU 8 HD12 LEU 8 -0.272 23.940 7.270
87 HD13 LEU 8 HD13 LEU 8 -1.341 23.093 8.379
88 HD21 LEU 8 HD21 LEU 8 2.669 21.825 7.593
89 HD22 LEU 8 HD22 LEU 8 1.883 23.121 6.697
90 HD23 LEU 8 HD23 LEU 8 2.396 23.403 8.375
91 H THR 9 H THR 9 -1.532 21.771 11.459
92 HA THR 9 HA THR 9 -3.897 22.104 9.660
93 HB THR 9 HB THR 9 -4.115 21.870 12.668
94 HG1 THR 9 HG1 THR 9 -3.645 19.875 11.796
95 HG21 THR 9 HG21 THR 9 -6.198 21.921 10.422
96 HG22 THR 9 HG22 THR 9 -6.546 21.646 12.137
97 HG23 THR 9 HG23 THR 9 -5.918 23.215 11.608
98 H LYS 10 H LYS 10 -4.437 24.137 9.269
99 HA LYS 10 HA LYS 10 -2.822 26.355 10.241
100 HB2 LYS 10 HB2 LYS 10 -5.254 26.218 8.397
101 HB3 LYS 10 HB3 LYS 10 -4.261 27.661 8.652
102 HG2 LYS 10 HG2 LYS 10 -2.274 26.514 7.777
103 HG3 LYS 10 HG3 LYS 10 -3.203 25.037 7.494
104 HD2 LYS 10 HD2 LYS 10 -3.804 27.724 6.189
105 HD3 LYS 10 HD3 LYS 10 -2.824 26.451 5.456
106 HE2 LYS 10 HE2 LYS 10 -4.756 24.872 5.598
107 HE3 LYS 10 HE3 LYS 10 -5.748 26.166 6.292
108 HZ1 LYS 10 HZ1 LYS 10 -5.457 27.420 4.232
109 HZ2 LYS 10 HZ2 LYS 10 -4.495 26.259 3.595
110 HZ3 LYS 10 HZ3 LYS 10 -6.072 25.949 3.871
111 H ALA 11 H ALA 11 -3.826 28.411 10.967
112 HA ALA 11 HA ALA 11 -5.401 28.147 13.338
113 HB1 ALA 11 HB1 ALA 11 -4.841 30.599 11.590
114 HB2 ALA 11 HB2 ALA 11 -5.408 30.615 13.276
115 HB3 ALA 11 HB3 ALA 11 -3.796 29.973 12.894
116 H ASP 12 H ASP 12 -6.389 28.572 9.995
117 HA ASP 12 HA ASP 12 -9.171 29.222 10.563
118 HB2 ASP 12 HB2 ASP 12 -7.804 29.837 8.502
119 HB3 ASP 12 HB3 ASP 12 -7.939 28.153 7.992
120 H GLY 13 H GLY 13 -7.532 26.350 11.073
121 HA2 GLY 13 HA2 GLY 13 -8.361 24.319 11.772
122 HA3 GLY 13 HA3 GLY 13 -9.971 24.750 11.212
123 H GLY 14 H GLY 14 -8.004 25.276 8.568
124 HA2 GLY 14 HA2 GLY 14 -8.678 22.694 7.302
125 HA3 GLY 14 HA3 GLY 14 -7.990 24.116 6.507
126 H ARG 15 H ARG 15 -7.183 21.142 6.627
127 HA ARG 15 HA ARG 15 -4.488 21.269 7.838
128 HB2 ARG 15 HB2 ARG 15 -5.704 19.018 6.216
129 HB3 ARG 15 HB3 ARG 15 -4.211 18.982 7.149
130 HG2 ARG 15 HG2 ARG 15 -5.805 19.625 9.182
131 HG3 ARG 15 HG3 ARG 15 -7.059 18.959 8.133
132 HD2 ARG 15 HD2 ARG 15 -4.603 17.596 9.271
133 HD3 ARG 15 HD3 ARG 15 -6.295 17.184 9.550
134 HE ARG 15 HE ARG 15 -4.796 16.773 6.959
135 HH11 ARG 15 HH11 ARG 15 -7.411 15.584 9.027
136 HH12 ARG 15 HH12 ARG 15 -7.677 14.234 7.951
137 HH21 ARG 15 HH21 ARG 15 -5.181 15.190 5.762
138 HH22 ARG 15 HH22 ARG 15 -6.479 14.027 6.072
139 H VAL 16 H VAL 16 -2.588 20.687 6.735
140 HA VAL 16 HA VAL 16 -2.527 20.889 3.783
141 HB VAL 16 HB VAL 16 -0.539 22.377 5.525
142 HG11 VAL 16 HG11 VAL 16 0.364 23.239 3.385
143 HG12 VAL 16 HG12 VAL 16 0.572 21.498 3.531
144 HG13 VAL 16 HG13 VAL 16 -0.729 22.151 2.498
145 HG21 VAL 16 HG21 VAL 16 -1.383 24.428 4.429
146 HG22 VAL 16 HG22 VAL 16 -2.660 23.475 3.646
147 HG23 VAL 16 HG23 VAL 16 -2.616 23.655 5.415
148 H GLU 17 H GLU 17 -1.124 19.486 2.847
149 HA GLU 17 HA GLU 17 0.675 17.834 4.542
150 HB2 GLU 17 HB2 GLU 17 -1.210 16.737 2.395
151 HB3 GLU 17 HB3 GLU 17 0.095 15.876 3.193
152 HG2 GLU 17 HG2 GLU 17 -1.666 15.112 4.388
153 HG3 GLU 17 HG3 GLU 17 -1.081 16.402 5.420
154 H ILE 18 H ILE 18 2.596 17.244 3.628
155 HA ILE 18 HA ILE 18 3.221 18.114 0.825
156 HB ILE 18 HB ILE 18 4.922 18.667 3.283
157 HG12 ILE 18 HG12 ILE 18 3.769 20.830 1.480
158 HG13 ILE 18 HG13 ILE 18 2.855 20.231 2.863
159 HG21 ILE 18 HG21 ILE 18 5.389 19.365 0.352
160 HG22 ILE 18 HG22 ILE 18 6.431 19.874 1.692
161 HG23 ILE 18 HG23 ILE 18 6.310 18.174 1.298
162 HD11 ILE 18 HD11 ILE 18 4.048 22.190 3.514
163 HD12 ILE 18 HD12 ILE 18 4.660 20.787 4.397
164 HD13 ILE 18 HD13 ILE 18 5.609 21.490 3.057
165 H GLY 19 H GLY 19 4.075 16.464 -0.277
166 HA2 GLY 19 HA2 GLY 19 5.303 14.139 1.120
167 HA3 GLY 19 HA3 GLY 19 4.727 14.170 -0.537
168 H ASP 20 H ASP 20 7.115 13.082 -0.166
169 HA ASP 20 HA ASP 20 9.295 13.071 -0.758
170 HB2 ASP 20 HB2 ASP 20 8.508 15.224 -2.742
171 HB3 ASP 20 HB3 ASP 20 9.848 14.083 -2.850
172 H VAL 21 H VAL 21 9.015 14.468 1.543
173 HA VAL 21 HA VAL 21 10.428 17.007 1.502
174 HB VAL 21 HB VAL 21 9.482 15.223 3.761
175 HG11 VAL 21 HG11 VAL 21 10.675 18.013 3.880
176 HG12 VAL 21 HG12 VAL 21 9.780 17.237 5.199
177 HG13 VAL 21 HG13 VAL 21 11.297 16.533 4.653
178 HG21 VAL 21 HG21 VAL 21 7.668 16.185 2.431
179 HG22 VAL 21 HG22 VAL 21 7.745 17.002 3.995
180 HG23 VAL 21 HG23 VAL 21 8.398 17.803 2.556
181 H LEU 22 H LEU 22 12.488 17.423 1.694
182 HA LEU 22 HA LEU 22 14.479 15.280 2.306
183 HB2 LEU 22 HB2 LEU 22 14.718 18.123 1.220
184 HB3 LEU 22 HB3 LEU 22 16.102 17.132 1.638
185 HG LEU 22 HG LEU 22 14.052 16.347 -0.493
186 HD11 LEU 22 HD11 LEU 22 16.837 17.582 -0.730
187 HD12 LEU 22 HD12 LEU 22 15.872 16.959 -2.084
188 HD13 LEU 22 HD13 LEU 22 15.296 18.361 -1.158
189 HD21 LEU 22 HD21 LEU 22 16.838 15.256 0.124
190 HD22 LEU 22 HD22 LEU 22 15.316 14.419 0.501
191 HD23 LEU 22 HD23 LEU 22 15.755 14.721 -1.177
192 H GLU 23 H GLU 23 13.167 18.342 3.655
193 HA GLU 23 HA GLU 23 14.668 17.926 6.149
194 HB2 GLU 23 HB2 GLU 23 16.360 18.923 4.800
195 HB3 GLU 23 HB3 GLU 23 15.268 20.182 4.219
196 HG2 GLU 23 HG2 GLU 23 15.212 21.234 6.423
197 HG3 GLU 23 HG3 GLU 23 16.160 19.898 7.109
198 H VAL 24 H VAL 24 13.923 19.099 7.878
199 HA VAL 24 HA VAL 24 11.747 21.070 7.510
200 HB VAL 24 HB VAL 24 11.523 18.742 9.445
201 HG11 VAL 24 HG11 VAL 24 10.456 20.796 10.321
202 HG12 VAL 24 HG12 VAL 24 9.547 20.975 8.808
203 HG13 VAL 24 HG13 VAL 24 9.259 19.588 9.883
204 HG21 VAL 24 HG21 VAL 24 11.037 17.916 7.223
205 HG22 VAL 24 HG22 VAL 24 9.517 18.131 8.069
206 HG23 VAL 24 HG23 VAL 24 10.018 19.331 6.869
207 H ARG 25 H ARG 25 11.825 22.745 8.969
208 HA ARG 25 HA ARG 25 13.658 22.555 11.341
209 HB2 ARG 25 HB2 ARG 25 13.638 24.877 9.364
210 HB3 ARG 25 HB3 ARG 25 14.576 24.758 10.858
211 HG2 ARG 25 HG2 ARG 25 15.800 22.777 9.856
212 HG3 ARG 25 HG3 ARG 25 14.935 23.099 8.333
213 HD2 ARG 25 HD2 ARG 25 15.843 25.387 8.283
214 HD3 ARG 25 HD3 ARG 25 16.695 25.091 9.811
215 HE ARG 25 HE ARG 25 17.444 23.101 7.871
216 HH11 ARG 25 HH11 ARG 25 18.097 26.494 8.543
217 HH12 ARG 25 HH12 ARG 25 19.605 26.438 7.656
218 HH21 ARG 25 HH21 ARG 25 19.204 23.104 6.822
219 HH22 ARG 25 HH22 ARG 25 20.266 24.518 6.715
220 H ALA 26 H ALA 26 12.496 22.952 13.070
221 HA ALA 26 HA ALA 26 10.314 24.969 13.126
222 HB1 ALA 26 HB1 ALA 26 9.876 24.019 15.365
223 HB2 ALA 26 HB2 ALA 26 9.835 22.754 14.111
224 HB3 ALA 26 HB3 ALA 26 11.245 22.900 15.174
225 H GLU 27 H GLU 27 11.260 26.961 13.191
226 HA GLU 27 HA GLU 27 12.880 27.765 15.467
227 HB2 GLU 27 HB2 GLU 27 14.903 28.414 14.278
228 HB3 GLU 27 HB3 GLU 27 14.638 26.677 14.206
229 HG2 GLU 27 HG2 GLU 27 13.700 26.991 11.872
230 HG3 GLU 27 HG3 GLU 27 14.181 28.692 11.965
231 H GLY 28 H GLY 28 13.263 30.036 15.617
232 HA2 GLY 28 HA2 GLY 28 12.707 32.260 15.376
233 HA3 GLY 28 HA3 GLY 28 12.600 31.958 13.647
234 H GLY 29 H GLY 29 10.450 30.312 15.909
235 HA2 GLY 29 HA2 GLY 29 8.195 30.557 16.380
236 HA3 GLY 29 HA3 GLY 29 8.193 32.144 15.620
237 H ALA 30 H ALA 30 9.366 29.524 13.617
238 HA ALA 30 HA ALA 30 6.720 28.927 12.430
239 HB1 ALA 30 HB1 ALA 30 7.444 29.601 10.186
240 HB2 ALA 30 HB2 ALA 30 7.531 30.998 11.285
241 HB3 ALA 30 HB3 ALA 30 9.015 30.134 10.822
242 H VAL 31 H VAL 31 6.717 27.132 10.998
243 HA VAL 31 HA VAL 31 9.179 25.423 11.073
244 HB VAL 31 HB VAL 31 6.347 24.530 10.483
245 HG11 VAL 31 HG11 VAL 31 7.494 22.230 10.500
246 HG12 VAL 31 HG12 VAL 31 7.835 23.225 9.076
247 HG13 VAL 31 HG13 VAL 31 9.046 23.076 10.368
248 HG21 VAL 31 HG21 VAL 31 6.979 24.896 12.899
249 HG22 VAL 31 HG22 VAL 31 6.601 23.210 12.514
250 HG23 VAL 31 HG23 VAL 31 8.297 23.737 12.699
251 H ARG 32 H ARG 32 10.257 24.985 9.278
252 HA ARG 32 HA ARG 32 9.190 25.855 6.608
253 HB2 ARG 32 HB2 ARG 32 12.044 25.825 7.647
254 HB3 ARG 32 HB3 ARG 32 11.611 26.129 5.967
255 HG2 ARG 32 HG2 ARG 32 10.592 28.209 6.436
256 HG3 ARG 32 HG3 ARG 32 10.396 27.832 8.148
257 HD2 ARG 32 HD2 ARG 32 13.080 27.716 8.100
258 HD3 ARG 32 HD3 ARG 32 12.859 28.717 6.659
259 HE ARG 32 HE ARG 32 12.363 30.501 8.071
260 HH11 ARG 32 HH11 ARG 32 11.728 27.565 9.938
261 HH12 ARG 32 HH12 ARG 32 11.419 28.503 11.386
262 HH21 ARG 32 HH21 ARG 32 12.001 31.551 10.051
263 HH22 ARG 32 HH22 ARG 32 11.645 30.563 11.464
264 H VAL 33 H VAL 33 9.616 24.517 4.854
265 HA VAL 33 HA VAL 33 10.635 21.758 5.379
266 HB VAL 33 HB VAL 33 8.094 22.310 3.831
267 HG11 VAL 33 HG11 VAL 33 9.170 20.281 3.079
268 HG12 VAL 33 HG12 VAL 33 9.335 19.714 4.748
269 HG13 VAL 33 HG13 VAL 33 7.726 19.872 4.011
270 HG21 VAL 33 HG21 VAL 33 6.853 21.219 5.693
271 HG22 VAL 33 HG22 VAL 33 8.332 21.243 6.674
272 HG23 VAL 33 HG23 VAL 33 7.557 22.763 6.176
273 H THR 34 H THR 34 11.773 20.871 3.709
274 HA THR 34 HA THR 34 11.915 22.351 1.098
275 HB THR 34 HB THR 34 14.178 20.909 2.512
276 HG1 THR 34 HG1 THR 34 14.992 22.946 2.895
277 HG21 THR 34 HG21 THR 34 14.581 20.883 0.118
278 HG22 THR 34 HG22 THR 34 14.131 22.599 -0.012
279 HG23 THR 34 HG23 THR 34 15.613 22.114 0.844
280 H THR 35 H THR 35 12.039 21.118 -0.785
281 HA THR 35 HA THR 35 11.662 18.147 -0.542
282 HB THR 35 HB THR 35 9.952 18.201 -2.241
283 HG1 THR 35 HG1 THR 35 10.202 21.021 -2.109
284 HG21 THR 35 HG21 THR 35 9.185 18.465 0.100
285 HG22 THR 35 HG22 THR 35 9.184 20.229 -0.104
286 HG23 THR 35 HG23 THR 35 8.101 19.203 -1.079
287 H LEU 36 H LEU 36 11.985 16.957 -2.558
288 HA LEU 36 HA LEU 36 14.513 17.643 -3.735
289 HB2 LEU 36 HB2 LEU 36 14.167 15.606 -5.130
290 HB3 LEU 36 HB3 LEU 36 14.101 15.380 -3.398
291 HG LEU 36 HG LEU 36 11.710 15.116 -3.423
292 HD11 LEU 36 HD11 LEU 36 10.445 14.909 -5.577
293 HD12 LEU 36 HD12 LEU 36 10.910 16.557 -5.178
294 HD13 LEU 36 HD13 LEU 36 11.826 15.656 -6.415
295 HD21 LEU 36 HD21 LEU 36 13.172 13.155 -3.942
296 HD22 LEU 36 HD22 LEU 36 11.574 13.019 -4.680
297 HD23 LEU 36 HD23 LEU 36 12.967 13.485 -5.670
298 H PHE 37 H PHE 37 11.569 18.949 -4.627
299 HA PHE 37 HA PHE 37 12.199 19.376 -7.461
300 HB2 PHE 37 HB2 PHE 37 10.172 20.746 -5.671
301 HB3 PHE 37 HB3 PHE 37 10.214 20.784 -7.427
302 HD1 PHE 37 HD1 PHE 37 10.189 18.368 -8.593
303 HD2 PHE 37 HD2 PHE 37 8.697 19.213 -4.640
304 HE1 PHE 37 HE1 PHE 37 8.787 16.309 -8.680
305 HE2 PHE 37 HE2 PHE 37 7.288 17.167 -4.734
306 HZ PHE 37 HZ PHE 37 7.340 15.707 -6.747
307 H ASP 38 H ASP 38 13.688 20.469 -4.768
308 HA ASP 38 HA ASP 38 14.834 22.216 -4.025
309 HB2 ASP 38 HB2 ASP 38 14.838 23.419 -6.798
310 HB3 ASP 38 HB3 ASP 38 15.872 23.850 -5.453
311 H GLU 39 H GLU 39 11.794 22.244 -4.400
312 HA GLU 39 HA GLU 39 11.182 25.099 -3.934
313 HB2 GLU 39 HB2 GLU 39 9.466 22.598 -4.027
314 HB3 GLU 39 HB3 GLU 39 8.843 24.173 -3.549
315 HG2 GLU 39 HG2 GLU 39 10.083 23.479 -6.230
316 HG3 GLU 39 HG3 GLU 39 8.364 23.694 -5.891
317 H GLU 40 H GLU 40 10.084 25.805 -2.124
318 HA GLU 40 HA GLU 40 10.553 24.378 0.427
319 HB2 GLU 40 HB2 GLU 40 11.525 27.201 -0.153
320 HB3 GLU 40 HB3 GLU 40 11.429 26.472 1.461
321 HG2 GLU 40 HG2 GLU 40 13.023 24.713 0.780
322 HG3 GLU 40 HG3 GLU 40 13.117 25.405 -0.839
323 H HIS 41 H HIS 41 9.320 25.002 2.137
324 HA HIS 41 HA HIS 41 6.976 26.802 1.648
325 HB2 HIS 41 HB2 HIS 41 6.824 24.092 3.008
326 HB3 HIS 41 HB3 HIS 41 5.499 25.195 2.627
327 HD2 HIS 41 HD2 HIS 41 7.594 22.394 1.159
328 HE1 HIS 41 HE1 HIS 41 5.048 23.680 -2.011
329 HE2 HIS 41 HE2 HIS 41 6.683 21.886 -1.267
330 H ALA 42 H ALA 42 6.038 27.711 3.582
331 HA ALA 42 HA ALA 42 7.511 27.364 6.122
332 HB1 ALA 42 HB1 ALA 42 7.251 30.048 4.716
333 HB2 ALA 42 HB2 ALA 42 7.884 29.793 6.356
334 HB3 ALA 42 HB3 ALA 42 8.755 29.127 4.965
335 H PHE 43 H PHE 43 6.342 27.674 7.906
336 HA PHE 43 HA PHE 43 3.509 28.622 7.749
337 HB2 PHE 43 HB2 PHE 43 4.476 26.002 8.931
338 HB3 PHE 43 HB3 PHE 43 2.821 26.608 8.934
339 HD1 PHE 43 HD1 PHE 43 5.424 24.896 7.032
340 HD2 PHE 43 HD2 PHE 43 1.552 26.797 6.746
341 HE1 PHE 43 HE1 PHE 43 5.069 23.859 4.809
342 HE2 PHE 43 HE2 PHE 43 1.195 25.745 4.530
343 HZ PHE 43 HZ PHE 43 2.960 24.293 3.538
344 HA PRO 44 HA PRO 44 5.339 30.581 11.483
345 HB2 PRO 44 HB2 PRO 44 2.919 32.301 11.018
346 HB3 PRO 44 HB3 PRO 44 4.578 32.774 11.507
347 HG2 PRO 44 HG2 PRO 44 3.784 33.111 8.938
348 HG3 PRO 44 HG3 PRO 44 5.404 32.437 9.279
349 HD2 PRO 44 HD2 PRO 44 2.866 30.932 8.578
350 HD3 PRO 44 HD3 PRO 44 4.504 30.749 7.887
351 H GLY 45 H GLY 45 4.751 30.507 13.631
352 HA2 GLY 45 HA2 GLY 45 3.478 30.192 15.533
353 HA3 GLY 45 HA3 GLY 45 2.028 29.976 14.550
354 H LEU 46 H LEU 46 4.535 27.870 13.552
355 HA LEU 46 HA LEU 46 3.351 25.604 15.096
356 HB2 LEU 46 HB2 LEU 46 4.664 25.576 12.369
357 HB3 LEU 46 HB3 LEU 46 4.027 24.169 13.229
358 HG LEU 46 HG LEU 46 2.416 26.484 12.089
359 HD11 LEU 46 HD11 LEU 46 1.542 24.765 10.606
360 HD12 LEU 46 HD12 LEU 46 3.310 24.730 10.510
361 HD13 LEU 46 HD13 LEU 46 2.453 23.505 11.451
362 HD21 LEU 46 HD21 LEU 46 0.417 25.133 12.740
363 HD22 LEU 46 HD22 LEU 46 1.467 24.040 13.668
364 HD23 LEU 46 HD23 LEU 46 1.291 25.754 14.139
365 H ALA 47 H ALA 47 4.616 23.800 15.551
366 HA ALA 47 HA ALA 47 7.515 23.850 15.281
367 HB1 ALA 47 HB1 ALA 47 7.214 24.864 17.512
368 HB2 ALA 47 HB2 ALA 47 6.181 23.496 17.999
369 HB3 ALA 47 HB3 ALA 47 7.912 23.238 17.654
370 H ILE 48 H ILE 48 8.423 21.585 15.748
371 HA ILE 48 HA ILE 48 6.640 19.567 14.608
372 HB ILE 48 HB ILE 48 9.476 19.363 15.650
373 HG12 ILE 48 HG12 ILE 48 8.721 19.180 12.724
374 HG13 ILE 48 HG13 ILE 48 8.871 20.763 13.438
375 HG21 ILE 48 HG21 ILE 48 7.762 17.348 14.114
376 HG22 ILE 48 HG22 ILE 48 9.514 17.199 14.329
377 HG23 ILE 48 HG23 ILE 48 8.455 17.149 15.730
378 HD11 ILE 48 HD11 ILE 48 11.058 18.659 13.393
379 HD12 ILE 48 HD12 ILE 48 10.991 20.148 12.444
380 HD13 ILE 48 HD13 ILE 48 11.182 20.240 14.203
381 H GLY 49 H GLY 49 5.332 18.255 15.675
382 HA2 GLY 49 HA2 GLY 49 5.323 18.128 18.638
383 HA3 GLY 49 HA3 GLY 49 4.103 17.522 17.523
384 H ARG 50 H ARG 50 5.548 15.885 15.844
385 HA ARG 50 HA ARG 50 7.370 14.140 17.283
386 HB2 ARG 50 HB2 ARG 50 6.119 12.107 17.225
387 HB3 ARG 50 HB3 ARG 50 5.219 13.278 18.176
388 HG2 ARG 50 HG2 ARG 50 3.562 13.526 16.443
389 HG3 ARG 50 HG3 ARG 50 4.570 12.657 15.264
390 HD2 ARG 50 HD2 ARG 50 4.486 10.635 16.715
391 HD3 ARG 50 HD3 ARG 50 3.364 11.465 17.803
392 HE ARG 50 HE ARG 50 1.994 11.711 15.533
393 HH11 ARG 50 HH11 ARG 50 3.665 8.790 16.663
394 HH12 ARG 50 HH12 ARG 50 2.583 7.766 15.761
395 HH21 ARG 50 HH21 ARG 50 0.697 10.302 14.421
396 HH22 ARG 50 HH22 ARG 50 0.975 8.588 14.531
397 H VAL 51 H VAL 51 8.175 12.367 16.038
398 HA VAL 51 HA VAL 51 7.683 12.463 13.117
399 HB VAL 51 HB VAL 51 10.497 12.219 14.219
400 HG11 VAL 51 HG11 VAL 51 10.202 11.031 12.131
401 HG12 VAL 51 HG12 VAL 51 9.379 12.416 11.406
402 HG13 VAL 51 HG13 VAL 51 11.108 12.515 11.814
403 HG21 VAL 51 HG21 VAL 51 10.951 14.430 13.248
404 HG22 VAL 51 HG22 VAL 51 9.222 14.638 12.887
405 HG23 VAL 51 HG23 VAL 51 9.794 14.540 14.567
406 H ASP 52 H ASP 52 7.163 10.553 12.401
407 HA ASP 52 HA ASP 52 7.705 8.106 14.041
408 HB2 ASP 52 HB2 ASP 52 5.352 8.788 13.878
409 HB3 ASP 52 HB3 ASP 52 5.441 8.811 12.118
410 H LEU 53 H LEU 53 9.674 7.476 13.170
411 HA LEU 53 HA LEU 53 10.356 7.711 10.393
412 HB2 LEU 53 HB2 LEU 53 11.684 6.114 12.630
413 HB3 LEU 53 HB3 LEU 53 12.351 6.389 11.041
414 HG LEU 53 HG LEU 53 13.472 7.798 12.528
415 HD11 LEU 53 HD11 LEU 53 13.171 9.985 11.499
416 HD12 LEU 53 HD12 LEU 53 12.999 8.707 10.295
417 HD13 LEU 53 HD13 LEU 53 11.556 9.528 10.925
418 HD21 LEU 53 HD21 LEU 53 12.559 9.491 13.925
419 HD22 LEU 53 HD22 LEU 53 10.914 9.192 13.362
420 HD23 LEU 53 HD23 LEU 53 11.776 7.961 14.323
421 H ARG 54 H ARG 54 8.583 5.260 12.030
422 HA ARG 54 HA ARG 54 9.109 3.003 10.319
423 HB2 ARG 54 HB2 ARG 54 6.663 3.831 11.894
424 HB3 ARG 54 HB3 ARG 54 6.796 2.269 11.084
425 HG2 ARG 54 HG2 ARG 54 8.613 1.553 12.436
426 HG3 ARG 54 HG3 ARG 54 8.897 3.165 13.109
427 HD2 ARG 54 HD2 ARG 54 6.419 1.465 13.622
428 HD3 ARG 54 HD3 ARG 54 7.808 1.649 14.716
429 HE ARG 54 HE ARG 54 6.504 4.168 13.858
430 HH11 ARG 54 HH11 ARG 54 6.655 1.883 16.559
431 HH12 ARG 54 HH12 ARG 54 6.015 3.105 17.635
432 HH21 ARG 54 HH21 ARG 54 5.814 5.482 15.163
433 HH22 ARG 54 HH22 ARG 54 5.649 5.204 16.896
434 H SER 55 H SER 55 7.165 5.869 9.796
435 HA SER 55 HA SER 55 6.590 4.933 7.010
436 HB2 SER 55 HB2 SER 55 4.637 4.659 8.547
437 HB3 SER 55 HB3 SER 55 4.607 6.413 8.779
438 HG SER 55 HG SER 55 4.342 6.591 6.465
439 H GLY 56 H GLY 56 8.303 7.167 8.682
440 HA2 GLY 56 HA2 GLY 56 9.368 9.098 8.058
441 HA3 GLY 56 HA3 GLY 56 8.680 8.934 6.448
442 H VAL 57 H VAL 57 6.445 9.104 9.174
443 HA VAL 57 HA VAL 57 5.305 11.565 8.032
444 HB VAL 57 HB VAL 57 4.331 9.806 10.303
445 HG11 VAL 57 HG11 VAL 57 2.196 11.063 10.053
446 HG12 VAL 57 HG12 VAL 57 3.502 12.067 10.681
447 HG13 VAL 57 HG13 VAL 57 3.019 12.217 8.977
448 HG21 VAL 57 HG21 VAL 57 3.328 10.178 7.443
449 HG22 VAL 57 HG22 VAL 57 4.214 8.761 8.050
450 HG23 VAL 57 HG23 VAL 57 2.609 9.135 8.690
451 H ILE 58 H ILE 58 5.755 13.521 8.669
452 HA ILE 58 HA ILE 58 6.848 14.122 11.395
453 HB ILE 58 HB ILE 58 7.056 15.557 8.737
454 HG12 ILE 58 HG12 ILE 58 9.263 14.504 10.560
455 HG13 ILE 58 HG13 ILE 58 8.605 13.601 9.184
456 HG21 ILE 58 HG21 ILE 58 6.733 17.275 10.434
457 HG22 ILE 58 HG22 ILE 58 7.960 16.518 11.503
458 HG23 ILE 58 HG23 ILE 58 8.413 17.272 9.956
459 HD11 ILE 58 HD11 ILE 58 10.209 16.163 9.097
460 HD12 ILE 58 HD12 ILE 58 10.606 14.581 8.429
461 HD13 ILE 58 HD13 ILE 58 9.299 15.541 7.695
462 H SER 59 H SER 59 5.373 14.854 12.784
463 HA SER 59 HA SER 59 2.847 16.093 11.773
464 HB2 SER 59 HB2 SER 59 2.630 14.020 13.110
465 HB3 SER 59 HB3 SER 59 3.464 14.829 14.454
466 HG SER 59 HG SER 59 1.140 14.920 14.609
467 H LEU 60 H LEU 60 2.548 18.210 12.060
468 HA LEU 60 HA LEU 60 4.270 19.697 13.990
469 HB2 LEU 60 HB2 LEU 60 2.611 20.838 11.744
470 HB3 LEU 60 HB3 LEU 60 3.827 21.660 12.715
471 HG LEU 60 HG LEU 60 4.314 19.511 10.607
472 HD11 LEU 60 HD11 LEU 60 5.533 21.328 9.480
473 HD12 LEU 60 HD12 LEU 60 3.857 21.795 9.750
474 HD13 LEU 60 HD13 LEU 60 5.118 22.442 10.804
475 HD21 LEU 60 HD21 LEU 60 6.310 20.873 12.446
476 HD22 LEU 60 HD22 LEU 60 5.954 19.126 12.377
477 HD23 LEU 60 HD23 LEU 60 6.733 19.925 11.000
478 H ILE 61 H ILE 61 3.462 21.211 15.365
479 HA ILE 61 HA ILE 61 0.554 21.292 15.979
480 HB ILE 61 HB ILE 61 1.043 21.055 18.386
481 HG12 ILE 61 HG12 ILE 61 3.154 19.735 18.998
482 HG13 ILE 61 HG13 ILE 61 3.866 20.343 17.512
483 HG21 ILE 61 HG21 ILE 61 1.873 18.610 16.785
484 HG22 ILE 61 HG22 ILE 61 1.168 18.657 18.412
485 HG23 ILE 61 HG23 ILE 61 0.205 19.185 17.018
486 HD11 ILE 61 HD11 ILE 61 3.732 22.641 18.370
487 HD12 ILE 61 HD12 ILE 61 2.785 22.085 19.768
488 HD13 ILE 61 HD13 ILE 61 4.479 21.607 19.589
489 H GLU 62 H GLU 62 0.003 23.126 17.465
490 HA GLU 62 HA GLU 62 1.272 25.569 16.522
491 HB2 GLU 62 HB2 GLU 62 -0.835 25.079 18.645
492 HB3 GLU 62 HB3 GLU 62 -0.275 26.683 18.117
493 HG2 GLU 62 HG2 GLU 62 -0.964 26.133 15.781
494 HG3 GLU 62 HG3 GLU 62 -1.620 24.593 16.349
495 H GLU 63 H GLU 63 2.881 26.724 17.393
496 HA GLU 63 HA GLU 63 4.463 25.555 19.506
497 HB2 GLU 63 HB2 GLU 63 6.079 27.229 19.012
498 HB3 GLU 63 HB3 GLU 63 5.366 26.666 17.525
499 HG2 GLU 63 HG2 GLU 63 5.301 28.864 17.009
500 HG3 GLU 63 HG3 GLU 63 3.769 28.804 17.857
501 H GLN 64 H GLN 64 1.894 27.797 19.645
502 HA GLN 64 HA GLN 64 2.240 27.909 22.603
503 HB2 GLN 64 HB2 GLN 64 1.297 30.186 20.839
504 HB3 GLN 64 HB3 GLN 64 0.940 30.079 22.575
505 HG2 GLN 64 HG2 GLN 64 3.304 30.135 23.143
506 HG3 GLN 64 HG3 GLN 64 3.780 30.041 21.444
507 HE21 GLN 64 HE21 GLN 64 3.967 31.954 20.259
508 HE22 GLN 64 HE22 GLN 64 3.500 33.529 20.914
509 H ASN 65 H ASN 65 0.767 26.622 23.408
510 HA ASN 65 HA ASN 65 -1.970 26.479 22.255
511 HB2 ASN 65 HB2 ASN 65 -1.784 24.017 22.183
512 HB3 ASN 65 HB3 ASN 65 -0.620 24.800 21.133
513 HD21 ASN 65 HD21 ASN 65 1.492 24.035 21.273
514 HD22 ASN 65 HD22 ASN 65 2.094 23.164 22.683
515 H ARG 66 H ARG 66 -0.414 27.177 24.994
516 HA ARG 66 HA ARG 66 -1.884 25.565 26.970
517 HB2 ARG 66 HB2 ARG 66 -0.058 27.986 27.263
518 HB3 ARG 66 HB3 ARG 66 -0.810 27.121 28.608
519 HG2 ARG 66 HG2 ARG 66 0.366 25.023 27.927
520 HG3 ARG 66 HG3 ARG 66 1.101 25.876 26.579
521 HD2 ARG 66 HD2 ARG 66 2.741 25.745 28.345
522 HD3 ARG 66 HD3 ARG 66 2.248 27.415 28.137
523 HE ARG 66 HE ARG 66 1.290 27.435 30.255
524 HH11 ARG 66 HH11 ARG 66 0.922 26.718 32.305
525 HH12 ARG 66 HH12 ARG 66 1.182 25.041 32.694
526 HH21 ARG 66 HH21 ARG 66 2.135 24.103 29.547
527 HH22 ARG 66 HH22 ARG 66 1.861 23.599 31.192
528 H1 GLY -3 H1 GLY -3 10.736 -12.901 4.874
529 H2 GLY -3 H2 GLY -3 9.188 -12.555 5.280
530 H3 GLY -3 H3 GLY -3 10.427 -11.879 6.113
531 HA2 GLY -3 HA2 GLY -3 9.805 -11.375 3.282
532 HA3 GLY -3 HA3 GLY -3 9.454 -10.268 4.620
533 HA PRO -2 HA PRO -2 13.880 -9.733 2.869
534 HB2 PRO -2 HB2 PRO -2 13.594 -7.516 1.297
535 HB3 PRO -2 HB3 PRO -2 13.310 -9.183 0.703
536 HG2 PRO -2 HG2 PRO -2 11.242 -7.186 1.700
537 HG3 PRO -2 HG3 PRO -2 11.202 -8.149 0.189
538 HD2 PRO -2 HD2 PRO -2 9.896 -8.952 2.441
539 HD3 PRO -2 HD3 PRO -2 10.694 -10.134 1.361
540 H GLY -1 H GLY -1 15.373 -8.217 3.663
541 HA2 GLY -1 HA2 GLY -1 14.607 -6.713 6.016
542 HA3 GLY -1 HA3 GLY -1 16.211 -6.795 5.296
543 H SER 0 H SER 0 14.252 -4.584 6.282
544 HA SER 0 HA SER 0 15.230 -2.532 4.473
545 HB2 SER 0 HB2 SER 0 13.149 -3.290 3.300
546 HB3 SER 0 HB3 SER 0 12.218 -2.874 4.749
547 HG SER 0 HG SER 0 12.277 -1.196 3.119
548 H MET 1 H MET 1 14.947 -0.385 5.332
549 HA MET 1 HA MET 1 13.900 0.018 8.011
550 HB2 MET 1 HB2 MET 1 15.984 0.630 9.063
551 HB3 MET 1 HB3 MET 1 15.986 -1.070 8.625
552 HG2 MET 1 HG2 MET 1 17.420 1.105 7.038
553 HG3 MET 1 HG3 MET 1 18.136 0.171 8.340
554 HE1 MET 1 HE1 MET 1 18.544 0.564 4.839
555 HE2 MET 1 HE2 MET 1 18.166 -0.954 4.008
556 HE3 MET 1 HE3 MET 1 16.849 0.067 4.626
557 H CYS 2 H CYS 2 13.589 2.114 8.539
558 HA CYS 2 HA CYS 2 14.579 4.259 6.733
559 HB2 CYS 2 HB2 CYS 2 11.734 3.945 7.780
560 HB3 CYS 2 HB3 CYS 2 12.316 5.292 6.791
561 HG CYS 2 HG CYS 2 12.951 3.883 4.689
562 H MET 3 H MET 3 15.160 3.279 9.581
563 HA MET 3 HA MET 3 14.259 5.304 11.434
564 HB2 MET 3 HB2 MET 3 16.432 3.192 11.595
565 HB3 MET 3 HB3 MET 3 15.990 4.236 12.940
566 HG2 MET 3 HG2 MET 3 13.777 3.394 13.046
567 HG3 MET 3 HG3 MET 3 13.915 2.548 11.512
568 HE1 MET 3 HE1 MET 3 16.479 0.887 11.464
569 HE2 MET 3 HE2 MET 3 15.866 -0.616 12.193
570 HE3 MET 3 HE3 MET 3 14.825 0.318 11.102
571 H ALA 4 H ALA 4 15.390 6.842 12.543
572 HA ALA 4 HA ALA 4 17.642 8.155 11.080
573 HB1 ALA 4 HB1 ALA 4 15.545 9.231 13.021
574 HB2 ALA 4 HB2 ALA 4 16.824 10.196 12.267
575 HB3 ALA 4 HB3 ALA 4 15.580 9.454 11.258
576 H LYS 5 H LYS 5 18.979 9.563 12.655
577 HA LYS 5 HA LYS 5 19.260 8.364 15.359
578 HB2 LYS 5 HB2 LYS 5 21.592 8.904 15.507
579 HB3 LYS 5 HB3 LYS 5 21.288 7.693 14.282
580 HG2 LYS 5 HG2 LYS 5 21.618 10.603 13.465
581 HG3 LYS 5 HG3 LYS 5 23.021 9.638 13.940
582 HD2 LYS 5 HD2 LYS 5 22.355 7.895 12.212
583 HD3 LYS 5 HD3 LYS 5 21.140 9.044 11.626
584 HE2 LYS 5 HE2 LYS 5 22.951 10.732 11.263
585 HE3 LYS 5 HE3 LYS 5 24.131 9.559 11.865
586 HZ1 LYS 5 HZ1 LYS 5 24.150 9.482 9.497
587 HZ2 LYS 5 HZ2 LYS 5 23.439 8.091 9.974
588 HZ3 LYS 5 HZ3 LYS 5 22.533 9.331 9.378
589 H VAL 6 H VAL 6 19.389 9.697 17.039
590 HA VAL 6 HA VAL 6 18.513 12.510 16.576
591 HB VAL 6 HB VAL 6 18.389 10.925 19.162
592 HG11 VAL 6 HG11 VAL 6 16.655 12.602 19.778
593 HG12 VAL 6 HG12 VAL 6 18.242 13.321 19.556
594 HG13 VAL 6 HG13 VAL 6 17.020 13.491 18.290
595 HG21 VAL 6 HG21 VAL 6 16.195 11.311 17.093
596 HG22 VAL 6 HG22 VAL 6 16.984 9.776 17.537
597 HG23 VAL 6 HG23 VAL 6 15.981 10.622 18.709
598 H VAL 7 H VAL 7 19.598 14.251 17.478
599 HA VAL 7 HA VAL 7 21.904 13.743 19.279
600 HB VAL 7 HB VAL 7 22.866 13.998 17.062
601 HG11 VAL 7 HG11 VAL 7 21.176 15.407 15.953
602 HG12 VAL 7 HG12 VAL 7 21.635 16.789 16.979
603 HG13 VAL 7 HG13 VAL 7 22.787 16.107 15.813
604 HG21 VAL 7 HG21 VAL 7 24.078 14.900 19.067
605 HG22 VAL 7 HG22 VAL 7 24.498 15.704 17.548
606 HG23 VAL 7 HG23 VAL 7 23.428 16.513 18.698
607 H LEU 8 H LEU 8 22.248 15.172 20.858
608 HA LEU 8 HA LEU 8 20.675 17.653 21.100
609 HB2 LEU 8 HB2 LEU 8 19.675 16.993 23.211
610 HB3 LEU 8 HB3 LEU 8 19.126 15.974 21.900
611 HG LEU 8 HG LEU 8 21.450 14.930 23.499
612 HD11 LEU 8 HD11 LEU 8 18.618 14.965 24.594
613 HD12 LEU 8 HD12 LEU 8 20.000 14.082 25.281
614 HD13 LEU 8 HD13 LEU 8 20.014 15.840 25.268
615 HD21 LEU 8 HD21 LEU 8 20.246 12.795 23.246
616 HD22 LEU 8 HD22 LEU 8 18.879 13.643 22.487
617 HD23 LEU 8 HD23 LEU 8 20.450 13.569 21.665
618 H THR 9 H THR 9 21.286 18.998 22.877
619 HA THR 9 HA THR 9 24.054 18.518 23.919
620 HB THR 9 HB THR 9 22.829 21.237 23.360
621 HG1 THR 9 HG1 THR 9 23.129 20.171 21.436
622 HG21 THR 9 HG21 THR 9 25.707 20.338 23.881
623 HG22 THR 9 HG22 THR 9 25.183 21.986 23.476
624 HG23 THR 9 HG23 THR 9 24.676 21.268 24.999
625 H LYS 10 H LYS 10 24.376 18.670 26.033
626 HA LYS 10 HA LYS 10 22.084 18.960 27.882
627 HB2 LYS 10 HB2 LYS 10 24.983 18.120 28.336
628 HB3 LYS 10 HB3 LYS 10 23.699 18.095 29.552
629 HG2 LYS 10 HG2 LYS 10 22.385 16.534 28.067
630 HG3 LYS 10 HG3 LYS 10 23.791 16.425 27.001
631 HD2 LYS 10 HD2 LYS 10 23.758 15.659 29.954
632 HD3 LYS 10 HD3 LYS 10 23.592 14.527 28.605
633 HE2 LYS 10 HE2 LYS 10 25.828 15.189 27.765
634 HE3 LYS 10 HE3 LYS 10 26.007 16.319 29.119
635 HZ1 LYS 10 HZ1 LYS 10 25.715 13.378 29.420
636 HZ2 LYS 10 HZ2 LYS 10 27.109 14.207 29.583
637 HZ3 LYS 10 HZ3 LYS 10 25.890 14.444 30.643
638 H ALA 11 H ALA 11 22.264 20.214 29.841
639 HA ALA 11 HA ALA 11 22.985 22.936 29.450
640 HB1 ALA 11 HB1 ALA 11 22.393 23.171 31.837
641 HB2 ALA 11 HB2 ALA 11 21.212 22.157 30.980
642 HB3 ALA 11 HB3 ALA 11 22.434 21.412 32.040
643 H ASP 12 H ASP 12 24.896 20.278 30.728
644 HA ASP 12 HA ASP 12 27.043 21.919 31.818
645 HB2 ASP 12 HB2 ASP 12 26.349 19.571 32.539
646 HB3 ASP 12 HB3 ASP 12 27.093 18.969 31.062
647 H GLY 13 H GLY 13 26.148 21.520 28.646
648 HA2 GLY 13 HA2 GLY 13 27.216 22.274 26.730
649 HA3 GLY 13 HA3 GLY 13 28.757 22.317 27.580
650 H GLY 14 H GLY 14 27.632 19.265 28.173
651 HA2 GLY 14 HA2 GLY 14 29.231 17.943 26.089
652 HA3 GLY 14 HA3 GLY 14 28.311 17.165 27.379
653 H ARG 15 H ARG 15 28.275 16.094 24.851
654 HA ARG 15 HA ARG 15 25.470 16.562 23.930
655 HB2 ARG 15 HB2 ARG 15 27.969 16.335 22.219
656 HB3 ARG 15 HB3 ARG 15 26.354 15.960 21.594
657 HG2 ARG 15 HG2 ARG 15 25.551 18.180 22.241
658 HG3 ARG 15 HG3 ARG 15 27.161 18.632 22.829
659 HD2 ARG 15 HD2 ARG 15 28.078 18.525 20.615
660 HD3 ARG 15 HD3 ARG 15 26.615 17.744 19.964
661 HE ARG 15 HE ARG 15 25.597 20.045 20.991
662 HH11 ARG 15 HH11 ARG 15 28.157 19.560 18.644
663 HH12 ARG 15 HH12 ARG 15 27.840 21.085 17.865
664 HH21 ARG 15 HH21 ARG 15 25.262 21.933 19.987
665 HH22 ARG 15 HH22 ARG 15 26.208 22.397 18.603
666 H VAL 16 H VAL 16 24.374 14.915 23.000
667 HA VAL 16 HA VAL 16 25.352 12.133 23.502
668 HB VAL 16 HB VAL 16 22.642 13.228 24.346
669 HG11 VAL 16 HG11 VAL 16 22.375 10.926 23.541
670 HG12 VAL 16 HG12 VAL 16 23.748 10.388 24.534
671 HG13 VAL 16 HG13 VAL 16 22.249 10.969 25.293
672 HG21 VAL 16 HG21 VAL 16 23.360 12.569 26.629
673 HG22 VAL 16 HG22 VAL 16 24.972 12.172 26.003
674 HG23 VAL 16 HG23 VAL 16 24.368 13.847 25.959
675 H GLU 17 H GLU 17 24.691 10.618 22.042
676 HA GLU 17 HA GLU 17 22.876 11.427 19.829
677 HB2 GLU 17 HB2 GLU 17 25.583 10.098 19.514
678 HB3 GLU 17 HB3 GLU 17 24.351 10.178 18.249
679 HG2 GLU 17 HG2 GLU 17 24.451 12.634 18.274
680 HG3 GLU 17 HG3 GLU 17 25.628 12.602 19.596
681 H ILE 18 H ILE 18 21.567 9.846 19.005
682 HA ILE 18 HA ILE 18 21.569 7.166 20.345
683 HB ILE 18 HB ILE 18 19.173 9.019 20.129
684 HG12 ILE 18 HG12 ILE 18 20.699 8.272 22.661
685 HG13 ILE 18 HG13 ILE 18 20.832 9.827 21.839
686 HG21 ILE 18 HG21 ILE 18 18.024 7.307 21.513
687 HG22 ILE 18 HG22 ILE 18 18.606 6.597 20.008
688 HG23 ILE 18 HG23 ILE 18 19.491 6.317 21.524
689 HD11 ILE 18 HD11 ILE 18 19.385 10.171 23.609
690 HD12 ILE 18 HD12 ILE 18 18.383 10.190 22.148
691 HD13 ILE 18 HD13 ILE 18 18.377 8.759 23.219
692 H GLY 19 H GLY 19 21.684 5.717 18.752
693 HA2 GLY 19 HA2 GLY 19 20.812 6.344 16.024
694 HA3 GLY 19 HA3 GLY 19 21.720 4.942 16.545
695 H ASP 20 H ASP 20 19.679 4.882 14.679
696 HA ASP 20 HA ASP 20 17.953 3.611 13.997
697 HB2 ASP 20 HB2 ASP 20 18.763 1.790 16.264
698 HB3 ASP 20 HB3 ASP 20 17.894 1.350 14.795
699 H VAL 21 H VAL 21 16.961 5.683 15.278
700 HA VAL 21 HA VAL 21 14.983 4.897 17.275
701 HB VAL 21 HB VAL 21 16.260 7.082 17.215
702 HG11 VAL 21 HG11 VAL 21 15.368 8.974 16.021
703 HG12 VAL 21 HG12 VAL 21 15.760 7.709 14.846
704 HG13 VAL 21 HG13 VAL 21 14.073 7.993 15.321
705 HG21 VAL 21 HG21 VAL 21 13.253 7.199 17.511
706 HG22 VAL 21 HG22 VAL 21 14.412 6.646 18.747
707 HG23 VAL 21 HG23 VAL 21 14.426 8.324 18.209
708 H LEU 22 H LEU 22 12.939 4.315 16.965
709 HA LEU 22 HA LEU 22 11.768 4.114 14.254
710 HB2 LEU 22 HB2 LEU 22 10.850 3.233 17.029
711 HB3 LEU 22 HB3 LEU 22 9.875 3.041 15.579
712 HG LEU 22 HG LEU 22 12.593 1.729 15.979
713 HD11 LEU 22 HD11 LEU 22 9.738 0.692 16.269
714 HD12 LEU 22 HD12 LEU 22 11.171 -0.344 16.229
715 HD13 LEU 22 HD13 LEU 22 10.961 0.823 17.552
716 HD21 LEU 22 HD21 LEU 22 10.415 1.186 13.912
717 HD22 LEU 22 HD22 LEU 22 11.931 2.039 13.573
718 HD23 LEU 22 HD23 LEU 22 11.969 0.346 14.064
719 H GLU 23 H GLU 23 11.328 5.956 17.264
720 HA GLU 23 HA GLU 23 9.694 7.938 15.861
721 HB2 GLU 23 HB2 GLU 23 8.008 6.300 16.454
722 HB3 GLU 23 HB3 GLU 23 8.539 6.298 18.145
723 HG2 GLU 23 HG2 GLU 23 7.797 8.628 18.404
724 HG3 GLU 23 HG3 GLU 23 7.431 8.730 16.684
725 H VAL 24 H VAL 24 9.734 9.943 16.780
726 HA VAL 24 HA VAL 24 10.759 10.252 19.560
727 HB VAL 24 HB VAL 24 11.903 12.299 19.055
728 HG11 VAL 24 HG11 VAL 24 13.145 10.139 18.842
729 HG12 VAL 24 HG12 VAL 24 12.899 10.191 17.090
730 HG13 VAL 24 HG13 VAL 24 13.840 11.470 17.890
731 HG21 VAL 24 HG21 VAL 24 11.401 11.767 16.112
732 HG22 VAL 24 HG22 VAL 24 10.592 13.043 17.039
733 HG23 VAL 24 HG23 VAL 24 12.328 13.117 16.806
734 H ARG 25 H ARG 25 9.715 11.794 20.805
735 HA ARG 25 HA ARG 25 7.436 13.330 19.611
736 HB2 ARG 25 HB2 ARG 25 7.269 11.641 22.142
737 HB3 ARG 25 HB3 ARG 25 6.001 12.678 21.492
738 HG2 ARG 25 HG2 ARG 25 5.879 11.196 19.463
739 HG3 ARG 25 HG3 ARG 25 7.082 10.139 20.204
740 HD2 ARG 25 HD2 ARG 25 5.581 9.848 22.170
741 HD3 ARG 25 HD3 ARG 25 4.337 10.813 21.340
742 HE ARG 25 HE ARG 25 4.933 8.839 19.506
743 HH11 ARG 25 HH11 ARG 25 3.666 8.750 22.772
744 HH12 ARG 25 HH12 ARG 25 3.042 7.133 22.566
745 HH21 ARG 25 HH21 ARG 25 4.368 6.751 19.403
746 HH22 ARG 25 HH22 ARG 25 3.327 6.064 20.639
747 H ALA 26 H ALA 26 7.135 15.313 20.460
748 HA ALA 26 HA ALA 26 8.715 16.160 22.848
749 HB1 ALA 26 HB1 ALA 26 7.140 17.798 20.815
750 HB2 ALA 26 HB2 ALA 26 8.054 18.440 22.196
751 HB3 ALA 26 HB3 ALA 26 8.908 17.613 20.869
752 H GLU 27 H GLU 27 7.700 16.065 24.761
753 HA GLU 27 HA GLU 27 4.759 16.282 25.012
754 HB2 GLU 27 HB2 GLU 27 5.254 13.935 24.227
755 HB3 GLU 27 HB3 GLU 27 6.234 13.697 25.680
756 HG2 GLU 27 HG2 GLU 27 4.190 14.151 27.072
757 HG3 GLU 27 HG3 GLU 27 3.268 14.397 25.580
758 H GLY 28 H GLY 28 4.202 17.142 26.951
759 HA2 GLY 28 HA2 GLY 28 4.244 17.746 29.159
760 HA3 GLY 28 HA3 GLY 28 5.250 16.317 29.437
761 H GLY 29 H GLY 29 6.367 19.012 27.405
762 HA2 GLY 29 HA2 GLY 29 8.036 20.625 27.763
763 HA3 GLY 29 HA3 GLY 29 8.002 20.275 29.494
764 H ALA 30 H ALA 30 8.465 17.607 27.288
765 HA ALA 30 HA ALA 30 11.418 17.591 27.519
766 HB1 ALA 30 HB1 ALA 30 11.347 15.292 28.419
767 HB2 ALA 30 HB2 ALA 30 10.436 16.371 29.501
768 HB3 ALA 30 HB3 ALA 30 9.576 15.305 28.369
769 H VAL 31 H VAL 31 12.363 15.797 26.170
770 HA VAL 31 HA VAL 31 10.555 14.929 23.941
771 HB VAL 31 HB VAL 31 13.540 15.362 23.834
772 HG11 VAL 31 HG11 VAL 31 11.759 13.901 21.820
773 HG12 VAL 31 HG12 VAL 31 13.376 14.512 21.463
774 HG13 VAL 31 HG13 VAL 31 13.185 13.245 22.668
775 HG21 VAL 31 HG21 VAL 31 11.248 16.328 22.054
776 HG22 VAL 31 HG22 VAL 31 11.937 17.267 23.384
777 HG23 VAL 31 HG23 VAL 31 12.951 16.845 21.993
778 H ARG 32 H ARG 32 10.298 12.871 23.504
779 HA ARG 32 HA ARG 32 11.755 10.780 25.078
780 HB2 ARG 32 HB2 ARG 32 8.845 10.793 24.174
781 HB3 ARG 32 HB3 ARG 32 9.683 9.382 24.841
782 HG2 ARG 32 HG2 ARG 32 10.048 10.524 26.979
783 HG3 ARG 32 HG3 ARG 32 9.387 12.022 26.325
784 HD2 ARG 32 HD2 ARG 32 7.663 11.026 27.652
785 HD3 ARG 32 HD3 ARG 32 7.203 10.881 25.943
786 HE ARG 32 HE ARG 32 8.622 8.526 27.025
787 HH11 ARG 32 HH11 ARG 32 5.378 9.886 26.616
788 HH12 ARG 32 HH12 ARG 32 4.664 8.301 26.831
789 HH21 ARG 32 HH21 ARG 32 7.694 6.710 27.258
790 HH22 ARG 32 HH22 ARG 32 5.939 6.503 27.206
791 H VAL 33 H VAL 33 12.490 9.052 23.973
792 HA VAL 33 HA VAL 33 12.045 8.893 21.023
793 HB VAL 33 HB VAL 33 14.314 8.785 20.470
794 HG11 VAL 33 HG11 VAL 33 14.228 11.061 22.483
795 HG12 VAL 33 HG12 VAL 33 15.187 10.962 20.998
796 HG13 VAL 33 HG13 VAL 33 13.428 11.113 20.898
797 HG21 VAL 33 HG21 VAL 33 16.175 9.023 22.065
798 HG22 VAL 33 HG22 VAL 33 15.022 8.879 23.411
799 HG23 VAL 33 HG23 VAL 33 15.291 7.520 22.290
800 H THR 34 H THR 34 12.042 6.865 20.155
801 HA THR 34 HA THR 34 12.443 4.535 22.012
802 HB THR 34 HB THR 34 10.107 5.019 20.135
803 HG1 THR 34 HG1 THR 34 9.947 6.193 22.040
804 HG21 THR 34 HG21 THR 34 10.584 2.609 20.245
805 HG22 THR 34 HG22 THR 34 10.685 2.696 22.026
806 HG23 THR 34 HG23 THR 34 9.140 2.983 21.194
807 H THR 35 H THR 35 13.468 2.773 21.182
808 HA THR 35 HA THR 35 14.308 2.876 18.302
809 HB THR 35 HB THR 35 16.367 1.858 18.918
810 HG1 THR 35 HG1 THR 35 16.789 1.466 21.161
811 HG21 THR 35 HG21 THR 35 16.229 4.324 19.285
812 HG22 THR 35 HG22 THR 35 15.852 4.029 21.000
813 HG23 THR 35 HG23 THR 35 17.410 3.515 20.324
814 H LEU 36 H LEU 36 15.053 0.777 17.404
815 HA LEU 36 HA LEU 36 12.930 -1.065 17.232
816 HB2 LEU 36 HB2 LEU 36 14.215 -2.168 15.640
817 HB3 LEU 36 HB3 LEU 36 14.698 -0.496 15.511
818 HG LEU 36 HG LEU 36 16.278 -2.763 16.843
819 HD11 LEU 36 HD11 LEU 36 17.823 -2.449 14.980
820 HD12 LEU 36 HD12 LEU 36 16.193 -2.785 14.355
821 HD13 LEU 36 HD13 LEU 36 16.832 -1.118 14.340
822 HD21 LEU 36 HD21 LEU 36 18.165 -1.076 16.886
823 HD22 LEU 36 HD22 LEU 36 16.968 0.183 16.536
824 HD23 LEU 36 HD23 LEU 36 16.876 -0.737 18.047
825 H PHE 37 H PHE 37 15.320 -1.034 19.684
826 HA PHE 37 HA PHE 37 15.145 -3.896 20.318
827 HB2 PHE 37 HB2 PHE 37 16.340 -1.602 21.908
828 HB3 PHE 37 HB3 PHE 37 16.612 -3.312 22.188
829 HD1 PHE 37 HD1 PHE 37 17.327 -4.576 19.771
830 HD2 PHE 37 HD2 PHE 37 18.252 -0.551 21.021
831 HE1 PHE 37 HE1 PHE 37 19.285 -4.557 18.258
832 HE2 PHE 37 HE2 PHE 37 20.226 -0.538 19.521
833 HZ PHE 37 HZ PHE 37 20.739 -2.534 18.115
834 H ASP 38 H ASP 38 12.866 -1.606 20.568
835 HA ASP 38 HA ASP 38 11.143 -1.045 21.827
836 HB2 ASP 38 HB2 ASP 38 11.443 -3.599 23.408
837 HB3 ASP 38 HB3 ASP 38 10.035 -2.554 23.325
838 H GLU 39 H GLU 39 14.030 -0.527 22.692
839 HA GLU 39 HA GLU 39 13.663 0.291 25.502
840 HB2 GLU 39 HB2 GLU 39 15.921 0.662 23.504
841 HB3 GLU 39 HB3 GLU 39 15.924 1.417 25.092
842 HG2 GLU 39 HG2 GLU 39 15.837 -1.565 24.545
843 HG3 GLU 39 HG3 GLU 39 17.230 -0.625 25.074
844 H GLU 40 H GLU 40 13.900 2.412 26.198
845 HA GLU 40 HA GLU 40 13.048 4.576 24.392
846 HB2 GLU 40 HB2 GLU 40 10.993 3.459 25.075
847 HB3 GLU 40 HB3 GLU 40 11.391 3.636 26.779
848 HG2 GLU 40 HG2 GLU 40 11.366 6.160 25.156
849 HG3 GLU 40 HG3 GLU 40 9.829 5.320 25.288
850 H HIS 41 H HIS 41 13.632 6.589 25.055
851 HA HIS 41 HA HIS 41 14.924 6.977 27.712
852 HB2 HIS 41 HB2 HIS 41 16.145 7.937 25.104
853 HB3 HIS 41 HB3 HIS 41 16.799 8.151 26.717
854 HD2 HIS 41 HD2 HIS 41 16.740 5.738 23.808
855 HE1 HIS 41 HE1 HIS 41 18.789 3.673 26.932
856 HE2 HIS 41 HE2 HIS 41 18.213 3.649 24.454
857 H ALA 42 H ALA 42 14.962 9.194 28.409
858 HA ALA 42 HA ALA 42 13.178 11.072 26.974
859 HB1 ALA 42 HB1 ALA 42 11.760 9.717 28.499
860 HB2 ALA 42 HB2 ALA 42 12.771 10.211 29.874
861 HB3 ALA 42 HB3 ALA 42 11.814 11.418 28.985
862 H PHE 43 H PHE 43 13.531 13.173 27.283
863 HA PHE 43 HA PHE 43 15.867 14.063 28.930
864 HB2 PHE 43 HB2 PHE 43 15.415 14.600 25.982
865 HB3 PHE 43 HB3 PHE 43 16.743 15.215 26.973
866 HD1 PHE 43 HD1 PHE 43 18.419 13.571 27.950
867 HD2 PHE 43 HD2 PHE 43 15.474 12.405 25.018
868 HE1 PHE 43 HE1 PHE 43 19.659 11.449 27.537
869 HE2 PHE 43 HE2 PHE 43 16.710 10.305 24.615
870 HZ PHE 43 HZ PHE 43 18.788 9.806 25.894
871 HA PRO 44 HA PRO 44 12.503 17.032 29.755
872 HB2 PRO 44 HB2 PRO 44 14.371 17.640 32.033
873 HB3 PRO 44 HB3 PRO 44 12.584 17.490 32.042
874 HG2 PRO 44 HG2 PRO 44 14.103 15.459 32.955
875 HG3 PRO 44 HG3 PRO 44 12.707 15.109 31.885
876 HD2 PRO 44 HD2 PRO 44 15.640 15.335 31.147
877 HD3 PRO 44 HD3 PRO 44 14.468 14.061 30.705
878 H GLY 45 H GLY 45 12.258 19.207 29.428
879 HA2 GLY 45 HA2 GLY 45 12.806 21.434 29.123
880 HA3 GLY 45 HA3 GLY 45 14.516 21.086 29.355
881 H LEU 46 H LEU 46 13.345 18.930 27.033
882 HA LEU 46 HA LEU 46 14.310 20.672 24.808
883 HB2 LEU 46 HB2 LEU 46 14.245 17.646 24.993
884 HB3 LEU 46 HB3 LEU 46 14.850 18.591 23.636
885 HG LEU 46 HG LEU 46 16.068 18.453 26.420
886 HD11 LEU 46 HD11 LEU 46 17.924 17.388 25.292
887 HD12 LEU 46 HD12 LEU 46 16.436 16.516 24.898
888 HD13 LEU 46 HD13 LEU 46 17.152 17.612 23.705
889 HD21 LEU 46 HD21 LEU 46 16.959 20.079 23.993
890 HD22 LEU 46 HD22 LEU 46 16.435 20.734 25.565
891 HD23 LEU 46 HD23 LEU 46 17.933 19.808 25.451
892 H ALA 47 H ALA 47 13.491 20.419 22.751
893 HA ALA 47 HA ALA 47 10.951 19.049 22.213
894 HB1 ALA 47 HB1 ALA 47 10.224 21.328 22.787
895 HB2 ALA 47 HB2 ALA 47 11.390 22.009 21.628
896 HB3 ALA 47 HB3 ALA 47 10.023 21.032 21.054
897 H ILE 48 H ILE 48 10.625 18.835 19.812
898 HA ILE 48 HA ILE 48 13.156 18.140 18.525
899 HB ILE 48 HB ILE 48 10.325 18.068 17.456
900 HG12 ILE 48 HG12 ILE 48 11.881 15.593 18.284
901 HG13 ILE 48 HG13 ILE 48 11.025 16.511 19.514
902 HG21 ILE 48 HG21 ILE 48 11.947 18.083 15.605
903 HG22 ILE 48 HG22 ILE 48 12.921 16.826 16.404
904 HG23 ILE 48 HG23 ILE 48 11.311 16.440 15.778
905 HD11 ILE 48 HD11 ILE 48 9.707 15.322 17.043
906 HD12 ILE 48 HD12 ILE 48 9.621 14.716 18.710
907 HD13 ILE 48 HD13 ILE 48 8.896 16.279 18.306
908 H GLY 49 H GLY 49 14.383 19.426 17.285
909 HA2 GLY 49 HA2 GLY 49 13.421 22.161 16.598
910 HA3 GLY 49 HA3 GLY 49 15.091 21.610 16.763
911 H ARG 50 H ARG 50 15.329 19.507 15.062
912 HA ARG 50 HA ARG 50 14.356 20.377 12.375
913 HB2 ARG 50 HB2 ARG 50 17.317 20.011 13.018
914 HB3 ARG 50 HB3 ARG 50 16.622 20.279 11.422
915 HG2 ARG 50 HG2 ARG 50 15.791 22.525 12.206
916 HG3 ARG 50 HG3 ARG 50 16.669 22.267 13.725
917 HD2 ARG 50 HD2 ARG 50 18.776 22.039 12.525
918 HD3 ARG 50 HD3 ARG 50 17.951 22.147 10.957
919 HE ARG 50 HE ARG 50 17.274 24.515 12.300
920 HH11 ARG 50 HH11 ARG 50 20.280 23.076 11.169
921 HH12 ARG 50 HH12 ARG 50 20.990 24.642 10.878
922 HH21 ARG 50 HH21 ARG 50 18.155 26.360 11.878
923 HH22 ARG 50 HH22 ARG 50 19.834 26.511 11.330
924 H VAL 51 H VAL 51 14.630 18.937 10.701
925 HA VAL 51 HA VAL 51 15.475 16.151 11.281
926 HB VAL 51 HB VAL 51 12.963 16.760 9.677
927 HG11 VAL 51 HG11 VAL 51 14.106 14.168 10.832
928 HG12 VAL 51 HG12 VAL 51 12.577 14.318 9.940
929 HG13 VAL 51 HG13 VAL 51 14.102 14.642 9.120
930 HG21 VAL 51 HG21 VAL 51 11.640 15.831 11.523
931 HG22 VAL 51 HG22 VAL 51 13.092 15.810 12.557
932 HG23 VAL 51 HG23 VAL 51 12.414 17.342 11.973
933 H ASP 52 H ASP 52 16.834 15.434 9.708
934 HA ASP 52 HA ASP 52 16.663 16.594 6.953
935 HB2 ASP 52 HB2 ASP 52 18.589 17.648 7.988
936 HB3 ASP 52 HB3 ASP 52 19.187 16.078 8.562
937 H LEU 53 H LEU 53 15.973 14.995 5.695
938 HA LEU 53 HA LEU 53 16.314 12.191 6.461
939 HB2 LEU 53 HB2 LEU 53 14.944 13.500 4.067
940 HB3 LEU 53 HB3 LEU 53 14.937 11.788 4.440
941 HG LEU 53 HG LEU 53 12.887 12.553 5.082
942 HD11 LEU 53 HD11 LEU 53 13.938 11.047 6.745
943 HD12 LEU 53 HD12 LEU 53 14.446 12.465 7.698
944 HD13 LEU 53 HD13 LEU 53 12.733 12.103 7.486
945 HD21 LEU 53 HD21 LEU 53 14.056 14.813 6.750
946 HD22 LEU 53 HD22 LEU 53 13.237 14.958 5.184
947 HD23 LEU 53 HD23 LEU 53 12.356 14.388 6.600
948 H ARG 54 H ARG 54 18.139 14.345 4.506
949 HA ARG 54 HA ARG 54 19.300 12.404 2.660
950 HB2 ARG 54 HB2 ARG 54 20.258 15.106 3.673
951 HB3 ARG 54 HB3 ARG 54 21.050 14.201 2.381
952 HG2 ARG 54 HG2 ARG 54 19.174 14.371 0.909
953 HG3 ARG 54 HG3 ARG 54 18.115 14.975 2.191
954 HD2 ARG 54 HD2 ARG 54 20.535 16.485 1.125
955 HD3 ARG 54 HD3 ARG 54 18.854 16.752 0.614
956 HE ARG 54 HE ARG 54 19.243 16.887 3.521
957 HH11 ARG 54 HH11 ARG 54 19.214 18.975 0.674
958 HH12 ARG 54 HH12 ARG 54 18.841 20.363 1.665
959 HH21 ARG 54 HH21 ARG 54 18.836 18.511 4.586
960 HH22 ARG 54 HH22 ARG 54 18.530 20.113 3.905
961 H SER 55 H SER 55 20.438 13.796 5.763
962 HA SER 55 HA SER 55 22.530 11.729 6.037
963 HB2 SER 55 HB2 SER 55 21.652 13.811 8.066
964 HB3 SER 55 HB3 SER 55 23.170 12.903 8.024
965 HG SER 55 HG SER 55 22.253 15.006 6.379
966 H GLY 56 H GLY 56 19.221 12.096 7.024
967 HA2 GLY 56 HA2 GLY 56 17.816 10.686 8.227
968 HA3 GLY 56 HA3 GLY 56 19.162 9.558 8.491
969 H VAL 57 H VAL 57 18.960 13.041 9.329
970 HA VAL 57 HA VAL 57 19.663 12.341 12.156
971 HB VAL 57 HB VAL 57 20.491 14.684 10.431
972 HG11 VAL 57 HG11 VAL 57 21.830 15.465 12.384
973 HG12 VAL 57 HG12 VAL 57 20.097 15.623 12.648
974 HG13 VAL 57 HG13 VAL 57 20.982 14.284 13.415
975 HG21 VAL 57 HG21 VAL 57 22.753 13.849 10.872
976 HG22 VAL 57 HG22 VAL 57 22.106 12.577 11.929
977 HG23 VAL 57 HG23 VAL 57 21.767 12.548 10.184
978 H ILE 58 H ILE 58 18.609 13.157 13.818
979 HA ILE 58 HA ILE 58 16.507 15.266 13.427
980 HB ILE 58 HB ILE 58 16.519 12.782 15.171
981 HG12 ILE 58 HG12 ILE 58 14.482 13.889 13.190
982 HG13 ILE 58 HG13 ILE 58 15.669 12.648 12.817
983 HG21 ILE 58 HG21 ILE 58 14.594 15.122 15.424
984 HG22 ILE 58 HG22 ILE 58 14.512 13.576 16.309
985 HG23 ILE 58 HG23 ILE 58 15.829 14.684 16.625
986 HD11 ILE 58 HD11 ILE 58 14.645 11.176 14.569
987 HD12 ILE 58 HD12 ILE 58 13.348 12.394 14.753
988 HD13 ILE 58 HD13 ILE 58 13.581 11.574 13.204
989 H SER 59 H SER 59 16.873 17.079 14.561
990 HA SER 59 HA SER 59 19.003 17.065 16.691
991 HB2 SER 59 HB2 SER 59 18.141 19.365 14.925
992 HB3 SER 59 HB3 SER 59 19.447 19.377 16.121
993 HG SER 59 HG SER 59 20.623 17.976 14.860
994 H LEU 60 H LEU 60 18.403 17.596 18.686
995 HA LEU 60 HA LEU 60 15.703 18.746 19.156
996 HB2 LEU 60 HB2 LEU 60 17.628 17.653 21.214
997 HB3 LEU 60 HB3 LEU 60 15.923 18.037 21.415
998 HG LEU 60 HG LEU 60 17.090 15.731 19.806
999 HD11 LEU 60 HD11 LEU 60 15.837 14.365 21.448
1000 HD12 LEU 60 HD12 LEU 60 17.006 15.422 22.256
1001 HD13 LEU 60 HD13 LEU 60 15.291 15.854 22.253
1002 HD21 LEU 60 HD21 LEU 60 15.136 16.529 18.569
1003 HD22 LEU 60 HD22 LEU 60 14.743 15.038 19.408
1004 HD23 LEU 60 HD23 LEU 60 14.183 16.599 20.070
1005 H ILE 61 H ILE 61 15.334 20.456 20.562
1006 HA ILE 61 HA ILE 61 17.539 22.367 21.171
1007 HB ILE 61 HB ILE 61 16.161 24.245 20.310
1008 HG12 ILE 61 HG12 ILE 61 14.530 23.646 18.402
1009 HG13 ILE 61 HG13 ILE 61 14.348 22.079 19.180
1010 HG21 ILE 61 HG21 ILE 61 18.053 23.278 19.049
1011 HG22 ILE 61 HG22 ILE 61 16.915 22.250 18.154
1012 HG23 ILE 61 HG23 ILE 61 16.832 24.020 18.010
1013 HD11 ILE 61 HD11 ILE 61 13.430 23.170 21.185
1014 HD12 ILE 61 HD12 ILE 61 13.777 24.774 20.486
1015 HD13 ILE 61 HD13 ILE 61 12.565 23.704 19.752
1016 H GLU 62 H GLU 62 16.777 24.136 22.683
1017 HA GLU 62 HA GLU 62 15.375 22.910 24.912
1018 HB2 GLU 62 HB2 GLU 62 16.322 25.752 24.485
1019 HB3 GLU 62 HB3 GLU 62 15.639 25.124 25.992
1020 HG2 GLU 62 HG2 GLU 62 17.444 23.415 26.091
1021 HG3 GLU 62 HG3 GLU 62 18.202 24.139 24.668
1022 H GLU 63 H GLU 63 13.305 23.045 25.561
1023 HA GLU 63 HA GLU 63 11.320 23.990 23.680
1024 HB2 GLU 63 HB2 GLU 63 9.717 22.967 25.105
1025 HB3 GLU 63 HB3 GLU 63 11.128 21.950 25.004
1026 HG2 GLU 63 HG2 GLU 63 10.822 21.743 27.217
1027 HG3 GLU 63 HG3 GLU 63 11.826 23.179 27.266
1028 H GLN 64 H GLN 64 12.767 25.516 26.421
1029 HA GLN 64 HA GLN 64 11.324 28.014 25.855
1030 HB2 GLN 64 HB2 GLN 64 11.359 26.709 28.611
1031 HB3 GLN 64 HB3 GLN 64 11.166 28.445 28.387
1032 HG2 GLN 64 HG2 GLN 64 9.137 28.099 27.021
1033 HG3 GLN 64 HG3 GLN 64 9.275 26.355 27.246
1034 HE21 GLN 64 HE21 GLN 64 9.175 25.508 29.513
1035 HE22 GLN 64 HE22 GLN 64 8.209 26.409 30.689
1036 H ASN 65 H ASN 65 12.508 29.853 26.376
1037 HA ASN 65 HA ASN 65 15.387 29.417 27.047
1038 HB2 ASN 65 HB2 ASN 65 14.261 31.455 25.103
1039 HB3 ASN 65 HB3 ASN 65 15.955 31.062 25.374
1040 HD21 ASN 65 HD21 ASN 65 16.317 28.443 25.090
1041 HD22 ASN 65 HD22 ASN 65 15.614 27.855 23.591
1042 H ARG 66 H ARG 66 12.843 30.547 28.586
1043 HA ARG 66 HA ARG 66 13.566 33.261 29.338
1044 HB2 ARG 66 HB2 ARG 66 11.634 31.258 30.572
1045 HB3 ARG 66 HB3 ARG 66 11.836 32.935 31.106
1046 HG2 ARG 66 HG2 ARG 66 11.171 33.743 28.836
1047 HG3 ARG 66 HG3 ARG 66 10.946 32.073 28.309
1048 HD2 ARG 66 HD2 ARG 66 8.771 32.970 28.862
1049 HD3 ARG 66 HD3 ARG 66 9.201 31.760 30.067
1050 HE ARG 66 HE ARG 66 9.281 33.373 31.724
1051 HH11 ARG 66 HH11 ARG 66 9.033 35.084 28.662
1052 HH12 ARG 66 HH12 ARG 66 8.729 36.613 29.451
1053 HH21 ARG 66 HH21 ARG 66 8.892 35.339 32.635
1054 HH22 ARG 66 HH22 ARG 66 8.648 36.741 31.633
Start of MODEL 8
1 H1 GLY -3 H1 GLY -3 18.322 -2.453 -5.040
2 H2 GLY -3 H2 GLY -3 17.307 -1.184 -5.215
3 H3 GLY -3 H3 GLY -3 18.819 -0.945 -4.627
4 HA2 GLY -3 HA2 GLY -3 19.816 -1.572 -6.725
5 HA3 GLY -3 HA3 GLY -3 18.179 -1.854 -7.345
6 HA PRO -2 HA PRO -2 19.277 2.532 -8.439
7 HB2 PRO -2 HB2 PRO -2 18.211 2.509 -10.969
8 HB3 PRO -2 HB3 PRO -2 19.857 1.924 -10.591
9 HG2 PRO -2 HG2 PRO -2 17.317 0.287 -10.889
10 HG3 PRO -2 HG3 PRO -2 18.921 -0.014 -11.628
11 HD2 PRO -2 HD2 PRO -2 18.124 -1.285 -9.371
12 HD3 PRO -2 HD3 PRO -2 19.831 -0.761 -9.577
13 H GLY -1 H GLY -1 17.930 4.249 -8.154
14 HA2 GLY -1 HA2 GLY -1 16.046 5.504 -7.782
15 HA3 GLY -1 HA3 GLY -1 15.120 4.326 -8.714
16 H SER 0 H SER 0 16.669 2.863 -6.029
17 HA SER 0 HA SER 0 14.109 2.302 -4.744
18 HB2 SER 0 HB2 SER 0 16.962 1.534 -4.024
19 HB3 SER 0 HB3 SER 0 15.511 0.917 -3.218
20 HG SER 0 HG SER 0 15.912 0.723 -6.036
21 H MET 1 H MET 1 16.435 4.785 -4.224
22 HA MET 1 HA MET 1 16.093 5.165 -1.386
23 HB2 MET 1 HB2 MET 1 17.221 7.268 -1.691
24 HB3 MET 1 HB3 MET 1 18.042 6.004 -2.610
25 HG2 MET 1 HG2 MET 1 16.931 6.816 -4.686
26 HG3 MET 1 HG3 MET 1 16.169 8.110 -3.760
27 HE1 MET 1 HE1 MET 1 19.075 10.517 -2.907
28 HE2 MET 1 HE2 MET 1 17.329 10.207 -2.851
29 HE3 MET 1 HE3 MET 1 18.434 9.253 -1.838
30 H CYS 2 H CYS 2 14.940 6.712 -0.232
31 HA CYS 2 HA CYS 2 12.859 8.344 -1.496
32 HB2 CYS 2 HB2 CYS 2 10.996 7.244 -0.304
33 HB3 CYS 2 HB3 CYS 2 11.788 6.129 -1.423
34 HG CYS 2 HG CYS 2 12.135 6.414 1.872
35 H MET 3 H MET 3 11.569 9.510 0.178
36 HA MET 3 HA MET 3 13.090 10.144 2.672
37 HB2 MET 3 HB2 MET 3 11.918 12.189 0.736
38 HB3 MET 3 HB3 MET 3 12.649 12.515 2.309
39 HG2 MET 3 HG2 MET 3 14.314 13.084 0.830
40 HG3 MET 3 HG3 MET 3 14.802 11.535 1.493
41 HE1 MET 3 HE1 MET 3 13.348 13.443 -1.643
42 HE2 MET 3 HE2 MET 3 13.248 12.145 -2.855
43 HE3 MET 3 HE3 MET 3 12.144 12.146 -1.477
44 H ALA 4 H ALA 4 11.730 11.688 4.066
45 HA ALA 4 HA ALA 4 9.246 10.374 4.766
46 HB1 ALA 4 HB1 ALA 4 10.889 11.297 6.394
47 HB2 ALA 4 HB2 ALA 4 10.515 12.942 5.807
48 HB3 ALA 4 HB3 ALA 4 9.281 11.977 6.622
49 H LYS 5 H LYS 5 7.437 11.942 5.463
50 HA LYS 5 HA LYS 5 6.857 14.160 3.578
51 HB2 LYS 5 HB2 LYS 5 4.513 13.421 3.327
52 HB3 LYS 5 HB3 LYS 5 5.665 12.310 2.599
53 HG2 LYS 5 HG2 LYS 5 5.465 10.805 4.581
54 HG3 LYS 5 HG3 LYS 5 4.239 11.894 5.274
55 HD2 LYS 5 HD2 LYS 5 2.785 11.512 3.330
56 HD3 LYS 5 HD3 LYS 5 4.005 10.492 2.559
57 HE2 LYS 5 HE2 LYS 5 2.653 9.896 5.238
58 HE3 LYS 5 HE3 LYS 5 2.152 9.232 3.679
59 HZ1 LYS 5 HZ1 LYS 5 4.804 8.758 4.936
60 HZ2 LYS 5 HZ2 LYS 5 3.591 7.686 4.850
61 HZ3 LYS 5 HZ3 LYS 5 4.328 8.170 3.479
62 H VAL 6 H VAL 6 5.691 15.839 4.432
63 HA VAL 6 HA VAL 6 5.510 15.903 7.418
64 HB VAL 6 HB VAL 6 5.396 18.285 5.562
65 HG11 VAL 6 HG11 VAL 6 5.924 18.041 8.548
66 HG12 VAL 6 HG12 VAL 6 6.061 19.539 7.601
67 HG13 VAL 6 HG13 VAL 6 4.494 18.764 7.771
68 HG21 VAL 6 HG21 VAL 6 7.762 18.722 6.229
69 HG22 VAL 6 HG22 VAL 6 7.827 17.101 6.954
70 HG23 VAL 6 HG23 VAL 6 7.569 17.307 5.202
71 H VAL 7 H VAL 7 3.599 16.362 8.469
72 HA VAL 7 HA VAL 7 1.279 17.356 6.913
73 HB VAL 7 HB VAL 7 0.919 14.954 7.147
74 HG11 VAL 7 HG11 VAL 7 0.494 13.904 9.318
75 HG12 VAL 7 HG12 VAL 7 2.140 14.529 9.274
76 HG13 VAL 7 HG13 VAL 7 0.880 15.418 10.167
77 HG21 VAL 7 HG21 VAL 7 -1.324 15.008 8.008
78 HG22 VAL 7 HG22 VAL 7 -1.014 16.468 8.964
79 HG23 VAL 7 HG23 VAL 7 -1.026 16.546 7.186
80 H LEU 8 H LEU 8 -0.071 18.747 7.970
81 HA LEU 8 HA LEU 8 0.422 19.484 10.784
82 HB2 LEU 8 HB2 LEU 8 0.904 21.817 10.259
83 HB3 LEU 8 HB3 LEU 8 2.152 20.743 9.692
84 HG LEU 8 HG LEU 8 0.094 21.308 7.625
85 HD11 LEU 8 HD11 LEU 8 0.090 23.480 8.776
86 HD12 LEU 8 HD12 LEU 8 1.865 23.578 8.579
87 HD13 LEU 8 HD13 LEU 8 0.800 23.578 7.154
88 HD21 LEU 8 HD21 LEU 8 2.070 21.685 6.218
89 HD22 LEU 8 HD22 LEU 8 3.126 21.633 7.633
90 HD23 LEU 8 HD23 LEU 8 2.245 20.179 7.115
91 H THR 9 H THR 9 -1.043 20.931 11.669
92 HA THR 9 HA THR 9 -3.500 21.574 10.081
93 HB THR 9 HB THR 9 -3.428 21.329 13.105
94 HG1 THR 9 HG1 THR 9 -3.083 19.294 12.214
95 HG21 THR 9 HG21 THR 9 -5.261 22.713 12.185
96 HG22 THR 9 HG22 THR 9 -5.709 21.405 11.079
97 HG23 THR 9 HG23 THR 9 -5.897 21.183 12.826
98 H LYS 10 H LYS 10 -3.759 23.650 9.717
99 HA LYS 10 HA LYS 10 -1.893 25.676 10.715
100 HB2 LYS 10 HB2 LYS 10 -4.267 25.748 8.803
101 HB3 LYS 10 HB3 LYS 10 -3.203 27.130 9.130
102 HG2 LYS 10 HG2 LYS 10 -1.257 25.757 8.375
103 HG3 LYS 10 HG3 LYS 10 -2.377 24.477 7.892
104 HD2 LYS 10 HD2 LYS 10 -2.325 27.323 6.777
105 HD3 LYS 10 HD3 LYS 10 -1.605 25.911 6.030
106 HE2 LYS 10 HE2 LYS 10 -3.534 25.927 4.857
107 HE3 LYS 10 HE3 LYS 10 -4.056 24.903 6.196
108 HZ1 LYS 10 HZ1 LYS 10 -4.524 27.838 6.013
109 HZ2 LYS 10 HZ2 LYS 10 -5.642 26.719 5.648
110 HZ3 LYS 10 HZ3 LYS 10 -5.139 26.875 7.183
111 H ALA 11 H ALA 11 -2.684 27.799 11.467
112 HA ALA 11 HA ALA 11 -4.149 27.562 13.874
113 HB1 ALA 11 HB1 ALA 11 -3.878 30.006 13.971
114 HB2 ALA 11 HB2 ALA 11 -2.379 29.227 13.416
115 HB3 ALA 11 HB3 ALA 11 -3.436 30.048 12.247
116 H ASP 12 H ASP 12 -5.382 28.212 10.644
117 HA ASP 12 HA ASP 12 -8.018 29.132 11.580
118 HB2 ASP 12 HB2 ASP 12 -8.551 29.356 9.248
119 HB3 ASP 12 HB3 ASP 12 -7.013 30.134 9.594
120 H GLY 13 H GLY 13 -6.613 26.149 11.595
121 HA2 GLY 13 HA2 GLY 13 -7.583 24.103 12.055
122 HA3 GLY 13 HA3 GLY 13 -9.173 24.709 11.587
123 H GLY 14 H GLY 14 -7.088 25.448 9.020
124 HA2 GLY 14 HA2 GLY 14 -8.005 23.230 7.338
125 HA3 GLY 14 HA3 GLY 14 -6.892 24.527 6.892
126 H ARG 15 H ARG 15 -6.505 21.795 6.179
127 HA ARG 15 HA ARG 15 -3.990 21.157 7.670
128 HB2 ARG 15 HB2 ARG 15 -6.147 19.239 6.718
129 HB3 ARG 15 HB3 ARG 15 -4.470 18.726 7.026
130 HG2 ARG 15 HG2 ARG 15 -4.581 19.661 9.308
131 HG3 ARG 15 HG3 ARG 15 -6.289 20.073 9.062
132 HD2 ARG 15 HD2 ARG 15 -6.889 17.750 8.871
133 HD3 ARG 15 HD3 ARG 15 -5.189 17.247 8.787
134 HE ARG 15 HE ARG 15 -5.198 18.535 11.156
135 HH11 ARG 15 HH11 ARG 15 -7.250 15.911 10.030
136 HH12 ARG 15 HH12 ARG 15 -7.500 15.304 11.643
137 HH21 ARG 15 HH21 ARG 15 -5.596 17.776 13.138
138 HH22 ARG 15 HH22 ARG 15 -6.589 16.357 13.380
139 H VAL 16 H VAL 16 -2.290 20.301 6.637
140 HA VAL 16 HA VAL 16 -2.169 20.503 3.669
141 HB VAL 16 HB VAL 16 -0.290 21.997 5.530
142 HG11 VAL 16 HG11 VAL 16 -0.344 21.857 2.497
143 HG12 VAL 16 HG12 VAL 16 0.646 22.979 3.451
144 HG13 VAL 16 HG13 VAL 16 0.941 21.247 3.577
145 HG21 VAL 16 HG21 VAL 16 -2.396 23.214 5.383
146 HG22 VAL 16 HG22 VAL 16 -1.162 24.056 4.433
147 HG23 VAL 16 HG23 VAL 16 -2.393 23.071 3.615
148 H GLU 17 H GLU 17 -0.663 19.205 2.725
149 HA GLU 17 HA GLU 17 1.162 17.587 4.410
150 HB2 GLU 17 HB2 GLU 17 -0.640 16.529 2.207
151 HB3 GLU 17 HB3 GLU 17 0.732 15.646 2.886
152 HG2 GLU 17 HG2 GLU 17 -0.308 15.648 5.094
153 HG3 GLU 17 HG3 GLU 17 -1.668 16.612 4.497
154 H ILE 18 H ILE 18 3.156 17.150 3.530
155 HA ILE 18 HA ILE 18 3.811 18.215 0.806
156 HB ILE 18 HB ILE 18 5.354 18.710 3.369
157 HG12 ILE 18 HG12 ILE 18 4.257 20.870 1.529
158 HG13 ILE 18 HG13 ILE 18 3.273 20.203 2.831
159 HG21 ILE 18 HG21 ILE 18 6.913 20.038 1.911
160 HG22 ILE 18 HG22 ILE 18 6.937 18.324 1.533
161 HG23 ILE 18 HG23 ILE 18 6.034 19.446 0.493
162 HD11 ILE 18 HD11 ILE 18 5.955 21.537 3.264
163 HD12 ILE 18 HD12 ILE 18 4.353 22.212 3.579
164 HD13 ILE 18 HD13 ILE 18 4.923 20.817 4.521
165 H GLY 19 H GLY 19 4.459 16.504 -0.342
166 HA2 GLY 19 HA2 GLY 19 5.803 14.178 0.896
167 HA3 GLY 19 HA3 GLY 19 5.243 14.313 -0.764
168 H ASP 20 H ASP 20 7.702 13.247 -0.070
169 HA ASP 20 HA ASP 20 9.921 13.259 -0.515
170 HB2 ASP 20 HB2 ASP 20 9.061 14.995 -2.841
171 HB3 ASP 20 HB3 ASP 20 10.529 14.009 -2.731
172 H VAL 21 H VAL 21 9.551 14.912 1.543
173 HA VAL 21 HA VAL 21 10.856 17.494 1.146
174 HB VAL 21 HB VAL 21 9.160 17.320 2.798
175 HG11 VAL 21 HG11 VAL 21 10.867 15.228 4.185
176 HG12 VAL 21 HG12 VAL 21 9.559 16.110 4.989
177 HG13 VAL 21 HG13 VAL 21 9.191 15.090 3.602
178 HG21 VAL 21 HG21 VAL 21 11.765 17.675 4.306
179 HG22 VAL 21 HG22 VAL 21 11.085 18.878 3.175
180 HG23 VAL 21 HG23 VAL 21 10.166 18.412 4.604
181 H LEU 22 H LEU 22 12.953 18.070 1.459
182 HA LEU 22 HA LEU 22 14.967 15.907 1.943
183 HB2 LEU 22 HB2 LEU 22 15.226 18.751 0.899
184 HB3 LEU 22 HB3 LEU 22 16.573 17.646 1.160
185 HG LEU 22 HG LEU 22 14.304 17.242 -0.831
186 HD11 LEU 22 HD11 LEU 22 15.838 19.045 -1.463
187 HD12 LEU 22 HD12 LEU 22 17.237 17.977 -1.200
188 HD13 LEU 22 HD13 LEU 22 16.102 17.632 -2.505
189 HD21 LEU 22 HD21 LEU 22 15.125 15.063 -0.096
190 HD22 LEU 22 HD22 LEU 22 15.734 15.390 -1.712
191 HD23 LEU 22 HD23 LEU 22 16.804 15.584 -0.318
192 H GLU 23 H GLU 23 13.798 18.987 3.296
193 HA GLU 23 HA GLU 23 15.155 18.408 5.840
194 HB2 GLU 23 HB2 GLU 23 16.887 19.463 4.494
195 HB3 GLU 23 HB3 GLU 23 15.830 20.847 4.156
196 HG2 GLU 23 HG2 GLU 23 15.876 21.551 6.470
197 HG3 GLU 23 HG3 GLU 23 16.684 20.061 6.957
198 H VAL 24 H VAL 24 14.256 19.355 7.592
199 HA VAL 24 HA VAL 24 12.166 21.456 7.270
200 HB VAL 24 HB VAL 24 11.858 19.166 9.209
201 HG11 VAL 24 HG11 VAL 24 10.643 21.225 9.812
202 HG12 VAL 24 HG12 VAL 24 9.888 21.252 8.213
203 HG13 VAL 24 HG13 VAL 24 9.524 19.944 9.359
204 HG21 VAL 24 HG21 VAL 24 11.663 18.080 7.079
205 HG22 VAL 24 HG22 VAL 24 10.050 18.275 7.779
206 HG23 VAL 24 HG23 VAL 24 10.593 19.365 6.492
207 H ARG 25 H ARG 25 12.225 23.029 8.864
208 HA ARG 25 HA ARG 25 13.939 22.651 11.292
209 HB2 ARG 25 HB2 ARG 25 13.968 25.119 9.499
210 HB3 ARG 25 HB3 ARG 25 14.774 24.956 11.062
211 HG2 ARG 25 HG2 ARG 25 16.153 23.071 10.094
212 HG3 ARG 25 HG3 ARG 25 15.416 23.422 8.506
213 HD2 ARG 25 HD2 ARG 25 16.246 25.780 8.704
214 HD3 ARG 25 HD3 ARG 25 17.071 25.335 10.221
215 HE ARG 25 HE ARG 25 17.815 23.547 8.063
216 HH11 ARG 25 HH11 ARG 25 18.563 26.802 9.174
217 HH12 ARG 25 HH12 ARG 25 20.079 26.809 8.297
218 HH21 ARG 25 HH21 ARG 25 19.612 23.613 7.061
219 HH22 ARG 25 HH22 ARG 25 20.705 24.999 7.130
220 H ALA 26 H ALA 26 13.275 23.687 13.108
221 HA ALA 26 HA ALA 26 10.675 25.171 13.024
222 HB1 ALA 26 HB1 ALA 26 11.675 23.220 15.134
223 HB2 ALA 26 HB2 ALA 26 10.174 24.179 15.202
224 HB3 ALA 26 HB3 ALA 26 10.386 22.926 13.949
225 H GLU 27 H GLU 27 10.700 27.148 13.805
226 HA GLU 27 HA GLU 27 12.631 27.949 15.916
227 HB2 GLU 27 HB2 GLU 27 13.192 28.676 13.510
228 HB3 GLU 27 HB3 GLU 27 11.795 29.723 13.587
229 HG2 GLU 27 HG2 GLU 27 14.093 29.760 15.600
230 HG3 GLU 27 HG3 GLU 27 14.142 30.673 14.104
231 H GLY 28 H GLY 28 11.754 29.733 17.299
232 HA2 GLY 28 HA2 GLY 28 9.219 29.120 18.277
233 HA3 GLY 28 HA3 GLY 28 10.088 30.614 18.626
234 H GLY 29 H GLY 29 9.958 31.479 15.718
235 HA2 GLY 29 HA2 GLY 29 7.278 32.678 15.689
236 HA3 GLY 29 HA3 GLY 29 8.590 32.909 14.532
237 H ALA 30 H ALA 30 8.951 30.085 13.802
238 HA ALA 30 HA ALA 30 6.473 29.160 12.596
239 HB1 ALA 30 HB1 ALA 30 7.090 29.732 10.265
240 HB2 ALA 30 HB2 ALA 30 6.956 31.208 11.226
241 HB3 ALA 30 HB3 ALA 30 8.557 30.553 10.832
242 H VAL 31 H VAL 31 6.669 27.288 11.372
243 HA VAL 31 HA VAL 31 9.278 25.824 11.345
244 HB VAL 31 HB VAL 31 6.449 24.932 10.772
245 HG11 VAL 31 HG11 VAL 31 7.470 22.625 10.420
246 HG12 VAL 31 HG12 VAL 31 7.729 23.758 9.093
247 HG13 VAL 31 HG13 VAL 31 9.039 23.408 10.242
248 HG21 VAL 31 HG21 VAL 31 8.572 23.870 12.684
249 HG22 VAL 31 HG22 VAL 31 7.331 25.049 13.131
250 HG23 VAL 31 HG23 VAL 31 6.849 23.421 12.632
251 H ARG 32 H ARG 32 10.254 25.214 9.462
252 HA ARG 32 HA ARG 32 9.317 26.311 6.844
253 HB2 ARG 32 HB2 ARG 32 12.076 26.654 8.093
254 HB3 ARG 32 HB3 ARG 32 11.719 26.944 6.387
255 HG2 ARG 32 HG2 ARG 32 10.178 28.737 6.929
256 HG3 ARG 32 HG3 ARG 32 10.349 28.431 8.672
257 HD2 ARG 32 HD2 ARG 32 12.686 29.057 8.612
258 HD3 ARG 32 HD3 ARG 32 12.652 29.210 6.843
259 HE ARG 32 HE ARG 32 10.673 30.913 8.089
260 HH11 ARG 32 HH11 ARG 32 14.116 30.830 7.438
261 HH12 ARG 32 HH12 ARG 32 14.255 32.567 7.434
262 HH21 ARG 32 HH21 ARG 32 10.926 33.134 8.081
263 HH22 ARG 32 HH22 ARG 32 12.500 33.824 7.817
264 H VAL 33 H VAL 33 9.787 25.038 5.071
265 HA VAL 33 HA VAL 33 11.421 22.605 5.399
266 HB VAL 33 HB VAL 33 9.813 21.252 5.921
267 HG11 VAL 33 HG11 VAL 33 7.425 21.737 6.162
268 HG12 VAL 33 HG12 VAL 33 8.457 22.880 6.999
269 HG13 VAL 33 HG13 VAL 33 7.680 23.351 5.460
270 HG21 VAL 33 HG21 VAL 33 8.131 20.458 4.385
271 HG22 VAL 33 HG22 VAL 33 8.372 21.878 3.345
272 HG23 VAL 33 HG23 VAL 33 9.670 20.671 3.571
273 H THR 34 H THR 34 12.112 21.581 3.559
274 HA THR 34 HA THR 34 11.538 22.955 0.939
275 HB THR 34 HB THR 34 14.316 22.236 1.943
276 HG1 THR 34 HG1 THR 34 13.510 24.052 2.991
277 HG21 THR 34 HG21 THR 34 14.224 22.106 -0.487
278 HG22 THR 34 HG22 THR 34 13.334 23.653 -0.577
279 HG23 THR 34 HG23 THR 34 15.029 23.612 -0.045
280 H THR 35 H THR 35 11.273 21.700 -0.761
281 HA THR 35 HA THR 35 11.589 18.741 -0.476
282 HB THR 35 HB THR 35 9.978 18.535 -2.253
283 HG1 THR 35 HG1 THR 35 9.785 21.356 -2.250
284 HG21 THR 35 HG21 THR 35 8.939 20.559 -0.224
285 HG22 THR 35 HG22 THR 35 7.974 19.466 -1.233
286 HG23 THR 35 HG23 THR 35 9.050 18.801 0.001
287 H LEU 36 H LEU 36 12.093 17.487 -2.480
288 HA LEU 36 HA LEU 36 14.397 18.544 -3.889
289 HB2 LEU 36 HB2 LEU 36 14.309 16.475 -5.225
290 HB3 LEU 36 HB3 LEU 36 14.445 16.254 -3.487
291 HG LEU 36 HG LEU 36 12.262 15.405 -3.270
292 HD11 LEU 36 HD11 LEU 36 10.730 15.058 -5.234
293 HD12 LEU 36 HD12 LEU 36 10.890 16.740 -4.762
294 HD13 LEU 36 HD13 LEU 36 11.763 16.138 -6.194
295 HD21 LEU 36 HD21 LEU 36 13.485 14.291 -5.830
296 HD22 LEU 36 HD22 LEU 36 14.021 13.906 -4.191
297 HD23 LEU 36 HD23 LEU 36 12.399 13.426 -4.726
298 H PHE 37 H PHE 37 11.132 19.175 -4.445
299 HA PHE 37 HA PHE 37 11.363 19.664 -7.321
300 HB2 PHE 37 HB2 PHE 37 9.266 20.667 -5.371
301 HB3 PHE 37 HB3 PHE 37 9.129 20.578 -7.124
302 HD1 PHE 37 HD1 PHE 37 9.504 18.112 -8.141
303 HD2 PHE 37 HD2 PHE 37 8.239 18.967 -4.106
304 HE1 PHE 37 HE1 PHE 37 8.510 15.831 -7.954
305 HE2 PHE 37 HE2 PHE 37 7.273 16.700 -3.925
306 HZ PHE 37 HZ PHE 37 7.387 15.125 -5.858
307 H ASP 38 H ASP 38 12.875 21.095 -4.857
308 HA ASP 38 HA ASP 38 13.629 22.995 -4.113
309 HB2 ASP 38 HB2 ASP 38 14.508 24.670 -5.535
310 HB3 ASP 38 HB3 ASP 38 14.811 23.087 -6.217
311 H GLU 39 H GLU 39 10.593 22.624 -4.447
312 HA GLU 39 HA GLU 39 9.561 25.317 -4.011
313 HB2 GLU 39 HB2 GLU 39 8.183 23.520 -4.995
314 HB3 GLU 39 HB3 GLU 39 8.273 22.618 -3.473
315 HG2 GLU 39 HG2 GLU 39 7.122 24.449 -2.295
316 HG3 GLU 39 HG3 GLU 39 7.144 25.434 -3.769
317 H GLU 40 H GLU 40 9.496 26.409 -2.180
318 HA GLU 40 HA GLU 40 10.299 25.140 0.403
319 HB2 GLU 40 HB2 GLU 40 10.286 28.035 -0.513
320 HB3 GLU 40 HB3 GLU 40 10.666 27.500 1.131
321 HG2 GLU 40 HG2 GLU 40 12.579 26.210 0.341
322 HG3 GLU 40 HG3 GLU 40 12.222 26.618 -1.332
323 H HIS 41 H HIS 41 9.112 25.436 2.217
324 HA HIS 41 HA HIS 41 6.375 26.639 2.064
325 HB2 HIS 41 HB2 HIS 41 7.128 23.959 3.279
326 HB3 HIS 41 HB3 HIS 41 5.545 24.723 3.356
327 HD2 HIS 41 HD2 HIS 41 7.769 22.644 1.049
328 HE1 HIS 41 HE1 HIS 41 4.115 23.246 -1.067
329 HE2 HIS 41 HE2 HIS 41 6.315 22.007 -1.081
330 H ALA 42 H ALA 42 5.658 27.595 3.981
331 HA ALA 42 HA ALA 42 7.270 27.399 6.421
332 HB1 ALA 42 HB1 ALA 42 8.402 29.210 5.190
333 HB2 ALA 42 HB2 ALA 42 6.855 30.063 4.992
334 HB3 ALA 42 HB3 ALA 42 7.562 29.853 6.612
335 H PHE 43 H PHE 43 6.147 27.766 8.265
336 HA PHE 43 HA PHE 43 3.251 28.536 8.115
337 HB2 PHE 43 HB2 PHE 43 4.345 26.000 9.352
338 HB3 PHE 43 HB3 PHE 43 2.662 26.526 9.324
339 HD1 PHE 43 HD1 PHE 43 5.164 24.587 7.666
340 HD2 PHE 43 HD2 PHE 43 1.566 26.869 6.961
341 HE1 PHE 43 HE1 PHE 43 4.840 23.404 5.523
342 HE2 PHE 43 HE2 PHE 43 1.252 25.683 4.798
343 HZ PHE 43 HZ PHE 43 2.890 23.948 4.076
344 HA PRO 44 HA PRO 44 4.913 30.644 11.800
345 HB2 PRO 44 HB2 PRO 44 2.278 32.042 11.459
346 HB3 PRO 44 HB3 PRO 44 3.874 32.731 11.899
347 HG2 PRO 44 HG2 PRO 44 2.962 32.976 9.363
348 HG3 PRO 44 HG3 PRO 44 4.672 32.491 9.655
349 HD2 PRO 44 HD2 PRO 44 2.281 30.711 9.036
350 HD3 PRO 44 HD3 PRO 44 3.903 30.725 8.266
351 H GLY 45 H GLY 45 4.475 30.504 13.967
352 HA2 GLY 45 HA2 GLY 45 3.442 29.982 15.954
353 HA3 GLY 45 HA3 GLY 45 1.915 29.719 15.107
354 H LEU 46 H LEU 46 4.268 27.728 13.708
355 HA LEU 46 HA LEU 46 3.402 25.379 15.326
356 HB2 LEU 46 HB2 LEU 46 4.586 25.513 12.532
357 HB3 LEU 46 HB3 LEU 46 4.131 24.035 13.371
358 HG LEU 46 HG LEU 46 2.236 26.231 12.464
359 HD11 LEU 46 HD11 LEU 46 2.430 23.307 11.632
360 HD12 LEU 46 HD12 LEU 46 1.426 24.582 10.905
361 HD13 LEU 46 HD13 LEU 46 3.188 24.626 10.741
362 HD21 LEU 46 HD21 LEU 46 0.423 24.661 13.128
363 HD22 LEU 46 HD22 LEU 46 1.621 23.568 13.847
364 HD23 LEU 46 HD23 LEU 46 1.327 25.193 14.538
365 H ALA 47 H ALA 47 4.826 23.673 15.669
366 HA ALA 47 HA ALA 47 7.719 23.985 15.316
367 HB1 ALA 47 HB1 ALA 47 8.189 23.174 17.617
368 HB2 ALA 47 HB2 ALA 47 7.381 24.751 17.636
369 HB3 ALA 47 HB3 ALA 47 6.458 23.271 18.007
370 H ILE 48 H ILE 48 8.804 21.775 15.429
371 HA ILE 48 HA ILE 48 7.096 19.730 14.196
372 HB ILE 48 HB ILE 48 9.981 19.572 15.103
373 HG12 ILE 48 HG12 ILE 48 9.137 19.636 12.192
374 HG13 ILE 48 HG13 ILE 48 9.223 21.151 13.055
375 HG21 ILE 48 HG21 ILE 48 8.290 17.677 13.416
376 HG22 ILE 48 HG22 ILE 48 10.043 17.547 13.608
377 HG23 ILE 48 HG23 ILE 48 8.994 17.328 15.010
378 HD11 ILE 48 HD11 ILE 48 11.586 20.663 13.720
379 HD12 ILE 48 HD12 ILE 48 11.517 19.188 12.730
380 HD13 ILE 48 HD13 ILE 48 11.343 20.774 11.965
381 H GLY 49 H GLY 49 5.921 18.267 15.217
382 HA2 GLY 49 HA2 GLY 49 6.012 18.095 18.189
383 HA3 GLY 49 HA3 GLY 49 4.684 17.670 17.118
384 H ARG 50 H ARG 50 6.201 15.984 15.309
385 HA ARG 50 HA ARG 50 7.221 13.725 16.929
386 HB2 ARG 50 HB2 ARG 50 4.791 13.590 17.209
387 HB3 ARG 50 HB3 ARG 50 4.555 13.742 15.472
388 HG2 ARG 50 HG2 ARG 50 5.565 11.494 15.118
389 HG3 ARG 50 HG3 ARG 50 5.820 11.350 16.867
390 HD2 ARG 50 HD2 ARG 50 3.342 11.718 17.182
391 HD3 ARG 50 HD3 ARG 50 3.156 11.723 15.426
392 HE ARG 50 HE ARG 50 4.269 9.379 16.960
393 HH11 ARG 50 HH11 ARG 50 1.992 10.416 14.485
394 HH12 ARG 50 HH12 ARG 50 1.467 8.775 14.213
395 HH21 ARG 50 HH21 ARG 50 3.598 7.485 16.602
396 HH22 ARG 50 HH22 ARG 50 2.455 7.098 15.319
397 H VAL 51 H VAL 51 8.331 12.191 15.763
398 HA VAL 51 HA VAL 51 7.917 12.135 12.834
399 HB VAL 51 HB VAL 51 10.697 11.721 13.948
400 HG11 VAL 51 HG11 VAL 51 10.173 10.535 11.854
401 HG12 VAL 51 HG12 VAL 51 9.630 12.042 11.116
402 HG13 VAL 51 HG13 VAL 51 11.337 11.830 11.570
403 HG21 VAL 51 HG21 VAL 51 10.273 14.104 14.235
404 HG22 VAL 51 HG22 VAL 51 11.309 13.859 12.827
405 HG23 VAL 51 HG23 VAL 51 9.582 14.214 12.600
406 H ASP 52 H ASP 52 7.319 10.174 12.217
407 HA ASP 52 HA ASP 52 8.004 7.792 13.906
408 HB2 ASP 52 HB2 ASP 52 5.604 8.409 14.045
409 HB3 ASP 52 HB3 ASP 52 5.469 8.247 12.295
410 H LEU 53 H LEU 53 9.485 6.639 12.930
411 HA LEU 53 HA LEU 53 10.079 7.020 10.082
412 HB2 LEU 53 HB2 LEU 53 11.491 5.427 12.269
413 HB3 LEU 53 HB3 LEU 53 12.068 5.641 10.630
414 HG LEU 53 HG LEU 53 13.304 7.075 11.965
415 HD11 LEU 53 HD11 LEU 53 11.241 8.819 10.583
416 HD12 LEU 53 HD12 LEU 53 12.868 9.307 11.041
417 HD13 LEU 53 HD13 LEU 53 12.647 8.044 9.812
418 HD21 LEU 53 HD21 LEU 53 11.776 7.272 13.921
419 HD22 LEU 53 HD22 LEU 53 12.561 8.787 13.448
420 HD23 LEU 53 HD23 LEU 53 10.856 8.513 13.050
421 H ARG 54 H ARG 54 8.203 4.776 11.853
422 HA ARG 54 HA ARG 54 8.541 2.435 10.118
423 HB2 ARG 54 HB2 ARG 54 6.245 3.219 11.937
424 HB3 ARG 54 HB3 ARG 54 6.512 1.630 11.253
425 HG2 ARG 54 HG2 ARG 54 8.450 1.226 12.576
426 HG3 ARG 54 HG3 ARG 54 8.601 2.913 13.088
427 HD2 ARG 54 HD2 ARG 54 6.277 1.110 13.848
428 HD3 ARG 54 HD3 ARG 54 7.694 1.424 14.849
429 HE ARG 54 HE ARG 54 6.263 3.829 13.900
430 HH11 ARG 54 HH11 ARG 54 6.155 2.981 17.777
431 HH12 ARG 54 HH12 ARG 54 6.863 1.792 16.711
432 HH21 ARG 54 HH21 ARG 54 5.152 5.069 15.238
433 HH22 ARG 54 HH22 ARG 54 5.375 4.881 16.989
434 H SER 55 H SER 55 6.408 5.245 10.195
435 HA SER 55 HA SER 55 5.099 4.457 7.628
436 HB2 SER 55 HB2 SER 55 3.429 6.157 8.233
437 HB3 SER 55 HB3 SER 55 3.612 4.918 9.494
438 HG SER 55 HG SER 55 3.564 7.035 10.383
439 H GLY 56 H GLY 56 7.557 6.572 8.800
440 HA2 GLY 56 HA2 GLY 56 8.893 8.075 7.708
441 HA3 GLY 56 HA3 GLY 56 8.037 7.773 6.192
442 H VAL 57 H VAL 57 6.528 8.878 9.234
443 HA VAL 57 HA VAL 57 5.589 11.344 7.816
444 HB VAL 57 HB VAL 57 4.350 9.780 10.092
445 HG11 VAL 57 HG11 VAL 57 3.415 12.371 8.772
446 HG12 VAL 57 HG12 VAL 57 2.421 11.352 9.842
447 HG13 VAL 57 HG13 VAL 57 3.855 12.150 10.482
448 HG21 VAL 57 HG21 VAL 57 3.391 10.337 7.240
449 HG22 VAL 57 HG22 VAL 57 4.047 8.796 7.819
450 HG23 VAL 57 HG23 VAL 57 2.529 9.396 8.475
451 H ILE 58 H ILE 58 6.267 13.227 8.385
452 HA ILE 58 HA ILE 58 7.255 13.833 11.152
453 HB ILE 58 HB ILE 58 7.429 15.357 8.523
454 HG12 ILE 58 HG12 ILE 58 9.682 14.265 10.269
455 HG13 ILE 58 HG13 ILE 58 9.055 13.441 8.852
456 HG21 ILE 58 HG21 ILE 58 8.660 17.121 9.723
457 HG22 ILE 58 HG22 ILE 58 7.049 16.958 10.388
458 HG23 ILE 58 HG23 ILE 58 8.437 16.263 11.261
459 HD11 ILE 58 HD11 ILE 58 11.040 14.579 8.221
460 HD12 ILE 58 HD12 ILE 58 9.678 15.413 7.446
461 HD13 ILE 58 HD13 ILE 58 10.486 16.118 8.876
462 H SER 59 H SER 59 5.907 15.027 12.471
463 HA SER 59 HA SER 59 3.423 16.215 11.277
464 HB2 SER 59 HB2 SER 59 2.973 14.049 12.418
465 HB3 SER 59 HB3 SER 59 3.637 14.740 13.902
466 HG SER 59 HG SER 59 1.288 15.499 12.496
467 H LEU 60 H LEU 60 2.945 18.241 11.842
468 HA LEU 60 HA LEU 60 4.679 19.619 13.836
469 HB2 LEU 60 HB2 LEU 60 2.821 20.927 11.859
470 HB3 LEU 60 HB3 LEU 60 4.108 21.666 12.798
471 HG LEU 60 HG LEU 60 4.432 19.758 10.438
472 HD11 LEU 60 HD11 LEU 60 5.205 22.677 10.877
473 HD12 LEU 60 HD12 LEU 60 5.505 21.727 9.390
474 HD13 LEU 60 HD13 LEU 60 3.860 22.128 9.887
475 HD21 LEU 60 HD21 LEU 60 6.589 21.003 12.199
476 HD22 LEU 60 HD22 LEU 60 6.231 19.272 12.019
477 HD23 LEU 60 HD23 LEU 60 6.867 20.174 10.654
478 H ILE 61 H ILE 61 3.840 21.053 15.359
479 HA ILE 61 HA ILE 61 0.967 20.908 16.097
480 HB ILE 61 HB ILE 61 1.575 20.609 18.477
481 HG12 ILE 61 HG12 ILE 61 3.802 19.319 18.871
482 HG13 ILE 61 HG13 ILE 61 4.393 20.126 17.430
483 HG21 ILE 61 HG21 ILE 61 2.424 18.285 16.716
484 HG22 ILE 61 HG22 ILE 61 1.802 18.204 18.384
485 HG23 ILE 61 HG23 ILE 61 0.753 18.751 17.067
486 HD11 ILE 61 HD11 ILE 61 3.320 21.489 19.938
487 HD12 ILE 61 HD12 ILE 61 5.035 21.226 19.552
488 HD13 ILE 61 HD13 ILE 61 4.076 22.314 18.546
489 H GLU 62 H GLU 62 0.330 22.618 17.624
490 HA GLU 62 HA GLU 62 1.472 25.190 16.896
491 HB2 GLU 62 HB2 GLU 62 -0.588 24.410 18.994
492 HB3 GLU 62 HB3 GLU 62 -0.114 26.077 18.604
493 HG2 GLU 62 HG2 GLU 62 -0.778 25.712 16.224
494 HG3 GLU 62 HG3 GLU 62 -1.369 24.101 16.657
495 H GLU 63 H GLU 63 2.996 26.396 17.871
496 HA GLU 63 HA GLU 63 4.799 25.032 19.592
497 HB2 GLU 63 HB2 GLU 63 6.249 26.897 19.298
498 HB3 GLU 63 HB3 GLU 63 5.419 26.575 17.801
499 HG2 GLU 63 HG2 GLU 63 5.323 28.857 17.835
500 HG3 GLU 63 HG3 GLU 63 3.746 28.454 18.498
501 H GLN 64 H GLN 64 2.173 27.083 20.496
502 HA GLN 64 HA GLN 64 2.801 26.451 23.285
503 HB2 GLN 64 HB2 GLN 64 2.408 28.600 24.192
504 HB3 GLN 64 HB3 GLN 64 3.633 28.781 22.945
505 HG2 GLN 64 HG2 GLN 64 1.831 29.622 21.379
506 HG3 GLN 64 HG3 GLN 64 0.678 29.533 22.721
507 HE21 GLN 64 HE21 GLN 64 3.585 31.188 21.521
508 HE22 GLN 64 HE22 GLN 64 3.428 32.573 22.614
509 H ASN 65 H ASN 65 0.970 26.223 24.592
510 HA ASN 65 HA ASN 65 -1.620 25.954 23.124
511 HB2 ASN 65 HB2 ASN 65 -0.543 23.975 25.158
512 HB3 ASN 65 HB3 ASN 65 -1.950 23.791 24.110
513 HD21 ASN 65 HD21 ASN 65 -0.745 24.599 21.592
514 HD22 ASN 65 HD22 ASN 65 0.530 23.454 21.222
515 H ARG 66 H ARG 66 -0.626 28.047 25.042
516 HA ARG 66 HA ARG 66 -2.047 27.863 27.543
517 HB2 ARG 66 HB2 ARG 66 -1.058 30.309 26.010
518 HB3 ARG 66 HB3 ARG 66 -1.647 30.324 27.670
519 HG2 ARG 66 HG2 ARG 66 0.175 28.659 28.255
520 HG3 ARG 66 HG3 ARG 66 0.849 28.889 26.630
521 HD2 ARG 66 HD2 ARG 66 0.433 31.054 28.734
522 HD3 ARG 66 HD3 ARG 66 1.974 30.276 28.365
523 HE ARG 66 HE ARG 66 1.271 31.248 25.920
524 HH11 ARG 66 HH11 ARG 66 1.480 32.903 29.002
525 HH12 ARG 66 HH12 ARG 66 1.788 34.439 28.228
526 HH21 ARG 66 HH21 ARG 66 1.672 33.129 25.048
527 HH22 ARG 66 HH22 ARG 66 1.883 34.580 26.013
528 H1 GLY -3 H1 GLY -3 9.407 -13.183 4.027
529 H2 GLY -3 H2 GLY -3 9.823 -14.006 5.382
530 H3 GLY -3 H3 GLY -3 10.872 -12.925 4.719
531 HA2 GLY -3 HA2 GLY -3 8.265 -12.262 5.917
532 HA3 GLY -3 HA3 GLY -3 9.846 -11.995 6.689
533 HA PRO -2 HA PRO -2 8.459 -8.376 3.880
534 HB2 PRO -2 HB2 PRO -2 7.664 -6.520 5.736
535 HB3 PRO -2 HB3 PRO -2 6.568 -7.757 5.048
536 HG2 PRO -2 HG2 PRO -2 8.084 -7.887 7.677
537 HG3 PRO -2 HG3 PRO -2 6.347 -8.222 7.385
538 HD2 PRO -2 HD2 PRO -2 8.171 -10.224 7.507
539 HD3 PRO -2 HD3 PRO -2 6.814 -10.282 6.344
540 H GLY -1 H GLY -1 9.748 -6.598 3.438
541 HA2 GLY -1 HA2 GLY -1 12.406 -6.492 4.635
542 HA3 GLY -1 HA3 GLY -1 11.796 -5.498 3.318
543 H SER 0 H SER 0 13.386 -4.793 5.757
544 HA SER 0 HA SER 0 11.674 -3.095 7.408
545 HB2 SER 0 HB2 SER 0 13.766 -2.431 8.478
546 HB3 SER 0 HB3 SER 0 13.633 -4.194 8.365
547 HG SER 0 HG SER 0 15.726 -3.427 7.785
548 H MET 1 H MET 1 11.874 -0.826 7.620
549 HA MET 1 HA MET 1 12.324 0.604 5.051
550 HB2 MET 1 HB2 MET 1 10.747 2.187 5.806
551 HB3 MET 1 HB3 MET 1 10.061 0.601 6.054
552 HG2 MET 1 HG2 MET 1 11.317 2.360 8.202
553 HG3 MET 1 HG3 MET 1 9.601 2.212 7.888
554 HE1 MET 1 HE1 MET 1 9.071 -0.932 7.517
555 HE2 MET 1 HE2 MET 1 8.686 -1.338 9.204
556 HE3 MET 1 HE3 MET 1 8.098 0.188 8.508
557 H CYS 2 H CYS 2 14.237 0.011 7.548
558 HA CYS 2 HA CYS 2 15.935 0.947 8.697
559 HB2 CYS 2 HB2 CYS 2 15.927 3.107 6.558
560 HB3 CYS 2 HB3 CYS 2 17.221 2.788 7.732
561 HG CYS 2 HG CYS 2 15.977 0.805 5.391
562 H MET 3 H MET 3 16.764 3.037 9.835
563 HA MET 3 HA MET 3 14.485 4.469 11.127
564 HB2 MET 3 HB2 MET 3 16.517 2.637 12.432
565 HB3 MET 3 HB3 MET 3 15.620 3.857 13.335
566 HG2 MET 3 HG2 MET 3 13.508 2.865 12.805
567 HG3 MET 3 HG3 MET 3 14.235 1.716 11.681
568 HE1 MET 3 HE1 MET 3 16.678 0.368 12.972
569 HE2 MET 3 HE2 MET 3 15.883 -0.974 13.819
570 HE3 MET 3 HE3 MET 3 15.297 -0.472 12.222
571 H ALA 4 H ALA 4 15.049 6.306 12.309
572 HA ALA 4 HA ALA 4 17.346 7.750 11.180
573 HB1 ALA 4 HB1 ALA 4 16.238 9.729 12.183
574 HB2 ALA 4 HB2 ALA 4 15.149 8.796 11.135
575 HB3 ALA 4 HB3 ALA 4 15.022 8.668 12.919
576 H LYS 5 H LYS 5 18.608 9.167 12.456
577 HA LYS 5 HA LYS 5 19.383 8.263 15.208
578 HB2 LYS 5 HB2 LYS 5 21.197 8.352 13.584
579 HB3 LYS 5 HB3 LYS 5 20.726 9.976 13.081
580 HG2 LYS 5 HG2 LYS 5 21.352 10.903 15.274
581 HG3 LYS 5 HG3 LYS 5 21.752 9.269 15.859
582 HD2 LYS 5 HD2 LYS 5 23.533 9.056 14.213
583 HD3 LYS 5 HD3 LYS 5 23.107 10.628 13.488
584 HE2 LYS 5 HE2 LYS 5 23.744 11.826 15.464
585 HE3 LYS 5 HE3 LYS 5 23.847 10.339 16.411
586 HZ1 LYS 5 HZ1 LYS 5 25.721 9.671 14.929
587 HZ2 LYS 5 HZ2 LYS 5 25.694 11.148 14.227
588 HZ3 LYS 5 HZ3 LYS 5 26.044 10.982 15.838
589 H VAL 6 H VAL 6 19.137 9.629 16.919
590 HA VAL 6 HA VAL 6 18.076 12.390 16.465
591 HB VAL 6 HB VAL 6 17.516 10.620 18.851
592 HG11 VAL 6 HG11 VAL 6 16.647 13.475 18.257
593 HG12 VAL 6 HG12 VAL 6 15.964 12.456 19.533
594 HG13 VAL 6 HG13 VAL 6 17.662 12.913 19.613
595 HG21 VAL 6 HG21 VAL 6 15.575 11.679 16.761
596 HG22 VAL 6 HG22 VAL 6 16.176 10.013 16.846
597 HG23 VAL 6 HG23 VAL 6 15.193 10.660 18.161
598 H VAL 7 H VAL 7 19.133 14.063 17.451
599 HA VAL 7 HA VAL 7 21.323 13.492 19.374
600 HB VAL 7 HB VAL 7 22.431 13.510 17.243
601 HG11 VAL 7 HG11 VAL 7 20.871 14.834 15.875
602 HG12 VAL 7 HG12 VAL 7 21.315 16.301 16.769
603 HG13 VAL 7 HG13 VAL 7 22.514 15.467 15.764
604 HG21 VAL 7 HG21 VAL 7 23.552 14.641 19.208
605 HG22 VAL 7 HG22 VAL 7 24.118 15.181 17.619
606 HG23 VAL 7 HG23 VAL 7 23.003 16.196 18.553
607 H LEU 8 H LEU 8 21.775 15.029 20.843
608 HA LEU 8 HA LEU 8 20.409 17.647 20.798
609 HB2 LEU 8 HB2 LEU 8 19.340 17.346 22.931
610 HB3 LEU 8 HB3 LEU 8 18.865 16.059 21.843
611 HG LEU 8 HG LEU 8 20.898 14.772 23.082
612 HD11 LEU 8 HD11 LEU 8 20.793 15.253 25.522
613 HD12 LEU 8 HD12 LEU 8 21.459 16.624 24.633
614 HD13 LEU 8 HD13 LEU 8 19.777 16.672 25.193
615 HD21 LEU 8 HD21 LEU 8 19.231 13.719 24.550
616 HD22 LEU 8 HD22 LEU 8 18.086 15.030 24.222
617 HD23 LEU 8 HD23 LEU 8 18.601 13.943 22.915
618 H THR 9 H THR 9 21.311 19.170 22.271
619 HA THR 9 HA THR 9 23.951 18.430 23.492
620 HB THR 9 HB THR 9 23.257 21.129 22.309
621 HG1 THR 9 HG1 THR 9 23.588 19.604 20.702
622 HG21 THR 9 HG21 THR 9 25.851 19.980 23.430
623 HG22 THR 9 HG22 THR 9 25.680 21.556 22.619
624 HG23 THR 9 HG23 THR 9 24.879 21.272 24.164
625 H LYS 10 H LYS 10 23.923 18.552 25.652
626 HA LYS 10 HA LYS 10 21.687 19.708 27.123
627 HB2 LYS 10 HB2 LYS 10 24.368 18.585 28.048
628 HB3 LYS 10 HB3 LYS 10 23.029 19.017 29.118
629 HG2 LYS 10 HG2 LYS 10 21.557 17.388 27.966
630 HG3 LYS 10 HG3 LYS 10 22.901 16.881 26.935
631 HD2 LYS 10 HD2 LYS 10 22.822 16.616 29.967
632 HD3 LYS 10 HD3 LYS 10 22.499 15.319 28.802
633 HE2 LYS 10 HE2 LYS 10 24.787 15.571 27.872
634 HE3 LYS 10 HE3 LYS 10 25.136 16.819 29.068
635 HZ1 LYS 10 HZ1 LYS 10 25.919 14.633 29.801
636 HZ2 LYS 10 HZ2 LYS 10 24.758 15.163 30.819
637 HZ3 LYS 10 HZ3 LYS 10 24.419 14.004 29.716
638 H ALA 11 H ALA 11 21.977 21.237 28.934
639 HA ALA 11 HA ALA 11 22.858 23.760 28.013
640 HB1 ALA 11 HB1 ALA 11 21.059 23.401 29.676
641 HB2 ALA 11 HB2 ALA 11 22.263 22.816 30.855
642 HB3 ALA 11 HB3 ALA 11 22.291 24.504 30.309
643 H ASP 12 H ASP 12 24.629 21.353 29.874
644 HA ASP 12 HA ASP 12 26.888 23.088 30.542
645 HB2 ASP 12 HB2 ASP 12 26.010 21.070 31.857
646 HB3 ASP 12 HB3 ASP 12 26.708 20.052 30.615
647 H GLY 13 H GLY 13 25.950 22.045 27.588
648 HA2 GLY 13 HA2 GLY 13 27.045 22.134 25.560
649 HA3 GLY 13 HA3 GLY 13 28.605 22.215 26.371
650 H GLY 14 H GLY 14 26.979 19.567 27.663
651 HA2 GLY 14 HA2 GLY 14 28.632 17.627 26.226
652 HA3 GLY 14 HA3 GLY 14 27.492 17.291 27.530
653 H ARG 15 H ARG 15 28.044 16.924 24.219
654 HA ARG 15 HA ARG 15 25.306 16.781 23.336
655 HB2 ARG 15 HB2 ARG 15 27.569 17.240 22.047
656 HB3 ARG 15 HB3 ARG 15 27.607 15.472 21.863
657 HG2 ARG 15 HG2 ARG 15 25.361 15.556 20.788
658 HG3 ARG 15 HG3 ARG 15 25.264 17.277 21.188
659 HD2 ARG 15 HD2 ARG 15 25.792 17.046 18.837
660 HD3 ARG 15 HD3 ARG 15 27.145 17.774 19.719
661 HE ARG 15 HE ARG 15 27.157 14.808 19.170
662 HH11 ARG 15 HH11 ARG 15 28.724 17.890 18.472
663 HH12 ARG 15 HH12 ARG 15 30.040 17.086 17.653
664 HH21 ARG 15 HH21 ARG 15 28.731 13.924 18.196
665 HH22 ARG 15 HH22 ARG 15 30.082 14.846 17.522
666 H VAL 16 H VAL 16 24.037 15.071 22.877
667 HA VAL 16 HA VAL 16 24.865 12.328 23.684
668 HB VAL 16 HB VAL 16 22.202 13.598 24.404
669 HG11 VAL 16 HG11 VAL 16 21.900 11.233 23.891
670 HG12 VAL 16 HG12 VAL 16 23.265 10.801 24.945
671 HG13 VAL 16 HG13 VAL 16 21.779 11.486 25.629
672 HG21 VAL 16 HG21 VAL 16 24.500 12.745 26.199
673 HG22 VAL 16 HG22 VAL 16 23.940 14.410 25.911
674 HG23 VAL 16 HG23 VAL 16 22.891 13.270 26.762
675 H GLU 17 H GLU 17 24.275 10.761 22.285
676 HA GLU 17 HA GLU 17 22.602 11.450 19.909
677 HB2 GLU 17 HB2 GLU 17 25.371 10.198 19.989
678 HB3 GLU 17 HB3 GLU 17 24.328 10.199 18.563
679 HG2 GLU 17 HG2 GLU 17 24.385 12.569 18.375
680 HG3 GLU 17 HG3 GLU 17 25.160 12.764 19.964
681 H ILE 18 H ILE 18 21.292 9.900 19.159
682 HA ILE 18 HA ILE 18 21.308 7.181 20.429
683 HB ILE 18 HB ILE 18 18.908 9.029 20.078
684 HG12 ILE 18 HG12 ILE 18 20.311 8.116 22.628
685 HG13 ILE 18 HG13 ILE 18 20.369 9.742 21.944
686 HG21 ILE 18 HG21 ILE 18 17.622 7.258 21.210
687 HG22 ILE 18 HG22 ILE 18 18.340 6.625 19.750
688 HG23 ILE 18 HG23 ILE 18 19.064 6.246 21.327
689 HD11 ILE 18 HD11 ILE 18 17.967 8.391 23.179
690 HD12 ILE 18 HD12 ILE 18 18.819 9.853 23.693
691 HD13 ILE 18 HD13 ILE 18 17.860 9.887 22.200
692 H GLY 19 H GLY 19 21.599 5.778 18.809
693 HA2 GLY 19 HA2 GLY 19 20.719 6.325 16.059
694 HA3 GLY 19 HA3 GLY 19 21.603 4.919 16.623
695 H ASP 20 H ASP 20 19.410 4.910 14.857
696 HA ASP 20 HA ASP 20 17.645 3.654 14.329
697 HB2 ASP 20 HB2 ASP 20 18.731 1.842 16.485
698 HB3 ASP 20 HB3 ASP 20 17.663 1.366 15.165
699 H VAL 21 H VAL 21 16.551 5.709 15.695
700 HA VAL 21 HA VAL 21 14.576 4.613 17.571
701 HB VAL 21 HB VAL 21 13.557 6.711 17.625
702 HG11 VAL 21 HG11 VAL 21 15.305 8.057 18.620
703 HG12 VAL 21 HG12 VAL 21 15.568 6.356 19.014
704 HG13 VAL 21 HG13 VAL 21 16.556 7.141 17.754
705 HG21 VAL 21 HG21 VAL 21 14.244 8.708 16.486
706 HG22 VAL 21 HG22 VAL 21 15.492 7.829 15.580
707 HG23 VAL 21 HG23 VAL 21 13.760 7.526 15.297
708 H LEU 22 H LEU 22 12.619 3.908 17.168
709 HA LEU 22 HA LEU 22 11.543 3.614 14.427
710 HB2 LEU 22 HB2 LEU 22 10.481 2.998 17.220
711 HB3 LEU 22 HB3 LEU 22 9.564 2.704 15.751
712 HG LEU 22 HG LEU 22 12.259 1.379 16.346
713 HD11 LEU 22 HD11 LEU 22 10.914 -0.612 16.914
714 HD12 LEU 22 HD12 LEU 22 10.549 0.723 18.005
715 HD13 LEU 22 HD13 LEU 22 9.411 0.329 16.692
716 HD21 LEU 22 HD21 LEU 22 10.062 0.679 14.347
717 HD22 LEU 22 HD22 LEU 22 11.594 1.447 13.921
718 HD23 LEU 22 HD23 LEU 22 11.581 -0.192 14.591
719 H GLU 23 H GLU 23 11.144 5.659 17.307
720 HA GLU 23 HA GLU 23 9.487 7.593 15.839
721 HB2 GLU 23 HB2 GLU 23 7.862 5.929 16.557
722 HB3 GLU 23 HB3 GLU 23 8.471 5.984 18.214
723 HG2 GLU 23 HG2 GLU 23 7.664 8.267 18.484
724 HG3 GLU 23 HG3 GLU 23 7.228 8.354 16.773
725 H VAL 24 H VAL 24 9.400 9.610 16.786
726 HA VAL 24 HA VAL 24 10.516 10.086 19.478
727 HB VAL 24 HB VAL 24 12.411 10.423 18.058
728 HG11 VAL 24 HG11 VAL 24 11.429 10.834 15.892
729 HG12 VAL 24 HG12 VAL 24 10.790 12.415 16.450
730 HG13 VAL 24 HG13 VAL 24 12.539 12.127 16.323
731 HG21 VAL 24 HG21 VAL 24 12.102 12.021 19.945
732 HG22 VAL 24 HG22 VAL 24 13.056 12.688 18.611
733 HG23 VAL 24 HG23 VAL 24 11.362 13.174 18.812
734 H ARG 25 H ARG 25 9.550 11.738 20.570
735 HA ARG 25 HA ARG 25 7.376 13.330 19.238
736 HB2 ARG 25 HB2 ARG 25 7.093 11.774 21.842
737 HB3 ARG 25 HB3 ARG 25 5.893 12.854 21.135
738 HG2 ARG 25 HG2 ARG 25 5.689 11.292 19.190
739 HG3 ARG 25 HG3 ARG 25 6.873 10.212 19.977
740 HD2 ARG 25 HD2 ARG 25 5.343 10.165 21.997
741 HD3 ARG 25 HD3 ARG 25 4.120 11.001 21.025
742 HE ARG 25 HE ARG 25 4.783 8.827 19.454
743 HH11 ARG 25 HH11 ARG 25 3.528 9.073 22.719
744 HH12 ARG 25 HH12 ARG 25 2.922 7.436 22.687
745 HH21 ARG 25 HH21 ARG 25 4.212 6.761 19.546
746 HH22 ARG 25 HH22 ARG 25 3.272 6.151 20.898
747 H ALA 26 H ALA 26 7.378 15.407 19.830
748 HA ALA 26 HA ALA 26 8.706 16.292 22.345
749 HB1 ALA 26 HB1 ALA 26 7.567 17.868 19.995
750 HB2 ALA 26 HB2 ALA 26 8.313 18.554 21.441
751 HB3 ALA 26 HB3 ALA 26 9.282 17.569 20.326
752 H GLU 27 H GLU 27 7.400 16.237 24.095
753 HA GLU 27 HA GLU 27 4.609 17.098 24.035
754 HB2 GLU 27 HB2 GLU 27 3.679 14.980 24.853
755 HB3 GLU 27 HB3 GLU 27 4.280 14.861 23.198
756 HG2 GLU 27 HG2 GLU 27 6.315 13.694 24.010
757 HG3 GLU 27 HG3 GLU 27 5.740 13.831 25.677
758 H GLY 28 H GLY 28 3.766 17.592 26.074
759 HA2 GLY 28 HA2 GLY 28 3.763 18.144 28.281
760 HA3 GLY 28 HA3 GLY 28 4.753 16.707 28.562
761 H GLY 29 H GLY 29 5.983 19.373 26.591
762 HA2 GLY 29 HA2 GLY 29 7.657 20.960 26.990
763 HA3 GLY 29 HA3 GLY 29 7.528 20.655 28.720
764 H ALA 30 H ALA 30 8.065 17.911 26.624
765 HA ALA 30 HA ALA 30 10.996 17.831 27.077
766 HB1 ALA 30 HB1 ALA 30 9.019 15.632 27.880
767 HB2 ALA 30 HB2 ALA 30 10.784 15.576 28.055
768 HB3 ALA 30 HB3 ALA 30 9.832 16.718 29.023
769 H VAL 31 H VAL 31 11.967 15.941 25.874
770 HA VAL 31 HA VAL 31 10.299 15.014 23.568
771 HB VAL 31 HB VAL 31 13.290 15.413 23.607
772 HG11 VAL 31 HG11 VAL 31 11.556 13.946 21.568
773 HG12 VAL 31 HG12 VAL 31 13.180 14.539 21.234
774 HG13 VAL 31 HG13 VAL 31 12.943 13.291 22.467
775 HG21 VAL 31 HG21 VAL 31 11.114 16.409 21.706
776 HG22 VAL 31 HG22 VAL 31 11.779 17.360 23.048
777 HG23 VAL 31 HG23 VAL 31 12.828 16.878 21.719
778 H ARG 32 H ARG 32 10.080 12.887 23.205
779 HA ARG 32 HA ARG 32 11.642 10.959 24.857
780 HB2 ARG 32 HB2 ARG 32 8.667 10.700 24.240
781 HB3 ARG 32 HB3 ARG 32 9.688 9.481 25.033
782 HG2 ARG 32 HG2 ARG 32 10.153 11.147 26.870
783 HG3 ARG 32 HG3 ARG 32 9.020 12.240 26.087
784 HD2 ARG 32 HD2 ARG 32 7.791 11.226 27.809
785 HD3 ARG 32 HD3 ARG 32 7.230 10.434 26.340
786 HE ARG 32 HE ARG 32 8.930 9.304 28.512
787 HH11 ARG 32 HH11 ARG 32 7.215 8.546 25.501
788 HH12 ARG 32 HH12 ARG 32 7.494 6.822 25.773
789 HH21 ARG 32 HH21 ARG 32 9.100 7.064 28.684
790 HH22 ARG 32 HH22 ARG 32 8.413 6.083 27.388
791 H VAL 33 H VAL 33 11.989 8.985 23.957
792 HA VAL 33 HA VAL 33 11.591 8.680 21.002
793 HB VAL 33 HB VAL 33 13.889 7.810 20.756
794 HG11 VAL 33 HG11 VAL 33 13.827 10.669 21.792
795 HG12 VAL 33 HG12 VAL 33 15.073 9.943 20.740
796 HG13 VAL 33 HG13 VAL 33 13.416 10.129 20.153
797 HG21 VAL 33 HG21 VAL 33 15.613 8.282 22.432
798 HG22 VAL 33 HG22 VAL 33 14.394 8.916 23.547
799 HG23 VAL 33 HG23 VAL 33 14.400 7.192 23.093
800 H THR 34 H THR 34 11.635 6.586 20.176
801 HA THR 34 HA THR 34 11.563 4.306 22.121
802 HB THR 34 HB THR 34 9.724 4.675 19.731
803 HG1 THR 34 HG1 THR 34 9.150 6.013 21.460
804 HG21 THR 34 HG21 THR 34 8.536 2.716 20.693
805 HG22 THR 34 HG22 THR 34 10.157 2.302 20.157
806 HG23 THR 34 HG23 THR 34 9.834 2.526 21.890
807 H THR 35 H THR 35 12.878 2.629 21.511
808 HA THR 35 HA THR 35 14.200 2.802 18.824
809 HB THR 35 HB THR 35 16.132 1.813 19.744
810 HG1 THR 35 HG1 THR 35 16.171 1.307 22.010
811 HG21 THR 35 HG21 THR 35 16.869 3.419 21.396
812 HG22 THR 35 HG22 THR 35 15.898 4.236 20.168
813 HG23 THR 35 HG23 THR 35 15.190 3.892 21.766
814 H LEU 36 H LEU 36 15.127 0.774 18.000
815 HA LEU 36 HA LEU 36 13.225 -1.215 17.441
816 HB2 LEU 36 HB2 LEU 36 14.920 -2.301 16.270
817 HB3 LEU 36 HB3 LEU 36 15.294 -0.594 16.152
818 HG LEU 36 HG LEU 36 16.693 -2.621 17.953
819 HD11 LEU 36 HD11 LEU 36 17.148 -2.879 15.541
820 HD12 LEU 36 HD12 LEU 36 17.649 -1.173 15.457
821 HD13 LEU 36 HD13 LEU 36 18.579 -2.337 16.430
822 HD21 LEU 36 HD21 LEU 36 16.891 -0.447 19.042
823 HD22 LEU 36 HD22 LEU 36 18.413 -0.779 18.231
824 HD23 LEU 36 HD23 LEU 36 17.249 0.345 17.493
825 H PHE 37 H PHE 37 15.150 -0.999 20.322
826 HA PHE 37 HA PHE 37 14.965 -3.857 21.012
827 HB2 PHE 37 HB2 PHE 37 15.869 -1.468 22.671
828 HB3 PHE 37 HB3 PHE 37 16.118 -3.167 23.064
829 HD1 PHE 37 HD1 PHE 37 17.890 -0.422 22.104
830 HD2 PHE 37 HD2 PHE 37 17.187 -4.464 20.755
831 HE1 PHE 37 HE1 PHE 37 20.081 -0.411 20.935
832 HE2 PHE 37 HE2 PHE 37 19.365 -4.427 19.556
833 HZ PHE 37 HZ PHE 37 20.809 -2.400 19.640
834 H ASP 38 H ASP 38 12.624 -1.571 20.896
835 HA ASP 38 HA ASP 38 10.733 -1.031 21.926
836 HB2 ASP 38 HB2 ASP 38 10.866 -3.566 23.568
837 HB3 ASP 38 HB3 ASP 38 9.470 -2.543 23.288
838 H GLU 39 H GLU 39 13.487 -0.458 23.165
839 HA GLU 39 HA GLU 39 12.809 0.300 25.925
840 HB2 GLU 39 HB2 GLU 39 15.207 0.910 24.157
841 HB3 GLU 39 HB3 GLU 39 14.985 1.550 25.790
842 HG2 GLU 39 HG2 GLU 39 14.886 -0.753 26.704
843 HG3 GLU 39 HG3 GLU 39 15.121 -1.401 25.088
844 H GLU 40 H GLU 40 12.719 2.428 26.646
845 HA GLU 40 HA GLU 40 12.254 4.581 24.656
846 HB2 GLU 40 HB2 GLU 40 10.437 4.002 27.021
847 HB3 GLU 40 HB3 GLU 40 10.424 5.499 26.073
848 HG2 GLU 40 HG2 GLU 40 9.825 4.246 24.049
849 HG3 GLU 40 HG3 GLU 40 9.888 2.726 24.930
850 H HIS 41 H HIS 41 12.806 6.599 25.280
851 HA HIS 41 HA HIS 41 14.156 7.050 27.901
852 HB2 HIS 41 HB2 HIS 41 15.496 7.620 25.231
853 HB3 HIS 41 HB3 HIS 41 16.116 8.054 26.806
854 HD2 HIS 41 HD2 HIS 41 15.829 5.094 24.403
855 HE1 HIS 41 HE1 HIS 41 17.879 3.614 27.835
856 HE2 HIS 41 HE2 HIS 41 17.145 3.058 25.464
857 H ALA 42 H ALA 42 14.445 9.308 28.431
858 HA ALA 42 HA ALA 42 12.647 11.177 26.977
859 HB1 ALA 42 HB1 ALA 42 11.285 9.951 28.652
860 HB2 ALA 42 HB2 ALA 42 12.400 10.473 29.933
861 HB3 ALA 42 HB3 ALA 42 11.441 11.672 29.060
862 H PHE 43 H PHE 43 13.039 13.312 27.190
863 HA PHE 43 HA PHE 43 15.412 14.257 28.742
864 HB2 PHE 43 HB2 PHE 43 14.917 14.602 25.772
865 HB3 PHE 43 HB3 PHE 43 16.248 15.304 26.696
866 HD1 PHE 43 HD1 PHE 43 14.994 12.314 24.990
867 HD2 PHE 43 HD2 PHE 43 18.000 13.788 27.730
868 HE1 PHE 43 HE1 PHE 43 16.246 10.191 24.766
869 HE2 PHE 43 HE2 PHE 43 19.250 11.666 27.482
870 HZ PHE 43 HZ PHE 43 18.376 9.852 26.024
871 HA PRO 44 HA PRO 44 11.966 17.222 29.373
872 HB2 PRO 44 HB2 PRO 44 13.723 17.894 31.707
873 HB3 PRO 44 HB3 PRO 44 11.940 17.751 31.638
874 HG2 PRO 44 HG2 PRO 44 13.393 15.734 32.682
875 HG3 PRO 44 HG3 PRO 44 12.057 15.363 31.546
876 HD2 PRO 44 HD2 PRO 44 15.031 15.544 30.954
877 HD3 PRO 44 HD3 PRO 44 13.872 14.273 30.478
878 H GLY 45 H GLY 45 11.747 19.409 29.033
879 HA2 GLY 45 HA2 GLY 45 12.288 21.620 28.684
880 HA3 GLY 45 HA3 GLY 45 13.987 21.283 29.032
881 H LEU 46 H LEU 46 12.917 19.119 26.660
882 HA LEU 46 HA LEU 46 14.054 20.795 24.482
883 HB2 LEU 46 HB2 LEU 46 13.850 17.775 24.670
884 HB3 LEU 46 HB3 LEU 46 14.589 18.687 23.358
885 HG LEU 46 HG LEU 46 15.607 18.465 26.212
886 HD11 LEU 46 HD11 LEU 46 15.964 16.540 24.662
887 HD12 LEU 46 HD12 LEU 46 16.827 17.613 23.548
888 HD13 LEU 46 HD13 LEU 46 17.477 17.317 25.182
889 HD21 LEU 46 HD21 LEU 46 17.602 19.743 25.399
890 HD22 LEU 46 HD22 LEU 46 16.746 20.084 23.887
891 HD23 LEU 46 HD23 LEU 46 16.136 20.728 25.432
892 H ALA 47 H ALA 47 13.329 20.565 22.377
893 HA ALA 47 HA ALA 47 10.813 19.185 21.750
894 HB1 ALA 47 HB1 ALA 47 10.097 21.485 22.215
895 HB2 ALA 47 HB2 ALA 47 11.303 22.115 21.073
896 HB3 ALA 47 HB3 ALA 47 9.955 21.121 20.479
897 H ILE 48 H ILE 48 10.627 18.928 19.308
898 HA ILE 48 HA ILE 48 13.244 18.240 18.161
899 HB ILE 48 HB ILE 48 10.481 18.113 16.927
900 HG12 ILE 48 HG12 ILE 48 12.075 15.696 17.849
901 HG13 ILE 48 HG13 ILE 48 11.069 16.562 18.997
902 HG21 ILE 48 HG21 ILE 48 12.200 18.218 15.174
903 HG22 ILE 48 HG22 ILE 48 13.167 16.983 16.005
904 HG23 ILE 48 HG23 ILE 48 11.605 16.563 15.282
905 HD11 ILE 48 HD11 ILE 48 9.783 14.731 18.082
906 HD12 ILE 48 HD12 ILE 48 9.098 16.264 17.511
907 HD13 ILE 48 HD13 ILE 48 10.100 15.264 16.424
908 H GLY 49 H GLY 49 14.494 19.522 16.946
909 HA2 GLY 49 HA2 GLY 49 13.511 22.277 16.346
910 HA3 GLY 49 HA3 GLY 49 15.169 21.769 16.658
911 H ARG 50 H ARG 50 15.251 19.550 14.795
912 HA ARG 50 HA ARG 50 14.697 20.617 12.107
913 HB2 ARG 50 HB2 ARG 50 16.643 21.922 12.584
914 HB3 ARG 50 HB3 ARG 50 17.485 20.554 13.298
915 HG2 ARG 50 HG2 ARG 50 17.770 19.507 11.118
916 HG3 ARG 50 HG3 ARG 50 16.803 20.777 10.340
917 HD2 ARG 50 HD2 ARG 50 18.439 22.471 10.924
918 HD3 ARG 50 HD3 ARG 50 19.349 21.317 11.923
919 HE ARG 50 HE ARG 50 19.199 20.215 9.318
920 HH11 ARG 50 HH11 ARG 50 20.714 23.046 10.734
921 HH12 ARG 50 HH12 ARG 50 22.083 22.955 9.658
922 HH21 ARG 50 HH21 ARG 50 21.006 20.036 8.159
923 HH22 ARG 50 HH22 ARG 50 22.221 21.300 8.162
924 H VAL 51 H VAL 51 14.905 19.155 10.475
925 HA VAL 51 HA VAL 51 15.806 16.378 11.090
926 HB VAL 51 HB VAL 51 13.171 16.971 9.700
927 HG11 VAL 51 HG11 VAL 51 14.504 14.365 10.530
928 HG12 VAL 51 HG12 VAL 51 12.862 14.515 9.888
929 HG13 VAL 51 HG13 VAL 51 14.234 14.940 8.877
930 HG21 VAL 51 HG21 VAL 51 13.662 15.899 12.511
931 HG22 VAL 51 HG22 VAL 51 12.858 17.409 12.067
932 HG23 VAL 51 HG23 VAL 51 12.098 15.884 11.663
933 H ASP 52 H ASP 52 17.247 15.783 9.613
934 HA ASP 52 HA ASP 52 17.174 16.970 6.850
935 HB2 ASP 52 HB2 ASP 52 19.509 15.858 8.449
936 HB3 ASP 52 HB3 ASP 52 19.562 16.268 6.734
937 H LEU 53 H LEU 53 15.993 15.581 5.611
938 HA LEU 53 HA LEU 53 16.044 12.699 6.069
939 HB2 LEU 53 HB2 LEU 53 14.808 14.342 3.811
940 HB3 LEU 53 HB3 LEU 53 14.573 12.629 4.080
941 HG LEU 53 HG LEU 53 12.634 13.613 4.839
942 HD11 LEU 53 HD11 LEU 53 13.494 11.892 6.373
943 HD12 LEU 53 HD12 LEU 53 14.275 13.154 7.360
944 HD13 LEU 53 HD13 LEU 53 12.513 13.089 7.228
945 HD21 LEU 53 HD21 LEU 53 12.363 15.453 6.349
946 HD22 LEU 53 HD22 LEU 53 14.106 15.585 6.619
947 HD23 LEU 53 HD23 LEU 53 13.427 15.957 5.027
948 H ARG 54 H ARG 54 17.945 14.853 4.174
949 HA ARG 54 HA ARG 54 19.061 12.968 2.271
950 HB2 ARG 54 HB2 ARG 54 20.182 15.523 3.517
951 HB3 ARG 54 HB3 ARG 54 20.942 14.625 2.189
952 HG2 ARG 54 HG2 ARG 54 18.886 14.976 0.804
953 HG3 ARG 54 HG3 ARG 54 18.172 15.916 2.126
954 HD2 ARG 54 HD2 ARG 54 19.062 17.464 0.523
955 HD3 ARG 54 HD3 ARG 54 20.070 17.530 1.975
956 HE ARG 54 HE ARG 54 21.095 15.662 -0.004
957 HH11 ARG 54 HH11 ARG 54 21.065 19.084 0.737
958 HH12 ARG 54 HH12 ARG 54 22.536 19.387 -0.148
959 HH21 ARG 54 HH21 ARG 54 22.997 16.109 -1.085
960 HH22 ARG 54 HH22 ARG 54 23.597 17.746 -1.156
961 H SER 55 H SER 55 19.581 13.389 5.678
962 HA SER 55 HA SER 55 21.888 11.464 5.626
963 HB2 SER 55 HB2 SER 55 21.393 13.727 7.598
964 HB3 SER 55 HB3 SER 55 22.737 12.580 7.636
965 HG SER 55 HG SER 55 22.182 14.575 5.674
966 H GLY 56 H GLY 56 18.710 12.037 6.942
967 HA2 GLY 56 HA2 GLY 56 17.357 10.653 8.183
968 HA3 GLY 56 HA3 GLY 56 18.649 9.454 8.304
969 H VAL 57 H VAL 57 18.919 12.866 9.310
970 HA VAL 57 HA VAL 57 19.289 11.952 12.142
971 HB VAL 57 HB VAL 57 20.803 14.230 10.852
972 HG11 VAL 57 HG11 VAL 57 21.116 12.795 13.539
973 HG12 VAL 57 HG12 VAL 57 22.225 14.025 12.903
974 HG13 VAL 57 HG13 VAL 57 20.561 14.471 13.299
975 HG21 VAL 57 HG21 VAL 57 21.719 11.392 11.470
976 HG22 VAL 57 HG22 VAL 57 21.613 12.135 9.864
977 HG23 VAL 57 HG23 VAL 57 22.793 12.735 11.025
978 H ILE 58 H ILE 58 18.291 12.939 13.682
979 HA ILE 58 HA ILE 58 16.475 15.263 13.181
980 HB ILE 58 HB ILE 58 16.273 12.802 14.939
981 HG12 ILE 58 HG12 ILE 58 14.426 13.758 12.722
982 HG13 ILE 58 HG13 ILE 58 15.711 12.574 12.501
983 HG21 ILE 58 HG21 ILE 58 14.420 15.208 14.904
984 HG22 ILE 58 HG22 ILE 58 14.089 13.660 15.710
985 HG23 ILE 58 HG23 ILE 58 15.415 14.637 16.275
986 HD11 ILE 58 HD11 ILE 58 14.589 11.112 14.228
987 HD12 ILE 58 HD12 ILE 58 13.201 12.237 14.142
988 HD13 ILE 58 HD13 ILE 58 13.703 11.352 12.707
989 H SER 59 H SER 59 17.111 17.085 14.210
990 HA SER 59 HA SER 59 18.941 16.931 16.565
991 HB2 SER 59 HB2 SER 59 18.300 19.310 14.815
992 HB3 SER 59 HB3 SER 59 19.548 19.219 16.074
993 HG SER 59 HG SER 59 20.697 17.763 14.825
994 H LEU 60 H LEU 60 18.281 17.533 18.525
995 HA LEU 60 HA LEU 60 15.597 18.778 18.884
996 HB2 LEU 60 HB2 LEU 60 17.399 17.648 21.013
997 HB3 LEU 60 HB3 LEU 60 15.687 18.056 21.145
998 HG LEU 60 HG LEU 60 16.908 15.721 19.607
999 HD11 LEU 60 HD11 LEU 60 16.747 15.442 22.047
1000 HD12 LEU 60 HD12 LEU 60 15.036 15.894 21.993
1001 HD13 LEU 60 HD13 LEU 60 15.601 14.391 21.211
1002 HD21 LEU 60 HD21 LEU 60 14.994 16.529 18.294
1003 HD22 LEU 60 HD22 LEU 60 14.529 15.050 19.145
1004 HD23 LEU 60 HD23 LEU 60 14.002 16.626 19.756
1005 H ILE 61 H ILE 61 15.277 20.525 20.270
1006 HA ILE 61 HA ILE 61 17.561 22.288 20.970
1007 HB ILE 61 HB ILE 61 16.300 24.271 20.146
1008 HG12 ILE 61 HG12 ILE 61 14.724 23.776 18.138
1009 HG13 ILE 61 HG13 ILE 61 14.443 22.222 18.903
1010 HG21 ILE 61 HG21 ILE 61 17.028 24.073 17.852
1011 HG22 ILE 61 HG22 ILE 61 18.196 23.271 18.916
1012 HG23 ILE 61 HG23 ILE 61 17.054 22.304 17.965
1013 HD11 ILE 61 HD11 ILE 61 12.707 23.915 19.383
1014 HD12 ILE 61 HD12 ILE 61 13.490 23.381 20.871
1015 HD13 ILE 61 HD13 ILE 61 13.910 24.962 20.153
1016 H GLU 62 H GLU 62 16.948 24.025 22.534
1017 HA GLU 62 HA GLU 62 15.288 22.946 24.661
1018 HB2 GLU 62 HB2 GLU 62 16.615 25.663 24.334
1019 HB3 GLU 62 HB3 GLU 62 15.744 25.132 25.777
1020 HG2 GLU 62 HG2 GLU 62 17.309 23.145 25.919
1021 HG3 GLU 62 HG3 GLU 62 18.259 23.856 24.620
1022 H GLU 63 H GLU 63 13.220 23.345 25.209
1023 HA GLU 63 HA GLU 63 11.541 24.041 23.028
1024 HB2 GLU 63 HB2 GLU 63 9.736 23.273 24.393
1025 HB3 GLU 63 HB3 GLU 63 11.123 22.240 24.572
1026 HG2 GLU 63 HG2 GLU 63 10.527 22.325 26.747
1027 HG3 GLU 63 HG3 GLU 63 11.638 23.683 26.743
1028 H GLN 64 H GLN 64 12.538 26.067 25.682
1029 HA GLN 64 HA GLN 64 11.110 28.325 24.438
1030 HB2 GLN 64 HB2 GLN 64 10.917 27.633 27.382
1031 HB3 GLN 64 HB3 GLN 64 10.678 29.271 26.770
1032 HG2 GLN 64 HG2 GLN 64 8.832 28.553 25.332
1033 HG3 GLN 64 HG3 GLN 64 9.035 26.879 25.846
1034 HE21 GLN 64 HE21 GLN 64 8.766 26.421 28.235
1035 HE22 GLN 64 HE22 GLN 64 7.571 27.413 29.104
1036 H ASN 65 H ASN 65 12.184 30.220 24.495
1037 HA ASN 65 HA ASN 65 14.961 30.303 25.577
1038 HB2 ASN 65 HB2 ASN 65 14.160 30.757 22.671
1039 HB3 ASN 65 HB3 ASN 65 15.779 30.937 23.333
1040 HD21 ASN 65 HD21 ASN 65 13.458 28.662 22.107
1041 HD22 ASN 65 HD22 ASN 65 14.401 27.212 22.435
1042 H ARG 66 H ARG 66 12.697 31.634 26.575
1043 HA ARG 66 HA ARG 66 12.300 34.313 25.616
1044 HB2 ARG 66 HB2 ARG 66 11.777 33.122 28.380
1045 HB3 ARG 66 HB3 ARG 66 11.146 34.658 27.777
1046 HG2 ARG 66 HG2 ARG 66 9.899 33.456 25.989
1047 HG3 ARG 66 HG3 ARG 66 10.517 31.910 26.610
1048 HD2 ARG 66 HD2 ARG 66 9.478 32.428 28.833
1049 HD3 ARG 66 HD3 ARG 66 8.729 33.858 28.123
1050 HE ARG 66 HE ARG 66 8.055 31.012 27.645
1051 HH11 ARG 66 HH11 ARG 66 7.315 34.296 26.650
1052 HH12 ARG 66 HH12 ARG 66 5.813 33.803 25.905
1053 HH21 ARG 66 HH21 ARG 66 6.268 30.469 26.698
1054 HH22 ARG 66 HH22 ARG 66 5.214 31.662 25.933
Start of MODEL 9
1 H1 GLY -3 H1 GLY -3 27.543 7.046 3.711
2 H2 GLY -3 H2 GLY -3 28.402 5.669 3.435
3 H3 GLY -3 H3 GLY -3 28.956 6.786 4.495
4 HA2 GLY -3 HA2 GLY -3 28.051 4.929 5.693
5 HA3 GLY -3 HA3 GLY -3 27.120 6.408 5.980
6 HA PRO -2 HA PRO -2 24.043 3.143 4.952
7 HB2 PRO -2 HB2 PRO -2 22.381 5.071 6.560
8 HB3 PRO -2 HB3 PRO -2 22.386 3.285 6.595
9 HG2 PRO -2 HG2 PRO -2 23.649 4.652 8.545
10 HG3 PRO -2 HG3 PRO -2 24.466 3.238 7.800
11 HD2 PRO -2 HD2 PRO -2 24.854 6.177 7.158
12 HD3 PRO -2 HD3 PRO -2 26.086 4.916 7.455
13 H GLY -1 H GLY -1 22.132 3.121 3.707
14 HA2 GLY -1 HA2 GLY -1 21.195 5.620 2.377
15 HA3 GLY -1 HA3 GLY -1 21.828 4.305 1.377
16 H SER 0 H SER 0 20.107 3.269 4.219
17 HA SER 0 HA SER 0 17.969 2.073 2.653
18 HB2 SER 0 HB2 SER 0 17.280 1.167 4.876
19 HB3 SER 0 HB3 SER 0 18.986 0.866 4.513
20 HG SER 0 HG SER 0 18.593 1.702 6.664
21 H MET 1 H MET 1 18.316 4.972 4.491
22 HA MET 1 HA MET 1 15.565 5.592 5.030
23 HB2 MET 1 HB2 MET 1 16.480 7.905 5.336
24 HB3 MET 1 HB3 MET 1 17.275 6.671 6.295
25 HG2 MET 1 HG2 MET 1 18.425 7.346 3.588
26 HG3 MET 1 HG3 MET 1 18.611 8.534 4.876
27 HE1 MET 1 HE1 MET 1 19.064 6.813 7.526
28 HE2 MET 1 HE2 MET 1 20.837 6.780 7.513
29 HE3 MET 1 HE3 MET 1 19.958 8.250 7.023
30 H CYS 2 H CYS 2 14.432 7.434 4.182
31 HA CYS 2 HA CYS 2 14.877 8.351 1.450
32 HB2 CYS 2 HB2 CYS 2 13.657 6.113 1.241
33 HB3 CYS 2 HB3 CYS 2 12.307 6.855 2.118
34 HG CYS 2 HG CYS 2 13.716 7.637 -0.784
35 H MET 3 H MET 3 13.176 10.052 0.890
36 HA MET 3 HA MET 3 12.923 11.974 2.964
37 HB2 MET 3 HB2 MET 3 11.486 11.770 0.293
38 HB3 MET 3 HB3 MET 3 11.373 13.132 1.399
39 HG2 MET 3 HG2 MET 3 12.995 13.840 -0.090
40 HG3 MET 3 HG3 MET 3 13.904 13.305 1.324
41 HE1 MET 3 HE1 MET 3 12.350 11.053 -1.694
42 HE2 MET 3 HE2 MET 3 12.761 12.706 -2.212
43 HE3 MET 3 HE3 MET 3 13.693 11.308 -2.820
44 H ALA 4 H ALA 4 11.291 12.698 4.192
45 HA ALA 4 HA ALA 4 9.150 10.835 4.937
46 HB1 ALA 4 HB1 ALA 4 8.822 12.520 6.774
47 HB2 ALA 4 HB2 ALA 4 10.481 11.905 6.652
48 HB3 ALA 4 HB3 ALA 4 10.075 13.522 6.038
49 H LYS 5 H LYS 5 7.036 11.949 5.577
50 HA LYS 5 HA LYS 5 6.164 14.112 3.725
51 HB2 LYS 5 HB2 LYS 5 3.882 13.189 3.680
52 HB3 LYS 5 HB3 LYS 5 5.048 12.246 2.778
53 HG2 LYS 5 HG2 LYS 5 4.391 11.415 5.611
54 HG3 LYS 5 HG3 LYS 5 3.200 11.156 4.348
55 HD2 LYS 5 HD2 LYS 5 4.772 9.816 3.034
56 HD3 LYS 5 HD3 LYS 5 6.042 10.065 4.251
57 HE2 LYS 5 HE2 LYS 5 4.666 8.958 5.964
58 HE3 LYS 5 HE3 LYS 5 3.326 8.784 4.815
59 HZ1 LYS 5 HZ1 LYS 5 4.783 7.312 3.491
60 HZ2 LYS 5 HZ2 LYS 5 5.980 7.452 4.617
61 HZ3 LYS 5 HZ3 LYS 5 4.600 6.733 5.021
62 H VAL 6 H VAL 6 5.216 15.805 4.647
63 HA VAL 6 HA VAL 6 4.973 15.817 7.625
64 HB VAL 6 HB VAL 6 5.110 18.224 5.795
65 HG11 VAL 6 HG11 VAL 6 5.790 19.401 7.876
66 HG12 VAL 6 HG12 VAL 6 4.153 18.773 7.966
67 HG13 VAL 6 HG13 VAL 6 5.474 17.921 8.800
68 HG21 VAL 6 HG21 VAL 6 7.224 17.022 5.553
69 HG22 VAL 6 HG22 VAL 6 7.462 18.473 6.521
70 HG23 VAL 6 HG23 VAL 6 7.385 16.896 7.322
71 H VAL 7 H VAL 7 3.081 16.435 8.640
72 HA VAL 7 HA VAL 7 0.862 17.518 6.993
73 HB VAL 7 HB VAL 7 0.394 15.156 7.236
74 HG11 VAL 7 HG11 VAL 7 -0.151 14.127 9.397
75 HG12 VAL 7 HG12 VAL 7 1.536 14.634 9.350
76 HG13 VAL 7 HG13 VAL 7 0.339 15.597 10.246
77 HG21 VAL 7 HG21 VAL 7 -1.483 16.816 7.229
78 HG22 VAL 7 HG22 VAL 7 -1.863 15.291 8.048
79 HG23 VAL 7 HG23 VAL 7 -1.514 16.736 9.008
80 H LEU 8 H LEU 8 -0.428 19.026 7.926
81 HA LEU 8 HA LEU 8 -0.063 19.823 10.731
82 HB2 LEU 8 HB2 LEU 8 0.674 22.075 10.212
83 HB3 LEU 8 HB3 LEU 8 1.771 20.887 9.536
84 HG LEU 8 HG LEU 8 0.299 21.298 7.325
85 HD11 LEU 8 HD11 LEU 8 -1.262 22.950 8.288
86 HD12 LEU 8 HD12 LEU 8 0.097 23.946 8.849
87 HD13 LEU 8 HD13 LEU 8 -0.212 23.747 7.117
88 HD21 LEU 8 HD21 LEU 8 2.727 21.627 7.526
89 HD22 LEU 8 HD22 LEU 8 1.977 22.902 6.581
90 HD23 LEU 8 HD23 LEU 8 2.465 23.220 8.268
91 H THR 9 H THR 9 -1.539 21.457 11.443
92 HA THR 9 HA THR 9 -4.020 21.784 9.803
93 HB THR 9 HB THR 9 -3.857 21.929 12.827
94 HG1 THR 9 HG1 THR 9 -3.443 19.829 12.146
95 HG21 THR 9 HG21 THR 9 -5.817 23.091 11.864
96 HG22 THR 9 HG22 THR 9 -6.206 21.648 10.892
97 HG23 THR 9 HG23 THR 9 -6.322 21.595 12.662
98 H LYS 10 H LYS 10 -4.623 23.770 9.303
99 HA LYS 10 HA LYS 10 -2.883 26.067 9.924
100 HB2 LYS 10 HB2 LYS 10 -5.415 25.788 8.238
101 HB3 LYS 10 HB3 LYS 10 -4.404 27.236 8.335
102 HG2 LYS 10 HG2 LYS 10 -2.459 25.850 7.466
103 HG3 LYS 10 HG3 LYS 10 -3.612 24.553 7.132
104 HD2 LYS 10 HD2 LYS 10 -3.791 27.405 6.040
105 HD3 LYS 10 HD3 LYS 10 -3.116 26.031 5.153
106 HE2 LYS 10 HE2 LYS 10 -5.198 24.949 4.929
107 HE3 LYS 10 HE3 LYS 10 -5.943 25.883 6.231
108 HZ1 LYS 10 HZ1 LYS 10 -5.101 27.083 3.662
109 HZ2 LYS 10 HZ2 LYS 10 -6.633 26.642 4.013
110 HZ3 LYS 10 HZ3 LYS 10 -5.925 27.835 4.871
111 H ALA 11 H ALA 11 -3.764 28.143 10.598
112 HA ALA 11 HA ALA 11 -5.570 28.165 12.829
113 HB1 ALA 11 HB1 ALA 11 -4.667 30.432 11.003
114 HB2 ALA 11 HB2 ALA 11 -5.390 30.598 12.620
115 HB3 ALA 11 HB3 ALA 11 -3.793 29.854 12.438
116 H ASP 12 H ASP 12 -6.148 28.252 9.380
117 HA ASP 12 HA ASP 12 -8.878 29.216 9.374
118 HB2 ASP 12 HB2 ASP 12 -7.471 27.299 7.455
119 HB3 ASP 12 HB3 ASP 12 -8.949 28.193 7.125
120 H GLY 13 H GLY 13 -7.598 26.324 10.680
121 HA2 GLY 13 HA2 GLY 13 -8.640 24.469 11.573
122 HA3 GLY 13 HA3 GLY 13 -10.183 24.966 10.883
123 H GLY 14 H GLY 14 -8.310 25.130 8.240
124 HA2 GLY 14 HA2 GLY 14 -8.877 22.452 7.191
125 HA3 GLY 14 HA3 GLY 14 -8.070 23.775 6.347
126 H ARG 15 H ARG 15 -7.072 21.310 5.974
127 HA ARG 15 HA ARG 15 -4.523 21.252 7.540
128 HB2 ARG 15 HB2 ARG 15 -6.320 18.922 6.789
129 HB3 ARG 15 HB3 ARG 15 -4.608 18.719 7.210
130 HG2 ARG 15 HG2 ARG 15 -4.955 19.823 9.352
131 HG3 ARG 15 HG3 ARG 15 -6.682 20.023 9.017
132 HD2 ARG 15 HD2 ARG 15 -7.038 17.635 9.025
133 HD3 ARG 15 HD3 ARG 15 -5.299 17.321 9.134
134 HE ARG 15 HE ARG 15 -5.564 18.827 11.317
135 HH11 ARG 15 HH11 ARG 15 -7.645 16.154 10.400
136 HH12 ARG 15 HH12 ARG 15 -8.078 15.824 12.063
137 HH21 ARG 15 HH21 ARG 15 -6.133 18.362 13.340
138 HH22 ARG 15 HH22 ARG 15 -7.219 17.047 13.694
139 H VAL 16 H VAL 16 -2.710 20.451 6.586
140 HA VAL 16 HA VAL 16 -2.595 20.466 3.598
141 HB VAL 16 HB VAL 16 -0.803 22.064 5.462
142 HG11 VAL 16 HG11 VAL 16 -0.663 21.740 2.437
143 HG12 VAL 16 HG12 VAL 16 0.247 22.929 3.383
144 HG13 VAL 16 HG13 VAL 16 0.557 21.218 3.630
145 HG21 VAL 16 HG21 VAL 16 -2.940 23.208 5.089
146 HG22 VAL 16 HG22 VAL 16 -1.654 24.037 4.218
147 HG23 VAL 16 HG23 VAL 16 -2.784 22.975 3.337
148 H GLU 17 H GLU 17 -1.130 19.107 2.710
149 HA GLU 17 HA GLU 17 0.665 17.514 4.453
150 HB2 GLU 17 HB2 GLU 17 -1.096 16.447 2.226
151 HB3 GLU 17 HB3 GLU 17 0.218 15.558 2.990
152 HG2 GLU 17 HG2 GLU 17 -0.903 15.634 5.155
153 HG3 GLU 17 HG3 GLU 17 -2.184 16.662 4.505
154 H ILE 18 H ILE 18 2.668 17.082 3.657
155 HA ILE 18 HA ILE 18 3.419 18.195 0.973
156 HB ILE 18 HB ILE 18 4.917 18.724 3.567
157 HG12 ILE 18 HG12 ILE 18 3.159 20.653 1.985
158 HG13 ILE 18 HG13 ILE 18 2.764 19.953 3.560
159 HG21 ILE 18 HG21 ILE 18 6.286 20.240 2.198
160 HG22 ILE 18 HG22 ILE 18 6.336 18.631 1.517
161 HG23 ILE 18 HG23 ILE 18 5.307 19.877 0.761
162 HD11 ILE 18 HD11 ILE 18 4.931 21.960 2.998
163 HD12 ILE 18 HD12 ILE 18 3.499 22.102 4.030
164 HD13 ILE 18 HD13 ILE 18 4.816 21.023 4.519
165 H GLY 19 H GLY 19 4.201 16.539 -0.144
166 HA2 GLY 19 HA2 GLY 19 5.542 14.244 1.144
167 HA3 GLY 19 HA3 GLY 19 5.037 14.378 -0.543
168 H ASP 20 H ASP 20 7.454 13.316 0.272
169 HA ASP 20 HA ASP 20 9.651 13.268 -0.152
170 HB2 ASP 20 HB2 ASP 20 9.115 15.094 -2.500
171 HB3 ASP 20 HB3 ASP 20 10.374 13.890 -2.311
172 H VAL 21 H VAL 21 9.266 14.982 1.912
173 HA VAL 21 HA VAL 21 10.709 17.479 1.516
174 HB VAL 21 HB VAL 21 8.886 17.186 3.187
175 HG11 VAL 21 HG11 VAL 21 9.585 15.032 4.202
176 HG12 VAL 21 HG12 VAL 21 11.008 15.839 4.901
177 HG13 VAL 21 HG13 VAL 21 9.390 16.313 5.405
178 HG21 VAL 21 HG21 VAL 21 10.447 19.099 3.231
179 HG22 VAL 21 HG22 VAL 21 9.921 18.633 4.856
180 HG23 VAL 21 HG23 VAL 21 11.534 18.163 4.289
181 H LEU 22 H LEU 22 12.823 17.858 1.574
182 HA LEU 22 HA LEU 22 14.776 15.705 2.173
183 HB2 LEU 22 HB2 LEU 22 15.094 18.582 1.240
184 HB3 LEU 22 HB3 LEU 22 16.422 17.456 1.473
185 HG LEU 22 HG LEU 22 14.184 17.071 -0.563
186 HD11 LEU 22 HD11 LEU 22 15.894 17.692 -2.215
187 HD12 LEU 22 HD12 LEU 22 15.606 19.019 -1.079
188 HD13 LEU 22 HD13 LEU 22 17.058 18.005 -0.914
189 HD21 LEU 22 HD21 LEU 22 16.843 15.610 -0.237
190 HD22 LEU 22 HD22 LEU 22 15.246 14.943 0.132
191 HD23 LEU 22 HD23 LEU 22 15.652 15.362 -1.538
192 H GLU 23 H GLU 23 13.612 18.797 3.510
193 HA GLU 23 HA GLU 23 14.774 18.159 6.122
194 HB2 GLU 23 HB2 GLU 23 16.630 19.250 5.138
195 HB3 GLU 23 HB3 GLU 23 15.644 20.581 4.504
196 HG2 GLU 23 HG2 GLU 23 15.215 21.416 6.753
197 HG3 GLU 23 HG3 GLU 23 16.010 20.010 7.473
198 H VAL 24 H VAL 24 13.734 19.040 7.810
199 HA VAL 24 HA VAL 24 11.815 21.254 7.421
200 HB VAL 24 HB VAL 24 10.470 19.246 7.395
201 HG11 VAL 24 HG11 VAL 24 11.805 17.662 8.573
202 HG12 VAL 24 HG12 VAL 24 11.609 18.553 10.107
203 HG13 VAL 24 HG13 VAL 24 10.206 17.786 9.324
204 HG21 VAL 24 HG21 VAL 24 8.861 19.809 9.092
205 HG22 VAL 24 HG22 VAL 24 10.087 20.593 10.095
206 HG23 VAL 24 HG23 VAL 24 9.602 21.318 8.552
207 H ARG 25 H ARG 25 11.713 22.688 9.142
208 HA ARG 25 HA ARG 25 13.132 22.113 11.665
209 HB2 ARG 25 HB2 ARG 25 14.551 24.188 11.418
210 HB3 ARG 25 HB3 ARG 25 15.032 22.819 10.411
211 HG2 ARG 25 HG2 ARG 25 14.138 23.798 8.426
212 HG3 ARG 25 HG3 ARG 25 13.254 25.018 9.347
213 HD2 ARG 25 HD2 ARG 25 15.037 26.205 8.450
214 HD3 ARG 25 HD3 ARG 25 15.475 25.911 10.140
215 HE ARG 25 HE ARG 25 16.555 23.866 8.365
216 HH11 ARG 25 HH11 ARG 25 17.192 27.162 9.466
217 HH12 ARG 25 HH12 ARG 25 18.876 27.053 8.968
218 HH21 ARG 25 HH21 ARG 25 18.545 23.838 7.751
219 HH22 ARG 25 HH22 ARG 25 19.658 25.181 8.014
220 H ALA 26 H ALA 26 12.694 23.452 13.342
221 HA ALA 26 HA ALA 26 10.426 25.377 13.040
222 HB1 ALA 26 HB1 ALA 26 11.558 24.014 15.514
223 HB2 ALA 26 HB2 ALA 26 10.188 25.145 15.485
224 HB3 ALA 26 HB3 ALA 26 10.053 23.567 14.682
225 H GLU 27 H GLU 27 11.122 27.403 12.725
226 HA GLU 27 HA GLU 27 13.420 28.504 14.222
227 HB2 GLU 27 HB2 GLU 27 14.426 27.300 12.293
228 HB3 GLU 27 HB3 GLU 27 13.480 28.314 11.187
229 HG2 GLU 27 HG2 GLU 27 14.630 30.328 12.020
230 HG3 GLU 27 HG3 GLU 27 15.451 29.367 13.255
231 H GLY 28 H GLY 28 13.155 30.608 14.692
232 HA2 GLY 28 HA2 GLY 28 12.455 32.779 14.635
233 HA3 GLY 28 HA3 GLY 28 12.312 32.597 12.880
234 H GLY 29 H GLY 29 10.390 30.903 15.379
235 HA2 GLY 29 HA2 GLY 29 8.166 31.065 15.984
236 HA3 GLY 29 HA3 GLY 29 8.039 32.586 15.104
237 H ALA 30 H ALA 30 9.158 29.830 13.269
238 HA ALA 30 HA ALA 30 6.477 29.038 12.343
239 HB1 ALA 30 HB1 ALA 30 8.599 30.169 10.454
240 HB2 ALA 30 HB2 ALA 30 7.031 29.481 9.982
241 HB3 ALA 30 HB3 ALA 30 7.093 30.996 10.913
242 H VAL 31 H VAL 31 6.469 27.033 11.189
243 HA VAL 31 HA VAL 31 9.059 25.532 11.204
244 HB VAL 31 HB VAL 31 6.249 24.506 10.812
245 HG11 VAL 31 HG11 VAL 31 7.388 22.249 10.581
246 HG12 VAL 31 HG12 VAL 31 7.591 23.289 9.171
247 HG13 VAL 31 HG13 VAL 31 8.918 23.094 10.337
248 HG21 VAL 31 HG21 VAL 31 6.850 23.139 12.739
249 HG22 VAL 31 HG22 VAL 31 8.526 23.750 12.715
250 HG23 VAL 31 HG23 VAL 31 7.198 24.837 13.131
251 H ARG 32 H ARG 32 10.073 24.958 9.400
252 HA ARG 32 HA ARG 32 9.130 26.081 6.792
253 HB2 ARG 32 HB2 ARG 32 11.975 26.297 7.847
254 HB3 ARG 32 HB3 ARG 32 11.304 27.038 6.390
255 HG2 ARG 32 HG2 ARG 32 9.838 28.473 7.814
256 HG3 ARG 32 HG3 ARG 32 10.532 27.726 9.262
257 HD2 ARG 32 HD2 ARG 32 12.802 28.510 8.504
258 HD3 ARG 32 HD3 ARG 32 11.981 29.467 7.259
259 HE ARG 32 HE ARG 32 11.554 29.724 10.240
260 HH11 ARG 32 HH11 ARG 32 11.666 31.400 7.143
261 HH12 ARG 32 HH12 ARG 32 11.261 32.920 7.898
262 HH21 ARG 32 HH21 ARG 32 11.079 31.586 11.074
263 HH22 ARG 32 HH22 ARG 32 10.926 33.036 10.094
264 H VAL 33 H VAL 33 9.683 24.909 4.989
265 HA VAL 33 HA VAL 33 11.074 22.288 5.388
266 HB VAL 33 HB VAL 33 9.421 21.226 3.892
267 HG11 VAL 33 HG11 VAL 33 7.632 20.952 5.552
268 HG12 VAL 33 HG12 VAL 33 9.236 20.911 6.281
269 HG13 VAL 33 HG13 VAL 33 8.230 22.368 6.450
270 HG21 VAL 33 HG21 VAL 33 7.728 23.715 4.300
271 HG22 VAL 33 HG22 VAL 33 8.471 23.215 2.768
272 HG23 VAL 33 HG23 VAL 33 7.224 22.208 3.517
273 H THR 34 H THR 34 12.105 21.397 3.653
274 HA THR 34 HA THR 34 12.223 22.900 1.065
275 HB THR 34 HB THR 34 14.569 21.487 2.387
276 HG1 THR 34 HG1 THR 34 14.077 23.474 3.376
277 HG21 THR 34 HG21 THR 34 14.342 23.143 -0.171
278 HG22 THR 34 HG22 THR 34 15.866 22.580 0.563
279 HG23 THR 34 HG23 THR 34 14.706 21.406 -0.073
280 H THR 35 H THR 35 11.602 21.666 -0.602
281 HA THR 35 HA THR 35 11.217 18.736 -0.181
282 HB THR 35 HB THR 35 9.665 18.802 -2.015
283 HG1 THR 35 HG1 THR 35 10.215 21.558 -2.224
284 HG21 THR 35 HG21 THR 35 9.107 21.183 -0.204
285 HG22 THR 35 HG22 THR 35 7.928 20.239 -1.137
286 HG23 THR 35 HG23 THR 35 8.802 19.489 0.214
287 H LEU 36 H LEU 36 11.485 17.267 -1.932
288 HA LEU 36 HA LEU 36 13.936 16.946 -3.134
289 HB2 LEU 36 HB2 LEU 36 12.135 15.290 -2.882
290 HB3 LEU 36 HB3 LEU 36 11.134 16.150 -4.034
291 HG LEU 36 HG LEU 36 12.799 15.622 -5.846
292 HD11 LEU 36 HD11 LEU 36 14.821 15.276 -4.484
293 HD12 LEU 36 HD12 LEU 36 14.040 13.929 -3.627
294 HD13 LEU 36 HD13 LEU 36 14.430 13.783 -5.354
295 HD21 LEU 36 HD21 LEU 36 12.166 13.270 -6.042
296 HD22 LEU 36 HD22 LEU 36 11.699 13.227 -4.333
297 HD23 LEU 36 HD23 LEU 36 10.801 14.245 -5.477
298 H PHE 37 H PHE 37 11.299 18.938 -4.348
299 HA PHE 37 HA PHE 37 12.443 19.272 -7.017
300 HB2 PHE 37 HB2 PHE 37 10.063 20.692 -5.782
301 HB3 PHE 37 HB3 PHE 37 10.392 20.417 -7.497
302 HD1 PHE 37 HD1 PHE 37 8.661 19.172 -4.611
303 HD2 PHE 37 HD2 PHE 37 10.560 17.881 -8.264
304 HE1 PHE 37 HE1 PHE 37 7.480 16.992 -4.455
305 HE2 PHE 37 HE2 PHE 37 9.390 15.700 -8.097
306 HZ PHE 37 HZ PHE 37 7.848 15.254 -6.182
307 H ASP 38 H ASP 38 13.552 20.499 -4.290
308 HA ASP 38 HA ASP 38 14.581 22.287 -3.493
309 HB2 ASP 38 HB2 ASP 38 14.836 23.355 -6.324
310 HB3 ASP 38 HB3 ASP 38 15.755 23.860 -4.916
311 H GLU 39 H GLU 39 11.562 22.398 -4.197
312 HA GLU 39 HA GLU 39 11.030 25.281 -3.914
313 HB2 GLU 39 HB2 GLU 39 9.518 23.863 -5.266
314 HB3 GLU 39 HB3 GLU 39 9.159 22.897 -3.839
315 HG2 GLU 39 HG2 GLU 39 7.330 24.418 -4.298
316 HG3 GLU 39 HG3 GLU 39 8.070 24.839 -2.771
317 H GLU 40 H GLU 40 10.126 26.258 -2.094
318 HA GLU 40 HA GLU 40 10.442 24.836 0.516
319 HB2 GLU 40 HB2 GLU 40 11.512 27.583 -0.209
320 HB3 GLU 40 HB3 GLU 40 11.418 26.942 1.439
321 HG2 GLU 40 HG2 GLU 40 12.955 25.144 0.889
322 HG3 GLU 40 HG3 GLU 40 12.987 25.627 -0.809
323 H HIS 41 H HIS 41 9.189 25.532 2.212
324 HA HIS 41 HA HIS 41 7.137 27.625 1.795
325 HB2 HIS 41 HB2 HIS 41 6.398 24.809 2.655
326 HB3 HIS 41 HB3 HIS 41 5.312 26.182 2.539
327 HD2 HIS 41 HD2 HIS 41 6.704 23.333 0.523
328 HE1 HIS 41 HE1 HIS 41 4.634 25.781 -2.295
329 HE2 HIS 41 HE2 HIS 41 5.759 23.520 -1.931
330 H ALA 42 H ALA 42 6.080 28.284 3.796
331 HA ALA 42 HA ALA 42 7.346 27.429 6.315
332 HB1 ALA 42 HB1 ALA 42 7.813 29.764 6.975
333 HB2 ALA 42 HB2 ALA 42 8.754 29.272 5.555
334 HB3 ALA 42 HB3 ALA 42 7.330 30.313 5.350
335 H PHE 43 H PHE 43 6.146 27.718 8.121
336 HA PHE 43 HA PHE 43 3.280 28.517 7.871
337 HB2 PHE 43 HB2 PHE 43 4.410 25.928 8.952
338 HB3 PHE 43 HB3 PHE 43 2.709 26.404 8.959
339 HD1 PHE 43 HD1 PHE 43 1.456 26.640 6.780
340 HD2 PHE 43 HD2 PHE 43 5.454 25.021 6.984
341 HE1 PHE 43 HE1 PHE 43 1.216 25.724 4.479
342 HE2 PHE 43 HE2 PHE 43 5.202 24.101 4.701
343 HZ PHE 43 HZ PHE 43 3.084 24.459 3.438
344 HA PRO 44 HA PRO 44 5.000 30.548 11.582
345 HB2 PRO 44 HB2 PRO 44 2.468 32.117 11.224
346 HB3 PRO 44 HB3 PRO 44 4.112 32.694 11.655
347 HG2 PRO 44 HG2 PRO 44 3.231 32.988 9.122
348 HG3 PRO 44 HG3 PRO 44 4.891 32.371 9.413
349 HD2 PRO 44 HD2 PRO 44 2.395 30.757 8.797
350 HD3 PRO 44 HD3 PRO 44 4.028 30.664 8.061
351 H GLY 45 H GLY 45 4.571 30.490 13.759
352 HA2 GLY 45 HA2 GLY 45 3.458 30.095 15.756
353 HA3 GLY 45 HA3 GLY 45 1.965 29.795 14.867
354 H LEU 46 H LEU 46 4.286 27.757 13.532
355 HA LEU 46 HA LEU 46 3.309 25.481 15.142
356 HB2 LEU 46 HB2 LEU 46 4.691 25.506 12.443
357 HB3 LEU 46 HB3 LEU 46 4.075 24.075 13.260
358 HG LEU 46 HG LEU 46 2.434 26.366 12.118
359 HD11 LEU 46 HD11 LEU 46 1.599 24.657 10.602
360 HD12 LEU 46 HD12 LEU 46 3.370 24.603 10.562
361 HD13 LEU 46 HD13 LEU 46 2.474 23.382 11.476
362 HD21 LEU 46 HD21 LEU 46 1.487 23.892 13.632
363 HD22 LEU 46 HD22 LEU 46 1.289 25.576 14.161
364 HD23 LEU 46 HD23 LEU 46 0.441 25.004 12.729
365 H ALA 47 H ALA 47 4.638 23.706 15.619
366 HA ALA 47 HA ALA 47 7.564 23.906 15.389
367 HB1 ALA 47 HB1 ALA 47 7.217 24.666 17.674
368 HB2 ALA 47 HB2 ALA 47 6.146 23.278 18.015
369 HB3 ALA 47 HB3 ALA 47 7.890 23.032 17.706
370 H ILE 48 H ILE 48 8.599 21.740 15.613
371 HA ILE 48 HA ILE 48 7.010 19.665 14.281
372 HB ILE 48 HB ILE 48 9.842 19.572 15.335
373 HG12 ILE 48 HG12 ILE 48 9.032 19.742 12.405
374 HG13 ILE 48 HG13 ILE 48 9.261 21.200 13.360
375 HG21 ILE 48 HG21 ILE 48 10.033 17.555 13.828
376 HG22 ILE 48 HG22 ILE 48 8.940 17.305 15.182
377 HG23 ILE 48 HG23 ILE 48 8.282 17.628 13.562
378 HD11 ILE 48 HD11 ILE 48 11.303 20.689 12.159
379 HD12 ILE 48 HD12 ILE 48 11.583 20.529 13.901
380 HD13 ILE 48 HD13 ILE 48 11.380 19.080 12.873
381 H GLY 49 H GLY 49 5.751 18.223 15.245
382 HA2 GLY 49 HA2 GLY 49 5.732 18.052 18.220
383 HA3 GLY 49 HA3 GLY 49 4.447 17.599 17.107
384 H ARG 50 H ARG 50 5.632 15.839 15.400
385 HA ARG 50 HA ARG 50 6.893 13.675 16.984
386 HB2 ARG 50 HB2 ARG 50 4.494 13.450 17.427
387 HB3 ARG 50 HB3 ARG 50 4.147 13.417 15.699
388 HG2 ARG 50 HG2 ARG 50 5.271 11.280 15.437
389 HG3 ARG 50 HG3 ARG 50 5.837 11.322 17.116
390 HD2 ARG 50 HD2 ARG 50 3.529 11.242 17.936
391 HD3 ARG 50 HD3 ARG 50 2.898 11.282 16.293
392 HE ARG 50 HE ARG 50 4.300 9.031 17.640
393 HH11 ARG 50 HH11 ARG 50 2.789 10.097 14.633
394 HH12 ARG 50 HH12 ARG 50 2.845 8.474 13.973
395 HH21 ARG 50 HH21 ARG 50 4.302 7.039 16.701
396 HH22 ARG 50 HH22 ARG 50 3.733 6.869 15.039
397 H VAL 51 H VAL 51 7.932 12.150 15.878
398 HA VAL 51 HA VAL 51 7.996 12.203 12.887
399 HB VAL 51 HB VAL 51 10.418 12.036 14.721
400 HG11 VAL 51 HG11 VAL 51 11.716 12.188 12.594
401 HG12 VAL 51 HG12 VAL 51 10.756 10.711 12.691
402 HG13 VAL 51 HG13 VAL 51 10.203 12.060 11.684
403 HG21 VAL 51 HG21 VAL 51 9.626 14.299 12.843
404 HG22 VAL 51 HG22 VAL 51 9.597 14.360 14.618
405 HG23 VAL 51 HG23 VAL 51 11.127 14.172 13.780
406 H ASP 52 H ASP 52 7.565 10.233 12.125
407 HA ASP 52 HA ASP 52 7.838 7.823 13.902
408 HB2 ASP 52 HB2 ASP 52 5.563 8.767 13.694
409 HB3 ASP 52 HB3 ASP 52 5.632 8.560 11.956
410 H LEU 53 H LEU 53 9.668 6.938 13.120
411 HA LEU 53 HA LEU 53 10.398 6.998 10.320
412 HB2 LEU 53 HB2 LEU 53 11.657 5.550 12.685
413 HB3 LEU 53 HB3 LEU 53 12.365 5.720 11.097
414 HG LEU 53 HG LEU 53 13.501 7.204 12.428
415 HD11 LEU 53 HD11 LEU 53 13.119 9.388 11.470
416 HD12 LEU 53 HD12 LEU 53 12.837 8.154 10.239
417 HD13 LEU 53 HD13 LEU 53 11.458 8.969 11.029
418 HD21 LEU 53 HD21 LEU 53 12.007 7.372 14.358
419 HD22 LEU 53 HD22 LEU 53 12.642 8.935 13.849
420 HD23 LEU 53 HD23 LEU 53 10.968 8.510 13.473
421 H ARG 54 H ARG 54 8.329 4.920 11.980
422 HA ARG 54 HA ARG 54 8.854 2.400 10.658
423 HB2 ARG 54 HB2 ARG 54 6.190 3.476 11.679
424 HB3 ARG 54 HB3 ARG 54 6.612 1.781 11.396
425 HG2 ARG 54 HG2 ARG 54 8.263 1.868 13.250
426 HG3 ARG 54 HG3 ARG 54 7.874 3.580 13.523
427 HD2 ARG 54 HD2 ARG 54 5.415 2.797 13.768
428 HD3 ARG 54 HD3 ARG 54 6.071 1.157 13.865
429 HE ARG 54 HE ARG 54 6.855 1.603 16.018
430 HH11 ARG 54 HH11 ARG 54 6.082 4.780 14.595
431 HH12 ARG 54 HH12 ARG 54 5.923 5.455 16.224
432 HH21 ARG 54 HH21 ARG 54 6.623 2.738 17.999
433 HH22 ARG 54 HH22 ARG 54 6.194 4.445 17.916
434 H SER 55 H SER 55 7.301 5.309 9.650
435 HA SER 55 HA SER 55 6.789 4.194 6.909
436 HB2 SER 55 HB2 SER 55 4.679 4.233 8.176
437 HB3 SER 55 HB3 SER 55 4.915 5.935 8.557
438 HG SER 55 HG SER 55 3.485 5.379 6.721
439 H GLY 56 H GLY 56 7.910 6.886 8.870
440 HA2 GLY 56 HA2 GLY 56 9.202 8.701 8.171
441 HA3 GLY 56 HA3 GLY 56 8.804 8.389 6.474
442 H VAL 57 H VAL 57 6.577 8.754 9.257
443 HA VAL 57 HA VAL 57 5.234 11.061 7.903
444 HB VAL 57 HB VAL 57 4.324 9.387 10.262
445 HG11 VAL 57 HG11 VAL 57 2.172 10.622 10.011
446 HG12 VAL 57 HG12 VAL 57 3.485 11.661 10.562
447 HG13 VAL 57 HG13 VAL 57 2.957 11.734 8.866
448 HG21 VAL 57 HG21 VAL 57 2.555 8.630 8.760
449 HG22 VAL 57 HG22 VAL 57 3.183 9.651 7.448
450 HG23 VAL 57 HG23 VAL 57 4.124 8.252 8.054
451 H ILE 58 H ILE 58 5.330 13.067 8.667
452 HA ILE 58 HA ILE 58 6.504 13.614 11.360
453 HB ILE 58 HB ILE 58 6.988 15.089 8.758
454 HG12 ILE 58 HG12 ILE 58 8.842 13.662 10.714
455 HG13 ILE 58 HG13 ILE 58 8.392 13.102 9.100
456 HG21 ILE 58 HG21 ILE 58 6.594 16.748 10.569
457 HG22 ILE 58 HG22 ILE 58 7.807 15.914 11.578
458 HG23 ILE 58 HG23 ILE 58 8.258 16.745 10.072
459 HD11 ILE 58 HD11 ILE 58 10.146 15.479 9.758
460 HD12 ILE 58 HD12 ILE 58 10.581 13.979 8.925
461 HD13 ILE 58 HD13 ILE 58 9.501 15.134 8.134
462 H SER 59 H SER 59 5.239 14.761 12.656
463 HA SER 59 HA SER 59 2.774 16.063 11.530
464 HB2 SER 59 HB2 SER 59 3.056 14.707 14.217
465 HB3 SER 59 HB3 SER 59 1.593 15.434 13.549
466 HG SER 59 HG SER 59 1.553 13.839 11.967
467 H LEU 60 H LEU 60 2.528 18.164 11.959
468 HA LEU 60 HA LEU 60 4.335 19.466 13.922
469 HB2 LEU 60 HB2 LEU 60 2.517 20.770 11.880
470 HB3 LEU 60 HB3 LEU 60 3.782 21.530 12.846
471 HG LEU 60 HG LEU 60 4.145 19.531 10.573
472 HD11 LEU 60 HD11 LEU 60 3.692 21.877 9.929
473 HD12 LEU 60 HD12 LEU 60 5.023 22.427 10.946
474 HD13 LEU 60 HD13 LEU 60 5.340 21.420 9.510
475 HD21 LEU 60 HD21 LEU 60 5.889 19.042 12.242
476 HD22 LEU 60 HD22 LEU 60 6.598 19.860 10.855
477 HD23 LEU 60 HD23 LEU 60 6.301 20.766 12.355
478 H ILE 61 H ILE 61 3.646 21.010 15.371
479 HA ILE 61 HA ILE 61 0.836 20.872 16.400
480 HB ILE 61 HB ILE 61 1.783 21.178 18.651
481 HG12 ILE 61 HG12 ILE 61 4.472 20.201 17.655
482 HG13 ILE 61 HG13 ILE 61 4.119 21.915 17.696
483 HG21 ILE 61 HG21 ILE 61 2.361 18.786 18.997
484 HG22 ILE 61 HG22 ILE 61 0.945 19.020 17.954
485 HG23 ILE 61 HG23 ILE 61 2.509 18.579 17.240
486 HD11 ILE 61 HD11 ILE 61 5.235 21.279 19.741
487 HD12 ILE 61 HD12 ILE 61 3.577 21.805 20.079
488 HD13 ILE 61 HD13 ILE 61 3.974 20.073 20.096
489 H GLU 62 H GLU 62 0.258 22.858 17.673
490 HA GLU 62 HA GLU 62 1.498 25.346 16.684
491 HB2 GLU 62 HB2 GLU 62 -0.268 25.110 19.131
492 HB3 GLU 62 HB3 GLU 62 0.116 26.516 18.162
493 HG2 GLU 62 HG2 GLU 62 -2.052 26.039 17.528
494 HG3 GLU 62 HG3 GLU 62 -1.089 25.412 16.195
495 H GLU 63 H GLU 63 3.184 26.439 17.710
496 HA GLU 63 HA GLU 63 4.800 24.916 19.581
497 HB2 GLU 63 HB2 GLU 63 6.348 26.724 19.497
498 HB3 GLU 63 HB3 GLU 63 5.735 26.424 17.868
499 HG2 GLU 63 HG2 GLU 63 4.131 28.322 18.156
500 HG3 GLU 63 HG3 GLU 63 4.870 28.680 19.714
501 H GLN 64 H GLN 64 2.282 27.261 20.031
502 HA GLN 64 HA GLN 64 2.305 26.824 22.930
503 HB2 GLN 64 HB2 GLN 64 2.272 29.625 21.709
504 HB3 GLN 64 HB3 GLN 64 1.845 29.226 23.382
505 HG2 GLN 64 HG2 GLN 64 4.158 28.302 23.730
506 HG3 GLN 64 HG3 GLN 64 4.584 28.889 22.119
507 HE21 GLN 64 HE21 GLN 64 6.238 29.928 23.808
508 HE22 GLN 64 HE22 GLN 64 5.784 31.548 24.321
509 H ASN 65 H ASN 65 0.231 27.019 23.853
510 HA ASN 65 HA ASN 65 -2.063 27.371 21.958
511 HB2 ASN 65 HB2 ASN 65 -1.672 25.248 24.104
512 HB3 ASN 65 HB3 ASN 65 -3.170 25.526 23.226
513 HD21 ASN 65 HD21 ASN 65 -3.320 24.955 20.996
514 HD22 ASN 65 HD22 ASN 65 -2.105 23.934 20.235
515 H ARG 66 H ARG 66 -0.732 29.066 24.274
516 HA ARG 66 HA ARG 66 -2.953 29.627 26.113
517 HB2 ARG 66 HB2 ARG 66 -0.335 31.072 25.540
518 HB3 ARG 66 HB3 ARG 66 -1.523 31.561 26.762
519 HG2 ARG 66 HG2 ARG 66 -1.241 29.324 27.885
520 HG3 ARG 66 HG3 ARG 66 0.005 28.918 26.699
521 HD2 ARG 66 HD2 ARG 66 1.100 29.643 28.703
522 HD3 ARG 66 HD3 ARG 66 1.339 30.882 27.458
523 HE ARG 66 HE ARG 66 -0.985 31.507 29.018
524 HH11 ARG 66 HH11 ARG 66 -0.967 33.066 30.585
525 HH12 ARG 66 HH12 ARG 66 0.548 33.594 31.281
526 HH21 ARG 66 HH21 ARG 66 2.500 31.518 29.386
527 HH22 ARG 66 HH22 ARG 66 2.455 32.727 30.643
528 H1 GLY -3 H1 GLY -3 11.482 -10.418 3.583
529 H2 GLY -3 H2 GLY -3 12.374 -11.769 3.339
530 H3 GLY -3 H3 GLY -3 11.279 -11.296 2.218
531 HA2 GLY -3 HA2 GLY -3 13.483 -10.770 1.441
532 HA3 GLY -3 HA3 GLY -3 12.544 -9.300 1.741
533 HA PRO -2 HA PRO -2 16.665 -8.910 3.847
534 HB2 PRO -2 HB2 PRO -2 16.185 -6.082 2.922
535 HB3 PRO -2 HB3 PRO -2 17.718 -7.014 2.947
536 HG2 PRO -2 HG2 PRO -2 16.381 -6.696 0.624
537 HG3 PRO -2 HG3 PRO -2 17.037 -8.316 1.057
538 HD2 PRO -2 HD2 PRO -2 14.197 -7.289 1.384
539 HD3 PRO -2 HD3 PRO -2 14.759 -8.831 0.687
540 H GLY -1 H GLY -1 17.302 -7.775 5.757
541 HA2 GLY -1 HA2 GLY -1 15.212 -6.989 7.637
542 HA3 GLY -1 HA3 GLY -1 16.951 -7.006 7.912
543 H SER 0 H SER 0 16.068 -4.976 9.092
544 HA SER 0 HA SER 0 16.730 -2.623 7.433
545 HB2 SER 0 HB2 SER 0 14.265 -2.823 7.303
546 HB3 SER 0 HB3 SER 0 14.179 -2.736 9.076
547 HG SER 0 HG SER 0 13.871 -0.692 8.026
548 H MET 1 H MET 1 17.703 -1.006 8.490
549 HA MET 1 HA MET 1 17.823 -0.614 11.340
550 HB2 MET 1 HB2 MET 1 20.221 -1.004 11.641
551 HB3 MET 1 HB3 MET 1 19.378 -2.495 11.245
552 HG2 MET 1 HG2 MET 1 20.169 -2.311 8.885
553 HG3 MET 1 HG3 MET 1 20.997 -0.806 9.293
554 HE1 MET 1 HE1 MET 1 20.762 -4.297 11.304
555 HE2 MET 1 HE2 MET 1 20.947 -4.701 9.582
556 HE3 MET 1 HE3 MET 1 22.269 -5.040 10.720
557 H CYS 2 H CYS 2 19.505 1.187 11.797
558 HA CYS 2 HA CYS 2 20.199 3.297 11.507
559 HB2 CYS 2 HB2 CYS 2 20.820 2.393 8.701
560 HB3 CYS 2 HB3 CYS 2 21.563 3.760 9.546
561 HG CYS 2 HG CYS 2 22.687 2.416 11.454
562 H MET 3 H MET 3 17.342 2.774 10.628
563 HA MET 3 HA MET 3 16.379 4.310 8.594
564 HB2 MET 3 HB2 MET 3 15.110 4.270 11.364
565 HB3 MET 3 HB3 MET 3 14.321 4.611 9.837
566 HG2 MET 3 HG2 MET 3 13.678 2.441 10.369
567 HG3 MET 3 HG3 MET 3 14.854 2.281 9.076
568 HE1 MET 3 HE1 MET 3 15.914 2.902 12.925
569 HE2 MET 3 HE2 MET 3 14.326 2.097 13.007
570 HE3 MET 3 HE3 MET 3 15.800 1.240 13.526
571 H ALA 4 H ALA 4 17.047 5.573 11.857
572 HA ALA 4 HA ALA 4 18.047 8.069 10.857
573 HB1 ALA 4 HB1 ALA 4 15.581 8.584 10.813
574 HB2 ALA 4 HB2 ALA 4 15.503 8.185 12.541
575 HB3 ALA 4 HB3 ALA 4 16.446 9.574 11.998
576 H LYS 5 H LYS 5 18.715 9.487 12.724
577 HA LYS 5 HA LYS 5 18.867 8.168 15.372
578 HB2 LYS 5 HB2 LYS 5 21.171 8.706 15.736
579 HB3 LYS 5 HB3 LYS 5 21.050 7.724 14.277
580 HG2 LYS 5 HG2 LYS 5 21.381 9.712 12.869
581 HG3 LYS 5 HG3 LYS 5 21.354 10.772 14.289
582 HD2 LYS 5 HD2 LYS 5 23.330 9.573 15.205
583 HD3 LYS 5 HD3 LYS 5 23.427 8.618 13.707
584 HE2 LYS 5 HE2 LYS 5 23.807 10.636 12.390
585 HE3 LYS 5 HE3 LYS 5 23.506 11.663 13.800
586 HZ1 LYS 5 HZ1 LYS 5 25.766 9.757 13.575
587 HZ2 LYS 5 HZ2 LYS 5 25.886 11.379 13.422
588 HZ3 LYS 5 HZ3 LYS 5 25.462 10.721 14.865
589 H VAL 6 H VAL 6 19.096 9.543 17.130
590 HA VAL 6 HA VAL 6 18.210 12.366 16.703
591 HB VAL 6 HB VAL 6 18.040 10.562 19.123
592 HG11 VAL 6 HG11 VAL 6 18.492 12.807 20.000
593 HG12 VAL 6 HG12 VAL 6 17.246 13.488 18.919
594 HG13 VAL 6 HG13 VAL 6 16.805 12.394 20.244
595 HG21 VAL 6 HG21 VAL 6 15.871 11.938 17.510
596 HG22 VAL 6 HG22 VAL 6 16.320 10.227 17.353
597 HG23 VAL 6 HG23 VAL 6 15.644 10.825 18.869
598 H VAL 7 H VAL 7 19.375 14.075 17.548
599 HA VAL 7 HA VAL 7 21.765 13.537 19.210
600 HB VAL 7 HB VAL 7 22.651 13.683 16.960
601 HG11 VAL 7 HG11 VAL 7 21.466 16.485 16.760
602 HG12 VAL 7 HG12 VAL 7 22.559 15.705 15.599
603 HG13 VAL 7 HG13 VAL 7 20.931 15.066 15.844
604 HG21 VAL 7 HG21 VAL 7 23.915 14.663 18.906
605 HG22 VAL 7 HG22 VAL 7 24.345 15.322 17.322
606 HG23 VAL 7 HG23 VAL 7 23.323 16.264 18.417
607 H LEU 8 H LEU 8 22.167 14.986 20.759
608 HA LEU 8 HA LEU 8 20.665 17.522 20.955
609 HB2 LEU 8 HB2 LEU 8 19.759 16.956 23.129
610 HB3 LEU 8 HB3 LEU 8 19.119 15.902 21.894
611 HG LEU 8 HG LEU 8 21.510 14.856 23.371
612 HD11 LEU 8 HD11 LEU 8 18.783 15.028 24.697
613 HD12 LEU 8 HD12 LEU 8 20.202 14.148 25.309
614 HD13 LEU 8 HD13 LEU 8 20.245 15.906 25.216
615 HD21 LEU 8 HD21 LEU 8 20.235 12.765 23.321
616 HD22 LEU 8 HD22 LEU 8 18.818 13.606 22.674
617 HD23 LEU 8 HD23 LEU 8 20.300 13.470 21.700
618 H THR 9 H THR 9 21.348 18.898 22.665
619 HA THR 9 HA THR 9 24.110 18.392 23.713
620 HB THR 9 HB THR 9 22.869 21.121 23.288
621 HG1 THR 9 HG1 THR 9 23.144 20.186 21.286
622 HG21 THR 9 HG21 THR 9 25.231 21.866 23.391
623 HG22 THR 9 HG22 THR 9 24.734 21.067 24.896
624 HG23 THR 9 HG23 THR 9 25.747 20.199 23.716
625 H LYS 10 H LYS 10 24.406 18.394 25.839
626 HA LYS 10 HA LYS 10 22.087 18.574 27.661
627 HB2 LYS 10 HB2 LYS 10 25.031 17.929 28.123
628 HB3 LYS 10 HB3 LYS 10 23.772 17.830 29.352
629 HG2 LYS 10 HG2 LYS 10 22.567 16.155 27.858
630 HG3 LYS 10 HG3 LYS 10 24.027 16.094 26.863
631 HD2 LYS 10 HD2 LYS 10 23.923 15.538 29.858
632 HD3 LYS 10 HD3 LYS 10 23.858 14.280 28.635
633 HE2 LYS 10 HE2 LYS 10 26.089 14.668 27.919
634 HE3 LYS 10 HE3 LYS 10 26.163 16.248 28.701
635 HZ1 LYS 10 HZ1 LYS 10 27.355 14.513 29.955
636 HZ2 LYS 10 HZ2 LYS 10 26.173 15.221 30.839
637 HZ3 LYS 10 HZ3 LYS 10 25.951 13.715 30.223
638 H ALA 11 H ALA 11 22.170 19.739 29.682
639 HA ALA 11 HA ALA 11 23.061 22.474 29.610
640 HB1 ALA 11 HB1 ALA 11 22.304 20.677 31.969
641 HB2 ALA 11 HB2 ALA 11 22.412 22.451 32.005
642 HB3 ALA 11 HB3 ALA 11 21.179 21.654 31.003
643 H ASP 12 H ASP 12 24.719 19.507 30.414
644 HA ASP 12 HA ASP 12 26.970 20.609 31.854
645 HB2 ASP 12 HB2 ASP 12 26.798 18.126 30.097
646 HB3 ASP 12 HB3 ASP 12 28.060 18.471 31.284
647 H GLY 13 H GLY 13 26.079 21.016 28.575
648 HA2 GLY 13 HA2 GLY 13 27.175 22.095 26.837
649 HA3 GLY 13 HA3 GLY 13 28.696 22.044 27.722
650 H GLY 14 H GLY 14 27.842 18.945 27.988
651 HA2 GLY 14 HA2 GLY 14 29.313 17.916 25.661
652 HA3 GLY 14 HA3 GLY 14 28.584 16.988 26.964
653 H ARG 15 H ARG 15 28.325 15.981 24.506
654 HA ARG 15 HA ARG 15 25.466 16.460 23.734
655 HB2 ARG 15 HB2 ARG 15 27.888 16.141 21.915
656 HB3 ARG 15 HB3 ARG 15 26.222 15.829 21.376
657 HG2 ARG 15 HG2 ARG 15 25.544 18.080 22.057
658 HG3 ARG 15 HG3 ARG 15 27.203 18.460 22.551
659 HD2 ARG 15 HD2 ARG 15 27.993 18.316 20.289
660 HD3 ARG 15 HD3 ARG 15 26.458 17.629 19.723
661 HE ARG 15 HE ARG 15 25.592 19.945 20.808
662 HH11 ARG 15 HH11 ARG 15 28.105 19.433 18.420
663 HH12 ARG 15 HH12 ARG 15 27.839 20.988 17.674
664 HH21 ARG 15 HH21 ARG 15 25.307 21.871 19.856
665 HH22 ARG 15 HH22 ARG 15 26.277 22.345 18.485
666 H VAL 16 H VAL 16 24.306 14.806 22.893
667 HA VAL 16 HA VAL 16 25.198 12.007 23.428
668 HB VAL 16 HB VAL 16 22.653 13.291 24.495
669 HG11 VAL 16 HG11 VAL 16 22.139 10.991 23.803
670 HG12 VAL 16 HG12 VAL 16 23.574 10.391 24.672
671 HG13 VAL 16 HG13 VAL 16 22.203 11.087 25.558
672 HG21 VAL 16 HG21 VAL 16 25.040 12.082 25.952
673 HG22 VAL 16 HG22 VAL 16 24.600 13.804 25.907
674 HG23 VAL 16 HG23 VAL 16 23.539 12.639 26.716
675 H GLU 17 H GLU 17 24.227 10.446 22.165
676 HA GLU 17 HA GLU 17 22.339 11.295 20.039
677 HB2 GLU 17 HB2 GLU 17 24.891 9.704 19.594
678 HB3 GLU 17 HB3 GLU 17 23.617 9.949 18.391
679 HG2 GLU 17 HG2 GLU 17 24.005 12.361 18.418
680 HG3 GLU 17 HG3 GLU 17 25.264 12.178 19.648
681 H ILE 18 H ILE 18 20.996 9.668 19.221
682 HA ILE 18 HA ILE 18 21.037 6.986 20.536
683 HB ILE 18 HB ILE 18 18.471 8.556 20.094
684 HG12 ILE 18 HG12 ILE 18 18.485 8.213 22.779
685 HG13 ILE 18 HG13 ILE 18 20.219 8.359 22.548
686 HG21 ILE 18 HG21 ILE 18 17.437 6.735 21.337
687 HG22 ILE 18 HG22 ILE 18 18.250 6.109 19.911
688 HG23 ILE 18 HG23 ILE 18 19.016 5.923 21.510
689 HD11 ILE 18 HD11 ILE 18 18.060 10.357 21.719
690 HD12 ILE 18 HD12 ILE 18 19.232 10.536 23.045
691 HD13 ILE 18 HD13 ILE 18 19.797 10.570 21.373
692 H GLY 19 H GLY 19 21.357 5.551 18.950
693 HA2 GLY 19 HA2 GLY 19 20.681 6.153 16.154
694 HA3 GLY 19 HA3 GLY 19 21.601 4.786 16.754
695 H ASP 20 H ASP 20 19.704 4.579 14.764
696 HA ASP 20 HA ASP 20 17.981 3.354 14.029
697 HB2 ASP 20 HB2 ASP 20 18.425 1.474 16.368
698 HB3 ASP 20 HB3 ASP 20 17.819 1.113 14.760
699 H VAL 21 H VAL 21 16.868 5.526 15.235
700 HA VAL 21 HA VAL 21 14.909 4.695 17.221
701 HB VAL 21 HB VAL 21 14.002 6.936 17.043
702 HG11 VAL 21 HG11 VAL 21 15.755 6.360 18.651
703 HG12 VAL 21 HG12 VAL 21 17.006 6.791 17.460
704 HG13 VAL 21 HG13 VAL 21 15.919 8.035 18.101
705 HG21 VAL 21 HG21 VAL 21 14.582 7.499 14.695
706 HG22 VAL 21 HG22 VAL 21 15.121 8.711 15.860
707 HG23 VAL 21 HG23 VAL 21 16.297 7.582 15.166
708 H LEU 22 H LEU 22 12.828 4.251 17.039
709 HA LEU 22 HA LEU 22 11.597 3.897 14.350
710 HB2 LEU 22 HB2 LEU 22 10.712 3.044 17.130
711 HB3 LEU 22 HB3 LEU 22 9.810 2.738 15.650
712 HG LEU 22 HG LEU 22 12.575 1.613 16.245
713 HD11 LEU 22 HD11 LEU 22 11.368 -0.527 16.508
714 HD12 LEU 22 HD12 LEU 22 10.775 0.666 17.671
715 HD13 LEU 22 HD13 LEU 22 9.819 0.300 16.220
716 HD21 LEU 22 HD21 LEU 22 12.174 0.165 14.295
717 HD22 LEU 22 HD22 LEU 22 10.643 1.020 13.959
718 HD23 LEU 22 HD23 LEU 22 12.199 1.858 13.815
719 H GLU 23 H GLU 23 11.409 5.882 17.267
720 HA GLU 23 HA GLU 23 9.570 7.731 15.951
721 HB2 GLU 23 HB2 GLU 23 8.008 6.122 16.801
722 HB3 GLU 23 HB3 GLU 23 8.726 6.162 18.412
723 HG2 GLU 23 HG2 GLU 23 7.961 8.399 18.819
724 HG3 GLU 23 HG3 GLU 23 7.520 8.634 17.129
725 H VAL 24 H VAL 24 9.566 9.757 16.795
726 HA VAL 24 HA VAL 24 10.875 10.362 19.384
727 HB VAL 24 HB VAL 24 11.594 11.898 16.877
728 HG11 VAL 24 HG11 VAL 24 13.364 12.870 18.322
729 HG12 VAL 24 HG12 VAL 24 11.744 13.228 18.915
730 HG13 VAL 24 HG13 VAL 24 12.710 11.975 19.706
731 HG21 VAL 24 HG21 VAL 24 12.647 9.703 16.643
732 HG22 VAL 24 HG22 VAL 24 13.835 10.949 16.988
733 HG23 VAL 24 HG23 VAL 24 13.329 9.843 18.274
734 H ARG 25 H ARG 25 9.725 11.955 20.461
735 HA ARG 25 HA ARG 25 7.969 13.798 18.939
736 HB2 ARG 25 HB2 ARG 25 6.027 13.272 20.374
737 HB3 ARG 25 HB3 ARG 25 6.469 11.960 19.287
738 HG2 ARG 25 HG2 ARG 25 7.440 10.663 21.054
739 HG3 ARG 25 HG3 ARG 25 7.405 12.027 22.171
740 HD2 ARG 25 HD2 ARG 25 5.632 10.737 22.894
741 HD3 ARG 25 HD3 ARG 25 4.873 12.026 21.945
742 HE ARG 25 HE ARG 25 5.372 9.669 20.312
743 HH11 ARG 25 HH11 ARG 25 3.112 10.807 22.804
744 HH12 ARG 25 HH12 ARG 25 1.915 9.628 22.314
745 HH21 ARG 25 HH21 ARG 25 3.888 8.249 19.854
746 HH22 ARG 25 HH22 ARG 25 2.317 8.204 20.661
747 H ALA 26 H ALA 26 7.398 15.649 19.911
748 HA ALA 26 HA ALA 26 8.824 16.451 22.404
749 HB1 ALA 26 HB1 ALA 26 9.132 17.908 20.442
750 HB2 ALA 26 HB2 ALA 26 7.371 18.092 20.282
751 HB3 ALA 26 HB3 ALA 26 8.200 18.742 21.717
752 H GLU 27 H GLU 27 7.677 16.328 24.250
753 HA GLU 27 HA GLU 27 4.715 16.484 24.305
754 HB2 GLU 27 HB2 GLU 27 5.309 14.203 23.482
755 HB3 GLU 27 HB3 GLU 27 6.249 13.927 24.945
756 HG2 GLU 27 HG2 GLU 27 4.161 14.208 26.295
757 HG3 GLU 27 HG3 GLU 27 3.267 14.537 24.798
758 H GLY 28 H GLY 28 4.073 17.378 26.190
759 HA2 GLY 28 HA2 GLY 28 3.970 17.997 28.392
760 HA3 GLY 28 HA3 GLY 28 4.912 16.547 28.752
761 H GLY 29 H GLY 29 6.229 19.196 26.806
762 HA2 GLY 29 HA2 GLY 29 7.893 20.775 27.241
763 HA3 GLY 29 HA3 GLY 29 7.745 20.464 28.972
764 H ALA 30 H ALA 30 8.276 17.724 26.906
765 HA ALA 30 HA ALA 30 11.219 17.696 27.277
766 HB1 ALA 30 HB1 ALA 30 9.312 15.408 27.953
767 HB2 ALA 30 HB2 ALA 30 11.080 15.380 28.102
768 HB3 ALA 30 HB3 ALA 30 10.100 16.435 29.159
769 H VAL 31 H VAL 31 12.196 15.899 25.932
770 HA VAL 31 HA VAL 31 10.479 15.110 23.591
771 HB VAL 31 HB VAL 31 13.492 15.321 23.710
772 HG11 VAL 31 HG11 VAL 31 13.024 13.265 22.475
773 HG12 VAL 31 HG12 VAL 31 11.725 14.060 21.549
774 HG13 VAL 31 HG13 VAL 31 13.408 14.532 21.314
775 HG21 VAL 31 HG21 VAL 31 13.141 16.880 21.845
776 HG22 VAL 31 HG22 VAL 31 11.391 16.555 21.869
777 HG23 VAL 31 HG23 VAL 31 12.159 17.383 23.229
778 H ARG 32 H ARG 32 10.099 13.028 23.199
779 HA ARG 32 HA ARG 32 11.314 10.904 24.929
780 HB2 ARG 32 HB2 ARG 32 8.369 11.330 24.253
781 HB3 ARG 32 HB3 ARG 32 9.023 9.815 24.884
782 HG2 ARG 32 HG2 ARG 32 9.747 10.860 26.938
783 HG3 ARG 32 HG3 ARG 32 9.354 12.482 26.345
784 HD2 ARG 32 HD2 ARG 32 6.992 11.920 26.245
785 HD3 ARG 32 HD3 ARG 32 7.319 10.256 26.768
786 HE ARG 32 HE ARG 32 8.448 11.836 28.745
787 HH11 ARG 32 HH11 ARG 32 5.165 11.655 27.471
788 HH12 ARG 32 HH12 ARG 32 4.471 11.967 29.046
789 HH21 ARG 32 HH21 ARG 32 7.467 12.290 30.678
790 HH22 ARG 32 HH22 ARG 32 5.730 12.387 30.774
791 H VAL 33 H VAL 33 11.764 9.006 23.941
792 HA VAL 33 HA VAL 33 11.238 8.669 21.056
793 HB VAL 33 HB VAL 33 12.995 9.927 20.557
794 HG11 VAL 33 HG11 VAL 33 15.028 10.372 21.877
795 HG12 VAL 33 HG12 VAL 33 13.547 10.861 22.681
796 HG13 VAL 33 HG13 VAL 33 14.364 9.364 23.179
797 HG21 VAL 33 HG21 VAL 33 14.646 7.497 21.312
798 HG22 VAL 33 HG22 VAL 33 13.766 7.740 19.770
799 HG23 VAL 33 HG23 VAL 33 15.113 8.793 20.203
800 H THR 34 H THR 34 11.643 6.722 20.166
801 HA THR 34 HA THR 34 12.146 4.432 22.033
802 HB THR 34 HB THR 34 10.069 4.564 19.824
803 HG1 THR 34 HG1 THR 34 9.678 4.554 22.639
804 HG21 THR 34 HG21 THR 34 10.774 2.255 20.179
805 HG22 THR 34 HG22 THR 34 10.634 2.432 21.942
806 HG23 THR 34 HG23 THR 34 9.186 2.482 20.909
807 H THR 35 H THR 35 13.402 2.756 21.266
808 HA THR 35 HA THR 35 14.671 3.161 18.598
809 HB THR 35 HB THR 35 16.549 1.968 19.390
810 HG1 THR 35 HG1 THR 35 16.588 1.173 21.538
811 HG21 THR 35 HG21 THR 35 15.712 3.823 21.653
812 HG22 THR 35 HG22 THR 35 17.361 3.390 21.151
813 HG23 THR 35 HG23 THR 35 16.332 4.363 20.076
814 H LEU 36 H LEU 36 15.454 1.331 17.432
815 HA LEU 36 HA LEU 36 13.717 -0.621 16.545
816 HB2 LEU 36 HB2 LEU 36 15.798 0.161 15.492
817 HB3 LEU 36 HB3 LEU 36 16.752 -0.572 16.773
818 HG LEU 36 HG LEU 36 15.993 -2.844 15.998
819 HD11 LEU 36 HD11 LEU 36 14.999 -2.972 13.713
820 HD12 LEU 36 HD12 LEU 36 13.894 -2.182 14.855
821 HD13 LEU 36 HD13 LEU 36 14.839 -1.201 13.700
822 HD21 LEU 36 HD21 LEU 36 17.326 -1.097 13.882
823 HD22 LEU 36 HD22 LEU 36 18.139 -1.865 15.270
824 HD23 LEU 36 HD23 LEU 36 17.416 -2.864 13.998
825 H PHE 37 H PHE 37 15.826 -0.776 19.361
826 HA PHE 37 HA PHE 37 15.404 -3.645 19.827
827 HB2 PHE 37 HB2 PHE 37 16.924 -1.606 21.476
828 HB3 PHE 37 HB3 PHE 37 17.066 -3.356 21.573
829 HD1 PHE 37 HD1 PHE 37 18.349 -0.364 20.041
830 HD2 PHE 37 HD2 PHE 37 17.836 -4.594 19.360
831 HE1 PHE 37 HE1 PHE 37 20.022 -0.276 18.209
832 HE2 PHE 37 HE2 PHE 37 19.527 -4.506 17.555
833 HZ PHE 37 HZ PHE 37 20.626 -2.345 16.972
834 H ASP 38 H ASP 38 13.352 -1.241 20.238
835 HA ASP 38 HA ASP 38 11.607 -0.713 21.472
836 HB2 ASP 38 HB2 ASP 38 11.172 -3.181 21.121
837 HB3 ASP 38 HB3 ASP 38 11.727 -3.449 22.771
838 H GLU 39 H GLU 39 14.263 -0.074 22.541
839 HA GLU 39 HA GLU 39 13.702 0.262 25.431
840 HB2 GLU 39 HB2 GLU 39 16.007 -0.334 24.743
841 HB3 GLU 39 HB3 GLU 39 16.076 1.115 23.744
842 HG2 GLU 39 HG2 GLU 39 17.312 1.431 25.791
843 HG3 GLU 39 HG3 GLU 39 15.958 2.550 25.737
844 H GLU 40 H GLU 40 13.557 2.348 26.362
845 HA GLU 40 HA GLU 40 12.586 4.530 24.545
846 HB2 GLU 40 HB2 GLU 40 11.427 3.649 27.201
847 HB3 GLU 40 HB3 GLU 40 11.006 5.153 26.372
848 HG2 GLU 40 HG2 GLU 40 10.209 3.905 24.415
849 HG3 GLU 40 HG3 GLU 40 10.644 2.377 25.174
850 H HIS 41 H HIS 41 13.106 6.561 25.021
851 HA HIS 41 HA HIS 41 14.802 7.197 27.400
852 HB2 HIS 41 HB2 HIS 41 15.429 8.193 24.614
853 HB3 HIS 41 HB3 HIS 41 16.368 8.436 26.083
854 HD2 HIS 41 HD2 HIS 41 15.812 6.059 23.204
855 HE1 HIS 41 HE1 HIS 41 18.729 4.150 25.677
856 HE2 HIS 41 HE2 HIS 41 17.546 4.067 23.434
857 H ALA 42 H ALA 42 14.758 9.388 28.059
858 HA ALA 42 HA ALA 42 12.797 11.200 26.813
859 HB1 ALA 42 HB1 ALA 42 11.488 9.874 28.433
860 HB2 ALA 42 HB2 ALA 42 12.622 10.319 29.734
861 HB3 ALA 42 HB3 ALA 42 11.638 11.569 28.952
862 H PHE 43 H PHE 43 13.202 13.315 27.094
863 HA PHE 43 HA PHE 43 15.593 14.186 28.655
864 HB2 PHE 43 HB2 PHE 43 15.035 14.763 25.731
865 HB3 PHE 43 HB3 PHE 43 16.391 15.356 26.687
866 HD1 PHE 43 HD1 PHE 43 15.118 12.636 24.661
867 HD2 PHE 43 HD2 PHE 43 18.094 13.673 27.601
868 HE1 PHE 43 HE1 PHE 43 16.396 10.576 24.087
869 HE2 PHE 43 HE2 PHE 43 19.377 11.611 27.011
870 HZ PHE 43 HZ PHE 43 18.514 10.065 25.284
871 HA PRO 44 HA PRO 44 12.165 17.125 29.513
872 HB2 PRO 44 HB2 PRO 44 13.942 17.571 31.886
873 HB3 PRO 44 HB3 PRO 44 12.150 17.485 31.821
874 HG2 PRO 44 HG2 PRO 44 13.564 15.356 32.707
875 HG3 PRO 44 HG3 PRO 44 12.216 15.099 31.556
876 HD2 PRO 44 HD2 PRO 44 15.192 15.263 30.954
877 HD3 PRO 44 HD3 PRO 44 14.004 14.045 30.403
878 H GLY 45 H GLY 45 12.014 19.302 29.176
879 HA2 GLY 45 HA2 GLY 45 12.659 21.507 28.889
880 HA3 GLY 45 HA3 GLY 45 14.323 21.098 29.299
881 H LEU 46 H LEU 46 13.257 19.003 26.849
882 HA LEU 46 HA LEU 46 14.434 20.720 24.710
883 HB2 LEU 46 HB2 LEU 46 14.164 17.696 24.789
884 HB3 LEU 46 HB3 LEU 46 14.895 18.653 23.505
885 HG LEU 46 HG LEU 46 15.967 18.234 26.315
886 HD11 LEU 46 HD11 LEU 46 16.309 16.440 24.569
887 HD12 LEU 46 HD12 LEU 46 17.152 17.639 23.565
888 HD13 LEU 46 HD13 LEU 46 17.813 17.177 25.151
889 HD21 LEU 46 HD21 LEU 46 16.485 20.553 25.717
890 HD22 LEU 46 HD22 LEU 46 17.943 19.574 25.556
891 HD23 LEU 46 HD23 LEU 46 17.043 20.045 24.098
892 H ALA 47 H ALA 47 13.665 20.513 22.592
893 HA ALA 47 HA ALA 47 11.098 19.239 22.012
894 HB1 ALA 47 HB1 ALA 47 10.449 21.558 22.566
895 HB2 ALA 47 HB2 ALA 47 11.618 22.170 21.377
896 HB3 ALA 47 HB3 ALA 47 10.220 21.222 20.847
897 H ILE 48 H ILE 48 10.837 19.031 19.586
898 HA ILE 48 HA ILE 48 13.407 18.331 18.331
899 HB ILE 48 HB ILE 48 10.591 18.223 17.210
900 HG12 ILE 48 HG12 ILE 48 12.278 15.851 18.117
901 HG13 ILE 48 HG13 ILE 48 11.171 16.671 19.226
902 HG21 ILE 48 HG21 ILE 48 12.251 18.348 15.392
903 HG22 ILE 48 HG22 ILE 48 13.240 17.097 16.164
904 HG23 ILE 48 HG23 ILE 48 11.658 16.699 15.493
905 HD11 ILE 48 HD11 ILE 48 10.049 14.772 18.320
906 HD12 ILE 48 HD12 ILE 48 9.271 16.224 17.684
907 HD13 ILE 48 HD13 ILE 48 10.369 15.272 16.658
908 H GLY 49 H GLY 49 14.632 19.664 17.171
909 HA2 GLY 49 HA2 GLY 49 13.629 22.388 16.534
910 HA3 GLY 49 HA3 GLY 49 15.306 21.855 16.657
911 H ARG 50 H ARG 50 15.189 19.591 14.915
912 HA ARG 50 HA ARG 50 14.384 20.525 12.235
913 HB2 ARG 50 HB2 ARG 50 16.389 21.820 12.611
914 HB3 ARG 50 HB3 ARG 50 17.272 20.409 13.174
915 HG2 ARG 50 HG2 ARG 50 17.246 19.434 10.896
916 HG3 ARG 50 HG3 ARG 50 16.300 20.830 10.325
917 HD2 ARG 50 HD2 ARG 50 18.130 22.355 11.000
918 HD3 ARG 50 HD3 ARG 50 19.067 20.986 11.611
919 HE ARG 50 HE ARG 50 18.481 21.650 8.766
920 HH11 ARG 50 HH11 ARG 50 20.230 19.481 10.938
921 HH12 ARG 50 HH12 ARG 50 21.101 18.761 9.606
922 HH21 ARG 50 HH21 ARG 50 19.584 20.624 7.165
923 HH22 ARG 50 HH22 ARG 50 20.623 19.264 7.561
924 H VAL 51 H VAL 51 14.264 18.897 10.715
925 HA VAL 51 HA VAL 51 15.599 16.304 11.385
926 HB VAL 51 HB VAL 51 12.931 16.373 9.984
927 HG11 VAL 51 HG11 VAL 51 14.652 14.144 11.113
928 HG12 VAL 51 HG12 VAL 51 13.006 13.935 10.471
929 HG13 VAL 51 HG13 VAL 51 14.311 14.458 9.406
930 HG21 VAL 51 HG21 VAL 51 11.945 15.411 12.019
931 HG22 VAL 51 HG22 VAL 51 13.476 15.684 12.903
932 HG23 VAL 51 HG23 VAL 51 12.510 17.055 12.310
933 H ASP 52 H ASP 52 16.944 15.666 9.901
934 HA ASP 52 HA ASP 52 16.944 16.919 7.191
935 HB2 ASP 52 HB2 ASP 52 18.729 17.594 8.771
936 HB3 ASP 52 HB3 ASP 52 19.253 15.925 8.909
937 H LEU 53 H LEU 53 15.848 15.470 6.003
938 HA LEU 53 HA LEU 53 16.004 12.605 6.441
939 HB2 LEU 53 HB2 LEU 53 14.639 14.227 4.257
940 HB3 LEU 53 HB3 LEU 53 14.443 12.512 4.523
941 HG LEU 53 HG LEU 53 12.520 13.553 5.330
942 HD11 LEU 53 HD11 LEU 53 14.201 12.790 7.746
943 HD12 LEU 53 HD12 LEU 53 12.440 12.855 7.671
944 HD13 LEU 53 HD13 LEU 53 13.318 11.680 6.677
945 HD21 LEU 53 HD21 LEU 53 13.354 15.843 5.722
946 HD22 LEU 53 HD22 LEU 53 12.316 15.221 7.016
947 HD23 LEU 53 HD23 LEU 53 14.065 15.312 7.253
948 H ARG 54 H ARG 54 17.961 14.729 4.644
949 HA ARG 54 HA ARG 54 18.820 12.998 2.481
950 HB2 ARG 54 HB2 ARG 54 20.509 15.074 3.920
951 HB3 ARG 54 HB3 ARG 54 20.677 14.489 2.272
952 HG2 ARG 54 HG2 ARG 54 18.557 15.648 1.642
953 HG3 ARG 54 HG3 ARG 54 18.370 16.213 3.314
954 HD2 ARG 54 HD2 ARG 54 20.752 17.198 3.054
955 HD3 ARG 54 HD3 ARG 54 20.549 16.948 1.325
956 HE ARG 54 HE ARG 54 19.063 18.752 1.257
957 HH11 ARG 54 HH11 ARG 54 19.415 17.891 4.699
958 HH12 ARG 54 HH12 ARG 54 18.932 19.522 5.151
959 HH21 ARG 54 HH21 ARG 54 18.352 20.757 2.120
960 HH22 ARG 54 HH22 ARG 54 18.334 20.930 3.872
961 H SER 55 H SER 55 19.716 13.313 5.849
962 HA SER 55 HA SER 55 21.669 11.030 5.645
963 HB2 SER 55 HB2 SER 55 21.851 13.476 7.446
964 HB3 SER 55 HB3 SER 55 22.980 12.119 7.397
965 HG SER 55 HG SER 55 22.457 14.076 5.391
966 H GLY 56 H GLY 56 18.713 11.901 7.045
967 HA2 GLY 56 HA2 GLY 56 17.365 10.771 8.519
968 HA3 GLY 56 HA3 GLY 56 18.605 9.529 8.699
969 H VAL 57 H VAL 57 18.789 13.057 9.426
970 HA VAL 57 HA VAL 57 19.541 12.326 12.249
971 HB VAL 57 HB VAL 57 20.489 14.715 10.648
972 HG11 VAL 57 HG11 VAL 57 22.007 15.072 12.590
973 HG12 VAL 57 HG12 VAL 57 20.312 15.246 13.054
974 HG13 VAL 57 HG13 VAL 57 21.192 13.757 13.455
975 HG21 VAL 57 HG21 VAL 57 21.942 12.196 11.579
976 HG22 VAL 57 HG22 VAL 57 21.567 12.620 9.901
977 HG23 VAL 57 HG23 VAL 57 22.704 13.610 10.817
978 H ILE 58 H ILE 58 18.303 12.916 13.808
979 HA ILE 58 HA ILE 58 16.288 15.114 13.522
980 HB ILE 58 HB ILE 58 16.403 12.633 15.267
981 HG12 ILE 58 HG12 ILE 58 14.249 13.499 13.294
982 HG13 ILE 58 HG13 ILE 58 15.610 12.482 12.823
983 HG21 ILE 58 HG21 ILE 58 14.450 14.972 15.408
984 HG22 ILE 58 HG22 ILE 58 14.191 13.388 16.185
985 HG23 ILE 58 HG23 ILE 58 15.537 14.391 16.696
986 HD11 ILE 58 HD11 ILE 58 13.828 11.017 13.221
987 HD12 ILE 58 HD12 ILE 58 14.931 10.832 14.594
988 HD13 ILE 58 HD13 ILE 58 13.418 11.761 14.773
989 H SER 59 H SER 59 17.005 16.976 14.353
990 HA SER 59 HA SER 59 19.038 16.969 16.537
991 HB2 SER 59 HB2 SER 59 18.210 19.237 14.713
992 HB3 SER 59 HB3 SER 59 19.507 19.265 15.918
993 HG SER 59 HG SER 59 19.342 17.644 13.581
994 H LEU 60 H LEU 60 18.451 17.471 18.547
995 HA LEU 60 HA LEU 60 15.810 18.752 19.054
996 HB2 LEU 60 HB2 LEU 60 17.708 17.587 21.094
997 HB3 LEU 60 HB3 LEU 60 16.016 18.010 21.296
998 HG LEU 60 HG LEU 60 17.159 15.673 19.713
999 HD11 LEU 60 HD11 LEU 60 15.315 15.861 22.127
1000 HD12 LEU 60 HD12 LEU 60 15.811 14.350 21.336
1001 HD13 LEU 60 HD13 LEU 60 17.012 15.355 22.148
1002 HD21 LEU 60 HD21 LEU 60 14.254 16.583 19.896
1003 HD22 LEU 60 HD22 LEU 60 15.242 16.490 18.426
1004 HD23 LEU 60 HD23 LEU 60 14.788 15.011 19.273
1005 H ILE 61 H ILE 61 15.564 20.496 20.433
1006 HA ILE 61 HA ILE 61 17.906 22.205 21.092
1007 HB ILE 61 HB ILE 61 16.655 24.212 20.353
1008 HG12 ILE 61 HG12 ILE 61 14.950 23.771 18.437
1009 HG13 ILE 61 HG13 ILE 61 14.667 22.220 19.212
1010 HG21 ILE 61 HG21 ILE 61 17.233 22.256 18.100
1011 HG22 ILE 61 HG22 ILE 61 17.236 24.030 18.016
1012 HG23 ILE 61 HG23 ILE 61 18.441 23.199 19.003
1013 HD11 ILE 61 HD11 ILE 61 13.014 23.962 19.830
1014 HD12 ILE 61 HD12 ILE 61 13.888 23.386 21.248
1015 HD13 ILE 61 HD13 ILE 61 14.322 24.957 20.520
1016 H GLU 62 H GLU 62 17.387 23.864 22.778
1017 HA GLU 62 HA GLU 62 15.698 22.666 24.847
1018 HB2 GLU 62 HB2 GLU 62 17.204 25.298 24.851
1019 HB3 GLU 62 HB3 GLU 62 16.299 24.619 26.204
1020 HG2 GLU 62 HG2 GLU 62 17.801 22.526 25.966
1021 HG3 GLU 62 HG3 GLU 62 18.805 23.496 24.889
1022 H GLU 63 H GLU 63 13.712 23.238 25.521
1023 HA GLU 63 HA GLU 63 12.036 24.850 23.765
1024 HB2 GLU 63 HB2 GLU 63 10.209 24.089 25.084
1025 HB3 GLU 63 HB3 GLU 63 11.319 22.768 24.845
1026 HG2 GLU 63 HG2 GLU 63 10.969 22.378 27.023
1027 HG3 GLU 63 HG3 GLU 63 12.289 23.519 27.221
1028 H GLN 64 H GLN 64 13.922 25.591 26.527
1029 HA GLN 64 HA GLN 64 12.607 28.226 27.013
1030 HB2 GLN 64 HB2 GLN 64 14.832 26.721 28.416
1031 HB3 GLN 64 HB3 GLN 64 14.383 28.382 28.827
1032 HG2 GLN 64 HG2 GLN 64 12.358 27.764 29.781
1033 HG3 GLN 64 HG3 GLN 64 12.186 26.340 28.781
1034 HE21 GLN 64 HE21 GLN 64 11.914 24.715 30.275
1035 HE22 GLN 64 HE22 GLN 64 13.084 24.372 31.556
1036 H ASN 65 H ASN 65 13.679 30.148 26.746
1037 HA ASN 65 HA ASN 65 16.311 30.185 25.326
1038 HB2 ASN 65 HB2 ASN 65 13.883 31.945 24.769
1039 HB3 ASN 65 HB3 ASN 65 15.497 32.201 24.103
1040 HD21 ASN 65 HD21 ASN 65 15.364 28.893 23.933
1041 HD22 ASN 65 HD22 ASN 65 14.642 28.791 22.334
1042 H ARG 66 H ARG 66 16.080 30.142 28.037
1043 HA ARG 66 HA ARG 66 16.057 32.646 29.394
1044 HB2 ARG 66 HB2 ARG 66 17.045 31.439 31.262
1045 HB3 ARG 66 HB3 ARG 66 15.761 30.486 30.514
1046 HG2 ARG 66 HG2 ARG 66 17.520 29.169 29.282
1047 HG3 ARG 66 HG3 ARG 66 18.765 30.088 30.150
1048 HD2 ARG 66 HD2 ARG 66 17.917 29.236 32.292
1049 HD3 ARG 66 HD3 ARG 66 16.650 28.318 31.459
1050 HE ARG 66 HE ARG 66 19.549 27.720 31.569
1051 HH11 ARG 66 HH11 ARG 66 16.471 26.620 30.229
1052 HH12 ARG 66 HH12 ARG 66 17.326 25.462 29.189
1053 HH21 ARG 66 HH21 ARG 66 20.397 26.009 30.360
1054 HH22 ARG 66 HH22 ARG 66 19.290 25.119 29.309
Start of MODEL 10
1 H1 GLY -3 H1 GLY -3 25.973 12.390 -8.253
2 H2 GLY -3 H2 GLY -3 26.226 10.762 -8.117
3 H3 GLY -3 H3 GLY -3 26.872 11.774 -7.017
4 HA2 GLY -3 HA2 GLY -3 24.671 12.393 -6.233
5 HA3 GLY -3 HA3 GLY -3 23.995 11.257 -7.413
6 HA PRO -2 HA PRO -2 25.155 9.168 -3.267
7 HB2 PRO -2 HB2 PRO -2 22.695 8.895 -2.084
8 HB3 PRO -2 HB3 PRO -2 23.727 10.345 -1.888
9 HG2 PRO -2 HG2 PRO -2 21.425 9.934 -3.838
10 HG3 PRO -2 HG3 PRO -2 21.695 11.325 -2.747
11 HD2 PRO -2 HD2 PRO -2 22.443 11.432 -5.351
12 HD3 PRO -2 HD3 PRO -2 23.471 12.157 -4.089
13 H GLY -1 H GLY -1 24.953 6.931 -2.904
14 HA2 GLY -1 HA2 GLY -1 24.022 5.293 -5.117
15 HA3 GLY -1 HA3 GLY -1 24.699 4.733 -3.590
16 H SER 0 H SER 0 22.619 6.202 -1.999
17 HA SER 0 HA SER 0 19.989 5.264 -2.797
18 HB2 SER 0 HB2 SER 0 20.942 3.170 -1.854
19 HB3 SER 0 HB3 SER 0 21.307 4.024 -0.341
20 HG SER 0 HG SER 0 19.301 2.827 -0.330
21 H MET 1 H MET 1 18.341 6.297 -1.632
22 HA MET 1 HA MET 1 18.815 7.775 0.825
23 HB2 MET 1 HB2 MET 1 18.239 9.977 -0.001
24 HB3 MET 1 HB3 MET 1 19.717 9.420 -0.762
25 HG2 MET 1 HG2 MET 1 18.548 8.879 -2.812
26 HG3 MET 1 HG3 MET 1 16.986 9.262 -2.090
27 HE1 MET 1 HE1 MET 1 16.899 13.105 -1.879
28 HE2 MET 1 HE2 MET 1 16.022 11.576 -1.705
29 HE3 MET 1 HE3 MET 1 17.309 11.992 -0.553
30 H CYS 2 H CYS 2 16.828 8.812 1.615
31 HA CYS 2 HA CYS 2 14.285 8.157 0.323
32 HB2 CYS 2 HB2 CYS 2 13.322 7.075 2.288
33 HB3 CYS 2 HB3 CYS 2 14.685 6.145 1.667
34 HG CYS 2 HG CYS 2 16.464 6.938 3.363
35 H MET 3 H MET 3 12.433 9.214 1.512
36 HA MET 3 HA MET 3 13.208 11.814 2.758
37 HB2 MET 3 HB2 MET 3 11.670 11.343 0.176
38 HB3 MET 3 HB3 MET 3 11.469 12.825 1.105
39 HG2 MET 3 HG2 MET 3 13.822 13.349 0.967
40 HG3 MET 3 HG3 MET 3 14.171 11.845 0.110
41 HE1 MET 3 HE1 MET 3 11.995 11.444 -2.074
42 HE2 MET 3 HE2 MET 3 12.793 12.299 -3.401
43 HE3 MET 3 HE3 MET 3 13.760 11.330 -2.283
44 H ALA 4 H ALA 4 11.437 13.031 3.587
45 HA ALA 4 HA ALA 4 9.509 11.297 5.017
46 HB1 ALA 4 HB1 ALA 4 9.264 13.336 6.448
47 HB2 ALA 4 HB2 ALA 4 10.940 12.801 6.311
48 HB3 ALA 4 HB3 ALA 4 10.375 14.208 5.379
49 H LYS 5 H LYS 5 7.412 12.435 5.530
50 HA LYS 5 HA LYS 5 6.349 14.277 3.485
51 HB2 LYS 5 HB2 LYS 5 4.193 13.108 3.364
52 HB3 LYS 5 HB3 LYS 5 5.539 12.213 2.664
53 HG2 LYS 5 HG2 LYS 5 5.654 10.807 4.747
54 HG3 LYS 5 HG3 LYS 5 4.206 11.639 5.347
55 HD2 LYS 5 HD2 LYS 5 2.933 10.851 3.381
56 HD3 LYS 5 HD3 LYS 5 4.385 10.067 2.730
57 HE2 LYS 5 HE2 LYS 5 4.529 8.652 4.770
58 HE3 LYS 5 HE3 LYS 5 3.050 9.390 5.383
59 HZ1 LYS 5 HZ1 LYS 5 2.590 7.279 4.257
60 HZ2 LYS 5 HZ2 LYS 5 1.879 8.508 3.446
61 HZ3 LYS 5 HZ3 LYS 5 3.241 7.833 2.863
62 H VAL 6 H VAL 6 5.248 15.923 4.305
63 HA VAL 6 HA VAL 6 5.121 16.085 7.292
64 HB VAL 6 HB VAL 6 5.464 18.198 5.182
65 HG11 VAL 6 HG11 VAL 6 5.560 19.866 7.027
66 HG12 VAL 6 HG12 VAL 6 3.935 19.232 6.774
67 HG13 VAL 6 HG13 VAL 6 4.903 18.644 8.146
68 HG21 VAL 6 HG21 VAL 6 7.449 16.862 6.101
69 HG22 VAL 6 HG22 VAL 6 7.538 18.627 6.280
70 HG23 VAL 6 HG23 VAL 6 7.103 17.611 7.665
71 H VAL 7 H VAL 7 3.300 16.603 8.380
72 HA VAL 7 HA VAL 7 0.896 17.484 6.907
73 HB VAL 7 HB VAL 7 0.631 15.080 7.122
74 HG11 VAL 7 HG11 VAL 7 1.999 14.612 9.115
75 HG12 VAL 7 HG12 VAL 7 0.798 15.426 10.141
76 HG13 VAL 7 HG13 VAL 7 0.373 13.941 9.266
77 HG21 VAL 7 HG21 VAL 7 -1.548 14.974 8.112
78 HG22 VAL 7 HG22 VAL 7 -1.259 16.431 9.088
79 HG23 VAL 7 HG23 VAL 7 -1.379 16.541 7.320
80 H LEU 8 H LEU 8 -0.459 18.835 7.981
81 HA LEU 8 HA LEU 8 -0.174 19.421 10.827
82 HB2 LEU 8 HB2 LEU 8 0.324 21.748 10.631
83 HB3 LEU 8 HB3 LEU 8 1.598 20.781 9.936
84 HG LEU 8 HG LEU 8 1.359 22.809 8.722
85 HD11 LEU 8 HD11 LEU 8 0.383 20.605 6.943
86 HD12 LEU 8 HD12 LEU 8 1.262 22.080 6.488
87 HD13 LEU 8 HD13 LEU 8 2.055 20.860 7.478
88 HD21 LEU 8 HD21 LEU 8 -1.505 22.180 8.022
89 HD22 LEU 8 HD22 LEU 8 -0.959 23.356 9.227
90 HD23 LEU 8 HD23 LEU 8 -0.535 23.567 7.527
91 H THR 9 H THR 9 -1.761 20.921 11.630
92 HA THR 9 HA THR 9 -4.257 21.128 9.985
93 HB THR 9 HB THR 9 -4.166 20.976 13.006
94 HG1 THR 9 HG1 THR 9 -3.552 19.000 12.173
95 HG21 THR 9 HG21 THR 9 -6.581 20.490 12.755
96 HG22 THR 9 HG22 THR 9 -6.180 22.079 12.085
97 HG23 THR 9 HG23 THR 9 -6.440 20.701 10.996
98 H LYS 10 H LYS 10 -4.973 23.106 9.615
99 HA LYS 10 HA LYS 10 -3.453 25.454 10.528
100 HB2 LYS 10 HB2 LYS 10 -5.876 25.170 8.705
101 HB3 LYS 10 HB3 LYS 10 -4.967 26.661 8.973
102 HG2 LYS 10 HG2 LYS 10 -2.892 25.436 8.116
103 HG3 LYS 10 HG3 LYS 10 -3.961 24.126 7.605
104 HD2 LYS 10 HD2 LYS 10 -4.189 27.052 6.748
105 HD3 LYS 10 HD3 LYS 10 -3.408 25.795 5.792
106 HE2 LYS 10 HE2 LYS 10 -5.443 24.676 5.342
107 HE3 LYS 10 HE3 LYS 10 -6.293 25.478 6.675
108 HZ1 LYS 10 HZ1 LYS 10 -5.334 26.925 4.272
109 HZ2 LYS 10 HZ2 LYS 10 -6.874 26.403 4.480
110 HZ3 LYS 10 HZ3 LYS 10 -6.261 27.522 5.505
111 H ALA 11 H ALA 11 -4.437 27.380 11.369
112 HA ALA 11 HA ALA 11 -6.357 27.126 13.491
113 HB1 ALA 11 HB1 ALA 11 -5.439 29.574 11.919
114 HB2 ALA 11 HB2 ALA 11 -6.283 29.585 13.482
115 HB3 ALA 11 HB3 ALA 11 -4.653 28.902 13.370
116 H ASP 12 H ASP 12 -6.750 27.517 10.040
117 HA ASP 12 HA ASP 12 -9.511 28.354 9.976
118 HB2 ASP 12 HB2 ASP 12 -7.981 26.652 7.970
119 HB3 ASP 12 HB3 ASP 12 -9.458 27.562 7.655
120 H GLY 13 H GLY 13 -8.170 25.405 11.079
121 HA2 GLY 13 HA2 GLY 13 -9.201 23.467 11.827
122 HA3 GLY 13 HA3 GLY 13 -10.719 23.948 11.064
123 H GLY 14 H GLY 14 -8.714 24.361 8.561
124 HA2 GLY 14 HA2 GLY 14 -9.144 21.729 7.330
125 HA3 GLY 14 HA3 GLY 14 -8.381 23.136 6.588
126 H ARG 15 H ARG 15 -7.265 20.765 6.062
127 HA ARG 15 HA ARG 15 -4.725 20.716 7.646
128 HB2 ARG 15 HB2 ARG 15 -6.422 18.376 6.701
129 HB3 ARG 15 HB3 ARG 15 -4.689 18.217 7.035
130 HG2 ARG 15 HG2 ARG 15 -5.024 19.103 9.313
131 HG3 ARG 15 HG3 ARG 15 -6.764 19.220 9.025
132 HD2 ARG 15 HD2 ARG 15 -6.997 16.853 8.835
133 HD3 ARG 15 HD3 ARG 15 -5.239 16.608 8.784
134 HE ARG 15 HE ARG 15 -5.570 17.913 11.160
135 HH11 ARG 15 HH11 ARG 15 -7.031 14.938 9.980
136 HH12 ARG 15 HH12 ARG 15 -7.175 14.286 11.599
137 HH21 ARG 15 HH21 ARG 15 -5.829 17.059 13.130
138 HH22 ARG 15 HH22 ARG 15 -6.531 15.468 13.341
139 H VAL 16 H VAL 16 -2.894 20.034 6.650
140 HA VAL 16 HA VAL 16 -2.702 20.396 3.674
141 HB VAL 16 HB VAL 16 -1.161 21.753 5.873
142 HG11 VAL 16 HG11 VAL 16 0.547 21.087 4.306
143 HG12 VAL 16 HG12 VAL 16 -0.405 21.749 2.941
144 HG13 VAL 16 HG13 VAL 16 0.272 22.814 4.205
145 HG21 VAL 16 HG21 VAL 16 -1.767 23.833 4.749
146 HG22 VAL 16 HG22 VAL 16 -2.690 22.910 3.538
147 HG23 VAL 16 HG23 VAL 16 -3.192 22.919 5.248
148 H GLU 17 H GLU 17 -1.184 19.120 2.672
149 HA GLU 17 HA GLU 17 0.630 17.425 4.298
150 HB2 GLU 17 HB2 GLU 17 -1.269 16.397 2.168
151 HB3 GLU 17 HB3 GLU 17 0.103 15.489 2.816
152 HG2 GLU 17 HG2 GLU 17 -0.871 15.686 5.105
153 HG3 GLU 17 HG3 GLU 17 -2.301 16.460 4.422
154 H ILE 18 H ILE 18 2.579 16.917 3.321
155 HA ILE 18 HA ILE 18 3.120 17.958 0.564
156 HB ILE 18 HB ILE 18 4.911 18.392 2.973
157 HG12 ILE 18 HG12 ILE 18 3.364 20.570 1.504
158 HG13 ILE 18 HG13 ILE 18 2.808 19.848 3.014
159 HG21 ILE 18 HG21 ILE 18 6.118 18.150 0.803
160 HG22 ILE 18 HG22 ILE 18 5.141 19.465 0.129
161 HG23 ILE 18 HG23 ILE 18 6.275 19.770 1.457
162 HD11 ILE 18 HD11 ILE 18 5.397 21.392 2.709
163 HD12 ILE 18 HD12 ILE 18 3.907 21.881 3.531
164 HD13 ILE 18 HD13 ILE 18 4.852 20.528 4.174
165 H GLY 19 H GLY 19 4.079 16.453 -0.681
166 HA2 GLY 19 HA2 GLY 19 5.300 14.016 0.528
167 HA3 GLY 19 HA3 GLY 19 4.789 14.223 -1.144
168 H ASP 20 H ASP 20 7.242 13.142 -0.433
169 HA ASP 20 HA ASP 20 9.476 13.231 -0.692
170 HB2 ASP 20 HB2 ASP 20 9.026 15.172 -2.969
171 HB3 ASP 20 HB3 ASP 20 10.320 14.016 -2.755
172 H VAL 21 H VAL 21 8.925 14.641 1.460
173 HA VAL 21 HA VAL 21 10.152 17.311 1.435
174 HB VAL 21 HB VAL 21 9.150 15.549 3.703
175 HG11 VAL 21 HG11 VAL 21 10.407 18.317 3.784
176 HG12 VAL 21 HG12 VAL 21 9.468 17.597 5.105
177 HG13 VAL 21 HG13 VAL 21 10.983 16.858 4.621
178 HG21 VAL 21 HG21 VAL 21 7.428 17.341 3.835
179 HG22 VAL 21 HG22 VAL 21 8.168 18.146 2.438
180 HG23 VAL 21 HG23 VAL 21 7.421 16.543 2.256
181 H LEU 22 H LEU 22 12.187 17.709 1.477
182 HA LEU 22 HA LEU 22 14.134 15.544 1.963
183 HB2 LEU 22 HB2 LEU 22 13.965 16.732 -0.239
184 HB3 LEU 22 HB3 LEU 22 14.403 18.236 0.570
185 HG LEU 22 HG LEU 22 16.629 17.315 1.113
186 HD11 LEU 22 HD11 LEU 22 15.649 14.838 -0.382
187 HD12 LEU 22 HD12 LEU 22 17.343 15.160 0.025
188 HD13 LEU 22 HD13 LEU 22 16.160 14.922 1.319
189 HD21 LEU 22 HD21 LEU 22 17.524 17.268 -1.153
190 HD22 LEU 22 HD22 LEU 22 15.907 16.914 -1.810
191 HD23 LEU 22 HD23 LEU 22 16.231 18.480 -1.046
192 H GLU 23 H GLU 23 13.074 18.614 3.389
193 HA GLU 23 HA GLU 23 14.653 17.999 5.749
194 HB2 GLU 23 HB2 GLU 23 16.308 19.190 4.273
195 HB3 GLU 23 HB3 GLU 23 15.259 20.611 4.268
196 HG2 GLU 23 HG2 GLU 23 15.676 21.088 6.540
197 HG3 GLU 23 HG3 GLU 23 16.158 19.430 6.901
198 H VAL 24 H VAL 24 13.915 19.114 7.610
199 HA VAL 24 HA VAL 24 12.032 21.379 7.261
200 HB VAL 24 HB VAL 24 10.650 20.702 9.170
201 HG11 VAL 24 HG11 VAL 24 9.223 19.137 8.019
202 HG12 VAL 24 HG12 VAL 24 9.889 20.316 6.880
203 HG13 VAL 24 HG13 VAL 24 10.532 18.652 6.941
204 HG21 VAL 24 HG21 VAL 24 12.204 19.033 10.218
205 HG22 VAL 24 HG22 VAL 24 10.560 18.420 9.977
206 HG23 VAL 24 HG23 VAL 24 11.857 17.950 8.848
207 H ARG 25 H ARG 25 12.033 22.897 8.873
208 HA ARG 25 HA ARG 25 13.973 22.665 11.129
209 HB2 ARG 25 HB2 ARG 25 13.931 25.016 9.198
210 HB3 ARG 25 HB3 ARG 25 14.897 24.881 10.668
211 HG2 ARG 25 HG2 ARG 25 16.084 22.894 9.643
212 HG3 ARG 25 HG3 ARG 25 15.189 23.202 8.136
213 HD2 ARG 25 HD2 ARG 25 16.127 25.503 8.073
214 HD3 ARG 25 HD3 ARG 25 17.072 25.136 9.532
215 HE ARG 25 HE ARG 25 17.542 23.187 7.425
216 HH11 ARG 25 HH11 ARG 25 19.279 23.114 6.305
217 HH12 ARG 25 HH12 ARG 25 20.473 24.415 6.271
218 HH21 ARG 25 HH21 ARG 25 18.576 26.418 8.376
219 HH22 ARG 25 HH22 ARG 25 20.039 26.280 7.427
220 H ALA 26 H ALA 26 13.339 23.650 12.961
221 HA ALA 26 HA ALA 26 10.837 25.240 13.016
222 HB1 ALA 26 HB1 ALA 26 11.062 23.422 14.665
223 HB2 ALA 26 HB2 ALA 26 12.565 24.149 15.265
224 HB3 ALA 26 HB3 ALA 26 11.032 25.017 15.451
225 H GLU 27 H GLU 27 10.812 27.351 13.466
226 HA GLU 27 HA GLU 27 13.301 28.855 14.144
227 HB2 GLU 27 HB2 GLU 27 11.211 29.397 12.031
228 HB3 GLU 27 HB3 GLU 27 11.873 30.767 12.905
229 HG2 GLU 27 HG2 GLU 27 14.160 30.126 12.356
230 HG3 GLU 27 HG3 GLU 27 13.578 28.697 11.483
231 H GLY 28 H GLY 28 12.642 31.065 15.035
232 HA2 GLY 28 HA2 GLY 28 11.302 30.682 17.535
233 HA3 GLY 28 HA3 GLY 28 11.987 32.180 16.899
234 H GLY 29 H GLY 29 9.279 30.148 15.775
235 HA2 GLY 29 HA2 GLY 29 6.996 31.281 16.496
236 HA3 GLY 29 HA3 GLY 29 7.541 32.516 15.358
237 H ALA 30 H ALA 30 8.628 29.591 14.083
238 HA ALA 30 HA ALA 30 6.167 28.827 12.683
239 HB1 ALA 30 HB1 ALA 30 8.475 30.182 11.204
240 HB2 ALA 30 HB2 ALA 30 7.012 29.495 10.463
241 HB3 ALA 30 HB3 ALA 30 6.895 30.925 11.518
242 H VAL 31 H VAL 31 6.441 27.089 11.180
243 HA VAL 31 HA VAL 31 9.069 25.612 11.295
244 HB VAL 31 HB VAL 31 6.304 24.539 10.628
245 HG11 VAL 31 HG11 VAL 31 9.036 23.181 10.448
246 HG12 VAL 31 HG12 VAL 31 7.493 22.317 10.446
247 HG13 VAL 31 HG13 VAL 31 7.867 23.417 9.118
248 HG21 VAL 31 HG21 VAL 31 6.853 24.784 13.028
249 HG22 VAL 31 HG22 VAL 31 6.723 23.087 12.564
250 HG23 VAL 31 HG23 VAL 31 8.327 23.821 12.800
251 H ARG 32 H ARG 32 10.147 25.174 9.450
252 HA ARG 32 HA ARG 32 9.030 26.062 6.820
253 HB2 ARG 32 HB2 ARG 32 11.886 26.229 7.864
254 HB3 ARG 32 HB3 ARG 32 11.451 26.397 6.158
255 HG2 ARG 32 HG2 ARG 32 10.091 28.368 6.624
256 HG3 ARG 32 HG3 ARG 32 10.295 28.156 8.367
257 HD2 ARG 32 HD2 ARG 32 11.787 29.896 7.665
258 HD3 ARG 32 HD3 ARG 32 12.729 28.484 8.147
259 HE ARG 32 HE ARG 32 12.283 28.452 5.294
260 HH11 ARG 32 HH11 ARG 32 14.234 30.143 7.704
261 HH12 ARG 32 HH12 ARG 32 15.441 30.566 6.518
262 HH21 ARG 32 HH21 ARG 32 13.875 28.960 3.891
263 HH22 ARG 32 HH22 ARG 32 15.259 29.911 4.419
264 H VAL 33 H VAL 33 9.406 24.789 5.087
265 HA VAL 33 HA VAL 33 10.517 22.038 5.466
266 HB VAL 33 HB VAL 33 8.065 22.665 3.817
267 HG11 VAL 33 HG11 VAL 33 9.176 20.630 3.146
268 HG12 VAL 33 HG12 VAL 33 9.139 20.034 4.817
269 HG13 VAL 33 HG13 VAL 33 7.630 20.254 3.918
270 HG21 VAL 33 HG21 VAL 33 7.352 23.141 6.110
271 HG22 VAL 33 HG22 VAL 33 6.653 21.618 5.578
272 HG23 VAL 33 HG23 VAL 33 8.051 21.611 6.677
273 H THR 34 H THR 34 11.702 21.283 3.759
274 HA THR 34 HA THR 34 11.758 22.848 1.191
275 HB THR 34 HB THR 34 14.080 21.421 2.522
276 HG1 THR 34 HG1 THR 34 13.608 23.387 3.480
277 HG21 THR 34 HG21 THR 34 15.418 22.502 0.698
278 HG22 THR 34 HG22 THR 34 14.297 21.284 0.080
279 HG23 THR 34 HG23 THR 34 13.911 23.013 -0.082
280 H THR 35 H THR 35 11.071 21.693 -0.493
281 HA THR 35 HA THR 35 10.729 18.758 -0.285
282 HB THR 35 HB THR 35 9.534 18.905 -2.374
283 HG1 THR 35 HG1 THR 35 9.998 21.683 -2.323
284 HG21 THR 35 HG21 THR 35 8.599 21.154 -0.547
285 HG22 THR 35 HG22 THR 35 7.626 20.257 -1.728
286 HG23 THR 35 HG23 THR 35 8.274 19.421 -0.309
287 H LEU 36 H LEU 36 11.271 17.379 -2.106
288 HA LEU 36 HA LEU 36 13.854 17.213 -3.076
289 HB2 LEU 36 HB2 LEU 36 12.068 15.494 -3.186
290 HB3 LEU 36 HB3 LEU 36 11.182 16.468 -4.348
291 HG LEU 36 HG LEU 36 13.075 16.158 -5.996
292 HD11 LEU 36 HD11 LEU 36 14.664 14.319 -5.524
293 HD12 LEU 36 HD12 LEU 36 14.900 15.661 -4.398
294 HD13 LEU 36 HD13 LEU 36 14.038 14.207 -3.867
295 HD21 LEU 36 HD21 LEU 36 11.771 13.643 -4.879
296 HD22 LEU 36 HD22 LEU 36 11.080 14.756 -6.080
297 HD23 LEU 36 HD23 LEU 36 12.520 13.798 -6.485
298 H PHE 37 H PHE 37 11.252 19.218 -4.367
299 HA PHE 37 HA PHE 37 12.553 19.751 -6.917
300 HB2 PHE 37 HB2 PHE 37 10.058 21.017 -5.767
301 HB3 PHE 37 HB3 PHE 37 10.502 20.868 -7.464
302 HD1 PHE 37 HD1 PHE 37 10.807 18.412 -8.386
303 HD2 PHE 37 HD2 PHE 37 8.659 19.378 -4.780
304 HE1 PHE 37 HE1 PHE 37 9.706 16.185 -8.448
305 HE2 PHE 37 HE2 PHE 37 7.572 17.125 -4.834
306 HZ PHE 37 HZ PHE 37 8.104 15.534 -6.660
307 H ASP 38 H ASP 38 13.411 20.885 -4.061
308 HA ASP 38 HA ASP 38 14.325 22.684 -3.112
309 HB2 ASP 38 HB2 ASP 38 14.719 23.866 -5.874
310 HB3 ASP 38 HB3 ASP 38 15.550 24.329 -4.392
311 H GLU 39 H GLU 39 11.344 22.730 -4.048
312 HA GLU 39 HA GLU 39 10.658 25.577 -3.664
313 HB2 GLU 39 HB2 GLU 39 9.248 24.152 -5.089
314 HB3 GLU 39 HB3 GLU 39 8.923 23.080 -3.733
315 HG2 GLU 39 HG2 GLU 39 7.794 24.924 -2.516
316 HG3 GLU 39 HG3 GLU 39 8.208 26.034 -3.827
317 H GLU 40 H GLU 40 10.278 26.545 -1.759
318 HA GLU 40 HA GLU 40 10.327 24.927 0.737
319 HB2 GLU 40 HB2 GLU 40 10.813 27.884 0.280
320 HB3 GLU 40 HB3 GLU 40 10.644 27.129 1.871
321 HG2 GLU 40 HG2 GLU 40 12.558 25.616 1.334
322 HG3 GLU 40 HG3 GLU 40 12.785 26.471 -0.192
323 H HIS 41 H HIS 41 8.851 25.167 2.331
324 HA HIS 41 HA HIS 41 6.394 26.794 1.886
325 HB2 HIS 41 HB2 HIS 41 6.404 23.938 2.914
326 HB3 HIS 41 HB3 HIS 41 5.014 25.000 2.844
327 HD2 HIS 41 HD2 HIS 41 7.124 22.682 0.689
328 HE1 HIS 41 HE1 HIS 41 4.223 24.379 -1.944
329 HE2 HIS 41 HE2 HIS 41 6.060 22.634 -1.730
330 H ALA 42 H ALA 42 5.393 27.534 3.835
331 HA ALA 42 HA ALA 42 6.943 27.214 6.336
332 HB1 ALA 42 HB1 ALA 42 7.045 29.642 6.657
333 HB2 ALA 42 HB2 ALA 42 7.907 29.168 5.173
334 HB3 ALA 42 HB3 ALA 42 6.288 29.911 5.077
335 H PHE 43 H PHE 43 5.848 27.422 8.182
336 HA PHE 43 HA PHE 43 2.906 27.966 8.128
337 HB2 PHE 43 HB2 PHE 43 4.258 25.543 9.334
338 HB3 PHE 43 HB3 PHE 43 2.540 25.957 9.406
339 HD1 PHE 43 HD1 PHE 43 1.171 26.060 7.282
340 HD2 PHE 43 HD2 PHE 43 5.164 24.432 7.389
341 HE1 PHE 43 HE1 PHE 43 0.822 25.054 5.044
342 HE2 PHE 43 HE2 PHE 43 4.813 23.413 5.163
343 HZ PHE 43 HZ PHE 43 2.638 23.746 3.977
344 HA PRO 44 HA PRO 44 4.713 30.232 11.702
345 HB2 PRO 44 HB2 PRO 44 2.930 32.303 11.747
346 HB3 PRO 44 HB3 PRO 44 4.374 32.239 10.683
347 HG2 PRO 44 HG2 PRO 44 1.517 31.533 9.975
348 HG3 PRO 44 HG3 PRO 44 2.695 32.510 9.029
349 HD2 PRO 44 HD2 PRO 44 2.217 29.891 8.509
350 HD3 PRO 44 HD3 PRO 44 3.837 30.608 8.302
351 H GLY 45 H GLY 45 4.103 30.278 13.793
352 HA2 GLY 45 HA2 GLY 45 2.806 29.972 15.712
353 HA3 GLY 45 HA3 GLY 45 1.399 29.597 14.728
354 H LEU 46 H LEU 46 3.914 27.651 13.613
355 HA LEU 46 HA LEU 46 3.107 25.376 15.361
356 HB2 LEU 46 HB2 LEU 46 4.211 25.276 12.538
357 HB3 LEU 46 HB3 LEU 46 3.693 23.911 13.507
358 HG LEU 46 HG LEU 46 1.927 26.095 12.325
359 HD11 LEU 46 HD11 LEU 46 1.914 23.078 11.900
360 HD12 LEU 46 HD12 LEU 46 1.030 24.315 10.973
361 HD13 LEU 46 HD13 LEU 46 2.794 24.193 10.855
362 HD21 LEU 46 HD21 LEU 46 1.132 23.737 14.106
363 HD22 LEU 46 HD22 LEU 46 0.912 25.469 14.478
364 HD23 LEU 46 HD23 LEU 46 0.006 24.720 13.164
365 H ALA 47 H ALA 47 4.626 23.709 15.690
366 HA ALA 47 HA ALA 47 7.508 24.160 15.222
367 HB1 ALA 47 HB1 ALA 47 8.060 23.329 17.485
368 HB2 ALA 47 HB2 ALA 47 7.190 24.862 17.552
369 HB3 ALA 47 HB3 ALA 47 6.339 23.342 17.914
370 H ILE 48 H ILE 48 8.698 22.039 15.266
371 HA ILE 48 HA ILE 48 7.177 19.888 14.014
372 HB ILE 48 HB ILE 48 10.030 19.936 15.026
373 HG12 ILE 48 HG12 ILE 48 9.228 19.975 12.096
374 HG13 ILE 48 HG13 ILE 48 9.295 21.487 12.996
375 HG21 ILE 48 HG21 ILE 48 8.552 17.923 13.245
376 HG22 ILE 48 HG22 ILE 48 10.293 17.913 13.521
377 HG23 ILE 48 HG23 ILE 48 9.195 17.611 14.870
378 HD11 ILE 48 HD11 ILE 48 11.393 21.118 11.819
379 HD12 ILE 48 HD12 ILE 48 11.658 21.089 13.579
380 HD13 ILE 48 HD13 ILE 48 11.628 19.571 12.650
381 H GLY 49 H GLY 49 6.006 18.372 15.036
382 HA2 GLY 49 HA2 GLY 49 6.054 18.321 18.009
383 HA3 GLY 49 HA3 GLY 49 4.704 17.973 16.942
384 H ARG 50 H ARG 50 5.847 16.046 15.220
385 HA ARG 50 HA ARG 50 6.965 13.874 16.876
386 HB2 ARG 50 HB2 ARG 50 4.641 13.642 17.417
387 HB3 ARG 50 HB3 ARG 50 4.150 13.834 15.737
388 HG2 ARG 50 HG2 ARG 50 5.102 11.675 15.144
389 HG3 ARG 50 HG3 ARG 50 5.731 11.451 16.789
390 HD2 ARG 50 HD2 ARG 50 3.494 11.314 17.707
391 HD3 ARG 50 HD3 ARG 50 2.774 11.842 16.170
392 HE ARG 50 HE ARG 50 4.063 9.638 15.335
393 HH11 ARG 50 HH11 ARG 50 1.821 9.960 18.016
394 HH12 ARG 50 HH12 ARG 50 1.369 8.279 17.932
395 HH21 ARG 50 HH21 ARG 50 3.579 7.555 15.369
396 HH22 ARG 50 HH22 ARG 50 2.344 6.930 16.444
397 H VAL 51 H VAL 51 7.879 12.213 15.741
398 HA VAL 51 HA VAL 51 7.835 12.288 12.759
399 HB VAL 51 HB VAL 51 10.394 11.830 14.324
400 HG11 VAL 51 HG11 VAL 51 10.337 10.764 12.096
401 HG12 VAL 51 HG12 VAL 51 9.861 12.293 11.351
402 HG13 VAL 51 HG13 VAL 51 11.459 12.124 12.100
403 HG21 VAL 51 HG21 VAL 51 9.571 14.379 12.877
404 HG22 VAL 51 HG22 VAL 51 9.825 14.187 14.629
405 HG23 VAL 51 HG23 VAL 51 11.187 14.008 13.529
406 H ASP 52 H ASP 52 7.400 10.327 11.919
407 HA ASP 52 HA ASP 52 7.919 7.853 13.554
408 HB2 ASP 52 HB2 ASP 52 5.763 8.379 11.482
409 HB3 ASP 52 HB3 ASP 52 6.180 6.785 12.130
410 H LEU 53 H LEU 53 9.810 7.032 12.876
411 HA LEU 53 HA LEU 53 10.697 7.264 10.079
412 HB2 LEU 53 HB2 LEU 53 11.924 5.833 12.465
413 HB3 LEU 53 HB3 LEU 53 12.673 6.055 10.904
414 HG LEU 53 HG LEU 53 13.699 7.596 12.302
415 HD11 LEU 53 HD11 LEU 53 13.208 9.786 11.326
416 HD12 LEU 53 HD12 LEU 53 13.136 8.511 10.091
417 HD13 LEU 53 HD13 LEU 53 11.646 9.207 10.749
418 HD21 LEU 53 HD21 LEU 53 11.093 8.878 13.170
419 HD22 LEU 53 HD22 LEU 53 11.981 7.657 14.115
420 HD23 LEU 53 HD23 LEU 53 12.735 9.206 13.739
421 H ARG 54 H ARG 54 8.714 5.145 11.756
422 HA ARG 54 HA ARG 54 9.044 2.689 10.249
423 HB2 ARG 54 HB2 ARG 54 6.678 3.920 11.727
424 HB3 ARG 54 HB3 ARG 54 6.712 2.260 11.113
425 HG2 ARG 54 HG2 ARG 54 8.563 1.656 12.547
426 HG3 ARG 54 HG3 ARG 54 8.725 3.305 13.160
427 HD2 ARG 54 HD2 ARG 54 6.243 1.576 13.530
428 HD3 ARG 54 HD3 ARG 54 7.553 1.739 14.707
429 HE ARG 54 HE ARG 54 5.930 4.082 13.752
430 HH11 ARG 54 HH11 ARG 54 7.185 2.335 16.533
431 HH12 ARG 54 HH12 ARG 54 6.686 3.617 17.620
432 HH21 ARG 54 HH21 ARG 54 5.409 5.665 15.214
433 HH22 ARG 54 HH22 ARG 54 5.724 5.360 16.918
434 H SER 55 H SER 55 7.517 5.740 9.493
435 HA SER 55 HA SER 55 6.446 4.665 6.915
436 HB2 SER 55 HB2 SER 55 4.359 5.885 7.342
437 HB3 SER 55 HB3 SER 55 4.665 4.690 8.613
438 HG SER 55 HG SER 55 4.049 6.683 9.507
439 H GLY 56 H GLY 56 8.208 7.203 8.428
440 HA2 GLY 56 HA2 GLY 56 9.383 8.909 7.382
441 HA3 GLY 56 HA3 GLY 56 8.451 8.687 5.900
442 H VAL 57 H VAL 57 6.367 8.927 8.617
443 HA VAL 57 HA VAL 57 5.375 11.509 7.691
444 HB VAL 57 HB VAL 57 4.502 9.722 9.981
445 HG11 VAL 57 HG11 VAL 57 3.227 12.296 8.965
446 HG12 VAL 57 HG12 VAL 57 2.437 11.126 10.045
447 HG13 VAL 57 HG13 VAL 57 3.862 11.994 10.608
448 HG21 VAL 57 HG21 VAL 57 2.581 9.261 8.543
449 HG22 VAL 57 HG22 VAL 57 3.200 10.386 7.311
450 HG23 VAL 57 HG23 VAL 57 4.077 8.880 7.674
451 H ILE 58 H ILE 58 5.726 13.442 8.399
452 HA ILE 58 HA ILE 58 6.901 13.976 11.103
453 HB ILE 58 HB ILE 58 7.273 15.415 8.462
454 HG12 ILE 58 HG12 ILE 58 9.303 14.388 10.499
455 HG13 ILE 58 HG13 ILE 58 8.802 13.513 9.042
456 HG21 ILE 58 HG21 ILE 58 7.942 16.452 11.257
457 HG22 ILE 58 HG22 ILE 58 8.464 17.211 9.729
458 HG23 ILE 58 HG23 ILE 58 6.770 17.164 10.109
459 HD11 ILE 58 HD11 ILE 58 9.631 15.445 7.663
460 HD12 ILE 58 HD12 ILE 58 10.348 16.102 9.162
461 HD13 ILE 58 HD13 ILE 58 10.879 14.540 8.537
462 H SER 59 H SER 59 5.516 14.953 12.429
463 HA SER 59 HA SER 59 3.040 16.234 11.327
464 HB2 SER 59 HB2 SER 59 2.599 14.065 12.407
465 HB3 SER 59 HB3 SER 59 3.368 14.643 13.887
466 HG SER 59 HG SER 59 1.073 14.881 13.926
467 H LEU 60 H LEU 60 2.633 18.251 11.936
468 HA LEU 60 HA LEU 60 4.495 19.577 13.847
469 HB2 LEU 60 HB2 LEU 60 2.656 20.908 11.869
470 HB3 LEU 60 HB3 LEU 60 4.008 21.620 12.744
471 HG LEU 60 HG LEU 60 4.156 19.597 10.458
472 HD11 LEU 60 HD11 LEU 60 5.276 21.442 9.281
473 HD12 LEU 60 HD12 LEU 60 3.645 21.898 9.781
474 HD13 LEU 60 HD13 LEU 60 5.037 22.495 10.704
475 HD21 LEU 60 HD21 LEU 60 6.615 19.909 10.550
476 HD22 LEU 60 HD22 LEU 60 6.427 20.828 12.065
477 HD23 LEU 60 HD23 LEU 60 6.003 19.109 11.997
478 H ILE 61 H ILE 61 3.762 21.002 15.436
479 HA ILE 61 HA ILE 61 0.888 20.848 16.254
480 HB ILE 61 HB ILE 61 1.562 20.567 18.592
481 HG12 ILE 61 HG12 ILE 61 3.898 19.456 18.938
482 HG13 ILE 61 HG13 ILE 61 4.390 20.372 17.516
483 HG21 ILE 61 HG21 ILE 61 0.835 18.669 17.237
484 HG22 ILE 61 HG22 ILE 61 2.513 18.300 16.800
485 HG23 ILE 61 HG23 ILE 61 1.991 18.181 18.494
486 HD11 ILE 61 HD11 ILE 61 3.867 22.484 18.712
487 HD12 ILE 61 HD12 ILE 61 3.205 21.559 20.075
488 HD13 ILE 61 HD13 ILE 61 4.932 21.467 19.677
489 H GLU 62 H GLU 62 0.201 22.572 17.726
490 HA GLU 62 HA GLU 62 1.195 25.131 16.807
491 HB2 GLU 62 HB2 GLU 62 -0.835 24.452 18.969
492 HB3 GLU 62 HB3 GLU 62 -0.483 26.075 18.353
493 HG2 GLU 62 HG2 GLU 62 -1.165 25.369 16.075
494 HG3 GLU 62 HG3 GLU 62 -1.574 23.763 16.693
495 H GLU 63 H GLU 63 2.742 26.389 17.611
496 HA GLU 63 HA GLU 63 4.011 25.760 20.202
497 HB2 GLU 63 HB2 GLU 63 5.703 27.282 19.613
498 HB3 GLU 63 HB3 GLU 63 5.364 26.283 18.211
499 HG2 GLU 63 HG2 GLU 63 5.132 28.112 16.949
500 HG3 GLU 63 HG3 GLU 63 3.724 28.573 17.868
501 H GLN 64 H GLN 64 1.638 27.994 18.967
502 HA GLN 64 HA GLN 64 1.621 29.659 21.398
503 HB2 GLN 64 HB2 GLN 64 -0.088 29.652 18.889
504 HB3 GLN 64 HB3 GLN 64 -0.394 30.706 20.262
505 HG2 GLN 64 HG2 GLN 64 2.169 30.661 18.610
506 HG3 GLN 64 HG3 GLN 64 0.881 31.860 18.487
507 HE21 GLN 64 HE21 GLN 64 3.914 31.728 19.545
508 HE22 GLN 64 HE22 GLN 64 3.772 32.794 20.954
509 H ASN 65 H ASN 65 0.272 29.422 23.057
510 HA ASN 65 HA ASN 65 -1.889 27.367 23.018
511 HB2 ASN 65 HB2 ASN 65 0.532 27.405 24.866
512 HB3 ASN 65 HB3 ASN 65 -0.922 26.476 25.201
513 HD21 ASN 65 HD21 ASN 65 1.979 26.565 23.210
514 HD22 ASN 65 HD22 ASN 65 1.655 25.031 22.416
515 H ARG 66 H ARG 66 -2.033 30.239 22.994
516 HA ARG 66 HA ARG 66 -3.853 30.669 25.245
517 HB2 ARG 66 HB2 ARG 66 -2.833 32.784 25.956
518 HB3 ARG 66 HB3 ARG 66 -1.821 31.403 26.268
519 HG2 ARG 66 HG2 ARG 66 -0.466 33.259 25.577
520 HG3 ARG 66 HG3 ARG 66 -0.322 31.951 24.413
521 HD2 ARG 66 HD2 ARG 66 -0.405 34.211 23.379
522 HD3 ARG 66 HD3 ARG 66 -1.656 33.132 22.795
523 HE ARG 66 HE ARG 66 -3.322 34.305 24.003
524 HH11 ARG 66 HH11 ARG 66 -0.251 35.990 24.340
525 HH12 ARG 66 HH12 ARG 66 -1.032 37.440 24.911
526 HH21 ARG 66 HH21 ARG 66 -4.208 36.176 24.699
527 HH22 ARG 66 HH22 ARG 66 -3.208 37.548 25.101
528 H1 GLY -3 H1 GLY -3 5.866 -0.116 1.678
529 H2 GLY -3 H2 GLY -3 5.026 0.773 2.768
530 H3 GLY -3 H3 GLY -3 4.377 -0.610 2.159
531 HA2 GLY -3 HA2 GLY -3 5.156 -0.980 4.403
532 HA3 GLY -3 HA3 GLY -3 6.070 -1.944 3.217
533 HA PRO -2 HA PRO -2 8.929 0.696 5.891
534 HB2 PRO -2 HB2 PRO -2 10.179 -1.232 7.355
535 HB3 PRO -2 HB3 PRO -2 8.556 -0.610 7.769
536 HG2 PRO -2 HG2 PRO -2 9.216 -3.118 6.187
537 HG3 PRO -2 HG3 PRO -2 8.132 -2.962 7.607
538 HD2 PRO -2 HD2 PRO -2 7.178 -2.917 5.064
539 HD3 PRO -2 HD3 PRO -2 6.473 -1.870 6.339
540 H GLY -1 H GLY -1 9.418 -1.795 3.530
541 HA2 GLY -1 HA2 GLY -1 12.302 -1.764 3.368
542 HA3 GLY -1 HA3 GLY -1 11.184 -2.296 2.115
543 H SER 0 H SER 0 13.466 -1.025 1.416
544 HA SER 0 HA SER 0 14.410 0.635 0.227
545 HB2 SER 0 HB2 SER 0 11.581 1.402 -0.565
546 HB3 SER 0 HB3 SER 0 13.078 1.862 -1.391
547 HG SER 0 HG SER 0 12.036 -0.769 -1.047
548 H MET 1 H MET 1 13.590 1.298 3.036
549 HA MET 1 HA MET 1 14.626 4.030 3.009
550 HB2 MET 1 HB2 MET 1 12.901 4.991 4.415
551 HB3 MET 1 HB3 MET 1 12.204 4.470 2.895
552 HG2 MET 1 HG2 MET 1 11.313 2.443 3.965
553 HG3 MET 1 HG3 MET 1 12.041 2.908 5.511
554 HE1 MET 1 HE1 MET 1 9.952 5.907 6.699
555 HE2 MET 1 HE2 MET 1 11.407 4.913 6.902
556 HE3 MET 1 HE3 MET 1 11.355 6.151 5.626
557 H CYS 2 H CYS 2 15.017 4.747 5.376
558 HA CYS 2 HA CYS 2 15.615 2.479 7.195
559 HB2 CYS 2 HB2 CYS 2 17.959 3.190 7.405
560 HB3 CYS 2 HB3 CYS 2 17.576 2.690 5.753
561 HG CYS 2 HG CYS 2 19.235 4.720 5.702
562 H MET 3 H MET 3 16.372 3.128 9.317
563 HA MET 3 HA MET 3 14.696 5.187 10.467
564 HB2 MET 3 HB2 MET 3 16.829 3.359 11.601
565 HB3 MET 3 HB3 MET 3 15.952 4.522 12.585
566 HG2 MET 3 HG2 MET 3 13.806 3.509 11.981
567 HG3 MET 3 HG3 MET 3 14.617 2.320 10.956
568 HE1 MET 3 HE1 MET 3 16.452 0.025 13.454
569 HE2 MET 3 HE2 MET 3 15.886 0.229 11.786
570 HE3 MET 3 HE3 MET 3 17.101 1.344 12.465
571 H ALA 4 H ALA 4 15.324 6.988 11.682
572 HA ALA 4 HA ALA 4 17.744 8.421 10.782
573 HB1 ALA 4 HB1 ALA 4 16.712 10.327 11.970
574 HB2 ALA 4 HB2 ALA 4 15.559 9.578 10.856
575 HB3 ALA 4 HB3 ALA 4 15.438 9.256 12.603
576 H LYS 5 H LYS 5 18.893 9.673 12.532
577 HA LYS 5 HA LYS 5 19.025 8.281 15.169
578 HB2 LYS 5 HB2 LYS 5 21.388 8.723 15.377
579 HB3 LYS 5 HB3 LYS 5 21.066 7.697 13.985
580 HG2 LYS 5 HG2 LYS 5 21.317 9.681 12.478
581 HG3 LYS 5 HG3 LYS 5 21.670 10.686 13.902
582 HD2 LYS 5 HD2 LYS 5 23.643 9.273 14.411
583 HD3 LYS 5 HD3 LYS 5 23.283 8.265 12.996
584 HE2 LYS 5 HE2 LYS 5 23.537 10.255 11.525
585 HE3 LYS 5 HE3 LYS 5 23.912 11.248 12.938
586 HZ1 LYS 5 HZ1 LYS 5 25.939 10.501 11.828
587 HZ2 LYS 5 HZ2 LYS 5 25.871 9.851 13.321
588 HZ3 LYS 5 HZ3 LYS 5 25.528 8.935 12.009
589 H VAL 6 H VAL 6 19.189 9.544 16.950
590 HA VAL 6 HA VAL 6 18.400 12.409 16.600
591 HB VAL 6 HB VAL 6 17.980 10.473 18.886
592 HG11 VAL 6 HG11 VAL 6 16.677 12.320 19.979
593 HG12 VAL 6 HG12 VAL 6 18.416 12.616 19.944
594 HG13 VAL 6 HG13 VAL 6 17.344 13.443 18.782
595 HG21 VAL 6 HG21 VAL 6 15.626 10.755 18.447
596 HG22 VAL 6 HG22 VAL 6 15.937 12.028 17.255
597 HG23 VAL 6 HG23 VAL 6 16.391 10.355 16.904
598 H VAL 7 H VAL 7 19.567 14.048 17.561
599 HA VAL 7 HA VAL 7 21.833 13.370 19.353
600 HB VAL 7 HB VAL 7 22.835 13.595 17.177
601 HG11 VAL 7 HG11 VAL 7 22.866 15.693 15.921
602 HG12 VAL 7 HG12 VAL 7 21.224 15.066 16.031
603 HG13 VAL 7 HG13 VAL 7 21.718 16.428 17.062
604 HG21 VAL 7 HG21 VAL 7 24.535 15.235 17.682
605 HG22 VAL 7 HG22 VAL 7 23.474 16.080 18.818
606 HG23 VAL 7 HG23 VAL 7 24.048 14.442 19.194
607 H LEU 8 H LEU 8 22.207 14.749 20.995
608 HA LEU 8 HA LEU 8 20.800 17.332 21.222
609 HB2 LEU 8 HB2 LEU 8 19.580 16.745 23.196
610 HB3 LEU 8 HB3 LEU 8 19.205 15.611 21.909
611 HG LEU 8 HG LEU 8 21.125 14.156 23.126
612 HD11 LEU 8 HD11 LEU 8 21.600 15.763 24.958
613 HD12 LEU 8 HD12 LEU 8 19.881 15.801 25.388
614 HD13 LEU 8 HD13 LEU 8 20.829 14.313 25.609
615 HD21 LEU 8 HD21 LEU 8 18.817 13.437 22.676
616 HD22 LEU 8 HD22 LEU 8 19.340 12.968 24.298
617 HD23 LEU 8 HD23 LEU 8 18.257 14.370 24.081
618 H THR 9 H THR 9 21.440 18.610 23.049
619 HA THR 9 HA THR 9 24.183 17.989 24.100
620 HB THR 9 HB THR 9 22.999 20.751 23.742
621 HG1 THR 9 HG1 THR 9 23.278 19.854 21.728
622 HG21 THR 9 HG21 THR 9 25.381 21.437 23.890
623 HG22 THR 9 HG22 THR 9 24.843 20.646 25.375
624 HG23 THR 9 HG23 THR 9 25.844 19.751 24.209
625 H LYS 10 H LYS 10 24.518 17.955 26.222
626 HA LYS 10 HA LYS 10 22.237 18.143 28.088
627 HB2 LYS 10 HB2 LYS 10 25.170 17.411 28.531
628 HB3 LYS 10 HB3 LYS 10 23.885 17.266 29.737
629 HG2 LYS 10 HG2 LYS 10 22.674 15.693 28.135
630 HG3 LYS 10 HG3 LYS 10 24.162 15.664 27.156
631 HD2 LYS 10 HD2 LYS 10 23.968 14.927 30.119
632 HD3 LYS 10 HD3 LYS 10 23.971 13.758 28.786
633 HE2 LYS 10 HE2 LYS 10 26.231 14.437 28.120
634 HE3 LYS 10 HE3 LYS 10 26.238 15.729 29.342
635 HZ1 LYS 10 HZ1 LYS 10 27.403 13.755 30.131
636 HZ2 LYS 10 HZ2 LYS 10 26.112 14.068 31.071
637 HZ3 LYS 10 HZ3 LYS 10 26.060 12.837 29.985
638 H ALA 11 H ALA 11 22.383 19.310 30.109
639 HA ALA 11 HA ALA 11 23.322 22.024 30.011
640 HB1 ALA 11 HB1 ALA 11 21.453 21.229 31.433
641 HB2 ALA 11 HB2 ALA 11 22.596 20.272 32.399
642 HB3 ALA 11 HB3 ALA 11 22.696 22.050 32.382
643 H ASP 12 H ASP 12 24.972 19.070 30.875
644 HA ASP 12 HA ASP 12 27.241 20.211 32.262
645 HB2 ASP 12 HB2 ASP 12 26.980 17.628 30.669
646 HB3 ASP 12 HB3 ASP 12 28.293 18.025 31.780
647 H GLY 13 H GLY 13 26.337 20.511 28.988
648 HA2 GLY 13 HA2 GLY 13 27.461 21.544 27.226
649 HA3 GLY 13 HA3 GLY 13 28.989 21.447 28.109
650 H GLY 14 H GLY 14 27.957 18.379 28.383
651 HA2 GLY 14 HA2 GLY 14 29.420 17.284 26.085
652 HA3 GLY 14 HA3 GLY 14 28.608 16.376 27.362
653 H ARG 15 H ARG 15 28.348 15.431 24.873
654 HA ARG 15 HA ARG 15 25.512 16.026 24.113
655 HB2 ARG 15 HB2 ARG 15 27.922 15.713 22.285
656 HB3 ARG 15 HB3 ARG 15 26.258 15.445 21.727
657 HG2 ARG 15 HG2 ARG 15 25.611 17.696 22.473
658 HG3 ARG 15 HG3 ARG 15 27.274 18.029 22.983
659 HD2 ARG 15 HD2 ARG 15 28.058 17.906 20.710
660 HD3 ARG 15 HD3 ARG 15 26.489 17.294 20.135
661 HE ARG 15 HE ARG 15 25.724 19.610 21.274
662 HH11 ARG 15 HH11 ARG 15 28.242 19.075 18.895
663 HH12 ARG 15 HH12 ARG 15 28.081 20.680 18.242
664 HH21 ARG 15 HH21 ARG 15 25.560 21.597 20.412
665 HH22 ARG 15 HH22 ARG 15 26.562 22.068 19.068
666 H VAL 16 H VAL 16 24.320 14.463 23.160
667 HA VAL 16 HA VAL 16 25.086 11.622 23.677
668 HB VAL 16 HB VAL 16 22.566 13.046 24.601
669 HG11 VAL 16 HG11 VAL 16 21.855 10.846 25.553
670 HG12 VAL 16 HG12 VAL 16 21.862 10.850 23.799
671 HG13 VAL 16 HG13 VAL 16 23.188 10.063 24.680
672 HG21 VAL 16 HG21 VAL 16 23.242 12.266 26.851
673 HG22 VAL 16 HG22 VAL 16 24.716 11.560 26.171
674 HG23 VAL 16 HG23 VAL 16 24.469 13.323 26.154
675 H GLU 17 H GLU 17 24.188 10.135 22.288
676 HA GLU 17 HA GLU 17 22.419 11.091 20.104
677 HB2 GLU 17 HB2 GLU 17 24.922 9.397 19.756
678 HB3 GLU 17 HB3 GLU 17 23.704 9.707 18.504
679 HG2 GLU 17 HG2 GLU 17 24.147 12.131 18.673
680 HG3 GLU 17 HG3 GLU 17 25.456 11.805 19.823
681 H ILE 18 H ILE 18 21.029 9.549 19.225
682 HA ILE 18 HA ILE 18 21.010 6.821 20.415
683 HB ILE 18 HB ILE 18 18.471 8.425 19.927
684 HG12 ILE 18 HG12 ILE 18 18.413 7.854 22.612
685 HG13 ILE 18 HG13 ILE 18 20.132 8.116 22.410
686 HG21 ILE 18 HG21 ILE 18 18.915 5.698 21.214
687 HG22 ILE 18 HG22 ILE 18 17.357 6.544 21.027
688 HG23 ILE 18 HG23 ILE 18 18.224 5.990 19.599
689 HD11 ILE 18 HD11 ILE 18 19.523 10.367 21.320
690 HD12 ILE 18 HD12 ILE 18 17.836 10.018 21.746
691 HD13 ILE 18 HD13 ILE 18 19.054 10.220 23.019
692 H GLY 19 H GLY 19 21.257 5.398 18.838
693 HA2 GLY 19 HA2 GLY 19 20.532 6.012 16.011
694 HA3 GLY 19 HA3 GLY 19 21.564 4.695 16.569
695 H ASP 20 H ASP 20 19.689 4.081 14.758
696 HA ASP 20 HA ASP 20 17.892 2.794 14.228
697 HB2 ASP 20 HB2 ASP 20 18.455 1.387 16.855
698 HB3 ASP 20 HB3 ASP 20 17.645 0.734 15.434
699 H VAL 21 H VAL 21 17.030 5.152 15.104
700 HA VAL 21 HA VAL 21 14.948 4.934 17.136
701 HB VAL 21 HB VAL 21 15.830 7.188 15.312
702 HG11 VAL 21 HG11 VAL 21 14.470 8.647 16.808
703 HG12 VAL 21 HG12 VAL 21 13.495 7.589 15.800
704 HG13 VAL 21 HG13 VAL 21 13.733 7.185 17.510
705 HG21 VAL 21 HG21 VAL 21 17.432 6.549 17.084
706 HG22 VAL 21 HG22 VAL 21 16.705 8.116 17.443
707 HG23 VAL 21 HG23 VAL 21 16.154 6.666 18.302
708 H LEU 22 H LEU 22 12.968 4.298 16.862
709 HA LEU 22 HA LEU 22 11.717 4.022 14.191
710 HB2 LEU 22 HB2 LEU 22 10.795 3.344 17.016
711 HB3 LEU 22 HB3 LEU 22 9.822 3.084 15.577
712 HG LEU 22 HG LEU 22 12.492 1.700 16.140
713 HD11 LEU 22 HD11 LEU 22 10.706 0.947 17.650
714 HD12 LEU 22 HD12 LEU 22 9.593 0.753 16.278
715 HD13 LEU 22 HD13 LEU 22 11.016 -0.296 16.418
716 HD21 LEU 22 HD21 LEU 22 11.992 1.924 13.689
717 HD22 LEU 22 HD22 LEU 22 11.899 0.252 14.240
718 HD23 LEU 22 HD23 LEU 22 10.404 1.166 13.964
719 H GLU 23 H GLU 23 11.499 6.152 17.060
720 HA GLU 23 HA GLU 23 9.626 7.905 15.632
721 HB2 GLU 23 HB2 GLU 23 8.277 6.002 16.740
722 HB3 GLU 23 HB3 GLU 23 8.764 6.705 18.279
723 HG2 GLU 23 HG2 GLU 23 7.687 8.883 17.514
724 HG3 GLU 23 HG3 GLU 23 7.053 8.003 16.136
725 H VAL 24 H VAL 24 9.441 9.981 16.527
726 HA VAL 24 HA VAL 24 10.782 10.565 19.116
727 HB VAL 24 HB VAL 24 11.164 12.293 16.644
728 HG11 VAL 24 HG11 VAL 24 12.751 13.561 18.046
729 HG12 VAL 24 HG12 VAL 24 11.142 13.616 18.755
730 HG13 VAL 24 HG13 VAL 24 12.365 12.535 19.438
731 HG21 VAL 24 HG21 VAL 24 13.589 11.675 16.932
732 HG22 VAL 24 HG22 VAL 24 13.094 10.447 18.103
733 HG23 VAL 24 HG23 VAL 24 12.567 10.327 16.413
734 H ARG 25 H ARG 25 9.730 12.076 20.351
735 HA ARG 25 HA ARG 25 7.248 13.398 19.291
736 HB2 ARG 25 HB2 ARG 25 7.425 12.061 22.010
737 HB3 ARG 25 HB3 ARG 25 6.007 12.763 21.243
738 HG2 ARG 25 HG2 ARG 25 5.997 10.920 19.578
739 HG3 ARG 25 HG3 ARG 25 7.469 10.255 20.317
740 HD2 ARG 25 HD2 ARG 25 6.195 10.109 22.515
741 HD3 ARG 25 HD3 ARG 25 4.720 10.432 21.597
742 HE ARG 25 HE ARG 25 5.408 8.434 20.147
743 HH11 ARG 25 HH11 ARG 25 6.237 8.417 23.611
744 HH12 ARG 25 HH12 ARG 25 6.594 6.691 23.516
745 HH21 ARG 25 HH21 ARG 25 5.981 6.286 20.243
746 HH22 ARG 25 HH22 ARG 25 6.487 5.618 21.798
747 H ALA 26 H ALA 26 6.993 15.515 20.015
748 HA ALA 26 HA ALA 26 8.952 16.512 22.045
749 HB1 ALA 26 HB1 ALA 26 7.757 17.943 19.646
750 HB2 ALA 26 HB2 ALA 26 8.866 18.647 20.852
751 HB3 ALA 26 HB3 ALA 26 9.419 17.333 19.795
752 H GLU 27 H GLU 27 8.274 17.570 23.728
753 HA GLU 27 HA GLU 27 5.589 18.764 23.914
754 HB2 GLU 27 HB2 GLU 27 5.694 16.259 24.783
755 HB3 GLU 27 HB3 GLU 27 6.564 16.986 26.149
756 HG2 GLU 27 HG2 GLU 27 4.588 18.522 26.482
757 HG3 GLU 27 HG3 GLU 27 3.777 17.682 25.145
758 H GLY 28 H GLY 28 5.496 20.390 25.674
759 HA2 GLY 28 HA2 GLY 28 7.834 21.964 25.946
760 HA3 GLY 28 HA3 GLY 28 6.368 22.114 26.922
761 H GLY 29 H GLY 29 6.704 19.318 27.984
762 HA2 GLY 29 HA2 GLY 29 8.497 19.818 30.236
763 HA3 GLY 29 HA3 GLY 29 7.579 18.354 29.897
764 H ALA 30 H ALA 30 8.521 17.455 27.494
765 HA ALA 30 HA ALA 30 11.421 17.239 27.501
766 HB1 ALA 30 HB1 ALA 30 9.681 14.908 28.457
767 HB2 ALA 30 HB2 ALA 30 11.431 14.823 28.141
768 HB3 ALA 30 HB3 ALA 30 10.810 15.821 29.473
769 H VAL 31 H VAL 31 12.260 16.165 25.727
770 HA VAL 31 HA VAL 31 10.401 15.291 23.563
771 HB VAL 31 HB VAL 31 13.410 15.610 23.645
772 HG11 VAL 31 HG11 VAL 31 13.303 15.080 21.179
773 HG12 VAL 31 HG12 VAL 31 13.007 13.683 22.209
774 HG13 VAL 31 HG13 VAL 31 11.658 14.503 21.392
775 HG21 VAL 31 HG21 VAL 31 11.290 16.967 21.929
776 HG22 VAL 31 HG22 VAL 31 11.999 17.670 23.398
777 HG23 VAL 31 HG23 VAL 31 13.021 17.351 21.989
778 H ARG 32 H ARG 32 10.104 13.188 23.038
779 HA ARG 32 HA ARG 32 11.521 11.076 24.637
780 HB2 ARG 32 HB2 ARG 32 8.641 11.164 23.684
781 HB3 ARG 32 HB3 ARG 32 9.456 9.664 24.103
782 HG2 ARG 32 HG2 ARG 32 8.131 10.363 25.940
783 HG3 ARG 32 HG3 ARG 32 9.835 10.484 26.401
784 HD2 ARG 32 HD2 ARG 32 9.780 12.857 26.391
785 HD3 ARG 32 HD3 ARG 32 8.309 12.902 25.402
786 HE ARG 32 HE ARG 32 8.040 11.627 28.045
787 HH11 ARG 32 HH11 ARG 32 7.719 14.725 26.386
788 HH12 ARG 32 HH12 ARG 32 6.291 15.127 27.346
789 HH21 ARG 32 HH21 ARG 32 6.312 12.364 29.271
790 HH22 ARG 32 HH22 ARG 32 5.624 13.939 28.917
791 H VAL 33 H VAL 33 12.056 9.173 23.592
792 HA VAL 33 HA VAL 33 11.972 9.117 20.600
793 HB VAL 33 HB VAL 33 14.477 8.567 22.214
794 HG11 VAL 33 HG11 VAL 33 14.065 8.690 19.236
795 HG12 VAL 33 HG12 VAL 33 15.632 8.528 20.050
796 HG13 VAL 33 HG13 VAL 33 14.441 7.238 20.187
797 HG21 VAL 33 HG21 VAL 33 15.446 10.581 21.174
798 HG22 VAL 33 HG22 VAL 33 13.872 10.979 20.464
799 HG23 VAL 33 HG23 VAL 33 14.094 10.996 22.227
800 H THR 34 H THR 34 11.761 7.056 19.733
801 HA THR 34 HA THR 34 11.622 4.740 21.654
802 HB THR 34 HB THR 34 10.018 5.118 19.103
803 HG1 THR 34 HG1 THR 34 9.390 6.517 20.790
804 HG21 THR 34 HG21 THR 34 8.657 3.253 19.995
805 HG22 THR 34 HG22 THR 34 10.304 2.746 19.618
806 HG23 THR 34 HG23 THR 34 9.832 3.035 21.313
807 H THR 35 H THR 35 12.706 2.892 21.125
808 HA THR 35 HA THR 35 14.111 2.737 18.484
809 HB THR 35 HB THR 35 16.043 1.712 19.718
810 HG1 THR 35 HG1 THR 35 14.989 1.352 21.704
811 HG21 THR 35 HG21 THR 35 16.153 4.037 18.921
812 HG22 THR 35 HG22 THR 35 15.413 4.596 20.440
813 HG23 THR 35 HG23 THR 35 17.009 3.821 20.457
814 H LEU 36 H LEU 36 14.706 0.657 17.734
815 HA LEU 36 HA LEU 36 12.521 -1.103 17.882
816 HB2 LEU 36 HB2 LEU 36 13.809 -2.569 16.383
817 HB3 LEU 36 HB3 LEU 36 13.654 -0.907 15.861
818 HG LEU 36 HG LEU 36 15.932 -0.413 16.266
819 HD11 LEU 36 HD11 LEU 36 16.483 -1.535 18.344
820 HD12 LEU 36 HD12 LEU 36 16.235 -3.128 17.595
821 HD13 LEU 36 HD13 LEU 36 17.589 -2.092 17.100
822 HD21 LEU 36 HD21 LEU 36 17.025 -1.995 14.751
823 HD22 LEU 36 HD22 LEU 36 15.805 -3.230 15.117
824 HD23 LEU 36 HD23 LEU 36 15.341 -1.770 14.226
825 H PHE 37 H PHE 37 14.883 -1.042 20.221
826 HA PHE 37 HA PHE 37 14.746 -3.851 21.010
827 HB2 PHE 37 HB2 PHE 37 15.551 -1.436 22.655
828 HB3 PHE 37 HB3 PHE 37 15.927 -3.127 22.984
829 HD1 PHE 37 HD1 PHE 37 17.200 -0.110 21.588
830 HD2 PHE 37 HD2 PHE 37 17.248 -4.389 21.016
831 HE1 PHE 37 HE1 PHE 37 19.291 0.085 20.267
832 HE2 PHE 37 HE2 PHE 37 19.333 -4.178 19.683
833 HZ PHE 37 HZ PHE 37 20.366 -1.943 19.314
834 H ASP 38 H ASP 38 12.324 -1.729 20.784
835 HA ASP 38 HA ASP 38 10.424 -1.153 21.739
836 HB2 ASP 38 HB2 ASP 38 10.579 -3.626 23.482
837 HB3 ASP 38 HB3 ASP 38 9.163 -2.633 23.177
838 H GLU 39 H GLU 39 12.948 -0.164 22.749
839 HA GLU 39 HA GLU 39 12.317 0.589 25.560
840 HB2 GLU 39 HB2 GLU 39 14.778 0.886 23.813
841 HB3 GLU 39 HB3 GLU 39 14.586 1.824 25.290
842 HG2 GLU 39 HG2 GLU 39 14.584 -1.200 25.083
843 HG3 GLU 39 HG3 GLU 39 15.926 -0.205 25.639
844 H GLU 40 H GLU 40 12.324 2.714 26.207
845 HA GLU 40 HA GLU 40 11.854 4.819 24.174
846 HB2 GLU 40 HB2 GLU 40 9.956 4.184 26.446
847 HB3 GLU 40 HB3 GLU 40 10.031 5.768 25.645
848 HG2 GLU 40 HG2 GLU 40 9.605 4.673 23.460
849 HG3 GLU 40 HG3 GLU 40 9.429 3.121 24.274
850 H HIS 41 H HIS 41 12.743 6.645 24.583
851 HA HIS 41 HA HIS 41 14.323 7.049 27.095
852 HB2 HIS 41 HB2 HIS 41 14.937 8.236 24.387
853 HB3 HIS 41 HB3 HIS 41 15.994 8.095 25.790
854 HD2 HIS 41 HD2 HIS 41 14.805 6.197 22.705
855 HE1 HIS 41 HE1 HIS 41 17.424 3.508 24.722
856 HE2 HIS 41 HE2 HIS 41 16.016 3.845 22.630
857 H ALA 42 H ALA 42 14.508 9.273 27.857
858 HA ALA 42 HA ALA 42 12.648 11.264 26.691
859 HB1 ALA 42 HB1 ALA 42 12.442 10.326 29.581
860 HB2 ALA 42 HB2 ALA 42 11.542 11.672 28.853
861 HB3 ALA 42 HB3 ALA 42 11.259 10.016 28.295
862 H PHE 43 H PHE 43 13.291 13.291 26.865
863 HA PHE 43 HA PHE 43 15.726 13.998 28.469
864 HB2 PHE 43 HB2 PHE 43 15.220 14.606 25.550
865 HB3 PHE 43 HB3 PHE 43 16.651 15.016 26.499
866 HD1 PHE 43 HD1 PHE 43 18.049 13.070 27.505
867 HD2 PHE 43 HD2 PHE 43 15.086 12.536 24.412
868 HE1 PHE 43 HE1 PHE 43 19.047 10.880 26.932
869 HE2 PHE 43 HE2 PHE 43 16.100 10.334 23.839
870 HZ PHE 43 HZ PHE 43 18.076 9.503 25.110
871 HA PRO 44 HA PRO 44 12.593 17.149 29.404
872 HB2 PRO 44 HB2 PRO 44 14.591 17.699 31.587
873 HB3 PRO 44 HB3 PRO 44 12.805 17.672 31.677
874 HG2 PRO 44 HG2 PRO 44 14.222 15.553 32.550
875 HG3 PRO 44 HG3 PRO 44 12.761 15.277 31.537
876 HD2 PRO 44 HD2 PRO 44 15.680 15.306 30.676
877 HD3 PRO 44 HD3 PRO 44 14.400 14.110 30.289
878 H GLY 45 H GLY 45 12.419 19.365 29.160
879 HA2 GLY 45 HA2 GLY 45 12.965 21.550 28.675
880 HA3 GLY 45 HA3 GLY 45 14.618 21.209 29.197
881 H LEU 46 H LEU 46 13.335 19.323 26.545
882 HA LEU 46 HA LEU 46 14.889 20.925 24.554
883 HB2 LEU 46 HB2 LEU 46 14.348 17.932 24.573
884 HB3 LEU 46 HB3 LEU 46 15.206 18.825 23.322
885 HG LEU 46 HG LEU 46 16.141 18.385 26.184
886 HD11 LEU 46 HD11 LEU 46 16.268 16.457 24.563
887 HD12 LEU 46 HD12 LEU 46 17.299 17.457 23.526
888 HD13 LEU 46 HD13 LEU 46 17.840 17.013 25.158
889 HD21 LEU 46 HD21 LEU 46 16.979 20.570 25.476
890 HD22 LEU 46 HD22 LEU 46 18.296 19.398 25.398
891 HD23 LEU 46 HD23 LEU 46 17.480 19.910 23.900
892 H ALA 47 H ALA 47 14.204 20.773 22.361
893 HA ALA 47 HA ALA 47 11.550 19.721 21.666
894 HB1 ALA 47 HB1 ALA 47 12.352 22.623 21.157
895 HB2 ALA 47 HB2 ALA 47 10.913 21.810 20.487
896 HB3 ALA 47 HB3 ALA 47 11.050 22.067 22.239
897 H ILE 48 H ILE 48 11.362 19.503 19.255
898 HA ILE 48 HA ILE 48 13.903 18.705 18.041
899 HB ILE 48 HB ILE 48 11.107 18.860 16.869
900 HG12 ILE 48 HG12 ILE 48 12.611 16.313 17.573
901 HG13 ILE 48 HG13 ILE 48 11.611 17.146 18.769
902 HG21 ILE 48 HG21 ILE 48 12.085 17.367 15.063
903 HG22 ILE 48 HG22 ILE 48 12.729 19.005 15.047
904 HG23 ILE 48 HG23 ILE 48 13.693 17.686 15.740
905 HD11 ILE 48 HD11 ILE 48 9.644 16.976 17.228
906 HD12 ILE 48 HD12 ILE 48 10.641 15.975 16.138
907 HD13 ILE 48 HD13 ILE 48 10.272 15.427 17.783
908 H GLY 49 H GLY 49 15.266 20.038 17.043
909 HA2 GLY 49 HA2 GLY 49 14.542 22.821 16.351
910 HA3 GLY 49 HA3 GLY 49 16.140 22.079 16.356
911 H ARG 50 H ARG 50 15.690 19.867 14.700
912 HA ARG 50 HA ARG 50 14.532 20.617 12.135
913 HB2 ARG 50 HB2 ARG 50 16.655 20.632 10.855
914 HB3 ARG 50 HB3 ARG 50 16.508 22.003 11.947
915 HG2 ARG 50 HG2 ARG 50 17.998 20.946 13.568
916 HG3 ARG 50 HG3 ARG 50 18.171 19.512 12.517
917 HD2 ARG 50 HD2 ARG 50 19.344 20.790 10.849
918 HD3 ARG 50 HD3 ARG 50 18.916 22.310 11.618
919 HE ARG 50 HE ARG 50 20.474 21.965 13.344
920 HH11 ARG 50 HH11 ARG 50 20.774 19.296 11.026
921 HH12 ARG 50 HH12 ARG 50 22.214 18.718 11.826
922 HH21 ARG 50 HH21 ARG 50 22.296 21.144 14.236
923 HH22 ARG 50 HH22 ARG 50 23.087 19.767 13.533
924 H VAL 51 H VAL 51 14.685 19.049 10.524
925 HA VAL 51 HA VAL 51 15.777 16.387 11.271
926 HB VAL 51 HB VAL 51 13.013 16.623 10.053
927 HG11 VAL 51 HG11 VAL 51 14.127 14.632 9.330
928 HG12 VAL 51 HG12 VAL 51 14.681 14.279 10.970
929 HG13 VAL 51 HG13 VAL 51 12.953 14.181 10.572
930 HG21 VAL 51 HG21 VAL 51 12.771 17.333 12.344
931 HG22 VAL 51 HG22 VAL 51 12.166 15.690 12.184
932 HG23 VAL 51 HG23 VAL 51 13.764 15.984 12.921
933 H ASP 52 H ASP 52 17.224 15.958 9.816
934 HA ASP 52 HA ASP 52 17.075 17.286 7.140
935 HB2 ASP 52 HB2 ASP 52 19.494 16.328 8.696
936 HB3 ASP 52 HB3 ASP 52 19.501 17.232 7.185
937 H LEU 53 H LEU 53 15.911 15.659 5.994
938 HA LEU 53 HA LEU 53 16.601 12.876 6.131
939 HB2 LEU 53 HB2 LEU 53 15.022 14.308 3.967
940 HB3 LEU 53 HB3 LEU 53 15.111 12.592 4.232
941 HG LEU 53 HG LEU 53 13.047 13.222 5.031
942 HD11 LEU 53 HD11 LEU 53 14.765 12.999 7.531
943 HD12 LEU 53 HD12 LEU 53 13.039 12.628 7.398
944 HD13 LEU 53 HD13 LEU 53 14.225 11.649 6.515
945 HD21 LEU 53 HD21 LEU 53 12.483 14.931 6.610
946 HD22 LEU 53 HD22 LEU 53 14.161 15.379 6.857
947 HD23 LEU 53 HD23 LEU 53 13.377 15.664 5.284
948 H ARG 54 H ARG 54 18.072 15.444 4.444
949 HA ARG 54 HA ARG 54 19.561 14.060 2.394
950 HB2 ARG 54 HB2 ARG 54 20.327 16.458 4.127
951 HB3 ARG 54 HB3 ARG 54 21.151 15.941 2.647
952 HG2 ARG 54 HG2 ARG 54 19.027 16.298 1.368
953 HG3 ARG 54 HG3 ARG 54 18.276 16.963 2.824
954 HD2 ARG 54 HD2 ARG 54 20.759 18.041 1.434
955 HD3 ARG 54 HD3 ARG 54 19.134 18.712 1.274
956 HE ARG 54 HE ARG 54 19.260 19.040 3.849
957 HH11 ARG 54 HH11 ARG 54 22.082 19.500 1.787
958 HH12 ARG 54 HH12 ARG 54 22.791 20.620 2.912
959 HH21 ARG 54 HH21 ARG 54 20.148 20.371 5.140
960 HH22 ARG 54 HH22 ARG 54 21.731 21.109 4.829
961 H SER 55 H SER 55 19.857 13.966 5.858
962 HA SER 55 HA SER 55 22.390 12.378 5.654
963 HB2 SER 55 HB2 SER 55 22.754 14.740 6.334
964 HB3 SER 55 HB3 SER 55 21.701 14.486 7.735
965 HG SER 55 HG SER 55 24.014 14.257 8.124
966 H GLY 56 H GLY 56 19.219 12.649 7.113
967 HA2 GLY 56 HA2 GLY 56 18.002 10.993 8.204
968 HA3 GLY 56 HA3 GLY 56 19.443 9.984 8.361
969 H VAL 57 H VAL 57 19.422 13.369 9.377
970 HA VAL 57 HA VAL 57 19.825 12.508 12.218
971 HB VAL 57 HB VAL 57 20.825 14.962 10.756
972 HG11 VAL 57 HG11 VAL 57 21.149 14.134 13.676
973 HG12 VAL 57 HG12 VAL 57 22.101 15.402 12.869
974 HG13 VAL 57 HG13 VAL 57 20.361 15.609 13.063
975 HG21 VAL 57 HG21 VAL 57 22.258 12.552 11.957
976 HG22 VAL 57 HG22 VAL 57 22.073 12.898 10.223
977 HG23 VAL 57 HG23 VAL 57 23.052 13.976 11.227
978 H ILE 58 H ILE 58 18.445 13.007 13.691
979 HA ILE 58 HA ILE 58 16.535 15.297 13.418
980 HB ILE 58 HB ILE 58 16.517 12.793 15.148
981 HG12 ILE 58 HG12 ILE 58 14.455 13.834 13.155
982 HG13 ILE 58 HG13 ILE 58 15.696 12.648 12.746
983 HG21 ILE 58 HG21 ILE 58 14.702 15.245 15.338
984 HG22 ILE 58 HG22 ILE 58 14.375 13.688 16.120
985 HG23 ILE 58 HG23 ILE 58 15.792 14.601 16.600
986 HD11 ILE 58 HD11 ILE 58 13.717 11.447 13.118
987 HD12 ILE 58 HD12 ILE 58 14.745 11.131 14.523
988 HD13 ILE 58 HD13 ILE 58 13.368 12.273 14.632
989 H SER 59 H SER 59 17.220 17.112 14.388
990 HA SER 59 HA SER 59 19.310 16.910 16.532
991 HB2 SER 59 HB2 SER 59 19.942 18.137 14.456
992 HB3 SER 59 HB3 SER 59 18.594 19.244 14.754
993 HG SER 59 HG SER 59 20.952 18.879 16.296
994 H LEU 60 H LEU 60 18.762 17.422 18.545
995 HA LEU 60 HA LEU 60 16.231 18.900 19.077
996 HB2 LEU 60 HB2 LEU 60 17.908 17.357 21.050
997 HB3 LEU 60 HB3 LEU 60 16.286 18.017 21.285
998 HG LEU 60 HG LEU 60 17.071 15.673 19.489
999 HD11 LEU 60 HD11 LEU 60 15.381 15.850 22.021
1000 HD12 LEU 60 HD12 LEU 60 15.648 14.385 21.042
1001 HD13 LEU 60 HD13 LEU 60 16.994 15.145 21.895
1002 HD21 LEU 60 HD21 LEU 60 14.330 16.952 19.917
1003 HD22 LEU 60 HD22 LEU 60 15.239 16.846 18.388
1004 HD23 LEU 60 HD23 LEU 60 14.621 15.374 19.142
1005 H ILE 61 H ILE 61 16.123 20.668 20.370
1006 HA ILE 61 HA ILE 61 18.626 22.010 21.250
1007 HB ILE 61 HB ILE 61 17.791 24.155 20.376
1008 HG12 ILE 61 HG12 ILE 61 16.197 23.957 18.323
1009 HG13 ILE 61 HG13 ILE 61 15.582 22.499 19.091
1010 HG21 ILE 61 HG21 ILE 61 19.476 22.791 19.175
1011 HG22 ILE 61 HG22 ILE 61 18.184 22.083 18.181
1012 HG23 ILE 61 HG23 ILE 61 18.525 23.818 18.093
1013 HD11 ILE 61 HD11 ILE 61 14.830 23.844 21.034
1014 HD12 ILE 61 HD12 ILE 61 15.644 25.284 20.352
1015 HD13 ILE 61 HD13 ILE 61 14.244 24.559 19.537
1016 H GLU 62 H GLU 62 18.313 23.636 22.900
1017 HA GLU 62 HA GLU 62 16.426 22.785 24.899
1018 HB2 GLU 62 HB2 GLU 62 18.129 25.314 24.892
1019 HB3 GLU 62 HB3 GLU 62 17.324 24.559 26.254
1020 HG2 GLU 62 HG2 GLU 62 19.379 23.730 26.624
1021 HG3 GLU 62 HG3 GLU 62 18.796 22.438 25.590
1022 H GLU 63 H GLU 63 14.411 23.468 25.420
1023 HA GLU 63 HA GLU 63 13.168 25.545 23.727
1024 HB2 GLU 63 HB2 GLU 63 11.047 24.796 24.570
1025 HB3 GLU 63 HB3 GLU 63 12.029 23.467 24.006
1026 HG2 GLU 63 HG2 GLU 63 11.046 22.610 25.917
1027 HG3 GLU 63 HG3 GLU 63 12.660 23.036 26.452
1028 H GLN 64 H GLN 64 14.650 25.552 26.787
1029 HA GLN 64 HA GLN 64 13.905 28.411 27.094
1030 HB2 GLN 64 HB2 GLN 64 13.907 26.343 29.307
1031 HB3 GLN 64 HB3 GLN 64 14.156 28.057 29.630
1032 HG2 GLN 64 HG2 GLN 64 12.002 28.669 28.758
1033 HG3 GLN 64 HG3 GLN 64 11.696 27.029 28.175
1034 HE21 GLN 64 HE21 GLN 64 11.354 25.290 29.772
1035 HE22 GLN 64 HE22 GLN 64 10.785 25.736 31.396
1036 H ASN 65 H ASN 65 15.558 29.750 27.614
1037 HA ASN 65 HA ASN 65 18.293 28.701 27.349
1038 HB2 ASN 65 HB2 ASN 65 17.191 31.551 27.355
1039 HB3 ASN 65 HB3 ASN 65 18.851 31.100 27.005
1040 HD21 ASN 65 HD21 ASN 65 19.308 29.908 25.023
1041 HD22 ASN 65 HD22 ASN 65 18.144 29.968 23.701
1042 H ARG 66 H ARG 66 16.486 28.888 29.973
1043 HA ARG 66 HA ARG 66 17.820 30.545 31.879
1044 HB2 ARG 66 HB2 ARG 66 16.021 28.103 32.176
1045 HB3 ARG 66 HB3 ARG 66 16.524 29.128 33.529
1046 HG2 ARG 66 HG2 ARG 66 15.317 31.033 32.688
1047 HG3 ARG 66 HG3 ARG 66 15.076 30.287 31.107
1048 HD2 ARG 66 HD2 ARG 66 13.001 30.166 32.272
1049 HD3 ARG 66 HD3 ARG 66 13.671 28.535 32.118
1050 HE ARG 66 HE ARG 66 14.429 29.706 34.635
1051 HH11 ARG 66 HH11 ARG 66 11.631 28.303 33.046
1052 HH12 ARG 66 HH12 ARG 66 10.898 27.825 34.572
1053 HH21 ARG 66 HH21 ARG 66 13.469 29.026 36.524
1054 HH22 ARG 66 HH22 ARG 66 11.922 28.222 36.478
Start of MODEL 11
1 H1 GLY -3 H1 GLY -3 23.889 0.811 0.141
2 H2 GLY -3 H2 GLY -3 22.296 1.143 0.308
3 H3 GLY -3 H3 GLY -3 23.411 2.146 0.964
4 HA2 GLY -3 HA2 GLY -3 24.231 2.787 -1.193
5 HA3 GLY -3 HA3 GLY -3 23.046 1.677 -1.920
6 HA PRO -2 HA PRO -2 21.263 6.005 -1.510
7 HB2 PRO -2 HB2 PRO -2 20.551 6.410 -4.142
8 HB3 PRO -2 HB3 PRO -2 22.178 6.750 -3.487
9 HG2 PRO -2 HG2 PRO -2 21.242 4.267 -4.949
10 HG3 PRO -2 HG3 PRO -2 22.716 5.241 -5.251
11 HD2 PRO -2 HD2 PRO -2 22.819 2.972 -3.764
12 HD3 PRO -2 HD3 PRO -2 23.794 4.403 -3.326
13 H GLY -1 H GLY -1 20.033 3.088 -3.132
14 HA2 GLY -1 HA2 GLY -1 17.211 3.751 -2.952
15 HA3 GLY -1 HA3 GLY -1 17.923 2.167 -3.270
16 H SER 0 H SER 0 19.475 2.728 -0.534
17 HA SER 0 HA SER 0 17.697 1.144 1.110
18 HB2 SER 0 HB2 SER 0 20.278 2.533 1.905
19 HB3 SER 0 HB3 SER 0 19.519 1.155 2.705
20 HG SER 0 HG SER 0 19.947 -0.111 0.894
21 H MET 1 H MET 1 17.558 4.409 0.539
22 HA MET 1 HA MET 1 16.086 4.939 3.041
23 HB2 MET 1 HB2 MET 1 17.183 7.053 3.442
24 HB3 MET 1 HB3 MET 1 18.355 5.750 3.464
25 HG2 MET 1 HG2 MET 1 19.419 7.502 2.343
26 HG3 MET 1 HG3 MET 1 19.007 6.333 1.090
27 HE1 MET 1 HE1 MET 1 16.743 9.246 2.796
28 HE2 MET 1 HE2 MET 1 18.396 9.887 2.625
29 HE3 MET 1 HE3 MET 1 17.072 10.532 1.631
30 H CYS 2 H CYS 2 14.858 7.018 2.890
31 HA CYS 2 HA CYS 2 14.179 8.037 0.251
32 HB2 CYS 2 HB2 CYS 2 12.848 5.916 0.416
33 HB3 CYS 2 HB3 CYS 2 12.067 6.553 1.879
34 HG CYS 2 HG CYS 2 10.858 8.527 0.827
35 H MET 3 H MET 3 12.905 9.941 0.352
36 HA MET 3 HA MET 3 13.229 11.651 2.637
37 HB2 MET 3 HB2 MET 3 11.536 11.823 0.102
38 HB3 MET 3 HB3 MET 3 11.541 13.072 1.335
39 HG2 MET 3 HG2 MET 3 13.101 13.877 -0.161
40 HG3 MET 3 HG3 MET 3 14.093 13.155 1.095
41 HE1 MET 3 HE1 MET 3 12.164 11.679 -2.138
42 HE2 MET 3 HE2 MET 3 12.928 13.224 -2.557
43 HE3 MET 3 HE3 MET 3 13.532 11.719 -3.268
44 H ALA 4 H ALA 4 11.691 12.616 3.948
45 HA ALA 4 HA ALA 4 9.423 10.967 4.862
46 HB1 ALA 4 HB1 ALA 4 10.970 11.994 6.484
47 HB2 ALA 4 HB2 ALA 4 10.600 13.612 5.837
48 HB3 ALA 4 HB3 ALA 4 9.359 12.671 6.677
49 H LYS 5 H LYS 5 7.423 12.325 5.496
50 HA LYS 5 HA LYS 5 6.888 14.602 3.665
51 HB2 LYS 5 HB2 LYS 5 4.583 14.052 3.366
52 HB3 LYS 5 HB3 LYS 5 5.565 12.688 2.826
53 HG2 LYS 5 HG2 LYS 5 4.996 11.425 4.856
54 HG3 LYS 5 HG3 LYS 5 4.147 12.832 5.526
55 HD2 LYS 5 HD2 LYS 5 2.567 12.801 3.604
56 HD3 LYS 5 HD3 LYS 5 3.363 11.341 2.985
57 HE2 LYS 5 HE2 LYS 5 2.731 10.094 4.981
58 HE3 LYS 5 HE3 LYS 5 2.120 11.564 5.762
59 HZ1 LYS 5 HZ1 LYS 5 0.976 10.366 3.298
60 HZ2 LYS 5 HZ2 LYS 5 0.315 10.259 4.788
61 HZ3 LYS 5 HZ3 LYS 5 0.424 11.718 4.038
62 H VAL 6 H VAL 6 5.673 16.280 4.505
63 HA VAL 6 HA VAL 6 5.522 16.431 7.496
64 HB VAL 6 HB VAL 6 5.758 18.573 5.377
65 HG11 VAL 6 HG11 VAL 6 5.781 20.231 7.205
66 HG12 VAL 6 HG12 VAL 6 4.203 19.486 7.027
67 HG13 VAL 6 HG13 VAL 6 5.284 18.970 8.353
68 HG21 VAL 6 HG21 VAL 6 7.811 19.140 6.512
69 HG22 VAL 6 HG22 VAL 6 7.477 17.959 7.792
70 HG23 VAL 6 HG23 VAL 6 7.854 17.407 6.151
71 H VAL 7 H VAL 7 3.597 16.930 8.521
72 HA VAL 7 HA VAL 7 1.214 17.586 6.890
73 HB VAL 7 HB VAL 7 1.100 15.188 7.226
74 HG11 VAL 7 HG11 VAL 7 1.047 15.738 10.218
75 HG12 VAL 7 HG12 VAL 7 0.788 14.172 9.420
76 HG13 VAL 7 HG13 VAL 7 2.369 14.957 9.329
77 HG21 VAL 7 HG21 VAL 7 -0.971 16.563 8.996
78 HG22 VAL 7 HG22 VAL 7 -1.005 16.570 7.222
79 HG23 VAL 7 HG23 VAL 7 -1.143 15.040 8.118
80 H LEU 8 H LEU 8 -0.193 18.978 7.750
81 HA LEU 8 HA LEU 8 0.032 19.879 10.558
82 HB2 LEU 8 HB2 LEU 8 0.243 22.205 9.943
83 HB3 LEU 8 HB3 LEU 8 1.634 21.296 9.407
84 HG LEU 8 HG LEU 8 -0.582 21.729 7.403
85 HD11 LEU 8 HD11 LEU 8 0.248 23.924 6.786
86 HD12 LEU 8 HD12 LEU 8 -0.381 23.939 8.439
87 HD13 LEU 8 HD13 LEU 8 1.377 23.915 8.162
88 HD21 LEU 8 HD21 LEU 8 1.317 21.998 5.842
89 HD22 LEU 8 HD22 LEU 8 2.457 21.884 7.191
90 HD23 LEU 8 HD23 LEU 8 1.475 20.483 6.734
91 H THR 9 H THR 9 -1.755 21.183 11.269
92 HA THR 9 HA THR 9 -4.276 20.715 9.717
93 HB THR 9 HB THR 9 -4.082 20.944 12.724
94 HG1 THR 9 HG1 THR 9 -3.007 19.105 12.084
95 HG21 THR 9 HG21 THR 9 -6.329 21.378 11.769
96 HG22 THR 9 HG22 THR 9 -6.241 19.849 10.870
97 HG23 THR 9 HG23 THR 9 -6.295 19.841 12.641
98 H LYS 10 H LYS 10 -5.597 22.327 9.310
99 HA LYS 10 HA LYS 10 -4.732 25.107 9.814
100 HB2 LYS 10 HB2 LYS 10 -6.874 23.876 8.035
101 HB3 LYS 10 HB3 LYS 10 -6.519 25.618 8.116
102 HG2 LYS 10 HG2 LYS 10 -4.141 25.081 7.473
103 HG3 LYS 10 HG3 LYS 10 -4.632 23.418 7.182
104 HD2 LYS 10 HD2 LYS 10 -5.800 25.857 5.746
105 HD3 LYS 10 HD3 LYS 10 -4.491 24.851 5.153
106 HE2 LYS 10 HE2 LYS 10 -6.144 23.803 4.041
107 HE3 LYS 10 HE3 LYS 10 -6.218 22.855 5.524
108 HZ1 LYS 10 HZ1 LYS 10 -8.421 23.644 4.763
109 HZ2 LYS 10 HZ2 LYS 10 -8.121 24.287 6.229
110 HZ3 LYS 10 HZ3 LYS 10 -7.965 25.189 4.887
111 H ALA 11 H ALA 11 -6.296 26.767 10.337
112 HA ALA 11 HA ALA 11 -7.644 26.301 12.786
113 HB1 ALA 11 HB1 ALA 11 -6.620 28.443 12.115
114 HB2 ALA 11 HB2 ALA 11 -7.848 28.640 10.837
115 HB3 ALA 11 HB3 ALA 11 -8.330 28.665 12.540
116 H ASP 12 H ASP 12 -8.905 26.091 9.486
117 HA ASP 12 HA ASP 12 -11.712 26.036 10.336
118 HB2 ASP 12 HB2 ASP 12 -12.210 25.719 8.011
119 HB3 ASP 12 HB3 ASP 12 -11.075 27.042 8.200
120 H GLY 13 H GLY 13 -9.317 23.818 10.761
121 HA2 GLY 13 HA2 GLY 13 -9.500 21.647 11.574
122 HA3 GLY 13 HA3 GLY 13 -11.172 21.547 11.009
123 H GLY 14 H GLY 14 -9.386 22.647 8.378
124 HA2 GLY 14 HA2 GLY 14 -9.255 20.011 7.077
125 HA3 GLY 14 HA3 GLY 14 -8.765 21.564 6.388
126 H ARG 15 H ARG 15 -7.183 19.434 5.902
127 HA ARG 15 HA ARG 15 -4.696 20.061 7.443
128 HB2 ARG 15 HB2 ARG 15 -5.782 17.313 6.734
129 HB3 ARG 15 HB3 ARG 15 -4.060 17.607 6.994
130 HG2 ARG 15 HG2 ARG 15 -4.536 18.566 9.212
131 HG3 ARG 15 HG3 ARG 15 -6.267 18.210 9.014
132 HD2 ARG 15 HD2 ARG 15 -5.847 15.846 9.039
133 HD3 ARG 15 HD3 ARG 15 -4.088 16.092 8.880
134 HE ARG 15 HE ARG 15 -4.706 17.481 11.171
135 HH11 ARG 15 HH11 ARG 15 -5.119 14.112 10.306
136 HH12 ARG 15 HH12 ARG 15 -4.943 13.583 11.961
137 HH21 ARG 15 HH21 ARG 15 -4.494 16.775 13.200
138 HH22 ARG 15 HH22 ARG 15 -4.616 15.072 13.574
139 H VAL 16 H VAL 16 -2.771 19.844 6.457
140 HA VAL 16 HA VAL 16 -2.694 19.818 3.474
141 HB VAL 16 HB VAL 16 -1.338 21.847 5.285
142 HG11 VAL 16 HG11 VAL 16 -1.132 21.540 2.264
143 HG12 VAL 16 HG12 VAL 16 -0.508 22.904 3.214
144 HG13 VAL 16 HG13 VAL 16 0.179 21.293 3.449
145 HG21 VAL 16 HG21 VAL 16 -3.506 22.194 3.169
146 HG22 VAL 16 HG22 VAL 16 -3.678 22.417 4.924
147 HG23 VAL 16 HG23 VAL 16 -2.662 23.517 4.003
148 H GLU 17 H GLU 17 -0.940 18.856 2.598
149 HA GLU 17 HA GLU 17 1.126 17.706 4.404
150 HB2 GLU 17 HB2 GLU 17 -0.333 16.203 2.190
151 HB3 GLU 17 HB3 GLU 17 1.086 15.612 3.065
152 HG2 GLU 17 HG2 GLU 17 -0.156 15.639 5.179
153 HG3 GLU 17 HG3 GLU 17 -1.586 16.288 4.372
154 H ILE 18 H ILE 18 3.169 17.504 3.565
155 HA ILE 18 HA ILE 18 3.690 18.421 0.761
156 HB ILE 18 HB ILE 18 5.417 19.136 3.163
157 HG12 ILE 18 HG12 ILE 18 4.689 21.550 2.107
158 HG13 ILE 18 HG13 ILE 18 3.223 20.642 1.759
159 HG21 ILE 18 HG21 ILE 18 5.615 19.947 0.233
160 HG22 ILE 18 HG22 ILE 18 6.688 20.464 1.547
161 HG23 ILE 18 HG23 ILE 18 6.667 18.773 1.049
162 HD11 ILE 18 HD11 ILE 18 3.126 20.042 4.245
163 HD12 ILE 18 HD12 ILE 18 4.536 21.098 4.474
164 HD13 ILE 18 HD13 ILE 18 3.001 21.768 3.889
165 H GLY 19 H GLY 19 4.322 16.658 -0.282
166 HA2 GLY 19 HA2 GLY 19 5.573 14.372 1.078
167 HA3 GLY 19 HA3 GLY 19 5.084 14.468 -0.611
168 H ASP 20 H ASP 20 7.437 13.299 0.193
169 HA ASP 20 HA ASP 20 9.638 13.160 -0.239
170 HB2 ASP 20 HB2 ASP 20 8.817 14.817 -2.621
171 HB3 ASP 20 HB3 ASP 20 10.294 13.860 -2.497
172 H VAL 21 H VAL 21 9.477 14.770 1.738
173 HA VAL 21 HA VAL 21 10.833 17.336 1.399
174 HB VAL 21 HB VAL 21 9.817 15.789 3.793
175 HG11 VAL 21 HG11 VAL 21 10.198 17.856 5.102
176 HG12 VAL 21 HG12 VAL 21 11.690 17.051 4.659
177 HG13 VAL 21 HG13 VAL 21 11.174 18.505 3.766
178 HG21 VAL 21 HG21 VAL 21 8.939 18.388 2.447
179 HG22 VAL 21 HG22 VAL 21 8.127 16.827 2.290
180 HG23 VAL 21 HG23 VAL 21 8.161 17.630 3.850
181 H LEU 22 H LEU 22 12.908 17.752 1.477
182 HA LEU 22 HA LEU 22 14.918 15.688 2.129
183 HB2 LEU 22 HB2 LEU 22 15.165 18.617 1.293
184 HB3 LEU 22 HB3 LEU 22 16.510 17.506 1.521
185 HG LEU 22 HG LEU 22 14.365 17.268 -0.622
186 HD11 LEU 22 HD11 LEU 22 15.968 19.115 -0.999
187 HD12 LEU 22 HD12 LEU 22 17.328 17.999 -0.734
188 HD13 LEU 22 HD13 LEU 22 16.274 17.804 -2.145
189 HD21 LEU 22 HD21 LEU 22 15.800 15.497 -1.572
190 HD22 LEU 22 HD22 LEU 22 16.894 15.604 -0.173
191 HD23 LEU 22 HD23 LEU 22 15.225 15.036 0.033
192 H GLU 23 H GLU 23 13.580 18.724 3.585
193 HA GLU 23 HA GLU 23 14.845 18.022 6.133
194 HB2 GLU 23 HB2 GLU 23 16.705 19.065 4.940
195 HB3 GLU 23 HB3 GLU 23 15.733 20.492 4.603
196 HG2 GLU 23 HG2 GLU 23 15.711 21.112 6.943
197 HG3 GLU 23 HG3 GLU 23 16.325 19.521 7.421
198 H VAL 24 H VAL 24 14.080 19.104 7.896
199 HA VAL 24 HA VAL 24 12.088 21.286 7.562
200 HB VAL 24 HB VAL 24 11.750 18.937 9.451
201 HG11 VAL 24 HG11 VAL 24 10.753 20.998 10.368
202 HG12 VAL 24 HG12 VAL 24 9.897 21.278 8.840
203 HG13 VAL 24 HG13 VAL 24 9.484 19.888 9.854
204 HG21 VAL 24 HG21 VAL 24 9.761 18.375 8.074
205 HG22 VAL 24 HG22 VAL 24 10.263 19.605 6.901
206 HG23 VAL 24 HG23 VAL 24 11.283 18.175 7.213
207 H ARG 25 H ARG 25 12.240 22.885 9.126
208 HA ARG 25 HA ARG 25 13.923 22.469 11.540
209 HB2 ARG 25 HB2 ARG 25 14.280 24.798 9.606
210 HB3 ARG 25 HB3 ARG 25 14.998 24.682 11.224
211 HG2 ARG 25 HG2 ARG 25 16.153 22.565 10.509
212 HG3 ARG 25 HG3 ARG 25 15.566 22.841 8.862
213 HD2 ARG 25 HD2 ARG 25 16.742 25.050 8.867
214 HD3 ARG 25 HD3 ARG 25 17.422 24.651 10.462
215 HE ARG 25 HE ARG 25 17.972 22.513 8.606
216 HH11 ARG 25 HH11 ARG 25 19.107 25.774 9.214
217 HH12 ARG 25 HH12 ARG 25 20.618 25.474 8.395
218 HH21 ARG 25 HH21 ARG 25 19.744 22.229 7.569
219 HH22 ARG 25 HH22 ARG 25 20.996 23.464 7.468
220 H ALA 26 H ALA 26 13.409 23.734 13.297
221 HA ALA 26 HA ALA 26 10.881 25.324 13.133
222 HB1 ALA 26 HB1 ALA 26 11.858 23.528 15.387
223 HB2 ALA 26 HB2 ALA 26 10.386 24.533 15.417
224 HB3 ALA 26 HB3 ALA 26 10.516 23.193 14.273
225 H GLU 27 H GLU 27 11.154 27.398 13.600
226 HA GLU 27 HA GLU 27 13.269 28.409 15.391
227 HB2 GLU 27 HB2 GLU 27 14.577 27.893 13.417
228 HB3 GLU 27 HB3 GLU 27 13.399 28.634 12.356
229 HG2 GLU 27 HG2 GLU 27 15.440 29.966 12.608
230 HG3 GLU 27 HG3 GLU 27 13.993 30.844 13.081
231 H GLY 28 H GLY 28 12.701 30.342 16.261
232 HA2 GLY 28 HA2 GLY 28 11.717 32.364 16.602
233 HA3 GLY 28 HA3 GLY 28 11.579 32.507 14.847
234 H GLY 29 H GLY 29 9.895 29.968 16.667
235 HA2 GLY 29 HA2 GLY 29 7.644 29.599 17.101
236 HA3 GLY 29 HA3 GLY 29 7.308 31.309 16.802
237 H ALA 30 H ALA 30 8.956 29.334 14.390
238 HA ALA 30 HA ALA 30 6.503 28.825 12.815
239 HB1 ALA 30 HB1 ALA 30 8.943 30.355 11.802
240 HB2 ALA 30 HB2 ALA 30 7.540 29.870 10.824
241 HB3 ALA 30 HB3 ALA 30 7.348 31.067 12.123
242 H VAL 31 H VAL 31 6.840 27.291 11.094
243 HA VAL 31 HA VAL 31 9.356 25.653 11.315
244 HB VAL 31 HB VAL 31 6.549 24.720 10.665
245 HG11 VAL 31 HG11 VAL 31 8.025 23.505 9.144
246 HG12 VAL 31 HG12 VAL 31 9.184 23.191 10.469
247 HG13 VAL 31 HG13 VAL 31 7.573 22.454 10.474
248 HG21 VAL 31 HG21 VAL 31 7.167 24.963 13.070
249 HG22 VAL 31 HG22 VAL 31 6.932 23.274 12.626
250 HG23 VAL 31 HG23 VAL 31 8.581 23.938 12.814
251 H ARG 32 H ARG 32 10.449 25.092 9.533
252 HA ARG 32 HA ARG 32 9.623 26.221 6.885
253 HB2 ARG 32 HB2 ARG 32 12.455 26.203 8.026
254 HB3 ARG 32 HB3 ARG 32 11.950 26.776 6.447
255 HG2 ARG 32 HG2 ARG 32 12.167 28.759 7.568
256 HG3 ARG 32 HG3 ARG 32 10.444 28.466 7.792
257 HD2 ARG 32 HD2 ARG 32 10.902 27.613 10.086
258 HD3 ARG 32 HD3 ARG 32 12.634 27.764 9.826
259 HE ARG 32 HE ARG 32 10.694 29.871 10.464
260 HH11 ARG 32 HH11 ARG 32 13.939 29.351 9.263
261 HH12 ARG 32 HH12 ARG 32 14.461 30.957 9.727
262 HH21 ARG 32 HH21 ARG 32 11.415 31.878 11.030
263 HH22 ARG 32 HH22 ARG 32 13.048 32.349 10.680
264 H VAL 33 H VAL 33 10.132 24.978 5.108
265 HA VAL 33 HA VAL 33 11.166 22.205 5.542
266 HB VAL 33 HB VAL 33 8.639 22.851 4.012
267 HG11 VAL 33 HG11 VAL 33 9.658 20.856 3.124
268 HG12 VAL 33 HG12 VAL 33 9.895 20.212 4.762
269 HG13 VAL 33 HG13 VAL 33 8.261 20.394 4.087
270 HG21 VAL 33 HG21 VAL 33 8.172 23.152 6.416
271 HG22 VAL 33 HG22 VAL 33 7.403 21.685 5.820
272 HG23 VAL 33 HG23 VAL 33 8.909 21.581 6.764
273 H THR 34 H THR 34 12.212 21.268 3.786
274 HA THR 34 HA THR 34 12.275 22.787 1.192
275 HB THR 34 HB THR 34 14.613 21.327 2.463
276 HG1 THR 34 HG1 THR 34 14.204 23.348 3.377
277 HG21 THR 34 HG21 THR 34 14.763 21.141 0.026
278 HG22 THR 34 HG22 THR 34 14.381 22.873 -0.154
279 HG23 THR 34 HG23 THR 34 15.912 22.350 0.589
280 H THR 35 H THR 35 11.659 21.643 -0.545
281 HA THR 35 HA THR 35 11.215 18.700 -0.308
282 HB THR 35 HB THR 35 9.883 18.867 -2.283
283 HG1 THR 35 HG1 THR 35 10.442 21.638 -2.336
284 HG21 THR 35 HG21 THR 35 8.080 20.297 -1.588
285 HG22 THR 35 HG22 THR 35 8.779 19.500 -0.173
286 HG23 THR 35 HG23 THR 35 9.144 21.207 -0.489
287 H LEU 36 H LEU 36 11.612 17.375 -2.311
288 HA LEU 36 HA LEU 36 14.307 17.341 -3.103
289 HB2 LEU 36 HB2 LEU 36 13.766 15.524 -4.410
290 HB3 LEU 36 HB3 LEU 36 12.565 15.473 -3.130
291 HG LEU 36 HG LEU 36 12.118 16.458 -5.998
292 HD11 LEU 36 HD11 LEU 36 12.484 14.027 -5.814
293 HD12 LEU 36 HD12 LEU 36 11.205 13.920 -4.599
294 HD13 LEU 36 HD13 LEU 36 10.821 14.399 -6.262
295 HD21 LEU 36 HD21 LEU 36 10.541 17.635 -4.609
296 HD22 LEU 36 HD22 LEU 36 9.667 16.284 -5.341
297 HD23 LEU 36 HD23 LEU 36 10.212 16.192 -3.652
298 H PHE 37 H PHE 37 11.871 19.408 -4.410
299 HA PHE 37 HA PHE 37 13.189 19.875 -6.979
300 HB2 PHE 37 HB2 PHE 37 11.034 21.489 -5.581
301 HB3 PHE 37 HB3 PHE 37 11.467 21.556 -7.278
302 HD1 PHE 37 HD1 PHE 37 8.970 20.477 -5.182
303 HD2 PHE 37 HD2 PHE 37 11.424 18.990 -8.404
304 HE1 PHE 37 HE1 PHE 37 7.236 18.785 -5.728
305 HE2 PHE 37 HE2 PHE 37 9.677 17.302 -8.942
306 HZ PHE 37 HZ PHE 37 7.588 17.197 -7.607
307 H ASP 38 H ASP 38 14.118 20.678 -3.912
308 HA ASP 38 HA ASP 38 15.203 22.248 -2.817
309 HB2 ASP 38 HB2 ASP 38 15.985 23.611 -5.409
310 HB3 ASP 38 HB3 ASP 38 16.707 23.824 -3.827
311 H GLU 39 H GLU 39 12.333 22.649 -3.956
312 HA GLU 39 HA GLU 39 11.892 25.513 -3.627
313 HB2 GLU 39 HB2 GLU 39 10.456 24.207 -5.110
314 HB3 GLU 39 HB3 GLU 39 9.938 23.179 -3.767
315 HG2 GLU 39 HG2 GLU 39 8.828 25.048 -2.673
316 HG3 GLU 39 HG3 GLU 39 9.532 26.193 -3.829
317 H GLU 40 H GLU 40 11.483 26.594 -1.810
318 HA GLU 40 HA GLU 40 11.380 25.130 0.770
319 HB2 GLU 40 HB2 GLU 40 11.919 28.045 0.102
320 HB3 GLU 40 HB3 GLU 40 11.821 27.384 1.750
321 HG2 GLU 40 HG2 GLU 40 13.730 25.926 1.355
322 HG3 GLU 40 HG3 GLU 40 13.804 26.412 -0.340
323 H HIS 41 H HIS 41 9.869 25.476 2.308
324 HA HIS 41 HA HIS 41 7.491 27.213 1.769
325 HB2 HIS 41 HB2 HIS 41 7.343 24.424 2.976
326 HB3 HIS 41 HB3 HIS 41 6.002 25.525 2.687
327 HD2 HIS 41 HD2 HIS 41 7.911 22.724 1.110
328 HE1 HIS 41 HE1 HIS 41 5.534 24.315 -2.041
329 HE2 HIS 41 HE2 HIS 41 7.035 22.390 -1.353
330 H ALA 42 H ALA 42 6.440 27.975 3.680
331 HA ALA 42 HA ALA 42 7.759 27.465 6.259
332 HB1 ALA 42 HB1 ALA 42 8.009 29.854 6.779
333 HB2 ALA 42 HB2 ALA 42 8.990 29.398 5.380
334 HB3 ALA 42 HB3 ALA 42 7.463 30.286 5.150
335 H PHE 43 H PHE 43 6.557 27.758 8.023
336 HA PHE 43 HA PHE 43 3.625 28.288 7.740
337 HB2 PHE 43 HB2 PHE 43 4.892 25.875 9.075
338 HB3 PHE 43 HB3 PHE 43 3.175 26.231 8.903
339 HD1 PHE 43 HD1 PHE 43 2.109 26.218 6.601
340 HD2 PHE 43 HD2 PHE 43 6.138 24.831 7.300
341 HE1 PHE 43 HE1 PHE 43 2.099 25.084 4.396
342 HE2 PHE 43 HE2 PHE 43 6.115 23.704 5.084
343 HZ PHE 43 HZ PHE 43 4.119 23.844 3.624
344 HA PRO 44 HA PRO 44 5.239 30.479 11.468
345 HB2 PRO 44 HB2 PRO 44 3.592 32.669 11.369
346 HB3 PRO 44 HB3 PRO 44 5.087 32.503 10.402
347 HG2 PRO 44 HG2 PRO 44 2.230 31.946 9.543
348 HG3 PRO 44 HG3 PRO 44 3.497 32.879 8.671
349 HD2 PRO 44 HD2 PRO 44 2.952 30.271 8.093
350 HD3 PRO 44 HD3 PRO 44 4.614 30.925 8.002
351 H GLY 45 H GLY 45 4.491 30.549 13.528
352 HA2 GLY 45 HA2 GLY 45 3.041 30.359 15.328
353 HA3 GLY 45 HA3 GLY 45 1.678 30.057 14.245
354 H LEU 46 H LEU 46 4.195 27.980 13.338
355 HA LEU 46 HA LEU 46 3.091 25.749 14.974
356 HB2 LEU 46 HB2 LEU 46 4.460 25.599 12.275
357 HB3 LEU 46 HB3 LEU 46 3.784 24.254 13.186
358 HG LEU 46 HG LEU 46 2.259 26.509 11.824
359 HD11 LEU 46 HD11 LEU 46 2.149 23.481 11.481
360 HD12 LEU 46 HD12 LEU 46 1.350 24.714 10.485
361 HD13 LEU 46 HD13 LEU 46 3.113 24.557 10.465
362 HD21 LEU 46 HD21 LEU 46 1.163 24.255 13.574
363 HD22 LEU 46 HD22 LEU 46 1.061 25.990 13.928
364 HD23 LEU 46 HD23 LEU 46 0.189 25.320 12.544
365 H ALA 47 H ALA 47 4.425 24.008 15.481
366 HA ALA 47 HA ALA 47 7.357 24.239 15.355
367 HB1 ALA 47 HB1 ALA 47 7.583 23.536 17.729
368 HB2 ALA 47 HB2 ALA 47 6.815 25.126 17.587
369 HB3 ALA 47 HB3 ALA 47 5.826 23.688 17.947
370 H ILE 48 H ILE 48 8.357 22.043 15.703
371 HA ILE 48 HA ILE 48 6.771 19.928 14.433
372 HB ILE 48 HB ILE 48 9.542 19.828 15.654
373 HG12 ILE 48 HG12 ILE 48 8.917 19.866 12.668
374 HG13 ILE 48 HG13 ILE 48 9.125 21.369 13.563
375 HG21 ILE 48 HG21 ILE 48 9.791 17.727 14.301
376 HG22 ILE 48 HG22 ILE 48 8.557 17.573 15.536
377 HG23 ILE 48 HG23 ILE 48 8.082 17.841 13.849
378 HD11 ILE 48 HD11 ILE 48 11.212 19.202 13.237
379 HD12 ILE 48 HD12 ILE 48 11.231 20.860 12.588
380 HD13 ILE 48 HD13 ILE 48 11.376 20.601 14.331
381 H GLY 49 H GLY 49 5.446 18.558 15.443
382 HA2 GLY 49 HA2 GLY 49 5.300 18.485 18.401
383 HA3 GLY 49 HA3 GLY 49 4.131 17.850 17.228
384 H ARG 50 H ARG 50 5.573 16.128 15.676
385 HA ARG 50 HA ARG 50 7.366 14.444 17.214
386 HB2 ARG 50 HB2 ARG 50 6.091 12.413 17.287
387 HB3 ARG 50 HB3 ARG 50 5.171 13.655 18.106
388 HG2 ARG 50 HG2 ARG 50 3.668 13.858 16.166
389 HG3 ARG 50 HG3 ARG 50 4.669 12.706 15.255
390 HD2 ARG 50 HD2 ARG 50 4.222 11.035 17.140
391 HD3 ARG 50 HD3 ARG 50 2.983 12.143 17.732
392 HE ARG 50 HE ARG 50 1.925 11.941 15.426
393 HH11 ARG 50 HH11 ARG 50 3.745 9.150 16.694
394 HH12 ARG 50 HH12 ARG 50 3.260 8.205 15.286
395 HH21 ARG 50 HH21 ARG 50 1.278 10.499 13.848
396 HH22 ARG 50 HH22 ARG 50 1.880 8.861 13.899
397 H VAL 51 H VAL 51 8.199 12.610 16.016
398 HA VAL 51 HA VAL 51 7.618 12.647 13.099
399 HB VAL 51 HB VAL 51 10.428 12.114 14.087
400 HG11 VAL 51 HG11 VAL 51 9.841 11.045 11.986
401 HG12 VAL 51 HG12 VAL 51 9.221 12.573 11.342
402 HG13 VAL 51 HG13 VAL 51 10.960 12.368 11.682
403 HG21 VAL 51 HG21 VAL 51 11.041 14.303 13.058
404 HG22 VAL 51 HG22 VAL 51 9.315 14.705 12.931
405 HG23 VAL 51 HG23 VAL 51 10.075 14.486 14.524
406 H ASP 52 H ASP 52 7.035 10.742 12.367
407 HA ASP 52 HA ASP 52 7.330 8.320 14.109
408 HB2 ASP 52 HB2 ASP 52 5.068 9.418 13.818
409 HB3 ASP 52 HB3 ASP 52 5.114 8.916 12.127
410 H LEU 53 H LEU 53 9.240 7.566 13.235
411 HA LEU 53 HA LEU 53 9.851 7.505 10.418
412 HB2 LEU 53 HB2 LEU 53 11.175 6.096 12.769
413 HB3 LEU 53 HB3 LEU 53 11.823 6.216 11.145
414 HG LEU 53 HG LEU 53 13.031 7.715 12.470
415 HD11 LEU 53 HD11 LEU 53 12.501 8.540 10.224
416 HD12 LEU 53 HD12 LEU 53 11.066 9.382 10.857
417 HD13 LEU 53 HD13 LEU 53 12.691 9.869 11.386
418 HD21 LEU 53 HD21 LEU 53 12.214 9.499 13.807
419 HD22 LEU 53 HD22 LEU 53 10.537 9.216 13.326
420 HD23 LEU 53 HD23 LEU 53 11.399 8.014 14.327
421 H ARG 54 H ARG 54 7.912 5.434 12.323
422 HA ARG 54 HA ARG 54 8.169 2.935 10.902
423 HB2 ARG 54 HB2 ARG 54 5.636 4.173 12.049
424 HB3 ARG 54 HB3 ARG 54 5.930 2.467 11.746
425 HG2 ARG 54 HG2 ARG 54 7.652 2.429 13.543
426 HG3 ARG 54 HG3 ARG 54 7.345 4.156 13.850
427 HD2 ARG 54 HD2 ARG 54 4.880 3.515 14.181
428 HD3 ARG 54 HD3 ARG 54 5.404 1.833 14.188
429 HE ARG 54 HE ARG 54 6.408 2.126 16.286
430 HH11 ARG 54 HH11 ARG 54 5.377 5.341 15.191
431 HH12 ARG 54 HH12 ARG 54 5.235 5.864 16.879
432 HH21 ARG 54 HH21 ARG 54 6.388 3.119 18.340
433 HH22 ARG 54 HH22 ARG 54 5.877 4.805 18.435
434 H SER 55 H SER 55 6.637 5.965 10.077
435 HA SER 55 HA SER 55 5.816 4.904 7.393
436 HB2 SER 55 HB2 SER 55 4.203 6.786 9.145
437 HB3 SER 55 HB3 SER 55 3.742 6.213 7.537
438 HG SER 55 HG SER 55 3.545 4.121 8.346
439 H GLY 56 H GLY 56 7.831 7.095 8.870
440 HA2 GLY 56 HA2 GLY 56 9.108 8.807 8.033
441 HA3 GLY 56 HA3 GLY 56 8.403 8.520 6.437
442 H VAL 57 H VAL 57 6.563 9.398 9.368
443 HA VAL 57 HA VAL 57 5.566 11.831 7.923
444 HB VAL 57 HB VAL 57 4.300 10.305 10.218
445 HG11 VAL 57 HG11 VAL 57 2.301 11.686 9.681
446 HG12 VAL 57 HG12 VAL 57 3.625 12.675 10.281
447 HG13 VAL 57 HG13 VAL 57 3.275 12.636 8.535
448 HG21 VAL 57 HG21 VAL 57 4.210 9.012 8.120
449 HG22 VAL 57 HG22 VAL 57 2.612 9.643 8.516
450 HG23 VAL 57 HG23 VAL 57 3.600 10.437 7.254
451 H ILE 58 H ILE 58 6.232 13.736 8.513
452 HA ILE 58 HA ILE 58 7.146 14.327 11.312
453 HB ILE 58 HB ILE 58 7.446 15.784 8.668
454 HG12 ILE 58 HG12 ILE 58 9.576 14.748 10.586
455 HG13 ILE 58 HG13 ILE 58 8.982 13.827 9.202
456 HG21 ILE 58 HG21 ILE 58 8.725 17.515 9.955
457 HG22 ILE 58 HG22 ILE 58 7.021 17.512 10.309
458 HG23 ILE 58 HG23 ILE 58 8.182 16.775 11.463
459 HD11 ILE 58 HD11 ILE 58 9.737 15.718 7.702
460 HD12 ILE 58 HD12 ILE 58 10.560 16.403 9.141
461 HD13 ILE 58 HD13 ILE 58 11.007 14.807 8.528
462 H SER 59 H SER 59 5.560 14.961 12.642
463 HA SER 59 HA SER 59 3.082 16.203 11.523
464 HB2 SER 59 HB2 SER 59 2.868 14.099 12.856
465 HB3 SER 59 HB3 SER 59 3.594 14.949 14.231
466 HG SER 59 HG SER 59 1.275 14.968 14.285
467 H LEU 60 H LEU 60 2.738 18.311 11.790
468 HA LEU 60 HA LEU 60 4.329 19.853 13.778
469 HB2 LEU 60 HB2 LEU 60 2.635 20.913 11.512
470 HB3 LEU 60 HB3 LEU 60 3.790 21.792 12.505
471 HG LEU 60 HG LEU 60 4.391 19.676 10.402
472 HD11 LEU 60 HD11 LEU 60 5.055 22.645 10.634
473 HD12 LEU 60 HD12 LEU 60 5.574 21.563 9.316
474 HD13 LEU 60 HD13 LEU 60 3.862 21.917 9.547
475 HD21 LEU 60 HD21 LEU 60 6.034 19.339 12.177
476 HD22 LEU 60 HD22 LEU 60 6.797 20.169 10.826
477 HD23 LEU 60 HD23 LEU 60 6.330 21.089 12.279
478 H ILE 61 H ILE 61 3.415 21.335 15.148
479 HA ILE 61 HA ILE 61 0.497 21.280 15.704
480 HB ILE 61 HB ILE 61 0.925 21.107 18.120
481 HG12 ILE 61 HG12 ILE 61 3.112 19.850 18.768
482 HG13 ILE 61 HG13 ILE 61 3.817 20.575 17.331
483 HG21 ILE 61 HG21 ILE 61 1.911 18.680 16.579
484 HG22 ILE 61 HG22 ILE 61 1.156 18.696 18.184
485 HG23 ILE 61 HG23 ILE 61 0.216 19.166 16.766
486 HD11 ILE 61 HD11 ILE 61 4.292 21.792 19.445
487 HD12 ILE 61 HD12 ILE 61 3.442 22.822 18.288
488 HD13 ILE 61 HD13 ILE 61 2.566 22.102 19.656
489 H GLU 62 H GLU 62 -0.182 23.127 17.134
490 HA GLU 62 HA GLU 62 1.090 25.589 16.248
491 HB2 GLU 62 HB2 GLU 62 -1.127 25.101 18.274
492 HB3 GLU 62 HB3 GLU 62 -0.565 26.687 17.716
493 HG2 GLU 62 HG2 GLU 62 -1.122 26.001 15.359
494 HG3 GLU 62 HG3 GLU 62 -1.815 24.506 15.986
495 H GLU 63 H GLU 63 2.529 26.876 17.232
496 HA GLU 63 HA GLU 63 3.978 25.876 19.546
497 HB2 GLU 63 HB2 GLU 63 5.548 27.573 19.114
498 HB3 GLU 63 HB3 GLU 63 4.992 26.964 17.574
499 HG2 GLU 63 HG2 GLU 63 4.848 29.108 16.985
500 HG3 GLU 63 HG3 GLU 63 3.274 29.042 17.761
501 H GLN 64 H GLN 64 1.266 27.975 19.251
502 HA GLN 64 HA GLN 64 1.488 28.919 22.041
503 HB2 GLN 64 HB2 GLN 64 -0.661 29.287 19.914
504 HB3 GLN 64 HB3 GLN 64 -0.798 29.940 21.539
505 HG2 GLN 64 HG2 GLN 64 1.397 30.669 19.540
506 HG3 GLN 64 HG3 GLN 64 -0.034 31.634 19.898
507 HE21 GLN 64 HE21 GLN 64 3.142 31.756 20.466
508 HE22 GLN 64 HE22 GLN 64 3.122 32.437 22.098
509 H ASN 65 H ASN 65 0.979 26.133 20.891
510 HA ASN 65 HA ASN 65 -0.146 24.180 21.351
511 HB2 ASN 65 HB2 ASN 65 0.346 25.285 24.130
512 HB3 ASN 65 HB3 ASN 65 0.097 23.583 23.734
513 HD21 ASN 65 HD21 ASN 65 1.993 24.163 21.163
514 HD22 ASN 65 HD22 ASN 65 3.538 23.991 21.964
515 H ARG 66 H ARG 66 -2.074 25.946 20.569
516 HA ARG 66 HA ARG 66 -4.311 26.208 22.357
517 HB2 ARG 66 HB2 ARG 66 -4.263 26.255 19.310
518 HB3 ARG 66 HB3 ARG 66 -5.601 26.779 20.340
519 HG2 ARG 66 HG2 ARG 66 -4.018 28.484 21.391
520 HG3 ARG 66 HG3 ARG 66 -2.845 28.056 20.125
521 HD2 ARG 66 HD2 ARG 66 -4.630 28.657 18.408
522 HD3 ARG 66 HD3 ARG 66 -5.651 29.173 19.737
523 HE ARG 66 HE ARG 66 -4.303 31.064 20.082
524 HH11 ARG 66 HH11 ARG 66 -1.937 32.402 18.013
525 HH12 ARG 66 HH12 ARG 66 -3.018 32.681 19.351
526 HH21 ARG 66 HH21 ARG 66 -2.804 29.106 17.544
527 HH22 ARG 66 HH22 ARG 66 -1.836 30.461 17.012
528 H1 GLY -3 H1 GLY -3 16.137 -4.854 -6.218
529 H2 GLY -3 H2 GLY -3 15.362 -6.260 -5.917
530 H3 GLY -3 H3 GLY -3 15.527 -5.140 -4.728
531 HA2 GLY -3 HA2 GLY -3 13.920 -4.831 -7.183
532 HA3 GLY -3 HA3 GLY -3 13.279 -5.129 -5.561
533 HA PRO -2 HA PRO -2 13.167 -0.563 -6.324
534 HB2 PRO -2 HB2 PRO -2 10.755 -0.918 -4.557
535 HB3 PRO -2 HB3 PRO -2 10.958 0.113 -6.006
536 HG2 PRO -2 HG2 PRO -2 9.610 -2.227 -6.187
537 HG3 PRO -2 HG3 PRO -2 10.785 -1.776 -7.466
538 HD2 PRO -2 HD2 PRO -2 11.192 -3.628 -5.092
539 HD3 PRO -2 HD3 PRO -2 11.616 -3.907 -6.805
540 H GLY -1 H GLY -1 13.410 1.266 -4.905
541 HA2 GLY -1 HA2 GLY -1 14.865 0.799 -2.446
542 HA3 GLY -1 HA3 GLY -1 14.413 2.361 -3.125
543 H SER 0 H SER 0 14.348 2.036 -0.430
544 HA SER 0 HA SER 0 11.515 2.408 0.267
545 HB2 SER 0 HB2 SER 0 11.930 -0.084 0.387
546 HB3 SER 0 HB3 SER 0 13.125 0.234 1.661
547 HG SER 0 HG SER 0 10.302 0.602 1.682
548 H MET 1 H MET 1 11.221 3.105 2.531
549 HA MET 1 HA MET 1 13.240 5.046 3.363
550 HB2 MET 1 HB2 MET 1 11.642 5.755 4.995
551 HB3 MET 1 HB3 MET 1 10.793 5.494 3.476
552 HG2 MET 1 HG2 MET 1 9.982 3.295 4.328
553 HG3 MET 1 HG3 MET 1 10.847 3.568 5.833
554 HE1 MET 1 HE1 MET 1 7.061 5.886 4.467
555 HE2 MET 1 HE2 MET 1 8.617 6.168 3.666
556 HE3 MET 1 HE3 MET 1 7.837 4.566 3.573
557 H CYS 2 H CYS 2 13.866 5.210 5.696
558 HA CYS 2 HA CYS 2 14.231 2.681 7.159
559 HB2 CYS 2 HB2 CYS 2 16.649 2.892 7.289
560 HB3 CYS 2 HB3 CYS 2 16.152 2.829 5.589
561 HG CYS 2 HG CYS 2 17.006 5.438 7.461
562 H MET 3 H MET 3 15.221 3.057 9.333
563 HA MET 3 HA MET 3 13.945 5.264 10.695
564 HB2 MET 3 HB2 MET 3 15.978 3.194 11.646
565 HB3 MET 3 HB3 MET 3 15.293 4.459 12.659
566 HG2 MET 3 HG2 MET 3 13.975 2.616 13.122
567 HG3 MET 3 HG3 MET 3 12.987 3.618 12.073
568 HE1 MET 3 HE1 MET 3 14.760 0.273 12.704
569 HE2 MET 3 HE2 MET 3 14.813 -0.535 11.114
570 HE3 MET 3 HE3 MET 3 15.868 0.861 11.434
571 H ALA 4 H ALA 4 14.794 7.032 11.677
572 HA ALA 4 HA ALA 4 17.292 8.196 10.643
573 HB1 ALA 4 HB1 ALA 4 16.462 10.202 11.848
574 HB2 ALA 4 HB2 ALA 4 15.230 9.534 10.778
575 HB3 ALA 4 HB3 ALA 4 15.133 9.234 12.526
576 H LYS 5 H LYS 5 18.482 9.498 12.471
577 HA LYS 5 HA LYS 5 18.609 8.063 15.081
578 HB2 LYS 5 HB2 LYS 5 21.004 8.350 15.250
579 HB3 LYS 5 HB3 LYS 5 20.594 7.338 13.877
580 HG2 LYS 5 HG2 LYS 5 20.946 9.284 12.343
581 HG3 LYS 5 HG3 LYS 5 21.420 10.270 13.744
582 HD2 LYS 5 HD2 LYS 5 23.293 8.693 14.204
583 HD3 LYS 5 HD3 LYS 5 22.798 7.698 12.823
584 HE2 LYS 5 HE2 LYS 5 23.145 9.654 11.307
585 HE3 LYS 5 HE3 LYS 5 23.706 10.603 12.700
586 HZ1 LYS 5 HZ1 LYS 5 25.577 9.666 11.490
587 HZ2 LYS 5 HZ2 LYS 5 25.513 8.988 12.974
588 HZ3 LYS 5 HZ3 LYS 5 25.008 8.144 11.660
589 H VAL 6 H VAL 6 18.861 9.298 16.870
590 HA VAL 6 HA VAL 6 18.259 12.199 16.526
591 HB VAL 6 HB VAL 6 17.894 10.486 19.000
592 HG11 VAL 6 HG11 VAL 6 16.890 13.272 18.302
593 HG12 VAL 6 HG12 VAL 6 16.378 12.322 19.719
594 HG13 VAL 6 HG13 VAL 6 18.044 12.845 19.589
595 HG21 VAL 6 HG21 VAL 6 15.459 10.565 18.473
596 HG22 VAL 6 HG22 VAL 6 15.837 11.306 16.905
597 HG23 VAL 6 HG23 VAL 6 16.385 9.651 17.297
598 H VAL 7 H VAL 7 19.515 13.771 17.425
599 HA VAL 7 HA VAL 7 21.668 13.041 19.317
600 HB VAL 7 HB VAL 7 22.776 13.216 17.176
601 HG11 VAL 7 HG11 VAL 7 22.910 15.319 15.925
602 HG12 VAL 7 HG12 VAL 7 21.243 14.728 15.967
603 HG13 VAL 7 HG13 VAL 7 21.736 16.083 17.007
604 HG21 VAL 7 HG21 VAL 7 23.917 14.071 19.257
605 HG22 VAL 7 HG22 VAL 7 24.501 14.785 17.743
606 HG23 VAL 7 HG23 VAL 7 23.427 15.715 18.784
607 H LEU 8 H LEU 8 22.053 14.483 20.921
608 HA LEU 8 HA LEU 8 20.638 17.084 20.945
609 HB2 LEU 8 HB2 LEU 8 19.666 16.722 23.104
610 HB3 LEU 8 HB3 LEU 8 19.184 15.427 22.037
611 HG LEU 8 HG LEU 8 21.330 14.223 23.178
612 HD11 LEU 8 HD11 LEU 8 20.203 16.037 25.349
613 HD12 LEU 8 HD12 LEU 8 21.297 14.672 25.623
614 HD13 LEU 8 HD13 LEU 8 21.857 16.090 24.719
615 HD21 LEU 8 HD21 LEU 8 19.062 13.299 23.069
616 HD22 LEU 8 HD22 LEU 8 19.763 13.084 24.676
617 HD23 LEU 8 HD23 LEU 8 18.546 14.346 24.398
618 H THR 9 H THR 9 21.566 18.655 22.313
619 HA THR 9 HA THR 9 24.363 18.063 23.205
620 HB THR 9 HB THR 9 23.299 20.801 22.475
621 HG1 THR 9 HG1 THR 9 23.293 19.503 20.646
622 HG21 THR 9 HG21 THR 9 26.121 19.680 22.790
623 HG22 THR 9 HG22 THR 9 25.714 21.322 22.248
624 HG23 THR 9 HG23 THR 9 25.309 20.813 23.898
625 H LYS 10 H LYS 10 24.866 18.280 25.240
626 HA LYS 10 HA LYS 10 22.852 18.911 27.298
627 HB2 LYS 10 HB2 LYS 10 25.770 18.092 27.408
628 HB3 LYS 10 HB3 LYS 10 24.716 18.237 28.821
629 HG2 LYS 10 HG2 LYS 10 23.248 16.446 27.878
630 HG3 LYS 10 HG3 LYS 10 24.377 16.229 26.534
631 HD2 LYS 10 HD2 LYS 10 25.151 15.976 29.483
632 HD3 LYS 10 HD3 LYS 10 24.675 14.602 28.480
633 HE2 LYS 10 HE2 LYS 10 26.588 14.734 27.116
634 HE3 LYS 10 HE3 LYS 10 26.907 16.411 27.555
635 HZ1 LYS 10 HZ1 LYS 10 27.622 15.773 29.694
636 HZ2 LYS 10 HZ2 LYS 10 27.162 14.198 29.506
637 HZ3 LYS 10 HZ3 LYS 10 28.418 14.809 28.655
638 H ALA 11 H ALA 11 23.385 20.287 29.139
639 HA ALA 11 HA ALA 11 24.190 22.951 28.495
640 HB1 ALA 11 HB1 ALA 11 23.880 21.559 31.195
641 HB2 ALA 11 HB2 ALA 11 23.913 23.318 30.901
642 HB3 ALA 11 HB3 ALA 11 22.581 22.350 30.264
643 H ASP 12 H ASP 12 26.098 20.199 29.625
644 HA ASP 12 HA ASP 12 28.430 21.809 30.373
645 HB2 ASP 12 HB2 ASP 12 29.490 19.715 30.855
646 HB3 ASP 12 HB3 ASP 12 27.883 19.736 31.549
647 H GLY 13 H GLY 13 27.174 21.184 27.393
648 HA2 GLY 13 HA2 GLY 13 28.050 21.765 25.331
649 HA3 GLY 13 HA3 GLY 13 29.689 21.751 25.981
650 H GLY 14 H GLY 14 28.507 18.815 26.950
651 HA2 GLY 14 HA2 GLY 14 29.682 17.294 24.724
652 HA3 GLY 14 HA3 GLY 14 28.990 16.654 26.208
653 H ARG 15 H ARG 15 28.428 15.333 23.950
654 HA ARG 15 HA ARG 15 25.560 15.936 23.379
655 HB2 ARG 15 HB2 ARG 15 27.730 15.229 21.376
656 HB3 ARG 15 HB3 ARG 15 26.004 14.998 21.044
657 HG2 ARG 15 HG2 ARG 15 25.562 17.362 21.495
658 HG3 ARG 15 HG3 ARG 15 27.285 17.662 21.758
659 HD2 ARG 15 HD2 ARG 15 27.818 17.133 19.475
660 HD3 ARG 15 HD3 ARG 15 26.177 16.509 19.174
661 HE ARG 15 HE ARG 15 25.653 19.052 19.982
662 HH11 ARG 15 HH11 ARG 15 27.758 17.919 17.418
663 HH12 ARG 15 HH12 ARG 15 27.541 19.380 16.485
664 HH21 ARG 15 HH21 ARG 15 25.418 20.823 18.786
665 HH22 ARG 15 HH22 ARG 15 26.219 20.999 17.243
666 H VAL 16 H VAL 16 24.232 14.261 22.767
667 HA VAL 16 HA VAL 16 25.051 11.492 23.495
668 HB VAL 16 HB VAL 16 22.543 12.849 24.549
669 HG11 VAL 16 HG11 VAL 16 23.641 10.046 25.048
670 HG12 VAL 16 HG12 VAL 16 22.268 10.785 25.899
671 HG13 VAL 16 HG13 VAL 16 22.137 10.471 24.177
672 HG21 VAL 16 HG21 VAL 16 24.452 13.679 25.810
673 HG22 VAL 16 HG22 VAL 16 23.561 12.538 26.803
674 HG23 VAL 16 HG23 VAL 16 25.080 12.027 26.024
675 H GLU 17 H GLU 17 23.953 9.867 22.343
676 HA GLU 17 HA GLU 17 22.140 10.800 20.167
677 HB2 GLU 17 HB2 GLU 17 24.444 8.842 19.798
678 HB3 GLU 17 HB3 GLU 17 23.266 9.353 18.597
679 HG2 GLU 17 HG2 GLU 17 25.085 10.627 18.019
680 HG3 GLU 17 HG3 GLU 17 24.102 11.752 18.949
681 H ILE 18 H ILE 18 20.695 9.345 19.322
682 HA ILE 18 HA ILE 18 20.443 6.633 20.532
683 HB ILE 18 HB ILE 18 18.090 8.537 20.197
684 HG12 ILE 18 HG12 ILE 18 17.971 7.759 22.803
685 HG13 ILE 18 HG13 ILE 18 19.709 7.693 22.592
686 HG21 ILE 18 HG21 ILE 18 18.196 5.649 21.150
687 HG22 ILE 18 HG22 ILE 18 16.760 6.697 21.167
688 HG23 ILE 18 HG23 ILE 18 17.487 6.244 19.627
689 HD11 ILE 18 HD11 ILE 18 19.004 9.850 23.487
690 HD12 ILE 18 HD12 ILE 18 19.652 10.130 21.872
691 HD13 ILE 18 HD13 ILE 18 17.890 10.107 22.129
692 H GLY 19 H GLY 19 20.916 5.382 18.859
693 HA2 GLY 19 HA2 GLY 19 20.388 6.139 16.087
694 HA3 GLY 19 HA3 GLY 19 21.159 4.667 16.655
695 H ASP 20 H ASP 20 19.248 4.874 14.557
696 HA ASP 20 HA ASP 20 17.421 3.899 13.687
697 HB2 ASP 20 HB2 ASP 20 18.057 1.757 15.722
698 HB3 ASP 20 HB3 ASP 20 17.100 1.542 14.251
699 H VAL 21 H VAL 21 16.511 5.868 15.152
700 HA VAL 21 HA VAL 21 14.558 5.127 17.144
701 HB VAL 21 HB VAL 21 15.676 7.296 17.146
702 HG11 VAL 21 HG11 VAL 21 13.989 7.980 14.707
703 HG12 VAL 21 HG12 VAL 21 14.846 9.147 15.711
704 HG13 VAL 21 HG13 VAL 21 15.753 7.935 14.810
705 HG21 VAL 21 HG21 VAL 21 13.510 7.021 18.322
706 HG22 VAL 21 HG22 VAL 21 13.767 8.673 17.744
707 HG23 VAL 21 HG23 VAL 21 12.679 7.610 16.858
708 H LEU 22 H LEU 22 12.488 4.566 16.977
709 HA LEU 22 HA LEU 22 11.177 4.280 14.325
710 HB2 LEU 22 HB2 LEU 22 10.388 3.408 17.141
711 HB3 LEU 22 HB3 LEU 22 9.402 3.154 15.706
712 HG LEU 22 HG LEU 22 12.160 1.928 16.155
713 HD11 LEU 22 HD11 LEU 22 10.427 1.017 17.646
714 HD12 LEU 22 HD12 LEU 22 9.323 0.784 16.276
715 HD13 LEU 22 HD13 LEU 22 10.811 -0.172 16.392
716 HD21 LEU 22 HD21 LEU 22 11.574 0.517 14.211
717 HD22 LEU 22 HD22 LEU 22 10.092 1.480 13.947
718 HD23 LEU 22 HD23 LEU 22 11.689 2.225 13.754
719 H GLU 23 H GLU 23 10.935 6.147 17.343
720 HA GLU 23 HA GLU 23 9.252 8.127 15.999
721 HB2 GLU 23 HB2 GLU 23 7.608 6.504 16.785
722 HB3 GLU 23 HB3 GLU 23 8.243 6.605 18.433
723 HG2 GLU 23 HG2 GLU 23 7.518 8.922 18.622
724 HG3 GLU 23 HG3 GLU 23 7.064 8.963 16.909
725 H VAL 24 H VAL 24 9.418 10.148 16.854
726 HA VAL 24 HA VAL 24 10.651 10.537 19.530
727 HB VAL 24 HB VAL 24 12.459 10.906 17.977
728 HG11 VAL 24 HG11 VAL 24 11.361 11.381 15.926
729 HG12 VAL 24 HG12 VAL 24 10.670 12.904 16.549
730 HG13 VAL 24 HG13 VAL 24 12.413 12.755 16.317
731 HG21 VAL 24 HG21 VAL 24 11.465 13.634 18.913
732 HG22 VAL 24 HG22 VAL 24 12.245 12.435 19.964
733 HG23 VAL 24 HG23 VAL 24 13.137 13.147 18.602
734 H ARG 25 H ARG 25 9.708 12.138 20.733
735 HA ARG 25 HA ARG 25 7.336 13.587 19.573
736 HB2 ARG 25 HB2 ARG 25 7.296 12.198 22.272
737 HB3 ARG 25 HB3 ARG 25 5.938 12.841 21.352
738 HG2 ARG 25 HG2 ARG 25 6.247 10.975 19.685
739 HG3 ARG 25 HG3 ARG 25 7.579 10.353 20.686
740 HD2 ARG 25 HD2 ARG 25 5.904 10.293 22.634
741 HD3 ARG 25 HD3 ARG 25 4.640 10.551 21.436
742 HE ARG 25 HE ARG 25 5.074 8.420 20.474
743 HH11 ARG 25 HH11 ARG 25 7.088 8.855 23.314
744 HH12 ARG 25 HH12 ARG 25 7.612 7.182 23.319
745 HH21 ARG 25 HH21 ARG 25 5.978 6.452 20.359
746 HH22 ARG 25 HH22 ARG 25 7.165 5.941 21.553
747 H ALA 26 H ALA 26 7.224 15.685 20.173
748 HA ALA 26 HA ALA 26 8.784 16.629 22.543
749 HB1 ALA 26 HB1 ALA 26 7.855 18.124 20.063
750 HB2 ALA 26 HB2 ALA 26 8.693 18.838 21.459
751 HB3 ALA 26 HB3 ALA 26 9.522 17.631 20.441
752 H GLU 27 H GLU 27 7.486 16.699 24.275
753 HA GLU 27 HA GLU 27 4.866 17.993 24.203
754 HB2 GLU 27 HB2 GLU 27 4.357 15.749 23.302
755 HB3 GLU 27 HB3 GLU 27 5.083 15.000 24.714
756 HG2 GLU 27 HG2 GLU 27 2.677 14.922 24.849
757 HG3 GLU 27 HG3 GLU 27 3.320 15.902 26.154
758 H GLY 28 H GLY 28 4.047 18.478 26.275
759 HA2 GLY 28 HA2 GLY 28 4.097 18.957 28.520
760 HA3 GLY 28 HA3 GLY 28 4.901 17.409 28.731
761 H GLY 29 H GLY 29 6.473 19.985 26.893
762 HA2 GLY 29 HA2 GLY 29 8.314 21.328 27.373
763 HA3 GLY 29 HA3 GLY 29 8.138 20.968 29.088
764 H ALA 30 H ALA 30 8.348 18.250 26.898
765 HA ALA 30 HA ALA 30 11.248 17.832 27.373
766 HB1 ALA 30 HB1 ALA 30 9.942 16.798 29.256
767 HB2 ALA 30 HB2 ALA 30 9.036 15.842 28.069
768 HB3 ALA 30 HB3 ALA 30 10.781 15.580 28.266
769 H VAL 31 H VAL 31 12.098 15.955 26.154
770 HA VAL 31 HA VAL 31 10.424 15.181 23.806
771 HB VAL 31 HB VAL 31 13.432 15.510 23.841
772 HG11 VAL 31 HG11 VAL 31 11.615 14.249 21.738
773 HG12 VAL 31 HG12 VAL 31 13.269 14.771 21.427
774 HG13 VAL 31 HG13 VAL 31 12.979 13.469 22.582
775 HG21 VAL 31 HG21 VAL 31 13.027 17.100 22.042
776 HG22 VAL 31 HG22 VAL 31 11.285 16.728 22.054
777 HG23 VAL 31 HG23 VAL 31 12.029 17.563 23.422
778 H ARG 32 H ARG 32 10.061 13.123 23.430
779 HA ARG 32 HA ARG 32 11.536 11.017 24.984
780 HB2 ARG 32 HB2 ARG 32 8.615 11.167 24.144
781 HB3 ARG 32 HB3 ARG 32 9.421 9.630 24.483
782 HG2 ARG 32 HG2 ARG 32 9.936 10.284 26.762
783 HG3 ARG 32 HG3 ARG 32 9.311 11.920 26.478
784 HD2 ARG 32 HD2 ARG 32 7.679 10.605 27.709
785 HD3 ARG 32 HD3 ARG 32 7.056 11.031 26.106
786 HE ARG 32 HE ARG 32 8.253 8.439 25.937
787 HH11 ARG 32 HH11 ARG 32 5.509 9.848 27.600
788 HH12 ARG 32 HH12 ARG 32 4.615 8.343 27.569
789 HH21 ARG 32 HH21 ARG 32 7.034 6.626 25.818
790 HH22 ARG 32 HH22 ARG 32 5.478 6.563 26.626
791 H VAL 33 H VAL 33 12.053 9.123 23.918
792 HA VAL 33 HA VAL 33 11.746 8.998 20.960
793 HB VAL 33 HB VAL 33 14.079 8.232 20.699
794 HG11 VAL 33 HG11 VAL 33 13.521 10.525 20.149
795 HG12 VAL 33 HG12 VAL 33 13.835 11.047 21.821
796 HG13 VAL 33 HG13 VAL 33 15.162 10.427 20.816
797 HG21 VAL 33 HG21 VAL 33 14.499 9.256 23.532
798 HG22 VAL 33 HG22 VAL 33 14.609 7.551 23.017
799 HG23 VAL 33 HG23 VAL 33 15.772 8.734 22.407
800 H THR 34 H THR 34 11.731 6.949 20.085
801 HA THR 34 HA THR 34 11.656 4.579 21.935
802 HB THR 34 HB THR 34 9.766 5.120 19.611
803 HG1 THR 34 HG1 THR 34 9.428 6.487 21.398
804 HG21 THR 34 HG21 THR 34 9.747 2.972 21.773
805 HG22 THR 34 HG22 THR 34 8.426 3.286 20.625
806 HG23 THR 34 HG23 THR 34 9.997 2.723 20.032
807 H THR 35 H THR 35 12.726 2.763 21.188
808 HA THR 35 HA THR 35 13.791 2.833 18.375
809 HB THR 35 HB THR 35 15.783 1.799 19.092
810 HG1 THR 35 HG1 THR 35 16.061 1.451 21.405
811 HG21 THR 35 HG21 THR 35 15.648 4.287 19.481
812 HG22 THR 35 HG22 THR 35 15.233 3.950 21.176
813 HG23 THR 35 HG23 THR 35 16.800 3.430 20.526
814 H LEU 36 H LEU 36 14.440 0.740 17.471
815 HA LEU 36 HA LEU 36 12.363 -1.217 17.555
816 HB2 LEU 36 HB2 LEU 36 13.502 -2.290 15.853
817 HB3 LEU 36 HB3 LEU 36 13.843 -0.586 15.591
818 HG LEU 36 HG LEU 36 15.748 -2.658 16.824
819 HD11 LEU 36 HD11 LEU 36 16.994 -2.377 14.733
820 HD12 LEU 36 HD12 LEU 36 15.342 -2.914 14.393
821 HD13 LEU 36 HD13 LEU 36 15.799 -1.216 14.141
822 HD21 LEU 36 HD21 LEU 36 16.328 -0.507 17.783
823 HD22 LEU 36 HD22 LEU 36 17.482 -0.875 16.508
824 HD23 LEU 36 HD23 LEU 36 16.191 0.285 16.189
825 H PHE 37 H PHE 37 14.854 -0.828 19.800
826 HA PHE 37 HA PHE 37 15.017 -3.665 20.555
827 HB2 PHE 37 HB2 PHE 37 16.144 -1.226 21.959
828 HB3 PHE 37 HB3 PHE 37 16.584 -2.906 22.236
829 HD1 PHE 37 HD1 PHE 37 17.301 -4.194 19.895
830 HD2 PHE 37 HD2 PHE 37 17.743 0.018 20.758
831 HE1 PHE 37 HE1 PHE 37 19.121 -4.030 18.218
832 HE2 PHE 37 HE2 PHE 37 19.559 0.175 19.071
833 HZ PHE 37 HZ PHE 37 20.243 -1.844 17.789
834 H ASP 38 H ASP 38 12.512 -1.763 20.741
835 HA ASP 38 HA ASP 38 10.730 -1.350 21.998
836 HB2 ASP 38 HB2 ASP 38 11.537 -3.690 23.751
837 HB3 ASP 38 HB3 ASP 38 9.959 -2.912 23.706
838 H GLU 39 H GLU 39 13.517 -0.304 22.841
839 HA GLU 39 HA GLU 39 13.046 0.476 25.628
840 HB2 GLU 39 HB2 GLU 39 15.296 -0.201 24.886
841 HB3 GLU 39 HB3 GLU 39 15.307 1.085 23.696
842 HG2 GLU 39 HG2 GLU 39 16.700 1.701 25.525
843 HG3 GLU 39 HG3 GLU 39 15.326 2.781 25.509
844 H GLU 40 H GLU 40 12.863 2.586 26.379
845 HA GLU 40 HA GLU 40 12.541 4.755 24.411
846 HB2 GLU 40 HB2 GLU 40 10.568 4.283 26.683
847 HB3 GLU 40 HB3 GLU 40 10.766 5.824 25.835
848 HG2 GLU 40 HG2 GLU 40 10.298 4.591 23.678
849 HG3 GLU 40 HG3 GLU 40 9.848 3.195 24.638
850 H HIS 41 H HIS 41 13.053 6.801 25.116
851 HA HIS 41 HA HIS 41 14.351 7.109 27.781
852 HB2 HIS 41 HB2 HIS 41 15.596 8.184 25.235
853 HB3 HIS 41 HB3 HIS 41 16.191 8.388 26.863
854 HD2 HIS 41 HD2 HIS 41 16.287 6.025 23.909
855 HE1 HIS 41 HE1 HIS 41 18.529 4.118 26.992
856 HE2 HIS 41 HE2 HIS 41 17.940 4.066 24.518
857 H ALA 42 H ALA 42 14.445 9.337 28.510
858 HA ALA 42 HA ALA 42 12.618 11.240 27.142
859 HB1 ALA 42 HB1 ALA 42 11.498 11.706 29.278
860 HB2 ALA 42 HB2 ALA 42 11.281 10.001 28.821
861 HB3 ALA 42 HB3 ALA 42 12.457 10.442 30.083
862 H PHE 43 H PHE 43 13.145 13.314 27.304
863 HA PHE 43 HA PHE 43 15.519 14.187 28.903
864 HB2 PHE 43 HB2 PHE 43 15.026 14.662 25.952
865 HB3 PHE 43 HB3 PHE 43 16.385 15.254 26.912
866 HD1 PHE 43 HD1 PHE 43 17.967 13.511 28.008
867 HD2 PHE 43 HD2 PHE 43 15.140 12.541 24.884
868 HE1 PHE 43 HE1 PHE 43 19.208 11.422 27.520
869 HE2 PHE 43 HE2 PHE 43 16.402 10.463 24.397
870 HZ PHE 43 HZ PHE 43 18.420 9.884 25.736
871 HA PRO 44 HA PRO 44 12.164 17.305 29.447
872 HB2 PRO 44 HB2 PRO 44 12.845 18.103 31.994
873 HB3 PRO 44 HB3 PRO 44 11.829 16.688 31.617
874 HG2 PRO 44 HG2 PRO 44 14.796 16.750 32.216
875 HG3 PRO 44 HG3 PRO 44 13.548 15.623 32.871
876 HD2 PRO 44 HD2 PRO 44 15.193 14.967 30.818
877 HD3 PRO 44 HD3 PRO 44 13.509 14.380 30.894
878 H GLY 45 H GLY 45 12.203 19.495 29.231
879 HA2 GLY 45 HA2 GLY 45 13.045 21.634 28.963
880 HA3 GLY 45 HA3 GLY 45 14.655 21.090 29.410
881 H LEU 46 H LEU 46 13.549 19.036 26.955
882 HA LEU 46 HA LEU 46 14.947 20.627 24.852
883 HB2 LEU 46 HB2 LEU 46 14.285 17.664 24.899
884 HB3 LEU 46 HB3 LEU 46 15.149 18.507 23.625
885 HG LEU 46 HG LEU 46 16.118 17.922 26.450
886 HD11 LEU 46 HD11 LEU 46 17.286 17.284 23.695
887 HD12 LEU 46 HD12 LEU 46 17.842 16.685 25.268
888 HD13 LEU 46 HD13 LEU 46 16.271 16.170 24.623
889 HD21 LEU 46 HD21 LEU 46 16.913 20.179 25.967
890 HD22 LEU 46 HD22 LEU 46 18.246 19.050 25.766
891 HD23 LEU 46 HD23 LEU 46 17.430 19.686 24.330
892 H ALA 47 H ALA 47 14.227 20.545 22.705
893 HA ALA 47 HA ALA 47 11.548 19.560 22.041
894 HB1 ALA 47 HB1 ALA 47 11.109 21.918 22.598
895 HB2 ALA 47 HB2 ALA 47 12.409 22.446 21.512
896 HB3 ALA 47 HB3 ALA 47 10.954 21.668 20.854
897 H ILE 48 H ILE 48 11.303 19.339 19.644
898 HA ILE 48 HA ILE 48 13.801 18.515 18.328
899 HB ILE 48 HB ILE 48 10.975 18.688 17.236
900 HG12 ILE 48 HG12 ILE 48 12.370 16.072 17.899
901 HG13 ILE 48 HG13 ILE 48 11.545 16.947 19.187
902 HG21 ILE 48 HG21 ILE 48 13.498 17.386 16.126
903 HG22 ILE 48 HG22 ILE 48 11.870 17.144 15.441
904 HG23 ILE 48 HG23 ILE 48 12.603 18.740 15.415
905 HD11 ILE 48 HD11 ILE 48 9.437 16.927 17.867
906 HD12 ILE 48 HD12 ILE 48 10.256 15.958 16.614
907 HD13 ILE 48 HD13 ILE 48 10.027 15.307 18.250
908 H GLY 49 H GLY 49 15.123 19.837 17.209
909 HA2 GLY 49 HA2 GLY 49 14.238 22.603 16.527
910 HA3 GLY 49 HA3 GLY 49 15.883 22.029 16.720
911 H ARG 50 H ARG 50 15.674 19.717 15.033
912 HA ARG 50 HA ARG 50 15.116 20.664 12.278
913 HB2 ARG 50 HB2 ARG 50 17.242 21.713 12.686
914 HB3 ARG 50 HB3 ARG 50 17.895 20.268 13.438
915 HG2 ARG 50 HG2 ARG 50 17.933 19.090 11.274
916 HG3 ARG 50 HG3 ARG 50 17.253 20.519 10.474
917 HD2 ARG 50 HD2 ARG 50 19.206 21.852 11.198
918 HD3 ARG 50 HD3 ARG 50 19.839 20.451 12.089
919 HE ARG 50 HE ARG 50 19.407 20.202 9.134
920 HH11 ARG 50 HH11 ARG 50 21.779 20.880 11.628
921 HH12 ARG 50 HH12 ARG 50 23.117 20.458 10.599
922 HH21 ARG 50 HH21 ARG 50 21.175 19.373 7.984
923 HH22 ARG 50 HH22 ARG 50 22.780 19.711 8.585
924 H VAL 51 H VAL 51 14.918 19.091 10.820
925 HA VAL 51 HA VAL 51 15.646 16.280 11.476
926 HB VAL 51 HB VAL 51 12.953 17.094 10.304
927 HG11 VAL 51 HG11 VAL 51 14.096 14.388 11.118
928 HG12 VAL 51 HG12 VAL 51 12.421 14.673 10.628
929 HG13 VAL 51 HG13 VAL 51 13.733 14.934 9.470
930 HG21 VAL 51 HG21 VAL 51 12.953 17.638 12.694
931 HG22 VAL 51 HG22 VAL 51 11.941 16.250 12.371
932 HG23 VAL 51 HG23 VAL 51 13.555 16.014 13.088
933 H ASP 52 H ASP 52 17.200 15.937 9.990
934 HA ASP 52 HA ASP 52 16.886 17.070 7.224
935 HB2 ASP 52 HB2 ASP 52 18.658 18.043 8.625
936 HB3 ASP 52 HB3 ASP 52 19.406 16.462 8.791
937 H LEU 53 H LEU 53 16.031 15.497 6.022
938 HA LEU 53 HA LEU 53 16.453 12.672 6.545
939 HB2 LEU 53 HB2 LEU 53 15.019 14.059 4.239
940 HB3 LEU 53 HB3 LEU 53 14.955 12.357 4.628
941 HG LEU 53 HG LEU 53 12.946 13.212 5.323
942 HD11 LEU 53 HD11 LEU 53 13.975 11.678 6.968
943 HD12 LEU 53 HD12 LEU 53 14.592 13.068 7.884
944 HD13 LEU 53 HD13 LEU 53 12.850 12.817 7.722
945 HD21 LEU 53 HD21 LEU 53 13.513 15.624 5.402
946 HD22 LEU 53 HD22 LEU 53 12.484 15.082 6.725
947 HD23 LEU 53 HD23 LEU 53 14.200 15.390 7.021
948 H ARG 54 H ARG 54 18.177 14.967 4.632
949 HA ARG 54 HA ARG 54 19.278 13.142 2.641
950 HB2 ARG 54 HB2 ARG 54 20.702 15.550 3.820
951 HB3 ARG 54 HB3 ARG 54 20.951 14.815 2.245
952 HG2 ARG 54 HG2 ARG 54 18.670 15.627 1.543
953 HG3 ARG 54 HG3 ARG 54 18.501 16.396 3.126
954 HD2 ARG 54 HD2 ARG 54 20.868 17.462 2.518
955 HD3 ARG 54 HD3 ARG 54 20.387 17.085 0.869
956 HE ARG 54 HE ARG 54 18.852 18.829 0.943
957 HH11 ARG 54 HH11 ARG 54 18.116 20.809 1.825
958 HH12 ARG 54 HH12 ARG 54 18.265 21.040 3.562
959 HH21 ARG 54 HH21 ARG 54 19.617 18.124 4.358
960 HH22 ARG 54 HH22 ARG 54 19.155 19.751 4.796
961 H SER 55 H SER 55 20.217 14.130 5.893
962 HA SER 55 HA SER 55 22.467 12.180 6.021
963 HB2 SER 55 HB2 SER 55 21.472 14.223 8.041
964 HB3 SER 55 HB3 SER 55 22.920 13.219 8.198
965 HG SER 55 HG SER 55 22.417 15.273 6.277
966 H GLY 56 H GLY 56 19.137 12.436 7.025
967 HA2 GLY 56 HA2 GLY 56 17.746 10.915 8.088
968 HA3 GLY 56 HA3 GLY 56 19.089 9.778 8.276
969 H VAL 57 H VAL 57 19.069 13.188 9.367
970 HA VAL 57 HA VAL 57 19.526 12.207 12.167
971 HB VAL 57 HB VAL 57 20.786 14.556 10.722
972 HG11 VAL 57 HG11 VAL 57 20.418 15.231 13.057
973 HG12 VAL 57 HG12 VAL 57 21.080 13.681 13.638
974 HG13 VAL 57 HG13 VAL 57 22.123 14.862 12.811
975 HG21 VAL 57 HG21 VAL 57 21.976 12.021 11.940
976 HG22 VAL 57 HG22 VAL 57 21.791 12.332 10.202
977 HG23 VAL 57 HG23 VAL 57 22.887 13.330 11.155
978 H ILE 58 H ILE 58 18.318 12.862 13.712
979 HA ILE 58 HA ILE 58 16.549 15.273 13.485
980 HB ILE 58 HB ILE 58 16.476 12.805 15.246
981 HG12 ILE 58 HG12 ILE 58 14.133 13.747 13.598
982 HG13 ILE 58 HG13 ILE 58 15.469 12.968 12.755
983 HG21 ILE 58 HG21 ILE 58 15.845 14.707 16.673
984 HG22 ILE 58 HG22 ILE 58 14.684 15.259 15.445
985 HG23 ILE 58 HG23 ILE 58 14.444 13.724 16.305
986 HD11 ILE 58 HD11 ILE 58 13.969 11.712 15.087
987 HD12 ILE 58 HD12 ILE 58 13.756 11.324 13.366
988 HD13 ILE 58 HD13 ILE 58 15.294 10.988 14.172
989 H SER 59 H SER 59 17.335 17.054 14.475
990 HA SER 59 HA SER 59 19.330 16.771 16.688
991 HB2 SER 59 HB2 SER 59 18.707 19.235 15.071
992 HB3 SER 59 HB3 SER 59 20.002 19.028 16.255
993 HG SER 59 HG SER 59 20.986 17.547 14.870
994 H LEU 60 H LEU 60 18.599 17.036 18.671
995 HA LEU 60 HA LEU 60 16.157 18.632 19.233
996 HB2 LEU 60 HB2 LEU 60 17.848 17.092 21.187
997 HB3 LEU 60 HB3 LEU 60 16.231 17.730 21.432
998 HG LEU 60 HG LEU 60 17.035 15.391 19.640
999 HD11 LEU 60 HD11 LEU 60 15.396 15.593 22.199
1000 HD12 LEU 60 HD12 LEU 60 15.619 14.114 21.231
1001 HD13 LEU 60 HD13 LEU 60 17.006 14.871 22.024
1002 HD21 LEU 60 HD21 LEU 60 15.184 16.559 18.552
1003 HD22 LEU 60 HD22 LEU 60 14.598 15.075 19.295
1004 HD23 LEU 60 HD23 LEU 60 14.283 16.637 20.087
1005 H ILE 61 H ILE 61 16.143 20.364 20.611
1006 HA ILE 61 HA ILE 61 18.708 21.641 21.437
1007 HB ILE 61 HB ILE 61 17.806 23.849 20.705
1008 HG12 ILE 61 HG12 ILE 61 16.222 23.774 18.690
1009 HG13 ILE 61 HG13 ILE 61 15.662 22.216 19.282
1010 HG21 ILE 61 HG21 ILE 61 18.543 23.634 18.419
1011 HG22 ILE 61 HG22 ILE 61 19.516 22.549 19.428
1012 HG23 ILE 61 HG23 ILE 61 18.219 21.903 18.402
1013 HD11 ILE 61 HD11 ILE 61 14.847 23.309 21.350
1014 HD12 ILE 61 HD12 ILE 61 15.540 24.854 20.810
1015 HD13 ILE 61 HD13 ILE 61 14.208 24.111 19.910
1016 H GLU 62 H GLU 62 18.463 23.258 23.130
1017 HA GLU 62 HA GLU 62 16.503 22.457 25.149
1018 HB2 GLU 62 HB2 GLU 62 18.481 24.752 25.066
1019 HB3 GLU 62 HB3 GLU 62 17.446 24.355 26.454
1020 HG2 GLU 62 HG2 GLU 62 18.455 22.071 26.543
1021 HG3 GLU 62 HG3 GLU 62 19.573 22.530 25.241
1022 H GLU 63 H GLU 63 14.551 23.317 25.592
1023 HA GLU 63 HA GLU 63 13.318 24.684 23.426
1024 HB2 GLU 63 HB2 GLU 63 11.270 24.334 24.580
1025 HB3 GLU 63 HB3 GLU 63 12.291 22.945 24.782
1026 HG2 GLU 63 HG2 GLU 63 11.506 23.068 26.897
1027 HG3 GLU 63 HG3 GLU 63 12.972 24.014 27.095
1028 H GLN 64 H GLN 64 14.400 25.989 26.526
1029 HA GLN 64 HA GLN 64 14.422 28.665 25.364
1030 HB2 GLN 64 HB2 GLN 64 12.865 28.151 27.940
1031 HB3 GLN 64 HB3 GLN 64 13.427 29.735 27.392
1032 HG2 GLN 64 HG2 GLN 64 12.062 29.431 25.283
1033 HG3 GLN 64 HG3 GLN 64 11.337 28.005 26.027
1034 HE21 GLN 64 HE21 GLN 64 9.417 29.572 25.453
1035 HE22 GLN 64 HE22 GLN 64 8.911 30.602 26.782
1036 H ASN 65 H ASN 65 15.921 29.998 26.242
1037 HA ASN 65 HA ASN 65 17.175 29.443 28.858
1038 HB2 ASN 65 HB2 ASN 65 18.701 29.700 26.241
1039 HB3 ASN 65 HB3 ASN 65 19.442 30.062 27.803
1040 HD21 ASN 65 HD21 ASN 65 19.351 27.664 25.596
1041 HD22 ASN 65 HD22 ASN 65 19.669 26.321 26.691
1042 H ARG 66 H ARG 66 15.125 31.256 27.991
1043 HA ARG 66 HA ARG 66 16.148 33.915 27.455
1044 HB2 ARG 66 HB2 ARG 66 13.411 32.988 28.409
1045 HB3 ARG 66 HB3 ARG 66 13.810 34.617 27.882
1046 HG2 ARG 66 HG2 ARG 66 14.476 33.672 25.625
1047 HG3 ARG 66 HG3 ARG 66 13.962 32.088 26.180
1048 HD2 ARG 66 HD2 ARG 66 12.162 32.972 24.881
1049 HD3 ARG 66 HD3 ARG 66 11.655 33.005 26.574
1050 HE ARG 66 HE ARG 66 12.855 35.516 25.852
1051 HH11 ARG 66 HH11 ARG 66 9.870 33.769 25.309
1052 HH12 ARG 66 HH12 ARG 66 8.961 35.233 25.033
1053 HH21 ARG 66 HH21 ARG 66 11.655 37.320 25.484
1054 HH22 ARG 66 HH22 ARG 66 9.945 37.196 25.150
Start of MODEL 12
1 H1 GLY -3 H1 GLY -3 -0.174 0.480 -10.613
2 H2 GLY -3 H2 GLY -3 0.593 0.739 -12.024
3 H3 GLY -3 H3 GLY -3 -1.049 0.746 -11.968
4 HA2 GLY -3 HA2 GLY -3 -0.268 2.998 -12.149
5 HA3 GLY -3 HA3 GLY -3 -1.040 2.719 -10.587
6 HA PRO -2 HA PRO -2 3.072 4.765 -9.896
7 HB2 PRO -2 HB2 PRO -2 1.422 5.986 -7.689
8 HB3 PRO -2 HB3 PRO -2 2.657 6.745 -8.736
9 HG2 PRO -2 HG2 PRO -2 0.032 7.148 -9.230
10 HG3 PRO -2 HG3 PRO -2 1.143 6.793 -10.596
11 HD2 PRO -2 HD2 PRO -2 -0.687 4.871 -9.117
12 HD3 PRO -2 HD3 PRO -2 -0.473 5.100 -10.884
13 H GLY -1 H GLY -1 4.639 4.515 -8.261
14 HA2 GLY -1 HA2 GLY -1 4.342 2.175 -6.527
15 HA3 GLY -1 HA3 GLY -1 5.795 3.132 -6.800
16 H SER 0 H SER 0 3.764 5.494 -6.006
17 HA SER 0 HA SER 0 3.558 6.871 -4.229
18 HB2 SER 0 HB2 SER 0 2.879 4.328 -2.728
19 HB3 SER 0 HB3 SER 0 2.446 5.978 -2.243
20 HG SER 0 HG SER 0 1.118 6.163 -4.039
21 H MET 1 H MET 1 6.277 5.887 -4.632
22 HA MET 1 HA MET 1 7.610 5.553 -2.083
23 HB2 MET 1 HB2 MET 1 8.670 6.383 -4.810
24 HB3 MET 1 HB3 MET 1 9.667 5.967 -3.403
25 HG2 MET 1 HG2 MET 1 8.844 3.690 -3.392
26 HG3 MET 1 HG3 MET 1 7.665 4.060 -4.639
27 HE1 MET 1 HE1 MET 1 11.438 3.411 -3.830
28 HE2 MET 1 HE2 MET 1 12.231 3.684 -5.399
29 HE3 MET 1 HE3 MET 1 11.572 5.061 -4.487
30 H CYS 2 H CYS 2 8.504 7.024 -0.710
31 HA CYS 2 HA CYS 2 9.158 9.743 -1.524
32 HB2 CYS 2 HB2 CYS 2 7.801 10.868 0.184
33 HB3 CYS 2 HB3 CYS 2 6.771 10.026 -0.975
34 HG CYS 2 HG CYS 2 6.230 7.951 0.479
35 H MET 3 H MET 3 10.498 10.845 -0.032
36 HA MET 3 HA MET 3 12.152 9.176 1.718
37 HB2 MET 3 HB2 MET 3 12.163 12.179 1.198
38 HB3 MET 3 HB3 MET 3 13.350 11.305 2.153
39 HG2 MET 3 HG2 MET 3 14.340 11.651 0.039
40 HG3 MET 3 HG3 MET 3 13.956 9.948 0.169
41 HE1 MET 3 HE1 MET 3 13.062 13.381 -1.646
42 HE2 MET 3 HE2 MET 3 11.584 12.912 -2.514
43 HE3 MET 3 HE3 MET 3 11.578 13.013 -0.749
44 H ALA 4 H ALA 4 10.019 12.020 2.258
45 HA ALA 4 HA ALA 4 8.822 10.783 4.589
46 HB1 ALA 4 HB1 ALA 4 9.267 12.788 6.061
47 HB2 ALA 4 HB2 ALA 4 10.710 11.827 5.711
48 HB3 ALA 4 HB3 ALA 4 10.434 13.363 4.857
49 H LYS 5 H LYS 5 7.081 12.213 5.441
50 HA LYS 5 HA LYS 5 5.970 14.195 3.546
51 HB2 LYS 5 HB2 LYS 5 3.728 13.115 3.632
52 HB3 LYS 5 HB3 LYS 5 4.951 12.229 2.730
53 HG2 LYS 5 HG2 LYS 5 5.259 10.703 4.723
54 HG3 LYS 5 HG3 LYS 5 3.913 11.551 5.515
55 HD2 LYS 5 HD2 LYS 5 2.424 10.923 3.659
56 HD3 LYS 5 HD3 LYS 5 3.737 10.105 2.814
57 HE2 LYS 5 HE2 LYS 5 2.672 9.320 5.564
58 HE3 LYS 5 HE3 LYS 5 2.146 8.598 4.053
59 HZ1 LYS 5 HZ1 LYS 5 4.942 8.472 5.066
60 HZ2 LYS 5 HZ2 LYS 5 3.867 7.260 5.105
61 HZ3 LYS 5 HZ3 LYS 5 4.401 7.807 3.667
62 H VAL 6 H VAL 6 5.082 15.865 4.458
63 HA VAL 6 HA VAL 6 4.926 15.993 7.438
64 HB VAL 6 HB VAL 6 5.508 18.067 5.344
65 HG11 VAL 6 HG11 VAL 6 3.906 19.230 6.745
66 HG12 VAL 6 HG12 VAL 6 4.755 18.677 8.216
67 HG13 VAL 6 HG13 VAL 6 5.533 19.804 7.097
68 HG21 VAL 6 HG21 VAL 6 7.347 16.689 6.456
69 HG22 VAL 6 HG22 VAL 6 7.500 18.458 6.567
70 HG23 VAL 6 HG23 VAL 6 6.912 17.538 7.952
71 H VAL 7 H VAL 7 3.156 16.695 8.493
72 HA VAL 7 HA VAL 7 0.793 17.624 6.958
73 HB VAL 7 HB VAL 7 0.412 15.258 7.239
74 HG11 VAL 7 HG11 VAL 7 0.619 15.669 10.258
75 HG12 VAL 7 HG12 VAL 7 0.148 14.181 9.406
76 HG13 VAL 7 HG13 VAL 7 1.795 14.797 9.242
77 HG21 VAL 7 HG21 VAL 7 -1.498 16.858 7.451
78 HG22 VAL 7 HG22 VAL 7 -1.757 15.303 8.250
79 HG23 VAL 7 HG23 VAL 7 -1.363 16.738 9.220
80 H LEU 8 H LEU 8 -0.435 19.127 7.894
81 HA LEU 8 HA LEU 8 -0.054 19.967 10.676
82 HB2 LEU 8 HB2 LEU 8 0.770 22.179 10.159
83 HB3 LEU 8 HB3 LEU 8 1.846 20.963 9.502
84 HG LEU 8 HG LEU 8 0.350 21.391 7.276
85 HD11 LEU 8 HD11 LEU 8 -1.068 23.183 8.240
86 HD12 LEU 8 HD12 LEU 8 0.380 24.091 8.730
87 HD13 LEU 8 HD13 LEU 8 0.015 23.850 7.019
88 HD21 LEU 8 HD21 LEU 8 2.654 23.157 8.142
89 HD22 LEU 8 HD22 LEU 8 2.792 21.532 7.426
90 HD23 LEU 8 HD23 LEU 8 2.104 22.858 6.477
91 H THR 9 H THR 9 -1.483 21.746 11.279
92 HA THR 9 HA THR 9 -3.755 22.293 9.418
93 HB THR 9 HB THR 9 -4.053 22.036 12.433
94 HG1 THR 9 HG1 THR 9 -3.766 20.012 11.525
95 HG21 THR 9 HG21 THR 9 -6.088 22.380 10.178
96 HG22 THR 9 HG22 THR 9 -6.483 22.057 11.880
97 HG23 THR 9 HG23 THR 9 -5.698 23.572 11.437
98 H LYS 10 H LYS 10 -3.974 24.346 8.953
99 HA LYS 10 HA LYS 10 -2.260 26.412 10.072
100 HB2 LYS 10 HB2 LYS 10 -4.633 26.453 8.177
101 HB3 LYS 10 HB3 LYS 10 -3.612 27.862 8.514
102 HG2 LYS 10 HG2 LYS 10 -1.648 26.655 7.607
103 HG3 LYS 10 HG3 LYS 10 -2.687 25.282 7.172
104 HD2 LYS 10 HD2 LYS 10 -3.097 28.150 6.198
105 HD3 LYS 10 HD3 LYS 10 -2.233 26.921 5.274
106 HE2 LYS 10 HE2 LYS 10 -4.149 25.652 4.846
107 HE3 LYS 10 HE3 LYS 10 -5.028 26.299 6.229
108 HZ1 LYS 10 HZ1 LYS 10 -5.801 27.204 4.089
109 HZ2 LYS 10 HZ2 LYS 10 -5.343 28.356 5.147
110 HZ3 LYS 10 HZ3 LYS 10 -4.361 27.951 3.884
111 H ALA 11 H ALA 11 -3.044 28.479 10.883
112 HA ALA 11 HA ALA 11 -4.805 28.309 13.122
113 HB1 ALA 11 HB1 ALA 11 -3.774 30.748 11.606
114 HB2 ALA 11 HB2 ALA 11 -4.438 30.742 13.256
115 HB3 ALA 11 HB3 ALA 11 -2.919 29.890 12.913
116 H ASP 12 H ASP 12 -5.522 29.030 9.744
117 HA ASP 12 HA ASP 12 -8.212 30.062 10.280
118 HB2 ASP 12 HB2 ASP 12 -8.439 30.164 7.899
119 HB3 ASP 12 HB3 ASP 12 -6.894 30.851 8.373
120 H GLY 13 H GLY 13 -7.015 27.042 10.688
121 HA2 GLY 13 HA2 GLY 13 -8.195 25.141 11.304
122 HA3 GLY 13 HA3 GLY 13 -9.656 25.737 10.508
123 H GLY 14 H GLY 14 -7.304 26.101 8.174
124 HA2 GLY 14 HA2 GLY 14 -8.233 23.835 6.645
125 HA3 GLY 14 HA3 GLY 14 -7.004 25.000 6.164
126 H ARG 15 H ARG 15 -7.462 21.836 6.619
127 HA ARG 15 HA ARG 15 -4.868 21.008 7.710
128 HB2 ARG 15 HB2 ARG 15 -7.274 19.678 6.506
129 HB3 ARG 15 HB3 ARG 15 -5.754 18.842 6.278
130 HG2 ARG 15 HG2 ARG 15 -6.582 19.852 9.023
131 HG3 ARG 15 HG3 ARG 15 -7.167 18.299 8.395
132 HD2 ARG 15 HD2 ARG 15 -4.236 19.059 8.751
133 HD3 ARG 15 HD3 ARG 15 -5.164 18.082 9.872
134 HE ARG 15 HE ARG 15 -4.213 17.303 7.160
135 HH11 ARG 15 HH11 ARG 15 -6.016 16.208 9.982
136 HH12 ARG 15 HH12 ARG 15 -5.978 14.557 9.421
137 HH21 ARG 15 HH21 ARG 15 -4.273 15.359 6.527
138 HH22 ARG 15 HH22 ARG 15 -5.008 14.051 7.467
139 H VAL 16 H VAL 16 -3.084 20.428 6.699
140 HA VAL 16 HA VAL 16 -2.807 20.727 3.732
141 HB VAL 16 HB VAL 16 -1.147 22.184 5.815
142 HG11 VAL 16 HG11 VAL 16 0.353 21.434 4.039
143 HG12 VAL 16 HG12 VAL 16 -0.758 22.081 2.797
144 HG13 VAL 16 HG13 VAL 16 0.095 23.174 3.903
145 HG21 VAL 16 HG21 VAL 16 -3.203 23.412 5.371
146 HG22 VAL 16 HG22 VAL 16 -1.849 24.243 4.615
147 HG23 VAL 16 HG23 VAL 16 -2.942 23.267 3.614
148 H GLU 17 H GLU 17 -1.380 19.372 2.812
149 HA GLU 17 HA GLU 17 0.510 17.814 4.504
150 HB2 GLU 17 HB2 GLU 17 -1.197 16.673 2.253
151 HB3 GLU 17 HB3 GLU 17 0.137 15.860 3.059
152 HG2 GLU 17 HG2 GLU 17 -1.717 14.953 4.081
153 HG3 GLU 17 HG3 GLU 17 -1.091 16.114 5.246
154 H ILE 18 H ILE 18 2.472 17.305 3.576
155 HA ILE 18 HA ILE 18 3.128 18.406 0.868
156 HB ILE 18 HB ILE 18 4.796 18.722 3.378
157 HG12 ILE 18 HG12 ILE 18 3.481 20.971 1.807
158 HG13 ILE 18 HG13 ILE 18 2.783 20.278 3.266
159 HG21 ILE 18 HG21 ILE 18 6.178 18.421 1.344
160 HG22 ILE 18 HG22 ILE 18 5.301 19.745 0.561
161 HG23 ILE 18 HG23 ILE 18 6.334 20.044 1.975
162 HD11 ILE 18 HD11 ILE 18 5.418 21.745 3.157
163 HD12 ILE 18 HD12 ILE 18 3.911 22.233 3.930
164 HD13 ILE 18 HD13 ILE 18 4.798 20.853 4.572
165 H GLY 19 H GLY 19 3.845 16.779 -0.350
166 HA2 GLY 19 HA2 GLY 19 4.998 14.311 0.831
167 HA3 GLY 19 HA3 GLY 19 4.473 14.544 -0.831
168 H ASP 20 H ASP 20 6.797 13.282 -0.339
169 HA ASP 20 HA ASP 20 8.994 13.173 -0.825
170 HB2 ASP 20 HB2 ASP 20 8.323 15.286 -2.873
171 HB3 ASP 20 HB3 ASP 20 9.689 14.171 -2.878
172 H VAL 21 H VAL 21 8.738 14.531 1.453
173 HA VAL 21 HA VAL 21 10.166 17.051 1.538
174 HB VAL 21 HB VAL 21 9.291 15.109 3.694
175 HG11 VAL 21 HG11 VAL 21 10.536 17.855 4.021
176 HG12 VAL 21 HG12 VAL 21 9.645 16.987 5.282
177 HG13 VAL 21 HG13 VAL 21 11.139 16.317 4.658
178 HG21 VAL 21 HG21 VAL 21 7.467 16.217 2.464
179 HG22 VAL 21 HG22 VAL 21 7.566 16.802 4.123
180 HG23 VAL 21 HG23 VAL 21 8.197 17.807 2.808
181 H LEU 22 H LEU 22 12.238 17.494 1.758
182 HA LEU 22 HA LEU 22 14.253 15.308 2.144
183 HB2 LEU 22 HB2 LEU 22 14.506 18.172 1.167
184 HB3 LEU 22 HB3 LEU 22 15.842 17.043 1.345
185 HG LEU 22 HG LEU 22 13.509 16.715 -0.585
186 HD11 LEU 22 HD11 LEU 22 15.043 18.553 -1.187
187 HD12 LEU 22 HD12 LEU 22 16.431 17.452 -1.052
188 HD13 LEU 22 HD13 LEU 22 15.199 17.186 -2.304
189 HD21 LEU 22 HD21 LEU 22 14.382 14.510 0.063
190 HD22 LEU 22 HD22 LEU 22 14.922 14.906 -1.576
191 HD23 LEU 22 HD23 LEU 22 16.050 15.057 -0.220
192 H GLU 23 H GLU 23 13.109 18.360 3.574
193 HA GLU 23 HA GLU 23 14.656 17.884 6.031
194 HB2 GLU 23 HB2 GLU 23 16.296 18.907 4.526
195 HB3 GLU 23 HB3 GLU 23 15.187 20.243 4.181
196 HG2 GLU 23 HG2 GLU 23 15.352 21.051 6.477
197 HG3 GLU 23 HG3 GLU 23 16.264 19.612 6.954
198 H VAL 24 H VAL 24 13.856 18.946 7.797
199 HA VAL 24 HA VAL 24 11.809 21.072 7.500
200 HB VAL 24 HB VAL 24 11.431 18.781 9.441
201 HG11 VAL 24 HG11 VAL 24 10.363 20.867 10.156
202 HG12 VAL 24 HG12 VAL 24 9.528 20.986 8.605
203 HG13 VAL 24 HG13 VAL 24 9.158 19.661 9.712
204 HG21 VAL 24 HG21 VAL 24 11.101 17.763 7.303
205 HG22 VAL 24 HG22 VAL 24 9.523 18.042 8.036
206 HG23 VAL 24 HG23 VAL 24 10.096 19.110 6.740
207 H ARG 25 H ARG 25 11.999 22.664 9.042
208 HA ARG 25 HA ARG 25 13.907 22.316 11.322
209 HB2 ARG 25 HB2 ARG 25 13.869 24.687 9.403
210 HB3 ARG 25 HB3 ARG 25 14.822 24.567 10.880
211 HG2 ARG 25 HG2 ARG 25 16.050 22.617 9.907
212 HG3 ARG 25 HG3 ARG 25 15.136 22.833 8.396
213 HD2 ARG 25 HD2 ARG 25 16.001 25.191 8.283
214 HD3 ARG 25 HD3 ARG 25 16.993 24.856 9.716
215 HE ARG 25 HE ARG 25 17.482 22.889 7.643
216 HH11 ARG 25 HH11 ARG 25 18.304 26.238 8.347
217 HH12 ARG 25 HH12 ARG 25 19.750 26.149 7.370
218 HH21 ARG 25 HH21 ARG 25 19.197 22.862 6.457
219 HH22 ARG 25 HH22 ARG 25 20.261 24.258 6.293
220 H ALA 26 H ALA 26 13.473 23.520 13.159
221 HA ALA 26 HA ALA 26 11.020 25.223 13.177
222 HB1 ALA 26 HB1 ALA 26 10.572 23.062 14.278
223 HB2 ALA 26 HB2 ALA 26 11.954 23.322 15.358
224 HB3 ALA 26 HB3 ALA 26 10.550 24.415 15.424
225 H GLU 27 H GLU 27 11.216 27.174 14.155
226 HA GLU 27 HA GLU 27 13.637 27.845 15.748
227 HB2 GLU 27 HB2 GLU 27 14.216 28.110 13.311
228 HB3 GLU 27 HB3 GLU 27 12.958 29.346 13.193
229 HG2 GLU 27 HG2 GLU 27 14.145 30.664 14.959
230 HG3 GLU 27 HG3 GLU 27 15.378 29.398 15.049
231 H GLY 28 H GLY 28 12.982 28.949 17.464
232 HA2 GLY 28 HA2 GLY 28 11.878 30.397 18.860
233 HA3 GLY 28 HA3 GLY 28 11.326 31.273 17.432
234 H GLY 29 H GLY 29 9.451 30.513 16.354
235 HA2 GLY 29 HA2 GLY 29 7.571 28.661 17.649
236 HA3 GLY 29 HA3 GLY 29 7.058 30.355 17.635
237 H ALA 30 H ALA 30 8.971 28.859 15.028
238 HA ALA 30 HA ALA 30 6.609 28.610 13.248
239 HB1 ALA 30 HB1 ALA 30 9.134 30.208 12.610
240 HB2 ALA 30 HB2 ALA 30 7.783 29.891 11.488
241 HB3 ALA 30 HB3 ALA 30 7.529 30.898 12.927
242 H VAL 31 H VAL 31 6.957 27.274 11.416
243 HA VAL 31 HA VAL 31 9.406 25.548 11.461
244 HB VAL 31 HB VAL 31 6.550 24.668 10.994
245 HG11 VAL 31 HG11 VAL 31 7.545 22.373 10.676
246 HG12 VAL 31 HG12 VAL 31 7.894 23.464 9.337
247 HG13 VAL 31 HG13 VAL 31 9.140 23.103 10.559
248 HG21 VAL 31 HG21 VAL 31 7.325 24.808 13.358
249 HG22 VAL 31 HG22 VAL 31 7.046 23.133 12.863
250 HG23 VAL 31 HG23 VAL 31 8.706 23.777 12.974
251 H ARG 32 H ARG 32 10.377 25.044 9.618
252 HA ARG 32 HA ARG 32 9.356 26.106 7.006
253 HB2 ARG 32 HB2 ARG 32 12.211 26.110 8.071
254 HB3 ARG 32 HB3 ARG 32 11.790 26.356 6.386
255 HG2 ARG 32 HG2 ARG 32 12.289 28.455 7.399
256 HG3 ARG 32 HG3 ARG 32 10.598 28.418 6.898
257 HD2 ARG 32 HD2 ARG 32 9.805 28.443 9.085
258 HD3 ARG 32 HD3 ARG 32 11.260 27.717 9.757
259 HE ARG 32 HE ARG 32 10.771 30.573 9.171
260 HH11 ARG 32 HH11 ARG 32 13.263 28.226 10.089
261 HH12 ARG 32 HH12 ARG 32 14.158 29.484 10.943
262 HH21 ARG 32 HH21 ARG 32 12.107 32.037 10.296
263 HH22 ARG 32 HH22 ARG 32 13.576 31.403 11.040
264 H VAL 33 H VAL 33 9.712 24.731 5.217
265 HA VAL 33 HA VAL 33 11.147 22.201 5.594
266 HB VAL 33 HB VAL 33 9.376 21.198 6.430
267 HG11 VAL 33 HG11 VAL 33 7.001 21.581 6.005
268 HG12 VAL 33 HG12 VAL 33 7.819 22.990 6.652
269 HG13 VAL 33 HG13 VAL 33 7.420 22.924 4.917
270 HG21 VAL 33 HG21 VAL 33 9.787 20.005 4.314
271 HG22 VAL 33 HG22 VAL 33 8.126 19.859 4.843
272 HG23 VAL 33 HG23 VAL 33 8.505 20.977 3.528
273 H THR 34 H THR 34 11.786 21.139 3.819
274 HA THR 34 HA THR 34 11.436 22.509 1.173
275 HB THR 34 HB THR 34 14.011 21.437 2.379
276 HG1 THR 34 HG1 THR 34 13.208 24.100 1.807
277 HG21 THR 34 HG21 THR 34 15.099 22.656 0.461
278 HG22 THR 34 HG22 THR 34 14.183 21.220 -0.024
279 HG23 THR 34 HG23 THR 34 13.486 22.846 -0.276
280 H THR 35 H THR 35 11.498 21.267 -0.661
281 HA THR 35 HA THR 35 11.110 18.314 -0.270
282 HB THR 35 HB THR 35 9.328 18.407 -1.874
283 HG1 THR 35 HG1 THR 35 9.743 21.206 -1.941
284 HG21 THR 35 HG21 THR 35 8.694 18.882 0.471
285 HG22 THR 35 HG22 THR 35 8.862 20.627 0.160
286 HG23 THR 35 HG23 THR 35 7.630 19.673 -0.707
287 H LEU 36 H LEU 36 11.167 17.015 -2.171
288 HA LEU 36 HA LEU 36 13.488 17.008 -3.736
289 HB2 LEU 36 HB2 LEU 36 12.138 15.103 -3.296
290 HB3 LEU 36 HB3 LEU 36 10.710 15.809 -4.017
291 HG LEU 36 HG LEU 36 13.056 15.377 -5.848
292 HD11 LEU 36 HD11 LEU 36 12.991 13.287 -4.562
293 HD12 LEU 36 HD12 LEU 36 11.253 13.131 -4.890
294 HD13 LEU 36 HD13 LEU 36 12.416 13.040 -6.226
295 HD21 LEU 36 HD21 LEU 36 10.038 14.888 -6.109
296 HD22 LEU 36 HD22 LEU 36 10.881 16.332 -6.696
297 HD23 LEU 36 HD23 LEU 36 11.231 14.763 -7.422
298 H PHE 37 H PHE 37 10.470 18.701 -4.410
299 HA PHE 37 HA PHE 37 10.987 19.212 -7.213
300 HB2 PHE 37 HB2 PHE 37 9.078 20.644 -5.333
301 HB3 PHE 37 HB3 PHE 37 8.979 20.557 -7.089
302 HD1 PHE 37 HD1 PHE 37 8.843 18.073 -8.088
303 HD2 PHE 37 HD2 PHE 37 7.793 19.146 -4.040
304 HE1 PHE 37 HE1 PHE 37 7.432 16.037 -7.908
305 HE2 PHE 37 HE2 PHE 37 6.396 17.101 -3.864
306 HZ PHE 37 HZ PHE 37 6.212 15.549 -5.800
307 H ASP 38 H ASP 38 12.690 20.375 -4.676
308 HA ASP 38 HA ASP 38 13.880 22.132 -4.093
309 HB2 ASP 38 HB2 ASP 38 14.723 21.922 -6.467
310 HB3 ASP 38 HB3 ASP 38 13.654 23.261 -6.900
311 H GLU 39 H GLU 39 10.891 22.157 -4.049
312 HA GLU 39 HA GLU 39 10.282 25.038 -3.804
313 HB2 GLU 39 HB2 GLU 39 8.686 23.371 -4.878
314 HB3 GLU 39 HB3 GLU 39 8.456 22.671 -3.281
315 HG2 GLU 39 HG2 GLU 39 6.647 24.193 -3.752
316 HG3 GLU 39 HG3 GLU 39 7.620 24.854 -2.438
317 H GLU 40 H GLU 40 9.781 26.035 -1.866
318 HA GLU 40 HA GLU 40 10.362 24.590 0.671
319 HB2 GLU 40 HB2 GLU 40 12.437 25.488 0.013
320 HB3 GLU 40 HB3 GLU 40 11.762 27.042 -0.437
321 HG2 GLU 40 HG2 GLU 40 11.537 26.078 2.424
322 HG3 GLU 40 HG3 GLU 40 13.086 26.669 1.831
323 H HIS 41 H HIS 41 9.241 25.194 2.383
324 HA HIS 41 HA HIS 41 7.070 27.237 2.062
325 HB2 HIS 41 HB2 HIS 41 6.830 24.513 3.359
326 HB3 HIS 41 HB3 HIS 41 5.531 25.645 2.994
327 HD2 HIS 41 HD2 HIS 41 7.557 22.788 1.531
328 HE1 HIS 41 HE1 HIS 41 5.042 24.121 -1.644
329 HE2 HIS 41 HE2 HIS 41 6.654 22.300 -0.893
330 H ALA 42 H ALA 42 6.231 28.146 3.987
331 HA ALA 42 HA ALA 42 7.666 27.639 6.539
332 HB1 ALA 42 HB1 ALA 42 7.897 30.060 6.935
333 HB2 ALA 42 HB2 ALA 42 8.809 29.540 5.492
334 HB3 ALA 42 HB3 ALA 42 7.262 30.394 5.306
335 H PHE 43 H PHE 43 6.461 27.778 8.320
336 HA PHE 43 HA PHE 43 3.604 28.625 8.182
337 HB2 PHE 43 HB2 PHE 43 4.675 26.000 9.239
338 HB3 PHE 43 HB3 PHE 43 2.997 26.557 9.311
339 HD1 PHE 43 HD1 PHE 43 1.691 26.850 7.151
340 HD2 PHE 43 HD2 PHE 43 5.558 24.941 7.272
341 HE1 PHE 43 HE1 PHE 43 1.290 25.886 4.895
342 HE2 PHE 43 HE2 PHE 43 5.165 23.997 5.022
343 HZ PHE 43 HZ PHE 43 3.046 24.484 3.813
344 HA PRO 44 HA PRO 44 5.402 30.323 12.072
345 HB2 PRO 44 HB2 PRO 44 3.892 32.609 12.183
346 HB3 PRO 44 HB3 PRO 44 5.400 32.459 11.229
347 HG2 PRO 44 HG2 PRO 44 2.537 32.171 10.264
348 HG3 PRO 44 HG3 PRO 44 3.880 33.094 9.509
349 HD2 PRO 44 HD2 PRO 44 3.149 30.607 8.693
350 HD3 PRO 44 HD3 PRO 44 4.850 31.138 8.653
351 H GLY 45 H GLY 45 4.578 30.275 14.140
352 HA2 GLY 45 HA2 GLY 45 2.993 30.008 15.853
353 HA3 GLY 45 HA3 GLY 45 1.722 29.698 14.680
354 H LEU 46 H LEU 46 4.246 27.760 13.694
355 HA LEU 46 HA LEU 46 3.185 25.408 15.195
356 HB2 LEU 46 HB2 LEU 46 4.647 25.467 12.529
357 HB3 LEU 46 HB3 LEU 46 3.993 24.055 13.330
358 HG LEU 46 HG LEU 46 2.404 26.336 12.096
359 HD11 LEU 46 HD11 LEU 46 2.474 23.348 11.538
360 HD12 LEU 46 HD12 LEU 46 1.621 24.594 10.603
361 HD13 LEU 46 HD13 LEU 46 3.390 24.551 10.624
362 HD21 LEU 46 HD21 LEU 46 1.397 23.918 13.665
363 HD22 LEU 46 HD22 LEU 46 1.172 25.631 14.096
364 HD23 LEU 46 HD23 LEU 46 0.384 24.969 12.660
365 H ALA 47 H ALA 47 4.540 23.671 15.664
366 HA ALA 47 HA ALA 47 7.476 23.986 15.599
367 HB1 ALA 47 HB1 ALA 47 5.909 23.121 18.075
368 HB2 ALA 47 HB2 ALA 47 7.673 23.064 17.889
369 HB3 ALA 47 HB3 ALA 47 6.831 24.632 17.898
370 H ILE 48 H ILE 48 8.553 21.843 15.650
371 HA ILE 48 HA ILE 48 7.039 19.784 14.229
372 HB ILE 48 HB ILE 48 9.856 19.717 15.349
373 HG12 ILE 48 HG12 ILE 48 9.102 19.925 12.406
374 HG13 ILE 48 HG13 ILE 48 9.275 21.365 13.392
375 HG21 ILE 48 HG21 ILE 48 8.382 17.776 13.495
376 HG22 ILE 48 HG22 ILE 48 10.123 17.724 13.822
377 HG23 ILE 48 HG23 ILE 48 8.991 17.429 15.124
378 HD11 ILE 48 HD11 ILE 48 11.355 20.992 12.261
379 HD12 ILE 48 HD12 ILE 48 11.618 20.677 13.975
380 HD13 ILE 48 HD13 ILE 48 11.450 19.317 12.839
381 H GLY 49 H GLY 49 5.678 18.438 15.205
382 HA2 GLY 49 HA2 GLY 49 5.653 18.205 18.139
383 HA3 GLY 49 HA3 GLY 49 4.399 17.721 16.999
384 H ARG 50 H ARG 50 5.577 15.935 15.343
385 HA ARG 50 HA ARG 50 6.868 13.789 16.941
386 HB2 ARG 50 HB2 ARG 50 4.573 13.508 17.576
387 HB3 ARG 50 HB3 ARG 50 4.006 13.729 15.927
388 HG2 ARG 50 HG2 ARG 50 4.884 11.582 15.247
389 HG3 ARG 50 HG3 ARG 50 5.683 11.347 16.819
390 HD2 ARG 50 HD2 ARG 50 3.557 11.195 17.956
391 HD3 ARG 50 HD3 ARG 50 2.683 11.730 16.501
392 HE ARG 50 HE ARG 50 4.143 9.413 15.797
393 HH11 ARG 50 HH11 ARG 50 1.471 10.083 17.978
394 HH12 ARG 50 HH12 ARG 50 0.735 8.531 17.680
395 HH21 ARG 50 HH21 ARG 50 3.070 7.609 15.309
396 HH22 ARG 50 HH22 ARG 50 1.647 7.128 16.225
397 H VAL 51 H VAL 51 7.810 12.210 15.822
398 HA VAL 51 HA VAL 51 7.776 12.256 12.839
399 HB VAL 51 HB VAL 51 10.312 12.235 14.510
400 HG11 VAL 51 HG11 VAL 51 11.420 12.492 12.271
401 HG12 VAL 51 HG12 VAL 51 10.625 10.928 12.488
402 HG13 VAL 51 HG13 VAL 51 9.843 12.190 11.510
403 HG21 VAL 51 HG21 VAL 51 9.373 14.503 14.480
404 HG22 VAL 51 HG22 VAL 51 10.832 14.406 13.506
405 HG23 VAL 51 HG23 VAL 51 9.247 14.441 12.707
406 H ASP 52 H ASP 52 7.217 10.269 12.216
407 HA ASP 52 HA ASP 52 8.008 7.885 13.862
408 HB2 ASP 52 HB2 ASP 52 5.783 8.185 11.818
409 HB3 ASP 52 HB3 ASP 52 6.239 6.689 12.612
410 H LEU 53 H LEU 53 9.991 7.245 13.109
411 HA LEU 53 HA LEU 53 10.756 7.308 10.309
412 HB2 LEU 53 HB2 LEU 53 11.970 5.800 12.668
413 HB3 LEU 53 HB3 LEU 53 12.674 5.943 11.079
414 HG LEU 53 HG LEU 53 13.866 7.405 12.403
415 HD11 LEU 53 HD11 LEU 53 13.237 8.363 10.213
416 HD12 LEU 53 HD12 LEU 53 11.874 9.207 10.985
417 HD13 LEU 53 HD13 LEU 53 13.543 9.596 11.440
418 HD21 LEU 53 HD21 LEU 53 13.052 9.132 13.834
419 HD22 LEU 53 HD22 LEU 53 11.371 8.806 13.412
420 HD23 LEU 53 HD23 LEU 53 12.305 7.604 14.318
421 H ARG 54 H ARG 54 8.867 5.151 12.170
422 HA ARG 54 HA ARG 54 9.004 2.730 10.618
423 HB2 ARG 54 HB2 ARG 54 6.764 3.972 12.277
424 HB3 ARG 54 HB3 ARG 54 6.763 2.308 11.672
425 HG2 ARG 54 HG2 ARG 54 8.838 1.845 12.963
426 HG3 ARG 54 HG3 ARG 54 8.803 3.474 13.625
427 HD2 ARG 54 HD2 ARG 54 6.664 1.353 14.069
428 HD3 ARG 54 HD3 ARG 54 7.919 1.806 15.202
429 HE ARG 54 HE ARG 54 6.867 3.904 15.617
430 HH11 ARG 54 HH11 ARG 54 5.067 5.071 15.961
431 HH12 ARG 54 HH12 ARG 54 3.592 4.703 15.087
432 HH21 ARG 54 HH21 ARG 54 4.876 1.977 13.450
433 HH22 ARG 54 HH22 ARG 54 3.474 2.967 13.758
434 H SER 55 H SER 55 7.569 5.798 9.834
435 HA SER 55 HA SER 55 6.328 4.641 7.371
436 HB2 SER 55 HB2 SER 55 4.635 4.763 9.164
437 HB3 SER 55 HB3 SER 55 4.898 6.501 9.303
438 HG SER 55 HG SER 55 3.084 5.864 7.958
439 H GLY 56 H GLY 56 8.158 7.210 8.751
440 HA2 GLY 56 HA2 GLY 56 9.236 8.980 7.716
441 HA3 GLY 56 HA3 GLY 56 8.417 8.623 6.187
442 H VAL 57 H VAL 57 6.373 8.936 8.994
443 HA VAL 57 HA VAL 57 5.157 11.377 7.859
444 HB VAL 57 HB VAL 57 4.337 9.582 10.164
445 HG11 VAL 57 HG11 VAL 57 3.527 11.842 10.707
446 HG12 VAL 57 HG12 VAL 57 2.921 12.049 9.046
447 HG13 VAL 57 HG13 VAL 57 2.181 10.858 10.145
448 HG21 VAL 57 HG21 VAL 57 3.074 10.110 7.440
449 HG22 VAL 57 HG22 VAL 57 4.039 8.676 7.861
450 HG23 VAL 57 HG23 VAL 57 2.494 8.969 8.677
451 H ILE 58 H ILE 58 5.423 13.350 8.553
452 HA ILE 58 HA ILE 58 6.655 13.909 11.224
453 HB ILE 58 HB ILE 58 6.977 15.357 8.583
454 HG12 ILE 58 HG12 ILE 58 9.113 14.128 10.363
455 HG13 ILE 58 HG13 ILE 58 8.399 13.294 8.989
456 HG21 ILE 58 HG21 ILE 58 7.940 16.184 11.363
457 HG22 ILE 58 HG22 ILE 58 8.434 16.970 9.845
458 HG23 ILE 58 HG23 ILE 58 6.765 17.056 10.349
459 HD11 ILE 58 HD11 ILE 58 10.092 15.803 8.876
460 HD12 ILE 58 HD12 ILE 58 10.477 14.192 8.251
461 HD13 ILE 58 HD13 ILE 58 9.189 15.137 7.485
462 H SER 59 H SER 59 5.045 14.529 12.532
463 HA SER 59 HA SER 59 2.707 16.074 11.499
464 HB2 SER 59 HB2 SER 59 3.174 14.804 14.210
465 HB3 SER 59 HB3 SER 59 1.669 15.565 13.654
466 HG SER 59 HG SER 59 1.426 13.927 12.130
467 H LEU 60 H LEU 60 2.740 18.214 11.667
468 HA LEU 60 HA LEU 60 4.412 19.568 13.742
469 HB2 LEU 60 HB2 LEU 60 2.757 20.860 11.573
470 HB3 LEU 60 HB3 LEU 60 4.000 21.591 12.592
471 HG LEU 60 HG LEU 60 4.425 19.560 10.363
472 HD11 LEU 60 HD11 LEU 60 5.629 21.420 9.282
473 HD12 LEU 60 HD12 LEU 60 3.948 21.861 9.622
474 HD13 LEU 60 HD13 LEU 60 5.240 22.485 10.652
475 HD21 LEU 60 HD21 LEU 60 6.103 19.128 12.102
476 HD22 LEU 60 HD22 LEU 60 6.861 19.950 10.741
477 HD23 LEU 60 HD23 LEU 60 6.460 20.864 12.220
478 H ILE 61 H ILE 61 3.543 21.045 15.188
479 HA ILE 61 HA ILE 61 0.602 20.960 15.712
480 HB ILE 61 HB ILE 61 1.021 20.672 18.106
481 HG12 ILE 61 HG12 ILE 61 3.253 19.414 18.663
482 HG13 ILE 61 HG13 ILE 61 3.930 20.306 17.324
483 HG21 ILE 61 HG21 ILE 61 0.361 18.800 16.633
484 HG22 ILE 61 HG22 ILE 61 2.064 18.339 16.461
485 HG23 ILE 61 HG23 ILE 61 1.286 18.270 18.039
486 HD11 ILE 61 HD11 ILE 61 3.384 22.431 18.500
487 HD12 ILE 61 HD12 ILE 61 2.576 21.508 19.787
488 HD13 ILE 61 HD13 ILE 61 4.326 21.359 19.530
489 H GLU 62 H GLU 62 -0.248 22.729 16.881
490 HA GLU 62 HA GLU 62 1.028 25.276 16.432
491 HB2 GLU 62 HB2 GLU 62 -1.265 24.646 18.330
492 HB3 GLU 62 HB3 GLU 62 -0.781 26.214 17.708
493 HG2 GLU 62 HG2 GLU 62 -2.465 25.850 16.259
494 HG3 GLU 62 HG3 GLU 62 -1.205 25.046 15.330
495 H GLU 63 H GLU 63 2.470 26.361 17.603
496 HA GLU 63 HA GLU 63 4.062 24.769 19.252
497 HB2 GLU 63 HB2 GLU 63 5.608 26.595 19.268
498 HB3 GLU 63 HB3 GLU 63 4.813 26.498 17.721
499 HG2 GLU 63 HG2 GLU 63 4.764 28.748 17.980
500 HG3 GLU 63 HG3 GLU 63 3.192 28.353 18.641
501 H GLN 64 H GLN 64 1.703 27.122 20.323
502 HA GLN 64 HA GLN 64 1.946 26.083 23.077
503 HB2 GLN 64 HB2 GLN 64 1.978 29.058 22.408
504 HB3 GLN 64 HB3 GLN 64 1.498 28.431 23.986
505 HG2 GLN 64 HG2 GLN 64 3.684 27.379 24.325
506 HG3 GLN 64 HG3 GLN 64 4.203 27.902 22.723
507 HE21 GLN 64 HE21 GLN 64 4.152 30.345 22.306
508 HE22 GLN 64 HE22 GLN 64 4.595 31.367 23.689
509 H ASN 65 H ASN 65 0.015 26.085 24.225
510 HA ASN 65 HA ASN 65 -2.451 26.515 22.588
511 HB2 ASN 65 HB2 ASN 65 -1.984 24.140 24.405
512 HB3 ASN 65 HB3 ASN 65 -3.245 24.363 23.201
513 HD21 ASN 65 HD21 ASN 65 -1.667 25.150 20.942
514 HD22 ASN 65 HD22 ASN 65 -0.537 23.856 20.567
515 H ARG 66 H ARG 66 -1.351 28.227 24.668
516 HA ARG 66 HA ARG 66 -2.628 27.887 27.215
517 HB2 ARG 66 HB2 ARG 66 -1.505 30.419 25.942
518 HB3 ARG 66 HB3 ARG 66 -1.898 30.197 27.660
519 HG2 ARG 66 HG2 ARG 66 -0.182 28.379 27.800
520 HG3 ARG 66 HG3 ARG 66 0.236 28.663 26.096
521 HD2 ARG 66 HD2 ARG 66 0.712 31.071 26.701
522 HD3 ARG 66 HD3 ARG 66 0.548 30.635 28.400
523 HE ARG 66 HE ARG 66 2.757 30.006 26.570
524 HH11 ARG 66 HH11 ARG 66 1.384 29.029 29.671
525 HH12 ARG 66 HH12 ARG 66 2.877 28.244 30.130
526 HH21 ARG 66 HH21 ARG 66 4.506 29.024 27.199
527 HH22 ARG 66 HH22 ARG 66 4.626 28.247 28.772
528 H1 GLY -3 H1 GLY -3 23.726 -4.924 -0.813
529 H2 GLY -3 H2 GLY -3 25.262 -5.164 -1.320
530 H3 GLY -3 H3 GLY -3 24.985 -4.486 0.143
531 HA2 GLY -3 HA2 GLY -3 24.308 -7.255 -0.618
532 HA3 GLY -3 HA3 GLY -3 25.667 -6.776 0.414
533 HA PRO -2 HA PRO -2 21.979 -7.897 3.017
534 HB2 PRO -2 HB2 PRO -2 24.207 -9.147 4.617
535 HB3 PRO -2 HB3 PRO -2 22.552 -9.757 4.310
536 HG2 PRO -2 HG2 PRO -2 24.646 -10.768 2.921
537 HG3 PRO -2 HG3 PRO -2 23.134 -10.355 2.047
538 HD2 PRO -2 HD2 PRO -2 25.661 -8.689 2.296
539 HD3 PRO -2 HD3 PRO -2 24.718 -9.092 0.825
540 H GLY -1 H GLY -1 21.246 -6.997 4.931
541 HA2 GLY -1 HA2 GLY -1 22.571 -5.972 7.121
542 HA3 GLY -1 HA3 GLY -1 22.550 -4.617 5.987
543 H SER 0 H SER 0 21.206 -4.863 8.582
544 HA SER 0 HA SER 0 18.355 -5.188 8.172
545 HB2 SER 0 HB2 SER 0 19.462 -5.479 10.351
546 HB3 SER 0 HB3 SER 0 19.858 -3.751 10.385
547 HG SER 0 HG SER 0 17.933 -4.295 11.547
548 H MET 1 H MET 1 20.491 -2.350 8.314
549 HA MET 1 HA MET 1 20.320 -0.188 7.687
550 HB2 MET 1 HB2 MET 1 18.461 -1.201 5.516
551 HB3 MET 1 HB3 MET 1 19.483 0.231 5.484
552 HG2 MET 1 HG2 MET 1 20.365 -2.660 5.450
553 HG3 MET 1 HG3 MET 1 20.495 -1.487 4.151
554 HE1 MET 1 HE1 MET 1 22.207 0.507 4.051
555 HE2 MET 1 HE2 MET 1 21.700 1.152 5.633
556 HE3 MET 1 HE3 MET 1 23.419 0.852 5.305
557 H CYS 2 H CYS 2 18.256 1.327 6.476
558 HA CYS 2 HA CYS 2 16.604 2.775 6.974
559 HB2 CYS 2 HB2 CYS 2 15.417 0.517 6.805
560 HB3 CYS 2 HB3 CYS 2 15.268 0.577 8.564
561 HG CYS 2 HG CYS 2 13.001 1.264 7.413
562 H MET 3 H MET 3 15.066 3.458 8.988
563 HA MET 3 HA MET 3 14.914 4.854 10.724
564 HB2 MET 3 HB2 MET 3 16.875 2.928 11.989
565 HB3 MET 3 HB3 MET 3 16.072 4.211 12.865
566 HG2 MET 3 HG2 MET 3 13.902 3.327 12.486
567 HG3 MET 3 HG3 MET 3 14.457 2.226 11.236
568 HE1 MET 3 HE1 MET 3 16.889 0.673 12.221
569 HE2 MET 3 HE2 MET 3 16.072 -0.717 12.981
570 HE3 MET 3 HE3 MET 3 15.422 -0.001 11.487
571 H ALA 4 H ALA 4 15.755 6.498 12.044
572 HA ALA 4 HA ALA 4 18.119 7.899 10.890
573 HB1 ALA 4 HB1 ALA 4 15.940 9.064 10.817
574 HB2 ALA 4 HB2 ALA 4 15.795 8.904 12.582
575 HB3 ALA 4 HB3 ALA 4 17.068 9.913 11.876
576 H LYS 5 H LYS 5 19.158 9.406 12.632
577 HA LYS 5 HA LYS 5 19.218 8.170 15.354
578 HB2 LYS 5 HB2 LYS 5 21.490 8.844 15.702
579 HB3 LYS 5 HB3 LYS 5 21.405 7.818 14.265
580 HG2 LYS 5 HG2 LYS 5 21.670 9.796 12.803
581 HG3 LYS 5 HG3 LYS 5 21.565 10.874 14.206
582 HD2 LYS 5 HD2 LYS 5 23.607 9.835 15.160
583 HD3 LYS 5 HD3 LYS 5 23.752 8.802 13.712
584 HE2 LYS 5 HE2 LYS 5 24.028 10.779 12.290
585 HE3 LYS 5 HE3 LYS 5 23.692 11.855 13.654
586 HZ1 LYS 5 HZ1 LYS 5 26.076 11.659 13.274
587 HZ2 LYS 5 HZ2 LYS 5 25.697 11.039 14.744
588 HZ3 LYS 5 HZ3 LYS 5 26.032 10.038 13.487
589 H VAL 6 H VAL 6 19.274 9.560 17.105
590 HA VAL 6 HA VAL 6 18.392 12.372 16.605
591 HB VAL 6 HB VAL 6 18.026 10.612 19.036
592 HG11 VAL 6 HG11 VAL 6 16.703 12.489 20.002
593 HG12 VAL 6 HG12 VAL 6 18.426 12.862 19.889
594 HG13 VAL 6 HG13 VAL 6 17.287 13.538 18.695
595 HG21 VAL 6 HG21 VAL 6 16.444 10.256 17.142
596 HG22 VAL 6 HG22 VAL 6 15.646 10.907 18.579
597 HG23 VAL 6 HG23 VAL 6 16.013 11.969 17.206
598 H VAL 7 H VAL 7 19.553 14.079 17.446
599 HA VAL 7 HA VAL 7 21.771 13.518 19.340
600 HB VAL 7 HB VAL 7 22.820 13.770 17.158
601 HG11 VAL 7 HG11 VAL 7 22.839 15.911 15.945
602 HG12 VAL 7 HG12 VAL 7 21.218 15.225 15.995
603 HG13 VAL 7 HG13 VAL 7 21.634 16.587 17.063
604 HG21 VAL 7 HG21 VAL 7 23.387 16.240 18.852
605 HG22 VAL 7 HG22 VAL 7 23.980 14.608 19.211
606 HG23 VAL 7 HG23 VAL 7 24.482 15.420 17.719
607 H LEU 8 H LEU 8 22.122 14.999 20.932
608 HA LEU 8 HA LEU 8 20.587 17.508 21.054
609 HB2 LEU 8 HB2 LEU 8 19.432 16.965 23.106
610 HB3 LEU 8 HB3 LEU 8 19.030 15.804 21.854
611 HG LEU 8 HG LEU 8 21.016 14.382 23.031
612 HD11 LEU 8 HD11 LEU 8 21.549 16.038 24.791
613 HD12 LEU 8 HD12 LEU 8 19.840 16.065 25.293
614 HD13 LEU 8 HD13 LEU 8 20.825 14.611 25.507
615 HD21 LEU 8 HD21 LEU 8 18.694 13.611 22.715
616 HD22 LEU 8 HD22 LEU 8 19.295 13.205 24.321
617 HD23 LEU 8 HD23 LEU 8 18.178 14.574 24.126
618 H THR 9 H THR 9 21.125 18.844 22.908
619 HA THR 9 HA THR 9 23.862 18.356 24.019
620 HB THR 9 HB THR 9 22.656 21.084 23.448
621 HG1 THR 9 HG1 THR 9 23.075 20.046 21.512
622 HG21 THR 9 HG21 THR 9 25.472 20.145 24.161
623 HG22 THR 9 HG22 THR 9 25.034 21.807 23.690
624 HG23 THR 9 HG23 THR 9 24.388 21.112 25.186
625 H LYS 10 H LYS 10 24.034 18.356 26.151
626 HA LYS 10 HA LYS 10 21.698 18.647 27.907
627 HB2 LYS 10 HB2 LYS 10 24.616 17.982 28.489
628 HB3 LYS 10 HB3 LYS 10 23.294 17.876 29.653
629 HG2 LYS 10 HG2 LYS 10 22.136 16.214 28.183
630 HG3 LYS 10 HG3 LYS 10 23.550 16.208 27.113
631 HD2 LYS 10 HD2 LYS 10 23.619 15.453 30.070
632 HD3 LYS 10 HD3 LYS 10 23.502 14.302 28.733
633 HE2 LYS 10 HE2 LYS 10 25.661 15.120 27.828
634 HE3 LYS 10 HE3 LYS 10 25.811 16.254 29.179
635 HZ1 LYS 10 HZ1 LYS 10 25.812 14.340 30.694
636 HZ2 LYS 10 HZ2 LYS 10 25.687 13.294 29.446
637 HZ3 LYS 10 HZ3 LYS 10 27.032 14.199 29.615
638 H ALA 11 H ALA 11 21.805 19.870 29.938
639 HA ALA 11 HA ALA 11 22.337 22.643 29.585
640 HB1 ALA 11 HB1 ALA 11 20.642 21.732 31.107
641 HB2 ALA 11 HB2 ALA 11 21.913 21.015 32.135
642 HB3 ALA 11 HB3 ALA 11 21.776 22.780 31.992
643 H ASP 12 H ASP 12 24.444 20.087 30.773
644 HA ASP 12 HA ASP 12 26.518 21.869 31.844
645 HB2 ASP 12 HB2 ASP 12 26.541 18.902 31.167
646 HB3 ASP 12 HB3 ASP 12 27.824 19.760 32.016
647 H GLY 13 H GLY 13 25.570 21.329 28.687
648 HA2 GLY 13 HA2 GLY 13 26.545 22.146 26.753
649 HA3 GLY 13 HA3 GLY 13 28.092 22.335 27.572
650 H GLY 14 H GLY 14 27.273 19.204 28.248
651 HA2 GLY 14 HA2 GLY 14 28.952 18.013 26.150
652 HA3 GLY 14 HA3 GLY 14 28.130 17.162 27.454
653 H ARG 15 H ARG 15 28.242 16.388 24.658
654 HA ARG 15 HA ARG 15 25.368 16.615 23.817
655 HB2 ARG 15 HB2 ARG 15 27.891 16.293 22.166
656 HB3 ARG 15 HB3 ARG 15 26.254 16.020 21.530
657 HG2 ARG 15 HG2 ARG 15 25.593 18.308 22.193
658 HG3 ARG 15 HG3 ARG 15 27.223 18.634 22.793
659 HD2 ARG 15 HD2 ARG 15 26.486 17.942 19.916
660 HD3 ARG 15 HD3 ARG 15 26.734 19.568 20.512
661 HE ARG 15 HE ARG 15 28.795 17.582 19.879
662 HH11 ARG 15 HH11 ARG 15 30.931 18.137 19.913
663 HH12 ARG 15 HH12 ARG 15 31.441 19.582 20.740
664 HH21 ARG 15 HH21 ARG 15 28.284 20.536 21.688
665 HH22 ARG 15 HH22 ARG 15 29.985 20.930 21.696
666 H VAL 16 H VAL 16 24.301 14.915 22.936
667 HA VAL 16 HA VAL 16 25.276 12.158 23.542
668 HB VAL 16 HB VAL 16 22.603 13.335 24.399
669 HG11 VAL 16 HG11 VAL 16 22.165 11.138 25.453
670 HG12 VAL 16 HG12 VAL 16 22.251 11.012 23.703
671 HG13 VAL 16 HG13 VAL 16 23.646 10.491 24.695
672 HG21 VAL 16 HG21 VAL 16 24.936 12.308 26.068
673 HG22 VAL 16 HG22 VAL 16 24.358 13.991 25.964
674 HG23 VAL 16 HG23 VAL 16 23.331 12.762 26.697
675 H GLU 17 H GLU 17 24.594 10.610 22.154
676 HA GLU 17 HA GLU 17 22.719 11.337 19.943
677 HB2 GLU 17 HB2 GLU 17 25.323 9.787 19.693
678 HB3 GLU 17 HB3 GLU 17 24.092 9.906 18.434
679 HG2 GLU 17 HG2 GLU 17 24.372 12.352 18.350
680 HG3 GLU 17 HG3 GLU 17 25.628 12.271 19.594
681 H ILE 18 H ILE 18 21.348 9.764 19.221
682 HA ILE 18 HA ILE 18 21.347 7.092 20.578
683 HB ILE 18 HB ILE 18 18.920 8.836 20.077
684 HG12 ILE 18 HG12 ILE 18 19.925 7.917 22.806
685 HG13 ILE 18 HG13 ILE 18 20.407 9.467 22.117
686 HG21 ILE 18 HG21 ILE 18 19.142 6.071 21.366
687 HG22 ILE 18 HG22 ILE 18 17.660 7.024 21.205
688 HG23 ILE 18 HG23 ILE 18 18.456 6.420 19.763
689 HD11 ILE 18 HD11 ILE 18 17.554 8.666 22.741
690 HD12 ILE 18 HD12 ILE 18 18.570 9.853 23.581
691 HD13 ILE 18 HD13 ILE 18 18.052 10.167 21.918
692 H GLY 19 H GLY 19 21.786 5.696 18.996
693 HA2 GLY 19 HA2 GLY 19 21.219 6.256 16.175
694 HA3 GLY 19 HA3 GLY 19 22.052 4.845 16.821
695 H ASP 20 H ASP 20 20.064 4.940 14.758
696 HA ASP 20 HA ASP 20 18.271 3.831 13.959
697 HB2 ASP 20 HB2 ASP 20 19.204 1.790 15.981
698 HB3 ASP 20 HB3 ASP 20 18.177 1.461 14.571
699 H VAL 21 H VAL 21 17.127 5.700 15.235
700 HA VAL 21 HA VAL 21 15.237 4.766 17.258
701 HB VAL 21 HB VAL 21 14.289 7.010 17.166
702 HG11 VAL 21 HG11 VAL 21 16.242 8.138 18.167
703 HG12 VAL 21 HG12 VAL 21 16.086 6.472 18.727
704 HG13 VAL 21 HG13 VAL 21 17.315 6.904 17.507
705 HG21 VAL 21 HG21 VAL 21 14.922 7.569 14.753
706 HG22 VAL 21 HG22 VAL 21 15.206 8.823 15.962
707 HG23 VAL 21 HG23 VAL 21 16.566 7.861 15.363
708 H LEU 22 H LEU 22 13.180 4.267 17.072
709 HA LEU 22 HA LEU 22 11.925 3.861 14.414
710 HB2 LEU 22 HB2 LEU 22 11.049 3.270 17.277
711 HB3 LEU 22 HB3 LEU 22 10.035 2.957 15.881
712 HG LEU 22 HG LEU 22 12.733 1.636 16.344
713 HD11 LEU 22 HD11 LEU 22 11.355 -0.373 16.868
714 HD12 LEU 22 HD12 LEU 22 11.056 0.947 18.019
715 HD13 LEU 22 HD13 LEU 22 9.888 0.606 16.732
716 HD21 LEU 22 HD21 LEU 22 12.047 0.088 14.584
717 HD22 LEU 22 HD22 LEU 22 10.519 0.948 14.368
718 HD23 LEU 22 HD23 LEU 22 12.053 1.720 13.931
719 H GLU 23 H GLU 23 11.673 6.040 17.270
720 HA GLU 23 HA GLU 23 9.794 7.787 15.828
721 HB2 GLU 23 HB2 GLU 23 8.409 5.918 16.661
722 HB3 GLU 23 HB3 GLU 23 8.936 6.252 18.316
723 HG2 GLU 23 HG2 GLU 23 7.853 8.393 18.336
724 HG3 GLU 23 HG3 GLU 23 7.527 8.321 16.601
725 H VAL 24 H VAL 24 9.722 9.844 16.594
726 HA VAL 24 HA VAL 24 11.025 10.529 19.184
727 HB VAL 24 HB VAL 24 11.614 12.133 16.685
728 HG11 VAL 24 HG11 VAL 24 13.517 12.937 18.048
729 HG12 VAL 24 HG12 VAL 24 11.978 13.248 18.856
730 HG13 VAL 24 HG13 VAL 24 13.001 11.894 19.384
731 HG21 VAL 24 HG21 VAL 24 12.583 9.976 16.133
732 HG22 VAL 24 HG22 VAL 24 13.863 11.078 16.594
733 HG23 VAL 24 HG23 VAL 24 13.303 9.847 17.741
734 H ARG 25 H ARG 25 9.926 12.202 20.257
735 HA ARG 25 HA ARG 25 8.195 14.031 18.766
736 HB2 ARG 25 HB2 ARG 25 6.092 13.447 19.798
737 HB3 ARG 25 HB3 ARG 25 6.694 12.156 18.776
738 HG2 ARG 25 HG2 ARG 25 6.730 12.159 21.820
739 HG3 ARG 25 HG3 ARG 25 5.585 11.329 20.757
740 HD2 ARG 25 HD2 ARG 25 7.544 10.040 19.797
741 HD3 ARG 25 HD3 ARG 25 8.520 10.714 21.118
742 HE ARG 25 HE ARG 25 6.119 9.472 22.117
743 HH11 ARG 25 HH11 ARG 25 9.283 8.584 20.898
744 HH12 ARG 25 HH12 ARG 25 9.294 7.081 21.793
745 HH21 ARG 25 HH21 ARG 25 6.291 7.636 23.328
746 HH22 ARG 25 HH22 ARG 25 7.800 6.747 23.373
747 H ALA 26 H ALA 26 7.492 15.773 19.791
748 HA ALA 26 HA ALA 26 8.661 16.387 22.455
749 HB1 ALA 26 HB1 ALA 26 7.677 18.227 20.236
750 HB2 ALA 26 HB2 ALA 26 8.370 18.727 21.792
751 HB3 ALA 26 HB3 ALA 26 9.371 17.855 20.612
752 H GLU 27 H GLU 27 7.337 16.393 24.121
753 HA GLU 27 HA GLU 27 4.480 17.115 23.934
754 HB2 GLU 27 HB2 GLU 27 4.620 14.731 23.236
755 HB3 GLU 27 HB3 GLU 27 5.355 14.313 24.773
756 HG2 GLU 27 HG2 GLU 27 2.643 15.707 24.587
757 HG3 GLU 27 HG3 GLU 27 2.798 13.969 24.351
758 H GLY 28 H GLY 28 3.743 18.022 25.812
759 HA2 GLY 28 HA2 GLY 28 3.647 18.728 27.981
760 HA3 GLY 28 HA3 GLY 28 4.487 17.241 28.422
761 H GLY 29 H GLY 29 6.041 19.660 26.355
762 HA2 GLY 29 HA2 GLY 29 7.806 21.131 26.743
763 HA3 GLY 29 HA3 GLY 29 7.569 20.965 28.484
764 H ALA 30 H ALA 30 8.008 18.046 26.618
765 HA ALA 30 HA ALA 30 10.926 17.875 27.101
766 HB1 ALA 30 HB1 ALA 30 10.643 15.655 28.139
767 HB2 ALA 30 HB2 ALA 30 9.716 16.847 29.066
768 HB3 ALA 30 HB3 ALA 30 8.882 15.761 27.939
769 H VAL 31 H VAL 31 11.881 16.001 25.916
770 HA VAL 31 HA VAL 31 10.232 15.116 23.562
771 HB VAL 31 HB VAL 31 13.227 15.527 23.689
772 HG11 VAL 31 HG11 VAL 31 11.576 14.080 21.572
773 HG12 VAL 31 HG12 VAL 31 13.209 14.678 21.300
774 HG13 VAL 31 HG13 VAL 31 12.935 13.406 22.504
775 HG21 VAL 31 HG21 VAL 31 11.695 17.456 23.113
776 HG22 VAL 31 HG22 VAL 31 12.825 17.007 21.831
777 HG23 VAL 31 HG23 VAL 31 11.109 16.519 21.731
778 H ARG 32 H ARG 32 9.947 13.044 23.160
779 HA ARG 32 HA ARG 32 11.355 10.980 24.817
780 HB2 ARG 32 HB2 ARG 32 8.510 11.005 23.757
781 HB3 ARG 32 HB3 ARG 32 9.341 9.524 24.256
782 HG2 ARG 32 HG2 ARG 32 9.674 10.422 26.523
783 HG3 ARG 32 HG3 ARG 32 8.897 11.940 26.046
784 HD2 ARG 32 HD2 ARG 32 7.320 10.594 27.276
785 HD3 ARG 32 HD3 ARG 32 6.784 10.743 25.596
786 HE ARG 32 HE ARG 32 8.247 8.347 25.694
787 HH11 ARG 32 HH11 ARG 32 5.384 9.494 27.378
788 HH12 ARG 32 HH12 ARG 32 4.733 7.886 27.530
789 HH21 ARG 32 HH21 ARG 32 7.349 6.373 25.856
790 HH22 ARG 32 HH22 ARG 32 5.846 6.144 26.727
791 H VAL 33 H VAL 33 12.074 9.178 23.829
792 HA VAL 33 HA VAL 33 12.151 9.056 20.848
793 HB VAL 33 HB VAL 33 14.581 8.404 22.511
794 HG11 VAL 33 HG11 VAL 33 14.534 7.572 20.231
795 HG12 VAL 33 HG12 VAL 33 14.245 9.216 19.621
796 HG13 VAL 33 HG13 VAL 33 15.780 8.809 20.431
797 HG21 VAL 33 HG21 VAL 33 14.231 10.765 23.064
798 HG22 VAL 33 HG22 VAL 33 15.570 10.627 21.918
799 HG23 VAL 33 HG23 VAL 33 13.987 11.160 21.346
800 H THR 34 H THR 34 12.023 6.993 20.025
801 HA THR 34 HA THR 34 12.167 4.660 21.923
802 HB THR 34 HB THR 34 10.379 4.894 19.478
803 HG1 THR 34 HG1 THR 34 8.719 4.899 21.043
804 HG21 THR 34 HG21 THR 34 10.984 2.561 19.957
805 HG22 THR 34 HG22 THR 34 10.550 2.789 21.672
806 HG23 THR 34 HG23 THR 34 9.302 2.861 20.417
807 H THR 35 H THR 35 13.563 3.071 21.360
808 HA THR 35 HA THR 35 14.986 3.227 18.733
809 HB THR 35 HB THR 35 16.769 1.993 19.722
810 HG1 THR 35 HG1 THR 35 15.303 1.984 22.125
811 HG21 THR 35 HG21 THR 35 17.598 3.510 21.403
812 HG22 THR 35 HG22 THR 35 16.788 4.436 20.130
813 HG23 THR 35 HG23 THR 35 15.973 4.176 21.692
814 H LEU 36 H LEU 36 15.690 1.183 17.744
815 HA LEU 36 HA LEU 36 13.582 -0.599 17.217
816 HB2 LEU 36 HB2 LEU 36 15.048 -1.728 15.829
817 HB3 LEU 36 HB3 LEU 36 15.635 -0.068 15.805
818 HG LEU 36 HG LEU 36 16.864 -2.406 17.339
819 HD11 LEU 36 HD11 LEU 36 18.682 -2.208 15.689
820 HD12 LEU 36 HD12 LEU 36 17.143 -2.543 14.893
821 HD13 LEU 36 HD13 LEU 36 17.807 -0.900 14.865
822 HD21 LEU 36 HD21 LEU 36 18.816 -0.815 17.639
823 HD22 LEU 36 HD22 LEU 36 17.750 0.496 17.078
824 HD23 LEU 36 HD23 LEU 36 17.393 -0.388 18.573
825 H PHE 37 H PHE 37 15.674 -0.691 19.961
826 HA PHE 37 HA PHE 37 15.335 -3.536 20.571
827 HB2 PHE 37 HB2 PHE 37 16.303 -1.270 22.336
828 HB3 PHE 37 HB3 PHE 37 16.517 -2.986 22.617
829 HD1 PHE 37 HD1 PHE 37 18.227 -0.145 21.664
830 HD2 PHE 37 HD2 PHE 37 17.669 -4.236 20.427
831 HE1 PHE 37 HE1 PHE 37 20.410 -0.084 20.483
832 HE2 PHE 37 HE2 PHE 37 19.845 -4.181 19.238
833 HZ PHE 37 HZ PHE 37 21.239 -2.099 19.276
834 H ASP 38 H ASP 38 13.155 -1.052 20.617
835 HA ASP 38 HA ASP 38 11.326 -0.436 21.693
836 HB2 ASP 38 HB2 ASP 38 10.737 -2.893 21.471
837 HB3 ASP 38 HB3 ASP 38 11.206 -3.081 23.161
838 H GLU 39 H GLU 39 14.086 -0.178 22.918
839 HA GLU 39 HA GLU 39 13.462 0.559 25.709
840 HB2 GLU 39 HB2 GLU 39 15.682 -0.342 25.190
841 HB3 GLU 39 HB3 GLU 39 15.964 0.959 24.033
842 HG2 GLU 39 HG2 GLU 39 15.856 2.641 25.825
843 HG3 GLU 39 HG3 GLU 39 15.419 1.397 26.994
844 H GLU 40 H GLU 40 12.955 2.613 26.353
845 HA GLU 40 HA GLU 40 12.890 4.762 24.285
846 HB2 GLU 40 HB2 GLU 40 11.046 4.385 26.665
847 HB3 GLU 40 HB3 GLU 40 11.115 5.830 25.654
848 HG2 GLU 40 HG2 GLU 40 10.634 4.368 23.658
849 HG3 GLU 40 HG3 GLU 40 10.339 3.026 24.773
850 H HIS 41 H HIS 41 13.300 6.855 24.878
851 HA HIS 41 HA HIS 41 14.819 7.369 27.399
852 HB2 HIS 41 HB2 HIS 41 15.668 8.319 24.647
853 HB3 HIS 41 HB3 HIS 41 16.464 8.669 26.170
854 HD2 HIS 41 HD2 HIS 41 16.256 6.043 23.447
855 HE1 HIS 41 HE1 HIS 41 18.830 4.383 26.426
856 HE2 HIS 41 HE2 HIS 41 17.941 4.099 24.056
857 H ALA 42 H ALA 42 14.693 9.558 28.137
858 HA ALA 42 HA ALA 42 12.728 11.323 26.802
859 HB1 ALA 42 HB1 ALA 42 11.379 11.517 28.845
860 HB2 ALA 42 HB2 ALA 42 11.406 9.828 28.275
861 HB3 ALA 42 HB3 ALA 42 12.407 10.323 29.657
862 H PHE 43 H PHE 43 12.995 13.418 27.116
863 HA PHE 43 HA PHE 43 15.210 14.411 28.867
864 HB2 PHE 43 HB2 PHE 43 14.883 14.928 25.913
865 HB3 PHE 43 HB3 PHE 43 16.121 15.601 26.972
866 HD1 PHE 43 HD1 PHE 43 17.858 14.075 27.989
867 HD2 PHE 43 HD2 PHE 43 15.083 12.725 24.979
868 HE1 PHE 43 HE1 PHE 43 19.264 12.072 27.595
869 HE2 PHE 43 HE2 PHE 43 16.500 10.730 24.577
870 HZ PHE 43 HZ PHE 43 18.586 10.392 25.894
871 HA PRO 44 HA PRO 44 11.799 17.418 29.478
872 HB2 PRO 44 HB2 PRO 44 13.554 17.959 31.857
873 HB3 PRO 44 HB3 PRO 44 11.770 17.893 31.757
874 HG2 PRO 44 HG2 PRO 44 13.144 15.805 32.786
875 HG3 PRO 44 HG3 PRO 44 11.797 15.501 31.639
876 HD2 PRO 44 HD2 PRO 44 14.777 15.596 31.055
877 HD3 PRO 44 HD3 PRO 44 13.573 14.367 30.561
878 H GLY 45 H GLY 45 11.699 19.563 28.993
879 HA2 GLY 45 HA2 GLY 45 12.354 21.734 28.641
880 HA3 GLY 45 HA3 GLY 45 14.019 21.353 29.098
881 H LEU 46 H LEU 46 13.093 19.133 26.739
882 HA LEU 46 HA LEU 46 14.321 20.749 24.567
883 HB2 LEU 46 HB2 LEU 46 13.973 17.746 24.766
884 HB3 LEU 46 HB3 LEU 46 14.718 18.606 23.426
885 HG LEU 46 HG LEU 46 15.778 18.372 26.271
886 HD11 LEU 46 HD11 LEU 46 16.061 16.454 24.626
887 HD12 LEU 46 HD12 LEU 46 16.975 17.550 23.589
888 HD13 LEU 46 HD13 LEU 46 17.582 17.157 25.211
889 HD21 LEU 46 HD21 LEU 46 17.777 19.585 25.431
890 HD22 LEU 46 HD22 LEU 46 16.921 19.963 23.924
891 HD23 LEU 46 HD23 LEU 46 16.365 20.628 25.481
892 H ALA 47 H ALA 47 13.615 20.570 22.457
893 HA ALA 47 HA ALA 47 11.053 19.306 21.770
894 HB1 ALA 47 HB1 ALA 47 11.651 22.235 21.186
895 HB2 ALA 47 HB2 ALA 47 10.293 21.312 20.515
896 HB3 ALA 47 HB3 ALA 47 10.369 21.609 22.249
897 H ILE 48 H ILE 48 10.915 19.010 19.350
898 HA ILE 48 HA ILE 48 13.520 18.340 18.226
899 HB ILE 48 HB ILE 48 10.750 18.281 16.996
900 HG12 ILE 48 HG12 ILE 48 12.439 15.868 17.756
901 HG13 ILE 48 HG13 ILE 48 11.420 16.647 18.961
902 HG21 ILE 48 HG21 ILE 48 13.430 17.257 15.928
903 HG22 ILE 48 HG22 ILE 48 11.861 16.819 15.236
904 HG23 ILE 48 HG23 ILE 48 12.406 18.495 15.186
905 HD11 ILE 48 HD11 ILE 48 10.239 14.778 17.964
906 HD12 ILE 48 HD12 ILE 48 9.415 16.300 17.559
907 HD13 ILE 48 HD13 ILE 48 10.425 15.467 16.344
908 H GLY 49 H GLY 49 14.834 19.609 17.107
909 HA2 GLY 49 HA2 GLY 49 13.986 22.364 16.318
910 HA3 GLY 49 HA3 GLY 49 15.620 21.786 16.593
911 H ARG 50 H ARG 50 15.468 19.390 14.936
912 HA ARG 50 HA ARG 50 14.804 20.314 12.203
913 HB2 ARG 50 HB2 ARG 50 16.973 21.341 12.635
914 HB3 ARG 50 HB3 ARG 50 17.661 19.785 13.094
915 HG2 ARG 50 HG2 ARG 50 17.501 18.933 10.838
916 HG3 ARG 50 HG3 ARG 50 16.586 20.359 10.307
917 HD2 ARG 50 HD2 ARG 50 18.513 21.807 10.831
918 HD3 ARG 50 HD3 ARG 50 19.436 20.401 11.396
919 HE ARG 50 HE ARG 50 18.669 21.062 8.577
920 HH11 ARG 50 HH11 ARG 50 20.395 18.728 10.602
921 HH12 ARG 50 HH12 ARG 50 21.078 17.972 9.183
922 HH21 ARG 50 HH21 ARG 50 19.558 20.097 6.978
923 HH22 ARG 50 HH22 ARG 50 20.512 18.619 7.191
924 H VAL 51 H VAL 51 14.654 18.784 10.694
925 HA VAL 51 HA VAL 51 15.310 15.939 11.292
926 HB VAL 51 HB VAL 51 12.732 16.868 9.976
927 HG11 VAL 51 HG11 VAL 51 12.087 14.473 10.152
928 HG12 VAL 51 HG12 VAL 51 13.470 14.713 9.081
929 HG13 VAL 51 HG13 VAL 51 13.721 14.092 10.729
930 HG21 VAL 51 HG21 VAL 51 13.091 15.637 12.727
931 HG22 VAL 51 HG22 VAL 51 12.581 17.291 12.389
932 HG23 VAL 51 HG23 VAL 51 11.539 15.959 11.916
933 H ASP 52 H ASP 52 16.503 15.095 9.701
934 HA ASP 52 HA ASP 52 16.570 16.389 7.002
935 HB2 ASP 52 HB2 ASP 52 18.314 17.274 8.425
936 HB3 ASP 52 HB3 ASP 52 18.884 15.660 8.829
937 H LEU 53 H LEU 53 15.804 14.894 5.653
938 HA LEU 53 HA LEU 53 16.198 12.019 6.114
939 HB2 LEU 53 HB2 LEU 53 14.786 13.553 3.881
940 HB3 LEU 53 HB3 LEU 53 14.798 11.817 4.085
941 HG LEU 53 HG LEU 53 12.731 12.480 4.817
942 HD11 LEU 53 HD11 LEU 53 13.800 10.887 6.381
943 HD12 LEU 53 HD12 LEU 53 14.292 12.249 7.420
944 HD13 LEU 53 HD13 LEU 53 12.579 11.904 7.173
945 HD21 LEU 53 HD21 LEU 53 13.104 14.896 5.076
946 HD22 LEU 53 HD22 LEU 53 12.161 14.215 6.409
947 HD23 LEU 53 HD23 LEU 53 13.856 14.603 6.664
948 H ARG 54 H ARG 54 17.963 14.446 4.426
949 HA ARG 54 HA ARG 54 19.047 12.721 2.303
950 HB2 ARG 54 HB2 ARG 54 20.075 15.392 3.350
951 HB3 ARG 54 HB3 ARG 54 20.549 14.585 1.867
952 HG2 ARG 54 HG2 ARG 54 18.183 14.768 1.023
953 HG3 ARG 54 HG3 ARG 54 17.757 15.667 2.487
954 HD2 ARG 54 HD2 ARG 54 18.136 17.284 0.781
955 HD3 ARG 54 HD3 ARG 54 19.503 17.380 1.892
956 HE ARG 54 HE ARG 54 20.174 15.576 -0.221
957 HH11 ARG 54 HH11 ARG 54 19.624 19.013 0.137
958 HH12 ARG 54 HH12 ARG 54 20.671 19.410 -1.202
959 HH21 ARG 54 HH21 ARG 54 21.477 16.139 -1.921
960 HH22 ARG 54 HH22 ARG 54 21.677 17.817 -2.355
961 H SER 55 H SER 55 19.891 13.446 5.602
962 HA SER 55 HA SER 55 22.240 11.581 5.425
963 HB2 SER 55 HB2 SER 55 21.802 13.914 7.312
964 HB3 SER 55 HB3 SER 55 23.191 12.815 7.342
965 HG SER 55 HG SER 55 23.813 13.545 5.312
966 H GLY 56 H GLY 56 19.102 11.837 6.818
967 HA2 GLY 56 HA2 GLY 56 17.964 10.330 8.136
968 HA3 GLY 56 HA3 GLY 56 19.417 9.330 8.259
969 H VAL 57 H VAL 57 18.790 12.732 9.240
970 HA VAL 57 HA VAL 57 19.668 12.062 12.034
971 HB VAL 57 HB VAL 57 20.544 14.429 10.344
972 HG11 VAL 57 HG11 VAL 57 21.137 13.766 13.267
973 HG12 VAL 57 HG12 VAL 57 21.983 15.000 12.302
974 HG13 VAL 57 HG13 VAL 57 20.272 15.191 12.657
975 HG21 VAL 57 HG21 VAL 57 22.061 12.065 11.523
976 HG22 VAL 57 HG22 VAL 57 21.786 12.380 9.798
977 HG23 VAL 57 HG23 VAL 57 22.818 13.477 10.736
978 H ILE 58 H ILE 58 18.575 12.880 13.642
979 HA ILE 58 HA ILE 58 16.627 15.117 13.257
980 HB ILE 58 HB ILE 58 16.443 12.598 14.939
981 HG12 ILE 58 HG12 ILE 58 14.475 13.830 12.963
982 HG13 ILE 58 HG13 ILE 58 15.644 12.581 12.532
983 HG21 ILE 58 HG21 ILE 58 14.738 15.123 15.179
984 HG22 ILE 58 HG22 ILE 58 14.343 13.576 15.929
985 HG23 ILE 58 HG23 ILE 58 15.795 14.417 16.440
986 HD11 ILE 58 HD11 ILE 58 13.541 11.512 12.876
987 HD12 ILE 58 HD12 ILE 58 14.604 11.067 14.221
988 HD13 ILE 58 HD13 ILE 58 13.310 12.277 14.447
989 H SER 59 H SER 59 16.869 16.818 14.645
990 HA SER 59 HA SER 59 18.970 16.626 16.776
991 HB2 SER 59 HB2 SER 59 19.878 17.692 14.743
992 HB3 SER 59 HB3 SER 59 18.602 18.919 14.844
993 HG SER 59 HG SER 59 20.608 19.570 15.816
994 H LEU 60 H LEU 60 18.498 17.480 18.683
995 HA LEU 60 HA LEU 60 15.838 18.791 19.034
996 HB2 LEU 60 HB2 LEU 60 17.590 17.562 21.164
997 HB3 LEU 60 HB3 LEU 60 15.904 18.059 21.311
998 HG LEU 60 HG LEU 60 16.994 15.677 19.750
999 HD11 LEU 60 HD11 LEU 60 16.816 15.380 22.191
1000 HD12 LEU 60 HD12 LEU 60 15.125 15.895 22.133
1001 HD13 LEU 60 HD13 LEU 60 15.636 14.383 21.342
1002 HD21 LEU 60 HD21 LEU 60 14.131 16.683 19.922
1003 HD22 LEU 60 HD22 LEU 60 15.118 16.563 18.452
1004 HD23 LEU 60 HD23 LEU 60 14.623 15.087 19.285
1005 H ILE 61 H ILE 61 15.566 20.554 20.368
1006 HA ILE 61 HA ILE 61 17.929 22.202 21.139
1007 HB ILE 61 HB ILE 61 16.818 24.230 20.324
1008 HG12 ILE 61 HG12 ILE 61 15.200 23.853 18.312
1009 HG13 ILE 61 HG13 ILE 61 14.791 22.330 19.078
1010 HG21 ILE 61 HG21 ILE 61 17.414 22.218 18.121
1011 HG22 ILE 61 HG22 ILE 61 17.517 23.980 18.017
1012 HG23 ILE 61 HG23 ILE 61 18.625 23.108 19.081
1013 HD11 ILE 61 HD11 ILE 61 13.221 24.199 19.597
1014 HD12 ILE 61 HD12 ILE 61 13.960 23.582 21.073
1015 HD13 ILE 61 HD13 ILE 61 14.547 25.106 20.355
1016 H GLU 62 H GLU 62 17.434 23.829 22.778
1017 HA GLU 62 HA GLU 62 15.581 22.815 24.794
1018 HB2 GLU 62 HB2 GLU 62 17.377 25.255 24.675
1019 HB3 GLU 62 HB3 GLU 62 16.271 24.935 26.020
1020 HG2 GLU 62 HG2 GLU 62 17.353 22.777 26.449
1021 HG3 GLU 62 HG3 GLU 62 18.475 23.036 25.112
1022 H GLU 63 H GLU 63 13.548 23.421 25.243
1023 HA GLU 63 HA GLU 63 12.144 24.860 23.158
1024 HB2 GLU 63 HB2 GLU 63 10.189 23.942 24.083
1025 HB3 GLU 63 HB3 GLU 63 11.442 22.731 24.194
1026 HG2 GLU 63 HG2 GLU 63 10.514 22.459 26.245
1027 HG3 GLU 63 HG3 GLU 63 11.767 23.619 26.661
1028 H GLN 64 H GLN 64 13.616 26.097 25.840
1029 HA GLN 64 HA GLN 64 11.680 28.227 26.404
1030 HB2 GLN 64 HB2 GLN 64 14.420 27.517 27.495
1031 HB3 GLN 64 HB3 GLN 64 13.589 28.982 28.005
1032 HG2 GLN 64 HG2 GLN 64 12.374 26.197 28.305
1033 HG3 GLN 64 HG3 GLN 64 13.317 27.000 29.555
1034 HE21 GLN 64 HE21 GLN 64 10.156 26.430 28.665
1035 HE22 GLN 64 HE22 GLN 64 9.430 27.851 29.432
1036 H ASN 65 H ASN 65 13.402 27.898 23.910
1037 HA ASN 65 HA ASN 65 14.579 30.611 23.642
1038 HB2 ASN 65 HB2 ASN 65 14.715 28.134 21.880
1039 HB3 ASN 65 HB3 ASN 65 15.413 29.679 21.415
1040 HD21 ASN 65 HD21 ASN 65 16.013 26.820 23.197
1041 HD22 ASN 65 HD22 ASN 65 17.511 27.388 23.940
1042 H ARG 66 H ARG 66 11.571 30.055 23.626
1043 HA ARG 66 HA ARG 66 10.513 30.688 21.020
1044 HB2 ARG 66 HB2 ARG 66 9.265 30.979 23.782
1045 HB3 ARG 66 HB3 ARG 66 8.387 31.074 22.246
1046 HG2 ARG 66 HG2 ARG 66 8.906 28.739 21.725
1047 HG3 ARG 66 HG3 ARG 66 9.969 28.626 23.128
1048 HD2 ARG 66 HD2 ARG 66 7.965 29.184 24.578
1049 HD3 ARG 66 HD3 ARG 66 6.955 28.971 23.152
1050 HE ARG 66 HE ARG 66 8.533 26.888 24.601
1051 HH11 ARG 66 HH11 ARG 66 6.420 27.459 21.837
1052 HH12 ARG 66 HH12 ARG 66 5.795 25.832 21.921
1053 HH21 ARG 66 HH21 ARG 66 7.745 24.860 24.563
1054 HH22 ARG 66 HH22 ARG 66 6.670 24.355 23.257
Start of MODEL 13
1 H1 GLY -3 H1 GLY -3 16.521 10.692 -11.416
2 H2 GLY -3 H2 GLY -3 16.255 12.121 -10.663
3 H3 GLY -3 H3 GLY -3 15.112 11.495 -11.653
4 HA2 GLY -3 HA2 GLY -3 14.462 11.199 -9.362
5 HA3 GLY -3 HA3 GLY -3 14.734 9.645 -10.173
6 HA PRO -2 HA PRO -2 17.498 10.228 -6.305
7 HB2 PRO -2 HB2 PRO -2 16.180 8.680 -4.467
8 HB3 PRO -2 HB3 PRO -2 15.816 10.406 -4.743
9 HG2 PRO -2 HG2 PRO -2 14.395 7.986 -5.918
10 HG3 PRO -2 HG3 PRO -2 13.659 9.399 -5.096
11 HD2 PRO -2 HD2 PRO -2 13.824 9.251 -7.810
12 HD3 PRO -2 HD3 PRO -2 14.048 10.810 -6.947
13 H GLY -1 H GLY -1 18.879 8.582 -5.408
14 HA2 GLY -1 HA2 GLY -1 19.418 6.309 -7.137
15 HA3 GLY -1 HA3 GLY -1 20.291 6.774 -5.668
16 H SER 0 H SER 0 17.126 5.432 -6.627
17 HA SER 0 HA SER 0 15.766 3.820 -5.858
18 HB2 SER 0 HB2 SER 0 18.226 2.539 -4.648
19 HB3 SER 0 HB3 SER 0 16.662 1.765 -4.915
20 HG SER 0 HG SER 0 18.439 2.806 -6.880
21 H MET 1 H MET 1 17.272 5.708 -3.480
22 HA MET 1 HA MET 1 15.748 4.753 -1.185
23 HB2 MET 1 HB2 MET 1 16.616 6.656 -0.045
24 HB3 MET 1 HB3 MET 1 17.926 5.912 -0.960
25 HG2 MET 1 HG2 MET 1 17.706 7.655 -2.703
26 HG3 MET 1 HG3 MET 1 16.376 8.408 -1.822
27 HE1 MET 1 HE1 MET 1 18.096 10.036 1.260
28 HE2 MET 1 HE2 MET 1 16.585 9.754 0.358
29 HE3 MET 1 HE3 MET 1 17.346 8.427 1.260
30 H CYS 2 H CYS 2 14.264 6.343 -0.006
31 HA CYS 2 HA CYS 2 12.646 8.061 -1.785
32 HB2 CYS 2 HB2 CYS 2 10.557 6.980 -1.123
33 HB3 CYS 2 HB3 CYS 2 11.647 5.853 -1.966
34 HG CYS 2 HG CYS 2 11.083 6.167 1.306
35 H MET 3 H MET 3 11.318 9.563 -0.728
36 HA MET 3 HA MET 3 12.503 10.501 1.809
37 HB2 MET 3 HB2 MET 3 11.143 11.795 -0.555
38 HB3 MET 3 HB3 MET 3 11.081 12.613 0.990
39 HG2 MET 3 HG2 MET 3 12.986 13.402 -0.280
40 HG3 MET 3 HG3 MET 3 13.485 12.615 1.215
41 HE1 MET 3 HE1 MET 3 14.238 11.020 -3.075
42 HE2 MET 3 HE2 MET 3 12.601 11.334 -2.465
43 HE3 MET 3 HE3 MET 3 13.751 12.683 -2.666
44 H ALA 4 H ALA 4 11.261 11.592 3.387
45 HA ALA 4 HA ALA 4 8.929 10.173 4.334
46 HB1 ALA 4 HB1 ALA 4 10.290 12.738 5.282
47 HB2 ALA 4 HB2 ALA 4 9.163 11.760 6.225
48 HB3 ALA 4 HB3 ALA 4 10.730 11.074 5.782
49 H LYS 5 H LYS 5 7.186 11.788 5.355
50 HA LYS 5 HA LYS 5 6.434 14.026 3.545
51 HB2 LYS 5 HB2 LYS 5 4.141 13.435 3.417
52 HB3 LYS 5 HB3 LYS 5 5.081 12.035 2.909
53 HG2 LYS 5 HG2 LYS 5 4.770 11.121 5.300
54 HG3 LYS 5 HG3 LYS 5 3.657 12.459 5.573
55 HD2 LYS 5 HD2 LYS 5 2.264 10.662 5.032
56 HD3 LYS 5 HD3 LYS 5 2.331 11.616 3.547
57 HE2 LYS 5 HE2 LYS 5 4.127 10.059 2.694
58 HE3 LYS 5 HE3 LYS 5 3.988 9.122 4.185
59 HZ1 LYS 5 HZ1 LYS 5 1.811 9.507 2.191
60 HZ2 LYS 5 HZ2 LYS 5 2.658 8.128 2.422
61 HZ3 LYS 5 HZ3 LYS 5 1.654 8.666 3.585
62 H VAL 6 H VAL 6 5.543 15.765 4.489
63 HA VAL 6 HA VAL 6 5.457 15.905 7.478
64 HB VAL 6 HB VAL 6 6.025 17.922 5.312
65 HG11 VAL 6 HG11 VAL 6 5.927 19.757 6.973
66 HG12 VAL 6 HG12 VAL 6 4.327 19.118 6.580
67 HG13 VAL 6 HG13 VAL 6 5.104 18.669 8.108
68 HG21 VAL 6 HG21 VAL 6 7.318 17.467 8.012
69 HG22 VAL 6 HG22 VAL 6 7.857 16.702 6.498
70 HG23 VAL 6 HG23 VAL 6 7.926 18.452 6.672
71 H VAL 7 H VAL 7 3.638 16.501 8.538
72 HA VAL 7 HA VAL 7 1.282 17.454 7.018
73 HB VAL 7 HB VAL 7 0.924 15.077 7.144
74 HG11 VAL 7 HG11 VAL 7 0.661 13.843 9.228
75 HG12 VAL 7 HG12 VAL 7 2.292 14.497 9.126
76 HG13 VAL 7 HG13 VAL 7 1.096 15.277 10.181
77 HG21 VAL 7 HG21 VAL 7 -1.043 16.630 7.453
78 HG22 VAL 7 HG22 VAL 7 -1.263 15.018 8.134
79 HG23 VAL 7 HG23 VAL 7 -0.903 16.378 9.204
80 H LEU 8 H LEU 8 0.007 18.902 8.043
81 HA LEU 8 HA LEU 8 0.460 19.541 10.904
82 HB2 LEU 8 HB2 LEU 8 0.927 21.869 10.462
83 HB3 LEU 8 HB3 LEU 8 2.067 20.868 9.590
84 HG LEU 8 HG LEU 8 0.323 21.200 7.583
85 HD11 LEU 8 HD11 LEU 8 -0.413 23.606 7.553
86 HD12 LEU 8 HD12 LEU 8 -1.289 22.651 8.752
87 HD13 LEU 8 HD13 LEU 8 0.024 23.732 9.261
88 HD21 LEU 8 HD21 LEU 8 1.747 23.029 6.793
89 HD22 LEU 8 HD22 LEU 8 2.403 23.236 8.428
90 HD23 LEU 8 HD23 LEU 8 2.699 21.741 7.525
91 H THR 9 H THR 9 -1.061 21.033 11.778
92 HA THR 9 HA THR 9 -3.603 21.408 10.258
93 HB THR 9 HB THR 9 -3.460 21.087 13.273
94 HG1 THR 9 HG1 THR 9 -3.050 19.122 12.262
95 HG21 THR 9 HG21 THR 9 -5.928 20.811 13.014
96 HG22 THR 9 HG22 THR 9 -5.382 22.415 12.506
97 HG23 THR 9 HG23 THR 9 -5.773 21.183 11.288
98 H LYS 10 H LYS 10 -4.083 23.471 9.922
99 HA LYS 10 HA LYS 10 -2.392 25.630 10.937
100 HB2 LYS 10 HB2 LYS 10 -4.919 25.618 9.226
101 HB3 LYS 10 HB3 LYS 10 -3.914 27.039 9.525
102 HG2 LYS 10 HG2 LYS 10 -1.962 25.905 8.501
103 HG3 LYS 10 HG3 LYS 10 -2.980 24.503 8.102
104 HD2 LYS 10 HD2 LYS 10 -3.435 27.346 7.093
105 HD3 LYS 10 HD3 LYS 10 -2.617 26.064 6.189
106 HE2 LYS 10 HE2 LYS 10 -4.686 24.667 6.294
107 HE3 LYS 10 HE3 LYS 10 -5.511 25.957 7.173
108 HZ1 LYS 10 HZ1 LYS 10 -4.437 26.210 4.411
109 HZ2 LYS 10 HZ2 LYS 10 -6.017 26.041 4.801
110 HZ3 LYS 10 HZ3 LYS 10 -5.207 27.392 5.228
111 H ALA 11 H ALA 11 -3.331 27.644 11.857
112 HA ALA 11 HA ALA 11 -4.804 27.237 14.255
113 HB1 ALA 11 HB1 ALA 11 -3.216 29.090 13.891
114 HB2 ALA 11 HB2 ALA 11 -4.285 29.778 12.644
115 HB3 ALA 11 HB3 ALA 11 -4.809 29.706 14.347
116 H ASP 12 H ASP 12 -5.922 27.884 10.994
117 HA ASP 12 HA ASP 12 -8.694 28.502 11.700
118 HB2 ASP 12 HB2 ASP 12 -7.398 27.714 9.064
119 HB3 ASP 12 HB3 ASP 12 -9.060 28.278 9.247
120 H GLY 13 H GLY 13 -7.027 25.596 11.899
121 HA2 GLY 13 HA2 GLY 13 -7.832 23.530 12.516
122 HA3 GLY 13 HA3 GLY 13 -9.471 23.996 12.053
123 H GLY 14 H GLY 14 -7.706 24.745 9.376
124 HA2 GLY 14 HA2 GLY 14 -8.389 22.291 7.899
125 HA3 GLY 14 HA3 GLY 14 -7.690 23.761 7.232
126 H ARG 15 H ARG 15 -6.900 20.862 6.944
127 HA ARG 15 HA ARG 15 -4.158 20.889 8.123
128 HB2 ARG 15 HB2 ARG 15 -5.709 18.562 6.930
129 HB3 ARG 15 HB3 ARG 15 -4.071 18.502 7.600
130 HG2 ARG 15 HG2 ARG 15 -5.090 19.470 9.755
131 HG3 ARG 15 HG3 ARG 15 -6.665 19.037 9.085
132 HD2 ARG 15 HD2 ARG 15 -4.333 17.152 9.619
133 HD3 ARG 15 HD3 ARG 15 -5.794 17.323 10.617
134 HE ARG 15 HE ARG 15 -6.517 16.690 7.907
135 HH11 ARG 15 HH11 ARG 15 -5.191 15.108 10.724
136 HH12 ARG 15 HH12 ARG 15 -5.804 13.549 10.258
137 HH21 ARG 15 HH21 ARG 15 -7.305 14.671 7.375
138 HH22 ARG 15 HH22 ARG 15 -6.971 13.310 8.416
139 H VAL 16 H VAL 16 -2.355 20.269 6.957
140 HA VAL 16 HA VAL 16 -2.443 20.478 3.983
141 HB VAL 16 HB VAL 16 -0.478 22.050 5.692
142 HG11 VAL 16 HG11 VAL 16 0.605 21.326 3.638
143 HG12 VAL 16 HG12 VAL 16 -0.767 21.923 2.669
144 HG13 VAL 16 HG13 VAL 16 0.265 23.050 3.566
145 HG21 VAL 16 HG21 VAL 16 -2.653 23.183 5.713
146 HG22 VAL 16 HG22 VAL 16 -1.536 24.064 4.676
147 HG23 VAL 16 HG23 VAL 16 -2.781 23.037 3.950
148 H GLU 17 H GLU 17 -0.959 19.216 2.938
149 HA GLU 17 HA GLU 17 0.946 17.563 4.535
150 HB2 GLU 17 HB2 GLU 17 -0.939 16.613 2.354
151 HB3 GLU 17 HB3 GLU 17 0.406 15.661 3.015
152 HG2 GLU 17 HG2 GLU 17 -0.606 15.758 5.257
153 HG3 GLU 17 HG3 GLU 17 -1.980 16.669 4.620
154 H ILE 18 H ILE 18 2.913 17.275 3.689
155 HA ILE 18 HA ILE 18 3.539 18.189 0.905
156 HB ILE 18 HB ILE 18 4.968 18.941 3.475
157 HG12 ILE 18 HG12 ILE 18 3.970 20.855 1.337
158 HG13 ILE 18 HG13 ILE 18 2.907 20.314 2.621
159 HG21 ILE 18 HG21 ILE 18 6.609 20.155 2.004
160 HG22 ILE 18 HG22 ILE 18 6.682 18.411 1.786
161 HG23 ILE 18 HG23 ILE 18 5.841 19.414 0.585
162 HD11 ILE 18 HD11 ILE 18 4.397 21.156 4.349
163 HD12 ILE 18 HD12 ILE 18 5.521 21.763 3.107
164 HD13 ILE 18 HD13 ILE 18 3.880 22.430 3.233
165 H GLY 19 H GLY 19 3.922 16.252 0.003
166 HA2 GLY 19 HA2 GLY 19 5.622 14.181 1.253
167 HA3 GLY 19 HA3 GLY 19 4.909 14.141 -0.358
168 H ASP 20 H ASP 20 7.397 13.312 -0.307
169 HA ASP 20 HA ASP 20 9.448 13.547 -1.255
170 HB2 ASP 20 HB2 ASP 20 8.119 15.781 -2.816
171 HB3 ASP 20 HB3 ASP 20 9.543 14.874 -3.290
172 H VAL 21 H VAL 21 9.134 14.954 1.204
173 HA VAL 21 HA VAL 21 10.624 17.443 1.085
174 HB VAL 21 HB VAL 21 8.837 17.239 2.629
175 HG11 VAL 21 HG11 VAL 21 8.824 14.872 3.182
176 HG12 VAL 21 HG12 VAL 21 10.371 15.015 4.045
177 HG13 VAL 21 HG13 VAL 21 8.922 15.830 4.645
178 HG21 VAL 21 HG21 VAL 21 11.424 17.358 4.226
179 HG22 VAL 21 HG22 VAL 21 10.737 18.690 3.264
180 HG23 VAL 21 HG23 VAL 21 9.838 18.041 4.637
181 H LEU 22 H LEU 22 12.680 17.862 1.468
182 HA LEU 22 HA LEU 22 14.590 15.638 2.041
183 HB2 LEU 22 HB2 LEU 22 15.007 18.441 0.912
184 HB3 LEU 22 HB3 LEU 22 16.291 17.292 1.263
185 HG LEU 22 HG LEU 22 14.107 16.913 -0.826
186 HD11 LEU 22 HD11 LEU 22 15.789 18.593 -1.466
187 HD12 LEU 22 HD12 LEU 22 17.101 17.466 -1.034
188 HD13 LEU 22 HD13 LEU 22 16.037 17.104 -2.399
189 HD21 LEU 22 HD21 LEU 22 16.515 15.155 -0.162
190 HD22 LEU 22 HD22 LEU 22 14.809 14.718 0.065
191 HD23 LEU 22 HD23 LEU 22 15.438 14.961 -1.558
192 H GLU 23 H GLU 23 13.414 18.759 3.368
193 HA GLU 23 HA GLU 23 14.783 18.155 5.893
194 HB2 GLU 23 HB2 GLU 23 16.549 19.206 4.531
195 HB3 GLU 23 HB3 GLU 23 15.544 20.630 4.288
196 HG2 GLU 23 HG2 GLU 23 15.674 21.287 6.558
197 HG3 GLU 23 HG3 GLU 23 16.217 19.689 7.088
198 H VAL 24 H VAL 24 14.014 19.229 7.657
199 HA VAL 24 HA VAL 24 11.809 21.199 7.342
200 HB VAL 24 HB VAL 24 11.639 18.998 9.399
201 HG11 VAL 24 HG11 VAL 24 9.485 20.658 8.024
202 HG12 VAL 24 HG12 VAL 24 9.249 19.509 9.357
203 HG13 VAL 24 HG13 VAL 24 10.160 21.000 9.626
204 HG21 VAL 24 HG21 VAL 24 10.044 17.768 7.955
205 HG22 VAL 24 HG22 VAL 24 10.543 18.794 6.594
206 HG23 VAL 24 HG23 VAL 24 11.700 17.700 7.370
207 H ARG 25 H ARG 25 11.801 22.804 8.930
208 HA ARG 25 HA ARG 25 13.622 22.537 11.301
209 HB2 ARG 25 HB2 ARG 25 13.616 24.902 9.381
210 HB3 ARG 25 HB3 ARG 25 14.462 24.824 10.933
211 HG2 ARG 25 HG2 ARG 25 15.835 22.917 10.058
212 HG3 ARG 25 HG3 ARG 25 15.051 23.122 8.473
213 HD2 ARG 25 HD2 ARG 25 15.813 25.516 8.481
214 HD3 ARG 25 HD3 ARG 25 16.701 25.195 9.977
215 HE ARG 25 HE ARG 25 17.418 23.320 7.868
216 HH11 ARG 25 HH11 ARG 25 18.130 26.602 8.907
217 HH12 ARG 25 HH12 ARG 25 19.659 26.608 8.065
218 HH21 ARG 25 HH21 ARG 25 19.240 23.379 6.865
219 HH22 ARG 25 HH22 ARG 25 20.283 24.798 6.869
220 H ALA 26 H ALA 26 12.855 23.383 13.125
221 HA ALA 26 HA ALA 26 10.520 25.259 13.093
222 HB1 ALA 26 HB1 ALA 26 11.698 23.588 15.351
223 HB2 ALA 26 HB2 ALA 26 10.325 24.705 15.482
224 HB3 ALA 26 HB3 ALA 26 10.192 23.243 14.476
225 H GLU 27 H GLU 27 11.181 27.347 13.075
226 HA GLU 27 HA GLU 27 13.499 28.280 14.656
227 HB2 GLU 27 HB2 GLU 27 14.497 27.273 12.646
228 HB3 GLU 27 HB3 GLU 27 13.466 28.267 11.608
229 HG2 GLU 27 HG2 GLU 27 14.547 30.308 12.433
230 HG3 GLU 27 HG3 GLU 27 15.521 29.354 13.567
231 H GLY 28 H GLY 28 13.266 30.395 15.271
232 HA2 GLY 28 HA2 GLY 28 12.506 32.563 15.375
233 HA3 GLY 28 HA3 GLY 28 12.280 32.463 13.621
234 H GLY 29 H GLY 29 10.424 30.399 15.827
235 HA2 GLY 29 HA2 GLY 29 8.217 30.477 16.541
236 HA3 GLY 29 HA3 GLY 29 8.031 32.097 15.870
237 H ALA 30 H ALA 30 9.243 29.712 13.641
238 HA ALA 30 HA ALA 30 6.549 28.955 12.649
239 HB1 ALA 30 HB1 ALA 30 7.143 29.665 10.362
240 HB2 ALA 30 HB2 ALA 30 7.199 31.056 11.463
241 HB3 ALA 30 HB3 ALA 30 8.708 30.276 10.949
242 H VAL 31 H VAL 31 6.558 27.117 11.240
243 HA VAL 31 HA VAL 31 9.120 25.572 11.194
244 HB VAL 31 HB VAL 31 6.320 24.498 10.807
245 HG11 VAL 31 HG11 VAL 31 9.053 23.158 10.499
246 HG12 VAL 31 HG12 VAL 31 7.555 22.268 10.747
247 HG13 VAL 31 HG13 VAL 31 7.753 23.253 9.287
248 HG21 VAL 31 HG21 VAL 31 7.139 24.918 13.163
249 HG22 VAL 31 HG22 VAL 31 6.824 23.205 12.819
250 HG23 VAL 31 HG23 VAL 31 8.492 23.844 12.845
251 H ARG 32 H ARG 32 10.091 25.060 9.350
252 HA ARG 32 HA ARG 32 8.877 25.899 6.754
253 HB2 ARG 32 HB2 ARG 32 11.758 26.252 7.661
254 HB3 ARG 32 HB3 ARG 32 11.191 26.504 6.002
255 HG2 ARG 32 HG2 ARG 32 9.695 28.306 6.730
256 HG3 ARG 32 HG3 ARG 32 10.131 28.013 8.419
257 HD2 ARG 32 HD2 ARG 32 12.562 28.530 7.752
258 HD3 ARG 32 HD3 ARG 32 11.914 29.080 6.208
259 HE ARG 32 HE ARG 32 11.178 31.023 7.223
260 HH11 ARG 32 HH11 ARG 32 11.760 28.708 9.783
261 HH12 ARG 32 HH12 ARG 32 11.393 29.849 11.049
262 HH21 ARG 32 HH21 ARG 32 10.830 32.479 8.904
263 HH22 ARG 32 HH22 ARG 32 10.988 31.939 10.556
264 H VAL 33 H VAL 33 9.433 24.749 4.953
265 HA VAL 33 HA VAL 33 10.527 21.993 5.366
266 HB VAL 33 HB VAL 33 8.070 22.317 3.688
267 HG11 VAL 33 HG11 VAL 33 7.654 20.020 4.431
268 HG12 VAL 33 HG12 VAL 33 9.187 20.248 3.596
269 HG13 VAL 33 HG13 VAL 33 9.161 20.099 5.380
270 HG21 VAL 33 HG21 VAL 33 6.587 21.747 5.590
271 HG22 VAL 33 HG22 VAL 33 7.930 22.002 6.711
272 HG23 VAL 33 HG23 VAL 33 7.274 23.361 5.774
273 H THR 34 H THR 34 11.741 21.257 3.675
274 HA THR 34 HA THR 34 11.734 22.822 1.102
275 HB THR 34 HB THR 34 14.137 21.560 2.476
276 HG1 THR 34 HG1 THR 34 13.460 23.457 3.488
277 HG21 THR 34 HG21 THR 34 13.900 23.228 -0.063
278 HG22 THR 34 HG22 THR 34 15.426 22.797 0.746
279 HG23 THR 34 HG23 THR 34 14.413 21.530 0.034
280 H THR 35 H THR 35 11.307 21.693 -0.683
281 HA THR 35 HA THR 35 11.189 18.714 -0.532
282 HB THR 35 HB THR 35 9.763 18.804 -2.456
283 HG1 THR 35 HG1 THR 35 10.083 21.613 -2.384
284 HG21 THR 35 HG21 THR 35 8.842 20.954 -0.505
285 HG22 THR 35 HG22 THR 35 7.833 19.994 -1.610
286 HG23 THR 35 HG23 THR 35 8.674 19.197 -0.275
287 H LEU 36 H LEU 36 11.752 17.441 -2.450
288 HA LEU 36 HA LEU 36 14.363 18.032 -3.490
289 HB2 LEU 36 HB2 LEU 36 14.187 15.976 -4.681
290 HB3 LEU 36 HB3 LEU 36 13.475 15.792 -3.096
291 HG LEU 36 HG LEU 36 11.169 16.170 -4.294
292 HD11 LEU 36 HD11 LEU 36 11.111 15.243 -6.602
293 HD12 LEU 36 HD12 LEU 36 11.944 16.781 -6.561
294 HD13 LEU 36 HD13 LEU 36 12.897 15.292 -6.657
295 HD21 LEU 36 HD21 LEU 36 12.836 13.651 -4.727
296 HD22 LEU 36 HD22 LEU 36 11.894 14.066 -3.271
297 HD23 LEU 36 HD23 LEU 36 11.061 13.736 -4.797
298 H PHE 37 H PHE 37 11.349 19.229 -4.553
299 HA PHE 37 HA PHE 37 12.145 19.772 -7.315
300 HB2 PHE 37 HB2 PHE 37 9.888 20.979 -5.691
301 HB3 PHE 37 HB3 PHE 37 10.042 20.959 -7.437
302 HD1 PHE 37 HD1 PHE 37 8.581 19.318 -4.640
303 HD2 PHE 37 HD2 PHE 37 10.193 18.564 -8.569
304 HE1 PHE 37 HE1 PHE 37 7.365 17.156 -4.731
305 HE2 PHE 37 HE2 PHE 37 8.957 16.411 -8.658
306 HZ PHE 37 HZ PHE 37 7.535 15.706 -6.742
307 H ASP 38 H ASP 38 13.337 20.991 -4.514
308 HA ASP 38 HA ASP 38 14.285 22.820 -3.713
309 HB2 ASP 38 HB2 ASP 38 14.381 23.997 -6.506
310 HB3 ASP 38 HB3 ASP 38 15.326 24.500 -5.117
311 H GLU 39 H GLU 39 11.248 22.696 -4.366
312 HA GLU 39 HA GLU 39 10.478 25.495 -3.944
313 HB2 GLU 39 HB2 GLU 39 9.024 24.082 -5.312
314 HB3 GLU 39 HB3 GLU 39 8.879 22.918 -4.010
315 HG2 GLU 39 HG2 GLU 39 6.858 24.132 -4.105
316 HG3 GLU 39 HG3 GLU 39 7.678 24.632 -2.638
317 H GLU 40 H GLU 40 9.733 26.346 -2.045
318 HA GLU 40 HA GLU 40 10.233 24.814 0.467
319 HB2 GLU 40 HB2 GLU 40 10.920 27.705 -0.137
320 HB3 GLU 40 HB3 GLU 40 11.008 26.952 1.467
321 HG2 GLU 40 HG2 GLU 40 12.712 25.372 0.689
322 HG3 GLU 40 HG3 GLU 40 12.587 26.003 -0.951
323 H HIS 41 H HIS 41 8.997 25.257 2.226
324 HA HIS 41 HA HIS 41 6.515 26.894 1.898
325 HB2 HIS 41 HB2 HIS 41 6.639 24.164 3.213
326 HB3 HIS 41 HB3 HIS 41 5.213 25.139 2.892
327 HD2 HIS 41 HD2 HIS 41 7.594 22.647 1.243
328 HE1 HIS 41 HE1 HIS 41 4.723 23.651 -1.749
329 HE2 HIS 41 HE2 HIS 41 6.649 22.095 -1.153
330 H ALA 42 H ALA 42 5.609 27.717 3.866
331 HA ALA 42 HA ALA 42 7.223 27.516 6.328
332 HB1 ALA 42 HB1 ALA 42 8.290 29.314 5.004
333 HB2 ALA 42 HB2 ALA 42 6.723 30.156 4.887
334 HB3 ALA 42 HB3 ALA 42 7.513 29.952 6.465
335 H PHE 43 H PHE 43 6.099 27.769 8.139
336 HA PHE 43 HA PHE 43 3.231 28.615 8.084
337 HB2 PHE 43 HB2 PHE 43 4.343 26.007 9.142
338 HB3 PHE 43 HB3 PHE 43 2.663 26.539 9.260
339 HD1 PHE 43 HD1 PHE 43 5.178 24.914 7.214
340 HD2 PHE 43 HD2 PHE 43 1.318 26.826 7.120
341 HE1 PHE 43 HE1 PHE 43 4.722 23.883 5.001
342 HE2 PHE 43 HE2 PHE 43 0.861 25.811 4.894
343 HZ PHE 43 HZ PHE 43 2.568 24.341 3.828
344 HA PRO 44 HA PRO 44 5.068 30.548 11.826
345 HB2 PRO 44 HB2 PRO 44 2.547 32.155 11.441
346 HB3 PRO 44 HB3 PRO 44 4.181 32.710 11.921
347 HG2 PRO 44 HG2 PRO 44 3.328 33.066 9.378
348 HG3 PRO 44 HG3 PRO 44 4.988 32.453 9.672
349 HD2 PRO 44 HD2 PRO 44 2.485 30.861 9.008
350 HD3 PRO 44 HD3 PRO 44 4.104 30.768 8.256
351 H GLY 45 H GLY 45 4.565 30.388 13.976
352 HA2 GLY 45 HA2 GLY 45 3.365 29.976 15.911
353 HA3 GLY 45 HA3 GLY 45 1.904 29.712 14.962
354 H LEU 46 H LEU 46 4.309 27.733 13.689
355 HA LEU 46 HA LEU 46 3.354 25.373 15.240
356 HB2 LEU 46 HB2 LEU 46 4.716 25.490 12.536
357 HB3 LEU 46 HB3 LEU 46 4.138 24.034 13.349
358 HG LEU 46 HG LEU 46 2.457 26.286 12.190
359 HD11 LEU 46 HD11 LEU 46 2.563 23.308 11.562
360 HD12 LEU 46 HD12 LEU 46 1.693 24.577 10.668
361 HD13 LEU 46 HD13 LEU 46 3.467 24.540 10.660
362 HD21 LEU 46 HD21 LEU 46 1.288 25.504 14.219
363 HD22 LEU 46 HD22 LEU 46 0.484 24.862 12.782
364 HD23 LEU 46 HD23 LEU 46 1.550 23.810 13.738
365 H ALA 47 H ALA 47 4.756 23.671 15.674
366 HA ALA 47 HA ALA 47 7.666 23.994 15.445
367 HB1 ALA 47 HB1 ALA 47 7.216 24.669 17.770
368 HB2 ALA 47 HB2 ALA 47 6.274 23.180 18.034
369 HB3 ALA 47 HB3 ALA 47 8.020 23.085 17.729
370 H ILE 48 H ILE 48 8.738 21.802 15.512
371 HA ILE 48 HA ILE 48 7.094 19.807 14.128
372 HB ILE 48 HB ILE 48 9.976 19.676 15.046
373 HG12 ILE 48 HG12 ILE 48 8.845 20.084 12.237
374 HG13 ILE 48 HG13 ILE 48 9.416 21.400 13.251
375 HG21 ILE 48 HG21 ILE 48 9.018 17.402 14.857
376 HG22 ILE 48 HG22 ILE 48 8.388 17.793 13.238
377 HG23 ILE 48 HG23 ILE 48 10.122 17.703 13.522
378 HD11 ILE 48 HD11 ILE 48 11.198 20.911 11.785
379 HD12 ILE 48 HD12 ILE 48 11.687 20.260 13.355
380 HD13 ILE 48 HD13 ILE 48 11.084 19.169 12.074
381 H GLY 49 H GLY 49 5.984 18.189 15.011
382 HA2 GLY 49 HA2 GLY 49 5.910 17.933 17.969
383 HA3 GLY 49 HA3 GLY 49 4.663 17.485 16.809
384 H ARG 50 H ARG 50 6.261 15.883 15.032
385 HA ARG 50 HA ARG 50 7.470 13.750 16.702
386 HB2 ARG 50 HB2 ARG 50 5.279 13.044 14.726
387 HB3 ARG 50 HB3 ARG 50 6.161 11.961 15.807
388 HG2 ARG 50 HG2 ARG 50 5.026 13.111 17.762
389 HG3 ARG 50 HG3 ARG 50 4.034 13.989 16.589
390 HD2 ARG 50 HD2 ARG 50 4.190 10.982 17.018
391 HD3 ARG 50 HD3 ARG 50 2.817 12.025 17.369
392 HE ARG 50 HE ARG 50 2.807 12.485 14.817
393 HH11 ARG 50 HH11 ARG 50 3.928 9.310 15.986
394 HH12 ARG 50 HH12 ARG 50 3.588 8.608 14.422
395 HH21 ARG 50 HH21 ARG 50 2.567 11.506 12.947
396 HH22 ARG 50 HH22 ARG 50 2.793 9.764 12.786
397 H VAL 51 H VAL 51 8.615 12.203 15.587
398 HA VAL 51 HA VAL 51 8.721 12.294 12.624
399 HB VAL 51 HB VAL 51 11.235 11.828 14.275
400 HG11 VAL 51 HG11 VAL 51 12.328 11.971 12.025
401 HG12 VAL 51 HG12 VAL 51 11.198 10.618 12.134
402 HG13 VAL 51 HG13 VAL 51 10.729 12.093 11.275
403 HG21 VAL 51 HG21 VAL 51 12.079 13.938 13.316
404 HG22 VAL 51 HG22 VAL 51 10.450 14.278 12.677
405 HG23 VAL 51 HG23 VAL 51 10.740 14.190 14.437
406 H ASP 52 H ASP 52 7.998 10.385 11.960
407 HA ASP 52 HA ASP 52 8.014 8.065 13.848
408 HB2 ASP 52 HB2 ASP 52 5.937 9.414 13.581
409 HB3 ASP 52 HB3 ASP 52 5.881 8.958 11.883
410 H LEU 53 H LEU 53 9.843 7.098 12.999
411 HA LEU 53 HA LEU 53 10.344 6.745 10.189
412 HB2 LEU 53 HB2 LEU 53 11.634 5.368 12.582
413 HB3 LEU 53 HB3 LEU 53 12.258 5.426 10.957
414 HG LEU 53 HG LEU 53 13.556 6.910 12.194
415 HD11 LEU 53 HD11 LEU 53 12.935 7.789 9.996
416 HD12 LEU 53 HD12 LEU 53 11.531 8.626 10.698
417 HD13 LEU 53 HD13 LEU 53 13.162 9.115 11.158
418 HD21 LEU 53 HD21 LEU 53 12.014 7.256 14.142
419 HD22 LEU 53 HD22 LEU 53 12.860 8.707 13.593
420 HD23 LEU 53 HD23 LEU 53 11.165 8.494 13.187
421 H ARG 54 H ARG 54 8.408 4.957 12.371
422 HA ARG 54 HA ARG 54 8.355 2.337 11.168
423 HB2 ARG 54 HB2 ARG 54 6.232 3.998 12.575
424 HB3 ARG 54 HB3 ARG 54 6.050 2.286 12.218
425 HG2 ARG 54 HG2 ARG 54 7.616 1.610 13.814
426 HG3 ARG 54 HG3 ARG 54 8.439 3.170 13.839
427 HD2 ARG 54 HD2 ARG 54 7.191 2.823 15.899
428 HD3 ARG 54 HD3 ARG 54 6.627 4.240 15.027
429 HE ARG 54 HE ARG 54 5.188 1.628 15.320
430 HH11 ARG 54 HH11 ARG 54 4.983 4.992 14.200
431 HH12 ARG 54 HH12 ARG 54 3.249 4.912 14.143
432 HH21 ARG 54 HH21 ARG 54 2.998 1.639 15.145
433 HH22 ARG 54 HH22 ARG 54 2.160 3.078 14.643
434 H SER 55 H SER 55 7.009 5.404 10.128
435 HA SER 55 HA SER 55 5.771 4.103 7.730
436 HB2 SER 55 HB2 SER 55 3.807 5.539 7.966
437 HB3 SER 55 HB3 SER 55 4.003 4.485 9.377
438 HG SER 55 HG SER 55 4.595 6.174 10.608
439 H GLY 56 H GLY 56 7.812 6.620 8.859
440 HA2 GLY 56 HA2 GLY 56 9.054 8.129 7.626
441 HA3 GLY 56 HA3 GLY 56 8.188 7.679 6.150
442 H VAL 57 H VAL 57 6.633 8.761 9.160
443 HA VAL 57 HA VAL 57 5.587 11.176 7.727
444 HB VAL 57 HB VAL 57 4.376 9.569 9.993
445 HG11 VAL 57 HG11 VAL 57 3.755 11.945 10.302
446 HG12 VAL 57 HG12 VAL 57 3.322 12.077 8.585
447 HG13 VAL 57 HG13 VAL 57 2.376 11.042 9.680
448 HG21 VAL 57 HG21 VAL 57 4.171 8.505 7.758
449 HG22 VAL 57 HG22 VAL 57 2.603 9.090 8.312
450 HG23 VAL 57 HG23 VAL 57 3.512 10.007 7.089
451 H ILE 58 H ILE 58 5.820 13.168 8.518
452 HA ILE 58 HA ILE 58 7.087 13.608 11.194
453 HB ILE 58 HB ILE 58 7.401 15.090 8.573
454 HG12 ILE 58 HG12 ILE 58 9.528 13.857 10.359
455 HG13 ILE 58 HG13 ILE 58 8.813 13.011 8.993
456 HG21 ILE 58 HG21 ILE 58 8.848 16.703 9.795
457 HG22 ILE 58 HG22 ILE 58 7.193 16.770 10.347
458 HG23 ILE 58 HG23 ILE 58 8.405 15.927 11.330
459 HD11 ILE 58 HD11 ILE 58 10.903 13.920 8.280
460 HD12 ILE 58 HD12 ILE 58 9.608 14.810 7.453
461 HD13 ILE 58 HD13 ILE 58 10.480 15.540 8.831
462 H SER 59 H SER 59 5.626 14.383 12.579
463 HA SER 59 HA SER 59 3.179 15.783 11.554
464 HB2 SER 59 HB2 SER 59 3.735 14.665 14.316
465 HB3 SER 59 HB3 SER 59 2.216 15.385 13.766
466 HG SER 59 HG SER 59 1.979 13.704 12.275
467 H LEU 60 H LEU 60 2.848 17.891 11.945
468 HA LEU 60 HA LEU 60 4.671 19.418 13.769
469 HB2 LEU 60 HB2 LEU 60 3.089 20.100 11.303
470 HB3 LEU 60 HB3 LEU 60 3.624 21.356 12.410
471 HG LEU 60 HG LEU 60 5.904 21.044 11.915
472 HD11 LEU 60 HD11 LEU 60 6.241 18.667 11.833
473 HD12 LEU 60 HD12 LEU 60 5.196 18.511 10.407
474 HD13 LEU 60 HD13 LEU 60 6.757 19.346 10.294
475 HD21 LEU 60 HD21 LEU 60 4.315 20.694 9.329
476 HD22 LEU 60 HD22 LEU 60 4.575 22.224 10.188
477 HD23 LEU 60 HD23 LEU 60 5.939 21.365 9.440
478 H ILE 61 H ILE 61 3.804 20.922 15.186
479 HA ILE 61 HA ILE 61 0.912 20.824 15.848
480 HB ILE 61 HB ILE 61 1.477 20.543 18.256
481 HG12 ILE 61 HG12 ILE 61 3.680 19.251 18.702
482 HG13 ILE 61 HG13 ILE 61 4.304 20.017 17.244
483 HG21 ILE 61 HG21 ILE 61 2.368 18.200 16.532
484 HG22 ILE 61 HG22 ILE 61 1.681 18.142 18.169
485 HG23 ILE 61 HG23 ILE 61 0.675 18.687 16.812
486 HD11 ILE 61 HD11 ILE 61 3.249 21.446 19.725
487 HD12 ILE 61 HD12 ILE 61 4.951 21.178 19.335
488 HD13 ILE 61 HD13 ILE 61 3.982 22.248 18.318
489 H GLU 62 H GLU 62 0.261 22.548 17.410
490 HA GLU 62 HA GLU 62 1.418 25.103 16.659
491 HB2 GLU 62 HB2 GLU 62 -1.002 24.723 17.076
492 HB3 GLU 62 HB3 GLU 62 -0.652 24.419 18.785
493 HG2 GLU 62 HG2 GLU 62 0.258 26.716 19.004
494 HG3 GLU 62 HG3 GLU 62 -0.035 26.996 17.279
495 H GLU 63 H GLU 63 2.871 26.356 17.724
496 HA GLU 63 HA GLU 63 4.533 25.064 19.688
497 HB2 GLU 63 HB2 GLU 63 5.995 26.904 19.420
498 HB3 GLU 63 HB3 GLU 63 5.359 26.448 17.850
499 HG2 GLU 63 HG2 GLU 63 4.795 28.548 17.443
500 HG3 GLU 63 HG3 GLU 63 3.594 28.475 18.716
501 H GLN 64 H GLN 64 1.718 26.677 20.229
502 HA GLN 64 HA GLN 64 2.374 27.081 23.103
503 HB2 GLN 64 HB2 GLN 64 0.729 29.014 21.423
504 HB3 GLN 64 HB3 GLN 64 0.875 29.052 23.186
505 HG2 GLN 64 HG2 GLN 64 3.321 29.421 22.977
506 HG3 GLN 64 HG3 GLN 64 3.165 29.382 21.219
507 HE21 GLN 64 HE21 GLN 64 3.790 31.472 20.733
508 HE22 GLN 64 HE22 GLN 64 2.912 32.897 21.316
509 H ASN 65 H ASN 65 0.731 26.673 24.543
510 HA ASN 65 HA ASN 65 -1.703 25.250 23.534
511 HB2 ASN 65 HB2 ASN 65 0.137 24.367 25.798
512 HB3 ASN 65 HB3 ASN 65 -1.382 23.595 25.331
513 HD21 ASN 65 HD21 ASN 65 -0.359 24.131 22.314
514 HD22 ASN 65 HD22 ASN 65 0.653 22.705 22.122
515 H ARG 66 H ARG 66 -1.879 27.868 24.082
516 HA ARG 66 HA ARG 66 -3.420 28.037 26.627
517 HB2 ARG 66 HB2 ARG 66 -2.513 30.217 27.130
518 HB3 ARG 66 HB3 ARG 66 -1.228 29.004 27.052
519 HG2 ARG 66 HG2 ARG 66 -0.631 29.825 24.765
520 HG3 ARG 66 HG3 ARG 66 -1.929 31.030 24.860
521 HD2 ARG 66 HD2 ARG 66 0.136 32.139 25.360
522 HD3 ARG 66 HD3 ARG 66 -0.817 32.047 26.846
523 HE ARG 66 HE ARG 66 0.919 29.789 26.756
524 HH11 ARG 66 HH11 ARG 66 1.266 33.262 27.037
525 HH12 ARG 66 HH12 ARG 66 2.776 33.133 27.911
526 HH21 ARG 66 HH21 ARG 66 2.830 29.698 27.887
527 HH22 ARG 66 HH22 ARG 66 3.620 31.173 28.393
528 H1 GLY -3 H1 GLY -3 26.119 4.497 -6.843
529 H2 GLY -3 H2 GLY -3 27.461 3.745 -6.272
530 H3 GLY -3 H3 GLY -3 26.808 5.003 -5.444
531 HA2 GLY -3 HA2 GLY -3 25.507 2.394 -5.876
532 HA3 GLY -3 HA3 GLY -3 26.292 2.901 -4.369
533 HA PRO -2 HA PRO -2 21.724 4.307 -4.666
534 HB2 PRO -2 HB2 PRO -2 20.448 2.418 -3.138
535 HB3 PRO -2 HB3 PRO -2 20.760 2.208 -4.889
536 HG2 PRO -2 HG2 PRO -2 22.422 1.170 -2.569
537 HG3 PRO -2 HG3 PRO -2 21.816 0.256 -3.987
538 HD2 PRO -2 HD2 PRO -2 24.332 1.244 -3.931
539 HD3 PRO -2 HD3 PRO -2 23.371 1.275 -5.438
540 H GLY -1 H GLY -1 20.492 5.241 -2.974
541 HA2 GLY -1 HA2 GLY -1 22.002 6.137 -0.618
542 HA3 GLY -1 HA3 GLY -1 20.409 6.661 -1.118
543 H SER 0 H SER 0 21.092 6.076 1.543
544 HA SER 0 HA SER 0 20.153 3.415 2.306
545 HB2 SER 0 HB2 SER 0 21.856 4.633 3.598
546 HB3 SER 0 HB3 SER 0 20.659 5.876 4.000
547 HG SER 0 HG SER 0 20.944 4.213 5.623
548 H MET 1 H MET 1 18.342 2.928 3.526
549 HA MET 1 HA MET 1 16.099 4.880 3.701
550 HB2 MET 1 HB2 MET 1 14.494 3.037 3.147
551 HB3 MET 1 HB3 MET 1 15.493 3.584 1.823
552 HG2 MET 1 HG2 MET 1 15.280 1.196 1.727
553 HG3 MET 1 HG3 MET 1 16.943 1.638 2.013
554 HE1 MET 1 HE1 MET 1 13.755 -0.153 3.368
555 HE2 MET 1 HE2 MET 1 14.159 -0.460 5.064
556 HE3 MET 1 HE3 MET 1 13.835 1.194 4.521
557 H CYS 2 H CYS 2 18.250 3.487 5.537
558 HA CYS 2 HA CYS 2 16.788 1.960 7.479
559 HB2 CYS 2 HB2 CYS 2 19.450 3.443 7.729
560 HB3 CYS 2 HB3 CYS 2 18.864 2.178 8.810
561 HG CYS 2 HG CYS 2 19.819 2.082 5.646
562 H MET 3 H MET 3 16.740 2.530 9.815
563 HA MET 3 HA MET 3 15.101 4.800 10.367
564 HB2 MET 3 HB2 MET 3 16.565 2.765 12.077
565 HB3 MET 3 HB3 MET 3 15.793 4.155 12.816
566 HG2 MET 3 HG2 MET 3 14.227 2.341 12.871
567 HG3 MET 3 HG3 MET 3 13.639 3.575 11.768
568 HE1 MET 3 HE1 MET 3 14.733 -0.148 12.220
569 HE2 MET 3 HE2 MET 3 15.192 -0.635 10.577
570 HE3 MET 3 HE3 MET 3 16.183 0.547 11.453
571 H ALA 4 H ALA 4 15.440 6.590 11.648
572 HA ALA 4 HA ALA 4 17.730 8.133 10.910
573 HB1 ALA 4 HB1 ALA 4 15.480 9.024 11.024
574 HB2 ALA 4 HB2 ALA 4 15.372 8.685 12.771
575 HB3 ALA 4 HB3 ALA 4 16.494 9.913 12.161
576 H LYS 5 H LYS 5 18.698 9.665 12.551
577 HA LYS 5 HA LYS 5 19.484 8.391 15.123
578 HB2 LYS 5 HB2 LYS 5 21.803 9.207 14.784
579 HB3 LYS 5 HB3 LYS 5 21.302 7.920 13.683
580 HG2 LYS 5 HG2 LYS 5 20.927 9.612 11.881
581 HG3 LYS 5 HG3 LYS 5 21.507 10.881 12.982
582 HD2 LYS 5 HD2 LYS 5 23.714 9.806 13.086
583 HD3 LYS 5 HD3 LYS 5 23.117 8.447 12.089
584 HE2 LYS 5 HE2 LYS 5 22.612 10.036 10.243
585 HE3 LYS 5 HE3 LYS 5 23.229 11.377 11.217
586 HZ1 LYS 5 HZ1 LYS 5 25.406 10.297 11.217
587 HZ2 LYS 5 HZ2 LYS 5 24.845 9.055 10.311
588 HZ3 LYS 5 HZ3 LYS 5 24.917 10.563 9.688
589 H VAL 6 H VAL 6 19.273 9.609 16.829
590 HA VAL 6 HA VAL 6 18.439 12.448 16.503
591 HB VAL 6 HB VAL 6 18.149 10.633 18.913
592 HG11 VAL 6 HG11 VAL 6 16.855 13.311 18.253
593 HG12 VAL 6 HG12 VAL 6 16.399 12.267 19.617
594 HG13 VAL 6 HG13 VAL 6 18.004 12.984 19.568
595 HG21 VAL 6 HG21 VAL 6 15.784 10.413 18.310
596 HG22 VAL 6 HG22 VAL 6 16.067 11.302 16.814
597 HG23 VAL 6 HG23 VAL 6 16.814 9.707 17.068
598 H VAL 7 H VAL 7 19.412 14.135 17.639
599 HA VAL 7 HA VAL 7 21.638 13.508 19.493
600 HB VAL 7 HB VAL 7 22.707 13.782 17.320
601 HG11 VAL 7 HG11 VAL 7 21.572 16.605 17.240
602 HG12 VAL 7 HG12 VAL 7 22.733 15.907 16.107
603 HG13 VAL 7 HG13 VAL 7 21.084 15.268 16.179
604 HG21 VAL 7 HG21 VAL 7 23.301 16.228 19.034
605 HG22 VAL 7 HG22 VAL 7 23.857 14.581 19.397
606 HG23 VAL 7 HG23 VAL 7 24.382 15.391 17.917
607 H LEU 8 H LEU 8 22.010 14.933 21.102
608 HA LEU 8 HA LEU 8 20.555 17.487 21.286
609 HB2 LEU 8 HB2 LEU 8 19.360 16.884 23.301
610 HB3 LEU 8 HB3 LEU 8 18.948 15.789 22.005
611 HG LEU 8 HG LEU 8 21.011 14.389 23.219
612 HD11 LEU 8 HD11 LEU 8 21.161 15.979 25.102
613 HD12 LEU 8 HD12 LEU 8 19.431 15.747 25.449
614 HD13 LEU 8 HD13 LEU 8 20.561 14.398 25.637
615 HD21 LEU 8 HD21 LEU 8 18.825 13.490 22.515
616 HD22 LEU 8 HD22 LEU 8 19.267 12.976 24.150
617 HD23 LEU 8 HD23 LEU 8 18.062 14.261 23.924
618 H THR 9 H THR 9 21.161 18.782 23.120
619 HA THR 9 HA THR 9 23.873 18.161 24.211
620 HB THR 9 HB THR 9 22.728 20.934 23.790
621 HG1 THR 9 HG1 THR 9 23.056 19.972 21.809
622 HG21 THR 9 HG21 THR 9 25.095 21.618 23.972
623 HG22 THR 9 HG22 THR 9 24.534 20.842 25.455
624 HG23 THR 9 HG23 THR 9 25.567 19.938 24.315
625 H LYS 10 H LYS 10 24.189 18.172 26.315
626 HA LYS 10 HA LYS 10 21.926 18.300 28.206
627 HB2 LYS 10 HB2 LYS 10 24.884 17.712 28.537
628 HB3 LYS 10 HB3 LYS 10 23.676 17.572 29.823
629 HG2 LYS 10 HG2 LYS 10 22.477 15.840 28.478
630 HG3 LYS 10 HG3 LYS 10 23.788 15.881 27.283
631 HD2 LYS 10 HD2 LYS 10 24.178 15.302 30.249
632 HD3 LYS 10 HD3 LYS 10 23.966 14.036 29.039
633 HE2 LYS 10 HE2 LYS 10 26.033 14.467 27.997
634 HE3 LYS 10 HE3 LYS 10 26.139 16.101 28.657
635 HZ1 LYS 10 HZ1 LYS 10 26.326 13.705 30.375
636 HZ2 LYS 10 HZ2 LYS 10 27.627 14.504 29.786
637 HZ3 LYS 10 HZ3 LYS 10 26.608 15.273 30.803
638 H ALA 11 H ALA 11 22.098 19.460 30.245
639 HA ALA 11 HA ALA 11 22.718 22.246 30.015
640 HB1 ALA 11 HB1 ALA 11 22.200 20.498 32.465
641 HB2 ALA 11 HB2 ALA 11 22.123 22.273 32.415
642 HB3 ALA 11 HB3 ALA 11 20.972 21.318 31.469
643 H ASP 12 H ASP 12 24.709 19.517 31.071
644 HA ASP 12 HA ASP 12 26.776 21.183 32.289
645 HB2 ASP 12 HB2 ASP 12 27.958 19.142 32.671
646 HB3 ASP 12 HB3 ASP 12 26.283 18.956 33.137
647 H GLY 13 H GLY 13 25.951 20.819 29.102
648 HA2 GLY 13 HA2 GLY 13 27.019 21.765 27.275
649 HA3 GLY 13 HA3 GLY 13 28.568 21.754 28.125
650 H GLY 14 H GLY 14 27.564 18.655 28.553
651 HA2 GLY 14 HA2 GLY 14 29.061 17.517 26.293
652 HA3 GLY 14 HA3 GLY 14 28.251 16.644 27.584
653 H ARG 15 H ARG 15 28.020 15.600 25.143
654 HA ARG 15 HA ARG 15 25.213 16.177 24.279
655 HB2 ARG 15 HB2 ARG 15 27.650 15.831 22.492
656 HB3 ARG 15 HB3 ARG 15 25.983 15.611 21.918
657 HG2 ARG 15 HG2 ARG 15 25.411 17.877 22.673
658 HG3 ARG 15 HG3 ARG 15 27.084 18.158 23.176
659 HD2 ARG 15 HD2 ARG 15 27.872 18.024 20.914
660 HD3 ARG 15 HD3 ARG 15 26.294 17.453 20.326
661 HE ARG 15 HE ARG 15 25.498 19.733 21.409
662 HH11 ARG 15 HH11 ARG 15 28.308 19.346 19.333
663 HH12 ARG 15 HH12 ARG 15 28.195 20.994 18.761
664 HH21 ARG 15 HH21 ARG 15 25.435 21.762 20.674
665 HH22 ARG 15 HH22 ARG 15 26.620 22.341 19.529
666 H VAL 16 H VAL 16 24.050 14.583 23.313
667 HA VAL 16 HA VAL 16 24.874 11.760 23.834
668 HB VAL 16 HB VAL 16 22.249 13.060 24.625
669 HG11 VAL 16 HG11 VAL 16 21.775 10.799 23.794
670 HG12 VAL 16 HG12 VAL 16 23.060 10.139 24.833
671 HG13 VAL 16 HG13 VAL 16 21.598 10.866 25.542
672 HG21 VAL 16 HG21 VAL 16 24.403 11.755 26.324
673 HG22 VAL 16 HG22 VAL 16 24.013 13.493 26.264
674 HG23 VAL 16 HG23 VAL 16 22.836 12.355 26.916
675 H GLU 17 H GLU 17 24.173 10.295 22.346
676 HA GLU 17 HA GLU 17 22.487 11.213 20.076
677 HB2 GLU 17 HB2 GLU 17 25.108 9.690 19.897
678 HB3 GLU 17 HB3 GLU 17 23.957 9.881 18.563
679 HG2 GLU 17 HG2 GLU 17 24.242 12.321 18.631
680 HG3 GLU 17 HG3 GLU 17 25.345 12.187 20.005
681 H ILE 18 H ILE 18 21.118 9.729 19.192
682 HA ILE 18 HA ILE 18 21.038 6.952 20.314
683 HB ILE 18 HB ILE 18 18.620 8.761 20.069
684 HG12 ILE 18 HG12 ILE 18 19.672 7.695 22.718
685 HG13 ILE 18 HG13 ILE 18 20.208 9.250 22.089
686 HG21 ILE 18 HG21 ILE 18 18.156 6.349 19.650
687 HG22 ILE 18 HG22 ILE 18 18.909 5.930 21.191
688 HG23 ILE 18 HG23 ILE 18 17.413 6.883 21.148
689 HD11 ILE 18 HD11 ILE 18 17.934 10.101 21.952
690 HD12 ILE 18 HD12 ILE 18 17.306 8.579 22.647
691 HD13 ILE 18 HD13 ILE 18 18.374 9.615 23.601
692 H GLY 19 H GLY 19 21.486 5.767 18.552
693 HA2 GLY 19 HA2 GLY 19 20.388 6.401 15.882
694 HA3 GLY 19 HA3 GLY 19 21.449 5.063 16.309
695 H ASP 20 H ASP 20 19.505 4.455 14.653
696 HA ASP 20 HA ASP 20 17.899 2.900 14.234
697 HB2 ASP 20 HB2 ASP 20 18.773 1.761 16.896
698 HB3 ASP 20 HB3 ASP 20 18.007 0.892 15.573
699 H VAL 21 H VAL 21 16.776 5.268 15.438
700 HA VAL 21 HA VAL 21 14.772 4.452 17.356
701 HB VAL 21 HB VAL 21 13.910 6.694 17.218
702 HG11 VAL 21 HG11 VAL 21 16.931 6.548 17.498
703 HG12 VAL 21 HG12 VAL 21 15.887 7.819 18.141
704 HG13 VAL 21 HG13 VAL 21 15.726 6.160 18.745
705 HG21 VAL 21 HG21 VAL 21 14.950 8.463 15.963
706 HG22 VAL 21 HG22 VAL 21 16.104 7.338 15.224
707 HG23 VAL 21 HG23 VAL 21 14.367 7.232 14.841
708 H LEU 22 H LEU 22 12.702 3.975 17.179
709 HA LEU 22 HA LEU 22 11.472 3.558 14.505
710 HB2 LEU 22 HB2 LEU 22 10.500 3.067 17.358
711 HB3 LEU 22 HB3 LEU 22 9.544 2.748 15.914
712 HG LEU 22 HG LEU 22 12.145 1.359 16.650
713 HD11 LEU 22 HD11 LEU 22 10.234 0.707 18.069
714 HD12 LEU 22 HD12 LEU 22 9.241 0.432 16.616
715 HD13 LEU 22 HD13 LEU 22 10.630 -0.610 16.951
716 HD21 LEU 22 HD21 LEU 22 11.559 -0.197 14.778
717 HD22 LEU 22 HD22 LEU 22 10.249 0.908 14.301
718 HD23 LEU 22 HD23 LEU 22 11.946 1.430 14.207
719 H GLU 23 H GLU 23 11.215 5.733 17.306
720 HA GLU 23 HA GLU 23 9.740 7.678 15.739
721 HB2 GLU 23 HB2 GLU 23 7.938 6.071 16.419
722 HB3 GLU 23 HB3 GLU 23 8.327 6.390 18.111
723 HG2 GLU 23 HG2 GLU 23 7.679 8.740 17.850
724 HG3 GLU 23 HG3 GLU 23 7.458 8.522 16.111
725 H VAL 24 H VAL 24 9.722 9.697 16.604
726 HA VAL 24 HA VAL 24 10.787 10.233 19.342
727 HB VAL 24 HB VAL 24 11.411 11.856 16.861
728 HG11 VAL 24 HG11 VAL 24 12.464 12.107 19.706
729 HG12 VAL 24 HG12 VAL 24 13.055 13.018 18.299
730 HG13 VAL 24 HG13 VAL 24 11.400 13.248 18.866
731 HG21 VAL 24 HG21 VAL 24 13.752 11.137 17.081
732 HG22 VAL 24 HG22 VAL 24 13.265 9.936 18.294
733 HG23 VAL 24 HG23 VAL 24 12.677 9.825 16.624
734 H ARG 25 H ARG 25 9.601 11.762 20.455
735 HA ARG 25 HA ARG 25 7.456 13.308 19.041
736 HB2 ARG 25 HB2 ARG 25 7.054 11.743 21.623
737 HB3 ARG 25 HB3 ARG 25 5.877 12.785 20.825
738 HG2 ARG 25 HG2 ARG 25 5.913 11.189 18.848
739 HG3 ARG 25 HG3 ARG 25 6.967 10.128 19.800
740 HD2 ARG 25 HD2 ARG 25 5.231 10.083 21.605
741 HD3 ARG 25 HD3 ARG 25 4.161 11.035 20.564
742 HE ARG 25 HE ARG 25 4.777 8.922 18.942
743 HH11 ARG 25 HH11 ARG 25 3.300 9.027 22.127
744 HH12 ARG 25 HH12 ARG 25 2.665 7.416 21.960
745 HH21 ARG 25 HH21 ARG 25 4.173 6.849 18.905
746 HH22 ARG 25 HH22 ARG 25 3.076 6.230 20.124
747 H ALA 26 H ALA 26 7.278 15.338 19.686
748 HA ALA 26 HA ALA 26 8.600 16.315 22.168
749 HB1 ALA 26 HB1 ALA 26 8.945 17.625 20.107
750 HB2 ALA 26 HB2 ALA 26 7.185 17.823 19.932
751 HB3 ALA 26 HB3 ALA 26 8.038 18.545 21.314
752 H GLU 27 H GLU 27 7.417 17.228 23.826
753 HA GLU 27 HA GLU 27 4.464 17.296 23.750
754 HB2 GLU 27 HB2 GLU 27 4.198 16.037 25.789
755 HB3 GLU 27 HB3 GLU 27 4.989 15.042 24.573
756 HG2 GLU 27 HG2 GLU 27 7.137 15.264 25.675
757 HG3 GLU 27 HG3 GLU 27 6.519 16.505 26.769
758 H GLY 28 H GLY 28 3.883 18.048 26.279
759 HA2 GLY 28 HA2 GLY 28 4.550 20.796 26.358
760 HA3 GLY 28 HA3 GLY 28 3.707 19.889 27.611
761 H GLY 29 H GLY 29 6.861 20.757 26.364
762 HA2 GLY 29 HA2 GLY 29 8.656 21.683 27.555
763 HA3 GLY 29 HA3 GLY 29 7.986 21.109 29.078
764 H ALA 30 H ALA 30 8.352 18.802 26.394
765 HA ALA 30 HA ALA 30 11.044 18.005 27.113
766 HB1 ALA 30 HB1 ALA 30 8.751 16.112 27.853
767 HB2 ALA 30 HB2 ALA 30 10.480 15.749 27.980
768 HB3 ALA 30 HB3 ALA 30 9.757 16.985 29.020
769 H VAL 31 H VAL 31 11.826 16.144 25.921
770 HA VAL 31 HA VAL 31 10.149 15.264 23.592
771 HB VAL 31 HB VAL 31 13.150 15.658 23.611
772 HG11 VAL 31 HG11 VAL 31 12.787 13.605 22.370
773 HG12 VAL 31 HG12 VAL 31 11.407 14.316 21.501
774 HG13 VAL 31 HG13 VAL 31 13.041 14.904 21.210
775 HG21 VAL 31 HG21 VAL 31 12.707 17.197 21.757
776 HG22 VAL 31 HG22 VAL 31 10.966 16.815 21.813
777 HG23 VAL 31 HG23 VAL 31 11.734 17.670 23.153
778 H ARG 32 H ARG 32 10.078 13.130 23.115
779 HA ARG 32 HA ARG 32 11.406 11.124 24.906
780 HB2 ARG 32 HB2 ARG 32 8.480 11.311 24.090
781 HB3 ARG 32 HB3 ARG 32 9.211 9.844 24.768
782 HG2 ARG 32 HG2 ARG 32 9.602 10.858 26.887
783 HG3 ARG 32 HG3 ARG 32 9.385 12.489 26.259
784 HD2 ARG 32 HD2 ARG 32 7.451 11.917 27.553
785 HD3 ARG 32 HD3 ARG 32 7.001 12.057 25.841
786 HE ARG 32 HE ARG 32 7.608 9.318 26.556
787 HH11 ARG 32 HH11 ARG 32 5.044 11.721 26.831
788 HH12 ARG 32 HH12 ARG 32 3.805 10.490 26.972
789 HH21 ARG 32 HH21 ARG 32 5.973 7.829 26.722
790 HH22 ARG 32 HH22 ARG 32 4.321 8.350 26.901
791 H VAL 33 H VAL 33 11.908 9.152 23.917
792 HA VAL 33 HA VAL 33 11.348 8.749 21.056
793 HB VAL 33 HB VAL 33 13.039 10.070 20.506
794 HG11 VAL 33 HG11 VAL 33 14.607 9.488 22.997
795 HG12 VAL 33 HG12 VAL 33 15.150 10.527 21.667
796 HG13 VAL 33 HG13 VAL 33 13.729 10.981 22.605
797 HG21 VAL 33 HG21 VAL 33 14.747 7.644 21.145
798 HG22 VAL 33 HG22 VAL 33 13.754 7.876 19.678
799 HG23 VAL 33 HG23 VAL 33 15.125 8.932 20.002
800 H THR 34 H THR 34 11.767 6.724 20.239
801 HA THR 34 HA THR 34 12.487 4.597 22.237
802 HB THR 34 HB THR 34 10.108 4.462 20.352
803 HG1 THR 34 HG1 THR 34 9.687 5.865 22.045
804 HG21 THR 34 HG21 THR 34 9.509 2.477 21.785
805 HG22 THR 34 HG22 THR 34 10.956 2.230 20.815
806 HG23 THR 34 HG23 THR 34 11.106 2.584 22.554
807 H THR 35 H THR 35 13.750 2.966 21.521
808 HA THR 35 HA THR 35 14.693 2.979 18.717
809 HB THR 35 HB THR 35 16.483 1.600 19.446
810 HG1 THR 35 HG1 THR 35 16.598 0.839 21.531
811 HG21 THR 35 HG21 THR 35 17.582 3.019 21.063
812 HG22 THR 35 HG22 THR 35 16.633 4.034 19.975
813 HG23 THR 35 HG23 THR 35 16.040 3.686 21.616
814 H LEU 36 H LEU 36 15.088 0.991 17.528
815 HA LEU 36 HA LEU 36 12.816 -0.770 17.441
816 HB2 LEU 36 HB2 LEU 36 13.936 -1.866 15.631
817 HB3 LEU 36 HB3 LEU 36 14.130 -0.139 15.496
818 HG LEU 36 HG LEU 36 16.485 -0.479 16.549
819 HD11 LEU 36 HD11 LEU 36 16.364 -2.835 17.261
820 HD12 LEU 36 HD12 LEU 36 15.918 -3.331 15.615
821 HD13 LEU 36 HD13 LEU 36 17.524 -2.676 15.957
822 HD21 LEU 36 HD21 LEU 36 15.773 -1.584 13.786
823 HD22 LEU 36 HD22 LEU 36 16.061 0.121 14.192
824 HD23 LEU 36 HD23 LEU 36 17.390 -1.039 14.279
825 H PHE 37 H PHE 37 15.534 -0.892 19.484
826 HA PHE 37 HA PHE 37 14.998 -3.720 20.242
827 HB2 PHE 37 HB2 PHE 37 17.039 -3.558 21.595
828 HB3 PHE 37 HB3 PHE 37 17.279 -3.384 19.879
829 HD1 PHE 37 HD1 PHE 37 17.500 -1.685 23.133
830 HD2 PHE 37 HD2 PHE 37 18.018 -1.262 18.878
831 HE1 PHE 37 HE1 PHE 37 18.878 0.351 23.504
832 HE2 PHE 37 HE2 PHE 37 19.399 0.783 19.253
833 HZ PHE 37 HZ PHE 37 19.824 1.585 21.561
834 H ASP 38 H ASP 38 13.263 -1.288 20.707
835 HA ASP 38 HA ASP 38 11.721 -0.633 22.137
836 HB2 ASP 38 HB2 ASP 38 12.233 -3.186 23.676
837 HB3 ASP 38 HB3 ASP 38 10.772 -2.206 23.705
838 H GLU 39 H GLU 39 14.578 0.148 22.848
839 HA GLU 39 HA GLU 39 14.335 0.691 25.747
840 HB2 GLU 39 HB2 GLU 39 16.549 0.158 24.667
841 HB3 GLU 39 HB3 GLU 39 16.430 1.689 23.795
842 HG2 GLU 39 HG2 GLU 39 17.849 2.007 25.684
843 HG3 GLU 39 HG3 GLU 39 16.355 2.905 25.957
844 H GLU 40 H GLU 40 13.390 2.442 26.577
845 HA GLU 40 HA GLU 40 12.518 4.674 24.803
846 HB2 GLU 40 HB2 GLU 40 11.620 3.786 27.555
847 HB3 GLU 40 HB3 GLU 40 11.067 5.263 26.758
848 HG2 GLU 40 HG2 GLU 40 10.127 4.011 24.902
849 HG3 GLU 40 HG3 GLU 40 10.725 2.490 25.571
850 H HIS 41 H HIS 41 13.099 6.727 25.138
851 HA HIS 41 HA HIS 41 14.823 7.463 27.481
852 HB2 HIS 41 HB2 HIS 41 15.359 8.401 24.650
853 HB3 HIS 41 HB3 HIS 41 16.336 8.674 26.085
854 HD2 HIS 41 HD2 HIS 41 15.661 6.170 23.297
855 HE1 HIS 41 HE1 HIS 41 18.862 4.534 25.590
856 HE2 HIS 41 HE2 HIS 41 17.512 4.298 23.442
857 H ALA 42 H ALA 42 14.724 9.685 28.086
858 HA ALA 42 HA ALA 42 12.712 11.423 26.807
859 HB1 ALA 42 HB1 ALA 42 11.476 11.734 28.915
860 HB2 ALA 42 HB2 ALA 42 11.374 10.053 28.351
861 HB3 ALA 42 HB3 ALA 42 12.465 10.480 29.694
862 H PHE 43 H PHE 43 13.038 13.542 27.081
863 HA PHE 43 HA PHE 43 15.323 14.527 28.747
864 HB2 PHE 43 HB2 PHE 43 14.918 14.985 25.789
865 HB3 PHE 43 HB3 PHE 43 16.206 15.658 26.784
866 HD1 PHE 43 HD1 PHE 43 17.966 14.139 27.784
867 HD2 PHE 43 HD2 PHE 43 15.066 12.749 24.912
868 HE1 PHE 43 HE1 PHE 43 19.326 12.106 27.394
869 HE2 PHE 43 HE2 PHE 43 16.420 10.711 24.522
870 HZ PHE 43 HZ PHE 43 18.537 10.361 25.807
871 HA PRO 44 HA PRO 44 11.916 17.551 29.276
872 HB2 PRO 44 HB2 PRO 44 13.537 18.104 31.734
873 HB3 PRO 44 HB3 PRO 44 11.758 17.981 31.551
874 HG2 PRO 44 HG2 PRO 44 13.178 15.937 32.644
875 HG3 PRO 44 HG3 PRO 44 11.864 15.588 31.461
876 HD2 PRO 44 HD2 PRO 44 14.855 15.761 30.968
877 HD3 PRO 44 HD3 PRO 44 13.704 14.499 30.453
878 H GLY 45 H GLY 45 11.869 19.735 28.993
879 HA2 GLY 45 HA2 GLY 45 12.579 21.927 28.707
880 HA3 GLY 45 HA3 GLY 45 14.246 21.456 29.039
881 H LEU 46 H LEU 46 13.132 19.364 26.672
882 HA LEU 46 HA LEU 46 14.342 20.980 24.495
883 HB2 LEU 46 HB2 LEU 46 13.894 17.984 24.635
884 HB3 LEU 46 HB3 LEU 46 14.715 18.854 23.347
885 HG LEU 46 HG LEU 46 15.704 18.449 26.197
886 HD11 LEU 46 HD11 LEU 46 16.930 17.715 23.505
887 HD12 LEU 46 HD12 LEU 46 17.479 17.228 25.127
888 HD13 LEU 46 HD13 LEU 46 15.955 16.604 24.479
889 HD21 LEU 46 HD21 LEU 46 17.777 19.624 25.456
890 HD22 LEU 46 HD22 LEU 46 16.949 20.122 23.969
891 HD23 LEU 46 HD23 LEU 46 16.386 20.706 25.563
892 H ALA 47 H ALA 47 13.620 20.709 22.368
893 HA ALA 47 HA ALA 47 11.011 19.555 21.741
894 HB1 ALA 47 HB1 ALA 47 10.336 21.576 20.422
895 HB2 ALA 47 HB2 ALA 47 10.396 21.873 22.174
896 HB3 ALA 47 HB3 ALA 47 11.709 22.464 21.141
897 H ILE 48 H ILE 48 10.816 19.219 19.335
898 HA ILE 48 HA ILE 48 13.388 18.426 18.173
899 HB ILE 48 HB ILE 48 10.592 18.365 17.006
900 HG12 ILE 48 HG12 ILE 48 12.143 15.947 17.993
901 HG13 ILE 48 HG13 ILE 48 11.099 16.849 19.074
902 HG21 ILE 48 HG21 ILE 48 13.201 17.118 16.019
903 HG22 ILE 48 HG22 ILE 48 11.599 16.768 15.335
904 HG23 ILE 48 HG23 ILE 48 12.267 18.382 15.211
905 HD11 ILE 48 HD11 ILE 48 10.201 15.438 16.533
906 HD12 ILE 48 HD12 ILE 48 9.859 14.972 18.207
907 HD13 ILE 48 HD13 ILE 48 9.167 16.468 17.560
908 H GLY 49 H GLY 49 14.703 19.713 17.042
909 HA2 GLY 49 HA2 GLY 49 13.821 22.459 16.345
910 HA3 GLY 49 HA3 GLY 49 15.468 21.863 16.522
911 H ARG 50 H ARG 50 15.497 19.681 14.792
912 HA ARG 50 HA ARG 50 14.712 20.613 12.093
913 HB2 ARG 50 HB2 ARG 50 16.761 21.829 12.412
914 HB3 ARG 50 HB3 ARG 50 17.591 20.410 13.039
915 HG2 ARG 50 HG2 ARG 50 17.552 19.327 10.855
916 HG3 ARG 50 HG3 ARG 50 16.598 20.661 10.169
917 HD2 ARG 50 HD2 ARG 50 18.440 22.217 10.582
918 HD3 ARG 50 HD3 ARG 50 19.387 20.959 11.379
919 HE ARG 50 HE ARG 50 18.878 21.278 8.476
920 HH11 ARG 50 HH11 ARG 50 20.278 19.136 10.903
921 HH12 ARG 50 HH12 ARG 50 21.073 18.174 9.677
922 HH21 ARG 50 HH21 ARG 50 19.789 19.916 7.031
923 HH22 ARG 50 HH22 ARG 50 20.694 18.532 7.578
924 H VAL 51 H VAL 51 14.560 19.056 10.607
925 HA VAL 51 HA VAL 51 15.374 16.265 11.285
926 HB VAL 51 HB VAL 51 12.679 17.024 10.095
927 HG11 VAL 51 HG11 VAL 51 12.172 14.600 10.469
928 HG12 VAL 51 HG12 VAL 51 13.443 14.852 9.270
929 HG13 VAL 51 HG13 VAL 51 13.869 14.337 10.912
930 HG21 VAL 51 HG21 VAL 51 11.695 16.206 12.177
931 HG22 VAL 51 HG22 VAL 51 13.309 15.945 12.882
932 HG23 VAL 51 HG23 VAL 51 12.734 17.577 12.517
933 H ASP 52 H ASP 52 16.513 15.376 9.747
934 HA ASP 52 HA ASP 52 16.709 16.683 7.048
935 HB2 ASP 52 HB2 ASP 52 18.456 17.322 8.592
936 HB3 ASP 52 HB3 ASP 52 18.791 15.637 8.974
937 H LEU 53 H LEU 53 15.823 15.320 5.602
938 HA LEU 53 HA LEU 53 15.907 12.408 5.983
939 HB2 LEU 53 HB2 LEU 53 14.718 14.078 3.743
940 HB3 LEU 53 HB3 LEU 53 14.556 12.349 3.930
941 HG LEU 53 HG LEU 53 12.529 13.196 4.627
942 HD11 LEU 53 HD11 LEU 53 12.294 12.590 6.953
943 HD12 LEU 53 HD12 LEU 53 13.439 11.496 6.169
944 HD13 LEU 53 HD13 LEU 53 14.035 12.796 7.240
945 HD21 LEU 53 HD21 LEU 53 13.787 15.189 6.534
946 HD22 LEU 53 HD22 LEU 53 13.110 15.577 4.930
947 HD23 LEU 53 HD23 LEU 53 12.070 14.938 6.196
948 H ARG 54 H ARG 54 18.037 14.642 4.603
949 HA ARG 54 HA ARG 54 19.089 12.901 2.453
950 HB2 ARG 54 HB2 ARG 54 20.217 15.471 3.638
951 HB3 ARG 54 HB3 ARG 54 20.736 14.685 2.147
952 HG2 ARG 54 HG2 ARG 54 18.587 15.136 1.091
953 HG3 ARG 54 HG3 ARG 54 17.944 15.858 2.576
954 HD2 ARG 54 HD2 ARG 54 20.303 16.933 0.978
955 HD3 ARG 54 HD3 ARG 54 18.658 17.540 0.900
956 HE ARG 54 HE ARG 54 18.818 18.247 3.254
957 HH11 ARG 54 HH11 ARG 54 21.935 17.543 1.811
958 HH12 ARG 54 HH12 ARG 54 22.783 18.541 2.958
959 HH21 ARG 54 HH21 ARG 54 19.935 19.551 4.630
960 HH22 ARG 54 HH22 ARG 54 21.677 19.631 4.523
961 H SER 55 H SER 55 20.073 14.018 5.669
962 HA SER 55 HA SER 55 22.310 12.046 5.757
963 HB2 SER 55 HB2 SER 55 22.607 14.492 6.332
964 HB3 SER 55 HB3 SER 55 21.577 14.214 7.747
965 HG SER 55 HG SER 55 24.123 13.072 7.141
966 H GLY 56 H GLY 56 19.077 12.375 7.028
967 HA2 GLY 56 HA2 GLY 56 17.826 10.843 8.213
968 HA3 GLY 56 HA3 GLY 56 19.258 9.858 8.522
969 H VAL 57 H VAL 57 19.446 13.258 9.283
970 HA VAL 57 HA VAL 57 19.836 12.608 12.135
971 HB VAL 57 HB VAL 57 20.438 15.081 10.500
972 HG11 VAL 57 HG11 VAL 57 21.658 15.905 12.492
973 HG12 VAL 57 HG12 VAL 57 19.916 15.894 12.745
974 HG13 VAL 57 HG13 VAL 57 20.938 14.623 13.481
975 HG21 VAL 57 HG21 VAL 57 22.757 14.470 10.944
976 HG22 VAL 57 HG22 VAL 57 22.239 13.093 11.953
977 HG23 VAL 57 HG23 VAL 57 21.928 13.098 10.195
978 H ILE 58 H ILE 58 18.660 13.249 13.790
979 HA ILE 58 HA ILE 58 16.412 15.212 13.462
980 HB ILE 58 HB ILE 58 16.583 12.741 15.220
981 HG12 ILE 58 HG12 ILE 58 14.496 13.429 13.110
982 HG13 ILE 58 HG13 ILE 58 15.896 12.424 12.789
983 HG21 ILE 58 HG21 ILE 58 14.379 13.360 16.135
984 HG22 ILE 58 HG22 ILE 58 15.564 14.574 16.518
985 HG23 ILE 58 HG23 ILE 58 14.403 14.872 15.200
986 HD11 ILE 58 HD11 ILE 58 14.078 10.947 13.202
987 HD12 ILE 58 HD12 ILE 58 15.169 10.831 14.592
988 HD13 ILE 58 HD13 ILE 58 13.649 11.759 14.704
989 H SER 59 H SER 59 17.237 17.059 14.215
990 HA SER 59 HA SER 59 19.170 17.088 16.490
991 HB2 SER 59 HB2 SER 59 18.197 19.404 14.800
992 HB3 SER 59 HB3 SER 59 19.557 19.399 15.930
993 HG SER 59 HG SER 59 20.657 18.007 14.554
994 H LEU 60 H LEU 60 18.391 17.305 18.505
995 HA LEU 60 HA LEU 60 15.808 18.696 18.985
996 HB2 LEU 60 HB2 LEU 60 17.592 17.323 21.000
997 HB3 LEU 60 HB3 LEU 60 15.941 17.871 21.228
998 HG LEU 60 HG LEU 60 16.867 15.545 19.467
999 HD11 LEU 60 HD11 LEU 60 15.481 14.223 21.059
1000 HD12 LEU 60 HD12 LEU 60 16.804 15.060 21.886
1001 HD13 LEU 60 HD13 LEU 60 15.155 15.706 21.988
1002 HD21 LEU 60 HD21 LEU 60 14.982 16.600 18.332
1003 HD22 LEU 60 HD22 LEU 60 14.439 15.110 19.100
1004 HD23 LEU 60 HD23 LEU 60 14.067 16.678 19.851
1005 H ILE 61 H ILE 61 15.609 20.465 20.301
1006 HA ILE 61 HA ILE 61 18.024 22.028 21.083
1007 HB ILE 61 HB ILE 61 17.027 24.082 20.162
1008 HG12 ILE 61 HG12 ILE 61 15.451 23.734 18.136
1009 HG13 ILE 61 HG13 ILE 61 14.977 22.224 18.907
1010 HG21 ILE 61 HG21 ILE 61 18.813 22.821 19.005
1011 HG22 ILE 61 HG22 ILE 61 17.579 22.010 18.013
1012 HG23 ILE 61 HG23 ILE 61 17.799 23.768 17.908
1013 HD11 ILE 61 HD11 ILE 61 14.088 23.488 20.830
1014 HD12 ILE 61 HD12 ILE 61 14.758 24.991 20.149
1015 HD13 ILE 61 HD13 ILE 61 13.439 24.136 19.317
1016 H GLU 62 H GLU 62 17.476 23.819 22.625
1017 HA GLU 62 HA GLU 62 15.604 22.858 24.639
1018 HB2 GLU 62 HB2 GLU 62 17.132 25.476 24.445
1019 HB3 GLU 62 HB3 GLU 62 16.141 24.973 25.819
1020 HG2 GLU 62 HG2 GLU 62 17.603 22.941 26.078
1021 HG3 GLU 62 HG3 GLU 62 18.656 23.574 24.808
1022 H GLU 63 H GLU 63 13.526 23.501 25.067
1023 HA GLU 63 HA GLU 63 12.342 25.758 23.494
1024 HB2 GLU 63 HB2 GLU 63 10.192 25.025 24.163
1025 HB3 GLU 63 HB3 GLU 63 11.104 23.708 23.468
1026 HG2 GLU 63 HG2 GLU 63 10.003 22.680 25.210
1027 HG3 GLU 63 HG3 GLU 63 11.619 22.905 25.846
1028 H GLN 64 H GLN 64 13.840 25.125 26.475
1029 HA GLN 64 HA GLN 64 12.695 27.315 28.053
1030 HB2 GLN 64 HB2 GLN 64 15.169 25.539 28.318
1031 HB3 GLN 64 HB3 GLN 64 14.746 26.768 29.502
1032 HG2 GLN 64 HG2 GLN 64 12.949 24.420 28.760
1033 HG3 GLN 64 HG3 GLN 64 14.016 24.486 30.156
1034 HE21 GLN 64 HE21 GLN 64 10.834 24.797 29.388
1035 HE22 GLN 64 HE22 GLN 64 10.360 25.905 30.684
1036 H ASN 65 H ASN 65 14.483 28.823 29.045
1037 HA ASN 65 HA ASN 65 15.736 30.675 28.869
1038 HB2 ASN 65 HB2 ASN 65 17.323 28.765 27.137
1039 HB3 ASN 65 HB3 ASN 65 17.976 30.207 27.914
1040 HD21 ASN 65 HD21 ASN 65 18.100 26.982 28.250
1041 HD22 ASN 65 HD22 ASN 65 18.139 26.898 30.000
1042 H ARG 66 H ARG 66 13.584 30.734 26.941
1043 HA ARG 66 HA ARG 66 14.483 32.359 24.662
1044 HB2 ARG 66 HB2 ARG 66 11.736 31.950 25.919
1045 HB3 ARG 66 HB3 ARG 66 12.035 32.854 24.439
1046 HG2 ARG 66 HG2 ARG 66 12.563 29.881 24.831
1047 HG3 ARG 66 HG3 ARG 66 11.179 30.593 23.985
1048 HD2 ARG 66 HD2 ARG 66 12.756 31.641 22.349
1049 HD3 ARG 66 HD3 ARG 66 14.105 30.852 23.160
1050 HE ARG 66 HE ARG 66 12.143 29.634 21.353
1051 HH11 ARG 66 HH11 ARG 66 14.474 28.803 23.886
1052 HH12 ARG 66 HH12 ARG 66 14.706 27.221 23.184
1053 HH21 ARG 66 HH21 ARG 66 12.559 27.552 20.612
1054 HH22 ARG 66 HH22 ARG 66 13.696 26.563 21.512
Start of MODEL 14
1 H1 GLY -3 H1 GLY -3 21.335 3.397 -2.780
2 H2 GLY -3 H2 GLY -3 21.027 5.005 -2.716
3 H3 GLY -3 H3 GLY -3 22.082 4.410 -3.824
4 HA2 GLY -3 HA2 GLY -3 20.021 4.968 -4.897
5 HA3 GLY -3 HA3 GLY -3 20.339 3.225 -4.959
6 HA PRO -2 HA PRO -2 16.048 3.702 -3.289
7 HB2 PRO -2 HB2 PRO -2 14.909 1.582 -4.587
8 HB3 PRO -2 HB3 PRO -2 15.220 3.156 -5.376
9 HG2 PRO -2 HG2 PRO -2 16.959 0.667 -5.449
10 HG3 PRO -2 HG3 PRO -2 16.380 1.655 -6.840
11 HD2 PRO -2 HD2 PRO -2 18.846 2.018 -5.763
12 HD3 PRO -2 HD3 PRO -2 17.878 3.411 -6.327
13 H GLY -1 H GLY -1 14.773 2.344 -1.900
14 HA2 GLY -1 HA2 GLY -1 14.333 0.668 -0.357
15 HA3 GLY -1 HA3 GLY -1 15.753 -0.220 -0.894
16 H SER 0 H SER 0 15.068 -0.128 1.703
17 HA SER 0 HA SER 0 15.748 0.133 3.824
18 HB2 SER 0 HB2 SER 0 18.401 1.009 2.665
19 HB3 SER 0 HB3 SER 0 18.117 0.418 4.296
20 HG SER 0 HG SER 0 17.539 -1.594 3.479
21 H MET 1 H MET 1 15.925 3.060 2.003
22 HA MET 1 HA MET 1 15.178 4.643 4.357
23 HB2 MET 1 HB2 MET 1 16.881 6.357 3.976
24 HB3 MET 1 HB3 MET 1 17.602 4.810 4.418
25 HG2 MET 1 HG2 MET 1 18.220 4.388 2.080
26 HG3 MET 1 HG3 MET 1 17.369 5.840 1.559
27 HE1 MET 1 HE1 MET 1 20.443 4.386 3.499
28 HE2 MET 1 HE2 MET 1 21.338 5.859 3.958
29 HE3 MET 1 HE3 MET 1 19.793 5.476 4.746
30 H CYS 2 H CYS 2 14.368 6.764 3.793
31 HA CYS 2 HA CYS 2 13.895 7.532 1.029
32 HB2 CYS 2 HB2 CYS 2 11.443 7.451 1.139
33 HB3 CYS 2 HB3 CYS 2 12.126 5.828 1.272
34 HG CYS 2 HG CYS 2 11.893 5.531 3.815
35 H MET 3 H MET 3 12.682 9.590 0.879
36 HA MET 3 HA MET 3 13.276 11.484 3.019
37 HB2 MET 3 HB2 MET 3 11.772 11.696 0.386
38 HB3 MET 3 HB3 MET 3 11.778 12.988 1.590
39 HG2 MET 3 HG2 MET 3 13.484 13.591 0.151
40 HG3 MET 3 HG3 MET 3 14.293 12.933 1.566
41 HE1 MET 3 HE1 MET 3 14.206 11.217 -2.716
42 HE2 MET 3 HE2 MET 3 12.693 11.507 -1.829
43 HE3 MET 3 HE3 MET 3 13.774 12.859 -2.210
44 H ALA 4 H ALA 4 11.815 12.608 4.304
45 HA ALA 4 HA ALA 4 9.553 11.063 5.304
46 HB1 ALA 4 HB1 ALA 4 9.428 12.959 6.940
47 HB2 ALA 4 HB2 ALA 4 11.039 12.245 6.834
48 HB3 ALA 4 HB3 ALA 4 10.687 13.802 6.035
49 H LYS 5 H LYS 5 7.515 12.265 5.845
50 HA LYS 5 HA LYS 5 6.674 14.317 3.875
51 HB2 LYS 5 HB2 LYS 5 4.447 13.287 3.630
52 HB3 LYS 5 HB3 LYS 5 5.758 12.340 2.926
53 HG2 LYS 5 HG2 LYS 5 5.696 10.778 4.845
54 HG3 LYS 5 HG3 LYS 5 4.405 11.736 5.595
55 HD2 LYS 5 HD2 LYS 5 2.941 11.323 3.663
56 HD3 LYS 5 HD3 LYS 5 4.199 10.388 2.860
57 HE2 LYS 5 HE2 LYS 5 2.983 9.641 5.550
58 HE3 LYS 5 HE3 LYS 5 2.384 9.049 4.002
59 HZ1 LYS 5 HZ1 LYS 5 5.121 8.554 5.058
60 HZ2 LYS 5 HZ2 LYS 5 3.934 7.465 5.008
61 HZ3 LYS 5 HZ3 LYS 5 4.555 8.037 3.603
62 H VAL 6 H VAL 6 5.515 15.930 4.667
63 HA VAL 6 HA VAL 6 5.314 16.097 7.645
64 HB VAL 6 HB VAL 6 5.466 18.298 5.573
65 HG11 VAL 6 HG11 VAL 6 5.837 19.816 7.501
66 HG12 VAL 6 HG12 VAL 6 4.214 19.145 7.472
67 HG13 VAL 6 HG13 VAL 6 5.428 18.484 8.610
68 HG21 VAL 6 HG21 VAL 6 7.610 17.051 5.928
69 HG22 VAL 6 HG22 VAL 6 7.689 18.740 6.450
70 HG23 VAL 6 HG23 VAL 6 7.510 17.458 7.658
71 H VAL 7 H VAL 7 3.435 16.695 8.678
72 HA VAL 7 HA VAL 7 1.079 17.487 7.072
73 HB VAL 7 HB VAL 7 0.779 15.113 7.305
74 HG11 VAL 7 HG11 VAL 7 0.936 15.469 10.335
75 HG12 VAL 7 HG12 VAL 7 0.538 13.979 9.465
76 HG13 VAL 7 HG13 VAL 7 2.157 14.668 9.319
77 HG21 VAL 7 HG21 VAL 7 -1.224 16.636 7.558
78 HG22 VAL 7 HG22 VAL 7 -1.400 15.028 8.286
79 HG23 VAL 7 HG23 VAL 7 -1.092 16.438 9.319
80 H LEU 8 H LEU 8 -0.282 18.870 7.988
81 HA LEU 8 HA LEU 8 -0.088 19.677 10.810
82 HB2 LEU 8 HB2 LEU 8 0.471 21.976 10.353
83 HB3 LEU 8 HB3 LEU 8 1.688 20.929 9.650
84 HG LEU 8 HG LEU 8 0.111 21.221 7.452
85 HD11 LEU 8 HD11 LEU 8 -0.554 23.621 7.273
86 HD12 LEU 8 HD12 LEU 8 -1.510 22.770 8.478
87 HD13 LEU 8 HD13 LEU 8 -0.193 23.844 8.989
88 HD21 LEU 8 HD21 LEU 8 2.205 23.225 8.340
89 HD22 LEU 8 HD22 LEU 8 2.523 21.655 7.564
90 HD23 LEU 8 HD23 LEU 8 1.666 22.916 6.677
91 H THR 9 H THR 9 -1.783 21.282 11.380
92 HA THR 9 HA THR 9 -4.143 21.232 9.542
93 HB THR 9 HB THR 9 -4.303 20.892 12.541
94 HG1 THR 9 HG1 THR 9 -4.715 18.786 12.141
95 HG21 THR 9 HG21 THR 9 -6.650 20.225 12.046
96 HG22 THR 9 HG22 THR 9 -6.334 21.896 11.575
97 HG23 THR 9 HG23 THR 9 -6.380 20.624 10.330
98 H LYS 10 H LYS 10 -5.086 23.106 9.161
99 HA LYS 10 HA LYS 10 -3.952 25.591 10.191
100 HB2 LYS 10 HB2 LYS 10 -6.291 25.018 8.323
101 HB3 LYS 10 HB3 LYS 10 -5.597 26.618 8.613
102 HG2 LYS 10 HG2 LYS 10 -3.414 25.870 7.746
103 HG3 LYS 10 HG3 LYS 10 -4.065 24.262 7.420
104 HD2 LYS 10 HD2 LYS 10 -5.088 26.835 6.141
105 HD3 LYS 10 HD3 LYS 10 -3.912 25.722 5.407
106 HE2 LYS 10 HE2 LYS 10 -5.578 23.887 5.498
107 HE3 LYS 10 HE3 LYS 10 -6.762 24.993 6.214
108 HZ1 LYS 10 HZ1 LYS 10 -6.628 26.343 4.188
109 HZ2 LYS 10 HZ2 LYS 10 -5.550 25.303 3.526
110 HZ3 LYS 10 HZ3 LYS 10 -7.081 24.822 3.826
111 H ALA 11 H ALA 11 -5.324 27.380 10.970
112 HA ALA 11 HA ALA 11 -6.875 26.768 13.278
113 HB1 ALA 11 HB1 ALA 11 -7.339 29.193 13.276
114 HB2 ALA 11 HB2 ALA 11 -5.626 28.869 12.921
115 HB3 ALA 11 HB3 ALA 11 -6.738 29.318 11.611
116 H ASP 12 H ASP 12 -7.864 27.109 9.917
117 HA ASP 12 HA ASP 12 -10.723 27.226 10.415
118 HB2 ASP 12 HB2 ASP 12 -9.452 28.107 8.397
119 HB3 ASP 12 HB3 ASP 12 -9.260 26.437 7.861
120 H GLY 13 H GLY 13 -8.591 24.707 10.937
121 HA2 GLY 13 HA2 GLY 13 -9.055 22.525 11.580
122 HA3 GLY 13 HA3 GLY 13 -10.695 22.671 10.971
123 H GLY 14 H GLY 14 -8.848 23.618 8.396
124 HA2 GLY 14 HA2 GLY 14 -8.979 20.992 7.057
125 HA3 GLY 14 HA3 GLY 14 -8.532 22.533 6.327
126 H ARG 15 H ARG 15 -7.258 19.718 6.473
127 HA ARG 15 HA ARG 15 -4.636 20.266 7.722
128 HB2 ARG 15 HB2 ARG 15 -5.468 17.878 6.062
129 HB3 ARG 15 HB3 ARG 15 -3.998 18.058 7.011
130 HG2 ARG 15 HG2 ARG 15 -5.646 18.419 9.040
131 HG3 ARG 15 HG3 ARG 15 -6.834 17.647 7.978
132 HD2 ARG 15 HD2 ARG 15 -4.203 16.522 9.012
133 HD3 ARG 15 HD3 ARG 15 -5.818 15.910 9.348
134 HE ARG 15 HE ARG 15 -4.227 15.632 6.819
135 HH11 ARG 15 HH11 ARG 15 -7.258 14.699 8.360
136 HH12 ARG 15 HH12 ARG 15 -7.565 13.503 7.126
137 HH21 ARG 15 HH21 ARG 15 -4.661 14.270 5.390
138 HH22 ARG 15 HH22 ARG 15 -6.102 13.245 5.428
139 H VAL 16 H VAL 16 -2.665 20.022 6.658
140 HA VAL 16 HA VAL 16 -2.552 20.279 3.703
141 HB VAL 16 HB VAL 16 -0.891 22.004 5.580
142 HG11 VAL 16 HG11 VAL 16 -0.827 21.790 2.545
143 HG12 VAL 16 HG12 VAL 16 0.015 23.024 3.507
144 HG13 VAL 16 HG13 VAL 16 0.476 21.337 3.675
145 HG21 VAL 16 HG21 VAL 16 -3.129 22.953 5.316
146 HG22 VAL 16 HG22 VAL 16 -1.958 23.919 4.422
147 HG23 VAL 16 HG23 VAL 16 -3.013 22.784 3.547
148 H GLU 17 H GLU 17 -0.943 19.069 2.797
149 HA GLU 17 HA GLU 17 1.012 17.684 4.564
150 HB2 GLU 17 HB2 GLU 17 -0.642 16.335 2.385
151 HB3 GLU 17 HB3 GLU 17 0.750 15.642 3.210
152 HG2 GLU 17 HG2 GLU 17 -0.825 14.672 4.460
153 HG3 GLU 17 HG3 GLU 17 -0.586 16.111 5.419
154 H ILE 18 H ILE 18 2.989 17.207 3.682
155 HA ILE 18 HA ILE 18 3.618 18.191 0.924
156 HB ILE 18 HB ILE 18 5.281 18.750 3.392
157 HG12 ILE 18 HG12 ILE 18 3.988 20.927 1.707
158 HG13 ILE 18 HG13 ILE 18 3.118 20.209 3.058
159 HG21 ILE 18 HG21 ILE 18 6.697 20.088 1.851
160 HG22 ILE 18 HG22 ILE 18 6.645 18.407 1.335
161 HG23 ILE 18 HG23 ILE 18 5.668 19.623 0.490
162 HD11 ILE 18 HD11 ILE 18 4.893 20.784 4.624
163 HD12 ILE 18 HD12 ILE 18 5.810 21.582 3.320
164 HD13 ILE 18 HD13 ILE 18 4.228 22.207 3.802
165 H GLY 19 H GLY 19 4.457 16.529 -0.192
166 HA2 GLY 19 HA2 GLY 19 5.552 14.160 1.183
167 HA3 GLY 19 HA3 GLY 19 5.208 14.314 -0.532
168 H ASP 20 H ASP 20 7.512 13.192 0.712
169 HA ASP 20 HA ASP 20 9.729 13.013 0.434
170 HB2 ASP 20 HB2 ASP 20 9.076 14.347 -2.202
171 HB3 ASP 20 HB3 ASP 20 10.496 13.348 -1.855
172 H VAL 21 H VAL 21 9.527 14.968 2.201
173 HA VAL 21 HA VAL 21 10.984 17.352 1.385
174 HB VAL 21 HB VAL 21 10.894 18.053 3.650
175 HG11 VAL 21 HG11 VAL 21 8.229 16.867 2.749
176 HG12 VAL 21 HG12 VAL 21 8.440 18.127 3.960
177 HG13 VAL 21 HG13 VAL 21 8.931 18.447 2.298
178 HG21 VAL 21 HG21 VAL 21 11.201 15.876 4.851
179 HG22 VAL 21 HG22 VAL 21 9.895 16.866 5.469
180 HG23 VAL 21 HG23 VAL 21 9.512 15.475 4.448
181 H LEU 22 H LEU 22 13.046 17.919 1.690
182 HA LEU 22 HA LEU 22 15.052 15.839 2.387
183 HB2 LEU 22 HB2 LEU 22 15.341 18.707 1.400
184 HB3 LEU 22 HB3 LEU 22 16.674 17.596 1.705
185 HG LEU 22 HG LEU 22 14.564 17.291 -0.469
186 HD11 LEU 22 HD11 LEU 22 16.220 19.053 -0.905
187 HD12 LEU 22 HD12 LEU 22 17.554 17.929 -0.528
188 HD13 LEU 22 HD13 LEU 22 16.537 17.658 -1.951
189 HD21 LEU 22 HD21 LEU 22 15.279 15.067 0.304
190 HD22 LEU 22 HD22 LEU 22 15.962 15.419 -1.291
191 HD23 LEU 22 HD23 LEU 22 16.986 15.538 0.151
192 H GLU 23 H GLU 23 13.661 18.881 3.693
193 HA GLU 23 HA GLU 23 15.079 18.410 6.237
194 HB2 GLU 23 HB2 GLU 23 16.741 19.569 4.915
195 HB3 GLU 23 HB3 GLU 23 15.591 20.847 4.494
196 HG2 GLU 23 HG2 GLU 23 15.555 21.665 6.767
197 HG3 GLU 23 HG3 GLU 23 16.433 20.248 7.353
198 H VAL 24 H VAL 24 14.185 19.401 7.984
199 HA VAL 24 HA VAL 24 11.959 21.342 7.662
200 HB VAL 24 HB VAL 24 11.803 18.910 9.475
201 HG11 VAL 24 HG11 VAL 24 10.632 20.827 10.456
202 HG12 VAL 24 HG12 VAL 24 9.796 21.133 8.928
203 HG13 VAL 24 HG13 VAL 24 9.463 19.660 9.864
204 HG21 VAL 24 HG21 VAL 24 11.389 18.184 7.176
205 HG22 VAL 24 HG22 VAL 24 9.872 18.212 8.057
206 HG23 VAL 24 HG23 VAL 24 10.246 19.533 6.942
207 H ARG 25 H ARG 25 12.027 22.957 9.141
208 HA ARG 25 HA ARG 25 13.907 22.811 11.497
209 HB2 ARG 25 HB2 ARG 25 13.592 25.063 9.457
210 HB3 ARG 25 HB3 ARG 25 14.427 25.231 11.004
211 HG2 ARG 25 HG2 ARG 25 16.076 23.561 10.363
212 HG3 ARG 25 HG3 ARG 25 15.238 23.277 8.820
213 HD2 ARG 25 HD2 ARG 25 15.614 25.687 8.245
214 HD3 ARG 25 HD3 ARG 25 16.567 25.863 9.729
215 HE ARG 25 HE ARG 25 17.540 23.643 8.124
216 HH11 ARG 25 HH11 ARG 25 19.237 23.687 6.946
217 HH12 ARG 25 HH12 ARG 25 20.070 25.183 6.533
218 HH21 ARG 25 HH21 ARG 25 17.719 27.158 8.137
219 HH22 ARG 25 HH22 ARG 25 19.187 27.135 7.197
220 H ALA 26 H ALA 26 13.027 23.409 13.362
221 HA ALA 26 HA ALA 26 10.556 25.087 13.434
222 HB1 ALA 26 HB1 ALA 26 10.550 24.530 15.837
223 HB2 ALA 26 HB2 ALA 26 10.530 23.064 14.832
224 HB3 ALA 26 HB3 ALA 26 12.036 23.573 15.627
225 H GLU 27 H GLU 27 11.013 27.231 13.284
226 HA GLU 27 HA GLU 27 13.341 28.458 14.628
227 HB2 GLU 27 HB2 GLU 27 14.365 27.406 12.722
228 HB3 GLU 27 HB3 GLU 27 13.153 27.986 11.616
229 HG2 GLU 27 HG2 GLU 27 14.898 29.920 13.197
230 HG3 GLU 27 HG3 GLU 27 15.534 29.099 11.770
231 H GLY 28 H GLY 28 13.061 30.589 15.028
232 HA2 GLY 28 HA2 GLY 28 12.232 32.707 15.010
233 HA3 GLY 28 HA3 GLY 28 11.794 32.441 13.328
234 H GLY 29 H GLY 29 10.345 30.550 15.958
235 HA2 GLY 29 HA2 GLY 29 8.188 30.470 16.798
236 HA3 GLY 29 HA3 GLY 29 7.859 32.086 16.146
237 H ALA 30 H ALA 30 9.037 29.568 14.009
238 HA ALA 30 HA ALA 30 6.368 28.886 12.926
239 HB1 ALA 30 HB1 ALA 30 7.241 30.928 11.735
240 HB2 ALA 30 HB2 ALA 30 8.704 30.023 11.301
241 HB3 ALA 30 HB3 ALA 30 7.127 29.521 10.663
242 H VAL 31 H VAL 31 6.566 27.178 11.233
243 HA VAL 31 HA VAL 31 9.093 25.566 11.413
244 HB VAL 31 HB VAL 31 6.322 24.529 10.786
245 HG11 VAL 31 HG11 VAL 31 7.869 23.394 9.271
246 HG12 VAL 31 HG12 VAL 31 9.050 23.149 10.583
247 HG13 VAL 31 HG13 VAL 31 7.494 22.303 10.594
248 HG21 VAL 31 HG21 VAL 31 6.942 24.777 13.205
249 HG22 VAL 31 HG22 VAL 31 6.696 23.104 12.738
250 HG23 VAL 31 HG23 VAL 31 8.348 23.741 12.936
251 H ARG 32 H ARG 32 10.225 25.234 9.615
252 HA ARG 32 HA ARG 32 9.112 26.065 6.972
253 HB2 ARG 32 HB2 ARG 32 11.882 26.674 8.091
254 HB3 ARG 32 HB3 ARG 32 11.447 26.816 6.375
255 HG2 ARG 32 HG2 ARG 32 9.594 28.378 7.035
256 HG3 ARG 32 HG3 ARG 32 10.193 28.361 8.694
257 HD2 ARG 32 HD2 ARG 32 12.271 29.404 8.043
258 HD3 ARG 32 HD3 ARG 32 11.928 29.154 6.331
259 HE ARG 32 HE ARG 32 10.373 30.897 6.313
260 HH11 ARG 32 HH11 ARG 32 11.848 30.775 9.529
261 HH12 ARG 32 HH12 ARG 32 10.984 32.202 10.027
262 HH21 ARG 32 HH21 ARG 32 9.426 32.746 7.024
263 HH22 ARG 32 HH22 ARG 32 9.714 33.305 8.650
264 H VAL 33 H VAL 33 9.832 24.972 5.176
265 HA VAL 33 HA VAL 33 11.071 22.285 5.615
266 HB VAL 33 HB VAL 33 8.503 22.720 4.074
267 HG11 VAL 33 HG11 VAL 33 9.645 20.832 3.190
268 HG12 VAL 33 HG12 VAL 33 9.893 20.161 4.815
269 HG13 VAL 33 HG13 VAL 33 8.260 20.311 4.128
270 HG21 VAL 33 HG21 VAL 33 7.976 23.022 6.457
271 HG22 VAL 33 HG22 VAL 33 7.340 21.482 5.881
272 HG23 VAL 33 HG23 VAL 33 8.831 21.514 6.845
273 H THR 34 H THR 34 12.138 21.411 3.877
274 HA THR 34 HA THR 34 12.108 22.879 1.258
275 HB THR 34 HB THR 34 14.541 21.575 2.529
276 HG1 THR 34 HG1 THR 34 14.037 23.567 3.456
277 HG21 THR 34 HG21 THR 34 14.703 21.385 0.122
278 HG22 THR 34 HG22 THR 34 14.175 23.066 -0.104
279 HG23 THR 34 HG23 THR 34 15.753 22.710 0.629
280 H THR 35 H THR 35 11.694 21.651 -0.478
281 HA THR 35 HA THR 35 11.376 18.703 -0.169
282 HB THR 35 HB THR 35 10.025 18.772 -2.143
283 HG1 THR 35 HG1 THR 35 10.492 21.555 -2.215
284 HG21 THR 35 HG21 THR 35 9.170 21.071 -0.349
285 HG22 THR 35 HG22 THR 35 8.145 20.125 -1.462
286 HG23 THR 35 HG23 THR 35 8.866 19.343 -0.046
287 H LEU 36 H LEU 36 11.878 17.330 -2.078
288 HA LEU 36 HA LEU 36 14.571 17.603 -2.935
289 HB2 LEU 36 HB2 LEU 36 14.317 15.586 -3.999
290 HB3 LEU 36 HB3 LEU 36 13.198 15.480 -2.655
291 HG LEU 36 HG LEU 36 12.468 16.014 -5.582
292 HD11 LEU 36 HD11 LEU 36 13.231 13.705 -5.094
293 HD12 LEU 36 HD12 LEU 36 12.001 13.580 -3.812
294 HD13 LEU 36 HD13 LEU 36 11.508 13.764 -5.510
295 HD21 LEU 36 HD21 LEU 36 10.683 15.670 -3.135
296 HD22 LEU 36 HD22 LEU 36 10.780 17.085 -4.198
297 HD23 LEU 36 HD23 LEU 36 10.111 15.576 -4.808
298 H PHE 37 H PHE 37 11.810 19.150 -4.247
299 HA PHE 37 HA PHE 37 12.935 19.582 -6.929
300 HB2 PHE 37 HB2 PHE 37 10.590 20.923 -5.547
301 HB3 PHE 37 HB3 PHE 37 10.936 20.943 -7.270
302 HD1 PHE 37 HD1 PHE 37 8.822 19.515 -4.902
303 HD2 PHE 37 HD2 PHE 37 11.234 18.415 -8.307
304 HE1 PHE 37 HE1 PHE 37 7.409 17.508 -5.252
305 HE2 PHE 37 HE2 PHE 37 9.830 16.396 -8.646
306 HZ PHE 37 HZ PHE 37 7.907 15.937 -7.127
307 H ASP 38 H ASP 38 13.837 20.788 -3.991
308 HA ASP 38 HA ASP 38 14.728 22.601 -3.104
309 HB2 ASP 38 HB2 ASP 38 15.208 23.752 -5.862
310 HB3 ASP 38 HB3 ASP 38 15.980 24.234 -4.358
311 H GLU 39 H GLU 39 11.789 22.507 -4.076
312 HA GLU 39 HA GLU 39 11.000 25.330 -3.780
313 HB2 GLU 39 HB2 GLU 39 9.630 23.943 -5.215
314 HB3 GLU 39 HB3 GLU 39 9.436 22.738 -3.951
315 HG2 GLU 39 HG2 GLU 39 7.403 23.933 -4.165
316 HG3 GLU 39 HG3 GLU 39 8.086 24.332 -2.606
317 H GLU 40 H GLU 40 9.924 26.141 -1.962
318 HA GLU 40 HA GLU 40 10.494 24.745 0.624
319 HB2 GLU 40 HB2 GLU 40 11.182 27.610 -0.093
320 HB3 GLU 40 HB3 GLU 40 11.228 26.936 1.547
321 HG2 GLU 40 HG2 GLU 40 12.941 25.314 0.855
322 HG3 GLU 40 HG3 GLU 40 12.885 25.912 -0.809
323 H HIS 41 H HIS 41 9.308 25.334 2.403
324 HA HIS 41 HA HIS 41 6.786 26.879 1.984
325 HB2 HIS 41 HB2 HIS 41 6.890 24.171 3.342
326 HB3 HIS 41 HB3 HIS 41 5.472 25.153 3.007
327 HD2 HIS 41 HD2 HIS 41 7.747 22.557 1.436
328 HE1 HIS 41 HE1 HIS 41 4.984 23.641 -1.628
329 HE2 HIS 41 HE2 HIS 41 6.812 21.999 -0.959
330 H ALA 42 H ALA 42 5.814 27.676 3.945
331 HA ALA 42 HA ALA 42 7.363 27.539 6.452
332 HB1 ALA 42 HB1 ALA 42 7.591 29.984 6.582
333 HB2 ALA 42 HB2 ALA 42 8.437 29.351 5.152
334 HB3 ALA 42 HB3 ALA 42 6.864 30.160 4.966
335 H PHE 43 H PHE 43 6.179 27.779 8.226
336 HA PHE 43 HA PHE 43 3.307 28.593 8.082
337 HB2 PHE 43 HB2 PHE 43 4.361 26.024 9.273
338 HB3 PHE 43 HB3 PHE 43 2.681 26.573 9.250
339 HD1 PHE 43 HD1 PHE 43 5.368 24.939 7.387
340 HD2 PHE 43 HD2 PHE 43 1.452 26.724 7.027
341 HE1 PHE 43 HE1 PHE 43 5.081 23.851 5.182
342 HE2 PHE 43 HE2 PHE 43 1.161 25.640 4.815
343 HZ PHE 43 HZ PHE 43 2.961 24.193 3.889
344 HA PRO 44 HA PRO 44 5.067 30.573 11.838
345 HB2 PRO 44 HB2 PRO 44 2.640 32.280 11.338
346 HB3 PRO 44 HB3 PRO 44 4.284 32.773 11.836
347 HG2 PRO 44 HG2 PRO 44 3.505 33.107 9.268
348 HG3 PRO 44 HG3 PRO 44 5.140 32.447 9.626
349 HD2 PRO 44 HD2 PRO 44 2.612 30.920 8.919
350 HD3 PRO 44 HD3 PRO 44 4.264 30.751 8.231
351 H GLY 45 H GLY 45 4.480 30.420 13.955
352 HA2 GLY 45 HA2 GLY 45 3.175 30.059 15.850
353 HA3 GLY 45 HA3 GLY 45 1.747 29.860 14.840
354 H LEU 46 H LEU 46 4.075 27.775 13.596
355 HA LEU 46 HA LEU 46 3.015 25.475 15.144
356 HB2 LEU 46 HB2 LEU 46 4.457 25.503 12.477
357 HB3 LEU 46 HB3 LEU 46 3.822 24.078 13.295
358 HG LEU 46 HG LEU 46 2.234 26.355 12.039
359 HD11 LEU 46 HD11 LEU 46 1.400 24.611 10.585
360 HD12 LEU 46 HD12 LEU 46 3.168 24.506 10.599
361 HD13 LEU 46 HD13 LEU 46 2.221 23.349 11.540
362 HD21 LEU 46 HD21 LEU 46 0.194 25.085 12.659
363 HD22 LEU 46 HD22 LEU 46 1.183 24.008 13.674
364 HD23 LEU 46 HD23 LEU 46 1.015 25.732 14.079
365 H ALA 47 H ALA 47 4.345 23.750 15.694
366 HA ALA 47 HA ALA 47 7.268 23.966 15.546
367 HB1 ALA 47 HB1 ALA 47 6.756 24.869 17.786
368 HB2 ALA 47 HB2 ALA 47 5.780 23.422 18.160
369 HB3 ALA 47 HB3 ALA 47 7.528 23.280 17.926
370 H ILE 48 H ILE 48 8.299 21.812 15.869
371 HA ILE 48 HA ILE 48 6.748 19.680 14.586
372 HB ILE 48 HB ILE 48 9.553 19.637 15.736
373 HG12 ILE 48 HG12 ILE 48 8.904 19.742 12.770
374 HG13 ILE 48 HG13 ILE 48 9.058 21.223 13.698
375 HG21 ILE 48 HG21 ILE 48 8.607 17.362 15.560
376 HG22 ILE 48 HG22 ILE 48 8.109 17.688 13.890
377 HG23 ILE 48 HG23 ILE 48 9.821 17.591 14.312
378 HD11 ILE 48 HD11 ILE 48 11.171 20.776 12.682
379 HD12 ILE 48 HD12 ILE 48 11.328 20.570 14.437
380 HD13 ILE 48 HD13 ILE 48 11.238 19.146 13.371
381 H GLY 49 H GLY 49 5.461 18.279 15.662
382 HA2 GLY 49 HA2 GLY 49 5.554 18.178 18.643
383 HA3 GLY 49 HA3 GLY 49 4.201 17.740 17.594
384 H ARG 50 H ARG 50 5.560 15.984 15.813
385 HA ARG 50 HA ARG 50 6.702 13.768 17.395
386 HB2 ARG 50 HB2 ARG 50 4.326 13.496 17.840
387 HB3 ARG 50 HB3 ARG 50 3.923 13.650 16.141
388 HG2 ARG 50 HG2 ARG 50 5.009 11.492 15.641
389 HG3 ARG 50 HG3 ARG 50 5.568 11.363 17.319
390 HD2 ARG 50 HD2 ARG 50 3.202 11.350 18.092
391 HD3 ARG 50 HD3 ARG 50 2.657 11.450 16.420
392 HE ARG 50 HE ARG 50 4.039 9.120 17.721
393 HH11 ARG 50 HH11 ARG 50 2.290 10.207 14.847
394 HH12 ARG 50 HH12 ARG 50 2.257 8.570 14.224
395 HH21 ARG 50 HH21 ARG 50 3.868 7.211 16.916
396 HH22 ARG 50 HH22 ARG 50 3.277 6.970 15.256
397 H VAL 51 H VAL 51 7.741 12.241 16.205
398 HA VAL 51 HA VAL 51 7.623 12.373 13.241
399 HB VAL 51 HB VAL 51 10.241 12.020 14.721
400 HG11 VAL 51 HG11 VAL 51 9.561 12.390 11.775
401 HG12 VAL 51 HG12 VAL 51 11.196 12.302 12.445
402 HG13 VAL 51 HG13 VAL 51 10.130 10.898 12.535
403 HG21 VAL 51 HG21 VAL 51 10.869 14.248 13.781
404 HG22 VAL 51 HG22 VAL 51 9.193 14.491 13.259
405 HG23 VAL 51 HG23 VAL 51 9.584 14.368 14.991
406 H ASP 52 H ASP 52 6.997 10.476 12.507
407 HA ASP 52 HA ASP 52 7.385 7.997 14.155
408 HB2 ASP 52 HB2 ASP 52 5.106 8.874 14.074
409 HB3 ASP 52 HB3 ASP 52 5.084 8.777 12.321
410 H LEU 53 H LEU 53 9.183 7.134 13.278
411 HA LEU 53 HA LEU 53 9.807 7.388 10.464
412 HB2 LEU 53 HB2 LEU 53 11.230 5.858 12.671
413 HB3 LEU 53 HB3 LEU 53 11.823 6.117 11.045
414 HG LEU 53 HG LEU 53 12.996 7.588 12.385
415 HD11 LEU 53 HD11 LEU 53 12.453 9.822 11.518
416 HD12 LEU 53 HD12 LEU 53 12.280 8.570 10.266
417 HD13 LEU 53 HD13 LEU 53 10.842 9.271 11.048
418 HD21 LEU 53 HD21 LEU 53 10.479 8.796 13.569
419 HD22 LEU 53 HD22 LEU 53 11.564 7.649 14.369
420 HD23 LEU 53 HD23 LEU 53 12.150 9.242 13.892
421 H ARG 54 H ARG 54 7.766 5.216 11.968
422 HA ARG 54 HA ARG 54 8.238 2.804 10.451
423 HB2 ARG 54 HB2 ARG 54 5.613 3.939 11.516
424 HB3 ARG 54 HB3 ARG 54 5.891 2.276 10.992
425 HG2 ARG 54 HG2 ARG 54 7.481 1.912 12.831
426 HG3 ARG 54 HG3 ARG 54 7.330 3.605 13.336
427 HD2 ARG 54 HD2 ARG 54 4.833 3.179 13.616
428 HD3 ARG 54 HD3 ARG 54 5.166 1.465 13.374
429 HE ARG 54 HE ARG 54 6.102 1.343 15.513
430 HH11 ARG 54 HH11 ARG 54 5.790 4.807 14.754
431 HH12 ARG 54 HH12 ARG 54 5.845 5.173 16.485
432 HH21 ARG 54 HH21 ARG 54 6.235 2.092 17.655
433 HH22 ARG 54 HH22 ARG 54 6.100 3.827 17.935
434 H SER 55 H SER 55 6.697 5.825 9.629
435 HA SER 55 HA SER 55 6.598 4.983 6.771
436 HB2 SER 55 HB2 SER 55 4.325 4.730 7.856
437 HB3 SER 55 HB3 SER 55 4.326 6.477 8.128
438 HG SER 55 HG SER 55 4.283 5.017 5.698
439 H GLY 56 H GLY 56 8.132 6.959 8.753
440 HA2 GLY 56 HA2 GLY 56 9.337 8.888 8.502
441 HA3 GLY 56 HA3 GLY 56 8.950 8.851 6.771
442 H VAL 57 H VAL 57 6.538 9.119 9.422
443 HA VAL 57 HA VAL 57 5.472 11.559 8.107
444 HB VAL 57 HB VAL 57 4.347 9.865 10.361
445 HG11 VAL 57 HG11 VAL 57 3.542 12.171 10.652
446 HG12 VAL 57 HG12 VAL 57 3.175 12.283 8.913
447 HG13 VAL 57 HG13 VAL 57 2.246 11.191 9.960
448 HG21 VAL 57 HG21 VAL 57 3.495 10.251 7.455
449 HG22 VAL 57 HG22 VAL 57 4.309 8.813 8.101
450 HG23 VAL 57 HG23 VAL 57 2.682 9.225 8.658
451 H ILE 58 H ILE 58 5.932 13.532 8.731
452 HA ILE 58 HA ILE 58 6.911 14.134 11.504
453 HB ILE 58 HB ILE 58 7.236 15.556 8.845
454 HG12 ILE 58 HG12 ILE 58 9.325 14.535 10.820
455 HG13 ILE 58 HG13 ILE 58 8.782 13.635 9.403
456 HG21 ILE 58 HG21 ILE 58 6.799 17.306 10.499
457 HG22 ILE 58 HG22 ILE 58 7.987 16.594 11.620
458 HG23 ILE 58 HG23 ILE 58 8.493 17.330 10.081
459 HD11 ILE 58 HD11 ILE 58 9.573 15.556 7.959
460 HD12 ILE 58 HD12 ILE 58 10.354 16.232 9.411
461 HD13 ILE 58 HD13 ILE 58 10.833 14.646 8.797
462 H SER 59 H SER 59 5.281 14.688 12.797
463 HA SER 59 HA SER 59 2.850 16.043 11.696
464 HB2 SER 59 HB2 SER 59 3.292 14.766 14.410
465 HB3 SER 59 HB3 SER 59 1.784 15.480 13.823
466 HG SER 59 HG SER 59 3.151 13.190 12.802
467 H LEU 60 H LEU 60 2.681 18.166 11.901
468 HA LEU 60 HA LEU 60 4.254 19.641 13.960
469 HB2 LEU 60 HB2 LEU 60 2.613 20.822 11.725
470 HB3 LEU 60 HB3 LEU 60 3.834 21.611 12.716
471 HG LEU 60 HG LEU 60 4.315 19.512 10.555
472 HD11 LEU 60 HD11 LEU 60 3.817 21.773 9.736
473 HD12 LEU 60 HD12 LEU 60 5.061 22.453 10.794
474 HD13 LEU 60 HD13 LEU 60 5.521 21.375 9.457
475 HD21 LEU 60 HD21 LEU 60 6.737 19.931 10.958
476 HD22 LEU 60 HD22 LEU 60 6.323 20.876 12.401
477 HD23 LEU 60 HD23 LEU 60 5.959 19.135 12.326
478 H ILE 61 H ILE 61 3.316 21.141 15.318
479 HA ILE 61 HA ILE 61 0.382 21.085 15.792
480 HB ILE 61 HB ILE 61 0.800 20.846 18.232
481 HG12 ILE 61 HG12 ILE 61 2.900 19.483 18.848
482 HG13 ILE 61 HG13 ILE 61 3.646 20.117 17.389
483 HG21 ILE 61 HG21 ILE 61 1.649 18.444 16.571
484 HG22 ILE 61 HG22 ILE 61 0.919 18.424 18.182
485 HG23 ILE 61 HG23 ILE 61 -0.025 19.004 16.799
486 HD11 ILE 61 HD11 ILE 61 3.461 22.410 18.324
487 HD12 ILE 61 HD12 ILE 61 2.605 21.762 19.737
488 HD13 ILE 61 HD13 ILE 61 4.295 21.318 19.438
489 H GLU 62 H GLU 62 -0.348 22.878 17.229
490 HA GLU 62 HA GLU 62 1.006 25.389 16.585
491 HB2 GLU 62 HB2 GLU 62 -1.302 24.779 18.463
492 HB3 GLU 62 HB3 GLU 62 -0.696 26.396 18.079
493 HG2 GLU 62 HG2 GLU 62 -1.195 26.017 15.679
494 HG3 GLU 62 HG3 GLU 62 -1.837 24.419 16.057
495 H GLU 63 H GLU 63 2.467 26.521 17.775
496 HA GLU 63 HA GLU 63 3.942 25.025 19.717
497 HB2 GLU 63 HB2 GLU 63 5.426 26.895 19.810
498 HB3 GLU 63 HB3 GLU 63 5.002 26.541 18.136
499 HG2 GLU 63 HG2 GLU 63 3.946 28.550 17.828
500 HG3 GLU 63 HG3 GLU 63 3.323 28.633 19.461
501 H GLN 64 H GLN 64 1.301 27.185 20.253
502 HA GLN 64 HA GLN 64 1.574 26.866 23.187
503 HB2 GLN 64 HB2 GLN 64 1.050 29.570 21.888
504 HB3 GLN 64 HB3 GLN 64 0.986 29.201 23.619
505 HG2 GLN 64 HG2 GLN 64 3.413 28.653 23.596
506 HG3 GLN 64 HG3 GLN 64 3.486 29.057 21.883
507 HE21 GLN 64 HE21 GLN 64 4.430 31.058 21.578
508 HE22 GLN 64 HE22 GLN 64 4.177 32.432 22.667
509 H ASN 65 H ASN 65 -0.373 26.788 24.284
510 HA ASN 65 HA ASN 65 -2.759 26.258 22.622
511 HB2 ASN 65 HB2 ASN 65 -2.151 25.575 25.527
512 HB3 ASN 65 HB3 ASN 65 -3.572 25.061 24.622
513 HD21 ASN 65 HD21 ASN 65 -3.224 23.633 22.720
514 HD22 ASN 65 HD22 ASN 65 -1.827 22.564 22.750
515 H ARG 66 H ARG 66 -2.318 28.935 22.688
516 HA ARG 66 HA ARG 66 -3.680 30.347 24.837
517 HB2 ARG 66 HB2 ARG 66 -2.887 31.290 22.038
518 HB3 ARG 66 HB3 ARG 66 -3.392 32.326 23.370
519 HG2 ARG 66 HG2 ARG 66 -0.867 30.626 23.305
520 HG3 ARG 66 HG3 ARG 66 -0.967 32.366 23.047
521 HD2 ARG 66 HD2 ARG 66 -1.759 32.685 25.355
522 HD3 ARG 66 HD3 ARG 66 -1.716 30.927 25.627
523 HE ARG 66 HE ARG 66 0.855 31.630 24.757
524 HH11 ARG 66 HH11 ARG 66 -1.092 32.420 27.567
525 HH12 ARG 66 HH12 ARG 66 0.317 32.671 28.563
526 HH21 ARG 66 HH21 ARG 66 2.534 31.939 26.011
527 HH22 ARG 66 HH22 ARG 66 2.364 32.420 27.691
528 H1 GLY -3 H1 GLY -3 11.406 -3.466 18.535
529 H2 GLY -3 H2 GLY -3 10.418 -4.540 19.299
530 H3 GLY -3 H3 GLY -3 10.165 -4.168 17.719
531 HA2 GLY -3 HA2 GLY -3 12.378 -5.110 17.170
532 HA3 GLY -3 HA3 GLY -3 12.455 -5.637 18.858
533 HA PRO -2 HA PRO -2 12.426 -6.165 15.283
534 HB2 PRO -2 HB2 PRO -2 10.949 -6.821 13.081
535 HB3 PRO -2 HB3 PRO -2 11.955 -7.998 13.969
536 HG2 PRO -2 HG2 PRO -2 8.981 -7.470 14.319
537 HG3 PRO -2 HG3 PRO -2 9.781 -9.045 13.991
538 HD2 PRO -2 HD2 PRO -2 9.148 -8.276 16.517
539 HD3 PRO -2 HD3 PRO -2 10.690 -9.120 16.192
540 H GLY -1 H GLY -1 11.786 -4.648 13.308
541 HA2 GLY -1 HA2 GLY -1 9.421 -2.985 13.640
542 HA3 GLY -1 HA3 GLY -1 10.907 -2.176 14.149
543 H SER 0 H SER 0 9.650 -0.939 12.251
544 HA SER 0 HA SER 0 9.935 -1.733 9.557
545 HB2 SER 0 HB2 SER 0 9.822 1.090 10.670
546 HB3 SER 0 HB3 SER 0 9.330 0.570 9.053
547 HG SER 0 HG SER 0 7.642 -0.610 9.950
548 H MET 1 H MET 1 11.182 -0.770 7.858
549 HA MET 1 HA MET 1 14.018 -0.153 8.354
550 HB2 MET 1 HB2 MET 1 12.239 -0.066 5.869
551 HB3 MET 1 HB3 MET 1 13.958 0.309 5.861
552 HG2 MET 1 HG2 MET 1 14.485 -1.919 6.783
553 HG3 MET 1 HG3 MET 1 12.785 -2.371 6.653
554 HE1 MET 1 HE1 MET 1 14.214 -4.451 5.394
555 HE2 MET 1 HE2 MET 1 15.026 -4.227 3.829
556 HE3 MET 1 HE3 MET 1 15.720 -3.513 5.307
557 H CYS 2 H CYS 2 14.670 1.910 6.826
558 HA CYS 2 HA CYS 2 14.825 4.150 6.581
559 HB2 CYS 2 HB2 CYS 2 11.828 4.089 6.924
560 HB3 CYS 2 HB3 CYS 2 12.761 5.368 6.128
561 HG CYS 2 HG CYS 2 12.356 2.194 5.265
562 H MET 3 H MET 3 14.773 3.145 9.433
563 HA MET 3 HA MET 3 13.775 5.172 11.159
564 HB2 MET 3 HB2 MET 3 16.001 3.158 11.480
565 HB3 MET 3 HB3 MET 3 15.495 4.225 12.789
566 HG2 MET 3 HG2 MET 3 13.291 3.346 12.862
567 HG3 MET 3 HG3 MET 3 13.472 2.503 11.325
568 HE1 MET 3 HE1 MET 3 16.425 0.943 11.690
569 HE2 MET 3 HE2 MET 3 15.525 -0.560 11.986
570 HE3 MET 3 HE3 MET 3 14.909 0.636 10.822
571 H ALA 4 H ALA 4 14.792 6.718 12.414
572 HA ALA 4 HA ALA 4 16.892 8.276 11.026
573 HB1 ALA 4 HB1 ALA 4 15.015 8.921 13.347
574 HB2 ALA 4 HB2 ALA 4 16.124 10.061 12.569
575 HB3 ALA 4 HB3 ALA 4 14.779 9.386 11.647
576 H LYS 5 H LYS 5 18.332 9.500 12.601
577 HA LYS 5 HA LYS 5 18.921 8.073 15.126
578 HB2 LYS 5 HB2 LYS 5 21.324 8.574 14.953
579 HB3 LYS 5 HB3 LYS 5 20.755 7.407 13.768
580 HG2 LYS 5 HG2 LYS 5 20.779 9.146 12.002
581 HG3 LYS 5 HG3 LYS 5 21.310 10.360 13.190
582 HD2 LYS 5 HD2 LYS 5 23.354 9.069 13.650
583 HD3 LYS 5 HD3 LYS 5 22.860 7.812 12.512
584 HE2 LYS 5 HE2 LYS 5 23.383 10.723 11.754
585 HE3 LYS 5 HE3 LYS 5 24.584 9.438 11.671
586 HZ1 LYS 5 HZ1 LYS 5 22.085 9.535 10.076
587 HZ2 LYS 5 HZ2 LYS 5 23.600 9.709 9.531
588 HZ3 LYS 5 HZ3 LYS 5 23.124 8.266 10.105
589 H VAL 6 H VAL 6 19.115 9.316 16.880
590 HA VAL 6 HA VAL 6 18.400 12.207 16.550
591 HB VAL 6 HB VAL 6 17.904 10.253 18.796
592 HG11 VAL 6 HG11 VAL 6 16.799 12.117 20.029
593 HG12 VAL 6 HG12 VAL 6 18.552 12.291 19.949
594 HG13 VAL 6 HG13 VAL 6 17.507 13.266 18.882
595 HG21 VAL 6 HG21 VAL 6 15.604 10.702 18.437
596 HG22 VAL 6 HG22 VAL 6 15.943 12.060 17.357
597 HG23 VAL 6 HG23 VAL 6 16.296 10.410 16.829
598 H VAL 7 H VAL 7 19.603 13.803 17.433
599 HA VAL 7 HA VAL 7 21.887 13.144 19.205
600 HB VAL 7 HB VAL 7 22.827 13.252 16.968
601 HG11 VAL 7 HG11 VAL 7 22.904 15.336 15.677
602 HG12 VAL 7 HG12 VAL 7 21.239 14.804 15.880
603 HG13 VAL 7 HG13 VAL 7 21.861 16.143 16.863
604 HG21 VAL 7 HG21 VAL 7 24.127 14.082 18.957
605 HG22 VAL 7 HG22 VAL 7 24.644 14.736 17.401
606 HG23 VAL 7 HG23 VAL 7 23.670 15.739 18.501
607 H LEU 8 H LEU 8 22.444 14.643 20.706
608 HA LEU 8 HA LEU 8 21.097 17.256 20.870
609 HB2 LEU 8 HB2 LEU 8 19.974 16.807 22.956
610 HB3 LEU 8 HB3 LEU 8 19.449 15.675 21.728
611 HG LEU 8 HG LEU 8 21.379 14.142 22.850
612 HD11 LEU 8 HD11 LEU 8 21.247 14.360 25.327
613 HD12 LEU 8 HD12 LEU 8 22.024 15.764 24.605
614 HD13 LEU 8 HD13 LEU 8 20.338 15.861 25.143
615 HD21 LEU 8 HD21 LEU 8 19.009 13.535 22.535
616 HD22 LEU 8 HD22 LEU 8 19.630 13.036 24.112
617 HD23 LEU 8 HD23 LEU 8 18.573 14.460 23.980
618 H THR 9 H THR 9 21.862 18.600 22.534
619 HA THR 9 HA THR 9 24.448 17.821 23.834
620 HB THR 9 HB THR 9 23.548 20.662 23.230
621 HG1 THR 9 HG1 THR 9 23.963 19.626 21.302
622 HG21 THR 9 HG21 THR 9 26.252 19.468 24.016
623 HG22 THR 9 HG22 THR 9 25.938 21.173 23.631
624 HG23 THR 9 HG23 THR 9 25.199 20.456 25.057
625 H LYS 10 H LYS 10 24.485 17.811 25.973
626 HA LYS 10 HA LYS 10 22.035 18.300 27.532
627 HB2 LYS 10 HB2 LYS 10 24.775 17.242 28.332
628 HB3 LYS 10 HB3 LYS 10 23.350 17.286 29.369
629 HG2 LYS 10 HG2 LYS 10 22.142 15.839 27.683
630 HG3 LYS 10 HG3 LYS 10 23.669 15.642 26.820
631 HD2 LYS 10 HD2 LYS 10 23.178 14.863 29.730
632 HD3 LYS 10 HD3 LYS 10 23.139 13.751 28.351
633 HE2 LYS 10 HE2 LYS 10 25.518 14.287 27.850
634 HE3 LYS 10 HE3 LYS 10 25.567 15.381 29.250
635 HZ1 LYS 10 HZ1 LYS 10 25.027 12.460 29.410
636 HZ2 LYS 10 HZ2 LYS 10 26.438 13.188 29.814
637 HZ3 LYS 10 HZ3 LYS 10 25.091 13.480 30.684
638 H ALA 11 H ALA 11 22.074 19.479 29.575
639 HA ALA 11 HA ALA 11 23.082 22.129 29.419
640 HB1 ALA 11 HB1 ALA 11 22.277 22.300 31.739
641 HB2 ALA 11 HB2 ALA 11 21.095 21.454 30.717
642 HB3 ALA 11 HB3 ALA 11 22.128 20.535 31.835
643 H ASP 12 H ASP 12 24.594 19.226 30.699
644 HA ASP 12 HA ASP 12 26.781 20.540 32.098
645 HB2 ASP 12 HB2 ASP 12 26.489 17.695 31.057
646 HB3 ASP 12 HB3 ASP 12 27.747 18.258 32.146
647 H GLY 13 H GLY 13 26.163 20.456 28.797
648 HA2 GLY 13 HA2 GLY 13 27.475 21.207 27.046
649 HA3 GLY 13 HA3 GLY 13 28.917 21.116 28.048
650 H GLY 14 H GLY 14 27.574 18.130 28.432
651 HA2 GLY 14 HA2 GLY 14 29.256 16.766 26.450
652 HA3 GLY 14 HA3 GLY 14 28.190 16.018 27.636
653 H ARG 15 H ARG 15 28.271 14.993 25.127
654 HA ARG 15 HA ARG 15 25.604 15.717 23.954
655 HB2 ARG 15 HB2 ARG 15 28.213 15.233 22.474
656 HB3 ARG 15 HB3 ARG 15 26.627 15.055 21.704
657 HG2 ARG 15 HG2 ARG 15 26.025 17.344 22.316
658 HG3 ARG 15 HG3 ARG 15 27.610 17.599 23.064
659 HD2 ARG 15 HD2 ARG 15 28.727 17.393 20.939
660 HD3 ARG 15 HD3 ARG 15 27.222 16.862 20.143
661 HE ARG 15 HE ARG 15 26.413 19.221 21.137
662 HH11 ARG 15 HH11 ARG 15 29.261 18.571 19.183
663 HH12 ARG 15 HH12 ARG 15 29.241 20.179 18.497
664 HH21 ARG 15 HH21 ARG 15 26.462 21.184 20.257
665 HH22 ARG 15 HH22 ARG 15 27.691 21.627 19.094
666 H VAL 16 H VAL 16 24.457 14.155 22.909
667 HA VAL 16 HA VAL 16 25.122 11.304 23.482
668 HB VAL 16 HB VAL 16 22.476 12.636 24.174
669 HG11 VAL 16 HG11 VAL 16 21.839 10.454 25.131
670 HG12 VAL 16 HG12 VAL 16 22.066 10.348 23.387
671 HG13 VAL 16 HG13 VAL 16 23.322 9.738 24.479
672 HG21 VAL 16 HG21 VAL 16 22.977 11.996 26.504
673 HG22 VAL 16 HG22 VAL 16 24.582 11.433 25.995
674 HG23 VAL 16 HG23 VAL 16 24.139 13.161 25.878
675 H GLU 17 H GLU 17 24.451 9.879 21.981
676 HA GLU 17 HA GLU 17 22.778 10.790 19.695
677 HB2 GLU 17 HB2 GLU 17 25.369 9.206 19.537
678 HB3 GLU 17 HB3 GLU 17 24.214 9.406 18.206
679 HG2 GLU 17 HG2 GLU 17 24.561 11.805 18.167
680 HG3 GLU 17 HG3 GLU 17 25.595 11.739 19.587
681 H ILE 18 H ILE 18 21.427 9.249 18.812
682 HA ILE 18 HA ILE 18 21.255 6.558 20.117
683 HB ILE 18 HB ILE 18 18.870 8.343 19.530
684 HG12 ILE 18 HG12 ILE 18 19.995 7.759 22.301
685 HG13 ILE 18 HG13 ILE 18 20.237 9.273 21.440
686 HG21 ILE 18 HG21 ILE 18 17.581 6.660 20.749
687 HG22 ILE 18 HG22 ILE 18 18.439 5.893 19.428
688 HG23 ILE 18 HG23 ILE 18 19.056 5.733 21.089
689 HD11 ILE 18 HD11 ILE 18 17.788 9.623 21.300
690 HD12 ILE 18 HD12 ILE 18 17.562 8.210 22.383
691 HD13 ILE 18 HD13 ILE 18 18.460 9.634 22.937
692 H GLY 19 H GLY 19 21.303 5.011 18.611
693 HA2 GLY 19 HA2 GLY 19 20.739 5.599 15.754
694 HA3 GLY 19 HA3 GLY 19 21.578 4.190 16.393
695 H ASP 20 H ASP 20 19.570 4.032 14.457
696 HA ASP 20 HA ASP 20 17.580 3.102 13.859
697 HB2 ASP 20 HB2 ASP 20 17.999 1.198 16.160
698 HB3 ASP 20 HB3 ASP 20 17.143 0.941 14.645
699 H VAL 21 H VAL 21 17.012 5.392 15.046
700 HA VAL 21 HA VAL 21 15.035 5.125 17.192
701 HB VAL 21 HB VAL 21 15.856 7.476 15.471
702 HG11 VAL 21 HG11 VAL 21 13.806 7.279 17.698
703 HG12 VAL 21 HG12 VAL 21 14.551 8.803 17.152
704 HG13 VAL 21 HG13 VAL 21 13.545 7.878 16.050
705 HG21 VAL 21 HG21 VAL 21 16.849 8.253 17.599
706 HG22 VAL 21 HG22 VAL 21 16.285 6.797 18.417
707 HG23 VAL 21 HG23 VAL 21 17.519 6.689 17.145
708 H LEU 22 H LEU 22 13.069 4.481 16.984
709 HA LEU 22 HA LEU 22 11.849 4.275 14.309
710 HB2 LEU 22 HB2 LEU 22 12.271 2.290 15.774
711 HB3 LEU 22 HB3 LEU 22 11.119 2.934 16.937
712 HG LEU 22 HG LEU 22 9.298 2.692 15.279
713 HD11 LEU 22 HD11 LEU 22 10.467 2.992 13.147
714 HD12 LEU 22 HD12 LEU 22 11.465 1.552 13.444
715 HD13 LEU 22 HD13 LEU 22 9.721 1.395 13.178
716 HD21 LEU 22 HD21 LEU 22 9.867 0.810 16.780
717 HD22 LEU 22 HD22 LEU 22 9.236 0.245 15.230
718 HD23 LEU 22 HD23 LEU 22 10.982 0.169 15.551
719 H GLU 23 H GLU 23 11.443 6.031 17.364
720 HA GLU 23 HA GLU 23 9.435 7.714 16.064
721 HB2 GLU 23 HB2 GLU 23 8.049 5.909 16.913
722 HB3 GLU 23 HB3 GLU 23 8.696 6.116 18.539
723 HG2 GLU 23 HG2 GLU 23 7.636 8.274 18.785
724 HG3 GLU 23 HG3 GLU 23 7.202 8.313 17.072
725 H VAL 24 H VAL 24 9.248 9.755 16.945
726 HA VAL 24 HA VAL 24 10.648 10.413 19.485
727 HB VAL 24 HB VAL 24 10.895 12.096 16.962
728 HG11 VAL 24 HG11 VAL 24 12.240 12.370 19.685
729 HG12 VAL 24 HG12 VAL 24 12.576 13.363 18.266
730 HG13 VAL 24 HG13 VAL 24 10.996 13.441 19.029
731 HG21 VAL 24 HG21 VAL 24 12.949 10.302 18.295
732 HG22 VAL 24 HG22 VAL 24 12.296 10.132 16.647
733 HG23 VAL 24 HG23 VAL 24 13.323 11.509 17.051
734 H ARG 25 H ARG 25 9.622 11.976 20.712
735 HA ARG 25 HA ARG 25 7.268 13.442 19.591
736 HB2 ARG 25 HB2 ARG 25 7.253 11.906 22.236
737 HB3 ARG 25 HB3 ARG 25 5.969 12.959 21.640
738 HG2 ARG 25 HG2 ARG 25 5.621 11.427 19.695
739 HG3 ARG 25 HG3 ARG 25 6.874 10.349 20.351
740 HD2 ARG 25 HD2 ARG 25 5.542 10.142 22.458
741 HD3 ARG 25 HD3 ARG 25 4.251 11.108 21.709
742 HE ARG 25 HE ARG 25 4.915 8.915 19.987
743 HH11 ARG 25 HH11 ARG 25 3.279 9.364 23.064
744 HH12 ARG 25 HH12 ARG 25 2.375 7.884 22.877
745 HH21 ARG 25 HH21 ARG 25 3.814 7.170 19.807
746 HH22 ARG 25 HH22 ARG 25 2.635 6.650 21.021
747 H ALA 26 H ALA 26 6.900 15.465 20.478
748 HA ALA 26 HA ALA 26 8.696 16.396 22.682
749 HB1 ALA 26 HB1 ALA 26 9.037 18.486 21.467
750 HB2 ALA 26 HB2 ALA 26 9.612 17.097 20.516
751 HB3 ALA 26 HB3 ALA 26 8.072 17.877 20.098
752 H GLU 27 H GLU 27 7.614 17.269 24.317
753 HA GLU 27 HA GLU 27 5.157 18.832 23.991
754 HB2 GLU 27 HB2 GLU 27 4.176 16.665 23.828
755 HB3 GLU 27 HB3 GLU 27 5.083 16.026 25.167
756 HG2 GLU 27 HG2 GLU 27 3.095 18.300 25.490
757 HG3 GLU 27 HG3 GLU 27 2.575 16.623 25.448
758 H GLY 28 H GLY 28 4.809 20.210 25.728
759 HA2 GLY 28 HA2 GLY 28 5.109 21.278 27.730
760 HA3 GLY 28 HA3 GLY 28 5.390 19.671 28.402
761 H GLY 29 H GLY 29 7.652 20.941 26.033
762 HA2 GLY 29 HA2 GLY 29 9.828 21.722 26.224
763 HA3 GLY 29 HA3 GLY 29 9.607 21.961 27.959
764 H ALA 30 H ALA 30 8.904 18.779 26.626
765 HA ALA 30 HA ALA 30 11.642 17.790 27.217
766 HB1 ALA 30 HB1 ALA 30 9.073 16.561 28.323
767 HB2 ALA 30 HB2 ALA 30 10.716 15.911 28.513
768 HB3 ALA 30 HB3 ALA 30 10.275 17.460 29.268
769 H VAL 31 H VAL 31 12.398 16.274 25.881
770 HA VAL 31 HA VAL 31 10.593 15.313 23.696
771 HB VAL 31 HB VAL 31 13.603 15.620 23.717
772 HG11 VAL 31 HG11 VAL 31 11.740 14.506 21.566
773 HG12 VAL 31 HG12 VAL 31 13.403 15.001 21.283
774 HG13 VAL 31 HG13 VAL 31 13.084 13.650 22.354
775 HG21 VAL 31 HG21 VAL 31 13.107 17.272 21.937
776 HG22 VAL 31 HG22 VAL 31 11.359 16.987 22.156
777 HG23 VAL 31 HG23 VAL 31 12.314 17.720 23.446
778 H ARG 32 H ARG 32 10.319 13.227 23.257
779 HA ARG 32 HA ARG 32 11.646 11.145 24.962
780 HB2 ARG 32 HB2 ARG 32 8.761 11.206 23.988
781 HB3 ARG 32 HB3 ARG 32 9.561 9.820 24.714
782 HG2 ARG 32 HG2 ARG 32 8.231 10.774 26.381
783 HG3 ARG 32 HG3 ARG 32 9.891 11.132 26.825
784 HD2 ARG 32 HD2 ARG 32 9.628 13.448 26.377
785 HD3 ARG 32 HD3 ARG 32 8.245 13.164 25.301
786 HE ARG 32 HE ARG 32 7.662 12.325 27.998
787 HH11 ARG 32 HH11 ARG 32 7.913 15.327 26.143
788 HH12 ARG 32 HH12 ARG 32 6.505 15.980 26.962
789 HH21 ARG 32 HH21 ARG 32 5.915 13.363 28.991
790 HH22 ARG 32 HH22 ARG 32 5.450 14.952 28.378
791 H VAL 33 H VAL 33 12.212 9.256 23.957
792 HA VAL 33 HA VAL 33 11.949 9.030 20.975
793 HB VAL 33 HB VAL 33 14.536 8.531 22.454
794 HG11 VAL 33 HG11 VAL 33 14.379 7.208 20.449
795 HG12 VAL 33 HG12 VAL 33 13.889 8.640 19.518
796 HG13 VAL 33 HG13 VAL 33 15.528 8.522 20.190
797 HG21 VAL 33 HG21 VAL 33 14.174 10.967 22.484
798 HG22 VAL 33 HG22 VAL 33 15.440 10.557 21.329
799 HG23 VAL 33 HG23 VAL 33 13.802 10.940 20.738
800 H THR 34 H THR 34 11.675 6.982 20.225
801 HA THR 34 HA THR 34 12.047 4.665 22.093
802 HB THR 34 HB THR 34 9.853 4.884 20.007
803 HG1 THR 34 HG1 THR 34 9.429 6.175 21.818
804 HG21 THR 34 HG21 THR 34 8.993 2.842 21.157
805 HG22 THR 34 HG22 THR 34 10.533 2.560 20.338
806 HG23 THR 34 HG23 THR 34 10.505 2.770 22.106
807 H THR 35 H THR 35 13.394 3.175 21.382
808 HA THR 35 HA THR 35 14.562 3.363 18.672
809 HB THR 35 HB THR 35 16.214 1.797 19.440
810 HG1 THR 35 HG1 THR 35 14.890 1.788 21.926
811 HG21 THR 35 HG21 THR 35 17.270 3.032 21.240
812 HG22 THR 35 HG22 THR 35 16.573 4.155 20.055
813 HG23 THR 35 HG23 THR 35 15.753 3.875 21.619
814 H LEU 36 H LEU 36 14.997 1.458 17.412
815 HA LEU 36 HA LEU 36 13.048 -0.372 16.673
816 HB2 LEU 36 HB2 LEU 36 15.203 0.099 15.557
817 HB3 LEU 36 HB3 LEU 36 16.083 -0.635 16.885
818 HG LEU 36 HG LEU 36 15.087 -2.864 16.320
819 HD11 LEU 36 HD11 LEU 36 14.006 -3.090 14.103
820 HD12 LEU 36 HD12 LEU 36 13.033 -2.073 15.170
821 HD13 LEU 36 HD13 LEU 36 14.034 -1.320 13.910
822 HD21 LEU 36 HD21 LEU 36 16.544 -1.454 14.053
823 HD22 LEU 36 HD22 LEU 36 17.293 -2.200 15.487
824 HD23 LEU 36 HD23 LEU 36 16.436 -3.218 14.315
825 H PHE 37 H PHE 37 15.251 -0.600 19.431
826 HA PHE 37 HA PHE 37 14.687 -3.405 20.012
827 HB2 PHE 37 HB2 PHE 37 16.235 -1.401 21.680
828 HB3 PHE 37 HB3 PHE 37 16.380 -3.158 21.683
829 HD1 PHE 37 HD1 PHE 37 17.649 -0.090 20.295
830 HD2 PHE 37 HD2 PHE 37 17.166 -4.287 19.431
831 HE1 PHE 37 HE1 PHE 37 19.346 0.081 18.495
832 HE2 PHE 37 HE2 PHE 37 18.855 -4.106 17.617
833 HZ PHE 37 HZ PHE 37 19.961 -1.926 17.158
834 H ASP 38 H ASP 38 12.733 -0.865 20.460
835 HA ASP 38 HA ASP 38 11.082 -0.228 21.788
836 HB2 ASP 38 HB2 ASP 38 11.135 -2.896 23.213
837 HB3 ASP 38 HB3 ASP 38 9.795 -1.761 23.071
838 H GLU 39 H GLU 39 14.046 -0.156 22.777
839 HA GLU 39 HA GLU 39 13.713 0.495 25.618
840 HB2 GLU 39 HB2 GLU 39 15.864 -0.345 24.707
841 HB3 GLU 39 HB3 GLU 39 15.997 1.107 23.710
842 HG2 GLU 39 HG2 GLU 39 16.004 2.512 25.773
843 HG3 GLU 39 HG3 GLU 39 15.928 1.037 26.756
844 H GLU 40 H GLU 40 13.258 2.465 26.456
845 HA GLU 40 HA GLU 40 12.629 4.707 24.591
846 HB2 GLU 40 HB2 GLU 40 11.410 3.981 27.271
847 HB3 GLU 40 HB3 GLU 40 11.095 5.476 26.368
848 HG2 GLU 40 HG2 GLU 40 10.167 4.206 24.485
849 HG3 GLU 40 HG3 GLU 40 10.567 2.682 25.277
850 H HIS 41 H HIS 41 13.197 6.755 25.058
851 HA HIS 41 HA HIS 41 14.943 7.352 27.412
852 HB2 HIS 41 HB2 HIS 41 15.550 8.028 24.506
853 HB3 HIS 41 HB3 HIS 41 16.412 8.673 25.910
854 HD2 HIS 41 HD2 HIS 41 16.189 5.531 23.737
855 HE1 HIS 41 HE1 HIS 41 19.087 4.685 26.759
856 HE2 HIS 41 HE2 HIS 41 18.033 3.831 24.619
857 H ALA 42 H ALA 42 14.958 9.545 28.058
858 HA ALA 42 HA ALA 42 13.026 11.397 26.820
859 HB1 ALA 42 HB1 ALA 42 11.684 10.110 28.441
860 HB2 ALA 42 HB2 ALA 42 12.842 10.508 29.733
861 HB3 ALA 42 HB3 ALA 42 11.882 11.792 28.965
862 H PHE 43 H PHE 43 13.482 13.477 27.062
863 HA PHE 43 HA PHE 43 15.899 14.330 28.609
864 HB2 PHE 43 HB2 PHE 43 15.352 14.878 25.683
865 HB3 PHE 43 HB3 PHE 43 16.753 15.405 26.623
866 HD1 PHE 43 HD1 PHE 43 18.355 13.669 27.545
867 HD2 PHE 43 HD2 PHE 43 15.319 12.724 24.632
868 HE1 PHE 43 HE1 PHE 43 19.536 11.555 26.997
869 HE2 PHE 43 HE2 PHE 43 16.490 10.610 24.093
870 HZ PHE 43 HZ PHE 43 18.617 10.016 25.273
871 HA PRO 44 HA PRO 44 12.660 17.556 29.233
872 HB2 PRO 44 HB2 PRO 44 13.290 18.184 31.828
873 HB3 PRO 44 HB3 PRO 44 12.225 16.820 31.377
874 HG2 PRO 44 HG2 PRO 44 15.186 16.733 32.027
875 HG3 PRO 44 HG3 PRO 44 13.891 15.649 32.633
876 HD2 PRO 44 HD2 PRO 44 15.502 14.953 30.575
877 HD3 PRO 44 HD3 PRO 44 13.778 14.480 30.614
878 H GLY 45 H GLY 45 12.904 19.715 29.050
879 HA2 GLY 45 HA2 GLY 45 13.963 21.812 29.046
880 HA3 GLY 45 HA3 GLY 45 15.542 21.055 29.322
881 H LEU 46 H LEU 46 13.894 19.385 26.857
882 HA LEU 46 HA LEU 46 15.266 20.949 24.718
883 HB2 LEU 46 HB2 LEU 46 14.765 17.951 24.806
884 HB3 LEU 46 HB3 LEU 46 15.509 18.841 23.491
885 HG LEU 46 HG LEU 46 16.679 18.381 26.266
886 HD11 LEU 46 HD11 LEU 46 17.666 17.584 23.498
887 HD12 LEU 46 HD12 LEU 46 18.336 17.091 25.063
888 HD13 LEU 46 HD13 LEU 46 16.736 16.515 24.549
889 HD21 LEU 46 HD21 LEU 46 17.394 20.619 25.542
890 HD22 LEU 46 HD22 LEU 46 18.728 19.481 25.382
891 HD23 LEU 46 HD23 LEU 46 17.832 19.983 23.932
892 H ALA 47 H ALA 47 14.435 20.790 22.620
893 HA ALA 47 HA ALA 47 11.741 19.716 22.115
894 HB1 ALA 47 HB1 ALA 47 12.519 22.592 21.444
895 HB2 ALA 47 HB2 ALA 47 11.038 21.761 20.915
896 HB3 ALA 47 HB3 ALA 47 11.298 22.084 22.629
897 H ILE 48 H ILE 48 11.418 19.395 19.731
898 HA ILE 48 HA ILE 48 13.890 18.558 18.382
899 HB ILE 48 HB ILE 48 11.054 18.739 17.314
900 HG12 ILE 48 HG12 ILE 48 12.473 16.151 18.016
901 HG13 ILE 48 HG13 ILE 48 11.624 17.048 19.265
902 HG21 ILE 48 HG21 ILE 48 11.906 17.208 15.510
903 HG22 ILE 48 HG22 ILE 48 12.708 18.771 15.471
904 HG23 ILE 48 HG23 ILE 48 13.540 17.374 16.176
905 HD11 ILE 48 HD11 ILE 48 10.392 15.935 16.710
906 HD12 ILE 48 HD12 ILE 48 10.099 15.408 18.378
907 HD13 ILE 48 HD13 ILE 48 9.544 17.001 17.856
908 H GLY 49 H GLY 49 15.221 19.881 17.282
909 HA2 GLY 49 HA2 GLY 49 14.370 22.661 16.649
910 HA3 GLY 49 HA3 GLY 49 16.014 22.022 16.706
911 H ARG 50 H ARG 50 15.895 19.829 15.039
912 HA ARG 50 HA ARG 50 15.002 20.760 12.372
913 HB2 ARG 50 HB2 ARG 50 17.213 21.843 12.961
914 HB3 ARG 50 HB3 ARG 50 17.944 20.249 13.015
915 HG2 ARG 50 HG2 ARG 50 17.465 19.921 10.614
916 HG3 ARG 50 HG3 ARG 50 16.563 21.433 10.568
917 HD2 ARG 50 HD2 ARG 50 18.610 22.166 9.757
918 HD3 ARG 50 HD3 ARG 50 18.801 22.524 11.455
919 HE ARG 50 HE ARG 50 20.295 20.678 11.698
920 HH11 ARG 50 HH11 ARG 50 19.319 21.008 8.304
921 HH12 ARG 50 HH12 ARG 50 20.371 19.676 7.837
922 HH21 ARG 50 HH21 ARG 50 21.742 19.156 10.906
923 HH22 ARG 50 HH22 ARG 50 21.784 18.831 9.186
924 H VAL 51 H VAL 51 14.889 19.219 10.820
925 HA VAL 51 HA VAL 51 15.801 16.445 11.433
926 HB VAL 51 HB VAL 51 13.151 17.069 10.085
927 HG11 VAL 51 HG11 VAL 51 14.197 14.976 9.329
928 HG12 VAL 51 HG12 VAL 51 14.423 14.454 11.005
929 HG13 VAL 51 HG13 VAL 51 12.785 14.628 10.336
930 HG21 VAL 51 HG21 VAL 51 12.101 16.052 12.119
931 HG22 VAL 51 HG22 VAL 51 13.684 16.082 12.928
932 HG23 VAL 51 HG23 VAL 51 12.880 17.595 12.450
933 H ASP 52 H ASP 52 16.987 15.603 9.798
934 HA ASP 52 HA ASP 52 17.012 16.965 7.126
935 HB2 ASP 52 HB2 ASP 52 18.780 17.822 8.704
936 HB3 ASP 52 HB3 ASP 52 19.478 16.206 8.739
937 H LEU 53 H LEU 53 16.211 15.494 5.871
938 HA LEU 53 HA LEU 53 16.426 12.640 6.436
939 HB2 LEU 53 HB2 LEU 53 14.960 14.147 4.230
940 HB3 LEU 53 HB3 LEU 53 14.815 12.435 4.593
941 HG LEU 53 HG LEU 53 12.926 13.414 5.468
942 HD11 LEU 53 HD11 LEU 53 13.952 11.783 6.978
943 HD12 LEU 53 HD12 LEU 53 14.744 13.100 7.877
944 HD13 LEU 53 HD13 LEU 53 12.982 12.974 7.859
945 HD21 LEU 53 HD21 LEU 53 13.591 15.783 5.514
946 HD22 LEU 53 HD22 LEU 53 12.687 15.272 6.949
947 HD23 LEU 53 HD23 LEU 53 14.431 15.515 7.053
948 H ARG 54 H ARG 54 18.340 14.739 4.628
949 HA ARG 54 HA ARG 54 19.275 12.915 2.542
950 HB2 ARG 54 HB2 ARG 54 20.592 15.333 3.857
951 HB3 ARG 54 HB3 ARG 54 21.150 14.551 2.383
952 HG2 ARG 54 HG2 ARG 54 19.235 15.210 1.123
953 HG3 ARG 54 HG3 ARG 54 18.341 15.740 2.553
954 HD2 ARG 54 HD2 ARG 54 20.900 17.056 1.589
955 HD3 ARG 54 HD3 ARG 54 19.270 17.610 1.198
956 HE ARG 54 HE ARG 54 19.948 17.288 4.081
957 HH11 ARG 54 HH11 ARG 54 19.159 19.600 1.522
958 HH12 ARG 54 HH12 ARG 54 18.970 20.875 2.699
959 HH21 ARG 54 HH21 ARG 54 19.946 19.003 5.382
960 HH22 ARG 54 HH22 ARG 54 19.286 20.538 4.794
961 H SER 55 H SER 55 19.932 13.318 5.920
962 HA SER 55 HA SER 55 21.941 11.101 5.875
963 HB2 SER 55 HB2 SER 55 21.919 13.518 7.717
964 HB3 SER 55 HB3 SER 55 23.078 12.175 7.755
965 HG SER 55 HG SER 55 23.907 13.948 6.604
966 H GLY 56 H GLY 56 18.837 11.773 6.828
967 HA2 GLY 56 HA2 GLY 56 17.358 10.707 8.217
968 HA3 GLY 56 HA3 GLY 56 18.588 9.497 8.585
969 H VAL 57 H VAL 57 19.082 12.965 9.248
970 HA VAL 57 HA VAL 57 19.566 12.241 12.094
971 HB VAL 57 HB VAL 57 20.393 14.643 10.444
972 HG11 VAL 57 HG11 VAL 57 21.768 15.314 12.412
973 HG12 VAL 57 HG12 VAL 57 20.045 15.462 12.719
974 HG13 VAL 57 HG13 VAL 57 20.947 14.081 13.386
975 HG21 VAL 57 HG21 VAL 57 21.997 12.418 11.782
976 HG22 VAL 57 HG22 VAL 57 21.671 12.534 10.049
977 HG23 VAL 57 HG23 VAL 57 22.670 13.758 10.836
978 H ILE 58 H ILE 58 18.407 12.896 13.738
979 HA ILE 58 HA ILE 58 16.469 15.170 13.473
980 HB ILE 58 HB ILE 58 16.371 12.660 15.171
981 HG12 ILE 58 HG12 ILE 58 14.315 13.830 13.242
982 HG13 ILE 58 HG13 ILE 58 15.479 12.575 12.823
983 HG21 ILE 58 HG21 ILE 58 14.649 15.163 15.450
984 HG22 ILE 58 HG22 ILE 58 14.336 13.618 16.260
985 HG23 ILE 58 HG23 ILE 58 15.786 14.509 16.661
986 HD11 ILE 58 HD11 ILE 58 14.481 11.145 14.654
987 HD12 ILE 58 HD12 ILE 58 13.177 12.344 14.782
988 HD13 ILE 58 HD13 ILE 58 13.437 11.465 13.257
989 H SER 59 H SER 59 17.173 16.950 14.502
990 HA SER 59 HA SER 59 19.314 16.697 16.594
991 HB2 SER 59 HB2 SER 59 20.071 17.711 14.492
992 HB3 SER 59 HB3 SER 59 18.792 18.941 14.628
993 HG SER 59 HG SER 59 20.844 19.635 15.444
994 H LEU 60 H LEU 60 18.788 17.272 18.561
995 HA LEU 60 HA LEU 60 16.321 18.836 19.073
996 HB2 LEU 60 HB2 LEU 60 18.084 17.417 21.074
997 HB3 LEU 60 HB3 LEU 60 16.465 18.031 21.326
998 HG LEU 60 HG LEU 60 17.280 15.631 19.630
999 HD11 LEU 60 HD11 LEU 60 17.192 15.268 22.071
1000 HD12 LEU 60 HD12 LEU 60 15.545 15.903 22.125
1001 HD13 LEU 60 HD13 LEU 60 15.891 14.390 21.255
1002 HD21 LEU 60 HD21 LEU 60 14.830 15.270 19.270
1003 HD22 LEU 60 HD22 LEU 60 14.507 16.858 19.993
1004 HD23 LEU 60 HD23 LEU 60 15.412 16.728 18.467
1005 H ILE 61 H ILE 61 16.238 20.608 20.416
1006 HA ILE 61 HA ILE 61 18.764 22.080 21.026
1007 HB ILE 61 HB ILE 61 17.736 24.178 20.265
1008 HG12 ILE 61 HG12 ILE 61 15.916 23.927 18.439
1009 HG13 ILE 61 HG13 ILE 61 15.486 22.421 19.228
1010 HG21 ILE 61 HG21 ILE 61 19.327 22.903 18.867
1011 HG22 ILE 61 HG22 ILE 61 17.969 22.108 18.058
1012 HG23 ILE 61 HG23 ILE 61 18.181 23.861 17.909
1013 HD11 ILE 61 HD11 ILE 61 14.076 24.357 19.889
1014 HD12 ILE 61 HD12 ILE 61 14.902 23.697 21.289
1015 HD13 ILE 61 HD13 ILE 61 15.508 25.196 20.536
1016 H GLU 62 H GLU 62 18.508 23.778 22.654
1017 HA GLU 62 HA GLU 62 16.924 22.842 24.896
1018 HB2 GLU 62 HB2 GLU 62 18.584 25.354 24.514
1019 HB3 GLU 62 HB3 GLU 62 17.801 24.878 26.032
1020 HG2 GLU 62 HG2 GLU 62 19.067 22.741 26.044
1021 HG3 GLU 62 HG3 GLU 62 19.909 23.239 24.575
1022 H GLU 63 H GLU 63 14.942 23.408 25.571
1023 HA GLU 63 HA GLU 63 13.280 24.969 23.788
1024 HB2 GLU 63 HB2 GLU 63 11.439 24.200 25.092
1025 HB3 GLU 63 HB3 GLU 63 12.579 22.898 24.892
1026 HG2 GLU 63 HG2 GLU 63 12.198 22.561 27.074
1027 HG3 GLU 63 HG3 GLU 63 13.498 23.729 27.264
1028 H GLN 64 H GLN 64 15.071 25.867 26.562
1029 HA GLN 64 HA GLN 64 14.125 28.635 26.304
1030 HB2 GLN 64 HB2 GLN 64 14.048 27.072 28.909
1031 HB3 GLN 64 HB3 GLN 64 14.269 28.814 28.904
1032 HG2 GLN 64 HG2 GLN 64 11.879 27.394 27.691
1033 HG3 GLN 64 HG3 GLN 64 11.915 28.140 29.277
1034 HE21 GLN 64 HE21 GLN 64 9.960 29.008 27.582
1035 HE22 GLN 64 HE22 GLN 64 10.348 30.621 27.003
1036 H ASN 65 H ASN 65 15.565 30.188 27.016
1037 HA ASN 65 HA ASN 65 18.386 29.308 27.531
1038 HB2 ASN 65 HB2 ASN 65 17.417 31.662 25.859
1039 HB3 ASN 65 HB3 ASN 65 19.100 31.278 26.202
1040 HD21 ASN 65 HD21 ASN 65 16.536 30.743 23.996
1041 HD22 ASN 65 HD22 ASN 65 17.309 29.431 23.113
1042 H ARG 66 H ARG 66 16.092 30.179 29.341
1043 HA ARG 66 HA ARG 66 16.766 32.709 30.559
1044 HB2 ARG 66 HB2 ARG 66 15.119 30.335 31.540
1045 HB3 ARG 66 HB3 ARG 66 15.237 31.877 32.384
1046 HG2 ARG 66 HG2 ARG 66 14.227 33.066 30.459
1047 HG3 ARG 66 HG3 ARG 66 14.185 31.552 29.541
1048 HD2 ARG 66 HD2 ARG 66 11.985 31.946 30.389
1049 HD3 ARG 66 HD3 ARG 66 12.681 30.554 31.236
1050 HE ARG 66 HE ARG 66 13.119 33.063 32.652
1051 HH11 ARG 66 HH11 ARG 66 10.673 30.612 32.168
1052 HH12 ARG 66 HH12 ARG 66 9.897 30.958 33.693
1053 HH21 ARG 66 HH21 ARG 66 12.082 33.468 34.561
1054 HH22 ARG 66 HH22 ARG 66 10.686 32.538 35.007
Start of MODEL 15
1 H1 GLY -3 H1 GLY -3 24.445 8.297 -2.621
2 H2 GLY -3 H2 GLY -3 25.081 7.360 -1.444
3 H3 GLY -3 H3 GLY -3 25.406 8.960 -1.465
4 HA2 GLY -3 HA2 GLY -3 23.801 8.483 0.248
5 HA3 GLY -3 HA3 GLY -3 23.105 9.498 -1.030
6 HA PRO -2 HA PRO -2 20.226 5.902 -0.472
7 HB2 PRO -2 HB2 PRO -2 17.882 7.310 -0.517
8 HB3 PRO -2 HB3 PRO -2 18.885 7.127 0.950
9 HG2 PRO -2 HG2 PRO -2 18.837 9.449 -0.997
10 HG3 PRO -2 HG3 PRO -2 18.739 9.485 0.798
11 HD2 PRO -2 HD2 PRO -2 21.075 9.891 -0.551
12 HD3 PRO -2 HD3 PRO -2 21.043 9.024 1.014
13 H GLY -1 H GLY -1 18.905 4.884 -2.006
14 HA2 GLY -1 HA2 GLY -1 19.214 5.640 -4.815
15 HA3 GLY -1 HA3 GLY -1 18.437 4.208 -4.165
16 H SER 0 H SER 0 16.638 4.275 -5.442
17 HA SER 0 HA SER 0 14.910 6.523 -5.872
18 HB2 SER 0 HB2 SER 0 15.027 4.512 -7.305
19 HB3 SER 0 HB3 SER 0 14.287 3.554 -6.013
20 HG SER 0 HG SER 0 12.773 4.334 -7.607
21 H MET 1 H MET 1 12.677 6.734 -5.121
22 HA MET 1 HA MET 1 11.290 7.361 -3.435
23 HB2 MET 1 HB2 MET 1 11.874 4.653 -2.220
24 HB3 MET 1 HB3 MET 1 10.513 5.713 -1.839
25 HG2 MET 1 HG2 MET 1 9.799 5.606 -4.233
26 HG3 MET 1 HG3 MET 1 11.053 4.410 -4.535
27 HE1 MET 1 HE1 MET 1 11.044 1.964 -3.665
28 HE2 MET 1 HE2 MET 1 10.993 2.481 -1.968
29 HE3 MET 1 HE3 MET 1 9.842 1.268 -2.563
30 H CYS 2 H CYS 2 12.148 6.091 -0.586
31 HA CYS 2 HA CYS 2 12.909 6.977 1.342
32 HB2 CYS 2 HB2 CYS 2 15.166 8.078 -0.367
33 HB3 CYS 2 HB3 CYS 2 15.163 7.961 1.395
34 HG CYS 2 HG CYS 2 14.626 5.319 1.428
35 H MET 3 H MET 3 13.984 9.286 2.200
36 HA MET 3 HA MET 3 13.388 11.204 3.138
37 HB2 MET 3 HB2 MET 3 12.136 11.879 0.461
38 HB3 MET 3 HB3 MET 3 12.105 12.944 1.845
39 HG2 MET 3 HG2 MET 3 13.932 13.620 0.542
40 HG3 MET 3 HG3 MET 3 14.576 12.865 1.996
41 HE1 MET 3 HE1 MET 3 14.806 11.184 -2.310
42 HE2 MET 3 HE2 MET 3 13.267 11.241 -1.428
43 HE3 MET 3 HE3 MET 3 14.116 12.752 -1.839
44 H ALA 4 H ALA 4 11.819 12.360 4.236
45 HA ALA 4 HA ALA 4 9.466 10.774 5.054
46 HB1 ALA 4 HB1 ALA 4 10.752 13.344 6.093
47 HB2 ALA 4 HB2 ALA 4 9.429 12.471 6.888
48 HB3 ALA 4 HB3 ALA 4 11.003 11.692 6.727
49 H LYS 5 H LYS 5 7.525 12.238 5.674
50 HA LYS 5 HA LYS 5 7.039 14.495 3.812
51 HB2 LYS 5 HB2 LYS 5 4.764 13.878 3.396
52 HB3 LYS 5 HB3 LYS 5 5.842 12.575 2.871
53 HG2 LYS 5 HG2 LYS 5 5.226 11.257 4.885
54 HG3 LYS 5 HG3 LYS 5 4.170 12.588 5.428
55 HD2 LYS 5 HD2 LYS 5 2.881 12.392 3.306
56 HD3 LYS 5 HD3 LYS 5 3.897 11.013 2.827
57 HE2 LYS 5 HE2 LYS 5 3.100 9.716 4.753
58 HE3 LYS 5 HE3 LYS 5 2.209 11.123 5.361
59 HZ1 LYS 5 HZ1 LYS 5 1.622 9.735 2.806
60 HZ2 LYS 5 HZ2 LYS 5 0.735 9.645 4.181
61 HZ3 LYS 5 HZ3 LYS 5 0.846 11.069 3.373
62 H VAL 6 H VAL 6 5.905 16.201 4.643
63 HA VAL 6 HA VAL 6 5.650 16.257 7.625
64 HB VAL 6 HB VAL 6 5.824 18.605 5.721
65 HG11 VAL 6 HG11 VAL 6 4.732 19.238 7.816
66 HG12 VAL 6 HG12 VAL 6 6.013 18.427 8.752
67 HG13 VAL 6 HG13 VAL 6 6.372 19.878 7.788
68 HG21 VAL 6 HG21 VAL 6 7.937 17.443 5.640
69 HG22 VAL 6 HG22 VAL 6 8.133 18.894 6.623
70 HG23 VAL 6 HG23 VAL 6 8.002 17.316 7.416
71 H VAL 7 H VAL 7 3.732 16.784 8.619
72 HA VAL 7 HA VAL 7 1.451 17.638 6.928
73 HB VAL 7 HB VAL 7 1.531 15.118 7.115
74 HG11 VAL 7 HG11 VAL 7 0.720 14.020 9.098
75 HG12 VAL 7 HG12 VAL 7 2.178 14.932 9.502
76 HG13 VAL 7 HG13 VAL 7 0.580 15.560 9.971
77 HG21 VAL 7 HG21 VAL 7 -0.868 14.887 7.383
78 HG22 VAL 7 HG22 VAL 7 -0.981 16.468 8.191
79 HG23 VAL 7 HG23 VAL 7 -0.495 16.353 6.477
80 H LEU 8 H LEU 8 -0.116 18.836 7.879
81 HA LEU 8 HA LEU 8 0.058 19.574 10.743
82 HB2 LEU 8 HB2 LEU 8 0.569 21.884 10.315
83 HB3 LEU 8 HB3 LEU 8 1.793 20.857 9.579
84 HG LEU 8 HG LEU 8 0.221 21.178 7.405
85 HD11 LEU 8 HD11 LEU 8 -0.494 23.563 7.257
86 HD12 LEU 8 HD12 LEU 8 -1.435 22.689 8.460
87 HD13 LEU 8 HD13 LEU 8 -0.132 23.775 8.974
88 HD21 LEU 8 HD21 LEU 8 1.755 22.925 6.671
89 HD22 LEU 8 HD22 LEU 8 2.275 23.217 8.330
90 HD23 LEU 8 HD23 LEU 8 2.626 21.666 7.532
91 H THR 9 H THR 9 -1.564 21.035 11.452
92 HA THR 9 HA THR 9 -4.025 21.193 9.742
93 HB THR 9 HB THR 9 -4.010 21.142 12.788
94 HG1 THR 9 HG1 THR 9 -3.300 19.159 12.041
95 HG21 THR 9 HG21 THR 9 -6.402 20.574 12.473
96 HG22 THR 9 HG22 THR 9 -6.022 22.146 11.749
97 HG23 THR 9 HG23 THR 9 -6.209 20.713 10.708
98 H LYS 10 H LYS 10 -4.841 23.140 9.389
99 HA LYS 10 HA LYS 10 -3.366 25.542 10.286
100 HB2 LYS 10 HB2 LYS 10 -5.655 25.191 8.323
101 HB3 LYS 10 HB3 LYS 10 -4.765 26.689 8.619
102 HG2 LYS 10 HG2 LYS 10 -2.644 25.505 7.928
103 HG3 LYS 10 HG3 LYS 10 -3.631 24.123 7.414
104 HD2 LYS 10 HD2 LYS 10 -3.873 26.977 6.356
105 HD3 LYS 10 HD3 LYS 10 -3.010 25.670 5.544
106 HE2 LYS 10 HE2 LYS 10 -5.110 24.357 5.386
107 HE3 LYS 10 HE3 LYS 10 -5.993 25.670 6.174
108 HZ1 LYS 10 HZ1 LYS 10 -4.581 25.894 3.571
109 HZ2 LYS 10 HZ2 LYS 10 -6.200 25.817 3.768
110 HZ3 LYS 10 HZ3 LYS 10 -5.374 27.112 4.310
111 H ALA 11 H ALA 11 -4.487 27.454 11.023
112 HA ALA 11 HA ALA 11 -6.333 27.074 13.173
113 HB1 ALA 11 HB1 ALA 11 -4.713 28.944 13.012
114 HB2 ALA 11 HB2 ALA 11 -5.608 29.587 11.608
115 HB3 ALA 11 HB3 ALA 11 -6.370 29.531 13.216
116 H ASP 12 H ASP 12 -6.900 27.534 9.739
117 HA ASP 12 HA ASP 12 -9.718 28.218 9.889
118 HB2 ASP 12 HB2 ASP 12 -8.080 26.995 7.640
119 HB3 ASP 12 HB3 ASP 12 -9.701 27.647 7.485
120 H GLY 13 H GLY 13 -8.161 25.323 10.694
121 HA2 GLY 13 HA2 GLY 13 -9.085 23.295 11.348
122 HA3 GLY 13 HA3 GLY 13 -10.627 23.721 10.594
123 H GLY 14 H GLY 14 -8.477 24.310 8.182
124 HA2 GLY 14 HA2 GLY 14 -8.793 21.719 6.819
125 HA3 GLY 14 HA3 GLY 14 -8.015 23.156 6.187
126 H ARG 15 H ARG 15 -6.804 20.820 5.690
127 HA ARG 15 HA ARG 15 -4.353 20.827 7.422
128 HB2 ARG 15 HB2 ARG 15 -5.893 18.426 6.363
129 HB3 ARG 15 HB3 ARG 15 -4.185 18.332 6.817
130 HG2 ARG 15 HG2 ARG 15 -4.736 19.221 9.072
131 HG3 ARG 15 HG3 ARG 15 -6.460 19.164 8.669
132 HD2 ARG 15 HD2 ARG 15 -6.445 16.789 8.545
133 HD3 ARG 15 HD3 ARG 15 -4.657 16.719 8.523
134 HE ARG 15 HE ARG 15 -5.109 17.992 10.871
135 HH11 ARG 15 HH11 ARG 15 -6.322 14.911 9.706
136 HH12 ARG 15 HH12 ARG 15 -6.433 14.267 11.325
137 HH21 ARG 15 HH21 ARG 15 -5.338 17.164 12.838
138 HH22 ARG 15 HH22 ARG 15 -5.889 15.524 13.079
139 H VAL 16 H VAL 16 -2.431 20.219 6.499
140 HA VAL 16 HA VAL 16 -2.202 20.359 3.529
141 HB VAL 16 HB VAL 16 -0.507 22.031 5.429
142 HG11 VAL 16 HG11 VAL 16 0.847 21.302 3.547
143 HG12 VAL 16 HG12 VAL 16 -0.437 21.755 2.396
144 HG13 VAL 16 HG13 VAL 16 0.426 23.002 3.327
145 HG21 VAL 16 HG21 VAL 16 -2.698 23.063 5.181
146 HG22 VAL 16 HG22 VAL 16 -1.505 23.974 4.248
147 HG23 VAL 16 HG23 VAL 16 -2.621 22.871 3.409
148 H GLU 17 H GLU 17 -0.656 19.025 2.694
149 HA GLU 17 HA GLU 17 1.121 17.495 4.513
150 HB2 GLU 17 HB2 GLU 17 -1.158 16.403 4.171
151 HB3 GLU 17 HB3 GLU 17 -0.737 16.258 2.461
152 HG2 GLU 17 HG2 GLU 17 1.313 14.971 3.157
153 HG3 GLU 17 HG3 GLU 17 0.759 15.058 4.819
154 H ILE 18 H ILE 18 3.120 17.222 3.678
155 HA ILE 18 HA ILE 18 3.639 17.989 0.815
156 HB ILE 18 HB ILE 18 5.076 18.933 3.320
157 HG12 ILE 18 HG12 ILE 18 3.425 20.545 1.308
158 HG13 ILE 18 HG13 ILE 18 2.856 20.023 2.896
159 HG21 ILE 18 HG21 ILE 18 6.667 18.604 1.445
160 HG22 ILE 18 HG22 ILE 18 5.628 19.572 0.387
161 HG23 ILE 18 HG23 ILE 18 6.453 20.315 1.772
162 HD11 ILE 18 HD11 ILE 18 5.082 21.997 2.400
163 HD12 ILE 18 HD12 ILE 18 3.492 22.261 3.126
164 HD13 ILE 18 HD13 ILE 18 4.697 21.289 3.991
165 H GLY 19 H GLY 19 4.464 16.281 -0.169
166 HA2 GLY 19 HA2 GLY 19 5.824 14.139 1.227
167 HA3 GLY 19 HA3 GLY 19 5.443 14.209 -0.481
168 H ASP 20 H ASP 20 7.804 13.212 0.651
169 HA ASP 20 HA ASP 20 10.010 13.094 0.263
170 HB2 ASP 20 HB2 ASP 20 9.352 14.639 -2.249
171 HB3 ASP 20 HB3 ASP 20 10.720 13.565 -1.983
172 H VAL 21 H VAL 21 9.691 14.962 2.153
173 HA VAL 21 HA VAL 21 10.984 17.482 1.527
174 HB VAL 21 HB VAL 21 9.273 17.182 3.299
175 HG11 VAL 21 HG11 VAL 21 10.153 15.099 4.357
176 HG12 VAL 21 HG12 VAL 21 11.529 16.029 4.973
177 HG13 VAL 21 HG13 VAL 21 9.902 16.409 5.529
178 HG21 VAL 21 HG21 VAL 21 11.890 18.397 4.254
179 HG22 VAL 21 HG22 VAL 21 10.683 19.180 3.214
180 HG23 VAL 21 HG23 VAL 21 10.265 18.742 4.875
181 H LEU 22 H LEU 22 13.097 18.081 1.674
182 HA LEU 22 HA LEU 22 15.159 16.000 2.177
183 HB2 LEU 22 HB2 LEU 22 15.329 18.894 1.239
184 HB3 LEU 22 HB3 LEU 22 16.707 17.814 1.446
185 HG LEU 22 HG LEU 22 14.441 17.380 -0.552
186 HD11 LEU 22 HD11 LEU 22 17.310 18.357 -0.904
187 HD12 LEU 22 HD12 LEU 22 16.206 17.943 -2.224
188 HD13 LEU 22 HD13 LEU 22 15.824 19.302 -1.151
189 HD21 LEU 22 HD21 LEU 22 17.105 15.919 -0.215
190 HD22 LEU 22 HD22 LEU 22 15.499 15.247 0.136
191 HD23 LEU 22 HD23 LEU 22 15.933 15.669 -1.525
192 H GLU 23 H GLU 23 14.039 19.119 3.499
193 HA GLU 23 HA GLU 23 15.108 18.427 6.133
194 HB2 GLU 23 HB2 GLU 23 17.051 19.461 4.998
195 HB3 GLU 23 HB3 GLU 23 16.098 20.918 4.692
196 HG2 GLU 23 HG2 GLU 23 15.968 21.400 7.074
197 HG3 GLU 23 HG3 GLU 23 16.649 19.816 7.478
198 H VAL 24 H VAL 24 14.054 19.403 7.777
199 HA VAL 24 HA VAL 24 12.122 21.593 7.261
200 HB VAL 24 HB VAL 24 10.764 19.636 7.192
201 HG11 VAL 24 HG11 VAL 24 10.533 18.069 9.052
202 HG12 VAL 24 HG12 VAL 24 12.150 17.999 8.344
203 HG13 VAL 24 HG13 VAL 24 11.883 18.834 9.899
204 HG21 VAL 24 HG21 VAL 24 9.169 20.069 8.953
205 HG22 VAL 24 HG22 VAL 24 10.398 20.828 9.974
206 HG23 VAL 24 HG23 VAL 24 9.875 21.614 8.471
207 H ARG 25 H ARG 25 12.013 23.088 8.847
208 HA ARG 25 HA ARG 25 13.700 22.772 11.317
209 HB2 ARG 25 HB2 ARG 25 13.761 25.101 9.348
210 HB3 ARG 25 HB3 ARG 25 14.590 25.038 10.918
211 HG2 ARG 25 HG2 ARG 25 15.890 23.050 10.104
212 HG3 ARG 25 HG3 ARG 25 15.114 23.225 8.523
213 HD2 ARG 25 HD2 ARG 25 17.283 24.206 8.380
214 HD3 ARG 25 HD3 ARG 25 16.100 25.518 8.330
215 HE ARG 25 HE ARG 25 17.847 24.736 10.655
216 HH11 ARG 25 HH11 ARG 25 15.919 27.289 9.158
217 HH12 ARG 25 HH12 ARG 25 16.303 28.376 10.497
218 HH21 ARG 25 HH21 ARG 25 18.243 26.294 12.248
219 HH22 ARG 25 HH22 ARG 25 17.465 27.867 12.067
220 H ALA 26 H ALA 26 12.953 23.717 13.102
221 HA ALA 26 HA ALA 26 10.444 25.339 13.061
222 HB1 ALA 26 HB1 ALA 26 10.440 24.942 15.490
223 HB2 ALA 26 HB2 ALA 26 10.461 23.403 14.605
224 HB3 ALA 26 HB3 ALA 26 11.951 24.018 15.362
225 H GLU 27 H GLU 27 10.755 27.472 12.996
226 HA GLU 27 HA GLU 27 13.208 28.806 14.001
227 HB2 GLU 27 HB2 GLU 27 13.820 27.684 11.860
228 HB3 GLU 27 HB3 GLU 27 12.460 28.456 11.064
229 HG2 GLU 27 HG2 GLU 27 14.451 29.578 10.453
230 HG3 GLU 27 HG3 GLU 27 13.500 30.674 11.454
231 H GLY 28 H GLY 28 12.744 30.847 14.640
232 HA2 GLY 28 HA2 GLY 28 11.733 32.880 14.876
233 HA3 GLY 28 HA3 GLY 28 11.307 32.750 13.165
234 H GLY 29 H GLY 29 10.023 30.539 15.635
235 HA2 GLY 29 HA2 GLY 29 7.881 30.267 16.492
236 HA3 GLY 29 HA3 GLY 29 7.429 31.872 15.904
237 H ALA 30 H ALA 30 8.784 29.716 13.541
238 HA ALA 30 HA ALA 30 6.129 28.804 12.551
239 HB1 ALA 30 HB1 ALA 30 8.376 30.043 10.878
240 HB2 ALA 30 HB2 ALA 30 6.815 29.461 10.286
241 HB3 ALA 30 HB3 ALA 30 6.887 30.892 11.342
242 H VAL 31 H VAL 31 6.350 27.034 10.931
243 HA VAL 31 HA VAL 31 8.968 25.573 11.095
244 HB VAL 31 HB VAL 31 6.235 24.405 10.533
245 HG11 VAL 31 HG11 VAL 31 9.016 23.157 10.289
246 HG12 VAL 31 HG12 VAL 31 7.516 22.224 10.369
247 HG13 VAL 31 HG13 VAL 31 7.782 23.305 9.007
248 HG21 VAL 31 HG21 VAL 31 6.905 24.746 12.919
249 HG22 VAL 31 HG22 VAL 31 6.755 23.044 12.518
250 HG23 VAL 31 HG23 VAL 31 8.366 23.782 12.643
251 H ARG 32 H ARG 32 10.073 25.179 9.302
252 HA ARG 32 HA ARG 32 9.101 26.242 6.672
253 HB2 ARG 32 HB2 ARG 32 11.917 26.482 7.791
254 HB3 ARG 32 HB3 ARG 32 11.312 27.155 6.272
255 HG2 ARG 32 HG2 ARG 32 9.770 28.640 7.592
256 HG3 ARG 32 HG3 ARG 32 10.470 27.990 9.083
257 HD2 ARG 32 HD2 ARG 32 12.727 28.770 8.323
258 HD3 ARG 32 HD3 ARG 32 11.927 29.565 6.948
259 HE ARG 32 HE ARG 32 10.729 30.308 9.481
260 HH11 ARG 32 HH11 ARG 32 11.007 32.338 10.301
261 HH12 ARG 32 HH12 ARG 32 12.323 33.340 9.753
262 HH21 ARG 32 HH21 ARG 32 13.546 31.027 7.522
263 HH22 ARG 32 HH22 ARG 32 13.737 32.611 8.213
264 H VAL 33 H VAL 33 9.664 25.058 4.863
265 HA VAL 33 HA VAL 33 11.141 22.474 5.253
266 HB VAL 33 HB VAL 33 9.481 21.296 3.913
267 HG11 VAL 33 HG11 VAL 33 7.705 21.084 5.594
268 HG12 VAL 33 HG12 VAL 33 9.301 21.146 6.328
269 HG13 VAL 33 HG13 VAL 33 8.244 22.578 6.378
270 HG21 VAL 33 HG21 VAL 33 7.723 23.759 4.188
271 HG22 VAL 33 HG22 VAL 33 8.438 23.168 2.671
272 HG23 VAL 33 HG23 VAL 33 7.238 22.188 3.523
273 H THR 34 H THR 34 12.111 21.553 3.475
274 HA THR 34 HA THR 34 12.098 23.025 0.867
275 HB THR 34 HB THR 34 14.567 21.860 2.204
276 HG1 THR 34 HG1 THR 34 13.934 23.798 3.178
277 HG21 THR 34 HG21 THR 34 15.773 23.067 0.382
278 HG22 THR 34 HG22 THR 34 14.755 21.758 -0.226
279 HG23 THR 34 HG23 THR 34 14.209 23.448 -0.387
280 H THR 35 H THR 35 11.885 21.682 -0.906
281 HA THR 35 HA THR 35 12.004 18.708 -0.456
282 HB THR 35 HB THR 35 10.239 18.414 -2.011
283 HG1 THR 35 HG1 THR 35 9.202 20.320 -2.871
284 HG21 THR 35 HG21 THR 35 8.344 19.436 -0.917
285 HG22 THR 35 HG22 THR 35 9.543 19.035 0.322
286 HG23 THR 35 HG23 THR 35 9.354 20.726 -0.224
287 H LEU 36 H LEU 36 12.352 17.397 -2.409
288 HA LEU 36 HA LEU 36 14.714 18.195 -3.820
289 HB2 LEU 36 HB2 LEU 36 14.773 16.054 -4.665
290 HB3 LEU 36 HB3 LEU 36 13.984 15.848 -3.114
291 HG LEU 36 HG LEU 36 12.660 15.827 -5.880
292 HD11 LEU 36 HD11 LEU 36 13.974 13.813 -5.307
293 HD12 LEU 36 HD12 LEU 36 13.017 13.631 -3.814
294 HD13 LEU 36 HD13 LEU 36 12.239 13.478 -5.403
295 HD21 LEU 36 HD21 LEU 36 10.611 15.043 -4.632
296 HD22 LEU 36 HD22 LEU 36 11.434 15.507 -3.122
297 HD23 LEU 36 HD23 LEU 36 11.014 16.733 -4.330
298 H PHE 37 H PHE 37 11.534 19.085 -4.511
299 HA PHE 37 HA PHE 37 11.914 19.450 -7.404
300 HB2 PHE 37 HB2 PHE 37 9.722 20.499 -5.586
301 HB3 PHE 37 HB3 PHE 37 9.701 20.435 -7.345
302 HD1 PHE 37 HD1 PHE 37 8.529 18.802 -4.448
303 HD2 PHE 37 HD2 PHE 37 10.147 17.969 -8.364
304 HE1 PHE 37 HE1 PHE 37 7.518 16.528 -4.388
305 HE2 PHE 37 HE2 PHE 37 9.114 15.717 -8.313
306 HZ PHE 37 HZ PHE 37 7.822 14.983 -6.312
307 H ASP 38 H ASP 38 13.387 20.894 -4.922
308 HA ASP 38 HA ASP 38 14.341 22.810 -4.390
309 HB2 ASP 38 HB2 ASP 38 13.905 23.777 -7.215
310 HB3 ASP 38 HB3 ASP 38 15.033 24.418 -6.028
311 H GLU 39 H GLU 39 11.299 22.519 -4.304
312 HA GLU 39 HA GLU 39 10.411 25.319 -4.087
313 HB2 GLU 39 HB2 GLU 39 9.060 22.699 -3.367
314 HB3 GLU 39 HB3 GLU 39 8.378 24.301 -3.058
315 HG2 GLU 39 HG2 GLU 39 8.468 24.834 -5.462
316 HG3 GLU 39 HG3 GLU 39 9.107 23.220 -5.796
317 H GLU 40 H GLU 40 9.836 26.332 -2.231
318 HA GLU 40 HA GLU 40 10.571 25.191 0.405
319 HB2 GLU 40 HB2 GLU 40 11.429 27.931 -0.596
320 HB3 GLU 40 HB3 GLU 40 11.422 27.448 1.106
321 HG2 GLU 40 HG2 GLU 40 13.032 25.670 0.664
322 HG3 GLU 40 HG3 GLU 40 12.984 26.009 -1.072
323 H HIS 41 H HIS 41 9.241 25.724 2.011
324 HA HIS 41 HA HIS 41 7.045 27.698 1.656
325 HB2 HIS 41 HB2 HIS 41 6.549 24.758 2.259
326 HB3 HIS 41 HB3 HIS 41 5.343 26.032 2.321
327 HD2 HIS 41 HD2 HIS 41 7.073 23.681 -0.111
328 HE1 HIS 41 HE1 HIS 41 4.556 26.173 -2.496
329 HE2 HIS 41 HE2 HIS 41 6.030 24.091 -2.509
330 H ALA 42 H ALA 42 5.931 28.236 3.598
331 HA ALA 42 HA ALA 42 7.181 27.424 6.156
332 HB1 ALA 42 HB1 ALA 42 6.870 30.318 5.233
333 HB2 ALA 42 HB2 ALA 42 7.406 29.801 6.844
334 HB3 ALA 42 HB3 ALA 42 8.411 29.427 5.421
335 H PHE 43 H PHE 43 5.937 27.558 7.930
336 HA PHE 43 HA PHE 43 3.045 28.295 7.681
337 HB2 PHE 43 HB2 PHE 43 4.201 25.702 8.716
338 HB3 PHE 43 HB3 PHE 43 2.513 26.186 8.804
339 HD1 PHE 43 HD1 PHE 43 1.161 26.447 6.707
340 HD2 PHE 43 HD2 PHE 43 5.180 24.901 6.640
341 HE1 PHE 43 HE1 PHE 43 0.800 25.628 4.387
342 HE2 PHE 43 HE2 PHE 43 4.839 24.119 4.304
343 HZ PHE 43 HZ PHE 43 2.651 24.479 3.177
344 HA PRO 44 HA PRO 44 4.755 30.168 11.481
345 HB2 PRO 44 HB2 PRO 44 3.112 32.363 11.628
346 HB3 PRO 44 HB3 PRO 44 4.563 32.247 10.596
347 HG2 PRO 44 HG2 PRO 44 1.676 31.801 9.804
348 HG3 PRO 44 HG3 PRO 44 2.953 32.739 8.943
349 HD2 PRO 44 HD2 PRO 44 2.283 30.182 8.258
350 HD3 PRO 44 HD3 PRO 44 3.958 30.790 8.105
351 H GLY 45 H GLY 45 4.147 30.239 13.600
352 HA2 GLY 45 HA2 GLY 45 2.807 29.966 15.487
353 HA3 GLY 45 HA3 GLY 45 1.416 29.561 14.489
354 H LEU 46 H LEU 46 4.133 27.729 13.548
355 HA LEU 46 HA LEU 46 3.184 25.368 15.121
356 HB2 LEU 46 HB2 LEU 46 4.419 25.422 12.357
357 HB3 LEU 46 HB3 LEU 46 3.895 23.987 13.228
358 HG LEU 46 HG LEU 46 2.090 26.199 12.184
359 HD11 LEU 46 HD11 LEU 46 3.082 24.592 10.533
360 HD12 LEU 46 HD12 LEU 46 2.330 23.254 11.430
361 HD13 LEU 46 HD13 LEU 46 1.310 24.479 10.653
362 HD21 LEU 46 HD21 LEU 46 1.073 25.337 14.222
363 HD22 LEU 46 HD22 LEU 46 0.218 24.653 12.833
364 HD23 LEU 46 HD23 LEU 46 1.394 23.652 13.724
365 H ALA 47 H ALA 47 4.610 23.704 15.559
366 HA ALA 47 HA ALA 47 7.518 24.033 15.269
367 HB1 ALA 47 HB1 ALA 47 7.919 23.393 17.630
368 HB2 ALA 47 HB2 ALA 47 7.057 24.932 17.522
369 HB3 ALA 47 HB3 ALA 47 6.171 23.454 17.948
370 H ILE 48 H ILE 48 8.606 21.872 15.557
371 HA ILE 48 HA ILE 48 7.015 19.758 14.337
372 HB ILE 48 HB ILE 48 9.869 19.675 15.351
373 HG12 ILE 48 HG12 ILE 48 9.002 19.936 12.444
374 HG13 ILE 48 HG13 ILE 48 9.327 21.356 13.437
375 HG21 ILE 48 HG21 ILE 48 8.290 17.794 13.532
376 HG22 ILE 48 HG22 ILE 48 10.028 17.673 13.814
377 HG23 ILE 48 HG23 ILE 48 8.918 17.414 15.152
378 HD11 ILE 48 HD11 ILE 48 11.329 19.207 12.726
379 HD12 ILE 48 HD12 ILE 48 11.310 20.897 12.206
380 HD13 ILE 48 HD13 ILE 48 11.613 20.510 13.901
381 H GLY 49 H GLY 49 5.820 18.279 15.374
382 HA2 GLY 49 HA2 GLY 49 5.835 18.230 18.339
383 HA3 GLY 49 HA3 GLY 49 4.574 17.651 17.245
384 H ARG 50 H ARG 50 5.803 15.842 15.636
385 HA ARG 50 HA ARG 50 7.368 13.921 17.255
386 HB2 ARG 50 HB2 ARG 50 4.719 13.083 16.012
387 HB3 ARG 50 HB3 ARG 50 5.861 12.048 16.869
388 HG2 ARG 50 HG2 ARG 50 5.376 13.410 18.973
389 HG3 ARG 50 HG3 ARG 50 4.056 14.180 18.057
390 HD2 ARG 50 HD2 ARG 50 4.377 11.241 18.784
391 HD3 ARG 50 HD3 ARG 50 3.166 12.354 19.388
392 HE ARG 50 HE ARG 50 2.075 12.370 17.231
393 HH11 ARG 50 HH11 ARG 50 4.395 9.679 17.513
394 HH12 ARG 50 HH12 ARG 50 4.057 9.162 15.891
395 HH21 ARG 50 HH21 ARG 50 1.657 11.474 15.209
396 HH22 ARG 50 HH22 ARG 50 2.639 10.126 14.656
397 H VAL 51 H VAL 51 8.145 12.098 16.013
398 HA VAL 51 HA VAL 51 7.617 12.186 13.088
399 HB VAL 51 HB VAL 51 10.392 11.505 14.076
400 HG11 VAL 51 HG11 VAL 51 9.202 12.050 11.332
401 HG12 VAL 51 HG12 VAL 51 10.927 11.755 11.667
402 HG13 VAL 51 HG13 VAL 51 9.726 10.487 11.947
403 HG21 VAL 51 HG21 VAL 51 11.141 13.645 13.097
404 HG22 VAL 51 HG22 VAL 51 9.442 14.151 12.935
405 HG23 VAL 51 HG23 VAL 51 10.165 13.871 14.539
406 H ASP 52 H ASP 52 6.789 10.363 12.410
407 HA ASP 52 HA ASP 52 7.115 7.801 13.906
408 HB2 ASP 52 HB2 ASP 52 5.255 8.667 11.654
409 HB3 ASP 52 HB3 ASP 52 5.347 7.024 12.306
410 H LEU 53 H LEU 53 9.309 7.293 13.289
411 HA LEU 53 HA LEU 53 10.092 7.175 10.487
412 HB2 LEU 53 HB2 LEU 53 11.353 5.810 12.891
413 HB3 LEU 53 HB3 LEU 53 12.021 5.899 11.282
414 HG LEU 53 HG LEU 53 13.223 7.402 12.579
415 HD11 LEU 53 HD11 LEU 53 12.878 9.566 11.483
416 HD12 LEU 53 HD12 LEU 53 12.708 8.223 10.338
417 HD13 LEU 53 HD13 LEU 53 11.261 9.062 10.951
418 HD21 LEU 53 HD21 LEU 53 10.743 8.926 13.421
419 HD22 LEU 53 HD22 LEU 53 11.601 7.739 14.436
420 HD23 LEU 53 HD23 LEU 53 12.422 9.200 13.903
421 H ARG 54 H ARG 54 8.061 5.234 12.349
422 HA ARG 54 HA ARG 54 8.161 2.682 11.020
423 HB2 ARG 54 HB2 ARG 54 5.816 4.265 12.209
424 HB3 ARG 54 HB3 ARG 54 5.748 2.569 11.716
425 HG2 ARG 54 HG2 ARG 54 7.418 1.954 13.414
426 HG3 ARG 54 HG3 ARG 54 7.619 3.647 13.872
427 HD2 ARG 54 HD2 ARG 54 6.185 2.594 15.488
428 HD3 ARG 54 HD3 ARG 54 5.252 3.762 14.560
429 HE ARG 54 HE ARG 54 5.184 0.976 13.578
430 HH11 ARG 54 HH11 ARG 54 3.519 3.266 15.648
431 HH12 ARG 54 HH12 ARG 54 2.027 2.366 15.597
432 HH21 ARG 54 HH21 ARG 54 3.249 -0.113 13.544
433 HH22 ARG 54 HH22 ARG 54 1.883 0.500 14.433
434 H SER 55 H SER 55 6.822 5.786 10.001
435 HA SER 55 HA SER 55 5.863 4.606 7.412
436 HB2 SER 55 HB2 SER 55 3.812 5.910 7.636
437 HB3 SER 55 HB3 SER 55 4.002 4.798 8.998
438 HG SER 55 HG SER 55 3.373 6.868 9.704
439 H GLY 56 H GLY 56 7.721 7.072 8.870
440 HA2 GLY 56 HA2 GLY 56 9.004 8.703 7.842
441 HA3 GLY 56 HA3 GLY 56 8.179 8.431 6.308
442 H VAL 57 H VAL 57 6.125 9.020 9.104
443 HA VAL 57 HA VAL 57 5.347 11.626 7.924
444 HB VAL 57 HB VAL 57 4.018 9.941 10.068
445 HG11 VAL 57 HG11 VAL 57 2.108 11.542 9.804
446 HG12 VAL 57 HG12 VAL 57 3.509 12.304 10.539
447 HG13 VAL 57 HG13 VAL 57 3.146 12.601 8.823
448 HG21 VAL 57 HG21 VAL 57 2.273 9.680 8.331
449 HG22 VAL 57 HG22 VAL 57 3.249 10.635 7.203
450 HG23 VAL 57 HG23 VAL 57 3.827 9.051 7.764
451 H ILE 58 H ILE 58 6.140 13.437 8.571
452 HA ILE 58 HA ILE 58 7.111 13.880 11.359
453 HB ILE 58 HB ILE 58 7.437 15.416 8.767
454 HG12 ILE 58 HG12 ILE 58 9.561 14.233 10.595
455 HG13 ILE 58 HG13 ILE 58 8.876 13.363 9.221
456 HG21 ILE 58 HG21 ILE 58 7.124 17.075 10.558
457 HG22 ILE 58 HG22 ILE 58 8.336 16.247 11.559
458 HG23 ILE 58 HG23 ILE 58 8.794 17.061 10.050
459 HD11 ILE 58 HD11 ILE 58 10.532 15.888 9.148
460 HD12 ILE 58 HD12 ILE 58 10.945 14.290 8.520
461 HD13 ILE 58 HD13 ILE 58 9.678 15.237 7.718
462 H SER 59 H SER 59 5.609 14.596 12.733
463 HA SER 59 HA SER 59 3.110 15.864 11.700
464 HB2 SER 59 HB2 SER 59 2.864 13.779 12.994
465 HB3 SER 59 HB3 SER 59 3.733 14.527 14.355
466 HG SER 59 HG SER 59 1.173 15.139 13.295
467 H LEU 60 H LEU 60 2.850 17.993 11.937
468 HA LEU 60 HA LEU 60 4.493 19.512 13.906
469 HB2 LEU 60 HB2 LEU 60 2.646 20.596 11.771
470 HB3 LEU 60 HB3 LEU 60 3.836 21.471 12.718
471 HG LEU 60 HG LEU 60 4.349 19.456 10.497
472 HD11 LEU 60 HD11 LEU 60 3.791 21.762 9.805
473 HD12 LEU 60 HD12 LEU 60 5.064 22.403 10.852
474 HD13 LEU 60 HD13 LEU 60 5.469 21.401 9.443
475 HD21 LEU 60 HD21 LEU 60 6.084 19.036 12.165
476 HD22 LEU 60 HD22 LEU 60 6.770 19.924 10.813
477 HD23 LEU 60 HD23 LEU 60 6.394 20.780 12.329
478 H ILE 61 H ILE 61 3.652 21.013 15.307
479 HA ILE 61 HA ILE 61 0.784 20.886 16.061
480 HB ILE 61 HB ILE 61 1.382 20.661 18.451
481 HG12 ILE 61 HG12 ILE 61 3.616 19.421 18.910
482 HG13 ILE 61 HG13 ILE 61 4.207 20.158 17.428
483 HG21 ILE 61 HG21 ILE 61 2.270 18.282 16.775
484 HG22 ILE 61 HG22 ILE 61 1.623 18.257 18.428
485 HG23 ILE 61 HG23 ILE 61 0.587 18.761 17.085
486 HD11 ILE 61 HD11 ILE 61 4.850 21.364 19.489
487 HD12 ILE 61 HD12 ILE 61 3.901 22.394 18.417
488 HD13 ILE 61 HD13 ILE 61 3.140 21.657 19.856
489 H GLU 62 H GLU 62 0.150 22.652 17.572
490 HA GLU 62 HA GLU 62 1.188 25.170 16.634
491 HB2 GLU 62 HB2 GLU 62 -0.651 24.634 19.002
492 HB3 GLU 62 HB3 GLU 62 -0.338 26.182 18.215
493 HG2 GLU 62 HG2 GLU 62 -2.346 25.600 17.294
494 HG3 GLU 62 HG3 GLU 62 -1.219 25.106 16.038
495 H GLU 63 H GLU 63 2.676 26.559 17.493
496 HA GLU 63 HA GLU 63 4.536 25.477 19.387
497 HB2 GLU 63 HB2 GLU 63 5.889 27.404 18.916
498 HB3 GLU 63 HB3 GLU 63 5.179 26.759 17.460
499 HG2 GLU 63 HG2 GLU 63 4.880 28.987 17.060
500 HG3 GLU 63 HG3 GLU 63 3.323 28.603 17.790
501 H GLN 64 H GLN 64 1.762 27.386 19.950
502 HA GLN 64 HA GLN 64 2.318 27.327 22.844
503 HB2 GLN 64 HB2 GLN 64 1.515 29.853 21.352
504 HB3 GLN 64 HB3 GLN 64 1.187 29.621 23.068
505 HG2 GLN 64 HG2 GLN 64 3.563 29.390 23.571
506 HG3 GLN 64 HG3 GLN 64 3.980 29.547 21.867
507 HE21 GLN 64 HE21 GLN 64 3.523 31.603 20.770
508 HE22 GLN 64 HE22 GLN 64 3.459 33.087 21.744
509 H ASN 65 H ASN 65 0.497 27.066 24.101
510 HA ASN 65 HA ASN 65 -2.113 26.646 22.700
511 HB2 ASN 65 HB2 ASN 65 -0.934 25.012 24.983
512 HB3 ASN 65 HB3 ASN 65 -2.462 24.702 24.172
513 HD21 ASN 65 HD21 ASN 65 -2.323 24.204 21.767
514 HD22 ASN 65 HD22 ASN 65 -0.911 23.316 21.227
515 H ARG 66 H ARG 66 -0.726 28.636 24.899
516 HA ARG 66 HA ARG 66 -2.903 28.874 26.850
517 HB2 ARG 66 HB2 ARG 66 -1.642 30.757 27.747
518 HB3 ARG 66 HB3 ARG 66 -0.668 29.298 27.610
519 HG2 ARG 66 HG2 ARG 66 0.444 30.174 25.592
520 HG3 ARG 66 HG3 ARG 66 -0.571 31.630 25.653
521 HD2 ARG 66 HD2 ARG 66 0.359 32.247 27.818
522 HD3 ARG 66 HD3 ARG 66 1.303 30.749 27.889
523 HE ARG 66 HE ARG 66 2.144 31.920 25.525
524 HH11 ARG 66 HH11 ARG 66 2.140 33.105 28.826
525 HH12 ARG 66 HH12 ARG 66 3.549 34.096 28.541
526 HH21 ARG 66 HH21 ARG 66 3.859 33.121 25.245
527 HH22 ARG 66 HH22 ARG 66 4.506 34.107 26.545
528 H1 GLY -3 H1 GLY -3 25.774 -1.631 -5.270
529 H2 GLY -3 H2 GLY -3 25.053 -1.376 -3.819
530 H3 GLY -3 H3 GLY -3 26.466 -0.629 -4.178
531 HA2 GLY -3 HA2 GLY -3 25.426 0.662 -5.911
532 HA3 GLY -3 HA3 GLY -3 23.895 -0.149 -5.526
533 HA PRO -2 HA PRO -2 24.015 3.770 -3.036
534 HB2 PRO -2 HB2 PRO -2 21.474 4.587 -3.488
535 HB3 PRO -2 HB3 PRO -2 22.788 4.838 -4.675
536 HG2 PRO -2 HG2 PRO -2 20.751 2.592 -4.625
537 HG3 PRO -2 HG3 PRO -2 21.170 3.663 -6.003
538 HD2 PRO -2 HD2 PRO -2 22.298 1.211 -5.733
539 HD3 PRO -2 HD3 PRO -2 23.257 2.602 -6.318
540 H GLY -1 H GLY -1 22.680 4.407 -1.165
541 HA2 GLY -1 HA2 GLY -1 21.997 2.106 0.539
542 HA3 GLY -1 HA3 GLY -1 22.066 3.795 1.001
543 H SER 0 H SER 0 20.109 2.755 2.171
544 HA SER 0 HA SER 0 17.721 3.917 0.947
545 HB2 SER 0 HB2 SER 0 17.576 1.600 0.137
546 HB3 SER 0 HB3 SER 0 17.744 0.998 1.795
547 HG SER 0 HG SER 0 15.557 1.108 1.089
548 H MET 1 H MET 1 16.364 4.791 2.471
549 HA MET 1 HA MET 1 17.404 5.042 5.181
550 HB2 MET 1 HB2 MET 1 14.852 6.119 3.915
551 HB3 MET 1 HB3 MET 1 15.440 6.510 5.528
552 HG2 MET 1 HG2 MET 1 17.547 7.416 4.501
553 HG3 MET 1 HG3 MET 1 16.849 7.115 2.913
554 HE1 MET 1 HE1 MET 1 15.478 8.705 6.360
555 HE2 MET 1 HE2 MET 1 17.086 9.388 5.995
556 HE3 MET 1 HE3 MET 1 15.644 10.419 5.906
557 H CYS 2 H CYS 2 16.862 3.988 6.949
558 HA CYS 2 HA CYS 2 14.151 3.147 7.473
559 HB2 CYS 2 HB2 CYS 2 15.110 1.138 6.311
560 HB3 CYS 2 HB3 CYS 2 16.335 1.030 7.594
561 HG CYS 2 HG CYS 2 14.412 -0.781 7.925
562 H MET 3 H MET 3 13.728 3.466 9.599
563 HA MET 3 HA MET 3 13.932 4.707 11.498
564 HB2 MET 3 HB2 MET 3 16.319 2.868 11.832
565 HB3 MET 3 HB3 MET 3 15.983 4.124 12.993
566 HG2 MET 3 HG2 MET 3 14.960 2.227 13.854
567 HG3 MET 3 HG3 MET 3 13.677 3.284 13.288
568 HE1 MET 3 HE1 MET 3 14.935 -0.767 11.510
569 HE2 MET 3 HE2 MET 3 15.866 0.676 11.035
570 HE3 MET 3 HE3 MET 3 15.800 0.190 12.742
571 H ALA 4 H ALA 4 15.642 6.124 12.853
572 HA ALA 4 HA ALA 4 17.403 7.739 11.066
573 HB1 ALA 4 HB1 ALA 4 15.202 8.826 11.046
574 HB2 ALA 4 HB2 ALA 4 15.156 8.811 12.828
575 HB3 ALA 4 HB3 ALA 4 16.344 9.810 11.977
576 H LYS 5 H LYS 5 18.461 9.515 12.654
577 HA LYS 5 HA LYS 5 18.869 8.350 15.366
578 HB2 LYS 5 HB2 LYS 5 21.165 8.852 15.477
579 HB3 LYS 5 HB3 LYS 5 20.891 7.818 14.076
580 HG2 LYS 5 HG2 LYS 5 21.162 9.746 12.568
581 HG3 LYS 5 HG3 LYS 5 21.271 10.847 13.956
582 HD2 LYS 5 HD2 LYS 5 23.294 9.656 14.755
583 HD3 LYS 5 HD3 LYS 5 23.222 8.576 13.336
584 HE2 LYS 5 HE2 LYS 5 23.578 10.478 11.839
585 HE3 LYS 5 HE3 LYS 5 23.462 11.619 13.194
586 HZ1 LYS 5 HZ1 LYS 5 25.770 11.179 12.628
587 HZ2 LYS 5 HZ2 LYS 5 25.456 10.653 14.145
588 HZ3 LYS 5 HZ3 LYS 5 25.600 9.584 12.912
589 H VAL 6 H VAL 6 19.020 9.681 17.057
590 HA VAL 6 HA VAL 6 18.157 12.518 16.664
591 HB VAL 6 HB VAL 6 17.721 10.516 18.880
592 HG11 VAL 6 HG11 VAL 6 17.213 13.498 19.068
593 HG12 VAL 6 HG12 VAL 6 16.634 12.267 20.215
594 HG13 VAL 6 HG13 VAL 6 18.364 12.571 20.071
595 HG21 VAL 6 HG21 VAL 6 15.774 12.345 17.452
596 HG22 VAL 6 HG22 VAL 6 16.108 10.679 16.939
597 HG23 VAL 6 HG23 VAL 6 15.397 10.992 18.528
598 H VAL 7 H VAL 7 19.318 14.194 17.520
599 HA VAL 7 HA VAL 7 21.710 13.597 19.177
600 HB VAL 7 HB VAL 7 22.512 13.781 16.910
601 HG11 VAL 7 HG11 VAL 7 20.815 15.284 15.914
602 HG12 VAL 7 HG12 VAL 7 21.435 16.633 16.896
603 HG13 VAL 7 HG13 VAL 7 22.455 15.890 15.662
604 HG21 VAL 7 HG21 VAL 7 23.914 14.608 18.813
605 HG22 VAL 7 HG22 VAL 7 24.255 15.433 17.283
606 HG23 VAL 7 HG23 VAL 7 23.298 16.251 18.518
607 H LEU 8 H LEU 8 22.186 14.974 20.772
608 HA LEU 8 HA LEU 8 20.699 17.502 21.125
609 HB2 LEU 8 HB2 LEU 8 19.638 16.824 23.188
610 HB3 LEU 8 HB3 LEU 8 19.200 15.741 21.887
611 HG LEU 8 HG LEU 8 21.207 14.246 22.878
612 HD11 LEU 8 HD11 LEU 8 21.845 15.787 24.715
613 HD12 LEU 8 HD12 LEU 8 20.168 15.778 25.309
614 HD13 LEU 8 HD13 LEU 8 21.139 14.303 25.369
615 HD21 LEU 8 HD21 LEU 8 18.888 13.518 22.600
616 HD22 LEU 8 HD22 LEU 8 19.527 13.022 24.180
617 HD23 LEU 8 HD23 LEU 8 18.412 14.409 24.066
618 H THR 9 H THR 9 21.352 18.731 22.971
619 HA THR 9 HA THR 9 24.168 18.231 23.873
620 HB THR 9 HB THR 9 22.785 20.926 23.816
621 HG1 THR 9 HG1 THR 9 23.006 20.219 21.714
622 HG21 THR 9 HG21 THR 9 24.725 20.797 25.323
623 HG22 THR 9 HG22 THR 9 25.709 20.086 24.026
624 HG23 THR 9 HG23 THR 9 25.129 21.760 23.900
625 H LYS 10 H LYS 10 24.584 18.042 25.966
626 HA LYS 10 HA LYS 10 22.384 17.872 27.926
627 HB2 LYS 10 HB2 LYS 10 25.381 17.400 28.167
628 HB3 LYS 10 HB3 LYS 10 24.194 17.077 29.434
629 HG2 LYS 10 HG2 LYS 10 23.022 15.495 27.825
630 HG3 LYS 10 HG3 LYS 10 24.418 15.655 26.753
631 HD2 LYS 10 HD2 LYS 10 24.522 14.741 29.668
632 HD3 LYS 10 HD3 LYS 10 24.492 13.644 28.295
633 HE2 LYS 10 HE2 LYS 10 26.662 14.307 27.554
634 HE3 LYS 10 HE3 LYS 10 26.655 15.766 28.539
635 HZ1 LYS 10 HZ1 LYS 10 28.017 13.998 29.514
636 HZ2 LYS 10 HZ2 LYS 10 26.808 14.440 30.515
637 HZ3 LYS 10 HZ3 LYS 10 26.708 13.035 29.681
638 H ALA 11 H ALA 11 22.512 18.833 30.041
639 HA ALA 11 HA ALA 11 23.208 21.613 30.244
640 HB1 ALA 11 HB1 ALA 11 22.729 19.497 32.394
641 HB2 ALA 11 HB2 ALA 11 22.732 21.255 32.645
642 HB3 ALA 11 HB3 ALA 11 21.481 20.513 31.625
643 H ASP 12 H ASP 12 25.097 18.698 30.648
644 HA ASP 12 HA ASP 12 27.387 19.766 32.033
645 HB2 ASP 12 HB2 ASP 12 27.212 17.473 30.036
646 HB3 ASP 12 HB3 ASP 12 28.522 17.753 31.179
647 H GLY 13 H GLY 13 26.232 20.441 28.872
648 HA2 GLY 13 HA2 GLY 13 27.139 21.754 27.186
649 HA3 GLY 13 HA3 GLY 13 28.719 21.722 27.981
650 H GLY 14 H GLY 14 28.120 18.560 27.977
651 HA2 GLY 14 HA2 GLY 14 29.485 17.906 25.447
652 HA3 GLY 14 HA3 GLY 14 28.922 16.776 26.679
653 H ARG 15 H ARG 15 28.558 16.061 24.140
654 HA ARG 15 HA ARG 15 25.633 16.408 23.614
655 HB2 ARG 15 HB2 ARG 15 27.919 16.429 21.625
656 HB3 ARG 15 HB3 ARG 15 26.260 16.020 21.157
657 HG2 ARG 15 HG2 ARG 15 25.429 18.135 22.047
658 HG3 ARG 15 HG3 ARG 15 27.060 18.619 22.531
659 HD2 ARG 15 HD2 ARG 15 27.797 18.725 20.254
660 HD3 ARG 15 HD3 ARG 15 26.288 17.988 19.663
661 HE ARG 15 HE ARG 15 25.391 20.180 21.036
662 HH11 ARG 15 HH11 ARG 15 27.603 19.880 18.334
663 HH12 ARG 15 HH12 ARG 15 27.194 21.465 17.721
664 HH21 ARG 15 HH21 ARG 15 24.932 22.140 20.230
665 HH22 ARG 15 HH22 ARG 15 25.697 22.712 18.767
666 H VAL 16 H VAL 16 24.510 14.789 22.669
667 HA VAL 16 HA VAL 16 25.576 12.009 22.969
668 HB VAL 16 HB VAL 16 22.930 13.078 24.025
669 HG11 VAL 16 HG11 VAL 16 22.568 10.791 24.914
670 HG12 VAL 16 HG12 VAL 16 22.570 10.831 23.153
671 HG13 VAL 16 HG13 VAL 16 23.998 10.226 24.024
672 HG21 VAL 16 HG21 VAL 16 24.816 13.587 25.521
673 HG22 VAL 16 HG22 VAL 16 23.766 12.354 26.227
674 HG23 VAL 16 HG23 VAL 16 25.313 11.882 25.492
675 H GLU 17 H GLU 17 24.999 10.629 21.417
676 HA GLU 17 HA GLU 17 22.897 11.395 19.438
677 HB2 GLU 17 HB2 GLU 17 25.472 9.868 18.926
678 HB3 GLU 17 HB3 GLU 17 24.125 9.999 17.787
679 HG2 GLU 17 HG2 GLU 17 24.376 12.474 17.779
680 HG3 GLU 17 HG3 GLU 17 25.744 12.337 18.884
681 H ILE 18 H ILE 18 21.417 9.866 18.907
682 HA ILE 18 HA ILE 18 21.442 7.221 20.328
683 HB ILE 18 HB ILE 18 19.077 9.090 19.968
684 HG12 ILE 18 HG12 ILE 18 20.528 8.340 22.548
685 HG13 ILE 18 HG13 ILE 18 20.690 9.885 21.709
686 HG21 ILE 18 HG21 ILE 18 17.805 7.470 21.271
687 HG22 ILE 18 HG22 ILE 18 18.486 6.662 19.866
688 HG23 ILE 18 HG23 ILE 18 19.240 6.428 21.449
689 HD11 ILE 18 HD11 ILE 18 19.194 10.252 23.471
690 HD12 ILE 18 HD12 ILE 18 18.233 10.279 21.985
691 HD13 ILE 18 HD13 ILE 18 18.196 8.847 23.059
692 H GLY 19 H GLY 19 21.693 5.747 18.764
693 HA2 GLY 19 HA2 GLY 19 20.841 6.207 16.007
694 HA3 GLY 19 HA3 GLY 19 21.731 4.828 16.617
695 H ASP 20 H ASP 20 19.763 4.529 14.769
696 HA ASP 20 HA ASP 20 17.923 3.368 14.192
697 HB2 ASP 20 HB2 ASP 20 18.525 1.703 16.640
698 HB3 ASP 20 HB3 ASP 20 17.722 1.205 15.141
699 H VAL 21 H VAL 21 17.152 5.653 15.433
700 HA VAL 21 HA VAL 21 15.043 5.248 17.394
701 HB VAL 21 HB VAL 21 15.819 7.616 15.640
702 HG11 VAL 21 HG11 VAL 21 13.445 7.873 16.037
703 HG12 VAL 21 HG12 VAL 21 13.635 7.431 17.750
704 HG13 VAL 21 HG13 VAL 21 14.305 8.958 17.115
705 HG21 VAL 21 HG21 VAL 21 17.383 7.002 17.479
706 HG22 VAL 21 HG22 VAL 21 16.586 8.538 17.809
707 HG23 VAL 21 HG23 VAL 21 16.055 7.070 18.645
708 H LEU 22 H LEU 22 13.077 4.655 17.101
709 HA LEU 22 HA LEU 22 11.963 4.270 14.377
710 HB2 LEU 22 HB2 LEU 22 12.484 2.316 15.768
711 HB3 LEU 22 HB3 LEU 22 11.380 2.880 17.019
712 HG LEU 22 HG LEU 22 10.183 2.671 14.277
713 HD11 LEU 22 HD11 LEU 22 11.685 0.724 14.208
714 HD12 LEU 22 HD12 LEU 22 10.977 0.139 15.728
715 HD13 LEU 22 HD13 LEU 22 9.988 0.262 14.260
716 HD21 LEU 22 HD21 LEU 22 9.394 1.594 17.038
717 HD22 LEU 22 HD22 LEU 22 8.791 3.089 16.296
718 HD23 LEU 22 HD23 LEU 22 8.380 1.516 15.591
719 H GLU 23 H GLU 23 11.380 5.977 17.404
720 HA GLU 23 HA GLU 23 9.480 7.665 16.016
721 HB2 GLU 23 HB2 GLU 23 8.056 5.763 17.110
722 HB3 GLU 23 HB3 GLU 23 8.497 6.531 18.645
723 HG2 GLU 23 HG2 GLU 23 7.560 8.719 17.530
724 HG3 GLU 23 HG3 GLU 23 6.865 7.630 16.335
725 H VAL 24 H VAL 24 9.347 9.770 16.979
726 HA VAL 24 HA VAL 24 10.677 10.241 19.586
727 HB VAL 24 HB VAL 24 12.465 10.550 17.951
728 HG11 VAL 24 HG11 VAL 24 12.406 12.422 16.342
729 HG12 VAL 24 HG12 VAL 24 11.261 11.139 15.974
730 HG13 VAL 24 HG13 VAL 24 10.691 12.671 16.688
731 HG21 VAL 24 HG21 VAL 24 13.239 12.727 18.620
732 HG22 VAL 24 HG22 VAL 24 11.608 13.259 19.031
733 HG23 VAL 24 HG23 VAL 24 12.401 11.996 19.987
734 H ARG 25 H ARG 25 9.921 12.019 20.704
735 HA ARG 25 HA ARG 25 7.531 13.451 19.633
736 HB2 ARG 25 HB2 ARG 25 7.533 12.087 22.352
737 HB3 ARG 25 HB3 ARG 25 6.162 12.725 21.449
738 HG2 ARG 25 HG2 ARG 25 6.434 10.824 19.816
739 HG3 ARG 25 HG3 ARG 25 7.794 10.220 20.792
740 HD2 ARG 25 HD2 ARG 25 6.204 10.159 22.787
741 HD3 ARG 25 HD3 ARG 25 4.889 10.420 21.631
742 HE ARG 25 HE ARG 25 5.489 8.342 20.499
743 HH11 ARG 25 HH11 ARG 25 7.071 8.642 23.637
744 HH12 ARG 25 HH12 ARG 25 7.579 6.963 23.628
745 HH21 ARG 25 HH21 ARG 25 6.209 6.281 20.550
746 HH22 ARG 25 HH22 ARG 25 7.255 5.753 21.856
747 H ALA 26 H ALA 26 7.620 15.563 20.121
748 HA ALA 26 HA ALA 26 9.041 16.564 22.537
749 HB1 ALA 26 HB1 ALA 26 8.460 18.770 21.627
750 HB2 ALA 26 HB2 ALA 26 9.353 17.802 20.439
751 HB3 ALA 26 HB3 ALA 26 7.603 18.007 20.268
752 H GLU 27 H GLU 27 7.840 16.053 24.317
753 HA GLU 27 HA GLU 27 4.948 16.611 24.498
754 HB2 GLU 27 HB2 GLU 27 4.903 14.566 23.278
755 HB3 GLU 27 HB3 GLU 27 6.149 13.823 24.255
756 HG2 GLU 27 HG2 GLU 27 3.498 14.647 25.508
757 HG3 GLU 27 HG3 GLU 27 3.605 13.186 24.534
758 H GLY 28 H GLY 28 4.295 16.971 26.551
759 HA2 GLY 28 HA2 GLY 28 4.245 17.073 28.843
760 HA3 GLY 28 HA3 GLY 28 5.265 15.633 28.852
761 H GLY 29 H GLY 29 6.253 18.771 27.506
762 HA2 GLY 29 HA2 GLY 29 7.836 20.333 28.194
763 HA3 GLY 29 HA3 GLY 29 7.780 19.652 29.819
764 H ALA 30 H ALA 30 8.497 17.503 27.191
765 HA ALA 30 HA ALA 30 11.430 17.560 27.532
766 HB1 ALA 30 HB1 ALA 30 10.485 16.103 29.373
767 HB2 ALA 30 HB2 ALA 30 9.644 15.156 28.143
768 HB3 ALA 30 HB3 ALA 30 11.412 15.160 28.183
769 H VAL 31 H VAL 31 12.469 15.955 26.037
770 HA VAL 31 HA VAL 31 10.674 15.090 23.806
771 HB VAL 31 HB VAL 31 13.677 15.354 23.780
772 HG11 VAL 31 HG11 VAL 31 13.227 13.225 22.692
773 HG12 VAL 31 HG12 VAL 31 11.836 13.905 21.814
774 HG13 VAL 31 HG13 VAL 31 13.471 14.423 21.417
775 HG21 VAL 31 HG21 VAL 31 11.489 16.399 21.916
776 HG22 VAL 31 HG22 VAL 31 12.188 17.332 23.245
777 HG23 VAL 31 HG23 VAL 31 13.210 16.834 21.900
778 H ARG 32 H ARG 32 10.140 13.074 23.622
779 HA ARG 32 HA ARG 32 11.556 10.956 25.188
780 HB2 ARG 32 HB2 ARG 32 8.580 11.268 24.632
781 HB3 ARG 32 HB3 ARG 32 9.328 9.685 24.874
782 HG2 ARG 32 HG2 ARG 32 8.484 10.284 26.979
783 HG3 ARG 32 HG3 ARG 32 10.226 10.437 27.070
784 HD2 ARG 32 HD2 ARG 32 10.001 12.523 27.856
785 HD3 ARG 32 HD3 ARG 32 9.266 13.015 26.334
786 HE ARG 32 HE ARG 32 7.060 12.444 27.173
787 HH11 ARG 32 HH11 ARG 32 5.623 13.060 28.674
788 HH12 ARG 32 HH12 ARG 32 6.119 13.316 30.339
789 HH21 ARG 32 HH21 ARG 32 9.459 12.781 29.736
790 HH22 ARG 32 HH22 ARG 32 8.249 13.235 30.902
791 H VAL 33 H VAL 33 12.047 9.072 24.115
792 HA VAL 33 HA VAL 33 11.629 8.980 21.183
793 HB VAL 33 HB VAL 33 13.574 10.377 21.496
794 HG11 VAL 33 HG11 VAL 33 14.432 9.516 23.650
795 HG12 VAL 33 HG12 VAL 33 14.917 8.005 22.840
796 HG13 VAL 33 HG13 VAL 33 15.685 9.545 22.407
797 HG21 VAL 33 HG21 VAL 33 13.478 8.965 19.523
798 HG22 VAL 33 HG22 VAL 33 15.149 9.217 20.059
799 HG23 VAL 33 HG23 VAL 33 14.347 7.665 20.374
800 H THR 34 H THR 34 11.809 7.022 20.237
801 HA THR 34 HA THR 34 11.890 4.617 22.016
802 HB THR 34 HB THR 34 10.080 5.161 19.638
803 HG1 THR 34 HG1 THR 34 9.594 6.422 21.465
804 HG21 THR 34 HG21 THR 34 10.109 2.882 21.657
805 HG22 THR 34 HG22 THR 34 8.784 3.212 20.520
806 HG23 THR 34 HG23 THR 34 10.374 2.766 19.905
807 H THR 35 H THR 35 12.975 2.872 21.290
808 HA THR 35 HA THR 35 14.159 2.921 18.525
809 HB THR 35 HB THR 35 15.894 1.466 19.303
810 HG1 THR 35 HG1 THR 35 14.742 1.673 21.880
811 HG21 THR 35 HG21 THR 35 17.122 2.867 20.856
812 HG22 THR 35 HG22 THR 35 16.269 3.905 19.694
813 HG23 THR 35 HG23 THR 35 15.635 3.719 21.338
814 H LEU 36 H LEU 36 14.407 0.793 17.466
815 HA LEU 36 HA LEU 36 12.002 -0.749 17.487
816 HB2 LEU 36 HB2 LEU 36 12.908 -1.994 15.766
817 HB3 LEU 36 HB3 LEU 36 13.533 -0.382 15.515
818 HG LEU 36 HG LEU 36 15.107 -2.687 16.787
819 HD11 LEU 36 HD11 LEU 36 14.553 -3.163 14.460
820 HD12 LEU 36 HD12 LEU 36 15.121 -1.551 13.970
821 HD13 LEU 36 HD13 LEU 36 16.271 -2.755 14.599
822 HD21 LEU 36 HD21 LEU 36 15.911 0.095 15.844
823 HD22 LEU 36 HD22 LEU 36 16.074 -0.577 17.495
824 HD23 LEU 36 HD23 LEU 36 17.072 -1.208 16.199
825 H PHE 37 H PHE 37 14.590 -0.971 19.673
826 HA PHE 37 HA PHE 37 14.264 -3.802 20.351
827 HB2 PHE 37 HB2 PHE 37 15.596 -1.575 21.912
828 HB3 PHE 37 HB3 PHE 37 15.786 -3.306 22.158
829 HD1 PHE 37 HD1 PHE 37 16.679 -4.701 20.112
830 HD2 PHE 37 HD2 PHE 37 17.195 -0.441 20.562
831 HE1 PHE 37 HE1 PHE 37 18.545 -4.751 18.474
832 HE2 PHE 37 HE2 PHE 37 19.059 -0.494 18.922
833 HZ PHE 37 HZ PHE 37 19.740 -2.656 17.881
834 H ASP 38 H ASP 38 12.165 -1.304 20.669
835 HA ASP 38 HA ASP 38 10.486 -0.653 21.929
836 HB2 ASP 38 HB2 ASP 38 9.898 -3.124 21.793
837 HB3 ASP 38 HB3 ASP 38 10.531 -3.291 23.428
838 H GLU 39 H GLU 39 13.331 -0.333 22.833
839 HA GLU 39 HA GLU 39 13.008 0.363 25.695
840 HB2 GLU 39 HB2 GLU 39 15.103 -0.685 24.937
841 HB3 GLU 39 HB3 GLU 39 15.390 0.638 23.806
842 HG2 GLU 39 HG2 GLU 39 15.678 2.227 25.601
843 HG3 GLU 39 HG3 GLU 39 15.070 1.063 26.788
844 H GLU 40 H GLU 40 12.888 2.474 26.421
845 HA GLU 40 HA GLU 40 12.768 4.660 24.420
846 HB2 GLU 40 HB2 GLU 40 10.810 4.228 26.698
847 HB3 GLU 40 HB3 GLU 40 10.931 5.709 25.751
848 HG2 GLU 40 HG2 GLU 40 10.443 4.379 23.680
849 HG3 GLU 40 HG3 GLU 40 10.192 2.960 24.688
850 H HIS 41 H HIS 41 13.258 6.711 25.104
851 HA HIS 41 HA HIS 41 14.659 7.058 27.727
852 HB2 HIS 41 HB2 HIS 41 15.738 8.124 25.095
853 HB3 HIS 41 HB3 HIS 41 16.494 8.200 26.678
854 HD2 HIS 41 HD2 HIS 41 16.196 6.062 23.594
855 HE1 HIS 41 HE1 HIS 41 18.377 3.657 26.381
856 HE2 HIS 41 HE2 HIS 41 17.647 3.874 23.946
857 H ALA 42 H ALA 42 14.874 9.322 28.384
858 HA ALA 42 HA ALA 42 12.956 11.211 27.142
859 HB1 ALA 42 HB1 ALA 42 11.870 11.618 29.303
860 HB2 ALA 42 HB2 ALA 42 11.712 9.900 28.873
861 HB3 ALA 42 HB3 ALA 42 12.907 10.413 30.085
862 H PHE 43 H PHE 43 13.460 13.293 27.300
863 HA PHE 43 HA PHE 43 15.815 14.218 28.909
864 HB2 PHE 43 HB2 PHE 43 15.356 14.669 25.955
865 HB3 PHE 43 HB3 PHE 43 16.671 15.334 26.929
866 HD1 PHE 43 HD1 PHE 43 15.401 12.407 25.104
867 HD2 PHE 43 HD2 PHE 43 18.443 13.780 27.854
868 HE1 PHE 43 HE1 PHE 43 16.700 10.338 24.715
869 HE2 PHE 43 HE2 PHE 43 19.727 11.698 27.461
870 HZ PHE 43 HZ PHE 43 18.856 9.965 25.909
871 HA PRO 44 HA PRO 44 12.376 17.182 29.609
872 HB2 PRO 44 HB2 PRO 44 14.174 17.786 31.935
873 HB3 PRO 44 HB3 PRO 44 12.391 17.670 31.892
874 HG2 PRO 44 HG2 PRO 44 13.843 15.612 32.880
875 HG3 PRO 44 HG3 PRO 44 12.482 15.268 31.756
876 HD2 PRO 44 HD2 PRO 44 15.443 15.437 31.116
877 HD3 PRO 44 HD3 PRO 44 14.259 14.185 30.645
878 H GLY 45 H GLY 45 12.161 19.346 29.268
879 HA2 GLY 45 HA2 GLY 45 12.717 21.544 28.815
880 HA3 GLY 45 HA3 GLY 45 14.393 21.211 29.243
881 H LEU 46 H LEU 46 13.392 18.990 26.864
882 HA LEU 46 HA LEU 46 14.533 20.662 24.678
883 HB2 LEU 46 HB2 LEU 46 14.260 17.649 24.817
884 HB3 LEU 46 HB3 LEU 46 14.971 18.574 23.498
885 HG LEU 46 HG LEU 46 16.087 18.233 26.296
886 HD11 LEU 46 HD11 LEU 46 17.227 17.495 23.573
887 HD12 LEU 46 HD12 LEU 46 17.883 17.068 25.168
888 HD13 LEU 46 HD13 LEU 46 16.354 16.371 24.620
889 HD21 LEU 46 HD21 LEU 46 17.157 19.930 23.998
890 HD22 LEU 46 HD22 LEU 46 16.642 20.521 25.598
891 HD23 LEU 46 HD23 LEU 46 18.073 19.502 25.460
892 H ALA 47 H ALA 47 13.728 20.461 22.579
893 HA ALA 47 HA ALA 47 11.155 19.154 22.025
894 HB1 ALA 47 HB1 ALA 47 10.267 21.144 20.864
895 HB2 ALA 47 HB2 ALA 47 10.499 21.468 22.593
896 HB3 ALA 47 HB3 ALA 47 11.665 22.096 21.408
897 H ILE 48 H ILE 48 10.857 18.947 19.599
898 HA ILE 48 HA ILE 48 13.398 18.287 18.290
899 HB ILE 48 HB ILE 48 10.550 18.207 17.228
900 HG12 ILE 48 HG12 ILE 48 12.188 15.748 17.919
901 HG13 ILE 48 HG13 ILE 48 11.270 16.569 19.184
902 HG21 ILE 48 HG21 ILE 48 13.181 17.154 16.085
903 HG22 ILE 48 HG22 ILE 48 11.588 16.694 15.468
904 HG23 ILE 48 HG23 ILE 48 12.112 18.377 15.361
905 HD11 ILE 48 HD11 ILE 48 9.185 16.324 17.852
906 HD12 ILE 48 HD12 ILE 48 10.094 15.399 16.629
907 HD13 ILE 48 HD13 ILE 48 9.921 14.778 18.276
908 H GLY 49 H GLY 49 14.613 19.715 17.202
909 HA2 GLY 49 HA2 GLY 49 13.519 22.399 16.527
910 HA3 GLY 49 HA3 GLY 49 15.208 21.917 16.647
911 H ARG 50 H ARG 50 15.039 19.596 14.938
912 HA ARG 50 HA ARG 50 14.303 20.553 12.241
913 HB2 ARG 50 HB2 ARG 50 16.415 21.731 12.731
914 HB3 ARG 50 HB3 ARG 50 17.165 20.225 13.233
915 HG2 ARG 50 HG2 ARG 50 17.028 19.384 10.867
916 HG3 ARG 50 HG3 ARG 50 16.325 20.931 10.412
917 HD2 ARG 50 HD2 ARG 50 18.583 21.280 9.958
918 HD3 ARG 50 HD3 ARG 50 18.448 21.968 11.565
919 HE ARG 50 HE ARG 50 19.397 19.883 12.494
920 HH11 ARG 50 HH11 ARG 50 19.864 20.209 8.994
921 HH12 ARG 50 HH12 ARG 50 20.963 18.866 8.993
922 HH21 ARG 50 HH21 ARG 50 20.822 18.284 12.363
923 HH22 ARG 50 HH22 ARG 50 21.675 17.969 10.861
924 H VAL 51 H VAL 51 14.240 18.957 10.706
925 HA VAL 51 HA VAL 51 15.472 16.322 11.341
926 HB VAL 51 HB VAL 51 12.861 16.444 9.832
927 HG11 VAL 51 HG11 VAL 51 12.847 14.024 10.246
928 HG12 VAL 51 HG12 VAL 51 14.308 14.505 9.376
929 HG13 VAL 51 HG13 VAL 51 14.393 14.150 11.101
930 HG21 VAL 51 HG21 VAL 51 12.332 17.105 12.138
931 HG22 VAL 51 HG22 VAL 51 11.767 15.469 11.821
932 HG23 VAL 51 HG23 VAL 51 13.252 15.717 12.764
933 H ASP 52 H ASP 52 16.777 15.625 9.809
934 HA ASP 52 HA ASP 52 16.965 17.064 7.187
935 HB2 ASP 52 HB2 ASP 52 18.503 17.983 8.773
936 HB3 ASP 52 HB3 ASP 52 19.085 16.389 9.251
937 H LEU 53 H LEU 53 16.187 15.547 5.869
938 HA LEU 53 HA LEU 53 16.499 12.712 6.407
939 HB2 LEU 53 HB2 LEU 53 15.112 14.225 4.160
940 HB3 LEU 53 HB3 LEU 53 15.009 12.497 4.439
941 HG LEU 53 HG LEU 53 13.014 13.458 5.201
942 HD11 LEU 53 HD11 LEU 53 12.918 12.814 7.574
943 HD12 LEU 53 HD12 LEU 53 13.823 11.644 6.598
944 HD13 LEU 53 HD13 LEU 53 14.691 12.797 7.652
945 HD21 LEU 53 HD21 LEU 53 13.790 15.799 5.592
946 HD22 LEU 53 HD22 LEU 53 12.706 15.154 6.840
947 HD23 LEU 53 HD23 LEU 53 14.429 15.274 7.170
948 H ARG 54 H ARG 54 18.292 14.953 4.510
949 HA ARG 54 HA ARG 54 19.426 13.074 2.588
950 HB2 ARG 54 HB2 ARG 54 20.537 15.713 3.647
951 HB3 ARG 54 HB3 ARG 54 21.139 14.808 2.254
952 HG2 ARG 54 HG2 ARG 54 18.820 15.037 1.207
953 HG3 ARG 54 HG3 ARG 54 18.407 16.124 2.545
954 HD2 ARG 54 HD2 ARG 54 19.017 17.507 0.715
955 HD3 ARG 54 HD3 ARG 54 20.348 17.586 1.882
956 HE ARG 54 HE ARG 54 20.938 15.519 0.024
957 HH11 ARG 54 HH11 ARG 54 20.658 19.005 -0.047
958 HH12 ARG 54 HH12 ARG 54 21.715 19.154 -1.432
959 HH21 ARG 54 HH21 ARG 54 22.296 15.777 -1.719
960 HH22 ARG 54 HH22 ARG 54 22.623 17.378 -2.328
961 H SER 55 H SER 55 19.954 13.607 5.959
962 HA SER 55 HA SER 55 22.186 11.602 5.932
963 HB2 SER 55 HB2 SER 55 21.854 13.965 7.800
964 HB3 SER 55 HB3 SER 55 23.127 12.740 7.904
965 HG SER 55 HG SER 55 23.945 13.425 5.927
966 H GLY 56 H GLY 56 19.013 12.077 6.946
967 HA2 GLY 56 HA2 GLY 56 17.604 10.827 8.286
968 HA3 GLY 56 HA3 GLY 56 18.909 9.680 8.561
969 H VAL 57 H VAL 57 18.986 13.160 9.345
970 HA VAL 57 HA VAL 57 19.543 12.440 12.197
971 HB VAL 57 HB VAL 57 20.385 14.860 10.578
972 HG11 VAL 57 HG11 VAL 57 20.914 14.175 13.500
973 HG12 VAL 57 HG12 VAL 57 21.776 15.426 12.584
974 HG13 VAL 57 HG13 VAL 57 20.052 15.605 12.888
975 HG21 VAL 57 HG21 VAL 57 21.945 12.544 11.776
976 HG22 VAL 57 HG22 VAL 57 21.657 12.818 10.054
977 HG23 VAL 57 HG23 VAL 57 22.663 13.950 10.959
978 H ILE 58 H ILE 58 18.382 13.161 13.820
979 HA ILE 58 HA ILE 58 16.293 15.292 13.438
980 HB ILE 58 HB ILE 58 16.421 12.905 15.292
981 HG12 ILE 58 HG12 ILE 58 14.049 13.452 13.528
982 HG13 ILE 58 HG13 ILE 58 15.496 12.802 12.777
983 HG21 ILE 58 HG21 ILE 58 14.421 15.201 15.288
984 HG22 ILE 58 HG22 ILE 58 14.226 13.678 16.191
985 HG23 ILE 58 HG23 ILE 58 15.545 14.758 16.600
986 HD11 ILE 58 HD11 ILE 58 13.974 11.003 13.441
987 HD12 ILE 58 HD12 ILE 58 15.535 10.888 14.276
988 HD13 ILE 58 HD13 ILE 58 14.110 11.495 15.141
989 H SER 59 H SER 59 17.140 17.186 14.200
990 HA SER 59 HA SER 59 19.099 17.117 16.459
991 HB2 SER 59 HB2 SER 59 18.347 19.483 14.744
992 HB3 SER 59 HB3 SER 59 19.643 19.397 15.921
993 HG SER 59 HG SER 59 20.688 17.880 14.632
994 H LEU 60 H LEU 60 18.422 17.445 18.449
995 HA LEU 60 HA LEU 60 15.805 18.747 18.978
996 HB2 LEU 60 HB2 LEU 60 17.748 17.530 20.951
997 HB3 LEU 60 HB3 LEU 60 16.084 18.014 21.243
998 HG LEU 60 HG LEU 60 17.068 15.677 19.558
999 HD11 LEU 60 HD11 LEU 60 15.812 14.356 21.220
1000 HD12 LEU 60 HD12 LEU 60 17.064 15.332 21.990
1001 HD13 LEU 60 HD13 LEU 60 15.363 15.857 22.065
1002 HD21 LEU 60 HD21 LEU 60 15.132 16.546 18.379
1003 HD22 LEU 60 HD22 LEU 60 14.669 15.077 19.242
1004 HD23 LEU 60 HD23 LEU 60 14.212 16.672 19.896
1005 H ILE 61 H ILE 61 15.565 20.465 20.392
1006 HA ILE 61 HA ILE 61 17.894 22.220 20.967
1007 HB ILE 61 HB ILE 61 16.591 24.198 20.278
1008 HG12 ILE 61 HG12 ILE 61 14.823 23.735 18.426
1009 HG13 ILE 61 HG13 ILE 61 14.573 22.189 19.205
1010 HG21 ILE 61 HG21 ILE 61 18.338 23.192 18.851
1011 HG22 ILE 61 HG22 ILE 61 17.092 22.235 18.023
1012 HG23 ILE 61 HG23 ILE 61 17.086 24.008 17.909
1013 HD11 ILE 61 HD11 ILE 61 13.863 23.364 21.278
1014 HD12 ILE 61 HD12 ILE 61 14.271 24.924 20.530
1015 HD13 ILE 61 HD13 ILE 61 12.949 23.939 19.882
1016 H GLU 62 H GLU 62 17.510 23.794 22.635
1017 HA GLU 62 HA GLU 62 15.954 22.798 24.859
1018 HB2 GLU 62 HB2 GLU 62 18.113 23.944 25.135
1019 HB3 GLU 62 HB3 GLU 62 17.446 25.402 24.414
1020 HG2 GLU 62 HG2 GLU 62 15.811 25.556 26.290
1021 HG3 GLU 62 HG3 GLU 62 16.539 24.122 27.019
1022 H GLU 63 H GLU 63 13.882 23.262 25.400
1023 HA GLU 63 HA GLU 63 12.249 24.555 23.416
1024 HB2 GLU 63 HB2 GLU 63 10.401 23.663 24.601
1025 HB3 GLU 63 HB3 GLU 63 11.693 22.498 24.629
1026 HG2 GLU 63 HG2 GLU 63 11.072 22.295 26.790
1027 HG3 GLU 63 HG3 GLU 63 12.258 23.588 26.994
1028 H GLN 64 H GLN 64 13.537 25.778 26.414
1029 HA GLN 64 HA GLN 64 12.547 28.459 25.718
1030 HB2 GLN 64 HB2 GLN 64 12.026 27.181 28.433
1031 HB3 GLN 64 HB3 GLN 64 12.084 28.919 28.197
1032 HG2 GLN 64 HG2 GLN 64 10.130 27.078 26.761
1033 HG3 GLN 64 HG3 GLN 64 9.782 28.004 28.207
1034 HE21 GLN 64 HE21 GLN 64 10.245 28.214 24.714
1035 HE22 GLN 64 HE22 GLN 64 9.751 29.904 24.580
1036 H ASN 65 H ASN 65 14.209 29.762 25.682
1037 HA ASN 65 HA ASN 65 16.768 28.967 26.909
1038 HB2 ASN 65 HB2 ASN 65 16.197 31.226 24.961
1039 HB3 ASN 65 HB3 ASN 65 17.756 30.497 25.327
1040 HD21 ASN 65 HD21 ASN 65 17.540 27.820 25.015
1041 HD22 ASN 65 HD22 ASN 65 16.832 27.451 23.442
1042 H ARG 66 H ARG 66 14.313 30.747 28.111
1043 HA ARG 66 HA ARG 66 15.526 33.159 29.046
1044 HB2 ARG 66 HB2 ARG 66 13.576 33.405 30.443
1045 HB3 ARG 66 HB3 ARG 66 13.107 32.874 28.837
1046 HG2 ARG 66 HG2 ARG 66 12.841 30.528 29.737
1047 HG3 ARG 66 HG3 ARG 66 13.230 31.143 31.345
1048 HD2 ARG 66 HD2 ARG 66 10.852 30.941 31.153
1049 HD3 ARG 66 HD3 ARG 66 11.245 32.648 31.242
1050 HE ARG 66 HE ARG 66 10.392 31.120 28.790
1051 HH11 ARG 66 HH11 ARG 66 9.856 35.062 28.976
1052 HH12 ARG 66 HH12 ARG 66 10.712 34.296 30.289
1053 HH21 ARG 66 HH21 ARG 66 9.117 33.872 27.278
1054 HH22 ARG 66 HH22 ARG 66 9.385 32.130 27.229
Start of MODEL 16
1 H1 GLY -3 H1 GLY -3 3.966 -3.570 -5.291
2 H2 GLY -3 H2 GLY -3 4.123 -1.940 -5.364
3 H3 GLY -3 H3 GLY -3 4.821 -2.771 -4.146
4 HA2 GLY -3 HA2 GLY -3 6.306 -3.899 -5.672
5 HA3 GLY -3 HA3 GLY -3 5.563 -2.980 -6.986
6 HA PRO -2 HA PRO -2 9.190 -0.428 -5.731
7 HB2 PRO -2 HB2 PRO -2 9.658 0.756 -8.151
8 HB3 PRO -2 HB3 PRO -2 10.168 -0.925 -7.776
9 HG2 PRO -2 HG2 PRO -2 7.663 -0.014 -9.231
10 HG3 PRO -2 HG3 PRO -2 8.828 -1.277 -9.730
11 HD2 PRO -2 HD2 PRO -2 6.514 -1.895 -8.453
12 HD3 PRO -2 HD3 PRO -2 8.020 -2.798 -8.109
13 H GLY -1 H GLY -1 9.569 1.890 -5.660
14 HA2 GLY -1 HA2 GLY -1 7.626 3.872 -6.368
15 HA3 GLY -1 HA3 GLY -1 7.444 3.411 -4.666
16 H SER 0 H SER 0 7.994 5.923 -4.890
17 HA SER 0 HA SER 0 10.635 6.825 -5.259
18 HB2 SER 0 HB2 SER 0 8.538 7.959 -3.382
19 HB3 SER 0 HB3 SER 0 9.955 8.812 -4.001
20 HG SER 0 HG SER 0 9.097 8.646 -6.091
21 H MET 1 H MET 1 12.450 6.734 -4.139
22 HA MET 1 HA MET 1 12.549 5.318 -1.567
23 HB2 MET 1 HB2 MET 1 14.335 5.705 -3.846
24 HB3 MET 1 HB3 MET 1 15.162 6.154 -2.361
25 HG2 MET 1 HG2 MET 1 13.688 3.541 -2.819
26 HG3 MET 1 HG3 MET 1 15.425 3.751 -2.976
27 HE1 MET 1 HE1 MET 1 16.699 4.200 0.669
28 HE2 MET 1 HE2 MET 1 17.139 3.942 -1.034
29 HE3 MET 1 HE3 MET 1 16.400 5.482 -0.531
30 H CYS 2 H CYS 2 13.563 6.020 0.279
31 HA CYS 2 HA CYS 2 14.150 7.355 1.974
32 HB2 CYS 2 HB2 CYS 2 15.997 7.690 0.230
33 HB3 CYS 2 HB3 CYS 2 15.278 9.269 -0.074
34 HG CYS 2 HG CYS 2 17.434 9.449 1.435
35 H MET 3 H MET 3 14.278 9.914 2.581
36 HA MET 3 HA MET 3 13.159 11.659 3.432
37 HB2 MET 3 HB2 MET 3 11.689 11.586 0.793
38 HB3 MET 3 HB3 MET 3 11.679 12.941 1.906
39 HG2 MET 3 HG2 MET 3 13.971 13.402 1.613
40 HG3 MET 3 HG3 MET 3 14.296 11.851 0.841
41 HE1 MET 3 HE1 MET 3 13.112 12.069 -2.712
42 HE2 MET 3 HE2 MET 3 14.155 11.272 -1.521
43 HE3 MET 3 HE3 MET 3 12.384 11.237 -1.322
44 H ALA 4 H ALA 4 10.886 12.724 3.690
45 HA ALA 4 HA ALA 4 8.840 10.777 4.613
46 HB1 ALA 4 HB1 ALA 4 10.307 11.272 6.530
47 HB2 ALA 4 HB2 ALA 4 10.096 13.021 6.265
48 HB3 ALA 4 HB3 ALA 4 8.722 12.018 6.771
49 H LYS 5 H LYS 5 6.820 12.025 5.257
50 HA LYS 5 HA LYS 5 6.483 14.576 3.722
51 HB2 LYS 5 HB2 LYS 5 4.123 14.243 3.629
52 HB3 LYS 5 HB3 LYS 5 4.946 12.866 2.896
53 HG2 LYS 5 HG2 LYS 5 4.487 11.469 4.865
54 HG3 LYS 5 HG3 LYS 5 3.789 12.857 5.717
55 HD2 LYS 5 HD2 LYS 5 2.031 13.063 3.982
56 HD3 LYS 5 HD3 LYS 5 2.697 11.651 3.136
57 HE2 LYS 5 HE2 LYS 5 2.235 10.217 5.071
58 HE3 LYS 5 HE3 LYS 5 1.699 11.614 6.013
59 HZ1 LYS 5 HZ1 LYS 5 -0.185 10.404 5.058
60 HZ2 LYS 5 HZ2 LYS 5 -0.123 11.935 4.483
61 HZ3 LYS 5 HZ3 LYS 5 0.356 10.669 3.541
62 H VAL 6 H VAL 6 5.738 16.350 4.689
63 HA VAL 6 HA VAL 6 5.526 16.370 7.677
64 HB VAL 6 HB VAL 6 5.993 18.661 5.759
65 HG11 VAL 6 HG11 VAL 6 4.716 19.489 7.671
66 HG12 VAL 6 HG12 VAL 6 5.799 18.632 8.787
67 HG13 VAL 6 HG13 VAL 6 6.398 20.001 7.830
68 HG21 VAL 6 HG21 VAL 6 7.976 17.196 6.122
69 HG22 VAL 6 HG22 VAL 6 8.208 18.805 6.814
70 HG23 VAL 6 HG23 VAL 6 7.822 17.439 7.869
71 H VAL 7 H VAL 7 3.615 16.898 8.656
72 HA VAL 7 HA VAL 7 1.324 17.833 6.984
73 HB VAL 7 HB VAL 7 1.104 15.447 7.147
74 HG11 VAL 7 HG11 VAL 7 1.018 15.771 10.177
75 HG12 VAL 7 HG12 VAL 7 0.679 14.285 9.260
76 HG13 VAL 7 HG13 VAL 7 2.306 14.958 9.237
77 HG21 VAL 7 HG21 VAL 7 -0.970 16.736 8.981
78 HG22 VAL 7 HG22 VAL 7 -0.954 16.890 7.219
79 HG23 VAL 7 HG23 VAL 7 -1.147 15.300 7.961
80 H LEU 8 H LEU 8 -0.123 19.190 7.882
81 HA LEU 8 HA LEU 8 0.111 20.000 10.707
82 HB2 LEU 8 HB2 LEU 8 0.624 22.297 10.196
83 HB3 LEU 8 HB3 LEU 8 1.832 21.238 9.489
84 HG LEU 8 HG LEU 8 0.245 21.501 7.306
85 HD11 LEU 8 HD11 LEU 8 -0.096 24.143 8.804
86 HD12 LEU 8 HD12 LEU 8 -0.505 23.842 7.110
87 HD13 LEU 8 HD13 LEU 8 -1.405 23.019 8.378
88 HD21 LEU 8 HD21 LEU 8 2.298 23.551 8.232
89 HD22 LEU 8 HD22 LEU 8 2.641 22.015 7.403
90 HD23 LEU 8 HD23 LEU 8 1.755 23.295 6.561
91 H THR 9 H THR 9 -1.546 21.434 11.416
92 HA THR 9 HA THR 9 -4.080 21.266 9.828
93 HB THR 9 HB THR 9 -3.895 21.515 12.842
94 HG1 THR 9 HG1 THR 9 -3.054 19.548 12.236
95 HG21 THR 9 HG21 THR 9 -6.159 20.702 10.960
96 HG22 THR 9 HG22 THR 9 -6.229 20.665 12.734
97 HG23 THR 9 HG23 THR 9 -6.057 22.217 11.895
98 H LYS 10 H LYS 10 -5.141 23.066 9.346
99 HA LYS 10 HA LYS 10 -3.939 25.708 9.915
100 HB2 LYS 10 HB2 LYS 10 -6.358 24.886 8.220
101 HB3 LYS 10 HB3 LYS 10 -5.629 26.508 8.292
102 HG2 LYS 10 HG2 LYS 10 -3.458 25.490 7.476
103 HG3 LYS 10 HG3 LYS 10 -4.325 23.981 7.190
104 HD2 LYS 10 HD2 LYS 10 -4.984 26.698 5.948
105 HD3 LYS 10 HD3 LYS 10 -4.088 25.400 5.150
106 HE2 LYS 10 HE2 LYS 10 -6.063 23.922 5.263
107 HE3 LYS 10 HE3 LYS 10 -6.967 25.160 6.147
108 HZ1 LYS 10 HZ1 LYS 10 -5.926 25.467 3.384
109 HZ2 LYS 10 HZ2 LYS 10 -7.491 25.197 3.777
110 HZ3 LYS 10 HZ3 LYS 10 -6.781 26.597 4.209
111 H ALA 11 H ALA 11 -5.223 27.531 10.604
112 HA ALA 11 HA ALA 11 -6.898 27.118 12.895
113 HB1 ALA 11 HB1 ALA 11 -5.514 29.132 12.498
114 HB2 ALA 11 HB2 ALA 11 -6.521 29.564 11.105
115 HB3 ALA 11 HB3 ALA 11 -7.212 29.572 12.737
116 H ASP 12 H ASP 12 -7.655 27.202 9.498
117 HA ASP 12 HA ASP 12 -10.524 27.590 9.684
118 HB2 ASP 12 HB2 ASP 12 -8.836 26.265 7.523
119 HB3 ASP 12 HB3 ASP 12 -10.511 26.763 7.347
120 H GLY 13 H GLY 13 -8.631 24.964 10.721
121 HA2 GLY 13 HA2 GLY 13 -9.334 22.952 11.646
122 HA3 GLY 13 HA3 GLY 13 -10.926 23.133 10.904
123 H GLY 14 H GLY 14 -9.021 23.660 8.332
124 HA2 GLY 14 HA2 GLY 14 -9.075 20.907 7.285
125 HA3 GLY 14 HA3 GLY 14 -8.534 22.360 6.442
126 H ARG 15 H ARG 15 -7.089 20.150 6.068
127 HA ARG 15 HA ARG 15 -4.546 20.615 7.588
128 HB2 ARG 15 HB2 ARG 15 -5.853 17.960 6.900
129 HB3 ARG 15 HB3 ARG 15 -4.117 18.100 7.208
130 HG2 ARG 15 HG2 ARG 15 -4.562 19.132 9.395
131 HG3 ARG 15 HG3 ARG 15 -6.305 18.943 9.155
132 HD2 ARG 15 HD2 ARG 15 -6.138 16.554 9.214
133 HD3 ARG 15 HD3 ARG 15 -4.359 16.609 9.126
134 HE ARG 15 HE ARG 15 -4.890 18.100 11.360
135 HH11 ARG 15 HH11 ARG 15 -5.708 14.784 10.546
136 HH12 ARG 15 HH12 ARG 15 -5.699 14.293 12.216
137 HH21 ARG 15 HH21 ARG 15 -4.905 17.428 13.410
138 HH22 ARG 15 HH22 ARG 15 -5.254 15.763 13.815
139 H VAL 16 H VAL 16 -2.641 20.221 6.608
140 HA VAL 16 HA VAL 16 -2.567 20.209 3.622
141 HB VAL 16 HB VAL 16 -1.090 22.152 5.435
142 HG11 VAL 16 HG11 VAL 16 -0.941 21.829 2.416
143 HG12 VAL 16 HG12 VAL 16 -0.234 23.164 3.350
144 HG13 VAL 16 HG13 VAL 16 0.371 21.527 3.577
145 HG21 VAL 16 HG21 VAL 16 -2.329 23.888 4.159
146 HG22 VAL 16 HG22 VAL 16 -3.223 22.614 3.309
147 HG23 VAL 16 HG23 VAL 16 -3.425 22.843 5.066
148 H GLU 17 H GLU 17 -0.851 19.164 2.715
149 HA GLU 17 HA GLU 17 1.165 17.879 4.498
150 HB2 GLU 17 HB2 GLU 17 -0.397 16.585 2.234
151 HB3 GLU 17 HB3 GLU 17 1.032 15.875 3.014
152 HG2 GLU 17 HG2 GLU 17 -0.122 15.838 5.171
153 HG3 GLU 17 HG3 GLU 17 -1.571 16.553 4.453
154 H ILE 18 H ILE 18 3.201 17.744 3.738
155 HA ILE 18 HA ILE 18 3.850 18.666 0.971
156 HB ILE 18 HB ILE 18 5.385 19.434 3.494
157 HG12 ILE 18 HG12 ILE 18 4.739 21.816 2.386
158 HG13 ILE 18 HG13 ILE 18 3.335 20.914 1.836
159 HG21 ILE 18 HG21 ILE 18 6.860 19.088 1.549
160 HG22 ILE 18 HG22 ILE 18 5.843 20.156 0.565
161 HG23 ILE 18 HG23 ILE 18 6.747 20.802 1.948
162 HD11 ILE 18 HD11 ILE 18 2.900 20.335 4.290
163 HD12 ILE 18 HD12 ILE 18 4.299 21.343 4.701
164 HD13 ILE 18 HD13 ILE 18 2.872 22.065 3.935
165 H GLY 19 H GLY 19 4.352 16.795 0.054
166 HA2 GLY 19 HA2 GLY 19 5.716 14.606 1.441
167 HA3 GLY 19 HA3 GLY 19 5.206 14.638 -0.244
168 H ASP 20 H ASP 20 7.633 13.579 0.677
169 HA ASP 20 HA ASP 20 9.854 13.499 0.240
170 HB2 ASP 20 HB2 ASP 20 9.188 15.036 -2.263
171 HB3 ASP 20 HB3 ASP 20 10.515 13.908 -1.996
172 H VAL 21 H VAL 21 9.580 15.357 2.191
173 HA VAL 21 HA VAL 21 11.049 17.785 1.492
174 HB VAL 21 HB VAL 21 11.342 18.066 3.926
175 HG11 VAL 21 HG11 VAL 21 9.544 19.131 2.634
176 HG12 VAL 21 HG12 VAL 21 8.482 17.742 2.963
177 HG13 VAL 21 HG13 VAL 21 9.040 18.765 4.298
178 HG21 VAL 21 HG21 VAL 21 9.275 15.897 4.354
179 HG22 VAL 21 HG22 VAL 21 11.009 15.600 4.586
180 HG23 VAL 21 HG23 VAL 21 10.187 16.823 5.557
181 H LEU 22 H LEU 22 13.134 18.100 1.383
182 HA LEU 22 HA LEU 22 15.107 15.980 1.923
183 HB2 LEU 22 HB2 LEU 22 15.338 18.895 1.078
184 HB3 LEU 22 HB3 LEU 22 16.707 17.817 1.265
185 HG LEU 22 HG LEU 22 14.434 17.413 -0.732
186 HD11 LEU 22 HD11 LEU 22 16.077 18.096 -2.420
187 HD12 LEU 22 HD12 LEU 22 15.849 19.381 -1.233
188 HD13 LEU 22 HD13 LEU 22 17.300 18.363 -1.150
189 HD21 LEU 22 HD21 LEU 22 15.530 15.272 -0.107
190 HD22 LEU 22 HD22 LEU 22 15.922 15.736 -1.761
191 HD23 LEU 22 HD23 LEU 22 17.116 15.963 -0.471
192 H GLU 23 H GLU 23 13.829 18.906 3.429
193 HA GLU 23 HA GLU 23 15.031 18.242 6.005
194 HB2 GLU 23 HB2 GLU 23 16.825 19.493 4.762
195 HB3 GLU 23 HB3 GLU 23 15.717 20.851 4.588
196 HG2 GLU 23 HG2 GLU 23 15.639 21.089 7.069
197 HG3 GLU 23 HG3 GLU 23 16.742 19.708 7.228
198 H VAL 24 H VAL 24 14.057 19.238 7.734
199 HA VAL 24 HA VAL 24 12.099 21.402 7.345
200 HB VAL 24 HB VAL 24 10.706 19.470 7.315
201 HG11 VAL 24 HG11 VAL 24 11.917 18.585 9.949
202 HG12 VAL 24 HG12 VAL 24 10.514 17.876 9.139
203 HG13 VAL 24 HG13 VAL 24 12.088 17.788 8.360
204 HG21 VAL 24 HG21 VAL 24 10.462 20.636 10.124
205 HG22 VAL 24 HG22 VAL 24 9.916 21.467 8.667
206 HG23 VAL 24 HG23 VAL 24 9.177 19.930 9.131
207 H ARG 25 H ARG 25 12.083 22.909 8.973
208 HA ARG 25 HA ARG 25 13.723 22.402 11.421
209 HB2 ARG 25 HB2 ARG 25 14.068 25.103 10.177
210 HB3 ARG 25 HB3 ARG 25 15.140 24.152 11.185
211 HG2 ARG 25 HG2 ARG 25 16.310 24.226 9.229
212 HG3 ARG 25 HG3 ARG 25 15.480 22.680 9.022
213 HD2 ARG 25 HD2 ARG 25 13.729 23.841 7.664
214 HD3 ARG 25 HD3 ARG 25 14.605 25.367 7.863
215 HE ARG 25 HE ARG 25 16.512 23.694 6.789
216 HH11 ARG 25 HH11 ARG 25 13.336 24.743 5.711
217 HH12 ARG 25 HH12 ARG 25 13.749 24.439 4.026
218 HH21 ARG 25 HH21 ARG 25 16.852 23.211 4.619
219 HH22 ARG 25 HH22 ARG 25 15.622 23.702 3.450
220 H ALA 26 H ALA 26 13.015 23.366 13.228
221 HA ALA 26 HA ALA 26 10.701 25.258 13.107
222 HB1 ALA 26 HB1 ALA 26 10.242 23.189 14.344
223 HB2 ALA 26 HB2 ALA 26 11.654 23.477 15.387
224 HB3 ALA 26 HB3 ALA 26 10.261 24.598 15.426
225 H GLU 27 H GLU 27 11.221 27.339 13.406
226 HA GLU 27 HA GLU 27 13.162 28.235 15.382
227 HB2 GLU 27 HB2 GLU 27 14.768 29.279 13.983
228 HB3 GLU 27 HB3 GLU 27 14.657 27.611 13.511
229 HG2 GLU 27 HG2 GLU 27 14.714 28.558 11.451
230 HG3 GLU 27 HG3 GLU 27 12.977 28.435 11.670
231 H GLY 28 H GLY 28 13.124 30.493 15.749
232 HA2 GLY 28 HA2 GLY 28 12.107 32.538 16.016
233 HA3 GLY 28 HA3 GLY 28 11.786 32.447 14.278
234 H GLY 29 H GLY 29 10.259 30.123 16.453
235 HA2 GLY 29 HA2 GLY 29 8.056 29.841 17.118
236 HA3 GLY 29 HA3 GLY 29 7.711 31.531 16.730
237 H ALA 30 H ALA 30 9.113 29.422 14.280
238 HA ALA 30 HA ALA 30 6.519 28.847 12.966
239 HB1 ALA 30 HB1 ALA 30 8.867 30.293 11.636
240 HB2 ALA 30 HB2 ALA 30 7.336 29.825 10.864
241 HB3 ALA 30 HB3 ALA 30 7.354 31.069 12.134
242 H VAL 31 H VAL 31 6.817 27.369 11.106
243 HA VAL 31 HA VAL 31 9.321 25.720 11.230
244 HB VAL 31 HB VAL 31 6.509 24.760 10.653
245 HG11 VAL 31 HG11 VAL 31 9.159 23.296 10.237
246 HG12 VAL 31 HG12 VAL 31 7.588 22.494 10.337
247 HG13 VAL 31 HG13 VAL 31 7.902 23.612 9.019
248 HG21 VAL 31 HG21 VAL 31 8.624 23.828 12.649
249 HG22 VAL 31 HG22 VAL 31 7.292 24.914 13.038
250 HG23 VAL 31 HG23 VAL 31 6.941 23.256 12.525
251 H ARG 32 H ARG 32 10.359 25.197 9.395
252 HA ARG 32 HA ARG 32 9.305 26.207 6.775
253 HB2 ARG 32 HB2 ARG 32 12.169 26.562 7.767
254 HB3 ARG 32 HB3 ARG 32 11.534 26.998 6.159
255 HG2 ARG 32 HG2 ARG 32 9.976 28.628 7.262
256 HG3 ARG 32 HG3 ARG 32 10.670 28.205 8.827
257 HD2 ARG 32 HD2 ARG 32 11.674 30.215 8.195
258 HD3 ARG 32 HD3 ARG 32 12.914 28.966 7.994
259 HE ARG 32 HE ARG 32 11.886 29.125 5.456
260 HH11 ARG 32 HH11 ARG 32 12.994 31.670 7.585
261 HH12 ARG 32 HH12 ARG 32 13.460 32.698 6.256
262 HH21 ARG 32 HH21 ARG 32 12.535 30.401 3.838
263 HH22 ARG 32 HH22 ARG 32 13.180 32.002 4.158
264 H VAL 33 H VAL 33 9.780 25.021 4.994
265 HA VAL 33 HA VAL 33 11.207 22.404 5.338
266 HB VAL 33 HB VAL 33 9.426 21.273 4.091
267 HG11 VAL 33 HG11 VAL 33 7.737 21.130 5.844
268 HG12 VAL 33 HG12 VAL 33 9.363 21.158 6.522
269 HG13 VAL 33 HG13 VAL 33 8.347 22.617 6.594
270 HG21 VAL 33 HG21 VAL 33 7.180 22.282 3.844
271 HG22 VAL 33 HG22 VAL 33 7.830 23.836 4.378
272 HG23 VAL 33 HG23 VAL 33 8.390 23.104 2.854
273 H THR 34 H THR 34 12.090 21.501 3.474
274 HA THR 34 HA THR 34 11.825 23.027 0.924
275 HB THR 34 HB THR 34 14.492 21.986 1.936
276 HG1 THR 34 HG1 THR 34 13.631 24.671 1.661
277 HG21 THR 34 HG21 THR 34 13.717 23.777 -0.420
278 HG22 THR 34 HG22 THR 34 15.380 23.412 0.086
279 HG23 THR 34 HG23 THR 34 14.350 22.110 -0.520
280 H THR 35 H THR 35 11.472 21.740 -0.808
281 HA THR 35 HA THR 35 11.218 18.832 -0.288
282 HB THR 35 HB THR 35 9.675 18.743 -2.064
283 HG1 THR 35 HG1 THR 35 9.201 20.620 -3.296
284 HG21 THR 35 HG21 THR 35 7.910 20.234 -1.369
285 HG22 THR 35 HG22 THR 35 8.819 19.727 0.066
286 HG23 THR 35 HG23 THR 35 9.069 21.353 -0.618
287 H LEU 36 H LEU 36 11.497 17.325 -2.030
288 HA LEU 36 HA LEU 36 13.968 16.971 -3.158
289 HB2 LEU 36 HB2 LEU 36 12.126 15.340 -2.905
290 HB3 LEU 36 HB3 LEU 36 11.205 16.174 -4.154
291 HG LEU 36 HG LEU 36 12.948 15.525 -5.837
292 HD11 LEU 36 HD11 LEU 36 14.547 13.707 -5.160
293 HD12 LEU 36 HD12 LEU 36 14.902 15.264 -4.383
294 HD13 LEU 36 HD13 LEU 36 14.077 13.988 -3.466
295 HD21 LEU 36 HD21 LEU 36 12.315 13.154 -5.912
296 HD22 LEU 36 HD22 LEU 36 11.736 13.241 -4.229
297 HD23 LEU 36 HD23 LEU 36 10.926 14.177 -5.511
298 H PHE 37 H PHE 37 11.367 18.927 -4.513
299 HA PHE 37 HA PHE 37 12.705 19.281 -7.113
300 HB2 PHE 37 HB2 PHE 37 10.065 20.372 -6.092
301 HB3 PHE 37 HB3 PHE 37 10.615 20.339 -7.762
302 HD1 PHE 37 HD1 PHE 37 11.090 18.047 -8.854
303 HD2 PHE 37 HD2 PHE 37 8.857 18.510 -5.185
304 HE1 PHE 37 HE1 PHE 37 10.161 15.751 -9.117
305 HE2 PHE 37 HE2 PHE 37 7.944 16.219 -5.447
306 HZ PHE 37 HZ PHE 37 8.601 14.831 -7.410
307 H ASP 38 H ASP 38 13.494 20.591 -4.330
308 HA ASP 38 HA ASP 38 14.434 22.432 -3.548
309 HB2 ASP 38 HB2 ASP 38 14.769 23.445 -6.376
310 HB3 ASP 38 HB3 ASP 38 15.626 23.990 -4.944
311 H GLU 39 H GLU 39 11.441 22.418 -4.197
312 HA GLU 39 HA GLU 39 10.795 25.301 -4.030
313 HB2 GLU 39 HB2 GLU 39 9.054 22.814 -3.845
314 HB3 GLU 39 HB3 GLU 39 8.472 24.463 -3.595
315 HG2 GLU 39 HG2 GLU 39 9.187 25.093 -5.858
316 HG3 GLU 39 HG3 GLU 39 9.847 23.479 -6.113
317 H GLU 40 H GLU 40 9.729 26.200 -2.190
318 HA GLU 40 HA GLU 40 10.480 25.002 0.435
319 HB2 GLU 40 HB2 GLU 40 12.322 26.499 -0.552
320 HB3 GLU 40 HB3 GLU 40 11.183 27.834 -0.380
321 HG2 GLU 40 HG2 GLU 40 11.114 26.802 2.163
322 HG3 GLU 40 HG3 GLU 40 12.724 26.305 1.687
323 H HIS 41 H HIS 41 9.205 25.568 2.149
324 HA HIS 41 HA HIS 41 7.058 27.607 1.809
325 HB2 HIS 41 HB2 HIS 41 6.461 24.837 2.876
326 HB3 HIS 41 HB3 HIS 41 5.343 26.163 2.630
327 HD2 HIS 41 HD2 HIS 41 7.110 23.306 0.800
328 HE1 HIS 41 HE1 HIS 41 4.356 24.997 -1.979
329 HE2 HIS 41 HE2 HIS 41 5.969 23.074 -1.561
330 H ALA 42 H ALA 42 6.126 28.336 3.793
331 HA ALA 42 HA ALA 42 7.577 27.711 6.289
332 HB1 ALA 42 HB1 ALA 42 7.966 30.105 6.735
333 HB2 ALA 42 HB2 ALA 42 8.806 29.579 5.256
334 HB3 ALA 42 HB3 ALA 42 7.301 30.520 5.142
335 H PHE 43 H PHE 43 6.439 27.964 8.124
336 HA PHE 43 HA PHE 43 3.545 28.672 7.955
337 HB2 PHE 43 HB2 PHE 43 4.692 26.151 9.187
338 HB3 PHE 43 HB3 PHE 43 2.997 26.584 8.993
339 HD1 PHE 43 HD1 PHE 43 5.717 24.764 7.630
340 HD2 PHE 43 HD2 PHE 43 2.205 26.972 6.468
341 HE1 PHE 43 HE1 PHE 43 5.716 23.603 5.440
342 HE2 PHE 43 HE2 PHE 43 2.220 25.832 4.262
343 HZ PHE 43 HZ PHE 43 3.983 24.155 3.737
344 HA PRO 44 HA PRO 44 5.206 30.697 11.739
345 HB2 PRO 44 HB2 PRO 44 2.768 32.361 11.207
346 HB3 PRO 44 HB3 PRO 44 4.390 32.892 11.738
347 HG2 PRO 44 HG2 PRO 44 3.649 33.211 9.161
348 HG3 PRO 44 HG3 PRO 44 5.295 32.577 9.532
349 HD2 PRO 44 HD2 PRO 44 2.807 31.006 8.775
350 HD3 PRO 44 HD3 PRO 44 4.464 30.878 8.112
351 H GLY 45 H GLY 45 4.600 30.488 13.857
352 HA2 GLY 45 HA2 GLY 45 3.231 30.148 15.707
353 HA3 GLY 45 HA3 GLY 45 1.844 29.821 14.665
354 H LEU 46 H LEU 46 4.376 27.907 13.556
355 HA LEU 46 HA LEU 46 3.429 25.566 15.125
356 HB2 LEU 46 HB2 LEU 46 4.656 25.636 12.354
357 HB3 LEU 46 HB3 LEU 46 4.125 24.196 13.216
358 HG LEU 46 HG LEU 46 2.338 26.435 12.177
359 HD11 LEU 46 HD11 LEU 46 2.474 23.485 11.456
360 HD12 LEU 46 HD12 LEU 46 1.473 24.734 10.690
361 HD13 LEU 46 HD13 LEU 46 3.239 24.779 10.526
362 HD21 LEU 46 HD21 LEU 46 1.322 25.621 14.245
363 HD22 LEU 46 HD22 LEU 46 0.445 24.978 12.864
364 HD23 LEU 46 HD23 LEU 46 1.569 23.928 13.746
365 H ALA 47 H ALA 47 4.809 23.856 15.534
366 HA ALA 47 HA ALA 47 7.731 24.110 15.256
367 HB1 ALA 47 HB1 ALA 47 8.121 23.374 17.578
368 HB2 ALA 47 HB2 ALA 47 7.289 24.944 17.547
369 HB3 ALA 47 HB3 ALA 47 6.375 23.467 17.911
370 H ILE 48 H ILE 48 8.771 21.900 15.507
371 HA ILE 48 HA ILE 48 7.123 19.818 14.248
372 HB ILE 48 HB ILE 48 9.962 19.697 15.308
373 HG12 ILE 48 HG12 ILE 48 9.228 19.763 12.362
374 HG13 ILE 48 HG13 ILE 48 9.377 21.272 13.257
375 HG21 ILE 48 HG21 ILE 48 9.012 17.442 15.189
376 HG22 ILE 48 HG22 ILE 48 8.368 17.759 13.563
377 HG23 ILE 48 HG23 ILE 48 10.114 17.649 13.818
378 HD11 ILE 48 HD11 ILE 48 11.574 19.188 12.925
379 HD12 ILE 48 HD12 ILE 48 11.497 20.800 12.195
380 HD13 ILE 48 HD13 ILE 48 11.694 20.645 13.940
381 H GLY 49 H GLY 49 5.861 18.406 15.281
382 HA2 GLY 49 HA2 GLY 49 5.971 18.248 18.263
383 HA3 GLY 49 HA3 GLY 49 4.607 17.859 17.213
384 H ARG 50 H ARG 50 5.951 16.112 15.381
385 HA ARG 50 HA ARG 50 6.848 13.788 17.014
386 HB2 ARG 50 HB2 ARG 50 4.349 13.918 17.125
387 HB3 ARG 50 HB3 ARG 50 4.293 13.827 15.371
388 HG2 ARG 50 HG2 ARG 50 5.225 11.557 15.398
389 HG3 ARG 50 HG3 ARG 50 5.402 11.646 17.154
390 HD2 ARG 50 HD2 ARG 50 2.893 12.076 17.294
391 HD3 ARG 50 HD3 ARG 50 2.822 11.783 15.543
392 HE ARG 50 HE ARG 50 4.102 9.605 17.032
393 HH11 ARG 50 HH11 ARG 50 0.897 10.757 16.129
394 HH12 ARG 50 HH12 ARG 50 0.206 9.179 16.386
395 HH21 ARG 50 HH21 ARG 50 3.232 7.779 17.320
396 HH22 ARG 50 HH22 ARG 50 1.514 7.471 17.029
397 H VAL 51 H VAL 51 7.927 12.260 15.912
398 HA VAL 51 HA VAL 51 8.084 12.352 12.927
399 HB VAL 51 HB VAL 51 10.489 12.112 14.776
400 HG11 VAL 51 HG11 VAL 51 10.247 12.101 11.741
401 HG12 VAL 51 HG12 VAL 51 11.774 12.287 12.605
402 HG13 VAL 51 HG13 VAL 51 10.842 10.798 12.774
403 HG21 VAL 51 HG21 VAL 51 9.729 14.449 14.712
404 HG22 VAL 51 HG22 VAL 51 11.243 14.251 13.839
405 HG23 VAL 51 HG23 VAL 51 9.717 14.405 12.934
406 H ASP 52 H ASP 52 7.481 10.407 12.205
407 HA ASP 52 HA ASP 52 8.052 7.954 13.848
408 HB2 ASP 52 HB2 ASP 52 5.674 8.637 13.852
409 HB3 ASP 52 HB3 ASP 52 5.624 8.451 12.093
410 H LEU 53 H LEU 53 9.626 6.879 12.957
411 HA LEU 53 HA LEU 53 10.339 7.195 10.134
412 HB2 LEU 53 HB2 LEU 53 11.664 5.614 12.388
413 HB3 LEU 53 HB3 LEU 53 12.330 5.894 10.793
414 HG LEU 53 HG LEU 53 13.468 7.339 12.161
415 HD11 LEU 53 HD11 LEU 53 12.944 9.594 11.399
416 HD12 LEU 53 HD12 LEU 53 12.698 8.425 10.086
417 HD13 LEU 53 HD13 LEU 53 11.309 9.110 10.967
418 HD21 LEU 53 HD21 LEU 53 10.957 8.504 13.390
419 HD22 LEU 53 HD22 LEU 53 12.036 7.309 14.153
420 HD23 LEU 53 HD23 LEU 53 12.629 8.920 13.758
421 H ARG 54 H ARG 54 8.420 4.970 11.879
422 HA ARG 54 HA ARG 54 8.809 2.621 10.144
423 HB2 ARG 54 HB2 ARG 54 6.461 3.358 11.935
424 HB3 ARG 54 HB3 ARG 54 6.809 1.777 11.282
425 HG2 ARG 54 HG2 ARG 54 8.654 1.413 12.707
426 HG3 ARG 54 HG3 ARG 54 8.809 3.110 13.161
427 HD2 ARG 54 HD2 ARG 54 6.443 1.350 13.902
428 HD3 ARG 54 HD3 ARG 54 7.820 1.725 14.949
429 HE ARG 54 HE ARG 54 6.383 4.062 13.835
430 HH11 ARG 54 HH11 ARG 54 5.197 5.340 15.136
431 HH12 ARG 54 HH12 ARG 54 5.378 5.178 16.886
432 HH21 ARG 54 HH21 ARG 54 6.981 2.167 16.757
433 HH22 ARG 54 HH22 ARG 54 6.184 3.379 17.746
434 H SER 55 H SER 55 6.544 5.308 10.390
435 HA SER 55 HA SER 55 5.063 4.536 7.963
436 HB2 SER 55 HB2 SER 55 3.984 5.383 10.086
437 HB3 SER 55 HB3 SER 55 4.731 6.958 9.781
438 HG SER 55 HG SER 55 2.774 5.576 8.235
439 H GLY 56 H GLY 56 7.462 6.979 8.904
440 HA2 GLY 56 HA2 GLY 56 8.806 8.302 7.535
441 HA3 GLY 56 HA3 GLY 56 7.886 7.832 6.106
442 H VAL 57 H VAL 57 6.840 9.274 9.235
443 HA VAL 57 HA VAL 57 5.656 11.593 7.750
444 HB VAL 57 HB VAL 57 4.269 9.877 9.842
445 HG11 VAL 57 HG11 VAL 57 2.272 11.298 9.326
446 HG12 VAL 57 HG12 VAL 57 3.553 12.180 10.158
447 HG13 VAL 57 HG13 VAL 57 3.323 12.402 8.409
448 HG21 VAL 57 HG21 VAL 57 2.660 9.430 7.996
449 HG22 VAL 57 HG22 VAL 57 3.726 10.317 6.877
450 HG23 VAL 57 HG23 VAL 57 4.271 8.812 7.636
451 H ILE 58 H ILE 58 5.725 13.500 8.658
452 HA ILE 58 HA ILE 58 6.802 13.876 11.427
453 HB ILE 58 HB ILE 58 7.349 15.399 8.847
454 HG12 ILE 58 HG12 ILE 58 9.200 13.912 10.753
455 HG13 ILE 58 HG13 ILE 58 8.677 13.323 9.183
456 HG21 ILE 58 HG21 ILE 58 8.734 16.951 10.232
457 HG22 ILE 58 HG22 ILE 58 7.036 17.052 10.620
458 HG23 ILE 58 HG23 ILE 58 8.124 16.142 11.695
459 HD11 ILE 58 HD11 ILE 58 10.874 14.130 8.874
460 HD12 ILE 58 HD12 ILE 58 9.804 15.333 8.123
461 HD13 ILE 58 HD13 ILE 58 10.531 15.646 9.723
462 H SER 59 H SER 59 5.267 14.760 12.712
463 HA SER 59 HA SER 59 3.029 16.307 11.473
464 HB2 SER 59 HB2 SER 59 3.073 15.177 14.276
465 HB3 SER 59 HB3 SER 59 1.699 15.842 13.385
466 HG SER 59 HG SER 59 1.738 14.064 12.020
467 H LEU 60 H LEU 60 2.859 18.414 11.799
468 HA LEU 60 HA LEU 60 4.592 19.783 13.780
469 HB2 LEU 60 HB2 LEU 60 2.741 20.996 11.724
470 HB3 LEU 60 HB3 LEU 60 3.984 21.812 12.667
471 HG LEU 60 HG LEU 60 4.377 19.825 10.395
472 HD11 LEU 60 HD11 LEU 60 5.508 21.753 9.337
473 HD12 LEU 60 HD12 LEU 60 3.853 22.170 9.773
474 HD13 LEU 60 HD13 LEU 60 5.191 22.732 10.780
475 HD21 LEU 60 HD21 LEU 60 6.832 20.206 10.682
476 HD22 LEU 60 HD22 LEU 60 6.496 21.048 12.209
477 HD23 LEU 60 HD23 LEU 60 6.129 19.320 12.025
478 H ILE 61 H ILE 61 3.807 21.235 15.287
479 HA ILE 61 HA ILE 61 0.932 21.129 16.048
480 HB ILE 61 HB ILE 61 1.549 20.862 18.424
481 HG12 ILE 61 HG12 ILE 61 3.777 19.618 18.855
482 HG13 ILE 61 HG13 ILE 61 4.377 20.381 17.382
483 HG21 ILE 61 HG21 ILE 61 1.802 18.468 18.359
484 HG22 ILE 61 HG22 ILE 61 0.743 18.995 17.044
485 HG23 ILE 61 HG23 ILE 61 2.415 18.524 16.694
486 HD11 ILE 61 HD11 ILE 61 5.022 21.544 19.467
487 HD12 ILE 61 HD12 ILE 61 4.073 22.596 18.410
488 HD13 ILE 61 HD13 ILE 61 3.311 21.855 19.831
489 H GLU 62 H GLU 62 0.317 22.832 17.589
490 HA GLU 62 HA GLU 62 1.288 25.442 16.818
491 HB2 GLU 62 HB2 GLU 62 -0.599 24.363 18.925
492 HB3 GLU 62 HB3 GLU 62 -0.141 26.048 18.956
493 HG2 GLU 62 HG2 GLU 62 -1.292 24.722 16.459
494 HG3 GLU 62 HG3 GLU 62 -2.302 25.412 17.726
495 H GLU 63 H GLU 63 2.985 26.566 17.542
496 HA GLU 63 HA GLU 63 4.699 25.584 19.651
497 HB2 GLU 63 HB2 GLU 63 6.100 27.432 19.154
498 HB3 GLU 63 HB3 GLU 63 5.458 26.803 17.659
499 HG2 GLU 63 HG2 GLU 63 5.083 28.938 17.122
500 HG3 GLU 63 HG3 GLU 63 3.625 28.778 18.072
501 H GLN 64 H GLN 64 1.840 27.366 19.799
502 HA GLN 64 HA GLN 64 2.334 28.253 22.590
503 HB2 GLN 64 HB2 GLN 64 0.192 29.152 20.638
504 HB3 GLN 64 HB3 GLN 64 0.502 29.846 22.245
505 HG2 GLN 64 HG2 GLN 64 2.812 30.487 21.445
506 HG3 GLN 64 HG3 GLN 64 2.349 29.930 19.835
507 HE21 GLN 64 HE21 GLN 64 3.073 32.151 19.342
508 HE22 GLN 64 HE22 GLN 64 1.850 33.435 19.416
509 H ASN 65 H ASN 65 1.415 25.675 21.322
510 HA ASN 65 HA ASN 65 -0.011 23.919 21.595
511 HB2 ASN 65 HB2 ASN 65 0.188 24.918 24.443
512 HB3 ASN 65 HB3 ASN 65 -0.199 23.261 23.953
513 HD21 ASN 65 HD21 ASN 65 1.553 22.273 22.358
514 HD22 ASN 65 HD22 ASN 65 3.205 22.604 22.852
515 H ARG 66 H ARG 66 -1.483 26.195 20.752
516 HA ARG 66 HA ARG 66 -4.018 26.481 22.135
517 HB2 ARG 66 HB2 ARG 66 -3.100 27.241 19.328
518 HB3 ARG 66 HB3 ARG 66 -4.677 27.660 20.015
519 HG2 ARG 66 HG2 ARG 66 -3.595 28.878 21.870
520 HG3 ARG 66 HG3 ARG 66 -2.006 28.492 21.222
521 HD2 ARG 66 HD2 ARG 66 -4.120 30.118 19.749
522 HD3 ARG 66 HD3 ARG 66 -2.797 30.791 20.713
523 HE ARG 66 HE ARG 66 -1.844 28.983 18.629
524 HH11 ARG 66 HH11 ARG 66 -2.766 32.323 19.135
525 HH12 ARG 66 HH12 ARG 66 -1.860 32.852 17.737
526 HH21 ARG 66 HH21 ARG 66 -0.793 29.645 16.997
527 HH22 ARG 66 HH22 ARG 66 -0.719 31.347 16.530
528 H1 GLY -3 H1 GLY -3 14.479 -3.118 -2.996
529 H2 GLY -3 H2 GLY -3 13.268 -3.547 -4.007
530 H3 GLY -3 H3 GLY -3 14.340 -4.674 -3.496
531 HA2 GLY -3 HA2 GLY -3 12.266 -4.942 -2.334
532 HA3 GLY -3 HA3 GLY -3 13.567 -4.471 -1.218
533 HA PRO -2 HA PRO -2 9.906 -1.694 -0.502
534 HB2 PRO -2 HB2 PRO -2 11.019 -2.023 2.280
535 HB3 PRO -2 HB3 PRO -2 9.308 -1.947 1.761
536 HG2 PRO -2 HG2 PRO -2 10.419 -4.333 2.355
537 HG3 PRO -2 HG3 PRO -2 9.410 -4.177 0.870
538 HD2 PRO -2 HD2 PRO -2 12.439 -4.104 1.103
539 HD3 PRO -2 HD3 PRO -2 11.409 -5.030 -0.032
540 H GLY -1 H GLY -1 9.866 0.530 -0.135
541 HA2 GLY -1 HA2 GLY -1 12.359 2.003 -0.365
542 HA3 GLY -1 HA3 GLY -1 10.747 2.696 -0.211
543 H SER 0 H SER 0 13.193 3.556 1.024
544 HA SER 0 HA SER 0 14.073 4.326 2.975
545 HB2 SER 0 HB2 SER 0 11.171 4.360 3.839
546 HB3 SER 0 HB3 SER 0 12.501 5.281 4.572
547 HG SER 0 HG SER 0 11.259 6.454 2.988
548 H MET 1 H MET 1 14.672 1.789 2.893
549 HA MET 1 HA MET 1 13.649 0.164 5.000
550 HB2 MET 1 HB2 MET 1 15.100 -1.509 4.191
551 HB3 MET 1 HB3 MET 1 14.540 -0.630 2.783
552 HG2 MET 1 HG2 MET 1 17.244 -0.268 4.146
553 HG3 MET 1 HG3 MET 1 16.957 -1.224 2.709
554 HE1 MET 1 HE1 MET 1 16.600 -0.391 0.341
555 HE2 MET 1 HE2 MET 1 15.151 0.540 0.763
556 HE3 MET 1 HE3 MET 1 16.461 1.311 -0.142
557 H CYS 2 H CYS 2 15.498 2.726 5.567
558 HA CYS 2 HA CYS 2 16.987 1.514 7.873
559 HB2 CYS 2 HB2 CYS 2 17.827 3.667 5.908
560 HB3 CYS 2 HB3 CYS 2 18.692 3.329 7.412
561 HG CYS 2 HG CYS 2 19.295 0.860 6.913
562 H MET 3 H MET 3 16.862 2.502 9.791
563 HA MET 3 HA MET 3 14.878 4.593 10.261
564 HB2 MET 3 HB2 MET 3 16.700 2.889 11.984
565 HB3 MET 3 HB3 MET 3 15.867 4.279 12.669
566 HG2 MET 3 HG2 MET 3 14.477 2.465 13.133
567 HG3 MET 3 HG3 MET 3 13.689 3.361 11.846
568 HE1 MET 3 HE1 MET 3 16.588 0.570 11.932
569 HE2 MET 3 HE2 MET 3 15.306 0.074 13.070
570 HE3 MET 3 HE3 MET 3 15.596 -0.859 11.588
571 H ALA 4 H ALA 4 15.286 6.486 11.547
572 HA ALA 4 HA ALA 4 17.570 8.093 10.704
573 HB1 ALA 4 HB1 ALA 4 16.360 9.863 11.936
574 HB2 ALA 4 HB2 ALA 4 15.259 8.971 10.883
575 HB3 ALA 4 HB3 ALA 4 15.287 8.658 12.646
576 H LYS 5 H LYS 5 18.462 9.554 12.568
577 HA LYS 5 HA LYS 5 18.911 8.135 15.144
578 HB2 LYS 5 HB2 LYS 5 21.229 8.861 15.238
579 HB3 LYS 5 HB3 LYS 5 20.960 7.757 13.886
580 HG2 LYS 5 HG2 LYS 5 20.973 9.618 12.282
581 HG3 LYS 5 HG3 LYS 5 21.126 10.803 13.586
582 HD2 LYS 5 HD2 LYS 5 23.197 8.623 13.047
583 HD3 LYS 5 HD3 LYS 5 23.268 10.248 12.344
584 HE2 LYS 5 HE2 LYS 5 23.328 11.266 14.573
585 HE3 LYS 5 HE3 LYS 5 23.174 9.685 15.330
586 HZ1 LYS 5 HZ1 LYS 5 25.481 10.354 15.305
587 HZ2 LYS 5 HZ2 LYS 5 25.317 9.074 14.313
588 HZ3 LYS 5 HZ3 LYS 5 25.471 10.570 13.676
589 H VAL 6 H VAL 6 19.199 9.501 16.940
590 HA VAL 6 HA VAL 6 18.259 12.325 16.567
591 HB VAL 6 HB VAL 6 18.075 10.767 19.151
592 HG11 VAL 6 HG11 VAL 6 16.345 12.472 19.692
593 HG12 VAL 6 HG12 VAL 6 17.945 13.175 19.470
594 HG13 VAL 6 HG13 VAL 6 16.728 13.314 18.187
595 HG21 VAL 6 HG21 VAL 6 15.645 10.512 18.669
596 HG22 VAL 6 HG22 VAL 6 15.957 11.058 16.999
597 HG23 VAL 6 HG23 VAL 6 16.676 9.550 17.613
598 H VAL 7 H VAL 7 19.424 14.018 17.492
599 HA VAL 7 HA VAL 7 21.677 13.391 19.308
600 HB VAL 7 HB VAL 7 22.702 13.488 17.118
601 HG11 VAL 7 HG11 VAL 7 21.132 14.969 15.915
602 HG12 VAL 7 HG12 VAL 7 21.668 16.358 16.884
603 HG13 VAL 7 HG13 VAL 7 22.797 15.546 15.785
604 HG21 VAL 7 HG21 VAL 7 24.452 15.049 17.557
605 HG22 VAL 7 HG22 VAL 7 23.431 16.046 18.605
606 HG23 VAL 7 HG23 VAL 7 23.915 14.425 19.123
607 H LEU 8 H LEU 8 22.185 14.890 20.794
608 HA LEU 8 HA LEU 8 21.003 17.568 20.862
609 HB2 LEU 8 HB2 LEU 8 19.799 17.244 22.968
610 HB3 LEU 8 HB3 LEU 8 19.204 16.144 21.749
611 HG LEU 8 HG LEU 8 21.129 14.560 22.967
612 HD11 LEU 8 HD11 LEU 8 19.875 16.268 25.161
613 HD12 LEU 8 HD12 LEU 8 20.788 14.765 25.405
614 HD13 LEU 8 HD13 LEU 8 21.601 16.190 24.764
615 HD21 LEU 8 HD21 LEU 8 18.246 14.812 23.858
616 HD22 LEU 8 HD22 LEU 8 18.817 13.918 22.432
617 HD23 LEU 8 HD23 LEU 8 19.324 13.405 24.046
618 H THR 9 H THR 9 21.733 18.811 22.756
619 HA THR 9 HA THR 9 24.295 17.840 23.982
620 HB THR 9 HB THR 9 23.640 20.751 23.457
621 HG1 THR 9 HG1 THR 9 23.993 19.692 21.506
622 HG21 THR 9 HG21 THR 9 26.081 21.011 23.904
623 HG22 THR 9 HG22 THR 9 25.230 20.386 25.314
624 HG23 THR 9 HG23 THR 9 26.193 19.287 24.292
625 H LYS 10 H LYS 10 24.278 17.703 26.157
626 HA LYS 10 HA LYS 10 21.878 18.349 27.702
627 HB2 LYS 10 HB2 LYS 10 24.634 17.319 28.489
628 HB3 LYS 10 HB3 LYS 10 23.272 17.465 29.600
629 HG2 LYS 10 HG2 LYS 10 21.951 15.914 28.097
630 HG3 LYS 10 HG3 LYS 10 23.434 15.612 27.186
631 HD2 LYS 10 HD2 LYS 10 23.101 15.185 30.190
632 HD3 LYS 10 HD3 LYS 10 22.926 13.906 28.985
633 HE2 LYS 10 HE2 LYS 10 25.216 13.948 28.390
634 HE3 LYS 10 HE3 LYS 10 25.487 15.527 29.141
635 HZ1 LYS 10 HZ1 LYS 10 24.834 13.087 30.689
636 HZ2 LYS 10 HZ2 LYS 10 26.342 13.679 30.504
637 HZ3 LYS 10 HZ3 LYS 10 25.220 14.566 31.301
638 H ALA 11 H ALA 11 21.923 19.534 29.730
639 HA ALA 11 HA ALA 11 23.129 22.155 29.738
640 HB1 ALA 11 HB1 ALA 11 21.986 20.449 31.998
641 HB2 ALA 11 HB2 ALA 11 22.331 22.189 32.088
642 HB3 ALA 11 HB3 ALA 11 21.080 21.594 30.979
643 H ASP 12 H ASP 12 24.367 19.010 30.706
644 HA ASP 12 HA ASP 12 26.654 19.864 32.259
645 HB2 ASP 12 HB2 ASP 12 26.273 17.384 30.533
646 HB3 ASP 12 HB3 ASP 12 27.501 17.602 31.778
647 H GLY 13 H GLY 13 25.984 20.329 28.930
648 HA2 GLY 13 HA2 GLY 13 27.275 21.220 27.238
649 HA3 GLY 13 HA3 GLY 13 28.733 21.044 28.217
650 H GLY 14 H GLY 14 27.512 18.034 28.449
651 HA2 GLY 14 HA2 GLY 14 29.158 16.901 26.290
652 HA3 GLY 14 HA3 GLY 14 28.288 16.015 27.547
653 H ARG 15 H ARG 15 28.428 15.754 24.527
654 HA ARG 15 HA ARG 15 25.606 16.142 23.696
655 HB2 ARG 15 HB2 ARG 15 28.047 15.143 22.181
656 HB3 ARG 15 HB3 ARG 15 26.404 15.256 21.507
657 HG2 ARG 15 HG2 ARG 15 26.362 17.682 22.071
658 HG3 ARG 15 HG3 ARG 15 28.057 17.601 22.561
659 HD2 ARG 15 HD2 ARG 15 26.930 16.965 19.799
660 HD3 ARG 15 HD3 ARG 15 27.739 18.463 20.247
661 HE ARG 15 HE ARG 15 28.963 15.853 19.669
662 HH11 ARG 15 HH11 ARG 15 29.605 18.971 21.144
663 HH12 ARG 15 HH12 ARG 15 31.336 18.775 20.990
664 HH21 ARG 15 HH21 ARG 15 31.156 15.677 19.528
665 HH22 ARG 15 HH22 ARG 15 32.178 16.976 20.075
666 H VAL 16 H VAL 16 24.283 14.541 22.943
667 HA VAL 16 HA VAL 16 24.864 11.713 23.692
668 HB VAL 16 HB VAL 16 22.352 13.264 24.399
669 HG11 VAL 16 HG11 VAL 16 21.530 11.158 25.419
670 HG12 VAL 16 HG12 VAL 16 21.663 11.034 23.667
671 HG13 VAL 16 HG13 VAL 16 22.902 10.284 24.701
672 HG21 VAL 16 HG21 VAL 16 24.177 13.585 26.025
673 HG22 VAL 16 HG22 VAL 16 22.875 12.618 26.718
674 HG23 VAL 16 HG23 VAL 16 24.364 11.821 26.169
675 H GLU 17 H GLU 17 24.134 10.231 22.278
676 HA GLU 17 HA GLU 17 22.516 11.088 19.930
677 HB2 GLU 17 HB2 GLU 17 25.110 9.506 19.803
678 HB3 GLU 17 HB3 GLU 17 24.003 9.770 18.458
679 HG2 GLU 17 HG2 GLU 17 24.368 12.212 18.619
680 HG3 GLU 17 HG3 GLU 17 25.490 11.981 19.959
681 H ILE 18 H ILE 18 21.155 9.570 19.086
682 HA ILE 18 HA ILE 18 21.077 6.814 20.276
683 HB ILE 18 HB ILE 18 18.765 8.720 19.883
684 HG12 ILE 18 HG12 ILE 18 19.424 7.253 22.455
685 HG13 ILE 18 HG13 ILE 18 20.250 8.761 22.069
686 HG21 ILE 18 HG21 ILE 18 18.015 6.514 19.158
687 HG22 ILE 18 HG22 ILE 18 18.725 5.759 20.600
688 HG23 ILE 18 HG23 ILE 18 17.315 6.832 20.736
689 HD11 ILE 18 HD11 ILE 18 18.162 9.981 21.909
690 HD12 ILE 18 HD12 ILE 18 17.235 8.500 22.272
691 HD13 ILE 18 HD13 ILE 18 18.324 9.169 23.481
692 H GLY 19 H GLY 19 21.480 5.447 18.656
693 HA2 GLY 19 HA2 GLY 19 20.866 6.105 15.846
694 HA3 GLY 19 HA3 GLY 19 21.728 4.696 16.439
695 H ASP 20 H ASP 20 19.741 4.713 14.444
696 HA ASP 20 HA ASP 20 17.983 3.565 13.696
697 HB2 ASP 20 HB2 ASP 20 18.847 1.600 15.808
698 HB3 ASP 20 HB3 ASP 20 17.859 1.226 14.393
699 H VAL 21 H VAL 21 16.939 5.530 15.120
700 HA VAL 21 HA VAL 21 15.043 4.629 17.130
701 HB VAL 21 HB VAL 21 16.110 6.812 17.266
702 HG11 VAL 21 HG11 VAL 21 16.208 7.583 14.979
703 HG12 VAL 21 HG12 VAL 21 14.434 7.599 14.851
704 HG13 VAL 21 HG13 VAL 21 15.270 8.727 15.928
705 HG21 VAL 21 HG21 VAL 21 13.914 6.364 18.355
706 HG22 VAL 21 HG22 VAL 21 14.246 8.059 18.000
707 HG23 VAL 21 HG23 VAL 21 13.115 7.152 16.973
708 H LEU 22 H LEU 22 12.858 4.290 17.018
709 HA LEU 22 HA LEU 22 11.626 4.002 14.311
710 HB2 LEU 22 HB2 LEU 22 10.706 3.138 17.080
711 HB3 LEU 22 HB3 LEU 22 9.802 2.897 15.598
712 HG LEU 22 HG LEU 22 12.494 1.628 16.274
713 HD11 LEU 22 HD11 LEU 22 11.098 -0.460 16.272
714 HD12 LEU 22 HD12 LEU 22 10.628 0.689 17.547
715 HD13 LEU 22 HD13 LEU 22 9.653 0.526 16.062
716 HD21 LEU 22 HD21 LEU 22 12.155 0.264 14.251
717 HD22 LEU 22 HD22 LEU 22 10.711 1.222 13.837
718 HD23 LEU 22 HD23 LEU 22 12.318 1.968 13.838
719 H GLU 23 H GLU 23 11.186 5.809 17.352
720 HA GLU 23 HA GLU 23 9.490 7.758 15.939
721 HB2 GLU 23 HB2 GLU 23 7.898 6.058 16.636
722 HB3 GLU 23 HB3 GLU 23 8.484 6.136 18.306
723 HG2 GLU 23 HG2 GLU 23 7.673 8.430 18.537
724 HG3 GLU 23 HG3 GLU 23 7.302 8.511 16.813
725 H VAL 24 H VAL 24 9.444 9.775 16.823
726 HA VAL 24 HA VAL 24 10.602 10.264 19.507
727 HB VAL 24 HB VAL 24 11.269 12.035 17.159
728 HG11 VAL 24 HG11 VAL 24 11.401 13.144 19.339
729 HG12 VAL 24 HG12 VAL 24 12.462 11.859 19.950
730 HG13 VAL 24 HG13 VAL 24 13.009 12.932 18.651
731 HG21 VAL 24 HG21 VAL 24 13.574 11.173 17.211
732 HG22 VAL 24 HG22 VAL 24 13.016 9.853 18.261
733 HG23 VAL 24 HG23 VAL 24 12.393 9.997 16.608
734 H ARG 25 H ARG 25 9.534 11.826 20.647
735 HA ARG 25 HA ARG 25 7.382 13.463 19.330
736 HB2 ARG 25 HB2 ARG 25 7.104 11.946 21.963
737 HB3 ARG 25 HB3 ARG 25 5.887 12.982 21.213
738 HG2 ARG 25 HG2 ARG 25 5.729 11.384 19.307
739 HG3 ARG 25 HG3 ARG 25 6.927 10.346 20.104
740 HD2 ARG 25 HD2 ARG 25 5.384 10.210 22.092
741 HD3 ARG 25 HD3 ARG 25 4.162 11.092 21.147
742 HE ARG 25 HE ARG 25 4.843 8.958 19.514
743 HH11 ARG 25 HH11 ARG 25 3.420 9.182 22.705
744 HH12 ARG 25 HH12 ARG 25 2.828 7.545 22.640
745 HH21 ARG 25 HH21 ARG 25 4.304 6.835 19.596
746 HH22 ARG 25 HH22 ARG 25 3.261 6.261 20.889
747 H ALA 26 H ALA 26 7.240 15.510 20.022
748 HA ALA 26 HA ALA 26 8.751 16.417 22.441
749 HB1 ALA 26 HB1 ALA 26 7.296 18.007 20.289
750 HB2 ALA 26 HB2 ALA 26 8.165 18.680 21.678
751 HB3 ALA 26 HB3 ALA 26 9.047 17.798 20.419
752 H GLU 27 H GLU 27 7.642 16.439 24.313
753 HA GLU 27 HA GLU 27 4.690 16.694 24.415
754 HB2 GLU 27 HB2 GLU 27 5.198 14.316 23.753
755 HB3 GLU 27 HB3 GLU 27 6.121 14.145 25.253
756 HG2 GLU 27 HG2 GLU 27 4.029 14.656 26.541
757 HG3 GLU 27 HG3 GLU 27 3.157 14.845 25.013
758 H GLY 28 H GLY 28 4.100 17.730 26.257
759 HA2 GLY 28 HA2 GLY 28 4.060 18.481 28.419
760 HA3 GLY 28 HA3 GLY 28 4.913 16.994 28.835
761 H GLY 29 H GLY 29 6.377 19.500 26.777
762 HA2 GLY 29 HA2 GLY 29 8.111 21.014 27.177
763 HA3 GLY 29 HA3 GLY 29 7.971 20.733 28.918
764 H ALA 30 H ALA 30 8.342 17.919 26.895
765 HA ALA 30 HA ALA 30 11.288 17.778 27.241
766 HB1 ALA 30 HB1 ALA 30 11.045 15.476 28.110
767 HB2 ALA 30 HB2 ALA 30 10.142 16.593 29.154
768 HB3 ALA 30 HB3 ALA 30 9.276 15.584 27.979
769 H VAL 31 H VAL 31 12.228 16.006 25.928
770 HA VAL 31 HA VAL 31 10.518 15.159 23.617
771 HB VAL 31 HB VAL 31 13.515 15.516 23.659
772 HG11 VAL 31 HG11 VAL 31 13.137 13.475 22.432
773 HG12 VAL 31 HG12 VAL 31 11.727 14.169 21.581
774 HG13 VAL 31 HG13 VAL 31 13.361 14.748 21.247
775 HG21 VAL 31 HG21 VAL 31 13.043 17.073 21.814
776 HG22 VAL 31 HG22 VAL 31 11.308 16.661 21.877
777 HG23 VAL 31 HG23 VAL 31 12.078 17.519 23.212
778 H ARG 32 H ARG 32 10.211 13.073 23.239
779 HA ARG 32 HA ARG 32 11.505 11.002 24.984
780 HB2 ARG 32 HB2 ARG 32 8.545 11.416 24.383
781 HB3 ARG 32 HB3 ARG 32 9.202 9.909 25.062
782 HG2 ARG 32 HG2 ARG 32 9.973 11.025 27.054
783 HG3 ARG 32 HG3 ARG 32 9.607 12.624 26.389
784 HD2 ARG 32 HD2 ARG 32 7.210 12.090 26.318
785 HD3 ARG 32 HD3 ARG 32 7.531 10.514 27.055
786 HE ARG 32 HE ARG 32 8.717 12.233 28.815
787 HH11 ARG 32 HH11 ARG 32 5.424 12.250 27.539
788 HH12 ARG 32 HH12 ARG 32 4.807 12.954 29.015
789 HH21 ARG 32 HH21 ARG 32 7.826 13.119 30.618
790 HH22 ARG 32 HH22 ARG 32 6.119 13.458 30.684
791 H VAL 33 H VAL 33 12.006 9.119 23.998
792 HA VAL 33 HA VAL 33 11.356 8.745 21.125
793 HB VAL 33 HB VAL 33 13.138 9.662 20.365
794 HG11 VAL 33 HG11 VAL 33 14.313 10.054 23.124
795 HG12 VAL 33 HG12 VAL 33 14.957 10.734 21.600
796 HG13 VAL 33 HG13 VAL 33 13.372 11.217 22.160
797 HG21 VAL 33 HG21 VAL 33 15.351 8.756 20.493
798 HG22 VAL 33 HG22 VAL 33 14.915 7.769 21.907
799 HG23 VAL 33 HG23 VAL 33 14.173 7.469 20.323
800 H THR 34 H THR 34 11.681 6.731 20.243
801 HA THR 34 HA THR 34 12.345 4.510 22.160
802 HB THR 34 HB THR 34 9.965 4.529 20.277
803 HG1 THR 34 HG1 THR 34 9.597 5.852 22.045
804 HG21 THR 34 HG21 THR 34 10.788 2.247 20.601
805 HG22 THR 34 HG22 THR 34 10.918 2.508 22.358
806 HG23 THR 34 HG23 THR 34 9.328 2.484 21.563
807 H THR 35 H THR 35 13.749 3.074 21.425
808 HA THR 35 HA THR 35 14.631 3.107 18.597
809 HB THR 35 HB THR 35 16.465 1.746 19.284
810 HG1 THR 35 HG1 THR 35 15.373 1.711 21.880
811 HG21 THR 35 HG21 THR 35 17.591 3.140 20.896
812 HG22 THR 35 HG22 THR 35 16.656 4.163 19.789
813 HG23 THR 35 HG23 THR 35 16.054 3.866 21.433
814 H LEU 36 H LEU 36 15.202 0.995 17.536
815 HA LEU 36 HA LEU 36 12.996 -0.757 17.271
816 HB2 LEU 36 HB2 LEU 36 14.229 -1.849 15.668
817 HB3 LEU 36 HB3 LEU 36 14.840 -0.206 15.593
818 HG LEU 36 HG LEU 36 16.222 -2.601 16.917
819 HD11 LEU 36 HD11 LEU 36 16.177 -2.658 14.439
820 HD12 LEU 36 HD12 LEU 36 16.921 -1.046 14.399
821 HD13 LEU 36 HD13 LEU 36 17.812 -2.420 15.084
822 HD21 LEU 36 HD21 LEU 36 18.218 -1.076 17.000
823 HD22 LEU 36 HD22 LEU 36 17.141 0.284 16.607
824 HD23 LEU 36 HD23 LEU 36 16.942 -0.618 18.116
825 H PHE 37 H PHE 37 15.372 -0.816 19.759
826 HA PHE 37 HA PHE 37 14.952 -3.672 20.403
827 HB2 PHE 37 HB2 PHE 37 16.492 -1.514 21.900
828 HB3 PHE 37 HB3 PHE 37 16.561 -3.248 22.188
829 HD1 PHE 37 HD1 PHE 37 18.461 -0.696 20.909
830 HD2 PHE 37 HD2 PHE 37 17.036 -4.605 19.778
831 HE1 PHE 37 HE1 PHE 37 20.386 -0.954 19.364
832 HE2 PHE 37 HE2 PHE 37 18.958 -4.854 18.213
833 HZ PHE 37 HZ PHE 37 20.639 -3.030 18.014
834 H ASP 38 H ASP 38 12.983 -1.137 20.694
835 HA ASP 38 HA ASP 38 11.366 -0.379 21.993
836 HB2 ASP 38 HB2 ASP 38 11.434 -2.939 23.602
837 HB3 ASP 38 HB3 ASP 38 10.127 -1.770 23.523
838 H GLU 39 H GLU 39 14.336 -0.215 22.875
839 HA GLU 39 HA GLU 39 14.130 0.548 25.697
840 HB2 GLU 39 HB2 GLU 39 16.250 -0.269 24.703
841 HB3 GLU 39 HB3 GLU 39 16.307 1.160 23.659
842 HG2 GLU 39 HG2 GLU 39 16.390 2.638 25.657
843 HG3 GLU 39 HG3 GLU 39 16.270 1.223 26.708
844 H GLU 40 H GLU 40 13.433 2.407 26.481
845 HA GLU 40 HA GLU 40 12.704 4.646 24.664
846 HB2 GLU 40 HB2 GLU 40 11.827 3.946 27.479
847 HB3 GLU 40 HB3 GLU 40 11.348 5.419 26.612
848 HG2 GLU 40 HG2 GLU 40 10.236 4.118 24.881
849 HG3 GLU 40 HG3 GLU 40 10.791 2.603 25.600
850 H HIS 41 H HIS 41 13.237 6.737 25.055
851 HA HIS 41 HA HIS 41 15.261 7.418 27.149
852 HB2 HIS 41 HB2 HIS 41 15.390 8.217 24.216
853 HB3 HIS 41 HB3 HIS 41 16.494 8.725 25.490
854 HD2 HIS 41 HD2 HIS 41 15.755 5.777 23.165
855 HE1 HIS 41 HE1 HIS 41 19.220 4.678 25.392
856 HE2 HIS 41 HE2 HIS 41 17.722 4.031 23.450
857 H ALA 42 H ALA 42 15.159 9.567 27.913
858 HA ALA 42 HA ALA 42 13.036 11.340 26.860
859 HB1 ALA 42 HB1 ALA 42 12.084 11.651 29.109
860 HB2 ALA 42 HB2 ALA 42 11.906 9.970 28.546
861 HB3 ALA 42 HB3 ALA 42 13.151 10.388 29.749
862 H PHE 43 H PHE 43 13.433 13.439 27.047
863 HA PHE 43 HA PHE 43 15.803 14.446 28.564
864 HB2 PHE 43 HB2 PHE 43 15.215 14.967 25.639
865 HB3 PHE 43 HB3 PHE 43 16.543 15.631 26.594
866 HD1 PHE 43 HD1 PHE 43 18.279 14.027 27.581
867 HD2 PHE 43 HD2 PHE 43 15.409 12.822 24.592
868 HE1 PHE 43 HE1 PHE 43 19.640 12.008 27.091
869 HE2 PHE 43 HE2 PHE 43 16.769 10.816 24.096
870 HZ PHE 43 HZ PHE 43 18.883 10.387 25.366
871 HA PRO 44 HA PRO 44 12.273 17.314 29.318
872 HB2 PRO 44 HB2 PRO 44 13.023 18.101 31.838
873 HB3 PRO 44 HB3 PRO 44 12.080 16.626 31.481
874 HG2 PRO 44 HG2 PRO 44 15.059 16.866 31.969
875 HG3 PRO 44 HG3 PRO 44 13.918 15.658 32.635
876 HD2 PRO 44 HD2 PRO 44 15.507 15.135 30.497
877 HD3 PRO 44 HD3 PRO 44 13.857 14.459 30.624
878 H GLY 45 H GLY 45 12.160 19.485 29.097
879 HA2 GLY 45 HA2 GLY 45 12.872 21.699 28.936
880 HA3 GLY 45 HA3 GLY 45 14.541 21.228 29.223
881 H LEU 46 H LEU 46 13.322 19.206 26.804
882 HA LEU 46 HA LEU 46 14.355 20.966 24.630
883 HB2 LEU 46 HB2 LEU 46 14.252 17.939 24.718
884 HB3 LEU 46 HB3 LEU 46 14.861 18.924 23.390
885 HG LEU 46 HG LEU 46 16.089 18.650 26.163
886 HD11 LEU 46 HD11 LEU 46 17.167 17.902 23.418
887 HD12 LEU 46 HD12 LEU 46 17.883 17.537 24.997
888 HD13 LEU 46 HD13 LEU 46 16.372 16.761 24.500
889 HD21 LEU 46 HD21 LEU 46 16.538 20.938 25.392
890 HD22 LEU 46 HD22 LEU 46 17.999 19.961 25.222
891 HD23 LEU 46 HD23 LEU 46 17.018 20.325 23.789
892 H ALA 47 H ALA 47 13.511 20.742 22.554
893 HA ALA 47 HA ALA 47 10.989 19.309 22.063
894 HB1 ALA 47 HB1 ALA 47 11.393 22.238 21.320
895 HB2 ALA 47 HB2 ALA 47 10.045 21.213 20.795
896 HB3 ALA 47 HB3 ALA 47 10.237 21.607 22.517
897 H ILE 48 H ILE 48 10.698 18.992 19.645
898 HA ILE 48 HA ILE 48 13.252 18.283 18.418
899 HB ILE 48 HB ILE 48 10.453 18.161 17.254
900 HG12 ILE 48 HG12 ILE 48 12.094 15.832 18.363
901 HG13 ILE 48 HG13 ILE 48 10.918 16.705 19.336
902 HG21 ILE 48 HG21 ILE 48 13.099 16.948 16.319
903 HG22 ILE 48 HG22 ILE 48 11.529 16.574 15.602
904 HG23 ILE 48 HG23 ILE 48 12.164 18.205 15.477
905 HD11 ILE 48 HD11 ILE 48 9.130 16.156 17.691
906 HD12 ILE 48 HD12 ILE 48 10.297 15.112 16.840
907 HD13 ILE 48 HD13 ILE 48 9.843 14.761 18.503
908 H GLY 49 H GLY 49 14.474 19.492 17.131
909 HA2 GLY 49 HA2 GLY 49 13.544 22.248 16.444
910 HA3 GLY 49 HA3 GLY 49 15.203 21.719 16.711
911 H ARG 50 H ARG 50 15.138 19.379 14.965
912 HA ARG 50 HA ARG 50 14.503 20.420 12.265
913 HB2 ARG 50 HB2 ARG 50 16.817 21.301 13.206
914 HB3 ARG 50 HB3 ARG 50 17.375 19.663 12.897
915 HG2 ARG 50 HG2 ARG 50 16.837 19.936 10.493
916 HG3 ARG 50 HG3 ARG 50 16.132 21.526 10.848
917 HD2 ARG 50 HD2 ARG 50 18.316 21.963 10.008
918 HD3 ARG 50 HD3 ARG 50 18.349 22.289 11.731
919 HE ARG 50 HE ARG 50 19.637 20.318 12.107
920 HH11 ARG 50 HH11 ARG 50 19.268 20.918 8.642
921 HH12 ARG 50 HH12 ARG 50 20.429 19.649 8.263
922 HH21 ARG 50 HH21 ARG 50 21.179 18.826 11.471
923 HH22 ARG 50 HH22 ARG 50 21.525 18.635 9.775
924 H VAL 51 H VAL 51 14.410 18.835 10.655
925 HA VAL 51 HA VAL 51 15.685 16.229 11.257
926 HB VAL 51 HB VAL 51 13.039 16.260 9.795
927 HG11 VAL 51 HG11 VAL 51 13.157 13.825 10.190
928 HG12 VAL 51 HG12 VAL 51 14.546 14.397 9.265
929 HG13 VAL 51 HG13 VAL 51 14.729 14.032 10.991
930 HG21 VAL 51 HG21 VAL 51 12.477 16.875 12.084
931 HG22 VAL 51 HG22 VAL 51 12.061 15.185 11.812
932 HG23 VAL 51 HG23 VAL 51 13.529 15.601 12.724
933 H ASP 52 H ASP 52 17.067 15.700 9.737
934 HA ASP 52 HA ASP 52 17.026 17.143 7.115
935 HB2 ASP 52 HB2 ASP 52 18.721 17.789 8.875
936 HB3 ASP 52 HB3 ASP 52 19.447 16.199 8.708
937 H LEU 53 H LEU 53 15.902 15.589 6.008
938 HA LEU 53 HA LEU 53 16.214 12.779 6.311
939 HB2 LEU 53 HB2 LEU 53 14.975 14.430 4.067
940 HB3 LEU 53 HB3 LEU 53 14.854 12.693 4.227
941 HG LEU 53 HG LEU 53 12.799 13.628 4.904
942 HD11 LEU 53 HD11 LEU 53 12.487 12.719 7.121
943 HD12 LEU 53 HD12 LEU 53 13.583 11.685 6.195
944 HD13 LEU 53 HD13 LEU 53 14.232 12.780 7.443
945 HD21 LEU 53 HD21 LEU 53 12.417 15.188 6.669
946 HD22 LEU 53 HD22 LEU 53 14.123 15.270 7.091
947 HD23 LEU 53 HD23 LEU 53 13.562 15.916 5.527
948 H ARG 54 H ARG 54 18.021 15.007 4.364
949 HA ARG 54 HA ARG 54 19.156 13.225 2.403
950 HB2 ARG 54 HB2 ARG 54 20.268 15.695 3.785
951 HB3 ARG 54 HB3 ARG 54 20.993 14.947 2.359
952 HG2 ARG 54 HG2 ARG 54 19.119 15.439 0.970
953 HG3 ARG 54 HG3 ARG 54 18.123 15.969 2.326
954 HD2 ARG 54 HD2 ARG 54 20.664 17.356 1.395
955 HD3 ARG 54 HD3 ARG 54 19.020 17.870 1.020
956 HE ARG 54 HE ARG 54 19.572 17.561 3.899
957 HH11 ARG 54 HH11 ARG 54 19.407 19.977 1.330
958 HH12 ARG 54 HH12 ARG 54 19.348 21.256 2.526
959 HH21 ARG 54 HH21 ARG 54 19.534 19.106 5.185
960 HH22 ARG 54 HH22 ARG 54 19.207 20.764 4.689
961 H SER 55 H SER 55 19.827 13.624 5.810
962 HA SER 55 HA SER 55 22.044 11.603 5.650
963 HB2 SER 55 HB2 SER 55 22.764 13.997 6.061
964 HB3 SER 55 HB3 SER 55 21.915 13.926 7.612
965 HG SER 55 HG SER 55 23.280 12.116 8.155
966 H GLY 56 H GLY 56 18.955 12.187 6.922
967 HA2 GLY 56 HA2 GLY 56 17.618 10.861 8.227
968 HA3 GLY 56 HA3 GLY 56 18.954 9.745 8.482
969 H VAL 57 H VAL 57 19.261 13.184 9.324
970 HA VAL 57 HA VAL 57 19.618 12.370 12.167
971 HB VAL 57 HB VAL 57 20.582 14.855 10.727
972 HG11 VAL 57 HG11 VAL 57 20.175 15.405 13.080
973 HG12 VAL 57 HG12 VAL 57 21.014 13.920 13.593
974 HG13 VAL 57 HG13 VAL 57 21.911 15.237 12.799
975 HG21 VAL 57 HG21 VAL 57 22.828 13.872 11.090
976 HG22 VAL 57 HG22 VAL 57 22.085 12.429 11.802
977 HG23 VAL 57 HG23 VAL 57 21.829 12.814 10.085
978 H ILE 58 H ILE 58 18.209 12.818 13.614
979 HA ILE 58 HA ILE 58 16.270 15.077 13.396
980 HB ILE 58 HB ILE 58 16.415 12.654 15.223
981 HG12 ILE 58 HG12 ILE 58 14.222 13.414 13.252
982 HG13 ILE 58 HG13 ILE 58 15.566 12.348 12.834
983 HG21 ILE 58 HG21 ILE 58 14.303 13.419 16.234
984 HG22 ILE 58 HG22 ILE 58 15.578 14.572 16.533
985 HG23 ILE 58 HG23 ILE 58 14.362 14.920 15.285
986 HD11 ILE 58 HD11 ILE 58 14.897 10.808 14.691
987 HD12 ILE 58 HD12 ILE 58 13.422 11.802 14.895
988 HD13 ILE 58 HD13 ILE 58 13.724 10.962 13.371
989 H SER 59 H SER 59 16.688 16.889 14.572
990 HA SER 59 HA SER 59 18.814 16.802 16.691
991 HB2 SER 59 HB2 SER 59 19.603 17.844 14.569
992 HB3 SER 59 HB3 SER 59 18.320 19.056 14.734
993 HG SER 59 HG SER 59 20.347 19.740 15.609
994 H LEU 60 H LEU 60 18.446 17.873 18.534
995 HA LEU 60 HA LEU 60 15.701 18.964 18.966
996 HB2 LEU 60 HB2 LEU 60 17.575 17.812 21.031
997 HB3 LEU 60 HB3 LEU 60 15.862 18.195 21.211
998 HG LEU 60 HG LEU 60 17.083 15.909 19.594
999 HD11 LEU 60 HD11 LEU 60 15.864 14.514 21.214
1000 HD12 LEU 60 HD12 LEU 60 16.998 15.596 22.026
1001 HD13 LEU 60 HD13 LEU 60 15.274 15.970 22.034
1002 HD21 LEU 60 HD21 LEU 60 14.737 15.170 19.198
1003 HD22 LEU 60 HD22 LEU 60 14.159 16.707 19.873
1004 HD23 LEU 60 HD23 LEU 60 15.094 16.688 18.367
1005 H ILE 61 H ILE 61 15.353 20.694 20.355
1006 HA ILE 61 HA ILE 61 17.639 22.509 20.979
1007 HB ILE 61 HB ILE 61 16.354 24.449 20.164
1008 HG12 ILE 61 HG12 ILE 61 14.657 23.910 18.258
1009 HG13 ILE 61 HG13 ILE 61 14.394 22.381 19.076
1010 HG21 ILE 61 HG21 ILE 61 18.171 23.433 18.867
1011 HG22 ILE 61 HG22 ILE 61 16.998 22.412 18.006
1012 HG23 ILE 61 HG23 ILE 61 16.952 24.183 17.826
1013 HD11 ILE 61 HD11 ILE 61 14.043 25.157 20.307
1014 HD12 ILE 61 HD12 ILE 61 12.737 24.174 19.612
1015 HD13 ILE 61 HD13 ILE 61 13.571 23.614 21.064
1016 H GLU 62 H GLU 62 17.119 24.190 22.560
1017 HA GLU 62 HA GLU 62 15.652 23.077 24.789
1018 HB2 GLU 62 HB2 GLU 62 16.917 25.811 24.400
1019 HB3 GLU 62 HB3 GLU 62 16.210 25.231 25.910
1020 HG2 GLU 62 HG2 GLU 62 17.824 23.364 25.989
1021 HG3 GLU 62 HG3 GLU 62 18.540 23.911 24.463
1022 H GLU 63 H GLU 63 13.580 23.347 25.420
1023 HA GLU 63 HA GLU 63 11.769 24.946 23.728
1024 HB2 GLU 63 HB2 GLU 63 10.002 23.747 24.725
1025 HB3 GLU 63 HB3 GLU 63 11.302 22.632 24.413
1026 HG2 GLU 63 HG2 GLU 63 10.804 21.887 26.482
1027 HG3 GLU 63 HG3 GLU 63 11.949 23.126 26.954
1028 H GLN 64 H GLN 64 13.221 25.295 26.874
1029 HA GLN 64 HA GLN 64 12.314 28.080 27.024
1030 HB2 GLN 64 HB2 GLN 64 11.819 26.069 29.266
1031 HB3 GLN 64 HB3 GLN 64 11.872 27.802 29.536
1032 HG2 GLN 64 HG2 GLN 64 9.854 26.436 27.707
1033 HG3 GLN 64 HG3 GLN 64 9.570 26.885 29.382
1034 HE21 GLN 64 HE21 GLN 64 9.996 28.157 26.097
1035 HE22 GLN 64 HE22 GLN 64 9.433 29.794 26.506
1036 H ASN 65 H ASN 65 13.656 29.389 28.296
1037 HA ASN 65 HA ASN 65 16.367 28.286 28.865
1038 HB2 ASN 65 HB2 ASN 65 15.465 31.164 28.447
1039 HB3 ASN 65 HB3 ASN 65 17.133 30.611 28.654
1040 HD21 ASN 65 HD21 ASN 65 17.942 28.983 26.974
1041 HD22 ASN 65 HD22 ASN 65 17.361 29.233 25.341
1042 H ARG 66 H ARG 66 14.059 27.984 30.705
1043 HA ARG 66 HA ARG 66 15.155 29.055 33.222
1044 HB2 ARG 66 HB2 ARG 66 12.981 30.042 33.862
1045 HB3 ARG 66 HB3 ARG 66 13.773 30.901 32.551
1046 HG2 ARG 66 HG2 ARG 66 12.260 29.834 30.898
1047 HG3 ARG 66 HG3 ARG 66 11.482 28.915 32.189
1048 HD2 ARG 66 HD2 ARG 66 10.658 30.950 33.240
1049 HD3 ARG 66 HD3 ARG 66 11.545 31.955 32.059
1050 HE ARG 66 HE ARG 66 9.965 30.301 30.493
1051 HH11 ARG 66 HH11 ARG 66 9.177 32.678 32.954
1052 HH12 ARG 66 HH12 ARG 66 7.620 33.011 32.234
1053 HH21 ARG 66 HH21 ARG 66 8.069 30.723 29.675
1054 HH22 ARG 66 HH22 ARG 66 7.000 31.932 30.371
Start of MODEL 17
1 H1 GLY -3 H1 GLY -3 15.230 -0.044 -2.012
2 H2 GLY -3 H2 GLY -3 14.137 0.905 -2.784
3 H3 GLY -3 H3 GLY -3 15.720 1.325 -2.771
4 HA2 GLY -3 HA2 GLY -3 16.320 -0.594 -4.084
5 HA3 GLY -3 HA3 GLY -3 14.604 -1.058 -4.104
6 HA PRO -2 HA PRO -2 15.523 1.325 -7.970
7 HB2 PRO -2 HB2 PRO -2 13.501 -0.677 -8.971
8 HB3 PRO -2 HB3 PRO -2 14.996 -0.096 -9.767
9 HG2 PRO -2 HG2 PRO -2 14.950 -2.528 -8.581
10 HG3 PRO -2 HG3 PRO -2 16.363 -1.447 -8.342
11 HD2 PRO -2 HD2 PRO -2 13.994 -1.883 -6.494
12 HD3 PRO -2 HD3 PRO -2 15.742 -1.878 -6.107
13 H GLY -1 H GLY -1 14.185 2.688 -9.287
14 HA2 GLY -1 HA2 GLY -1 12.390 4.030 -9.850
15 HA3 GLY -1 HA3 GLY -1 11.325 2.978 -8.922
16 H SER 0 H SER 0 10.395 5.213 -8.593
17 HA SER 0 HA SER 0 11.637 7.168 -6.933
18 HB2 SER 0 HB2 SER 0 8.671 6.648 -7.350
19 HB3 SER 0 HB3 SER 0 9.399 8.155 -6.775
20 HG SER 0 HG SER 0 10.371 8.426 -8.787
21 H MET 1 H MET 1 11.304 7.765 -4.788
22 HA MET 1 HA MET 1 9.654 6.151 -2.984
23 HB2 MET 1 HB2 MET 1 11.330 5.610 -1.405
24 HB3 MET 1 HB3 MET 1 11.830 4.952 -2.958
25 HG2 MET 1 HG2 MET 1 13.416 6.839 -3.259
26 HG3 MET 1 HG3 MET 1 12.859 7.544 -1.743
27 HE1 MET 1 HE1 MET 1 15.971 6.685 0.016
28 HE2 MET 1 HE2 MET 1 15.612 7.661 -1.437
29 HE3 MET 1 HE3 MET 1 14.483 7.671 -0.055
30 H CYS 2 H CYS 2 9.234 7.204 -0.968
31 HA CYS 2 HA CYS 2 9.573 10.155 -1.071
32 HB2 CYS 2 HB2 CYS 2 7.297 9.085 -0.841
33 HB3 CYS 2 HB3 CYS 2 7.810 8.514 0.773
34 HG CYS 2 HG CYS 2 7.569 11.531 -0.503
35 H MET 3 H MET 3 10.773 11.253 0.361
36 HA MET 3 HA MET 3 12.522 9.795 2.226
37 HB2 MET 3 HB2 MET 3 12.370 12.709 1.395
38 HB3 MET 3 HB3 MET 3 13.463 12.100 2.635
39 HG2 MET 3 HG2 MET 3 14.697 12.229 0.608
40 HG3 MET 3 HG3 MET 3 14.475 10.539 1.023
41 HE1 MET 3 HE1 MET 3 11.979 13.040 -0.743
42 HE2 MET 3 HE2 MET 3 13.490 13.427 -1.595
43 HE3 MET 3 HE3 MET 3 12.165 12.598 -2.447
44 H ALA 4 H ALA 4 10.162 12.519 2.577
45 HA ALA 4 HA ALA 4 8.966 11.206 4.846
46 HB1 ALA 4 HB1 ALA 4 10.287 13.918 5.301
47 HB2 ALA 4 HB2 ALA 4 9.255 13.054 6.464
48 HB3 ALA 4 HB3 ALA 4 10.811 12.366 6.014
49 H LYS 5 H LYS 5 7.060 12.158 5.547
50 HA LYS 5 HA LYS 5 5.777 14.230 3.805
51 HB2 LYS 5 HB2 LYS 5 4.482 12.271 3.601
52 HB3 LYS 5 HB3 LYS 5 4.686 11.829 5.296
53 HG2 LYS 5 HG2 LYS 5 3.208 13.596 6.037
54 HG3 LYS 5 HG3 LYS 5 3.040 14.224 4.377
55 HD2 LYS 5 HD2 LYS 5 1.796 12.328 3.676
56 HD3 LYS 5 HD3 LYS 5 2.300 11.362 5.078
57 HE2 LYS 5 HE2 LYS 5 1.015 12.731 6.597
58 HE3 LYS 5 HE3 LYS 5 0.598 13.875 5.317
59 HZ1 LYS 5 HZ1 LYS 5 -0.197 11.017 5.188
60 HZ2 LYS 5 HZ2 LYS 5 -1.150 12.163 5.858
61 HZ3 LYS 5 HZ3 LYS 5 -0.771 12.274 4.282
62 H VAL 6 H VAL 6 5.351 16.125 4.722
63 HA VAL 6 HA VAL 6 5.327 16.406 7.707
64 HB VAL 6 HB VAL 6 5.703 18.495 5.547
65 HG11 VAL 6 HG11 VAL 6 5.377 18.920 8.534
66 HG12 VAL 6 HG12 VAL 6 5.935 20.145 7.376
67 HG13 VAL 6 HG13 VAL 6 4.292 19.526 7.256
68 HG21 VAL 6 HG21 VAL 6 7.707 17.131 6.254
69 HG22 VAL 6 HG22 VAL 6 7.844 18.876 6.536
70 HG23 VAL 6 HG23 VAL 6 7.488 17.776 7.889
71 H VAL 7 H VAL 7 3.433 16.976 8.725
72 HA VAL 7 HA VAL 7 1.064 17.684 7.080
73 HB VAL 7 HB VAL 7 1.014 15.286 7.245
74 HG11 VAL 7 HG11 VAL 7 0.908 15.602 10.277
75 HG12 VAL 7 HG12 VAL 7 0.690 14.097 9.364
76 HG13 VAL 7 HG13 VAL 7 2.254 14.921 9.352
77 HG21 VAL 7 HG21 VAL 7 -1.135 16.599 7.338
78 HG22 VAL 7 HG22 VAL 7 -1.229 14.990 8.071
79 HG23 VAL 7 HG23 VAL 7 -1.120 16.425 9.107
80 H LEU 8 H LEU 8 -0.397 18.947 7.898
81 HA LEU 8 HA LEU 8 -0.614 19.593 10.725
82 HB2 LEU 8 HB2 LEU 8 -0.235 21.945 10.550
83 HB3 LEU 8 HB3 LEU 8 1.188 21.092 9.995
84 HG LEU 8 HG LEU 8 0.916 23.063 8.722
85 HD11 LEU 8 HD11 LEU 8 1.064 22.321 6.510
86 HD12 LEU 8 HD12 LEU 8 1.802 21.120 7.568
87 HD13 LEU 8 HD13 LEU 8 0.199 20.818 6.884
88 HD21 LEU 8 HD21 LEU 8 -1.485 23.444 9.036
89 HD22 LEU 8 HD22 LEU 8 -0.930 23.687 7.371
90 HD23 LEU 8 HD23 LEU 8 -1.833 22.229 7.798
91 H THR 9 H THR 9 -2.523 21.077 11.095
92 HA THR 9 HA THR 9 -4.623 20.748 8.977
93 HB THR 9 HB THR 9 -5.120 20.552 11.960
94 HG1 THR 9 HG1 THR 9 -4.045 18.740 11.215
95 HG21 THR 9 HG21 THR 9 -6.899 20.018 9.535
96 HG22 THR 9 HG22 THR 9 -7.328 19.671 11.218
97 HG23 THR 9 HG23 THR 9 -7.098 21.351 10.707
98 H LYS 10 H LYS 10 -5.724 22.520 8.415
99 HA LYS 10 HA LYS 10 -4.872 25.128 9.424
100 HB2 LYS 10 HB2 LYS 10 -6.918 24.316 7.312
101 HB3 LYS 10 HB3 LYS 10 -6.389 25.961 7.625
102 HG2 LYS 10 HG2 LYS 10 -4.021 25.260 7.095
103 HG3 LYS 10 HG3 LYS 10 -4.658 23.693 6.572
104 HD2 LYS 10 HD2 LYS 10 -5.515 26.389 5.453
105 HD3 LYS 10 HD3 LYS 10 -4.282 25.364 4.715
106 HE2 LYS 10 HE2 LYS 10 -5.844 23.667 4.131
107 HE3 LYS 10 HE3 LYS 10 -7.069 24.277 5.249
108 HZ1 LYS 10 HZ1 LYS 10 -6.178 25.767 2.848
109 HZ2 LYS 10 HZ2 LYS 10 -7.547 24.876 2.925
110 HZ3 LYS 10 HZ3 LYS 10 -7.387 26.197 3.879
111 H ALA 11 H ALA 11 -6.341 26.842 9.994
112 HA ALA 11 HA ALA 11 -8.475 26.276 11.838
113 HB1 ALA 11 HB1 ALA 11 -8.860 28.707 11.688
114 HB2 ALA 11 HB2 ALA 11 -7.127 28.359 11.841
115 HB3 ALA 11 HB3 ALA 11 -7.809 28.802 10.257
116 H ASP 12 H ASP 12 -8.413 26.397 8.349
117 HA ASP 12 HA ASP 12 -11.238 26.683 7.827
118 HB2 ASP 12 HB2 ASP 12 -9.091 25.207 6.240
119 HB3 ASP 12 HB3 ASP 12 -10.669 25.704 5.637
120 H GLY 13 H GLY 13 -9.548 24.131 9.368
121 HA2 GLY 13 HA2 GLY 13 -10.328 22.104 10.174
122 HA3 GLY 13 HA3 GLY 13 -11.793 22.236 9.184
123 H GLY 14 H GLY 14 -9.462 22.806 6.975
124 HA2 GLY 14 HA2 GLY 14 -9.305 19.993 6.039
125 HA3 GLY 14 HA3 GLY 14 -8.873 21.436 5.123
126 H ARG 15 H ARG 15 -7.341 18.942 5.581
127 HA ARG 15 HA ARG 15 -4.984 19.780 7.167
128 HB2 ARG 15 HB2 ARG 15 -5.406 17.323 5.440
129 HB3 ARG 15 HB3 ARG 15 -3.999 17.668 6.453
130 HG2 ARG 15 HG2 ARG 15 -5.673 17.826 8.425
131 HG3 ARG 15 HG3 ARG 15 -6.821 17.022 7.349
132 HD2 ARG 15 HD2 ARG 15 -4.098 16.019 8.254
133 HD3 ARG 15 HD3 ARG 15 -5.649 15.372 8.763
134 HE ARG 15 HE ARG 15 -4.247 14.886 6.200
135 HH11 ARG 15 HH11 ARG 15 -7.371 14.476 7.779
136 HH12 ARG 15 HH12 ARG 15 -7.866 13.287 6.604
137 HH21 ARG 15 HH21 ARG 15 -4.895 13.495 4.837
138 HH22 ARG 15 HH22 ARG 15 -6.483 12.715 4.929
139 H VAL 16 H VAL 16 -2.926 19.932 6.359
140 HA VAL 16 HA VAL 16 -2.529 20.298 3.417
141 HB VAL 16 HB VAL 16 -1.362 21.902 5.679
142 HG11 VAL 16 HG11 VAL 16 -0.206 21.799 2.869
143 HG12 VAL 16 HG12 VAL 16 0.239 22.932 4.172
144 HG13 VAL 16 HG13 VAL 16 0.592 21.232 4.362
145 HG21 VAL 16 HG21 VAL 16 -3.403 22.769 4.630
146 HG22 VAL 16 HG22 VAL 16 -2.008 23.819 4.359
147 HG23 VAL 16 HG23 VAL 16 -2.582 22.759 3.049
148 H GLU 17 H GLU 17 -0.981 19.033 2.580
149 HA GLU 17 HA GLU 17 0.778 17.424 4.375
150 HB2 GLU 17 HB2 GLU 17 -0.990 16.277 2.178
151 HB3 GLU 17 HB3 GLU 17 0.275 15.411 3.047
152 HG2 GLU 17 HG2 GLU 17 -0.936 15.783 5.182
153 HG3 GLU 17 HG3 GLU 17 -2.233 16.614 4.306
154 H ILE 18 H ILE 18 2.792 17.285 3.684
155 HA ILE 18 HA ILE 18 3.487 18.220 0.921
156 HB ILE 18 HB ILE 18 4.947 18.819 3.501
157 HG12 ILE 18 HG12 ILE 18 3.329 20.832 1.887
158 HG13 ILE 18 HG13 ILE 18 2.718 20.037 3.339
159 HG21 ILE 18 HG21 ILE 18 5.369 19.947 0.701
160 HG22 ILE 18 HG22 ILE 18 6.321 20.350 2.146
161 HG23 ILE 18 HG23 ILE 18 6.390 18.723 1.474
162 HD11 ILE 18 HD11 ILE 18 4.625 20.919 4.657
163 HD12 ILE 18 HD12 ILE 18 5.082 21.914 3.238
164 HD13 ILE 18 HD13 ILE 18 3.504 22.135 4.021
165 H GLY 19 H GLY 19 4.177 16.439 -0.089
166 HA2 GLY 19 HA2 GLY 19 5.669 14.302 1.300
167 HA3 GLY 19 HA3 GLY 19 5.084 14.291 -0.352
168 H ASP 20 H ASP 20 7.511 13.323 0.195
169 HA ASP 20 HA ASP 20 9.647 13.285 -0.492
170 HB2 ASP 20 HB2 ASP 20 8.821 15.295 -2.581
171 HB3 ASP 20 HB3 ASP 20 10.166 14.161 -2.646
172 H VAL 21 H VAL 21 9.239 14.928 1.695
173 HA VAL 21 HA VAL 21 10.728 17.406 1.538
174 HB VAL 21 HB VAL 21 9.708 15.746 3.872
175 HG11 VAL 21 HG11 VAL 21 11.550 17.029 4.746
176 HG12 VAL 21 HG12 VAL 21 11.016 18.483 3.878
177 HG13 VAL 21 HG13 VAL 21 10.039 17.814 5.210
178 HG21 VAL 21 HG21 VAL 21 7.997 17.526 3.990
179 HG22 VAL 21 HG22 VAL 21 8.754 18.361 2.619
180 HG23 VAL 21 HG23 VAL 21 7.985 16.775 2.396
181 H LEU 22 H LEU 22 12.782 17.829 1.800
182 HA LEU 22 HA LEU 22 14.729 15.661 2.457
183 HB2 LEU 22 HB2 LEU 22 15.087 18.374 1.125
184 HB3 LEU 22 HB3 LEU 22 16.391 17.257 1.499
185 HG LEU 22 HG LEU 22 14.137 16.770 -0.494
186 HD11 LEU 22 HD11 LEU 22 17.140 17.205 -0.780
187 HD12 LEU 22 HD12 LEU 22 16.045 16.806 -2.110
188 HD13 LEU 22 HD13 LEU 22 15.856 18.345 -1.250
189 HD21 LEU 22 HD21 LEU 22 15.431 14.726 -1.120
190 HD22 LEU 22 HD22 LEU 22 16.446 14.943 0.323
191 HD23 LEU 22 HD23 LEU 22 14.699 14.623 0.482
192 H GLU 23 H GLU 23 13.481 18.756 3.711
193 HA GLU 23 HA GLU 23 15.081 18.358 6.148
194 HB2 GLU 23 HB2 GLU 23 16.613 19.514 4.532
195 HB3 GLU 23 HB3 GLU 23 15.471 20.859 4.467
196 HG2 GLU 23 HG2 GLU 23 15.793 21.218 6.917
197 HG3 GLU 23 HG3 GLU 23 16.939 19.867 6.936
198 H VAL 24 H VAL 24 14.202 19.304 7.924
199 HA VAL 24 HA VAL 24 12.039 21.330 7.635
200 HB VAL 24 HB VAL 24 11.854 18.908 9.449
201 HG11 VAL 24 HG11 VAL 24 9.903 21.201 8.958
202 HG12 VAL 24 HG12 VAL 24 9.537 19.746 9.901
203 HG13 VAL 24 HG13 VAL 24 10.748 20.870 10.484
204 HG21 VAL 24 HG21 VAL 24 11.367 18.225 7.183
205 HG22 VAL 24 HG22 VAL 24 9.851 18.337 8.075
206 HG23 VAL 24 HG23 VAL 24 10.306 19.631 6.951
207 H ARG 25 H ARG 25 12.035 22.884 9.213
208 HA ARG 25 HA ARG 25 13.870 22.654 11.561
209 HB2 ARG 25 HB2 ARG 25 13.677 25.311 10.153
210 HB3 ARG 25 HB3 ARG 25 14.889 24.713 11.266
211 HG2 ARG 25 HG2 ARG 25 16.074 24.769 9.314
212 HG3 ARG 25 HG3 ARG 25 15.540 23.085 9.289
213 HD2 ARG 25 HD2 ARG 25 13.662 23.773 7.767
214 HD3 ARG 25 HD3 ARG 25 14.225 25.449 7.846
215 HE ARG 25 HE ARG 25 16.383 23.821 6.940
216 HH11 ARG 25 HH11 ARG 25 13.194 24.684 5.690
217 HH12 ARG 25 HH12 ARG 25 13.743 24.402 4.045
218 HH21 ARG 25 HH21 ARG 25 16.950 23.696 4.826
219 HH22 ARG 25 HH22 ARG 25 15.718 23.909 3.586
220 H ALA 26 H ALA 26 13.130 23.580 13.427
221 HA ALA 26 HA ALA 26 10.567 25.132 13.339
222 HB1 ALA 26 HB1 ALA 26 10.400 23.115 14.725
223 HB2 ALA 26 HB2 ALA 26 11.842 23.599 15.644
224 HB3 ALA 26 HB3 ALA 26 10.363 24.581 15.730
225 H GLU 27 H GLU 27 10.956 27.250 13.300
226 HA GLU 27 HA GLU 27 13.139 28.486 14.871
227 HB2 GLU 27 HB2 GLU 27 14.351 27.635 12.954
228 HB3 GLU 27 HB3 GLU 27 13.152 28.247 11.836
229 HG2 GLU 27 HG2 GLU 27 15.217 29.583 11.810
230 HG3 GLU 27 HG3 GLU 27 13.807 30.543 12.238
231 H GLY 28 H GLY 28 12.614 30.478 15.529
232 HA2 GLY 28 HA2 GLY 28 11.763 32.592 15.601
233 HA3 GLY 28 HA3 GLY 28 11.560 32.504 13.850
234 H GLY 29 H GLY 29 9.879 30.365 16.121
235 HA2 GLY 29 HA2 GLY 29 7.639 30.157 16.698
236 HA3 GLY 29 HA3 GLY 29 7.334 31.790 16.106
237 H ALA 30 H ALA 30 8.842 29.542 13.913
238 HA ALA 30 HA ALA 30 6.294 28.794 12.584
239 HB1 ALA 30 HB1 ALA 30 7.158 29.546 10.418
240 HB2 ALA 30 HB2 ALA 30 7.168 30.917 11.542
241 HB3 ALA 30 HB3 ALA 30 8.673 30.060 11.166
242 H VAL 31 H VAL 31 6.437 26.972 11.229
243 HA VAL 31 HA VAL 31 8.993 25.402 11.400
244 HB VAL 31 HB VAL 31 6.196 24.415 10.848
245 HG11 VAL 31 HG11 VAL 31 8.857 22.952 10.561
246 HG12 VAL 31 HG12 VAL 31 7.286 22.150 10.640
247 HG13 VAL 31 HG13 VAL 31 7.646 23.210 9.280
248 HG21 VAL 31 HG21 VAL 31 6.675 23.054 12.844
249 HG22 VAL 31 HG22 VAL 31 8.338 23.689 12.901
250 HG23 VAL 31 HG23 VAL 31 6.961 24.762 13.214
251 H ARG 32 H ARG 32 10.079 24.839 9.643
252 HA ARG 32 HA ARG 32 9.328 26.125 7.040
253 HB2 ARG 32 HB2 ARG 32 12.055 26.195 8.412
254 HB3 ARG 32 HB3 ARG 32 11.605 27.009 6.900
255 HG2 ARG 32 HG2 ARG 32 9.998 28.441 8.169
256 HG3 ARG 32 HG3 ARG 32 10.444 27.610 9.668
257 HD2 ARG 32 HD2 ARG 32 12.834 28.359 9.284
258 HD3 ARG 32 HD3 ARG 32 12.218 29.379 7.980
259 HE ARG 32 HE ARG 32 11.312 29.534 10.871
260 HH11 ARG 32 HH11 ARG 32 12.187 31.342 7.978
261 HH12 ARG 32 HH12 ARG 32 11.825 32.865 8.749
262 HH21 ARG 32 HH21 ARG 32 10.924 31.410 11.749
263 HH22 ARG 32 HH22 ARG 32 11.139 32.915 10.860
264 H VAL 33 H VAL 33 9.919 25.022 5.177
265 HA VAL 33 HA VAL 33 11.088 22.283 5.542
266 HB VAL 33 HB VAL 33 8.529 22.845 4.037
267 HG11 VAL 33 HG11 VAL 33 9.861 20.260 4.819
268 HG12 VAL 33 HG12 VAL 33 8.201 20.381 4.178
269 HG13 VAL 33 HG13 VAL 33 9.558 20.869 3.173
270 HG21 VAL 33 HG21 VAL 33 8.824 21.635 6.815
271 HG22 VAL 33 HG22 VAL 33 8.040 23.179 6.427
272 HG23 VAL 33 HG23 VAL 33 7.320 21.679 5.863
273 H THR 34 H THR 34 12.073 21.344 3.805
274 HA THR 34 HA THR 34 12.091 22.765 1.163
275 HB THR 34 HB THR 34 14.523 21.718 2.642
276 HG1 THR 34 HG1 THR 34 13.927 24.251 1.548
277 HG21 THR 34 HG21 THR 34 14.337 22.738 -0.222
278 HG22 THR 34 HG22 THR 34 15.837 22.559 0.702
279 HG23 THR 34 HG23 THR 34 14.866 21.126 0.309
280 H THR 35 H THR 35 12.075 21.473 -0.621
281 HA THR 35 HA THR 35 11.844 18.498 -0.252
282 HB THR 35 HB THR 35 10.143 18.494 -1.994
283 HG1 THR 35 HG1 THR 35 9.309 20.574 -2.644
284 HG21 THR 35 HG21 THR 35 9.347 18.815 0.340
285 HG22 THR 35 HG22 THR 35 9.418 20.573 0.132
286 HG23 THR 35 HG23 THR 35 8.294 19.595 -0.845
287 H LEU 36 H LEU 36 12.163 17.255 -2.324
288 HA LEU 36 HA LEU 36 14.651 17.985 -3.569
289 HB2 LEU 36 HB2 LEU 36 14.316 15.990 -4.994
290 HB3 LEU 36 HB3 LEU 36 14.257 15.705 -3.265
291 HG LEU 36 HG LEU 36 11.961 15.264 -3.257
292 HD11 LEU 36 HD11 LEU 36 10.954 16.899 -4.720
293 HD12 LEU 36 HD12 LEU 36 11.773 16.196 -6.143
294 HD13 LEU 36 HD13 LEU 36 10.505 15.296 -5.286
295 HD21 LEU 36 HD21 LEU 36 13.478 13.489 -4.188
296 HD22 LEU 36 HD22 LEU 36 11.811 13.357 -4.782
297 HD23 LEU 36 HD23 LEU 36 13.068 14.058 -5.819
298 H PHE 37 H PHE 37 11.653 19.275 -4.312
299 HA PHE 37 HA PHE 37 12.188 19.807 -7.154
300 HB2 PHE 37 HB2 PHE 37 10.174 21.039 -5.264
301 HB3 PHE 37 HB3 PHE 37 10.197 21.187 -7.020
302 HD1 PHE 37 HD1 PHE 37 8.711 19.420 -4.337
303 HD2 PHE 37 HD2 PHE 37 10.201 18.853 -8.346
304 HE1 PHE 37 HE1 PHE 37 7.335 17.370 -4.561
305 HE2 PHE 37 HE2 PHE 37 8.808 16.808 -8.568
306 HZ PHE 37 HZ PHE 37 7.381 16.054 -6.662
307 H ASP 38 H ASP 38 13.782 20.829 -4.498
308 HA ASP 38 HA ASP 38 14.998 22.542 -3.816
309 HB2 ASP 38 HB2 ASP 38 14.934 23.655 -6.630
310 HB3 ASP 38 HB3 ASP 38 16.070 24.061 -5.349
311 H GLU 39 H GLU 39 11.977 22.751 -3.946
312 HA GLU 39 HA GLU 39 11.515 25.641 -3.685
313 HB2 GLU 39 HB2 GLU 39 9.765 23.191 -3.196
314 HB3 GLU 39 HB3 GLU 39 9.232 24.836 -2.883
315 HG2 GLU 39 HG2 GLU 39 10.071 23.714 -5.573
316 HG3 GLU 39 HG3 GLU 39 8.419 24.058 -5.027
317 H GLU 40 H GLU 40 10.616 26.565 -1.841
318 HA GLU 40 HA GLU 40 11.446 25.485 0.815
319 HB2 GLU 40 HB2 GLU 40 12.071 28.247 -0.285
320 HB3 GLU 40 HB3 GLU 40 12.128 27.837 1.433
321 HG2 GLU 40 HG2 GLU 40 13.815 26.119 1.038
322 HG3 GLU 40 HG3 GLU 40 13.772 26.438 -0.694
323 H HIS 41 H HIS 41 10.066 25.841 2.391
324 HA HIS 41 HA HIS 41 7.596 27.495 1.947
325 HB2 HIS 41 HB2 HIS 41 7.618 24.689 3.105
326 HB3 HIS 41 HB3 HIS 41 6.225 25.677 2.685
327 HD2 HIS 41 HD2 HIS 41 8.707 23.196 1.225
328 HE1 HIS 41 HE1 HIS 41 6.275 24.415 -2.059
329 HE2 HIS 41 HE2 HIS 41 8.027 22.746 -1.286
330 H ALA 42 H ALA 42 6.492 28.151 3.847
331 HA ALA 42 HA ALA 42 7.710 27.623 6.467
332 HB1 ALA 42 HB1 ALA 42 7.443 30.445 5.350
333 HB2 ALA 42 HB2 ALA 42 7.917 30.018 7.016
334 HB3 ALA 42 HB3 ALA 42 8.967 29.580 5.656
335 H PHE 43 H PHE 43 6.381 27.773 8.134
336 HA PHE 43 HA PHE 43 3.484 28.412 7.714
337 HB2 PHE 43 HB2 PHE 43 4.632 25.892 8.953
338 HB3 PHE 43 HB3 PHE 43 2.930 26.294 8.734
339 HD1 PHE 43 HD1 PHE 43 2.022 26.579 6.363
340 HD2 PHE 43 HD2 PHE 43 5.886 24.854 7.197
341 HE1 PHE 43 HE1 PHE 43 2.126 25.685 4.041
342 HE2 PHE 43 HE2 PHE 43 5.987 23.947 4.883
343 HZ PHE 43 HZ PHE 43 4.109 24.391 3.299
344 HA PRO 44 HA PRO 44 4.969 30.395 11.594
345 HB2 PRO 44 HB2 PRO 44 3.367 32.608 11.545
346 HB3 PRO 44 HB3 PRO 44 4.888 32.459 10.609
347 HG2 PRO 44 HG2 PRO 44 2.048 31.968 9.630
348 HG3 PRO 44 HG3 PRO 44 3.341 32.927 8.840
349 HD2 PRO 44 HD2 PRO 44 2.809 30.358 8.146
350 HD3 PRO 44 HD3 PRO 44 4.488 30.992 8.152
351 H GLY 45 H GLY 45 4.187 30.354 13.625
352 HA2 GLY 45 HA2 GLY 45 2.633 30.172 15.366
353 HA3 GLY 45 HA3 GLY 45 1.332 29.857 14.219
354 H LEU 46 H LEU 46 3.968 27.870 13.468
355 HA LEU 46 HA LEU 46 2.856 25.575 15.021
356 HB2 LEU 46 HB2 LEU 46 4.224 25.535 12.308
357 HB3 LEU 46 HB3 LEU 46 3.615 24.136 13.180
358 HG LEU 46 HG LEU 46 1.938 26.374 11.975
359 HD11 LEU 46 HD11 LEU 46 2.911 24.643 10.443
360 HD12 LEU 46 HD12 LEU 46 2.059 23.397 11.378
361 HD13 LEU 46 HD13 LEU 46 1.139 24.642 10.501
362 HD21 LEU 46 HD21 LEU 46 1.073 23.926 13.579
363 HD22 LEU 46 HD22 LEU 46 0.799 25.629 14.021
364 HD23 LEU 46 HD23 LEU 46 -0.020 24.947 12.620
365 H ALA 47 H ALA 47 4.193 23.886 15.583
366 HA ALA 47 HA ALA 47 7.129 24.097 15.456
367 HB1 ALA 47 HB1 ALA 47 6.587 25.069 17.657
368 HB2 ALA 47 HB2 ALA 47 5.599 23.646 18.048
369 HB3 ALA 47 HB3 ALA 47 7.356 23.482 17.833
370 H ILE 48 H ILE 48 8.138 21.938 15.888
371 HA ILE 48 HA ILE 48 6.600 19.769 14.656
372 HB ILE 48 HB ILE 48 9.350 19.779 15.928
373 HG12 ILE 48 HG12 ILE 48 8.726 19.621 12.947
374 HG13 ILE 48 HG13 ILE 48 8.920 21.174 13.743
375 HG21 ILE 48 HG21 ILE 48 8.423 17.500 15.953
376 HG22 ILE 48 HG22 ILE 48 7.941 17.641 14.251
377 HG23 ILE 48 HG23 ILE 48 9.658 17.598 14.702
378 HD11 ILE 48 HD11 ILE 48 11.193 20.518 14.512
379 HD12 ILE 48 HD12 ILE 48 11.035 19.005 13.571
380 HD13 ILE 48 HD13 ILE 48 11.027 20.577 12.752
381 H GLY 49 H GLY 49 5.299 18.367 15.661
382 HA2 GLY 49 HA2 GLY 49 5.109 18.300 18.620
383 HA3 GLY 49 HA3 GLY 49 3.986 17.598 17.447
384 H ARG 50 H ARG 50 5.398 15.955 15.919
385 HA ARG 50 HA ARG 50 7.270 14.288 17.419
386 HB2 ARG 50 HB2 ARG 50 6.030 12.266 17.476
387 HB3 ARG 50 HB3 ARG 50 5.068 13.488 18.296
388 HG2 ARG 50 HG2 ARG 50 3.571 13.622 16.341
389 HG3 ARG 50 HG3 ARG 50 4.600 12.462 15.468
390 HD2 ARG 50 HD2 ARG 50 4.209 10.869 17.456
391 HD3 ARG 50 HD3 ARG 50 2.927 11.963 17.956
392 HE ARG 50 HE ARG 50 1.834 11.576 15.755
393 HH11 ARG 50 HH11 ARG 50 4.031 9.000 16.893
394 HH12 ARG 50 HH12 ARG 50 3.561 7.982 15.546
395 HH21 ARG 50 HH21 ARG 50 1.200 10.057 14.255
396 HH22 ARG 50 HH22 ARG 50 1.936 8.472 14.253
397 H VAL 51 H VAL 51 8.115 12.505 16.231
398 HA VAL 51 HA VAL 51 7.661 12.558 13.291
399 HB VAL 51 HB VAL 51 10.451 12.191 14.399
400 HG11 VAL 51 HG11 VAL 51 10.092 11.158 12.251
401 HG12 VAL 51 HG12 VAL 51 9.350 12.628 11.610
402 HG13 VAL 51 HG13 VAL 51 11.079 12.597 12.028
403 HG21 VAL 51 HG21 VAL 51 11.003 14.441 13.518
404 HG22 VAL 51 HG22 VAL 51 9.274 14.753 13.264
405 HG23 VAL 51 HG23 VAL 51 9.917 14.519 14.904
406 H ASP 52 H ASP 52 7.226 10.593 12.507
407 HA ASP 52 HA ASP 52 7.785 8.197 14.224
408 HB2 ASP 52 HB2 ASP 52 5.449 9.074 14.232
409 HB3 ASP 52 HB3 ASP 52 5.332 8.708 12.514
410 H LEU 53 H LEU 53 9.366 7.114 13.304
411 HA LEU 53 HA LEU 53 9.904 7.295 10.441
412 HB2 LEU 53 HB2 LEU 53 11.399 5.903 12.695
413 HB3 LEU 53 HB3 LEU 53 11.954 6.061 11.043
414 HG LEU 53 HG LEU 53 13.129 7.634 12.228
415 HD11 LEU 53 HD11 LEU 53 12.523 9.801 11.284
416 HD12 LEU 53 HD12 LEU 53 12.245 8.509 10.106
417 HD13 LEU 53 HD13 LEU 53 10.877 9.240 10.976
418 HD21 LEU 53 HD21 LEU 53 11.760 7.773 14.287
419 HD22 LEU 53 HD22 LEU 53 12.359 9.341 13.713
420 HD23 LEU 53 HD23 LEU 53 10.668 8.919 13.448
421 H ARG 54 H ARG 54 7.957 5.216 12.212
422 HA ARG 54 HA ARG 54 8.272 2.802 10.569
423 HB2 ARG 54 HB2 ARG 54 5.931 3.814 12.254
424 HB3 ARG 54 HB3 ARG 54 6.057 2.202 11.547
425 HG2 ARG 54 HG2 ARG 54 7.907 1.575 12.905
426 HG3 ARG 54 HG3 ARG 54 8.183 3.220 13.477
427 HD2 ARG 54 HD2 ARG 54 5.671 1.636 14.110
428 HD3 ARG 54 HD3 ARG 54 7.093 1.752 15.163
429 HE ARG 54 HE ARG 54 5.870 4.299 14.253
430 HH11 ARG 54 HH11 ARG 54 6.488 2.231 17.042
431 HH12 ARG 54 HH12 ARG 54 6.013 3.503 18.139
432 HH21 ARG 54 HH21 ARG 54 5.032 5.672 15.660
433 HH22 ARG 54 HH22 ARG 54 5.379 5.473 17.378
434 H SER 55 H SER 55 6.662 5.865 10.208
435 HA SER 55 HA SER 55 5.482 4.986 7.588
436 HB2 SER 55 HB2 SER 55 4.395 7.024 9.559
437 HB3 SER 55 HB3 SER 55 3.687 6.609 7.982
438 HG SER 55 HG SER 55 2.695 5.482 9.721
439 H GLY 56 H GLY 56 7.689 7.181 9.076
440 HA2 GLY 56 HA2 GLY 56 9.082 8.745 8.124
441 HA3 GLY 56 HA3 GLY 56 8.328 8.488 6.540
442 H VAL 57 H VAL 57 6.549 9.365 9.504
443 HA VAL 57 HA VAL 57 5.601 11.835 8.118
444 HB VAL 57 HB VAL 57 4.263 10.166 10.256
445 HG11 VAL 57 HG11 VAL 57 3.619 12.525 10.583
446 HG12 VAL 57 HG12 VAL 57 3.297 12.695 8.844
447 HG13 VAL 57 HG13 VAL 57 2.283 11.647 9.849
448 HG21 VAL 57 HG21 VAL 57 4.210 9.157 7.991
449 HG22 VAL 57 HG22 VAL 57 2.607 9.708 8.482
450 HG23 VAL 57 HG23 VAL 57 3.558 10.668 7.327
451 H ILE 58 H ILE 58 6.094 13.720 8.789
452 HA ILE 58 HA ILE 58 7.013 14.284 11.578
453 HB ILE 58 HB ILE 58 7.332 15.742 8.935
454 HG12 ILE 58 HG12 ILE 58 9.437 14.840 10.938
455 HG13 ILE 58 HG13 ILE 58 8.921 13.865 9.563
456 HG21 ILE 58 HG21 ILE 58 6.795 17.477 10.561
457 HG22 ILE 58 HG22 ILE 58 7.978 16.811 11.724
458 HG23 ILE 58 HG23 ILE 58 8.506 17.554 10.197
459 HD11 ILE 58 HD11 ILE 58 9.660 15.732 8.041
460 HD12 ILE 58 HD12 ILE 58 10.370 16.527 9.472
461 HD13 ILE 58 HD13 ILE 58 10.953 14.939 8.968
462 H SER 59 H SER 59 5.393 14.853 12.874
463 HA SER 59 HA SER 59 2.873 16.014 11.764
464 HB2 SER 59 HB2 SER 59 2.750 13.881 13.053
465 HB3 SER 59 HB3 SER 59 3.423 14.742 14.452
466 HG SER 59 HG SER 59 1.123 14.686 14.511
467 H LEU 60 H LEU 60 2.445 18.119 12.093
468 HA LEU 60 HA LEU 60 4.085 19.660 14.051
469 HB2 LEU 60 HB2 LEU 60 2.350 20.751 11.842
470 HB3 LEU 60 HB3 LEU 60 3.554 21.607 12.793
471 HG LEU 60 HG LEU 60 4.072 19.478 10.679
472 HD11 LEU 60 HD11 LEU 60 3.490 21.686 9.818
473 HD12 LEU 60 HD12 LEU 60 4.728 22.440 10.841
474 HD13 LEU 60 HD13 LEU 60 5.200 21.345 9.527
475 HD21 LEU 60 HD21 LEU 60 6.063 20.905 12.477
476 HD22 LEU 60 HD22 LEU 60 5.762 19.159 12.412
477 HD23 LEU 60 HD23 LEU 60 6.487 19.956 11.029
478 H ILE 61 H ILE 61 3.196 21.215 15.388
479 HA ILE 61 HA ILE 61 0.287 21.144 15.992
480 HB ILE 61 HB ILE 61 0.761 21.023 18.408
481 HG12 ILE 61 HG12 ILE 61 2.956 19.781 19.045
482 HG13 ILE 61 HG13 ILE 61 3.643 20.456 17.590
483 HG21 ILE 61 HG21 ILE 61 0.989 18.618 18.519
484 HG22 ILE 61 HG22 ILE 61 0.036 19.058 17.101
485 HG23 ILE 61 HG23 ILE 61 1.729 18.566 16.911
486 HD11 ILE 61 HD11 ILE 61 2.420 22.061 19.872
487 HD12 ILE 61 HD12 ILE 61 4.150 21.765 19.637
488 HD13 ILE 61 HD13 ILE 61 3.272 22.740 18.460
489 H GLU 62 H GLU 62 -0.435 22.997 17.298
490 HA GLU 62 HA GLU 62 0.753 25.452 16.377
491 HB2 GLU 62 HB2 GLU 62 -1.360 25.088 18.541
492 HB3 GLU 62 HB3 GLU 62 -0.957 26.554 17.663
493 HG2 GLU 62 HG2 GLU 62 -2.781 25.962 16.482
494 HG3 GLU 62 HG3 GLU 62 -1.565 25.161 15.507
495 H GLU 63 H GLU 63 2.191 26.799 17.255
496 HA GLU 63 HA GLU 63 3.659 25.914 19.627
497 HB2 GLU 63 HB2 GLU 63 5.320 27.430 18.988
498 HB3 GLU 63 HB3 GLU 63 4.695 26.711 17.519
499 HG2 GLU 63 HG2 GLU 63 4.703 28.836 16.748
500 HG3 GLU 63 HG3 GLU 63 3.126 28.913 17.532
501 H GLN 64 H GLN 64 1.043 28.069 19.202
502 HA GLN 64 HA GLN 64 1.054 28.553 22.074
503 HB2 GLN 64 HB2 GLN 64 0.624 30.889 21.995
504 HB3 GLN 64 HB3 GLN 64 2.150 30.562 21.171
505 HG2 GLN 64 HG2 GLN 64 0.963 30.766 18.970
506 HG3 GLN 64 HG3 GLN 64 -0.519 31.209 19.823
507 HE21 GLN 64 HE21 GLN 64 2.896 32.229 19.313
508 HE22 GLN 64 HE22 GLN 64 2.576 33.942 19.647
509 H ASN 65 H ASN 65 -1.016 28.877 22.936
510 HA ASN 65 HA ASN 65 -3.097 27.546 21.339
511 HB2 ASN 65 HB2 ASN 65 -2.909 28.096 24.324
512 HB3 ASN 65 HB3 ASN 65 -4.118 27.081 23.538
513 HD21 ASN 65 HD21 ASN 65 -3.459 25.040 22.585
514 HD22 ASN 65 HD22 ASN 65 -1.951 24.299 23.110
515 H ARG 66 H ARG 66 -2.746 30.256 20.595
516 HA ARG 66 HA ARG 66 -5.447 31.352 21.031
517 HB2 ARG 66 HB2 ARG 66 -4.694 33.538 21.754
518 HB3 ARG 66 HB3 ARG 66 -4.180 32.296 22.903
519 HG2 ARG 66 HG2 ARG 66 -1.898 32.337 21.885
520 HG3 ARG 66 HG3 ARG 66 -2.417 33.640 20.811
521 HD2 ARG 66 HD2 ARG 66 -2.399 33.789 23.849
522 HD3 ARG 66 HD3 ARG 66 -1.129 34.399 22.808
523 HE ARG 66 HE ARG 66 -2.594 36.074 21.932
524 HH11 ARG 66 HH11 ARG 66 -4.032 34.460 24.692
525 HH12 ARG 66 HH12 ARG 66 -5.167 35.751 24.958
526 HH21 ARG 66 HH21 ARG 66 -4.059 37.665 22.327
527 HH22 ARG 66 HH22 ARG 66 -5.186 37.508 23.642
528 H1 GLY -3 H1 GLY -3 24.615 4.823 -2.242
529 H2 GLY -3 H2 GLY -3 23.441 4.644 -3.367
530 H3 GLY -3 H3 GLY -3 24.084 3.324 -2.638
531 HA2 GLY -3 HA2 GLY -3 21.901 3.772 -1.730
532 HA3 GLY -3 HA3 GLY -3 23.181 3.948 -0.518
533 HA PRO -2 HA PRO -2 20.967 8.144 -1.765
534 HB2 PRO -2 HB2 PRO -2 18.562 7.257 -0.173
535 HB3 PRO -2 HB3 PRO -2 18.629 8.330 -1.604
536 HG2 PRO -2 HG2 PRO -2 17.856 5.759 -1.891
537 HG3 PRO -2 HG3 PRO -2 19.025 6.462 -3.069
538 HD2 PRO -2 HD2 PRO -2 19.592 4.734 -0.640
539 HD3 PRO -2 HD3 PRO -2 20.213 4.571 -2.313
540 H GLY -1 H GLY -1 21.031 6.378 1.292
541 HA2 GLY -1 HA2 GLY -1 21.789 7.015 3.395
542 HA3 GLY -1 HA3 GLY -1 22.089 8.643 2.790
543 H SER 0 H SER 0 19.162 8.772 1.863
544 HA SER 0 HA SER 0 17.902 9.704 4.313
545 HB2 SER 0 HB2 SER 0 16.068 10.294 2.743
546 HB3 SER 0 HB3 SER 0 17.650 10.901 2.210
547 HG SER 0 HG SER 0 16.573 9.920 0.473
548 H MET 1 H MET 1 18.032 6.665 2.812
549 HA MET 1 HA MET 1 15.426 5.613 3.460
550 HB2 MET 1 HB2 MET 1 16.408 3.467 2.866
551 HB3 MET 1 HB3 MET 1 16.875 4.704 1.698
552 HG2 MET 1 HG2 MET 1 19.062 4.938 2.972
553 HG3 MET 1 HG3 MET 1 18.593 3.533 3.934
554 HE1 MET 1 HE1 MET 1 18.731 0.602 1.367
555 HE2 MET 1 HE2 MET 1 18.552 1.086 3.066
556 HE3 MET 1 HE3 MET 1 17.292 1.503 1.875
557 H CYS 2 H CYS 2 15.064 3.800 4.930
558 HA CYS 2 HA CYS 2 14.879 2.834 6.956
559 HB2 CYS 2 HB2 CYS 2 17.872 3.318 7.167
560 HB3 CYS 2 HB3 CYS 2 16.926 2.134 8.090
561 HG CYS 2 HG CYS 2 18.280 0.842 6.262
562 H MET 3 H MET 3 15.733 3.061 9.436
563 HA MET 3 HA MET 3 14.220 5.185 10.520
564 HB2 MET 3 HB2 MET 3 16.209 3.199 11.651
565 HB3 MET 3 HB3 MET 3 15.476 4.402 12.696
566 HG2 MET 3 HG2 MET 3 13.274 3.634 12.328
567 HG3 MET 3 HG3 MET 3 13.743 2.655 10.933
568 HE1 MET 3 HE1 MET 3 16.140 0.904 11.624
569 HE2 MET 3 HE2 MET 3 15.311 -0.507 12.306
570 HE3 MET 3 HE3 MET 3 14.594 0.359 10.931
571 H ALA 4 H ALA 4 14.827 6.780 12.060
572 HA ALA 4 HA ALA 4 16.921 8.546 11.095
573 HB1 ALA 4 HB1 ALA 4 14.967 8.757 13.423
574 HB2 ALA 4 HB2 ALA 4 16.006 10.071 12.834
575 HB3 ALA 4 HB3 ALA 4 14.759 9.410 11.773
576 H LYS 5 H LYS 5 18.293 9.690 12.664
577 HA LYS 5 HA LYS 5 19.114 8.201 15.081
578 HB2 LYS 5 HB2 LYS 5 21.495 8.693 14.713
579 HB3 LYS 5 HB3 LYS 5 20.815 7.523 13.590
580 HG2 LYS 5 HG2 LYS 5 20.683 9.284 11.824
581 HG3 LYS 5 HG3 LYS 5 21.411 10.449 12.948
582 HD2 LYS 5 HD2 LYS 5 23.424 9.037 13.135
583 HD3 LYS 5 HD3 LYS 5 22.725 7.841 12.045
584 HE2 LYS 5 HE2 LYS 5 23.298 10.740 11.272
585 HE3 LYS 5 HE3 LYS 5 24.434 9.423 11.037
586 HZ1 LYS 5 HZ1 LYS 5 23.121 9.863 9.026
587 HZ2 LYS 5 HZ2 LYS 5 22.854 8.343 9.561
588 HZ3 LYS 5 HZ3 LYS 5 21.740 9.517 9.776
589 H VAL 6 H VAL 6 19.452 9.432 16.825
590 HA VAL 6 HA VAL 6 18.726 12.322 16.579
591 HB VAL 6 HB VAL 6 18.374 10.316 18.807
592 HG11 VAL 6 HG11 VAL 6 17.991 13.324 19.010
593 HG12 VAL 6 HG12 VAL 6 17.396 12.136 20.188
594 HG13 VAL 6 HG13 VAL 6 19.125 12.340 19.952
595 HG21 VAL 6 HG21 VAL 6 16.663 10.589 16.918
596 HG22 VAL 6 HG22 VAL 6 16.065 10.733 18.582
597 HG23 VAL 6 HG23 VAL 6 16.335 12.188 17.603
598 H VAL 7 H VAL 7 19.987 13.910 17.390
599 HA VAL 7 HA VAL 7 22.323 13.220 19.083
600 HB VAL 7 HB VAL 7 23.243 13.458 16.857
601 HG11 VAL 7 HG11 VAL 7 23.204 15.574 15.616
602 HG12 VAL 7 HG12 VAL 7 21.569 14.946 15.809
603 HG13 VAL 7 HG13 VAL 7 22.122 16.296 16.822
604 HG21 VAL 7 HG21 VAL 7 24.542 14.292 18.828
605 HG22 VAL 7 HG22 VAL 7 24.961 15.078 17.306
606 HG23 VAL 7 HG23 VAL 7 23.959 15.935 18.490
607 H LEU 8 H LEU 8 22.731 14.527 20.730
608 HA LEU 8 HA LEU 8 21.438 17.150 21.036
609 HB2 LEU 8 HB2 LEU 8 20.282 16.546 23.057
610 HB3 LEU 8 HB3 LEU 8 19.698 15.557 21.736
611 HG LEU 8 HG LEU 8 21.891 14.388 23.437
612 HD11 LEU 8 HD11 LEU 8 20.443 15.422 25.123
613 HD12 LEU 8 HD12 LEU 8 19.023 14.627 24.391
614 HD13 LEU 8 HD13 LEU 8 20.304 13.659 25.154
615 HD21 LEU 8 HD21 LEU 8 19.299 13.241 22.308
616 HD22 LEU 8 HD22 LEU 8 20.913 13.037 21.597
617 HD23 LEU 8 HD23 LEU 8 20.543 12.325 23.172
618 H THR 9 H THR 9 22.035 18.145 23.151
619 HA THR 9 HA THR 9 24.639 17.175 24.244
620 HB THR 9 HB THR 9 24.043 20.128 24.140
621 HG1 THR 9 HG1 THR 9 23.958 19.556 22.022
622 HG21 THR 9 HG21 THR 9 25.911 19.298 25.550
623 HG22 THR 9 HG22 THR 9 26.621 18.492 24.139
624 HG23 THR 9 HG23 THR 9 26.501 20.265 24.194
625 H LYS 10 H LYS 10 24.664 16.937 26.390
626 HA LYS 10 HA LYS 10 22.301 17.448 28.029
627 HB2 LYS 10 HB2 LYS 10 25.097 16.424 28.705
628 HB3 LYS 10 HB3 LYS 10 23.738 16.480 29.838
629 HG2 LYS 10 HG2 LYS 10 22.422 14.990 28.380
630 HG3 LYS 10 HG3 LYS 10 23.759 14.886 27.238
631 HD2 LYS 10 HD2 LYS 10 23.875 13.978 30.144
632 HD3 LYS 10 HD3 LYS 10 23.580 12.925 28.764
633 HE2 LYS 10 HE2 LYS 10 25.793 13.560 27.798
634 HE3 LYS 10 HE3 LYS 10 26.108 14.562 29.229
635 HZ1 LYS 10 HZ1 LYS 10 25.944 12.555 30.599
636 HZ2 LYS 10 HZ2 LYS 10 25.657 11.626 29.283
637 HZ3 LYS 10 HZ3 LYS 10 27.103 12.364 29.473
638 H ALA 11 H ALA 11 22.353 18.585 30.093
639 HA ALA 11 HA ALA 11 23.205 21.301 29.906
640 HB1 ALA 11 HB1 ALA 11 21.292 20.494 31.268
641 HB2 ALA 11 HB2 ALA 11 22.416 19.636 32.345
642 HB3 ALA 11 HB3 ALA 11 22.450 21.403 32.254
643 H ASP 12 H ASP 12 24.914 18.477 31.105
644 HA ASP 12 HA ASP 12 27.093 19.928 32.406
645 HB2 ASP 12 HB2 ASP 12 26.861 17.053 31.439
646 HB3 ASP 12 HB3 ASP 12 28.160 17.686 32.448
647 H GLY 13 H GLY 13 26.311 19.772 29.167
648 HA2 GLY 13 HA2 GLY 13 27.480 20.570 27.344
649 HA3 GLY 13 HA3 GLY 13 28.994 20.510 28.252
650 H GLY 14 H GLY 14 27.646 17.483 28.630
651 HA2 GLY 14 HA2 GLY 14 29.474 16.218 26.750
652 HA3 GLY 14 HA3 GLY 14 28.379 15.409 27.855
653 H ARG 15 H ARG 15 29.032 15.309 24.801
654 HA ARG 15 HA ARG 15 26.415 15.612 23.502
655 HB2 ARG 15 HB2 ARG 15 29.170 14.648 22.684
656 HB3 ARG 15 HB3 ARG 15 27.792 14.223 21.672
657 HG2 ARG 15 HG2 ARG 15 28.151 17.073 22.577
658 HG3 ARG 15 HG3 ARG 15 29.126 16.473 21.227
659 HD2 ARG 15 HD2 ARG 15 27.264 16.140 19.834
660 HD3 ARG 15 HD3 ARG 15 26.141 16.011 21.185
661 HE ARG 15 HE ARG 15 25.968 18.307 21.386
662 HH11 ARG 15 HH11 ARG 15 28.407 17.725 18.921
663 HH12 ARG 15 HH12 ARG 15 28.475 19.424 18.509
664 HH21 ARG 15 HH21 ARG 15 26.089 20.334 20.850
665 HH22 ARG 15 HH22 ARG 15 27.160 20.894 19.575
666 H VAL 16 H VAL 16 25.110 14.081 22.735
667 HA VAL 16 HA VAL 16 25.552 11.220 23.383
668 HB VAL 16 HB VAL 16 22.996 12.682 24.118
669 HG11 VAL 16 HG11 VAL 16 22.197 10.507 24.972
670 HG12 VAL 16 HG12 VAL 16 22.425 10.473 23.227
671 HG13 VAL 16 HG13 VAL 16 23.634 9.716 24.296
672 HG21 VAL 16 HG21 VAL 16 25.024 11.255 25.872
673 HG22 VAL 16 HG22 VAL 16 24.667 12.999 25.841
674 HG23 VAL 16 HG23 VAL 16 23.448 11.867 26.409
675 H GLU 17 H GLU 17 24.893 9.876 21.833
676 HA GLU 17 HA GLU 17 23.233 10.845 19.563
677 HB2 GLU 17 HB2 GLU 17 25.863 9.342 19.356
678 HB3 GLU 17 HB3 GLU 17 24.711 9.567 18.027
679 HG2 GLU 17 HG2 GLU 17 24.957 12.011 18.209
680 HG3 GLU 17 HG3 GLU 17 26.144 11.818 19.499
681 H ILE 18 H ILE 18 21.813 9.369 18.736
682 HA ILE 18 HA ILE 18 21.697 6.637 19.968
683 HB ILE 18 HB ILE 18 19.375 8.569 19.714
684 HG12 ILE 18 HG12 ILE 18 20.748 7.690 22.299
685 HG13 ILE 18 HG13 ILE 18 20.989 9.255 21.512
686 HG21 ILE 18 HG21 ILE 18 18.091 6.878 20.972
687 HG22 ILE 18 HG22 ILE 18 18.736 6.167 19.494
688 HG23 ILE 18 HG23 ILE 18 19.522 5.830 21.046
689 HD11 ILE 18 HD11 ILE 18 18.400 8.288 22.715
690 HD12 ILE 18 HD12 ILE 18 19.456 9.601 23.257
691 HD13 ILE 18 HD13 ILE 18 18.588 9.779 21.729
692 H GLY 19 H GLY 19 21.484 5.099 18.493
693 HA2 GLY 19 HA2 GLY 19 20.786 5.757 15.679
694 HA3 GLY 19 HA3 GLY 19 21.615 4.322 16.256
695 H ASP 20 H ASP 20 19.588 4.156 14.434
696 HA ASP 20 HA ASP 20 17.597 3.225 13.880
697 HB2 ASP 20 HB2 ASP 20 17.994 1.349 16.205
698 HB3 ASP 20 HB3 ASP 20 17.166 1.077 14.673
699 H VAL 21 H VAL 21 17.034 5.524 15.026
700 HA VAL 21 HA VAL 21 15.143 5.311 17.240
701 HB VAL 21 HB VAL 21 15.908 7.644 15.459
702 HG11 VAL 21 HG11 VAL 21 13.632 8.025 16.254
703 HG12 VAL 21 HG12 VAL 21 14.101 7.563 17.914
704 HG13 VAL 21 HG13 VAL 21 14.763 9.032 17.150
705 HG21 VAL 21 HG21 VAL 21 17.673 6.826 16.996
706 HG22 VAL 21 HG22 VAL 21 17.072 8.403 17.483
707 HG23 VAL 21 HG23 VAL 21 16.543 6.949 18.362
708 H LEU 22 H LEU 22 13.119 4.818 17.153
709 HA LEU 22 HA LEU 22 11.834 4.270 14.553
710 HB2 LEU 22 HB2 LEU 22 12.229 2.597 16.492
711 HB3 LEU 22 HB3 LEU 22 11.014 3.504 17.376
712 HG LEU 22 HG LEU 22 9.372 2.959 15.514
713 HD11 LEU 22 HD11 LEU 22 10.951 2.418 13.698
714 HD12 LEU 22 HD12 LEU 22 11.635 1.098 14.657
715 HD13 LEU 22 HD13 LEU 22 9.962 1.013 14.066
716 HD21 LEU 22 HD21 LEU 22 10.676 0.596 16.926
717 HD22 LEU 22 HD22 LEU 22 9.457 1.677 17.638
718 HD23 LEU 22 HD23 LEU 22 9.031 0.640 16.268
719 H GLU 23 H GLU 23 11.400 6.266 17.451
720 HA GLU 23 HA GLU 23 9.615 8.087 16.057
721 HB2 GLU 23 HB2 GLU 23 7.960 6.488 16.825
722 HB3 GLU 23 HB3 GLU 23 8.624 6.485 18.458
723 HG2 GLU 23 HG2 GLU 23 7.893 8.772 18.836
724 HG3 GLU 23 HG3 GLU 23 7.425 8.944 17.138
725 H VAL 24 H VAL 24 9.603 10.160 16.974
726 HA VAL 24 HA VAL 24 10.704 10.502 19.715
727 HB VAL 24 HB VAL 24 11.966 12.434 19.268
728 HG11 VAL 24 HG11 VAL 24 13.814 11.612 17.965
729 HG12 VAL 24 HG12 VAL 24 13.094 10.232 18.819
730 HG13 VAL 24 HG13 VAL 24 12.778 10.462 17.098
731 HG21 VAL 24 HG21 VAL 24 11.288 12.250 16.337
732 HG22 VAL 24 HG22 VAL 24 10.657 13.478 17.455
733 HG23 VAL 24 HG23 VAL 24 12.380 13.425 17.089
734 H ARG 25 H ARG 25 9.877 12.266 20.864
735 HA ARG 25 HA ARG 25 7.573 13.792 19.707
736 HB2 ARG 25 HB2 ARG 25 7.458 12.267 22.349
737 HB3 ARG 25 HB3 ARG 25 6.213 13.336 21.694
738 HG2 ARG 25 HG2 ARG 25 5.955 11.787 19.751
739 HG3 ARG 25 HG3 ARG 25 7.121 10.681 20.507
740 HD2 ARG 25 HD2 ARG 25 5.624 10.451 22.461
741 HD3 ARG 25 HD3 ARG 25 4.477 11.582 21.716
742 HE ARG 25 HE ARG 25 4.956 9.522 19.824
743 HH11 ARG 25 HH11 ARG 25 3.397 9.702 22.972
744 HH12 ARG 25 HH12 ARG 25 2.409 8.296 22.642
745 HH21 ARG 25 HH21 ARG 25 3.843 7.779 19.527
746 HH22 ARG 25 HH22 ARG 25 2.675 7.186 20.705
747 H ALA 26 H ALA 26 7.328 15.820 20.489
748 HA ALA 26 HA ALA 26 9.173 16.801 22.633
749 HB1 ALA 26 HB1 ALA 26 9.330 18.051 20.530
750 HB2 ALA 26 HB2 ALA 26 7.573 18.330 20.545
751 HB3 ALA 26 HB3 ALA 26 8.613 19.047 21.808
752 H GLU 27 H GLU 27 8.282 17.129 24.606
753 HA GLU 27 HA GLU 27 5.373 17.533 24.963
754 HB2 GLU 27 HB2 GLU 27 5.705 15.068 24.565
755 HB3 GLU 27 HB3 GLU 27 6.766 15.011 25.972
756 HG2 GLU 27 HG2 GLU 27 4.861 15.792 27.402
757 HG3 GLU 27 HG3 GLU 27 3.842 15.876 25.964
758 H GLY 28 H GLY 28 5.036 18.843 26.690
759 HA2 GLY 28 HA2 GLY 28 5.210 19.821 28.738
760 HA3 GLY 28 HA3 GLY 28 5.934 18.301 29.274
761 H GLY 29 H GLY 29 7.489 20.489 26.934
762 HA2 GLY 29 HA2 GLY 29 9.387 21.824 27.097
763 HA3 GLY 29 HA3 GLY 29 9.332 21.727 28.853
764 H ALA 30 H ALA 30 9.326 18.764 26.985
765 HA ALA 30 HA ALA 30 12.240 18.313 27.239
766 HB1 ALA 30 HB1 ALA 30 11.053 17.397 29.276
767 HB2 ALA 30 HB2 ALA 30 10.066 16.399 28.210
768 HB3 ALA 30 HB3 ALA 30 11.816 16.129 28.292
769 H VAL 31 H VAL 31 12.905 16.358 26.030
770 HA VAL 31 HA VAL 31 11.031 15.608 23.812
771 HB VAL 31 HB VAL 31 14.045 15.790 23.667
772 HG11 VAL 31 HG11 VAL 31 13.439 13.760 22.454
773 HG12 VAL 31 HG12 VAL 31 12.069 14.584 21.674
774 HG13 VAL 31 HG13 VAL 31 13.729 15.031 21.271
775 HG21 VAL 31 HG21 VAL 31 12.721 17.881 23.302
776 HG22 VAL 31 HG22 VAL 31 13.587 17.371 21.864
777 HG23 VAL 31 HG23 VAL 31 11.837 17.076 21.992
778 H ARG 32 H ARG 32 10.621 13.546 23.464
779 HA ARG 32 HA ARG 32 11.997 11.444 25.108
780 HB2 ARG 32 HB2 ARG 32 9.081 11.611 24.247
781 HB3 ARG 32 HB3 ARG 32 9.829 10.174 24.963
782 HG2 ARG 32 HG2 ARG 32 10.270 11.346 27.045
783 HG3 ARG 32 HG3 ARG 32 9.774 12.887 26.346
784 HD2 ARG 32 HD2 ARG 32 7.969 12.113 27.704
785 HD3 ARG 32 HD3 ARG 32 7.479 11.971 26.010
786 HE ARG 32 HE ARG 32 8.642 9.487 26.969
787 HH11 ARG 32 HH11 ARG 32 5.593 11.279 27.115
788 HH12 ARG 32 HH12 ARG 32 4.718 9.820 27.527
789 HH21 ARG 32 HH21 ARG 32 7.530 7.810 27.430
790 HH22 ARG 32 HH22 ARG 32 5.779 7.850 27.684
791 H VAL 33 H VAL 33 12.578 9.599 24.072
792 HA VAL 33 HA VAL 33 12.065 9.351 21.138
793 HB VAL 33 HB VAL 33 14.307 9.024 20.533
794 HG11 VAL 33 HG11 VAL 33 14.429 11.444 22.379
795 HG12 VAL 33 HG12 VAL 33 15.327 11.176 20.882
796 HG13 VAL 33 HG13 VAL 33 13.579 11.443 20.818
797 HG21 VAL 33 HG21 VAL 33 15.231 7.843 22.446
798 HG22 VAL 33 HG22 VAL 33 16.218 9.254 22.076
799 HG23 VAL 33 HG23 VAL 33 15.087 9.314 23.447
800 H THR 34 H THR 34 11.992 7.337 20.299
801 HA THR 34 HA THR 34 12.244 5.016 22.180
802 HB THR 34 HB THR 34 10.076 5.495 20.107
803 HG1 THR 34 HG1 THR 34 9.805 6.691 21.995
804 HG21 THR 34 HG21 THR 34 10.561 3.087 20.298
805 HG22 THR 34 HG22 THR 34 10.467 3.194 22.070
806 HG23 THR 34 HG23 THR 34 9.023 3.482 21.077
807 H THR 35 H THR 35 13.354 3.279 21.408
808 HA THR 35 HA THR 35 14.543 3.527 18.678
809 HB THR 35 HB THR 35 16.297 2.084 19.440
810 HG1 THR 35 HG1 THR 35 16.302 1.432 21.657
811 HG21 THR 35 HG21 THR 35 17.346 3.464 21.137
812 HG22 THR 35 HG22 THR 35 16.467 4.506 20.015
813 HG23 THR 35 HG23 THR 35 15.778 4.155 21.623
814 H LEU 36 H LEU 36 15.064 1.582 17.518
815 HA LEU 36 HA LEU 36 13.076 -0.200 16.787
816 HB2 LEU 36 HB2 LEU 36 15.197 0.252 15.626
817 HB3 LEU 36 HB3 LEU 36 16.107 -0.492 16.942
818 HG LEU 36 HG LEU 36 15.082 -2.705 16.369
819 HD11 LEU 36 HD11 LEU 36 13.955 -2.883 14.129
820 HD12 LEU 36 HD12 LEU 36 13.013 -1.932 15.295
821 HD13 LEU 36 HD13 LEU 36 13.957 -1.109 14.036
822 HD21 LEU 36 HD21 LEU 36 17.283 -2.066 15.514
823 HD22 LEU 36 HD22 LEU 36 16.400 -3.047 14.327
824 HD23 LEU 36 HD23 LEU 36 16.529 -1.289 14.106
825 H PHE 37 H PHE 37 15.280 -0.521 19.507
826 HA PHE 37 HA PHE 37 14.682 -3.312 20.058
827 HB2 PHE 37 HB2 PHE 37 16.201 -1.323 21.767
828 HB3 PHE 37 HB3 PHE 37 16.327 -3.084 21.792
829 HD1 PHE 37 HD1 PHE 37 16.997 -4.200 19.453
830 HD2 PHE 37 HD2 PHE 37 17.800 -0.092 20.517
831 HE1 PHE 37 HE1 PHE 37 18.702 -4.061 17.654
832 HE2 PHE 37 HE2 PHE 37 19.504 0.032 18.728
833 HZ PHE 37 HZ PHE 37 19.955 -1.941 17.281
834 H ASP 38 H ASP 38 12.698 -0.821 20.478
835 HA ASP 38 HA ASP 38 10.973 -0.260 21.734
836 HB2 ASP 38 HB2 ASP 38 10.409 -2.691 21.393
837 HB3 ASP 38 HB3 ASP 38 11.031 -3.015 23.013
838 H GLU 39 H GLU 39 13.730 0.132 22.760
839 HA GLU 39 HA GLU 39 13.186 0.707 25.624
840 HB2 GLU 39 HB2 GLU 39 15.651 1.110 23.876
841 HB3 GLU 39 HB3 GLU 39 15.488 1.831 25.467
842 HG2 GLU 39 HG2 GLU 39 15.404 -1.129 24.843
843 HG3 GLU 39 HG3 GLU 39 16.767 -0.243 25.534
844 H GLU 40 H GLU 40 13.391 2.832 26.419
845 HA GLU 40 HA GLU 40 12.718 5.027 24.557
846 HB2 GLU 40 HB2 GLU 40 10.625 3.956 25.181
847 HB3 GLU 40 HB3 GLU 40 10.959 4.181 26.895
848 HG2 GLU 40 HG2 GLU 40 11.008 6.610 25.115
849 HG3 GLU 40 HG3 GLU 40 9.456 5.814 25.350
850 H HIS 41 H HIS 41 13.358 7.014 25.190
851 HA HIS 41 HA HIS 41 14.703 7.373 27.826
852 HB2 HIS 41 HB2 HIS 41 15.933 8.212 25.177
853 HB3 HIS 41 HB3 HIS 41 16.640 8.367 26.778
854 HD2 HIS 41 HD2 HIS 41 16.295 5.980 23.870
855 HE1 HIS 41 HE1 HIS 41 18.217 3.723 26.932
856 HE2 HIS 41 HE2 HIS 41 17.557 3.749 24.466
857 H ALA 42 H ALA 42 14.949 9.576 28.474
858 HA ALA 42 HA ALA 42 13.289 11.576 27.038
859 HB1 ALA 42 HB1 ALA 42 12.946 10.854 29.981
860 HB2 ALA 42 HB2 ALA 42 12.078 12.128 29.100
861 HB3 ALA 42 HB3 ALA 42 11.812 10.419 28.687
862 H PHE 43 H PHE 43 13.887 13.625 27.219
863 HA PHE 43 HA PHE 43 16.316 14.340 28.812
864 HB2 PHE 43 HB2 PHE 43 15.838 14.872 25.883
865 HB3 PHE 43 HB3 PHE 43 17.240 15.356 26.835
866 HD1 PHE 43 HD1 PHE 43 15.836 12.806 24.734
867 HD2 PHE 43 HD2 PHE 43 18.625 13.446 27.963
868 HE1 PHE 43 HE1 PHE 43 16.948 10.639 24.213
869 HE2 PHE 43 HE2 PHE 43 19.716 11.268 27.456
870 HZ PHE 43 HZ PHE 43 18.867 9.864 25.585
871 HA PRO 44 HA PRO 44 13.216 17.634 29.599
872 HB2 PRO 44 HB2 PRO 44 15.070 17.971 31.944
873 HB3 PRO 44 HB3 PRO 44 13.282 18.053 31.893
874 HG2 PRO 44 HG2 PRO 44 14.491 15.828 32.829
875 HG3 PRO 44 HG3 PRO 44 13.098 15.672 31.703
876 HD2 PRO 44 HD2 PRO 44 16.061 15.507 31.060
877 HD3 PRO 44 HD3 PRO 44 14.728 14.416 30.560
878 H GLY 45 H GLY 45 13.272 19.800 29.219
879 HA2 GLY 45 HA2 GLY 45 14.105 21.942 28.939
880 HA3 GLY 45 HA3 GLY 45 15.740 21.379 29.295
881 H LEU 46 H LEU 46 14.301 19.438 26.883
882 HA LEU 46 HA LEU 46 15.646 20.972 24.702
883 HB2 LEU 46 HB2 LEU 46 15.093 17.988 24.913
884 HB3 LEU 46 HB3 LEU 46 15.818 18.802 23.527
885 HG LEU 46 HG LEU 46 17.048 18.521 26.310
886 HD11 LEU 46 HD11 LEU 46 18.665 17.133 25.187
887 HD12 LEU 46 HD12 LEU 46 17.047 16.535 24.751
888 HD13 LEU 46 HD13 LEU 46 17.969 17.501 23.592
889 HD21 LEU 46 HD21 LEU 46 18.149 19.934 23.840
890 HD22 LEU 46 HD22 LEU 46 17.765 20.675 25.417
891 HD23 LEU 46 HD23 LEU 46 19.092 19.514 25.291
892 H ALA 47 H ALA 47 14.799 20.885 22.616
893 HA ALA 47 HA ALA 47 12.081 19.857 22.115
894 HB1 ALA 47 HB1 ALA 47 11.480 21.928 20.881
895 HB2 ALA 47 HB2 ALA 47 11.699 22.225 22.609
896 HB3 ALA 47 HB3 ALA 47 12.973 22.693 21.460
897 H ILE 48 H ILE 48 11.718 19.525 19.760
898 HA ILE 48 HA ILE 48 14.124 18.627 18.357
899 HB ILE 48 HB ILE 48 11.240 18.834 17.420
900 HG12 ILE 48 HG12 ILE 48 12.638 16.206 18.017
901 HG13 ILE 48 HG13 ILE 48 11.939 17.130 19.350
902 HG21 ILE 48 HG21 ILE 48 12.749 18.840 15.485
903 HG22 ILE 48 HG22 ILE 48 13.652 17.460 16.144
904 HG23 ILE 48 HG23 ILE 48 11.976 17.260 15.605
905 HD11 ILE 48 HD11 ILE 48 9.724 17.128 18.185
906 HD12 ILE 48 HD12 ILE 48 10.432 16.080 16.929
907 HD13 ILE 48 HD13 ILE 48 10.325 15.516 18.602
908 H GLY 49 H GLY 49 15.472 20.038 17.409
909 HA2 GLY 49 HA2 GLY 49 14.626 22.780 16.728
910 HA3 GLY 49 HA3 GLY 49 16.270 22.108 16.669
911 H ARG 50 H ARG 50 15.986 19.954 15.005
912 HA ARG 50 HA ARG 50 14.658 20.690 12.499
913 HB2 ARG 50 HB2 ARG 50 16.735 20.668 11.141
914 HB3 ARG 50 HB3 ARG 50 16.616 22.055 12.231
915 HG2 ARG 50 HG2 ARG 50 18.252 21.147 13.732
916 HG3 ARG 50 HG3 ARG 50 18.198 19.562 12.947
917 HD2 ARG 50 HD2 ARG 50 20.241 20.900 12.438
918 HD3 ARG 50 HD3 ARG 50 19.367 20.284 11.053
919 HE ARG 50 HE ARG 50 19.468 23.134 11.980
920 HH11 ARG 50 HH11 ARG 50 18.658 20.889 9.339
921 HH12 ARG 50 HH12 ARG 50 18.415 22.235 8.233
922 HH21 ARG 50 HH21 ARG 50 19.181 24.718 10.420
923 HH22 ARG 50 HH22 ARG 50 18.787 24.248 8.790
924 H VAL 51 H VAL 51 14.815 19.175 10.856
925 HA VAL 51 HA VAL 51 15.810 16.451 11.538
926 HB VAL 51 HB VAL 51 13.166 16.881 10.108
927 HG11 VAL 51 HG11 VAL 51 12.915 14.468 10.496
928 HG12 VAL 51 HG12 VAL 51 14.431 14.777 9.642
929 HG13 VAL 51 HG13 VAL 51 14.459 14.423 11.375
930 HG21 VAL 51 HG21 VAL 51 13.589 16.175 13.042
931 HG22 VAL 51 HG22 VAL 51 12.750 17.609 12.405
932 HG23 VAL 51 HG23 VAL 51 12.054 16.018 12.150
933 H ASP 52 H ASP 52 17.362 16.083 10.111
934 HA ASP 52 HA ASP 52 17.274 17.282 7.367
935 HB2 ASP 52 HB2 ASP 52 19.602 16.094 8.885
936 HB3 ASP 52 HB3 ASP 52 19.663 16.846 7.289
937 H LEU 53 H LEU 53 15.853 15.826 6.372
938 HA LEU 53 HA LEU 53 15.928 12.999 6.778
939 HB2 LEU 53 HB2 LEU 53 14.685 14.625 4.516
940 HB3 LEU 53 HB3 LEU 53 14.432 12.921 4.767
941 HG LEU 53 HG LEU 53 12.533 14.060 5.497
942 HD11 LEU 53 HD11 LEU 53 13.193 12.111 6.838
943 HD12 LEU 53 HD12 LEU 53 14.051 13.170 7.977
944 HD13 LEU 53 HD13 LEU 53 12.293 13.287 7.801
945 HD21 LEU 53 HD21 LEU 53 14.075 15.652 7.545
946 HD22 LEU 53 HD22 LEU 53 13.533 16.279 5.968
947 HD23 LEU 53 HD23 LEU 53 12.347 15.735 7.156
948 H ARG 54 H ARG 54 17.913 14.919 4.724
949 HA ARG 54 HA ARG 54 18.679 13.018 2.719
950 HB2 ARG 54 HB2 ARG 54 20.457 15.100 4.039
951 HB3 ARG 54 HB3 ARG 54 20.671 14.357 2.449
952 HG2 ARG 54 HG2 ARG 54 18.517 15.444 1.707
953 HG3 ARG 54 HG3 ARG 54 18.441 16.265 3.270
954 HD2 ARG 54 HD2 ARG 54 20.846 17.121 2.728
955 HD3 ARG 54 HD3 ARG 54 20.515 16.593 1.085
956 HE ARG 54 HE ARG 54 18.990 18.374 0.819
957 HH11 ARG 54 HH11 ARG 54 19.970 18.303 4.225
958 HH12 ARG 54 HH12 ARG 54 19.223 19.890 4.484
959 HH21 ARG 54 HH21 ARG 54 18.103 20.392 1.390
960 HH22 ARG 54 HH22 ARG 54 18.271 20.925 3.069
961 H SER 55 H SER 55 19.523 13.146 6.081
962 HA SER 55 HA SER 55 21.071 10.602 5.836
963 HB2 SER 55 HB2 SER 55 22.591 12.552 6.033
964 HB3 SER 55 HB3 SER 55 21.831 12.969 7.574
965 HG SER 55 HG SER 55 23.871 11.676 7.560
966 H GLY 56 H GLY 56 18.343 12.000 7.079
967 HA2 GLY 56 HA2 GLY 56 16.792 11.346 8.633
968 HA3 GLY 56 HA3 GLY 56 17.737 9.881 8.936
969 H VAL 57 H VAL 57 19.133 13.114 9.355
970 HA VAL 57 HA VAL 57 19.717 12.465 12.174
971 HB VAL 57 HB VAL 57 20.605 14.790 10.450
972 HG11 VAL 57 HG11 VAL 57 20.554 15.586 12.766
973 HG12 VAL 57 HG12 VAL 57 21.348 14.088 13.322
974 HG13 VAL 57 HG13 VAL 57 22.215 15.258 12.298
975 HG21 VAL 57 HG21 VAL 57 22.127 12.432 11.628
976 HG22 VAL 57 HG22 VAL 57 21.616 12.550 9.927
977 HG23 VAL 57 HG23 VAL 57 22.788 13.702 10.566
978 H ILE 58 H ILE 58 18.407 12.930 13.737
979 HA ILE 58 HA ILE 58 16.616 15.337 13.673
980 HB ILE 58 HB ILE 58 16.701 12.835 15.379
981 HG12 ILE 58 HG12 ILE 58 14.418 13.953 13.698
982 HG13 ILE 58 HG13 ILE 58 15.599 12.808 13.075
983 HG21 ILE 58 HG21 ILE 58 14.958 15.314 15.793
984 HG22 ILE 58 HG22 ILE 58 14.744 13.756 16.631
985 HG23 ILE 58 HG23 ILE 58 16.198 14.685 16.904
986 HD11 ILE 58 HD11 ILE 58 13.632 12.305 15.327
987 HD12 ILE 58 HD12 ILE 58 13.638 11.578 13.719
988 HD13 ILE 58 HD13 ILE 58 14.934 11.182 14.868
989 H SER 59 H SER 59 17.428 17.141 14.585
990 HA SER 59 HA SER 59 19.627 16.891 16.630
991 HB2 SER 59 HB2 SER 59 20.155 18.115 14.473
992 HB3 SER 59 HB3 SER 59 18.951 19.322 14.979
993 HG SER 59 HG SER 59 21.095 19.877 15.618
994 H LEU 60 H LEU 60 19.156 17.405 18.642
995 HA LEU 60 HA LEU 60 16.643 18.885 19.249
996 HB2 LEU 60 HB2 LEU 60 18.391 17.373 21.188
997 HB3 LEU 60 HB3 LEU 60 16.753 17.968 21.429
998 HG LEU 60 HG LEU 60 17.602 15.653 19.632
999 HD11 LEU 60 HD11 LEU 60 15.896 15.817 22.152
1000 HD12 LEU 60 HD12 LEU 60 16.173 14.348 21.181
1001 HD13 LEU 60 HD13 LEU 60 17.516 15.121 22.020
1002 HD21 LEU 60 HD21 LEU 60 15.150 15.309 19.246
1003 HD22 LEU 60 HD22 LEU 60 14.831 16.880 20.016
1004 HD23 LEU 60 HD23 LEU 60 15.750 16.783 18.501
1005 H ILE 61 H ILE 61 16.569 20.706 20.476
1006 HA ILE 61 HA ILE 61 19.113 22.098 21.161
1007 HB ILE 61 HB ILE 61 18.216 24.199 20.292
1008 HG12 ILE 61 HG12 ILE 61 16.343 23.956 18.485
1009 HG13 ILE 61 HG13 ILE 61 15.814 22.567 19.418
1010 HG21 ILE 61 HG21 ILE 61 18.628 23.775 17.957
1011 HG22 ILE 61 HG22 ILE 61 19.695 22.764 18.931
1012 HG23 ILE 61 HG23 ILE 61 18.269 22.048 18.142
1013 HD11 ILE 61 HD11 ILE 61 14.623 24.709 19.921
1014 HD12 ILE 61 HD12 ILE 61 15.401 24.049 21.361
1015 HD13 ILE 61 HD13 ILE 61 16.137 25.417 20.489
1016 H GLU 62 H GLU 62 18.939 23.759 22.774
1017 HA GLU 62 HA GLU 62 17.319 23.009 25.002
1018 HB2 GLU 62 HB2 GLU 62 18.881 25.595 24.552
1019 HB3 GLU 62 HB3 GLU 62 18.204 25.021 26.060
1020 HG2 GLU 62 HG2 GLU 62 20.387 24.389 26.304
1021 HG3 GLU 62 HG3 GLU 62 19.655 22.895 25.746
1022 H GLU 63 H GLU 63 15.226 23.402 25.376
1023 HA GLU 63 HA GLU 63 13.675 25.142 23.676
1024 HB2 GLU 63 HB2 GLU 63 11.781 24.265 24.766
1025 HB3 GLU 63 HB3 GLU 63 12.943 22.976 24.626
1026 HG2 GLU 63 HG2 GLU 63 12.395 22.530 26.741
1027 HG3 GLU 63 HG3 GLU 63 13.612 23.730 27.115
1028 H GLN 64 H GLN 64 15.244 25.654 26.710
1029 HA GLN 64 HA GLN 64 13.915 28.235 27.173
1030 HB2 GLN 64 HB2 GLN 64 16.098 26.815 28.763
1031 HB3 GLN 64 HB3 GLN 64 15.213 28.270 29.275
1032 HG2 GLN 64 HG2 GLN 64 13.080 26.926 29.171
1033 HG3 GLN 64 HG3 GLN 64 14.058 25.496 28.830
1034 HE21 GLN 64 HE21 GLN 64 12.626 24.929 30.804
1035 HE22 GLN 64 HE22 GLN 64 13.404 25.177 32.376
1036 H ASN 65 H ASN 65 15.983 27.381 25.108
1037 HA ASN 65 HA ASN 65 17.746 28.167 23.890
1038 HB2 ASN 65 HB2 ASN 65 16.285 30.733 24.489
1039 HB3 ASN 65 HB3 ASN 65 17.361 30.457 23.119
1040 HD21 ASN 65 HD21 ASN 65 15.991 27.568 22.848
1041 HD22 ASN 65 HD22 ASN 65 14.543 28.051 21.978
1042 H ARG 66 H ARG 66 18.612 27.829 26.563
1043 HA ARG 66 HA ARG 66 20.181 30.040 27.564
1044 HB2 ARG 66 HB2 ARG 66 20.254 27.056 28.184
1045 HB3 ARG 66 HB3 ARG 66 21.164 28.286 29.062
1046 HG2 ARG 66 HG2 ARG 66 19.053 29.427 29.706
1047 HG3 ARG 66 HG3 ARG 66 18.120 28.194 28.831
1048 HD2 ARG 66 HD2 ARG 66 19.053 26.437 30.301
1049 HD3 ARG 66 HD3 ARG 66 19.943 27.663 31.213
1050 HE ARG 66 HE ARG 66 17.039 27.111 31.297
1051 HH11 ARG 66 HH11 ARG 66 19.503 29.401 32.330
1052 HH12 ARG 66 HH12 ARG 66 18.422 30.114 33.502
1053 HH21 ARG 66 HH21 ARG 66 15.793 28.024 32.707
1054 HH22 ARG 66 HH22 ARG 66 16.355 29.318 33.758
Start of MODEL 18
1 H1 GLY -3 H1 GLY -3 28.202 6.619 -2.454
2 H2 GLY -3 H2 GLY -3 28.419 7.733 -3.639
3 H3 GLY -3 H3 GLY -3 27.803 6.254 -4.000
4 HA2 GLY -3 HA2 GLY -3 26.495 8.285 -2.310
5 HA3 GLY -3 HA3 GLY -3 26.065 7.935 -3.999
6 HA PRO -2 HA PRO -2 23.996 4.996 -0.819
7 HB2 PRO -2 HB2 PRO -2 21.627 6.193 -0.215
8 HB3 PRO -2 HB3 PRO -2 23.149 6.596 0.624
9 HG2 PRO -2 HG2 PRO -2 21.864 8.071 -1.703
10 HG3 PRO -2 HG3 PRO -2 22.464 8.744 -0.153
11 HD2 PRO -2 HD2 PRO -2 23.996 8.762 -2.405
12 HD3 PRO -2 HD3 PRO -2 24.713 8.494 -0.787
13 H GLY -1 H GLY -1 22.966 6.494 -3.797
14 HA2 GLY -1 HA2 GLY -1 21.750 5.664 -5.602
15 HA3 GLY -1 HA3 GLY -1 21.520 4.143 -4.743
16 H SER 0 H SER 0 19.313 4.042 -5.324
17 HA SER 0 HA SER 0 17.377 6.103 -4.824
18 HB2 SER 0 HB2 SER 0 17.042 4.260 -6.413
19 HB3 SER 0 HB3 SER 0 16.983 3.104 -5.074
20 HG SER 0 HG SER 0 14.890 3.811 -5.773
21 H MET 1 H MET 1 16.161 6.620 -3.070
22 HA MET 1 HA MET 1 15.748 4.967 -0.759
23 HB2 MET 1 HB2 MET 1 16.812 6.485 0.871
24 HB3 MET 1 HB3 MET 1 18.006 5.671 -0.151
25 HG2 MET 1 HG2 MET 1 18.231 7.716 -1.522
26 HG3 MET 1 HG3 MET 1 17.040 8.542 -0.526
27 HE1 MET 1 HE1 MET 1 18.847 9.258 2.795
28 HE2 MET 1 HE2 MET 1 17.414 9.509 1.777
29 HE3 MET 1 HE3 MET 1 17.733 7.907 2.476
30 H CYS 2 H CYS 2 14.025 5.806 0.461
31 HA CYS 2 HA CYS 2 12.426 7.800 -1.020
32 HB2 CYS 2 HB2 CYS 2 11.749 5.782 1.134
33 HB3 CYS 2 HB3 CYS 2 10.577 6.892 0.385
34 HG CYS 2 HG CYS 2 12.474 4.552 -1.035
35 H MET 3 H MET 3 11.673 9.665 -0.274
36 HA MET 3 HA MET 3 12.803 10.890 2.158
37 HB2 MET 3 HB2 MET 3 11.253 11.857 -0.251
38 HB3 MET 3 HB3 MET 3 11.305 12.836 1.208
39 HG2 MET 3 HG2 MET 3 13.070 13.623 -0.114
40 HG3 MET 3 HG3 MET 3 13.806 12.710 1.187
41 HE1 MET 3 HE1 MET 3 13.709 11.614 -3.313
42 HE2 MET 3 HE2 MET 3 12.209 11.591 -2.374
43 HE3 MET 3 HE3 MET 3 13.106 13.115 -2.566
44 H ALA 4 H ALA 4 11.456 12.159 3.599
45 HA ALA 4 HA ALA 4 9.192 10.693 4.715
46 HB1 ALA 4 HB1 ALA 4 9.286 12.564 6.377
47 HB2 ALA 4 HB2 ALA 4 10.835 11.737 6.151
48 HB3 ALA 4 HB3 ALA 4 10.545 13.329 5.419
49 H LYS 5 H LYS 5 7.292 12.008 5.433
50 HA LYS 5 HA LYS 5 6.344 14.077 3.520
51 HB2 LYS 5 HB2 LYS 5 4.078 13.143 3.530
52 HB3 LYS 5 HB3 LYS 5 5.264 12.097 2.751
53 HG2 LYS 5 HG2 LYS 5 5.327 10.629 4.738
54 HG3 LYS 5 HG3 LYS 5 4.166 11.674 5.565
55 HD2 LYS 5 HD2 LYS 5 2.492 11.249 3.795
56 HD3 LYS 5 HD3 LYS 5 3.619 10.180 2.955
57 HE2 LYS 5 HE2 LYS 5 2.664 9.711 5.816
58 HE3 LYS 5 HE3 LYS 5 1.846 9.067 4.394
59 HZ1 LYS 5 HZ1 LYS 5 4.661 8.429 5.120
60 HZ2 LYS 5 HZ2 LYS 5 3.406 7.453 5.344
61 HZ3 LYS 5 HZ3 LYS 5 3.857 7.850 3.826
62 H VAL 6 H VAL 6 5.326 15.753 4.372
63 HA VAL 6 HA VAL 6 5.299 15.987 7.347
64 HB VAL 6 HB VAL 6 5.133 18.272 5.380
65 HG11 VAL 6 HG11 VAL 6 5.927 18.147 8.311
66 HG12 VAL 6 HG12 VAL 6 6.002 19.594 7.282
67 HG13 VAL 6 HG13 VAL 6 4.438 18.868 7.650
68 HG21 VAL 6 HG21 VAL 6 7.238 17.191 4.895
69 HG22 VAL 6 HG22 VAL 6 7.552 18.662 5.812
70 HG23 VAL 6 HG23 VAL 6 7.640 17.081 6.625
71 H VAL 7 H VAL 7 3.490 16.606 8.460
72 HA VAL 7 HA VAL 7 1.089 17.503 6.982
73 HB VAL 7 HB VAL 7 0.760 15.118 7.218
74 HG11 VAL 7 HG11 VAL 7 2.117 14.635 9.220
75 HG12 VAL 7 HG12 VAL 7 0.944 15.505 10.240
76 HG13 VAL 7 HG13 VAL 7 0.465 14.014 9.395
77 HG21 VAL 7 HG21 VAL 7 -1.059 16.571 9.182
78 HG22 VAL 7 HG22 VAL 7 -1.190 16.665 7.414
79 HG23 VAL 7 HG23 VAL 7 -1.417 15.109 8.242
80 H LEU 8 H LEU 8 -0.230 18.904 8.036
81 HA LEU 8 HA LEU 8 0.307 19.627 10.850
82 HB2 LEU 8 HB2 LEU 8 0.724 21.947 10.391
83 HB3 LEU 8 HB3 LEU 8 1.887 20.948 9.521
84 HG LEU 8 HG LEU 8 0.152 21.263 7.508
85 HD11 LEU 8 HD11 LEU 8 -0.703 23.607 7.482
86 HD12 LEU 8 HD12 LEU 8 -1.520 22.639 8.707
87 HD13 LEU 8 HD13 LEU 8 -0.246 23.782 9.188
88 HD21 LEU 8 HD21 LEU 8 1.512 23.152 6.737
89 HD22 LEU 8 HD22 LEU 8 2.139 23.397 8.381
90 HD23 LEU 8 HD23 LEU 8 2.527 21.915 7.476
91 H THR 9 H THR 9 -1.255 20.958 11.800
92 HA THR 9 HA THR 9 -3.815 21.391 10.304
93 HB THR 9 HB THR 9 -3.662 20.829 13.277
94 HG1 THR 9 HG1 THR 9 -3.194 18.954 12.156
95 HG21 THR 9 HG21 THR 9 -6.008 20.981 11.322
96 HG22 THR 9 HG22 THR 9 -6.118 20.492 13.022
97 HG23 THR 9 HG23 THR 9 -5.639 22.146 12.618
98 H LYS 10 H LYS 10 -4.386 23.469 10.208
99 HA LYS 10 HA LYS 10 -2.796 25.562 11.520
100 HB2 LYS 10 HB2 LYS 10 -5.262 25.720 9.723
101 HB3 LYS 10 HB3 LYS 10 -4.284 27.096 10.238
102 HG2 LYS 10 HG2 LYS 10 -2.287 25.998 9.111
103 HG3 LYS 10 HG3 LYS 10 -3.413 24.846 8.370
104 HD2 LYS 10 HD2 LYS 10 -3.590 27.884 8.136
105 HD3 LYS 10 HD3 LYS 10 -2.852 26.836 6.921
106 HE2 LYS 10 HE2 LYS 10 -4.905 25.842 6.322
107 HE3 LYS 10 HE3 LYS 10 -5.717 26.359 7.799
108 HZ1 LYS 10 HZ1 LYS 10 -6.349 27.723 5.860
109 HZ2 LYS 10 HZ2 LYS 10 -5.682 28.620 7.060
110 HZ3 LYS 10 HZ3 LYS 10 -4.815 28.257 5.705
111 H ALA 11 H ALA 11 -3.754 27.322 12.727
112 HA ALA 11 HA ALA 11 -5.657 26.684 14.789
113 HB1 ALA 11 HB1 ALA 11 -5.550 29.127 15.217
114 HB2 ALA 11 HB2 ALA 11 -3.933 28.448 14.978
115 HB3 ALA 11 HB3 ALA 11 -4.717 29.366 13.669
116 H ASP 12 H ASP 12 -6.108 27.664 11.464
117 HA ASP 12 HA ASP 12 -8.856 28.542 11.607
118 HB2 ASP 12 HB2 ASP 12 -7.308 27.303 9.293
119 HB3 ASP 12 HB3 ASP 12 -8.804 28.211 9.158
120 H GLY 13 H GLY 13 -7.527 25.430 12.073
121 HA2 GLY 13 HA2 GLY 13 -8.580 23.391 12.411
122 HA3 GLY 13 HA3 GLY 13 -10.087 24.018 11.740
123 H GLY 14 H GLY 14 -7.986 24.900 9.412
124 HA2 GLY 14 HA2 GLY 14 -8.516 22.660 7.623
125 HA3 GLY 14 HA3 GLY 14 -7.601 24.119 7.258
126 H ARG 15 H ARG 15 -6.828 21.565 6.402
127 HA ARG 15 HA ARG 15 -4.272 21.095 7.886
128 HB2 ARG 15 HB2 ARG 15 -6.229 19.034 6.806
129 HB3 ARG 15 HB3 ARG 15 -4.544 18.655 7.173
130 HG2 ARG 15 HG2 ARG 15 -4.873 19.480 9.486
131 HG3 ARG 15 HG3 ARG 15 -6.600 19.743 9.151
132 HD2 ARG 15 HD2 ARG 15 -6.968 17.393 8.835
133 HD3 ARG 15 HD3 ARG 15 -5.230 17.044 8.824
134 HE ARG 15 HE ARG 15 -5.432 18.179 11.238
135 HH11 ARG 15 HH11 ARG 15 -7.434 15.598 9.924
136 HH12 ARG 15 HH12 ARG 15 -7.769 14.948 11.510
137 HH21 ARG 15 HH21 ARG 15 -5.860 17.288 13.180
138 HH22 ARG 15 HH22 ARG 15 -6.902 15.890 13.310
139 H VAL 16 H VAL 16 -2.523 20.329 6.774
140 HA VAL 16 HA VAL 16 -2.529 20.529 3.800
141 HB VAL 16 HB VAL 16 -0.502 22.000 5.535
142 HG11 VAL 16 HG11 VAL 16 0.442 21.288 3.383
143 HG12 VAL 16 HG12 VAL 16 -0.933 22.007 2.523
144 HG13 VAL 16 HG13 VAL 16 0.210 23.037 3.416
145 HG21 VAL 16 HG21 VAL 16 -2.595 23.223 5.714
146 HG22 VAL 16 HG22 VAL 16 -1.499 24.100 4.639
147 HG23 VAL 16 HG23 VAL 16 -2.833 23.144 3.954
148 H GLU 17 H GLU 17 -1.062 19.197 2.810
149 HA GLU 17 HA GLU 17 0.785 17.540 4.459
150 HB2 GLU 17 HB2 GLU 17 -1.137 16.537 2.333
151 HB3 GLU 17 HB3 GLU 17 0.195 15.594 3.032
152 HG2 GLU 17 HG2 GLU 17 -0.808 15.699 5.244
153 HG3 GLU 17 HG3 GLU 17 -2.111 16.750 4.656
154 H ILE 18 H ILE 18 2.734 17.068 3.515
155 HA ILE 18 HA ILE 18 3.319 18.141 0.780
156 HB ILE 18 HB ILE 18 4.990 18.746 3.241
157 HG12 ILE 18 HG12 ILE 18 3.131 20.684 1.809
158 HG13 ILE 18 HG13 ILE 18 2.809 19.957 3.384
159 HG21 ILE 18 HG21 ILE 18 6.234 18.648 1.086
160 HG22 ILE 18 HG22 ILE 18 5.132 19.864 0.413
161 HG23 ILE 18 HG23 ILE 18 6.209 20.280 1.757
162 HD11 ILE 18 HD11 ILE 18 3.581 22.075 3.862
163 HD12 ILE 18 HD12 ILE 18 4.913 20.980 4.269
164 HD13 ILE 18 HD13 ILE 18 4.970 21.952 2.764
165 H GLY 19 H GLY 19 4.164 16.527 -0.356
166 HA2 GLY 19 HA2 GLY 19 5.485 14.220 0.927
167 HA3 GLY 19 HA3 GLY 19 5.018 14.362 -0.756
168 H ASP 20 H ASP 20 7.397 13.275 0.002
169 HA ASP 20 HA ASP 20 9.567 13.207 -0.512
170 HB2 ASP 20 HB2 ASP 20 8.830 15.102 -2.733
171 HB3 ASP 20 HB3 ASP 20 10.184 13.967 -2.692
172 H VAL 21 H VAL 21 9.267 14.900 1.615
173 HA VAL 21 HA VAL 21 10.827 17.332 1.214
174 HB VAL 21 HB VAL 21 8.909 17.032 2.841
175 HG11 VAL 21 HG11 VAL 21 9.344 16.190 5.063
176 HG12 VAL 21 HG12 VAL 21 9.666 14.914 3.899
177 HG13 VAL 21 HG13 VAL 21 11.015 15.798 4.649
178 HG21 VAL 21 HG21 VAL 21 10.337 18.996 2.891
179 HG22 VAL 21 HG22 VAL 21 9.851 18.514 4.522
180 HG23 VAL 21 HG23 VAL 21 11.494 18.161 3.954
181 H LEU 22 H LEU 22 12.932 17.715 1.561
182 HA LEU 22 HA LEU 22 14.760 15.455 2.253
183 HB2 LEU 22 HB2 LEU 22 15.234 18.255 1.146
184 HB3 LEU 22 HB3 LEU 22 16.521 17.116 1.534
185 HG LEU 22 HG LEU 22 14.377 16.679 -0.600
186 HD11 LEU 22 HD11 LEU 22 17.340 17.413 -0.749
187 HD12 LEU 22 HD12 LEU 22 16.337 16.967 -2.132
188 HD13 LEU 22 HD13 LEU 22 15.965 18.437 -1.215
189 HD21 LEU 22 HD21 LEU 22 16.899 15.070 0.032
190 HD22 LEU 22 HD22 LEU 22 15.250 14.525 0.337
191 HD23 LEU 22 HD23 LEU 22 15.779 14.792 -1.320
192 H GLU 23 H GLU 23 13.619 18.552 3.548
193 HA GLU 23 HA GLU 23 14.895 17.999 6.126
194 HB2 GLU 23 HB2 GLU 23 16.723 18.999 4.814
195 HB3 GLU 23 HB3 GLU 23 15.704 20.377 4.394
196 HG2 GLU 23 HG2 GLU 23 15.657 21.089 6.743
197 HG3 GLU 23 HG3 GLU 23 16.547 19.634 7.228
198 H VAL 24 H VAL 24 13.971 19.076 7.826
199 HA VAL 24 HA VAL 24 12.223 21.398 7.305
200 HB VAL 24 HB VAL 24 10.497 20.762 8.784
201 HG11 VAL 24 HG11 VAL 24 10.962 18.318 7.029
202 HG12 VAL 24 HG12 VAL 24 9.414 18.959 7.616
203 HG13 VAL 24 HG13 VAL 24 10.367 19.872 6.435
204 HG21 VAL 24 HG21 VAL 24 11.873 18.115 9.270
205 HG22 VAL 24 HG22 VAL 24 11.758 19.420 10.464
206 HG23 VAL 24 HG23 VAL 24 10.297 18.609 9.891
207 H ARG 25 H ARG 25 12.202 22.942 8.995
208 HA ARG 25 HA ARG 25 13.812 22.408 11.430
209 HB2 ARG 25 HB2 ARG 25 14.290 25.091 10.227
210 HB3 ARG 25 HB3 ARG 25 15.294 24.114 11.270
211 HG2 ARG 25 HG2 ARG 25 16.534 24.129 9.348
212 HG3 ARG 25 HG3 ARG 25 15.655 22.621 9.111
213 HD2 ARG 25 HD2 ARG 25 14.000 23.894 7.693
214 HD3 ARG 25 HD3 ARG 25 14.932 25.366 7.987
215 HE ARG 25 HE ARG 25 16.706 23.448 6.889
216 HH11 ARG 25 HH11 ARG 25 14.035 25.449 5.894
217 HH12 ARG 25 HH12 ARG 25 14.467 25.416 4.205
218 HH21 ARG 25 HH21 ARG 25 17.071 23.178 4.671
219 HH22 ARG 25 HH22 ARG 25 15.990 23.987 3.562
220 H ALA 26 H ALA 26 13.097 23.384 13.229
221 HA ALA 26 HA ALA 26 10.702 25.152 13.099
222 HB1 ALA 26 HB1 ALA 26 10.335 24.481 15.431
223 HB2 ALA 26 HB2 ALA 26 10.373 23.067 14.355
224 HB3 ALA 26 HB3 ALA 26 11.785 23.449 15.375
225 H GLU 27 H GLU 27 11.113 27.265 13.396
226 HA GLU 27 HA GLU 27 13.398 28.300 14.951
227 HB2 GLU 27 HB2 GLU 27 14.538 27.535 12.964
228 HB3 GLU 27 HB3 GLU 27 13.265 28.122 11.924
229 HG2 GLU 27 HG2 GLU 27 15.138 29.460 11.596
230 HG3 GLU 27 HG3 GLU 27 13.910 30.448 12.365
231 H GLY 28 H GLY 28 12.979 30.341 15.646
232 HA2 GLY 28 HA2 GLY 28 12.045 32.410 15.860
233 HA3 GLY 28 HA3 GLY 28 11.747 32.379 14.124
234 H GLY 29 H GLY 29 10.235 30.039 16.294
235 HA2 GLY 29 HA2 GLY 29 8.021 29.732 16.968
236 HA3 GLY 29 HA3 GLY 29 7.659 31.407 16.549
237 H ALA 30 H ALA 30 9.089 29.371 14.083
238 HA ALA 30 HA ALA 30 6.478 28.685 12.832
239 HB1 ALA 30 HB1 ALA 30 7.278 29.614 10.691
240 HB2 ALA 30 HB2 ALA 30 7.303 30.892 11.927
241 HB3 ALA 30 HB3 ALA 30 8.811 30.093 11.450
242 H VAL 31 H VAL 31 6.777 27.134 11.004
243 HA VAL 31 HA VAL 31 9.353 25.596 11.170
244 HB VAL 31 HB VAL 31 6.653 24.364 10.548
245 HG11 VAL 31 HG11 VAL 31 8.389 23.218 9.248
246 HG12 VAL 31 HG12 VAL 31 9.473 23.170 10.660
247 HG13 VAL 31 HG13 VAL 31 7.997 22.210 10.644
248 HG21 VAL 31 HG21 VAL 31 8.539 24.027 12.926
249 HG22 VAL 31 HG22 VAL 31 6.946 24.800 12.946
250 HG23 VAL 31 HG23 VAL 31 7.065 23.073 12.625
251 H ARG 32 H ARG 32 10.515 25.391 9.433
252 HA ARG 32 HA ARG 32 9.438 26.126 6.726
253 HB2 ARG 32 HB2 ARG 32 12.236 26.240 7.900
254 HB3 ARG 32 HB3 ARG 32 11.911 26.267 6.152
255 HG2 ARG 32 HG2 ARG 32 10.588 28.303 6.356
256 HG3 ARG 32 HG3 ARG 32 10.768 28.288 8.119
257 HD2 ARG 32 HD2 ARG 32 12.278 29.907 7.112
258 HD3 ARG 32 HD3 ARG 32 13.172 28.601 7.924
259 HE ARG 32 HE ARG 32 12.854 27.973 5.121
260 HH11 ARG 32 HH11 ARG 32 14.678 30.240 7.091
261 HH12 ARG 32 HH12 ARG 32 15.990 30.288 5.946
262 HH21 ARG 32 HH21 ARG 32 14.603 27.999 3.781
263 HH22 ARG 32 HH22 ARG 32 15.936 29.077 4.118
264 H VAL 33 H VAL 33 9.847 24.780 4.994
265 HA VAL 33 HA VAL 33 11.086 22.116 5.479
266 HB VAL 33 HB VAL 33 9.316 20.873 4.549
267 HG11 VAL 33 HG11 VAL 33 7.461 21.170 6.049
268 HG12 VAL 33 HG12 VAL 33 8.925 21.598 6.950
269 HG13 VAL 33 HG13 VAL 33 7.854 22.866 6.343
270 HG21 VAL 33 HG21 VAL 33 8.560 22.349 2.740
271 HG22 VAL 33 HG22 VAL 33 7.195 21.845 3.733
272 HG23 VAL 33 HG23 VAL 33 7.889 23.472 3.938
273 H THR 34 H THR 34 11.930 21.083 3.647
274 HA THR 34 HA THR 34 12.158 22.699 1.118
275 HB THR 34 HB THR 34 14.405 21.277 2.593
276 HG1 THR 34 HG1 THR 34 13.698 23.279 3.437
277 HG21 THR 34 HG21 THR 34 14.427 22.880 -0.001
278 HG22 THR 34 HG22 THR 34 15.881 22.406 0.912
279 HG23 THR 34 HG23 THR 34 14.849 21.165 0.184
280 H THR 35 H THR 35 11.880 21.579 -0.719
281 HA THR 35 HA THR 35 11.663 18.592 -0.612
282 HB THR 35 HB THR 35 10.283 18.706 -2.566
283 HG1 THR 35 HG1 THR 35 10.534 21.521 -2.444
284 HG21 THR 35 HG21 THR 35 9.117 19.073 -0.418
285 HG22 THR 35 HG22 THR 35 9.301 20.834 -0.615
286 HG23 THR 35 HG23 THR 35 8.334 19.894 -1.773
287 H LEU 36 H LEU 36 12.227 17.420 -2.634
288 HA LEU 36 HA LEU 36 14.902 17.935 -3.511
289 HB2 LEU 36 HB2 LEU 36 14.730 15.983 -4.731
290 HB3 LEU 36 HB3 LEU 36 13.685 15.688 -3.354
291 HG LEU 36 HG LEU 36 12.789 16.425 -6.199
292 HD11 LEU 36 HD11 LEU 36 12.569 13.806 -4.680
293 HD12 LEU 36 HD12 LEU 36 11.987 14.134 -6.325
294 HD13 LEU 36 HD13 LEU 36 13.727 14.148 -5.990
295 HD21 LEU 36 HD21 LEU 36 11.167 15.758 -3.701
296 HD22 LEU 36 HD22 LEU 36 11.105 17.242 -4.670
297 HD23 LEU 36 HD23 LEU 36 10.515 15.730 -5.357
298 H PHE 37 H PHE 37 12.025 19.422 -4.609
299 HA PHE 37 HA PHE 37 12.971 20.008 -7.319
300 HB2 PHE 37 HB2 PHE 37 10.707 21.302 -5.760
301 HB3 PHE 37 HB3 PHE 37 10.942 21.327 -7.501
302 HD1 PHE 37 HD1 PHE 37 11.199 18.798 -8.561
303 HD2 PHE 37 HD2 PHE 37 9.013 19.864 -4.997
304 HE1 PHE 37 HE1 PHE 37 9.796 16.775 -8.828
305 HE2 PHE 37 HE2 PHE 37 7.613 17.839 -5.256
306 HZ PHE 37 HZ PHE 37 7.994 16.279 -7.164
307 H ASP 38 H ASP 38 14.173 21.013 -4.485
308 HA ASP 38 HA ASP 38 15.183 22.739 -3.543
309 HB2 ASP 38 HB2 ASP 38 15.365 24.119 -6.233
310 HB3 ASP 38 HB3 ASP 38 16.298 24.475 -4.794
311 H GLU 39 H GLU 39 12.148 22.784 -4.228
312 HA GLU 39 HA GLU 39 11.479 25.597 -3.733
313 HB2 GLU 39 HB2 GLU 39 10.056 24.176 -5.199
314 HB3 GLU 39 HB3 GLU 39 9.760 23.091 -3.850
315 HG2 GLU 39 HG2 GLU 39 7.827 24.438 -4.143
316 HG3 GLU 39 HG3 GLU 39 8.569 24.910 -2.636
317 H GLU 40 H GLU 40 10.636 26.431 -1.857
318 HA GLU 40 HA GLU 40 10.633 24.730 0.586
319 HB2 GLU 40 HB2 GLU 40 11.779 27.543 0.413
320 HB3 GLU 40 HB3 GLU 40 11.457 26.650 1.903
321 HG2 GLU 40 HG2 GLU 40 12.990 24.817 1.018
322 HG3 GLU 40 HG3 GLU 40 13.431 25.917 -0.282
323 H HIS 41 H HIS 41 9.291 25.319 2.222
324 HA HIS 41 HA HIS 41 7.236 27.416 1.766
325 HB2 HIS 41 HB2 HIS 41 6.496 24.592 2.607
326 HB3 HIS 41 HB3 HIS 41 5.410 25.952 2.440
327 HD2 HIS 41 HD2 HIS 41 6.924 23.100 0.541
328 HE1 HIS 41 HE1 HIS 41 5.051 25.509 -2.450
329 HE2 HIS 41 HE2 HIS 41 6.143 23.247 -1.976
330 H ALA 42 H ALA 42 6.177 28.107 3.732
331 HA ALA 42 HA ALA 42 7.555 27.422 6.258
332 HB1 ALA 42 HB1 ALA 42 8.799 29.287 5.184
333 HB2 ALA 42 HB2 ALA 42 7.297 30.255 5.180
334 HB3 ALA 42 HB3 ALA 42 8.042 29.762 6.716
335 H PHE 43 H PHE 43 6.355 27.624 8.055
336 HA PHE 43 HA PHE 43 3.499 28.508 7.843
337 HB2 PHE 43 HB2 PHE 43 4.545 25.911 8.998
338 HB3 PHE 43 HB3 PHE 43 2.868 26.440 8.930
339 HD1 PHE 43 HD1 PHE 43 5.604 24.865 7.105
340 HD2 PHE 43 HD2 PHE 43 1.718 26.697 6.688
341 HE1 PHE 43 HE1 PHE 43 5.399 23.926 4.808
342 HE2 PHE 43 HE2 PHE 43 1.515 25.736 4.410
343 HZ PHE 43 HZ PHE 43 3.362 24.373 3.457
344 HA PRO 44 HA PRO 44 5.131 30.496 11.642
345 HB2 PRO 44 HB2 PRO 44 2.721 32.194 11.071
346 HB3 PRO 44 HB3 PRO 44 4.351 32.695 11.629
347 HG2 PRO 44 HG2 PRO 44 3.669 33.020 9.032
348 HG3 PRO 44 HG3 PRO 44 5.278 32.335 9.439
349 HD2 PRO 44 HD2 PRO 44 2.747 30.839 8.672
350 HD3 PRO 44 HD3 PRO 44 4.396 30.659 8.004
351 H GLY 45 H GLY 45 4.531 30.272 13.746
352 HA2 GLY 45 HA2 GLY 45 3.148 30.044 15.609
353 HA3 GLY 45 HA3 GLY 45 1.743 29.819 14.565
354 H LEU 46 H LEU 46 4.224 27.746 13.568
355 HA LEU 46 HA LEU 46 3.087 25.458 15.088
356 HB2 LEU 46 HB2 LEU 46 4.463 25.433 12.379
357 HB3 LEU 46 HB3 LEU 46 3.783 24.043 13.224
358 HG LEU 46 HG LEU 46 2.224 26.393 12.068
359 HD11 LEU 46 HD11 LEU 46 3.152 24.687 10.487
360 HD12 LEU 46 HD12 LEU 46 2.240 23.436 11.343
361 HD13 LEU 46 HD13 LEU 46 1.384 24.759 10.513
362 HD21 LEU 46 HD21 LEU 46 1.195 23.918 13.534
363 HD22 LEU 46 HD22 LEU 46 1.043 25.603 14.081
364 HD23 LEU 46 HD23 LEU 46 0.188 25.072 12.629
365 H ALA 47 H ALA 47 4.418 23.691 15.559
366 HA ALA 47 HA ALA 47 7.337 23.930 15.312
367 HB1 ALA 47 HB1 ALA 47 5.970 23.311 17.966
368 HB2 ALA 47 HB2 ALA 47 7.702 23.132 17.646
369 HB3 ALA 47 HB3 ALA 47 6.959 24.743 17.586
370 H ILE 48 H ILE 48 8.393 21.777 15.555
371 HA ILE 48 HA ILE 48 6.799 19.653 14.321
372 HB ILE 48 HB ILE 48 9.648 19.591 15.361
373 HG12 ILE 48 HG12 ILE 48 8.903 19.716 12.419
374 HG13 ILE 48 HG13 ILE 48 9.043 21.206 13.349
375 HG21 ILE 48 HG21 ILE 48 8.695 17.319 15.185
376 HG22 ILE 48 HG22 ILE 48 8.102 17.667 13.547
377 HG23 ILE 48 HG23 ILE 48 9.849 17.563 13.877
378 HD11 ILE 48 HD11 ILE 48 11.141 20.813 12.282
379 HD12 ILE 48 HD12 ILE 48 11.360 20.591 14.022
380 HD13 ILE 48 HD13 ILE 48 11.266 19.171 12.952
381 H GLY 49 H GLY 49 5.544 18.277 15.446
382 HA2 GLY 49 HA2 GLY 49 5.758 18.137 18.409
383 HA3 GLY 49 HA3 GLY 49 4.375 17.707 17.407
384 H ARG 50 H ARG 50 5.814 15.972 15.552
385 HA ARG 50 HA ARG 50 6.908 13.768 17.167
386 HB2 ARG 50 HB2 ARG 50 4.271 13.842 17.327
387 HB3 ARG 50 HB3 ARG 50 4.316 13.221 15.674
388 HG2 ARG 50 HG2 ARG 50 5.743 11.296 16.545
389 HG3 ARG 50 HG3 ARG 50 5.569 11.978 18.161
390 HD2 ARG 50 HD2 ARG 50 4.011 10.177 17.952
391 HD3 ARG 50 HD3 ARG 50 3.109 11.684 18.021
392 HE ARG 50 HE ARG 50 2.563 11.496 15.702
393 HH11 ARG 50 HH11 ARG 50 4.155 8.519 16.816
394 HH12 ARG 50 HH12 ARG 50 3.813 7.740 15.275
395 HH21 ARG 50 HH21 ARG 50 2.199 10.309 13.808
396 HH22 ARG 50 HH22 ARG 50 2.735 8.647 13.751
397 H VAL 51 H VAL 51 7.978 12.249 16.005
398 HA VAL 51 HA VAL 51 7.925 12.380 13.017
399 HB VAL 51 HB VAL 51 10.481 12.219 14.647
400 HG11 VAL 51 HG11 VAL 51 10.653 10.961 12.564
401 HG12 VAL 51 HG12 VAL 51 9.948 12.315 11.650
402 HG13 VAL 51 HG13 VAL 51 11.549 12.466 12.398
403 HG21 VAL 51 HG21 VAL 51 11.036 14.419 13.674
404 HG22 VAL 51 HG22 VAL 51 9.409 14.514 12.940
405 HG23 VAL 51 HG23 VAL 51 9.621 14.523 14.705
406 H ASP 52 H ASP 52 7.582 10.411 12.194
407 HA ASP 52 HA ASP 52 8.001 7.970 13.894
408 HB2 ASP 52 HB2 ASP 52 5.745 8.939 14.092
409 HB3 ASP 52 HB3 ASP 52 5.505 8.764 12.357
410 H LEU 53 H LEU 53 9.605 7.020 12.843
411 HA LEU 53 HA LEU 53 9.988 7.240 9.988
412 HB2 LEU 53 HB2 LEU 53 11.522 5.667 12.112
413 HB3 LEU 53 HB3 LEU 53 12.015 5.885 10.449
414 HG LEU 53 HG LEU 53 13.323 7.322 11.664
415 HD11 LEU 53 HD11 LEU 53 12.391 8.337 9.607
416 HD12 LEU 53 HD12 LEU 53 11.146 9.147 10.598
417 HD13 LEU 53 HD13 LEU 53 12.860 9.531 10.822
418 HD21 LEU 53 HD21 LEU 53 10.951 8.589 13.080
419 HD22 LEU 53 HD22 LEU 53 12.121 7.449 13.773
420 HD23 LEU 53 HD23 LEU 53 12.643 9.039 13.239
421 H ARG 54 H ARG 54 8.072 5.095 11.723
422 HA ARG 54 HA ARG 54 8.349 2.669 10.179
423 HB2 ARG 54 HB2 ARG 54 5.873 3.822 11.542
424 HB3 ARG 54 HB3 ARG 54 6.107 2.144 11.038
425 HG2 ARG 54 HG2 ARG 54 7.966 1.900 12.685
426 HG3 ARG 54 HG3 ARG 54 7.750 3.582 13.185
427 HD2 ARG 54 HD2 ARG 54 5.300 2.978 13.677
428 HD3 ARG 54 HD3 ARG 54 5.775 1.292 13.476
429 HE ARG 54 HE ARG 54 6.922 1.378 15.529
430 HH11 ARG 54 HH11 ARG 54 6.076 4.741 14.711
431 HH12 ARG 54 HH12 ARG 54 6.068 5.147 16.433
432 HH21 ARG 54 HH21 ARG 54 7.086 2.212 17.640
433 HH22 ARG 54 HH22 ARG 54 6.672 3.911 17.888
434 H SER 55 H SER 55 6.696 5.684 9.562
435 HA SER 55 HA SER 55 6.051 4.789 6.779
436 HB2 SER 55 HB2 SER 55 4.035 4.786 8.283
437 HB3 SER 55 HB3 SER 55 4.258 6.525 8.506
438 HG SER 55 HG SER 55 3.545 5.053 6.189
439 H GLY 56 H GLY 56 8.007 6.769 8.484
440 HA2 GLY 56 HA2 GLY 56 9.244 8.633 7.995
441 HA3 GLY 56 HA3 GLY 56 8.667 8.526 6.322
442 H VAL 57 H VAL 57 6.645 8.986 9.243
443 HA VAL 57 HA VAL 57 5.433 11.394 7.990
444 HB VAL 57 HB VAL 57 4.617 9.693 10.359
445 HG11 VAL 57 HG11 VAL 57 3.303 12.233 9.306
446 HG12 VAL 57 HG12 VAL 57 2.538 11.086 10.413
447 HG13 VAL 57 HG13 VAL 57 3.963 11.986 10.935
448 HG21 VAL 57 HG21 VAL 57 3.292 10.314 7.691
449 HG22 VAL 57 HG22 VAL 57 4.179 8.814 8.056
450 HG23 VAL 57 HG23 VAL 57 2.681 9.187 8.924
451 H ILE 58 H ILE 58 5.858 13.380 8.527
452 HA ILE 58 HA ILE 58 7.105 14.056 11.183
453 HB ILE 58 HB ILE 58 7.335 15.367 8.461
454 HG12 ILE 58 HG12 ILE 58 9.482 14.388 10.399
455 HG13 ILE 58 HG13 ILE 58 8.870 13.443 9.047
456 HG21 ILE 58 HG21 ILE 58 6.966 17.142 10.175
457 HG22 ILE 58 HG22 ILE 58 8.347 16.505 11.106
458 HG23 ILE 58 HG23 ILE 58 8.569 17.201 9.478
459 HD11 ILE 58 HD11 ILE 58 10.940 14.429 8.390
460 HD12 ILE 58 HD12 ILE 58 9.646 15.212 7.468
461 HD13 ILE 58 HD13 ILE 58 10.407 16.053 8.850
462 H SER 59 H SER 59 5.639 14.903 12.546
463 HA SER 59 HA SER 59 3.148 16.144 11.437
464 HB2 SER 59 HB2 SER 59 2.816 13.964 12.511
465 HB3 SER 59 HB3 SER 59 3.527 14.593 14.002
466 HG SER 59 HG SER 59 1.216 14.697 13.963
467 H LEU 60 H LEU 60 2.768 18.166 11.867
468 HA LEU 60 HA LEU 60 4.319 19.626 13.972
469 HB2 LEU 60 HB2 LEU 60 2.917 20.439 11.412
470 HB3 LEU 60 HB3 LEU 60 3.402 21.624 12.613
471 HG LEU 60 HG LEU 60 5.741 21.169 12.298
472 HD11 LEU 60 HD11 LEU 60 4.911 18.996 10.351
473 HD12 LEU 60 HD12 LEU 60 6.552 19.692 10.458
474 HD13 LEU 60 HD13 LEU 60 5.887 18.809 11.828
475 HD21 LEU 60 HD21 LEU 60 4.222 21.421 9.655
476 HD22 LEU 60 HD22 LEU 60 4.651 22.738 10.769
477 HD23 LEU 60 HD23 LEU 60 5.912 21.863 9.892
478 H ILE 61 H ILE 61 3.332 21.088 15.320
479 HA ILE 61 HA ILE 61 0.373 21.054 15.563
480 HB ILE 61 HB ILE 61 0.281 20.566 17.787
481 HG12 ILE 61 HG12 ILE 61 1.880 21.850 18.882
482 HG13 ILE 61 HG13 ILE 61 2.168 20.185 19.336
483 HG21 ILE 61 HG21 ILE 61 2.394 18.639 16.801
484 HG22 ILE 61 HG22 ILE 61 1.213 18.368 18.105
485 HG23 ILE 61 HG23 ILE 61 0.655 18.568 16.445
486 HD11 ILE 61 HD11 ILE 61 4.056 20.146 17.627
487 HD12 ILE 61 HD12 ILE 61 3.822 21.904 17.483
488 HD13 ILE 61 HD13 ILE 61 4.278 21.202 19.038
489 H GLU 62 H GLU 62 -0.420 22.765 17.063
490 HA GLU 62 HA GLU 62 0.744 25.377 16.413
491 HB2 GLU 62 HB2 GLU 62 -1.475 24.576 18.340
492 HB3 GLU 62 HB3 GLU 62 -1.024 26.237 17.930
493 HG2 GLU 62 HG2 GLU 62 -1.668 25.903 15.602
494 HG3 GLU 62 HG3 GLU 62 -1.988 24.192 15.890
495 H GLU 63 H GLU 63 2.453 26.267 17.398
496 HA GLU 63 HA GLU 63 3.543 25.025 19.796
497 HB2 GLU 63 HB2 GLU 63 5.479 26.285 19.392
498 HB3 GLU 63 HB3 GLU 63 4.845 25.814 17.838
499 HG2 GLU 63 HG2 GLU 63 5.362 27.966 17.341
500 HG3 GLU 63 HG3 GLU 63 3.688 28.204 17.846
501 H GLN 64 H GLN 64 1.513 27.744 19.238
502 HA GLN 64 HA GLN 64 0.911 27.877 22.051
503 HB2 GLN 64 HB2 GLN 64 1.225 30.167 22.480
504 HB3 GLN 64 HB3 GLN 64 2.737 29.588 21.785
505 HG2 GLN 64 HG2 GLN 64 2.058 30.555 19.573
506 HG3 GLN 64 HG3 GLN 64 0.611 31.223 20.326
507 HE21 GLN 64 HE21 GLN 64 4.141 31.502 20.110
508 HE22 GLN 64 HE22 GLN 64 4.220 33.058 20.951
509 H ASN 65 H ASN 65 -1.167 28.905 22.448
510 HA ASN 65 HA ASN 65 -2.859 29.454 20.064
511 HB2 ASN 65 HB2 ASN 65 -4.509 27.811 20.797
512 HB3 ASN 65 HB3 ASN 65 -2.957 27.043 20.493
513 HD21 ASN 65 HD21 ASN 65 -4.319 25.395 21.807
514 HD22 ASN 65 HD22 ASN 65 -4.056 25.443 23.546
515 H ARG 66 H ARG 66 -1.848 30.905 22.682
516 HA ARG 66 HA ARG 66 -4.374 31.812 23.920
517 HB2 ARG 66 HB2 ARG 66 -1.470 32.651 24.298
518 HB3 ARG 66 HB3 ARG 66 -2.842 33.358 25.158
519 HG2 ARG 66 HG2 ARG 66 -3.443 31.079 26.032
520 HG3 ARG 66 HG3 ARG 66 -1.973 30.435 25.286
521 HD2 ARG 66 HD2 ARG 66 -2.082 32.639 27.392
522 HD3 ARG 66 HD3 ARG 66 -1.730 30.954 27.733
523 HE ARG 66 HE ARG 66 0.053 32.942 26.542
524 HH11 ARG 66 HH11 ARG 66 -0.352 29.486 27.032
525 HH12 ARG 66 HH12 ARG 66 1.354 29.185 26.830
526 HH21 ARG 66 HH21 ARG 66 2.196 32.460 26.269
527 HH22 ARG 66 HH22 ARG 66 2.735 30.810 26.393
528 H1 GLY -3 H1 GLY -3 10.938 -3.629 -7.788
529 H2 GLY -3 H2 GLY -3 11.505 -2.865 -6.449
530 H3 GLY -3 H3 GLY -3 10.033 -3.591 -6.427
531 HA2 GLY -3 HA2 GLY -3 11.036 -5.769 -6.713
532 HA3 GLY -3 HA3 GLY -3 12.613 -4.961 -6.730
533 HA PRO -2 HA PRO -2 12.078 -6.318 -2.379
534 HB2 PRO -2 HB2 PRO -2 15.062 -5.948 -2.568
535 HB3 PRO -2 HB3 PRO -2 14.133 -7.236 -1.747
536 HG2 PRO -2 HG2 PRO -2 15.271 -7.732 -4.148
537 HG3 PRO -2 HG3 PRO -2 13.588 -8.278 -3.828
538 HD2 PRO -2 HD2 PRO -2 14.520 -5.776 -5.291
539 HD3 PRO -2 HD3 PRO -2 13.288 -6.979 -5.783
540 H GLY -1 H GLY -1 12.517 -5.302 -0.326
541 HA2 GLY -1 HA2 GLY -1 13.864 -2.791 0.000
542 HA3 GLY -1 HA3 GLY -1 12.123 -2.532 -0.112
543 H SER 0 H SER 0 13.322 -1.758 2.144
544 HA SER 0 HA SER 0 12.136 -3.430 4.224
545 HB2 SER 0 HB2 SER 0 14.423 -4.418 3.863
546 HB3 SER 0 HB3 SER 0 15.125 -2.857 4.306
547 HG SER 0 HG SER 0 15.017 -4.345 6.074
548 H MET 1 H MET 1 12.406 -2.371 6.405
549 HA MET 1 HA MET 1 11.672 0.430 6.327
550 HB2 MET 1 HB2 MET 1 12.318 -1.407 8.671
551 HB3 MET 1 HB3 MET 1 11.632 0.217 8.802
552 HG2 MET 1 HG2 MET 1 9.658 -0.507 7.481
553 HG3 MET 1 HG3 MET 1 10.333 -2.128 7.360
554 HE1 MET 1 HE1 MET 1 8.559 -0.220 11.192
555 HE2 MET 1 HE2 MET 1 10.039 0.432 10.473
556 HE3 MET 1 HE3 MET 1 8.498 0.485 9.564
557 H CYS 2 H CYS 2 12.700 2.154 7.542
558 HA CYS 2 HA CYS 2 15.613 1.934 8.025
559 HB2 CYS 2 HB2 CYS 2 15.316 2.707 5.688
560 HB3 CYS 2 HB3 CYS 2 14.331 4.063 6.262
561 HG CYS 2 HG CYS 2 16.707 4.941 5.610
562 H MET 3 H MET 3 16.388 3.289 9.610
563 HA MET 3 HA MET 3 14.369 4.732 11.287
564 HB2 MET 3 HB2 MET 3 16.515 2.724 12.040
565 HB3 MET 3 HB3 MET 3 15.981 3.949 13.165
566 HG2 MET 3 HG2 MET 3 14.695 2.029 13.646
567 HG3 MET 3 HG3 MET 3 13.629 3.229 12.916
568 HE1 MET 3 HE1 MET 3 15.062 -0.681 10.910
569 HE2 MET 3 HE2 MET 3 16.068 0.785 10.795
570 HE3 MET 3 HE3 MET 3 15.731 0.074 12.385
571 H ALA 4 H ALA 4 15.113 6.406 12.609
572 HA ALA 4 HA ALA 4 17.119 8.112 11.311
573 HB1 ALA 4 HB1 ALA 4 15.186 8.559 13.624
574 HB2 ALA 4 HB2 ALA 4 16.218 9.809 12.912
575 HB3 ALA 4 HB3 ALA 4 14.960 9.063 11.935
576 H LYS 5 H LYS 5 18.542 9.428 12.666
577 HA LYS 5 HA LYS 5 19.387 8.199 15.242
578 HB2 LYS 5 HB2 LYS 5 21.698 8.862 14.918
579 HB3 LYS 5 HB3 LYS 5 21.176 7.676 13.737
580 HG2 LYS 5 HG2 LYS 5 20.966 9.460 12.009
581 HG3 LYS 5 HG3 LYS 5 21.499 10.663 13.195
582 HD2 LYS 5 HD2 LYS 5 23.631 9.424 13.496
583 HD3 LYS 5 HD3 LYS 5 23.139 8.244 12.278
584 HE2 LYS 5 HE2 LYS 5 23.413 11.236 11.751
585 HE3 LYS 5 HE3 LYS 5 24.731 10.097 11.523
586 HZ1 LYS 5 HZ1 LYS 5 23.478 8.973 9.838
587 HZ2 LYS 5 HZ2 LYS 5 22.147 9.884 10.075
588 HZ3 LYS 5 HZ3 LYS 5 23.482 10.563 9.461
589 H VAL 6 H VAL 6 19.340 9.477 16.927
590 HA VAL 6 HA VAL 6 18.444 12.301 16.541
591 HB VAL 6 HB VAL 6 18.071 10.394 18.857
592 HG11 VAL 6 HG11 VAL 6 16.692 12.184 19.899
593 HG12 VAL 6 HG12 VAL 6 18.412 12.573 19.875
594 HG13 VAL 6 HG13 VAL 6 17.317 13.329 18.694
595 HG21 VAL 6 HG21 VAL 6 16.533 10.213 16.822
596 HG22 VAL 6 HG22 VAL 6 15.750 10.520 18.378
597 HG23 VAL 6 HG23 VAL 6 15.976 11.846 17.227
598 H VAL 7 H VAL 7 19.513 13.993 17.452
599 HA VAL 7 HA VAL 7 21.733 13.476 19.350
600 HB VAL 7 HB VAL 7 22.788 13.744 17.179
601 HG11 VAL 7 HG11 VAL 7 22.742 15.870 15.942
602 HG12 VAL 7 HG12 VAL 7 21.140 15.136 15.986
603 HG13 VAL 7 HG13 VAL 7 21.517 16.516 17.051
604 HG21 VAL 7 HG21 VAL 7 24.397 15.448 17.741
605 HG22 VAL 7 HG22 VAL 7 23.271 16.249 18.846
606 HG23 VAL 7 HG23 VAL 7 23.911 14.632 19.235
607 H LEU 8 H LEU 8 22.023 14.966 20.938
608 HA LEU 8 HA LEU 8 20.424 17.447 21.002
609 HB2 LEU 8 HB2 LEU 8 19.290 16.924 23.050
610 HB3 LEU 8 HB3 LEU 8 18.950 15.698 21.847
611 HG LEU 8 HG LEU 8 20.968 14.417 23.088
612 HD11 LEU 8 HD11 LEU 8 19.710 16.122 25.280
613 HD12 LEU 8 HD12 LEU 8 20.737 14.713 25.553
614 HD13 LEU 8 HD13 LEU 8 21.410 16.151 24.790
615 HD21 LEU 8 HD21 LEU 8 18.696 13.569 22.731
616 HD22 LEU 8 HD22 LEU 8 19.279 13.205 24.354
617 HD23 LEU 8 HD23 LEU 8 18.118 14.520 24.127
618 H THR 9 H THR 9 20.997 18.897 22.704
619 HA THR 9 HA THR 9 23.732 18.483 23.854
620 HB THR 9 HB THR 9 22.474 21.178 23.252
621 HG1 THR 9 HG1 THR 9 22.840 20.126 21.324
622 HG21 THR 9 HG21 THR 9 24.276 21.244 24.935
623 HG22 THR 9 HG22 THR 9 25.337 20.293 23.868
624 HG23 THR 9 HG23 THR 9 24.840 21.936 23.412
625 H LYS 10 H LYS 10 23.966 18.590 25.976
626 HA LYS 10 HA LYS 10 21.627 18.844 27.755
627 HB2 LYS 10 HB2 LYS 10 24.588 18.314 28.307
628 HB3 LYS 10 HB3 LYS 10 23.310 18.252 29.510
629 HG2 LYS 10 HG2 LYS 10 22.197 16.440 28.086
630 HG3 LYS 10 HG3 LYS 10 23.701 16.356 27.160
631 HD2 LYS 10 HD2 LYS 10 23.463 15.995 30.187
632 HD3 LYS 10 HD3 LYS 10 23.544 14.664 29.023
633 HE2 LYS 10 HE2 LYS 10 25.779 15.110 28.438
634 HE3 LYS 10 HE3 LYS 10 25.740 16.752 29.099
635 HZ1 LYS 10 HZ1 LYS 10 25.674 15.893 31.305
636 HZ2 LYS 10 HZ2 LYS 10 25.536 14.336 30.802
637 HZ3 LYS 10 HZ3 LYS 10 26.925 15.154 30.552
638 H ALA 11 H ALA 11 21.651 20.193 29.676
639 HA ALA 11 HA ALA 11 22.501 22.927 29.384
640 HB1 ALA 11 HB1 ALA 11 21.700 21.295 31.844
641 HB2 ALA 11 HB2 ALA 11 21.829 23.064 31.776
642 HB3 ALA 11 HB3 ALA 11 20.611 22.240 30.792
643 H ASP 12 H ASP 12 24.193 20.062 30.491
644 HA ASP 12 HA ASP 12 26.413 21.340 31.831
645 HB2 ASP 12 HB2 ASP 12 26.305 18.700 30.319
646 HB3 ASP 12 HB3 ASP 12 27.535 19.176 31.496
647 H GLY 13 H GLY 13 25.561 21.408 28.511
648 HA2 GLY 13 HA2 GLY 13 26.683 22.308 26.693
649 HA3 GLY 13 HA3 GLY 13 28.187 22.378 27.608
650 H GLY 14 H GLY 14 27.376 19.306 28.184
651 HA2 GLY 14 HA2 GLY 14 28.904 18.073 26.020
652 HA3 GLY 14 HA3 GLY 14 28.086 17.248 27.346
653 H ARG 15 H ARG 15 27.974 16.131 24.884
654 HA ARG 15 HA ARG 15 25.145 16.519 23.979
655 HB2 ARG 15 HB2 ARG 15 27.629 16.238 22.256
656 HB3 ARG 15 HB3 ARG 15 26.002 15.897 21.658
657 HG2 ARG 15 HG2 ARG 15 25.267 18.149 22.258
658 HG3 ARG 15 HG3 ARG 15 26.881 18.560 22.854
659 HD2 ARG 15 HD2 ARG 15 27.809 18.396 20.643
660 HD3 ARG 15 HD3 ARG 15 26.307 17.692 19.996
661 HE ARG 15 HE ARG 15 25.332 19.979 20.975
662 HH11 ARG 15 HH11 ARG 15 28.166 19.634 18.916
663 HH12 ARG 15 HH12 ARG 15 27.969 21.245 18.266
664 HH21 ARG 15 HH21 ARG 15 25.146 21.936 20.113
665 HH22 ARG 15 HH22 ARG 15 26.281 22.518 18.918
666 H VAL 16 H VAL 16 24.092 14.830 23.068
667 HA VAL 16 HA VAL 16 25.043 12.073 23.721
668 HB VAL 16 HB VAL 16 22.375 13.291 24.514
669 HG11 VAL 16 HG11 VAL 16 21.973 10.980 23.839
670 HG12 VAL 16 HG12 VAL 16 23.333 10.426 24.849
671 HG13 VAL 16 HG13 VAL 16 21.872 11.114 25.594
672 HG21 VAL 16 HG21 VAL 16 24.135 13.909 26.101
673 HG22 VAL 16 HG22 VAL 16 23.063 12.720 26.832
674 HG23 VAL 16 HG23 VAL 16 24.653 12.205 26.220
675 H GLU 17 H GLU 17 24.353 10.489 22.337
676 HA GLU 17 HA GLU 17 22.596 11.239 20.061
677 HB2 GLU 17 HB2 GLU 17 25.263 9.803 19.904
678 HB3 GLU 17 HB3 GLU 17 24.088 9.873 18.583
679 HG2 GLU 17 HG2 GLU 17 24.271 12.310 18.496
680 HG3 GLU 17 HG3 GLU 17 25.384 12.310 19.875
681 H ILE 18 H ILE 18 21.389 9.595 19.122
682 HA ILE 18 HA ILE 18 21.315 6.927 20.461
683 HB ILE 18 HB ILE 18 18.851 8.592 19.865
684 HG12 ILE 18 HG12 ILE 18 19.838 7.966 22.675
685 HG13 ILE 18 HG13 ILE 18 20.225 9.481 21.861
686 HG21 ILE 18 HG21 ILE 18 17.625 6.831 21.086
687 HG22 ILE 18 HG22 ILE 18 18.492 6.157 19.720
688 HG23 ILE 18 HG23 ILE 18 19.144 5.955 21.357
689 HD11 ILE 18 HD11 ILE 18 17.826 9.972 21.551
690 HD12 ILE 18 HD12 ILE 18 17.432 8.549 22.547
691 HD13 ILE 18 HD13 ILE 18 18.365 9.894 23.240
692 H GLY 19 H GLY 19 21.396 5.359 18.987
693 HA2 GLY 19 HA2 GLY 19 20.810 5.905 16.118
694 HA3 GLY 19 HA3 GLY 19 21.705 4.538 16.774
695 H ASP 20 H ASP 20 19.828 4.135 14.853
696 HA ASP 20 HA ASP 20 18.068 2.872 14.255
697 HB2 ASP 20 HB2 ASP 20 18.586 1.423 16.857
698 HB3 ASP 20 HB3 ASP 20 17.802 0.788 15.409
699 H VAL 21 H VAL 21 17.213 5.257 15.361
700 HA VAL 21 HA VAL 21 15.032 4.894 17.243
701 HB VAL 21 HB VAL 21 15.932 7.260 15.578
702 HG11 VAL 21 HG11 VAL 21 14.513 8.611 17.123
703 HG12 VAL 21 HG12 VAL 21 13.584 7.615 16.009
704 HG13 VAL 21 HG13 VAL 21 13.764 7.102 17.702
705 HG21 VAL 21 HG21 VAL 21 17.514 6.579 17.338
706 HG22 VAL 21 HG22 VAL 21 16.728 8.092 17.780
707 HG23 VAL 21 HG23 VAL 21 16.210 6.574 18.535
708 H LEU 22 H LEU 22 13.102 4.189 16.855
709 HA LEU 22 HA LEU 22 11.871 4.104 14.166
710 HB2 LEU 22 HB2 LEU 22 11.002 3.239 16.960
711 HB3 LEU 22 HB3 LEU 22 9.897 3.232 15.599
712 HG LEU 22 HG LEU 22 12.473 1.615 15.664
713 HD11 LEU 22 HD11 LEU 22 10.879 0.861 17.392
714 HD12 LEU 22 HD12 LEU 22 9.561 0.827 16.199
715 HD13 LEU 22 HD13 LEU 22 10.912 -0.305 16.050
716 HD21 LEU 22 HD21 LEU 22 11.557 2.102 13.358
717 HD22 LEU 22 HD22 LEU 22 11.457 0.389 13.783
718 HD23 LEU 22 HD23 LEU 22 10.003 1.419 13.863
719 H GLU 23 H GLU 23 11.611 6.044 17.212
720 HA GLU 23 HA GLU 23 9.772 7.900 15.843
721 HB2 GLU 23 HB2 GLU 23 8.422 5.932 16.702
722 HB3 GLU 23 HB3 GLU 23 8.877 6.422 18.341
723 HG2 GLU 23 HG2 GLU 23 7.757 8.606 17.983
724 HG3 GLU 23 HG3 GLU 23 7.339 8.120 16.327
725 H VAL 24 H VAL 24 9.557 9.885 16.780
726 HA VAL 24 HA VAL 24 10.841 10.450 19.413
727 HB VAL 24 HB VAL 24 11.223 12.135 16.922
728 HG11 VAL 24 HG11 VAL 24 11.143 13.523 18.967
729 HG12 VAL 24 HG12 VAL 24 12.338 12.480 19.745
730 HG13 VAL 24 HG13 VAL 24 12.783 13.448 18.328
731 HG21 VAL 24 HG21 VAL 24 13.630 11.583 17.194
732 HG22 VAL 24 HG22 VAL 24 13.200 10.425 18.465
733 HG23 VAL 24 HG23 VAL 24 12.655 10.175 16.787
734 H ARG 25 H ARG 25 9.710 11.879 20.658
735 HA ARG 25 HA ARG 25 7.190 13.112 19.565
736 HB2 ARG 25 HB2 ARG 25 7.229 11.615 22.197
737 HB3 ARG 25 HB3 ARG 25 5.850 12.099 21.211
738 HG2 ARG 25 HG2 ARG 25 6.512 10.338 19.534
739 HG3 ARG 25 HG3 ARG 25 7.843 9.866 20.596
740 HD2 ARG 25 HD2 ARG 25 6.134 9.446 22.425
741 HD3 ARG 25 HD3 ARG 25 4.874 9.686 21.205
742 HE ARG 25 HE ARG 25 5.490 7.695 20.114
743 HH11 ARG 25 HH11 ARG 25 7.814 5.331 21.039
744 HH12 ARG 25 HH12 ARG 25 6.544 5.753 19.885
745 HH21 ARG 25 HH21 ARG 25 7.753 8.192 22.797
746 HH22 ARG 25 HH22 ARG 25 8.493 6.630 22.497
747 H ALA 26 H ALA 26 6.876 15.158 20.246
748 HA ALA 26 HA ALA 26 8.315 16.142 22.678
749 HB1 ALA 26 HB1 ALA 26 7.977 18.370 21.731
750 HB2 ALA 26 HB2 ALA 26 8.823 17.327 20.576
751 HB3 ALA 26 HB3 ALA 26 7.100 17.680 20.346
752 H GLU 27 H GLU 27 7.140 16.332 24.479
753 HA GLU 27 HA GLU 27 4.377 17.270 24.480
754 HB2 GLU 27 HB2 GLU 27 4.122 14.868 23.896
755 HB3 GLU 27 HB3 GLU 27 4.945 14.395 25.366
756 HG2 GLU 27 HG2 GLU 27 2.437 16.115 25.345
757 HG3 GLU 27 HG3 GLU 27 2.360 14.359 25.240
758 H GLY 28 H GLY 28 3.819 18.228 26.407
759 HA2 GLY 28 HA2 GLY 28 3.922 18.922 28.591
760 HA3 GLY 28 HA3 GLY 28 4.739 17.394 28.952
761 H GLY 29 H GLY 29 6.156 19.805 26.780
762 HA2 GLY 29 HA2 GLY 29 8.008 21.157 26.972
763 HA3 GLY 29 HA3 GLY 29 7.934 21.044 28.729
764 H ALA 30 H ALA 30 8.099 18.099 26.848
765 HA ALA 30 HA ALA 30 11.037 17.792 27.215
766 HB1 ALA 30 HB1 ALA 30 9.848 16.856 29.232
767 HB2 ALA 30 HB2 ALA 30 8.895 15.826 28.156
768 HB3 ALA 30 HB3 ALA 30 10.648 15.582 28.280
769 H VAL 31 H VAL 31 11.944 16.088 25.928
770 HA VAL 31 HA VAL 31 10.196 15.069 23.720
771 HB VAL 31 HB VAL 31 13.149 15.702 23.574
772 HG11 VAL 31 HG11 VAL 31 12.836 13.649 22.311
773 HG12 VAL 31 HG12 VAL 31 11.327 14.258 21.591
774 HG13 VAL 31 HG13 VAL 31 12.879 14.980 21.166
775 HG21 VAL 31 HG21 VAL 31 11.542 17.601 23.266
776 HG22 VAL 31 HG22 VAL 31 12.423 17.210 21.782
777 HG23 VAL 31 HG23 VAL 31 10.731 16.694 21.989
778 H ARG 32 H ARG 32 10.171 12.968 23.237
779 HA ARG 32 HA ARG 32 11.756 11.044 24.889
780 HB2 ARG 32 HB2 ARG 32 8.790 10.944 24.203
781 HB3 ARG 32 HB3 ARG 32 9.684 9.606 24.940
782 HG2 ARG 32 HG2 ARG 32 10.138 10.873 26.943
783 HG3 ARG 32 HG3 ARG 32 9.545 12.370 26.217
784 HD2 ARG 32 HD2 ARG 32 7.263 11.147 25.978
785 HD3 ARG 32 HD3 ARG 32 7.938 9.943 27.082
786 HE ARG 32 HE ARG 32 7.649 11.438 28.839
787 HH11 ARG 32 HH11 ARG 32 7.531 13.367 25.903
788 HH12 ARG 32 HH12 ARG 32 7.015 14.802 26.779
789 HH21 ARG 32 HH21 ARG 32 6.923 13.311 29.842
790 HH22 ARG 32 HH22 ARG 32 6.607 14.720 28.866
791 H VAL 33 H VAL 33 12.192 9.056 23.940
792 HA VAL 33 HA VAL 33 11.972 8.912 20.957
793 HB VAL 33 HB VAL 33 14.552 8.434 22.448
794 HG11 VAL 33 HG11 VAL 33 13.969 8.624 19.509
795 HG12 VAL 33 HG12 VAL 33 15.596 8.554 20.223
796 HG13 VAL 33 HG13 VAL 33 14.505 7.193 20.396
797 HG21 VAL 33 HG21 VAL 33 15.401 10.543 21.424
798 HG22 VAL 33 HG22 VAL 33 13.755 10.901 20.853
799 HG23 VAL 33 HG23 VAL 33 14.111 10.846 22.587
800 H THR 34 H THR 34 11.898 6.884 20.071
801 HA THR 34 HA THR 34 12.216 4.509 21.882
802 HB THR 34 HB THR 34 9.995 4.929 19.868
803 HG1 THR 34 HG1 THR 34 9.947 4.664 22.684
804 HG21 THR 34 HG21 THR 34 10.537 2.568 19.924
805 HG22 THR 34 HG22 THR 34 10.599 2.564 21.696
806 HG23 THR 34 HG23 THR 34 9.056 2.812 20.845
807 H THR 35 H THR 35 13.382 2.869 21.087
808 HA THR 35 HA THR 35 14.324 2.965 18.247
809 HB THR 35 HB THR 35 16.262 1.757 18.925
810 HG1 THR 35 HG1 THR 35 16.498 1.315 21.215
811 HG21 THR 35 HG21 THR 35 15.812 3.911 21.036
812 HG22 THR 35 HG22 THR 35 17.360 3.299 20.419
813 HG23 THR 35 HG23 THR 35 16.296 4.224 19.349
814 H LEU 36 H LEU 36 14.833 0.813 17.215
815 HA LEU 36 HA LEU 36 12.574 -0.978 17.421
816 HB2 LEU 36 HB2 LEU 36 13.770 -2.388 15.805
817 HB3 LEU 36 HB3 LEU 36 13.473 -0.748 15.297
818 HG LEU 36 HG LEU 36 15.736 -0.153 15.355
819 HD11 LEU 36 HD11 LEU 36 16.343 -2.749 16.852
820 HD12 LEU 36 HD12 LEU 36 17.569 -1.692 16.131
821 HD13 LEU 36 HD13 LEU 36 16.574 -1.080 17.442
822 HD21 LEU 36 HD21 LEU 36 16.750 -1.764 13.847
823 HD22 LEU 36 HD22 LEU 36 15.705 -3.064 14.450
824 HD23 LEU 36 HD23 LEU 36 14.997 -1.736 13.530
825 H PHE 37 H PHE 37 15.207 -0.837 19.492
826 HA PHE 37 HA PHE 37 15.133 -3.671 20.273
827 HB2 PHE 37 HB2 PHE 37 16.356 -1.260 21.672
828 HB3 PHE 37 HB3 PHE 37 16.616 -2.942 22.092
829 HD1 PHE 37 HD1 PHE 37 17.564 -4.502 20.152
830 HD2 PHE 37 HD2 PHE 37 17.921 -0.203 20.226
831 HE1 PHE 37 HE1 PHE 37 19.470 -4.627 18.565
832 HE2 PHE 37 HE2 PHE 37 19.836 -0.335 18.656
833 HZ PHE 37 HZ PHE 37 20.606 -2.542 17.817
834 H ASP 38 H ASP 38 12.888 -1.280 20.531
835 HA ASP 38 HA ASP 38 11.206 -0.686 21.828
836 HB2 ASP 38 HB2 ASP 38 10.717 -3.153 21.708
837 HB3 ASP 38 HB3 ASP 38 11.416 -3.313 23.316
838 H GLU 39 H GLU 39 13.985 -0.097 22.593
839 HA GLU 39 HA GLU 39 13.825 0.445 25.492
840 HB2 GLU 39 HB2 GLU 39 15.935 -0.316 24.543
841 HB3 GLU 39 HB3 GLU 39 15.992 1.080 23.467
842 HG2 GLU 39 HG2 GLU 39 16.222 2.617 25.315
843 HG3 GLU 39 HG3 GLU 39 15.857 1.342 26.486
844 H GLU 40 H GLU 40 13.575 2.454 26.381
845 HA GLU 40 HA GLU 40 12.602 4.641 24.594
846 HB2 GLU 40 HB2 GLU 40 11.486 3.726 27.259
847 HB3 GLU 40 HB3 GLU 40 11.015 5.212 26.427
848 HG2 GLU 40 HG2 GLU 40 10.261 3.913 24.469
849 HG3 GLU 40 HG3 GLU 40 10.687 2.412 25.292
850 H HIS 41 H HIS 41 12.903 6.726 25.203
851 HA HIS 41 HA HIS 41 14.771 7.351 27.452
852 HB2 HIS 41 HB2 HIS 41 15.045 8.482 24.644
853 HB3 HIS 41 HB3 HIS 41 16.112 8.741 26.019
854 HD2 HIS 41 HD2 HIS 41 15.369 6.250 23.213
855 HE1 HIS 41 HE1 HIS 41 18.760 4.716 25.302
856 HE2 HIS 41 HE2 HIS 41 17.300 4.452 23.238
857 H ALA 42 H ALA 42 14.710 9.561 28.162
858 HA ALA 42 HA ALA 42 12.592 11.329 27.122
859 HB1 ALA 42 HB1 ALA 42 12.712 10.452 30.037
860 HB2 ALA 42 HB2 ALA 42 11.632 11.686 29.358
861 HB3 ALA 42 HB3 ALA 42 11.452 9.988 28.863
862 H PHE 43 H PHE 43 13.061 13.398 27.238
863 HA PHE 43 HA PHE 43 15.455 14.386 28.717
864 HB2 PHE 43 HB2 PHE 43 14.841 14.846 25.800
865 HB3 PHE 43 HB3 PHE 43 16.219 15.472 26.718
866 HD1 PHE 43 HD1 PHE 43 17.874 13.809 27.754
867 HD2 PHE 43 HD2 PHE 43 14.987 12.729 24.741
868 HE1 PHE 43 HE1 PHE 43 19.149 11.727 27.277
869 HE2 PHE 43 HE2 PHE 43 16.274 10.663 24.260
870 HZ PHE 43 HZ PHE 43 18.346 10.148 25.547
871 HA PRO 44 HA PRO 44 12.008 17.361 29.385
872 HB2 PRO 44 HB2 PRO 44 12.751 18.207 31.890
873 HB3 PRO 44 HB3 PRO 44 11.777 16.739 31.572
874 HG2 PRO 44 HG2 PRO 44 14.760 16.944 32.052
875 HG3 PRO 44 HG3 PRO 44 13.590 15.777 32.767
876 HD2 PRO 44 HD2 PRO 44 15.181 15.161 30.646
877 HD3 PRO 44 HD3 PRO 44 13.526 14.509 30.773
878 H GLY 45 H GLY 45 11.951 19.537 29.117
879 HA2 GLY 45 HA2 GLY 45 12.704 21.729 28.904
880 HA3 GLY 45 HA3 GLY 45 14.358 21.230 29.263
881 H LEU 46 H LEU 46 13.228 19.156 26.857
882 HA LEU 46 HA LEU 46 14.461 20.801 24.699
883 HB2 LEU 46 HB2 LEU 46 13.962 17.815 24.772
884 HB3 LEU 46 HB3 LEU 46 14.741 18.709 23.479
885 HG LEU 46 HG LEU 46 15.840 18.212 26.267
886 HD11 LEU 46 HD11 LEU 46 16.946 17.551 23.505
887 HD12 LEU 46 HD12 LEU 46 17.542 16.986 25.078
888 HD13 LEU 46 HD13 LEU 46 15.990 16.420 24.462
889 HD21 LEU 46 HD21 LEU 46 16.505 20.494 25.651
890 HD22 LEU 46 HD22 LEU 46 17.883 19.399 25.477
891 HD23 LEU 46 HD23 LEU 46 17.006 19.939 24.033
892 H ALA 47 H ALA 47 13.681 20.674 22.583
893 HA ALA 47 HA ALA 47 10.996 19.625 22.004
894 HB1 ALA 47 HB1 ALA 47 10.611 22.016 22.491
895 HB2 ALA 47 HB2 ALA 47 11.886 22.473 21.338
896 HB3 ALA 47 HB3 ALA 47 10.395 21.697 20.760
897 H ILE 48 H ILE 48 10.731 19.249 19.636
898 HA ILE 48 HA ILE 48 13.217 18.323 18.399
899 HB ILE 48 HB ILE 48 10.403 18.405 17.279
900 HG12 ILE 48 HG12 ILE 48 11.834 15.935 18.336
901 HG13 ILE 48 HG13 ILE 48 10.829 16.932 19.382
902 HG21 ILE 48 HG21 ILE 48 12.919 16.954 16.326
903 HG22 ILE 48 HG22 ILE 48 11.296 16.707 15.651
904 HG23 ILE 48 HG23 ILE 48 12.082 18.270 15.480
905 HD11 ILE 48 HD11 ILE 48 8.885 16.605 17.853
906 HD12 ILE 48 HD12 ILE 48 9.861 15.448 16.916
907 HD13 ILE 48 HD13 ILE 48 9.467 15.120 18.609
908 H GLY 49 H GLY 49 14.571 19.569 17.279
909 HA2 GLY 49 HA2 GLY 49 13.751 22.330 16.529
910 HA3 GLY 49 HA3 GLY 49 15.382 21.701 16.718
911 H ARG 50 H ARG 50 15.137 19.395 15.002
912 HA ARG 50 HA ARG 50 14.535 20.396 12.281
913 HB2 ARG 50 HB2 ARG 50 16.651 21.513 12.799
914 HB3 ARG 50 HB3 ARG 50 17.354 19.991 13.337
915 HG2 ARG 50 HG2 ARG 50 17.309 19.127 11.028
916 HG3 ARG 50 HG3 ARG 50 16.567 20.641 10.474
917 HD2 ARG 50 HD2 ARG 50 18.538 21.906 11.223
918 HD3 ARG 50 HD3 ARG 50 19.252 20.431 11.889
919 HE ARG 50 HE ARG 50 18.781 20.970 8.960
920 HH11 ARG 50 HH11 ARG 50 20.704 19.214 11.342
921 HH12 ARG 50 HH12 ARG 50 21.791 18.641 10.100
922 HH21 ARG 50 HH21 ARG 50 20.092 20.284 7.572
923 HH22 ARG 50 HH22 ARG 50 21.451 19.220 7.958
924 H VAL 51 H VAL 51 14.532 18.851 10.709
925 HA VAL 51 HA VAL 51 15.580 16.145 11.326
926 HB VAL 51 HB VAL 51 13.006 16.428 9.784
927 HG11 VAL 51 HG11 VAL 51 14.290 14.431 9.262
928 HG12 VAL 51 HG12 VAL 51 14.408 14.026 10.986
929 HG13 VAL 51 HG13 VAL 51 12.836 14.008 10.159
930 HG21 VAL 51 HG21 VAL 51 13.281 15.683 12.710
931 HG22 VAL 51 HG22 VAL 51 12.428 17.101 12.046
932 HG23 VAL 51 HG23 VAL 51 11.819 15.482 11.713
933 H ASP 52 H ASP 52 16.884 15.425 9.755
934 HA ASP 52 HA ASP 52 16.796 16.655 7.017
935 HB2 ASP 52 HB2 ASP 52 18.701 17.572 8.158
936 HB3 ASP 52 HB3 ASP 52 19.199 15.981 8.745
937 H LEU 53 H LEU 53 16.049 15.158 5.675
938 HA LEU 53 HA LEU 53 16.167 12.319 6.351
939 HB2 LEU 53 HB2 LEU 53 14.910 13.806 4.009
940 HB3 LEU 53 HB3 LEU 53 14.756 12.090 4.317
941 HG LEU 53 HG LEU 53 12.777 13.011 5.017
942 HD11 LEU 53 HD11 LEU 53 13.651 11.366 6.612
943 HD12 LEU 53 HD12 LEU 53 14.363 12.676 7.588
944 HD13 LEU 53 HD13 LEU 53 12.611 12.563 7.416
945 HD21 LEU 53 HD21 LEU 53 13.430 15.393 5.213
946 HD22 LEU 53 HD22 LEU 53 12.390 14.830 6.526
947 HD23 LEU 53 HD23 LEU 53 14.113 15.067 6.819
948 H ARG 54 H ARG 54 18.147 14.398 4.543
949 HA ARG 54 HA ARG 54 19.196 12.533 2.584
950 HB2 ARG 54 HB2 ARG 54 20.356 15.065 3.824
951 HB3 ARG 54 HB3 ARG 54 21.074 14.216 2.463
952 HG2 ARG 54 HG2 ARG 54 19.179 14.639 1.050
953 HG3 ARG 54 HG3 ARG 54 18.205 15.285 2.372
954 HD2 ARG 54 HD2 ARG 54 20.764 16.571 1.350
955 HD3 ARG 54 HD3 ARG 54 19.124 17.024 0.863
956 HE ARG 54 HE ARG 54 19.692 17.057 3.781
957 HH11 ARG 54 HH11 ARG 54 19.339 19.133 0.936
958 HH12 ARG 54 HH12 ARG 54 19.080 20.524 1.951
959 HH21 ARG 54 HH21 ARG 54 19.356 18.732 4.876
960 HH22 ARG 54 HH22 ARG 54 18.989 20.315 4.180
961 H SER 55 H SER 55 20.217 13.387 5.908
962 HA SER 55 HA SER 55 22.030 11.010 5.929
963 HB2 SER 55 HB2 SER 55 22.908 13.293 6.533
964 HB3 SER 55 HB3 SER 55 21.822 13.300 7.925
965 HG SER 55 HG SER 55 24.083 11.685 7.372
966 H GLY 56 H GLY 56 18.888 11.906 7.030
967 HA2 GLY 56 HA2 GLY 56 17.339 10.728 8.268
968 HA3 GLY 56 HA3 GLY 56 18.512 9.445 8.580
969 H VAL 57 H VAL 57 19.054 12.874 9.267
970 HA VAL 57 HA VAL 57 19.610 12.260 12.123
971 HB VAL 57 HB VAL 57 20.269 14.621 10.330
972 HG11 VAL 57 HG11 VAL 57 20.780 14.380 13.324
973 HG12 VAL 57 HG12 VAL 57 21.532 15.575 12.245
974 HG13 VAL 57 HG13 VAL 57 19.788 15.617 12.520
975 HG21 VAL 57 HG21 VAL 57 22.565 13.978 10.777
976 HG22 VAL 57 HG22 VAL 57 22.037 12.757 11.949
977 HG23 VAL 57 HG23 VAL 57 21.684 12.548 10.213
978 H ILE 58 H ILE 58 18.472 12.966 13.780
979 HA ILE 58 HA ILE 58 16.396 15.100 13.437
980 HB ILE 58 HB ILE 58 16.402 12.638 15.198
981 HG12 ILE 58 HG12 ILE 58 14.282 13.676 13.273
982 HG13 ILE 58 HG13 ILE 58 15.496 12.462 12.860
983 HG21 ILE 58 HG21 ILE 58 14.610 15.106 15.436
984 HG22 ILE 58 HG22 ILE 58 14.317 13.560 16.260
985 HG23 ILE 58 HG23 ILE 58 15.751 14.479 16.660
986 HD11 ILE 58 HD11 ILE 58 13.228 12.162 14.846
987 HD12 ILE 58 HD12 ILE 58 13.522 11.268 13.355
988 HD13 ILE 58 HD13 ILE 58 14.597 11.018 14.752
989 H SER 59 H SER 59 16.882 16.918 14.534
990 HA SER 59 HA SER 59 18.975 16.801 16.704
991 HB2 SER 59 HB2 SER 59 18.317 19.222 15.028
992 HB3 SER 59 HB3 SER 59 19.596 19.030 16.227
993 HG SER 59 HG SER 59 19.367 17.624 13.751
994 H LEU 60 H LEU 60 18.349 17.284 18.660
995 HA LEU 60 HA LEU 60 15.755 18.686 19.130
996 HB2 LEU 60 HB2 LEU 60 17.458 17.223 21.151
997 HB3 LEU 60 HB3 LEU 60 15.790 17.765 21.326
998 HG LEU 60 HG LEU 60 16.776 15.495 19.537
999 HD11 LEU 60 HD11 LEU 60 16.717 14.941 21.914
1000 HD12 LEU 60 HD12 LEU 60 15.060 15.552 22.047
1001 HD13 LEU 60 HD13 LEU 60 15.406 14.111 21.058
1002 HD21 LEU 60 HD21 LEU 60 14.902 16.577 18.398
1003 HD22 LEU 60 HD22 LEU 60 14.350 15.069 19.128
1004 HD23 LEU 60 HD23 LEU 60 13.967 16.630 19.908
1005 H ILE 61 H ILE 61 15.600 20.441 20.475
1006 HA ILE 61 HA ILE 61 18.094 21.876 21.266
1007 HB ILE 61 HB ILE 61 17.181 23.974 20.384
1008 HG12 ILE 61 HG12 ILE 61 15.508 23.691 18.383
1009 HG13 ILE 61 HG13 ILE 61 14.960 22.243 19.196
1010 HG21 ILE 61 HG21 ILE 61 17.848 23.632 18.097
1011 HG22 ILE 61 HG22 ILE 61 18.854 22.627 19.146
1012 HG23 ILE 61 HG23 ILE 61 17.535 21.883 18.208
1013 HD11 ILE 61 HD11 ILE 61 14.236 23.582 21.131
1014 HD12 ILE 61 HD12 ILE 61 14.987 25.035 20.431
1015 HD13 ILE 61 HD13 ILE 61 13.583 24.277 19.643
1016 H GLU 62 H GLU 62 17.790 23.497 22.921
1017 HA GLU 62 HA GLU 62 15.901 22.748 24.949
1018 HB2 GLU 62 HB2 GLU 62 17.532 25.300 24.739
1019 HB3 GLU 62 HB3 GLU 62 16.719 24.667 26.165
1020 HG2 GLU 62 HG2 GLU 62 18.763 23.884 26.669
1021 HG3 GLU 62 HG3 GLU 62 18.243 22.523 25.686
1022 H GLU 63 H GLU 63 13.902 23.468 25.444
1023 HA GLU 63 HA GLU 63 12.448 24.474 23.239
1024 HB2 GLU 63 HB2 GLU 63 10.497 24.023 24.529
1025 HB3 GLU 63 HB3 GLU 63 11.677 22.737 24.728
1026 HG2 GLU 63 HG2 GLU 63 11.550 22.907 26.938
1027 HG3 GLU 63 HG3 GLU 63 12.163 24.547 26.873
1028 H GLN 64 H GLN 64 13.992 26.396 25.442
1029 HA GLN 64 HA GLN 64 12.283 28.728 24.710
1030 HB2 GLN 64 HB2 GLN 64 14.013 28.398 27.182
1031 HB3 GLN 64 HB3 GLN 64 13.097 29.849 26.784
1032 HG2 GLN 64 HG2 GLN 64 11.908 27.118 27.429
1033 HG3 GLN 64 HG3 GLN 64 11.968 28.487 28.528
1034 HE21 GLN 64 HE21 GLN 64 9.601 27.014 27.487
1035 HE22 GLN 64 HE22 GLN 64 8.597 28.273 26.749
1036 H ASN 65 H ASN 65 14.814 27.388 23.704
1037 HA ASN 65 HA ASN 65 16.424 29.864 23.177
1038 HB2 ASN 65 HB2 ASN 65 17.337 26.969 23.206
1039 HB3 ASN 65 HB3 ASN 65 18.334 28.337 22.739
1040 HD21 ASN 65 HD21 ASN 65 19.332 29.582 24.299
1041 HD22 ASN 65 HD22 ASN 65 19.117 29.308 26.020
1042 H ARG 66 H ARG 66 14.146 29.631 21.856
1043 HA ARG 66 HA ARG 66 14.857 29.067 19.018
1044 HB2 ARG 66 HB2 ARG 66 12.845 27.754 18.667
1045 HB3 ARG 66 HB3 ARG 66 13.847 27.016 19.916
1046 HG2 ARG 66 HG2 ARG 66 12.368 28.051 21.675
1047 HG3 ARG 66 HG3 ARG 66 11.362 28.724 20.392
1048 HD2 ARG 66 HD2 ARG 66 10.957 26.359 19.562
1049 HD3 ARG 66 HD3 ARG 66 11.846 25.773 20.977
1050 HE ARG 66 HE ARG 66 10.127 26.514 22.412
1051 HH11 ARG 66 HH11 ARG 66 9.271 27.482 19.114
1052 HH12 ARG 66 HH12 ARG 66 7.678 28.005 19.682
1053 HH21 ARG 66 HH21 ARG 66 7.974 27.126 22.863
1054 HH22 ARG 66 HH22 ARG 66 7.025 27.813 21.545
Start of MODEL 19
1 H1 GLY -3 H1 GLY -3 24.880 3.012 -2.064
2 H2 GLY -3 H2 GLY -3 25.996 1.834 -2.304
3 H3 GLY -3 H3 GLY -3 26.220 2.943 -1.117
4 HA2 GLY -3 HA2 GLY -3 25.519 0.850 -0.166
5 HA3 GLY -3 HA3 GLY -3 24.323 2.124 0.101
6 HA PRO -2 HA PRO -2 22.740 -1.299 -2.995
7 HB2 PRO -2 HB2 PRO -2 22.809 -3.380 -0.819
8 HB3 PRO -2 HB3 PRO -2 23.017 -3.576 -2.586
9 HG2 PRO -2 HG2 PRO -2 25.175 -3.614 -0.947
10 HG3 PRO -2 HG3 PRO -2 25.240 -2.699 -2.487
11 HD2 PRO -2 HD2 PRO -2 24.689 -1.638 0.305
12 HD3 PRO -2 HD3 PRO -2 25.810 -1.019 -0.941
13 H GLY -1 H GLY -1 22.008 -1.033 0.487
14 HA2 GLY -1 HA2 GLY -1 19.124 -1.482 0.187
15 HA3 GLY -1 HA3 GLY -1 19.960 -0.968 1.652
16 H SER 0 H SER 0 17.474 0.062 0.413
17 HA SER 0 HA SER 0 18.094 2.929 0.528
18 HB2 SER 0 HB2 SER 0 17.101 3.494 -1.611
19 HB3 SER 0 HB3 SER 0 18.480 2.402 -1.854
20 HG SER 0 HG SER 0 16.678 1.803 -3.116
21 H MET 1 H MET 1 16.215 4.308 0.555
22 HA MET 1 HA MET 1 13.544 3.222 0.828
23 HB2 MET 1 HB2 MET 1 13.089 3.897 3.063
24 HB3 MET 1 HB3 MET 1 14.419 2.762 3.095
25 HG2 MET 1 HG2 MET 1 14.748 5.785 3.261
26 HG3 MET 1 HG3 MET 1 14.566 4.746 4.659
27 HE1 MET 1 HE1 MET 1 18.305 6.219 4.306
28 HE2 MET 1 HE2 MET 1 16.865 6.893 3.502
29 HE3 MET 1 HE3 MET 1 16.782 6.372 5.209
30 H CYS 2 H CYS 2 11.956 4.945 1.275
31 HA CYS 2 HA CYS 2 12.526 7.292 -0.406
32 HB2 CYS 2 HB2 CYS 2 10.502 5.862 -0.664
33 HB3 CYS 2 HB3 CYS 2 9.974 6.346 0.965
34 HG CYS 2 HG CYS 2 9.654 8.844 0.520
35 H MET 3 H MET 3 12.185 9.458 0.217
36 HA MET 3 HA MET 3 12.864 10.267 2.906
37 HB2 MET 3 HB2 MET 3 11.637 11.887 0.621
38 HB3 MET 3 HB3 MET 3 12.273 12.530 2.123
39 HG2 MET 3 HG2 MET 3 13.980 12.893 0.609
40 HG3 MET 3 HG3 MET 3 14.518 11.511 1.550
41 HE1 MET 3 HE1 MET 3 11.955 11.649 -1.614
42 HE2 MET 3 HE2 MET 3 13.201 12.907 -1.836
43 HE3 MET 3 HE3 MET 3 13.154 11.489 -2.903
44 H ALA 4 H ALA 4 11.484 11.690 4.229
45 HA ALA 4 HA ALA 4 8.924 10.505 4.838
46 HB1 ALA 4 HB1 ALA 4 8.968 12.154 6.689
47 HB2 ALA 4 HB2 ALA 4 10.528 11.342 6.532
48 HB3 ALA 4 HB3 ALA 4 10.312 13.003 5.922
49 H LYS 5 H LYS 5 7.117 12.154 5.465
50 HA LYS 5 HA LYS 5 6.840 14.477 3.643
51 HB2 LYS 5 HB2 LYS 5 4.494 14.084 3.261
52 HB3 LYS 5 HB3 LYS 5 5.439 12.724 2.662
53 HG2 LYS 5 HG2 LYS 5 4.842 11.418 4.714
54 HG3 LYS 5 HG3 LYS 5 3.845 12.777 5.272
55 HD2 LYS 5 HD2 LYS 5 2.439 12.592 3.249
56 HD3 LYS 5 HD3 LYS 5 3.454 11.253 2.657
57 HE2 LYS 5 HE2 LYS 5 2.886 9.942 4.708
58 HE3 LYS 5 HE3 LYS 5 1.834 11.267 5.253
59 HZ1 LYS 5 HZ1 LYS 5 1.458 9.713 2.745
60 HZ2 LYS 5 HZ2 LYS 5 0.571 9.535 4.104
61 HZ3 LYS 5 HZ3 LYS 5 0.484 10.924 3.251
62 H VAL 6 H VAL 6 5.785 16.249 4.513
63 HA VAL 6 HA VAL 6 5.473 16.237 7.484
64 HB VAL 6 HB VAL 6 5.605 18.674 5.704
65 HG11 VAL 6 HG11 VAL 6 6.273 19.826 7.799
66 HG12 VAL 6 HG12 VAL 6 4.649 19.167 7.894
67 HG13 VAL 6 HG13 VAL 6 5.988 18.324 8.697
68 HG21 VAL 6 HG21 VAL 6 7.729 17.592 5.394
69 HG22 VAL 6 HG22 VAL 6 7.971 18.915 6.519
70 HG23 VAL 6 HG23 VAL 6 7.886 17.255 7.135
71 H VAL 7 H VAL 7 3.556 16.939 8.472
72 HA VAL 7 HA VAL 7 1.265 17.742 6.765
73 HB VAL 7 HB VAL 7 1.089 15.332 6.927
74 HG11 VAL 7 HG11 VAL 7 2.244 14.914 9.086
75 HG12 VAL 7 HG12 VAL 7 0.880 15.654 9.955
76 HG13 VAL 7 HG13 VAL 7 0.654 14.158 9.032
77 HG21 VAL 7 HG21 VAL 7 -1.191 15.161 7.676
78 HG22 VAL 7 HG22 VAL 7 -1.045 16.598 8.696
79 HG23 VAL 7 HG23 VAL 7 -0.981 16.752 6.929
80 H LEU 8 H LEU 8 -0.216 19.037 7.641
81 HA LEU 8 HA LEU 8 -0.189 19.792 10.493
82 HB2 LEU 8 HB2 LEU 8 0.367 22.103 10.114
83 HB3 LEU 8 HB3 LEU 8 1.639 21.082 9.500
84 HG LEU 8 HG LEU 8 0.181 21.412 7.196
85 HD11 LEU 8 HD11 LEU 8 -1.436 22.997 8.201
86 HD12 LEU 8 HD12 LEU 8 -0.097 24.028 8.729
87 HD13 LEU 8 HD13 LEU 8 -0.418 23.803 7.004
88 HD21 LEU 8 HD21 LEU 8 2.591 21.766 7.436
89 HD22 LEU 8 HD22 LEU 8 1.817 23.089 6.546
90 HD23 LEU 8 HD23 LEU 8 2.287 23.318 8.248
91 H THR 9 H THR 9 -1.892 21.192 11.112
92 HA THR 9 HA THR 9 -4.205 21.420 9.211
93 HB THR 9 HB THR 9 -4.410 21.145 12.232
94 HG1 THR 9 HG1 THR 9 -3.709 19.218 11.344
95 HG21 THR 9 HG21 THR 9 -6.479 21.014 9.979
96 HG22 THR 9 HG22 THR 9 -6.799 20.636 11.687
97 HG23 THR 9 HG23 THR 9 -6.351 22.282 11.214
98 H LYS 10 H LYS 10 -5.039 23.381 8.906
99 HA LYS 10 HA LYS 10 -3.710 25.766 10.031
100 HB2 LYS 10 HB2 LYS 10 -5.878 25.436 7.909
101 HB3 LYS 10 HB3 LYS 10 -5.054 26.949 8.307
102 HG2 LYS 10 HG2 LYS 10 -2.862 25.835 7.715
103 HG3 LYS 10 HG3 LYS 10 -3.771 24.455 7.095
104 HD2 LYS 10 HD2 LYS 10 -4.039 27.329 6.098
105 HD3 LYS 10 HD3 LYS 10 -3.067 26.054 5.333
106 HE2 LYS 10 HE2 LYS 10 -5.116 24.682 5.005
107 HE3 LYS 10 HE3 LYS 10 -6.095 25.965 5.740
108 HZ1 LYS 10 HZ1 LYS 10 -6.112 26.112 3.313
109 HZ2 LYS 10 HZ2 LYS 10 -5.404 27.437 3.936
110 HZ3 LYS 10 HZ3 LYS 10 -4.486 26.273 3.266
111 H ALA 11 H ALA 11 -4.988 27.636 10.744
112 HA ALA 11 HA ALA 11 -6.699 27.054 12.926
113 HB1 ALA 11 HB1 ALA 11 -5.283 29.065 12.726
114 HB2 ALA 11 HB2 ALA 11 -6.285 29.660 11.380
115 HB3 ALA 11 HB3 ALA 11 -6.981 29.508 13.009
116 H ASP 12 H ASP 12 -7.557 27.662 9.555
117 HA ASP 12 HA ASP 12 -10.444 27.898 10.062
118 HB2 ASP 12 HB2 ASP 12 -8.858 27.539 7.502
119 HB3 ASP 12 HB3 ASP 12 -10.585 27.858 7.583
120 H GLY 13 H GLY 13 -8.481 25.234 10.336
121 HA2 GLY 13 HA2 GLY 13 -9.089 23.035 10.678
122 HA3 GLY 13 HA3 GLY 13 -10.693 23.345 10.022
123 H GLY 14 H GLY 14 -8.621 24.487 7.691
124 HA2 GLY 14 HA2 GLY 14 -8.754 22.132 5.957
125 HA3 GLY 14 HA3 GLY 14 -7.950 23.661 5.604
126 H ARG 15 H ARG 15 -6.772 21.220 4.950
127 HA ARG 15 HA ARG 15 -4.416 21.091 6.802
128 HB2 ARG 15 HB2 ARG 15 -5.974 18.787 5.599
129 HB3 ARG 15 HB3 ARG 15 -4.315 18.625 6.214
130 HG2 ARG 15 HG2 ARG 15 -5.015 19.481 8.409
131 HG3 ARG 15 HG3 ARG 15 -6.697 19.585 7.862
132 HD2 ARG 15 HD2 ARG 15 -6.847 17.204 7.605
133 HD3 ARG 15 HD3 ARG 15 -5.101 17.002 7.868
134 HE ARG 15 HE ARG 15 -5.731 18.217 10.162
135 HH11 ARG 15 HH11 ARG 15 -7.400 15.459 8.726
136 HH12 ARG 15 HH12 ARG 15 -7.928 14.887 10.286
137 HH21 ARG 15 HH21 ARG 15 -6.437 17.431 12.051
138 HH22 ARG 15 HH22 ARG 15 -7.403 15.984 12.120
139 H VAL 16 H VAL 16 -2.467 20.477 6.014
140 HA VAL 16 HA VAL 16 -2.027 20.723 3.078
141 HB VAL 16 HB VAL 16 -0.490 22.285 5.185
142 HG11 VAL 16 HG11 VAL 16 0.621 23.359 3.251
143 HG12 VAL 16 HG12 VAL 16 0.992 21.640 3.346
144 HG13 VAL 16 HG13 VAL 16 -0.201 22.235 2.151
145 HG21 VAL 16 HG21 VAL 16 -2.420 23.267 3.040
146 HG22 VAL 16 HG22 VAL 16 -2.674 23.335 4.802
147 HG23 VAL 16 HG23 VAL 16 -1.393 24.295 4.064
148 H GLU 17 H GLU 17 -0.447 19.428 2.293
149 HA GLU 17 HA GLU 17 1.307 17.940 4.180
150 HB2 GLU 17 HB2 GLU 17 0.068 16.718 1.689
151 HB3 GLU 17 HB3 GLU 17 1.160 15.962 2.836
152 HG2 GLU 17 HG2 GLU 17 -0.913 15.087 3.431
153 HG3 GLU 17 HG3 GLU 17 -0.604 16.330 4.637
154 H ILE 18 H ILE 18 3.387 17.651 3.561
155 HA ILE 18 HA ILE 18 4.297 18.785 0.944
156 HB ILE 18 HB ILE 18 5.769 19.173 3.568
157 HG12 ILE 18 HG12 ILE 18 5.175 21.710 2.823
158 HG13 ILE 18 HG13 ILE 18 3.749 20.932 2.178
159 HG21 ILE 18 HG21 ILE 18 7.203 19.047 1.593
160 HG22 ILE 18 HG22 ILE 18 6.223 20.291 0.778
161 HG23 ILE 18 HG23 ILE 18 7.166 20.688 2.223
162 HD11 ILE 18 HD11 ILE 18 3.334 21.753 4.439
163 HD12 ILE 18 HD12 ILE 18 3.338 19.991 4.533
164 HD13 ILE 18 HD13 ILE 18 4.758 20.909 5.064
165 H GLY 19 H GLY 19 4.585 16.882 -0.090
166 HA2 GLY 19 HA2 GLY 19 5.959 14.586 1.108
167 HA3 GLY 19 HA3 GLY 19 5.351 14.708 -0.531
168 H ASP 20 H ASP 20 7.769 13.528 0.046
169 HA ASP 20 HA ASP 20 9.980 13.468 -0.416
170 HB2 ASP 20 HB2 ASP 20 9.287 15.372 -2.654
171 HB3 ASP 20 HB3 ASP 20 10.683 14.293 -2.561
172 H VAL 21 H VAL 21 9.560 15.071 1.732
173 HA VAL 21 HA VAL 21 10.972 17.599 1.522
174 HB VAL 21 HB VAL 21 9.283 17.470 3.157
175 HG11 VAL 21 HG11 VAL 21 10.690 15.045 4.308
176 HG12 VAL 21 HG12 VAL 21 9.499 15.996 5.204
177 HG13 VAL 21 HG13 VAL 21 9.020 15.203 3.701
178 HG21 VAL 21 HG21 VAL 21 10.371 18.246 5.082
179 HG22 VAL 21 HG22 VAL 21 11.869 17.349 4.750
180 HG23 VAL 21 HG23 VAL 21 11.392 18.726 3.733
181 H LEU 22 H LEU 22 13.050 18.115 1.931
182 HA LEU 22 HA LEU 22 14.971 15.882 2.457
183 HB2 LEU 22 HB2 LEU 22 15.483 18.663 1.362
184 HB3 LEU 22 HB3 LEU 22 16.662 17.372 1.561
185 HG LEU 22 HG LEU 22 14.366 17.491 -0.421
186 HD11 LEU 22 HD11 LEU 22 17.394 17.278 -0.719
187 HD12 LEU 22 HD12 LEU 22 16.221 17.285 -2.054
188 HD13 LEU 22 HD13 LEU 22 16.393 18.714 -1.020
189 HD21 LEU 22 HD21 LEU 22 16.165 15.122 0.202
190 HD22 LEU 22 HD22 LEU 22 14.394 15.181 0.285
191 HD23 LEU 22 HD23 LEU 22 15.191 15.283 -1.277
192 H GLU 23 H GLU 23 13.837 19.000 3.710
193 HA GLU 23 HA GLU 23 15.195 18.491 6.270
194 HB2 GLU 23 HB2 GLU 23 16.914 19.593 4.910
195 HB3 GLU 23 HB3 GLU 23 15.803 20.927 4.551
196 HG2 GLU 23 HG2 GLU 23 15.774 21.561 6.937
197 HG3 GLU 23 HG3 GLU 23 16.821 20.195 7.326
198 H VAL 24 H VAL 24 14.246 19.440 7.997
199 HA VAL 24 HA VAL 24 12.153 21.544 7.671
200 HB VAL 24 HB VAL 24 11.794 19.161 9.499
201 HG11 VAL 24 HG11 VAL 24 9.846 21.341 8.678
202 HG12 VAL 24 HG12 VAL 24 9.460 19.943 9.690
203 HG13 VAL 24 HG13 VAL 24 10.584 21.162 10.267
204 HG21 VAL 24 HG21 VAL 24 9.978 18.383 8.036
205 HG22 VAL 24 HG22 VAL 24 10.501 19.577 6.822
206 HG23 VAL 24 HG23 VAL 24 11.572 18.240 7.306
207 H ARG 25 H ARG 25 12.160 23.050 9.301
208 HA ARG 25 HA ARG 25 13.770 22.609 11.787
209 HB2 ARG 25 HB2 ARG 25 13.827 25.138 10.088
210 HB3 ARG 25 HB3 ARG 25 14.616 24.899 11.648
211 HG2 ARG 25 HG2 ARG 25 16.039 23.107 10.614
212 HG3 ARG 25 HG3 ARG 25 15.302 23.490 9.040
213 HD2 ARG 25 HD2 ARG 25 16.054 25.874 9.358
214 HD3 ARG 25 HD3 ARG 25 16.929 25.371 10.800
215 HE ARG 25 HE ARG 25 17.649 23.734 8.515
216 HH11 ARG 25 HH11 ARG 25 18.327 26.948 9.791
217 HH12 ARG 25 HH12 ARG 25 19.815 27.059 8.873
218 HH21 ARG 25 HH21 ARG 25 19.389 23.947 7.427
219 HH22 ARG 25 HH22 ARG 25 20.439 25.367 7.537
220 H ALA 26 H ALA 26 12.881 23.384 13.578
221 HA ALA 26 HA ALA 26 10.429 25.071 13.483
222 HB1 ALA 26 HB1 ALA 26 10.251 23.040 14.876
223 HB2 ALA 26 HB2 ALA 26 11.707 23.534 15.787
224 HB3 ALA 26 HB3 ALA 26 10.217 24.511 15.873
225 H GLU 27 H GLU 27 10.585 27.168 14.006
226 HA GLU 27 HA GLU 27 13.119 28.272 15.129
227 HB2 GLU 27 HB2 GLU 27 12.610 28.384 12.561
228 HB3 GLU 27 HB3 GLU 27 11.486 29.677 13.010
229 HG2 GLU 27 HG2 GLU 27 13.367 30.966 13.958
230 HG3 GLU 27 HG3 GLU 27 14.440 29.574 13.794
231 H GLY 28 H GLY 28 12.640 30.774 15.629
232 HA2 GLY 28 HA2 GLY 28 11.248 30.737 18.048
233 HA3 GLY 28 HA3 GLY 28 11.814 32.179 17.221
234 H GLY 29 H GLY 29 9.677 31.116 15.030
235 HA2 GLY 29 HA2 GLY 29 7.136 31.578 16.397
236 HA3 GLY 29 HA3 GLY 29 7.592 32.874 15.289
237 H ALA 30 H ALA 30 8.631 29.731 14.206
238 HA ALA 30 HA ALA 30 6.247 29.065 12.684
239 HB1 ALA 30 HB1 ALA 30 8.660 30.261 11.213
240 HB2 ALA 30 HB2 ALA 30 7.193 29.594 10.459
241 HB3 ALA 30 HB3 ALA 30 7.104 31.082 11.413
242 H VAL 31 H VAL 31 6.503 27.209 11.339
243 HA VAL 31 HA VAL 31 9.086 25.703 11.559
244 HB VAL 31 HB VAL 31 6.349 24.742 10.724
245 HG11 VAL 31 HG11 VAL 31 7.475 22.504 10.395
246 HG12 VAL 31 HG12 VAL 31 7.861 23.687 9.146
247 HG13 VAL 31 HG13 VAL 31 9.032 23.323 10.436
248 HG21 VAL 31 HG21 VAL 31 6.637 23.190 12.573
249 HG22 VAL 31 HG22 VAL 31 8.320 23.714 12.819
250 HG23 VAL 31 HG23 VAL 31 6.991 24.820 13.156
251 H ARG 32 H ARG 32 10.303 25.353 9.781
252 HA ARG 32 HA ARG 32 9.384 26.339 7.119
253 HB2 ARG 32 HB2 ARG 32 11.989 27.014 8.545
254 HB3 ARG 32 HB3 ARG 32 11.840 27.071 6.785
255 HG2 ARG 32 HG2 ARG 32 10.033 28.680 6.907
256 HG3 ARG 32 HG3 ARG 32 9.988 28.596 8.676
257 HD2 ARG 32 HD2 ARG 32 12.097 29.647 8.890
258 HD3 ARG 32 HD3 ARG 32 12.471 29.455 7.163
259 HE ARG 32 HE ARG 32 10.712 31.058 6.606
260 HH11 ARG 32 HH11 ARG 32 11.898 31.338 9.937
261 HH12 ARG 32 HH12 ARG 32 11.136 32.888 10.116
262 HH21 ARG 32 HH21 ARG 32 9.819 33.025 6.952
263 HH22 ARG 32 HH22 ARG 32 10.025 33.818 8.486
264 H VAL 33 H VAL 33 10.055 25.183 5.363
265 HA VAL 33 HA VAL 33 11.629 22.722 5.725
266 HB VAL 33 HB VAL 33 9.828 21.664 6.480
267 HG11 VAL 33 HG11 VAL 33 7.458 22.009 5.972
268 HG12 VAL 33 HG12 VAL 33 8.227 23.421 6.678
269 HG13 VAL 33 HG13 VAL 33 7.912 23.384 4.926
270 HG21 VAL 33 HG21 VAL 33 9.045 21.515 3.548
271 HG22 VAL 33 HG22 VAL 33 10.345 20.579 4.325
272 HG23 VAL 33 HG23 VAL 33 8.671 20.343 4.821
273 H THR 34 H THR 34 12.390 21.761 3.948
274 HA THR 34 HA THR 34 11.919 23.110 1.305
275 HB THR 34 HB THR 34 14.611 22.283 2.448
276 HG1 THR 34 HG1 THR 34 13.825 24.201 3.316
277 HG21 THR 34 HG21 THR 34 15.528 23.495 0.470
278 HG22 THR 34 HG22 THR 34 14.654 22.021 0.021
279 HG23 THR 34 HG23 THR 34 13.889 23.612 -0.205
280 H THR 35 H THR 35 11.864 21.872 -0.482
281 HA THR 35 HA THR 35 11.635 18.922 -0.062
282 HB THR 35 HB THR 35 10.059 18.904 -1.848
283 HG1 THR 35 HG1 THR 35 10.420 21.697 -2.067
284 HG21 THR 35 HG21 THR 35 9.330 21.279 -0.090
285 HG22 THR 35 HG22 THR 35 8.235 20.181 -0.962
286 HG23 THR 35 HG23 THR 35 9.210 19.572 0.392
287 H LEU 36 H LEU 36 11.924 17.512 -1.868
288 HA LEU 36 HA LEU 36 14.378 17.512 -3.233
289 HB2 LEU 36 HB2 LEU 36 13.129 15.561 -2.787
290 HB3 LEU 36 HB3 LEU 36 11.696 16.160 -3.620
291 HG LEU 36 HG LEU 36 14.160 15.786 -5.310
292 HD11 LEU 36 HD11 LEU 36 12.425 13.491 -4.313
293 HD12 LEU 36 HD12 LEU 36 13.659 13.395 -5.589
294 HD13 LEU 36 HD13 LEU 36 14.152 13.751 -3.930
295 HD21 LEU 36 HD21 LEU 36 12.476 15.000 -6.924
296 HD22 LEU 36 HD22 LEU 36 11.206 15.092 -5.684
297 HD23 LEU 36 HD23 LEU 36 11.971 16.571 -6.296
298 H PHE 37 H PHE 37 11.374 19.088 -4.169
299 HA PHE 37 HA PHE 37 12.145 19.540 -6.949
300 HB2 PHE 37 HB2 PHE 37 9.858 20.706 -5.327
301 HB3 PHE 37 HB3 PHE 37 10.016 20.696 -7.080
302 HD1 PHE 37 HD1 PHE 37 8.908 18.836 -4.170
303 HD2 PHE 37 HD2 PHE 37 10.037 18.434 -8.314
304 HE1 PHE 37 HE1 PHE 37 7.792 16.625 -4.256
305 HE2 PHE 37 HE2 PHE 37 8.921 16.211 -8.401
306 HZ PHE 37 HZ PHE 37 7.800 15.307 -6.369
307 H ASP 38 H ASP 38 13.490 20.820 -4.327
308 HA ASP 38 HA ASP 38 14.539 22.652 -3.668
309 HB2 ASP 38 HB2 ASP 38 14.404 23.720 -6.496
310 HB3 ASP 38 HB3 ASP 38 15.498 24.231 -5.223
311 H GLU 39 H GLU 39 11.445 22.641 -4.002
312 HA GLU 39 HA GLU 39 10.866 25.505 -3.677
313 HB2 GLU 39 HB2 GLU 39 9.272 24.086 -4.893
314 HB3 GLU 39 HB3 GLU 39 9.075 23.068 -3.463
315 HG2 GLU 39 HG2 GLU 39 7.174 24.524 -3.671
316 HG3 GLU 39 HG3 GLU 39 8.082 24.977 -2.235
317 H GLU 40 H GLU 40 10.123 26.445 -1.736
318 HA GLU 40 HA GLU 40 10.719 25.027 0.810
319 HB2 GLU 40 HB2 GLU 40 12.749 26.058 0.235
320 HB3 GLU 40 HB3 GLU 40 11.994 27.561 -0.246
321 HG2 GLU 40 HG2 GLU 40 11.723 26.591 2.609
322 HG3 GLU 40 HG3 GLU 40 13.241 27.286 2.074
323 H HIS 41 H HIS 41 9.459 25.557 2.492
324 HA HIS 41 HA HIS 41 7.230 27.510 2.068
325 HB2 HIS 41 HB2 HIS 41 7.014 24.790 3.392
326 HB3 HIS 41 HB3 HIS 41 5.704 25.887 2.978
327 HD2 HIS 41 HD2 HIS 41 7.849 23.094 1.589
328 HE1 HIS 41 HE1 HIS 41 5.257 24.237 -1.597
329 HE2 HIS 41 HE2 HIS 41 6.963 22.504 -0.818
330 H ALA 42 H ALA 42 6.306 28.416 3.916
331 HA ALA 42 HA ALA 42 7.599 27.915 6.547
332 HB1 ALA 42 HB1 ALA 42 7.545 30.321 7.040
333 HB2 ALA 42 HB2 ALA 42 8.538 30.014 5.595
334 HB3 ALA 42 HB3 ALA 42 6.896 30.658 5.421
335 H PHE 43 H PHE 43 6.260 27.800 8.233
336 HA PHE 43 HA PHE 43 3.346 28.354 7.905
337 HB2 PHE 43 HB2 PHE 43 4.573 25.861 9.109
338 HB3 PHE 43 HB3 PHE 43 2.859 26.252 8.991
339 HD1 PHE 43 HD1 PHE 43 5.610 24.647 7.355
340 HD2 PHE 43 HD2 PHE 43 1.883 26.681 6.603
341 HE1 PHE 43 HE1 PHE 43 5.474 23.608 5.089
342 HE2 PHE 43 HE2 PHE 43 1.774 25.657 4.342
343 HZ PHE 43 HZ PHE 43 3.572 24.119 3.584
344 HA PRO 44 HA PRO 44 4.896 30.506 11.658
345 HB2 PRO 44 HB2 PRO 44 3.033 32.518 11.757
346 HB3 PRO 44 HB3 PRO 44 4.477 32.522 10.693
347 HG2 PRO 44 HG2 PRO 44 1.654 31.687 9.983
348 HG3 PRO 44 HG3 PRO 44 2.760 32.787 9.070
349 HD2 PRO 44 HD2 PRO 44 2.463 30.174 8.414
350 HD3 PRO 44 HD3 PRO 44 4.060 30.981 8.305
351 H GLY 45 H GLY 45 4.287 30.560 13.757
352 HA2 GLY 45 HA2 GLY 45 3.114 30.121 15.696
353 HA3 GLY 45 HA3 GLY 45 1.658 29.820 14.772
354 H LEU 46 H LEU 46 3.998 27.794 13.451
355 HA LEU 46 HA LEU 46 3.071 25.497 15.090
356 HB2 LEU 46 HB2 LEU 46 4.486 25.493 12.406
357 HB3 LEU 46 HB3 LEU 46 3.834 24.094 13.264
358 HG LEU 46 HG LEU 46 2.265 26.350 11.969
359 HD11 LEU 46 HD11 LEU 46 1.421 24.588 10.541
360 HD12 LEU 46 HD12 LEU 46 3.191 24.484 10.558
361 HD13 LEU 46 HD13 LEU 46 2.232 23.343 11.520
362 HD21 LEU 46 HD21 LEU 46 1.051 25.770 14.010
363 HD22 LEU 46 HD22 LEU 46 0.216 25.064 12.624
364 HD23 LEU 46 HD23 LEU 46 1.226 24.034 13.668
365 H ALA 47 H ALA 47 4.460 23.781 15.583
366 HA ALA 47 HA ALA 47 7.385 24.073 15.423
367 HB1 ALA 47 HB1 ALA 47 7.659 23.228 17.749
368 HB2 ALA 47 HB2 ALA 47 6.909 24.837 17.695
369 HB3 ALA 47 HB3 ALA 47 5.907 23.403 17.999
370 H ILE 48 H ILE 48 8.457 21.889 15.652
371 HA ILE 48 HA ILE 48 6.913 19.809 14.298
372 HB ILE 48 HB ILE 48 9.698 19.700 15.472
373 HG12 ILE 48 HG12 ILE 48 9.071 19.886 12.512
374 HG13 ILE 48 HG13 ILE 48 9.242 21.343 13.471
375 HG21 ILE 48 HG21 ILE 48 8.763 17.436 15.246
376 HG22 ILE 48 HG22 ILE 48 8.207 17.805 13.597
377 HG23 ILE 48 HG23 ILE 48 9.928 17.680 13.944
378 HD11 ILE 48 HD11 ILE 48 11.409 19.229 13.157
379 HD12 ILE 48 HD12 ILE 48 11.369 20.840 12.427
380 HD13 ILE 48 HD13 ILE 48 11.514 20.681 14.176
381 H GLY 49 H GLY 49 5.573 18.414 15.307
382 HA2 GLY 49 HA2 GLY 49 5.569 18.271 18.266
383 HA3 GLY 49 HA3 GLY 49 4.302 17.746 17.157
384 H ARG 50 H ARG 50 5.733 16.047 15.445
385 HA ARG 50 HA ARG 50 7.000 13.906 17.043
386 HB2 ARG 50 HB2 ARG 50 4.659 13.604 17.603
387 HB3 ARG 50 HB3 ARG 50 4.182 13.697 15.910
388 HG2 ARG 50 HG2 ARG 50 5.208 11.561 15.421
389 HG3 ARG 50 HG3 ARG 50 5.933 11.488 17.044
390 HD2 ARG 50 HD2 ARG 50 3.749 11.340 18.077
391 HD3 ARG 50 HD3 ARG 50 2.941 11.582 16.518
392 HE ARG 50 HE ARG 50 4.488 9.399 15.994
393 HH11 ARG 50 HH11 ARG 50 2.072 9.875 18.517
394 HH12 ARG 50 HH12 ARG 50 1.727 8.162 18.553
395 HH21 ARG 50 HH21 ARG 50 4.069 7.420 16.125
396 HH22 ARG 50 HH22 ARG 50 2.890 6.748 17.258
397 H VAL 51 H VAL 51 7.975 12.335 15.886
398 HA VAL 51 HA VAL 51 7.903 12.410 12.902
399 HB VAL 51 HB VAL 51 10.455 12.151 14.525
400 HG11 VAL 51 HG11 VAL 51 9.898 12.255 11.520
401 HG12 VAL 51 HG12 VAL 51 11.513 12.365 12.244
402 HG13 VAL 51 HG13 VAL 51 10.566 10.891 12.436
403 HG21 VAL 51 HG21 VAL 51 9.754 14.494 14.612
404 HG22 VAL 51 HG22 VAL 51 11.111 14.322 13.499
405 HG23 VAL 51 HG23 VAL 51 9.462 14.516 12.865
406 H ASP 52 H ASP 52 7.136 10.525 12.299
407 HA ASP 52 HA ASP 52 7.703 8.013 13.822
408 HB2 ASP 52 HB2 ASP 52 5.669 8.657 11.654
409 HB3 ASP 52 HB3 ASP 52 5.924 7.062 12.364
410 H LEU 53 H LEU 53 9.627 7.150 13.175
411 HA LEU 53 HA LEU 53 10.503 7.251 10.378
412 HB2 LEU 53 HB2 LEU 53 11.628 5.680 12.733
413 HB3 LEU 53 HB3 LEU 53 12.333 5.805 11.155
414 HG LEU 53 HG LEU 53 13.595 7.210 12.507
415 HD11 LEU 53 HD11 LEU 53 13.074 8.213 10.334
416 HD12 LEU 53 HD12 LEU 53 11.686 9.061 11.041
417 HD13 LEU 53 HD13 LEU 53 13.335 9.444 11.580
418 HD21 LEU 53 HD21 LEU 53 12.845 8.934 13.968
419 HD22 LEU 53 HD22 LEU 53 11.159 8.733 13.487
420 HD23 LEU 53 HD23 LEU 53 11.999 7.454 14.401
421 H ARG 54 H ARG 54 8.551 5.149 12.333
422 HA ARG 54 HA ARG 54 8.668 2.745 10.731
423 HB2 ARG 54 HB2 ARG 54 6.500 3.842 12.592
424 HB3 ARG 54 HB3 ARG 54 6.468 2.241 11.845
425 HG2 ARG 54 HG2 ARG 54 8.706 1.762 12.892
426 HG3 ARG 54 HG3 ARG 54 8.549 3.260 13.813
427 HD2 ARG 54 HD2 ARG 54 6.539 0.971 13.864
428 HD3 ARG 54 HD3 ARG 54 7.881 1.125 15.006
429 HE ARG 54 HE ARG 54 6.636 3.533 15.318
430 HH11 ARG 54 HH11 ARG 54 5.357 0.272 15.403
431 HH12 ARG 54 HH12 ARG 54 4.127 0.689 16.571
432 HH21 ARG 54 HH21 ARG 54 5.118 3.960 16.925
433 HH22 ARG 54 HH22 ARG 54 4.000 2.703 17.394
434 H SER 55 H SER 55 6.981 5.746 10.165
435 HA SER 55 HA SER 55 5.717 4.563 7.718
436 HB2 SER 55 HB2 SER 55 3.735 5.907 8.142
437 HB3 SER 55 HB3 SER 55 4.061 4.823 9.507
438 HG SER 55 HG SER 55 3.582 6.908 10.245
439 H GLY 56 H GLY 56 7.758 7.065 8.869
440 HA2 GLY 56 HA2 GLY 56 8.920 8.656 7.660
441 HA3 GLY 56 HA3 GLY 56 8.069 8.179 6.192
442 H VAL 57 H VAL 57 6.753 9.400 9.315
443 HA VAL 57 HA VAL 57 5.559 11.724 7.831
444 HB VAL 57 HB VAL 57 4.232 10.052 9.979
445 HG11 VAL 57 HG11 VAL 57 3.266 12.570 8.534
446 HG12 VAL 57 HG12 VAL 57 2.252 11.515 9.542
447 HG13 VAL 57 HG13 VAL 57 3.578 12.405 10.277
448 HG21 VAL 57 HG21 VAL 57 4.155 8.978 7.770
449 HG22 VAL 57 HG22 VAL 57 2.559 9.616 8.174
450 HG23 VAL 57 HG23 VAL 57 3.595 10.492 7.028
451 H ILE 58 H ILE 58 6.024 13.615 8.509
452 HA ILE 58 HA ILE 58 6.988 14.149 11.289
453 HB ILE 58 HB ILE 58 7.347 15.672 8.691
454 HG12 ILE 58 HG12 ILE 58 9.413 14.340 10.504
455 HG13 ILE 58 HG13 ILE 58 8.806 13.645 9.004
456 HG21 ILE 58 HG21 ILE 58 8.656 17.317 9.962
457 HG22 ILE 58 HG22 ILE 58 7.021 17.262 10.586
458 HG23 ILE 58 HG23 ILE 58 8.321 16.443 11.477
459 HD11 ILE 58 HD11 ILE 58 10.467 16.175 9.251
460 HD12 ILE 58 HD12 ILE 58 10.930 14.627 8.535
461 HD13 ILE 58 HD13 ILE 58 9.686 15.620 7.744
462 H SER 59 H SER 59 5.339 14.734 12.560
463 HA SER 59 HA SER 59 2.948 16.123 11.423
464 HB2 SER 59 HB2 SER 59 2.553 14.026 12.642
465 HB3 SER 59 HB3 SER 59 3.312 14.732 14.078
466 HG SER 59 HG SER 59 0.989 14.901 14.058
467 H LEU 60 H LEU 60 2.685 18.230 11.750
468 HA LEU 60 HA LEU 60 4.345 19.647 13.785
469 HB2 LEU 60 HB2 LEU 60 2.625 20.868 11.613
470 HB3 LEU 60 HB3 LEU 60 3.851 21.654 12.601
471 HG LEU 60 HG LEU 60 4.303 19.625 10.381
472 HD11 LEU 60 HD11 LEU 60 5.505 21.529 9.328
473 HD12 LEU 60 HD12 LEU 60 3.811 21.898 9.630
474 HD13 LEU 60 HD13 LEU 60 5.046 22.557 10.713
475 HD21 LEU 60 HD21 LEU 60 6.366 20.907 12.230
476 HD22 LEU 60 HD22 LEU 60 6.000 19.177 12.089
477 HD23 LEU 60 HD23 LEU 60 6.742 20.016 10.729
478 H ILE 61 H ILE 61 3.461 21.115 15.221
479 HA ILE 61 HA ILE 61 0.537 21.049 15.766
480 HB ILE 61 HB ILE 61 0.943 20.815 18.166
481 HG12 ILE 61 HG12 ILE 61 3.209 19.597 18.764
482 HG13 ILE 61 HG13 ILE 61 3.861 20.499 17.400
483 HG21 ILE 61 HG21 ILE 61 2.054 18.462 16.592
484 HG22 ILE 61 HG22 ILE 61 1.260 18.414 18.163
485 HG23 ILE 61 HG23 ILE 61 0.334 18.888 16.732
486 HD11 ILE 61 HD11 ILE 61 2.450 21.729 19.817
487 HD12 ILE 61 HD12 ILE 61 4.203 21.548 19.648
488 HD13 ILE 61 HD13 ILE 61 3.324 22.616 18.547
489 H GLU 62 H GLU 62 -0.282 22.873 16.938
490 HA GLU 62 HA GLU 62 1.081 25.381 16.438
491 HB2 GLU 62 HB2 GLU 62 -1.266 24.887 18.310
492 HB3 GLU 62 HB3 GLU 62 -0.714 26.413 17.635
493 HG2 GLU 62 HG2 GLU 62 -2.403 26.051 16.196
494 HG3 GLU 62 HG3 GLU 62 -1.156 25.193 15.299
495 H GLU 63 H GLU 63 2.584 26.380 17.559
496 HA GLU 63 HA GLU 63 3.835 24.970 19.717
497 HB2 GLU 63 HB2 GLU 63 5.607 26.476 19.437
498 HB3 GLU 63 HB3 GLU 63 4.930 26.200 17.854
499 HG2 GLU 63 HG2 GLU 63 5.072 28.435 17.637
500 HG3 GLU 63 HG3 GLU 63 3.517 28.425 18.485
501 H GLN 64 H GLN 64 1.424 27.414 19.832
502 HA GLN 64 HA GLN 64 2.090 28.527 22.399
503 HB2 GLN 64 HB2 GLN 64 -0.440 28.535 20.701
504 HB3 GLN 64 HB3 GLN 64 -0.318 29.462 22.190
505 HG2 GLN 64 HG2 GLN 64 1.663 29.878 19.904
506 HG3 GLN 64 HG3 GLN 64 0.116 30.701 20.002
507 HE21 GLN 64 HE21 GLN 64 3.384 30.651 21.288
508 HE22 GLN 64 HE22 GLN 64 3.145 32.026 22.366
509 H ASN 65 H ASN 65 1.394 25.589 21.965
510 HA ASN 65 HA ASN 65 -0.311 25.057 24.352
511 HB2 ASN 65 HB2 ASN 65 0.877 23.202 22.235
512 HB3 ASN 65 HB3 ASN 65 -0.037 22.658 23.632
513 HD21 ASN 65 HD21 ASN 65 -0.320 23.842 20.417
514 HD22 ASN 65 HD22 ASN 65 -2.078 23.926 20.427
515 H ARG 66 H ARG 66 2.745 26.012 24.047
516 HA ARG 66 HA ARG 66 3.783 24.411 26.359
517 HB2 ARG 66 HB2 ARG 66 5.342 25.263 23.873
518 HB3 ARG 66 HB3 ARG 66 6.033 24.489 25.294
519 HG2 ARG 66 HG2 ARG 66 3.979 23.217 23.416
520 HG3 ARG 66 HG3 ARG 66 5.712 22.925 23.409
521 HD2 ARG 66 HD2 ARG 66 5.629 21.972 25.647
522 HD3 ARG 66 HD3 ARG 66 3.904 22.307 25.782
523 HE ARG 66 HE ARG 66 5.201 20.282 24.021
524 HH11 ARG 66 HH11 ARG 66 2.131 21.620 25.150
525 HH12 ARG 66 HH12 ARG 66 1.263 20.200 24.631
526 HH21 ARG 66 HH21 ARG 66 3.966 18.607 23.296
527 HH22 ARG 66 HH22 ARG 66 2.256 18.581 23.579
528 H1 GLY -3 H1 GLY -3 22.952 -6.387 3.879
529 H2 GLY -3 H2 GLY -3 21.734 -5.683 3.035
530 H3 GLY -3 H3 GLY -3 21.895 -7.311 3.034
531 HA2 GLY -3 HA2 GLY -3 21.407 -7.430 5.386
532 HA3 GLY -3 HA3 GLY -3 21.235 -5.670 5.388
533 HA PRO -2 HA PRO -2 17.351 -8.063 3.739
534 HB2 PRO -2 HB2 PRO -2 15.959 -8.866 5.966
535 HB3 PRO -2 HB3 PRO -2 17.222 -9.862 5.182
536 HG2 PRO -2 HG2 PRO -2 17.532 -8.022 7.576
537 HG3 PRO -2 HG3 PRO -2 18.065 -9.729 7.419
538 HD2 PRO -2 HD2 PRO -2 19.783 -7.674 6.995
539 HD3 PRO -2 HD3 PRO -2 19.846 -9.140 5.973
540 H GLY -1 H GLY -1 15.235 -7.236 3.667
541 HA2 GLY -1 HA2 GLY -1 13.453 -5.801 4.000
542 HA3 GLY -1 HA3 GLY -1 14.240 -5.167 5.438
543 H SER 0 H SER 0 16.648 -4.564 3.498
544 HA SER 0 HA SER 0 17.554 -2.876 2.377
545 HB2 SER 0 HB2 SER 0 15.931 -3.629 0.670
546 HB3 SER 0 HB3 SER 0 14.829 -2.333 1.183
547 HG SER 0 HG SER 0 16.127 -1.733 -0.610
548 H MET 1 H MET 1 14.616 -1.784 4.006
549 HA MET 1 HA MET 1 15.139 0.984 4.166
550 HB2 MET 1 HB2 MET 1 13.079 -0.666 4.804
551 HB3 MET 1 HB3 MET 1 13.721 -0.439 6.417
552 HG2 MET 1 HG2 MET 1 12.814 1.723 4.461
553 HG3 MET 1 HG3 MET 1 11.867 1.091 5.789
554 HE1 MET 1 HE1 MET 1 13.567 2.616 8.958
555 HE2 MET 1 HE2 MET 1 12.231 1.642 8.348
556 HE3 MET 1 HE3 MET 1 13.896 1.009 8.284
557 H CYS 2 H CYS 2 15.997 2.308 5.837
558 HA CYS 2 HA CYS 2 17.312 1.041 8.147
559 HB2 CYS 2 HB2 CYS 2 19.041 1.116 6.377
560 HB3 CYS 2 HB3 CYS 2 18.831 2.880 6.273
561 HG CYS 2 HG CYS 2 21.049 2.305 7.597
562 H MET 3 H MET 3 17.129 2.186 9.938
563 HA MET 3 HA MET 3 15.333 4.434 10.051
564 HB2 MET 3 HB2 MET 3 17.004 3.048 12.190
565 HB3 MET 3 HB3 MET 3 15.881 4.359 12.513
566 HG2 MET 3 HG2 MET 3 14.636 2.460 12.990
567 HG3 MET 3 HG3 MET 3 14.044 2.995 11.436
568 HE1 MET 3 HE1 MET 3 16.560 -0.777 12.321
569 HE2 MET 3 HE2 MET 3 17.320 0.825 12.374
570 HE3 MET 3 HE3 MET 3 15.995 0.433 13.499
571 H ALA 4 H ALA 4 15.670 6.397 11.202
572 HA ALA 4 HA ALA 4 18.091 7.906 10.584
573 HB1 ALA 4 HB1 ALA 4 15.627 8.600 12.257
574 HB2 ALA 4 HB2 ALA 4 16.807 9.744 11.594
575 HB3 ALA 4 HB3 ALA 4 15.770 8.835 10.496
576 H LYS 5 H LYS 5 18.610 9.444 12.628
577 HA LYS 5 HA LYS 5 18.807 8.017 15.207
578 HB2 LYS 5 HB2 LYS 5 21.170 8.698 15.520
579 HB3 LYS 5 HB3 LYS 5 20.959 7.496 14.258
580 HG2 LYS 5 HG2 LYS 5 21.219 9.161 12.500
581 HG3 LYS 5 HG3 LYS 5 21.243 10.485 13.672
582 HD2 LYS 5 HD2 LYS 5 23.306 8.243 13.624
583 HD3 LYS 5 HD3 LYS 5 23.489 9.759 12.726
584 HE2 LYS 5 HE2 LYS 5 23.418 11.085 14.767
585 HE3 LYS 5 HE3 LYS 5 23.032 9.659 15.735
586 HZ1 LYS 5 HZ1 LYS 5 25.230 8.753 15.114
587 HZ2 LYS 5 HZ2 LYS 5 25.586 10.119 14.295
588 HZ3 LYS 5 HZ3 LYS 5 25.367 10.161 15.919
589 H VAL 6 H VAL 6 19.040 9.382 17.034
590 HA VAL 6 HA VAL 6 18.176 12.209 16.569
591 HB VAL 6 HB VAL 6 17.873 10.654 19.136
592 HG11 VAL 6 HG11 VAL 6 17.802 13.046 19.516
593 HG12 VAL 6 HG12 VAL 6 16.653 13.254 18.167
594 HG13 VAL 6 HG13 VAL 6 16.167 12.395 19.636
595 HG21 VAL 6 HG21 VAL 6 15.442 10.518 18.522
596 HG22 VAL 6 HG22 VAL 6 15.897 11.007 16.872
597 HG23 VAL 6 HG23 VAL 6 16.510 9.492 17.564
598 H VAL 7 H VAL 7 19.254 13.907 17.553
599 HA VAL 7 HA VAL 7 21.516 13.357 19.388
600 HB VAL 7 HB VAL 7 22.556 13.510 17.241
601 HG11 VAL 7 HG11 VAL 7 22.557 15.580 15.887
602 HG12 VAL 7 HG12 VAL 7 20.944 14.860 15.968
603 HG13 VAL 7 HG13 VAL 7 21.331 16.293 16.957
604 HG21 VAL 7 HG21 VAL 7 24.212 15.177 17.690
605 HG22 VAL 7 HG22 VAL 7 23.100 16.137 18.684
606 HG23 VAL 7 HG23 VAL 7 23.671 14.559 19.258
607 H LEU 8 H LEU 8 21.922 14.839 20.918
608 HA LEU 8 HA LEU 8 20.745 17.530 20.827
609 HB2 LEU 8 HB2 LEU 8 19.702 17.407 23.003
610 HB3 LEU 8 HB3 LEU 8 19.086 16.105 22.011
611 HG LEU 8 HG LEU 8 21.177 14.809 23.257
612 HD11 LEU 8 HD11 LEU 8 21.063 15.351 25.661
613 HD12 LEU 8 HD12 LEU 8 21.674 16.732 24.740
614 HD13 LEU 8 HD13 LEU 8 19.999 16.728 25.310
615 HD21 LEU 8 HD21 LEU 8 18.893 13.958 23.033
616 HD22 LEU 8 HD22 LEU 8 19.489 13.776 24.686
617 HD23 LEU 8 HD23 LEU 8 18.339 15.082 24.296
618 H THR 9 H THR 9 21.802 18.995 22.388
619 HA THR 9 HA THR 9 24.490 18.048 23.306
620 HB THR 9 HB THR 9 23.937 20.802 22.178
621 HG1 THR 9 HG1 THR 9 23.879 19.274 20.547
622 HG21 THR 9 HG21 THR 9 26.427 20.923 22.151
623 HG22 THR 9 HG22 THR 9 25.806 20.754 23.799
624 HG23 THR 9 HG23 THR 9 26.515 19.352 22.972
625 H LYS 10 H LYS 10 24.995 18.416 25.334
626 HA LYS 10 HA LYS 10 23.035 19.551 27.202
627 HB2 LYS 10 HB2 LYS 10 25.778 18.287 27.622
628 HB3 LYS 10 HB3 LYS 10 24.627 18.672 28.905
629 HG2 LYS 10 HG2 LYS 10 22.973 17.097 27.900
630 HG3 LYS 10 HG3 LYS 10 24.156 16.650 26.664
631 HD2 LYS 10 HD2 LYS 10 24.582 16.289 29.661
632 HD3 LYS 10 HD3 LYS 10 23.989 15.038 28.557
633 HE2 LYS 10 HE2 LYS 10 26.079 15.201 27.236
634 HE3 LYS 10 HE3 LYS 10 26.692 16.442 28.336
635 HZ1 LYS 10 HZ1 LYS 10 26.037 13.653 29.104
636 HZ2 LYS 10 HZ2 LYS 10 27.542 14.245 28.916
637 HZ3 LYS 10 HZ3 LYS 10 26.604 14.796 30.129
638 H ALA 11 H ALA 11 23.630 21.035 28.911
639 HA ALA 11 HA ALA 11 24.893 23.446 28.086
640 HB1 ALA 11 HB1 ALA 11 23.125 23.276 29.804
641 HB2 ALA 11 HB2 ALA 11 24.253 22.396 30.877
642 HB3 ALA 11 HB3 ALA 11 24.570 24.090 30.433
643 H ASP 12 H ASP 12 26.261 20.571 29.578
644 HA ASP 12 HA ASP 12 28.840 21.720 30.310
645 HB2 ASP 12 HB2 ASP 12 27.957 18.842 29.862
646 HB3 ASP 12 HB3 ASP 12 29.497 19.338 30.556
647 H GLY 13 H GLY 13 27.521 21.178 27.258
648 HA2 GLY 13 HA2 GLY 13 28.499 21.538 25.211
649 HA3 GLY 13 HA3 GLY 13 30.115 21.434 25.920
650 H GLY 14 H GLY 14 28.615 18.678 26.953
651 HA2 GLY 14 HA2 GLY 14 29.722 16.938 24.828
652 HA3 GLY 14 HA3 GLY 14 29.035 16.437 26.372
653 H ARG 15 H ARG 15 28.448 15.409 23.672
654 HA ARG 15 HA ARG 15 25.570 16.158 23.318
655 HB2 ARG 15 HB2 ARG 15 27.289 14.432 21.518
656 HB3 ARG 15 HB3 ARG 15 25.636 14.967 21.221
657 HG2 ARG 15 HG2 ARG 15 26.536 17.372 21.388
658 HG3 ARG 15 HG3 ARG 15 28.153 16.660 21.256
659 HD2 ARG 15 HD2 ARG 15 25.862 16.476 19.248
660 HD3 ARG 15 HD3 ARG 15 27.367 17.361 19.042
661 HE ARG 15 HE ARG 15 26.935 14.437 18.778
662 HH11 ARG 15 HH11 ARG 15 29.457 16.876 18.947
663 HH12 ARG 15 HH12 ARG 15 30.640 15.774 18.282
664 HH21 ARG 15 HH21 ARG 15 28.365 13.169 18.046
665 HH22 ARG 15 HH22 ARG 15 30.027 13.679 17.723
666 H VAL 16 H VAL 16 23.993 14.570 23.005
667 HA VAL 16 HA VAL 16 24.560 11.793 23.914
668 HB VAL 16 HB VAL 16 22.058 13.329 24.692
669 HG11 VAL 16 HG11 VAL 16 21.462 11.281 25.945
670 HG12 VAL 16 HG12 VAL 16 21.495 11.003 24.203
671 HG13 VAL 16 HG13 VAL 16 22.845 10.431 25.206
672 HG21 VAL 16 HG21 VAL 16 22.796 12.930 27.018
673 HG22 VAL 16 HG22 VAL 16 24.313 12.231 26.418
674 HG23 VAL 16 HG23 VAL 16 23.941 13.949 26.140
675 H GLU 17 H GLU 17 23.742 10.258 22.582
676 HA GLU 17 HA GLU 17 22.122 11.112 20.242
677 HB2 GLU 17 HB2 GLU 17 24.811 9.689 20.112
678 HB3 GLU 17 HB3 GLU 17 23.687 9.870 18.759
679 HG2 GLU 17 HG2 GLU 17 23.834 12.313 18.924
680 HG3 GLU 17 HG3 GLU 17 24.973 12.190 20.268
681 H ILE 18 H ILE 18 20.917 9.538 19.244
682 HA ILE 18 HA ILE 18 20.793 6.829 20.503
683 HB ILE 18 HB ILE 18 18.350 8.528 19.895
684 HG12 ILE 18 HG12 ILE 18 18.145 8.161 22.557
685 HG13 ILE 18 HG13 ILE 18 19.892 8.195 22.466
686 HG21 ILE 18 HG21 ILE 18 17.161 6.712 21.096
687 HG22 ILE 18 HG22 ILE 18 17.986 6.105 19.660
688 HG23 ILE 18 HG23 ILE 18 18.684 5.832 21.275
689 HD11 ILE 18 HD11 ILE 18 19.032 10.435 22.942
690 HD12 ILE 18 HD12 ILE 18 19.669 10.473 21.301
691 HD13 ILE 18 HD13 ILE 18 17.915 10.353 21.561
692 H GLY 19 H GLY 19 21.346 5.475 18.923
693 HA2 GLY 19 HA2 GLY 19 20.610 5.912 16.089
694 HA3 GLY 19 HA3 GLY 19 21.594 4.604 16.746
695 H ASP 20 H ASP 20 19.705 4.070 14.845
696 HA ASP 20 HA ASP 20 17.986 2.731 14.293
697 HB2 ASP 20 HB2 ASP 20 18.591 1.316 16.893
698 HB3 ASP 20 HB3 ASP 20 17.805 0.649 15.459
699 H VAL 21 H VAL 21 17.072 5.100 15.408
700 HA VAL 21 HA VAL 21 14.952 4.605 17.319
701 HB VAL 21 HB VAL 21 16.198 6.693 17.280
702 HG11 VAL 21 HG11 VAL 21 14.693 7.387 14.733
703 HG12 VAL 21 HG12 VAL 21 15.732 8.470 15.649
704 HG13 VAL 21 HG13 VAL 21 16.422 7.061 14.842
705 HG21 VAL 21 HG21 VAL 21 13.894 6.557 18.237
706 HG22 VAL 21 HG22 VAL 21 14.417 8.159 17.733
707 HG23 VAL 21 HG23 VAL 21 13.266 7.246 16.721
708 H LEU 22 H LEU 22 12.850 4.266 17.061
709 HA LEU 22 HA LEU 22 11.728 3.905 14.319
710 HB2 LEU 22 HB2 LEU 22 10.796 3.026 17.094
711 HB3 LEU 22 HB3 LEU 22 9.902 2.751 15.610
712 HG LEU 22 HG LEU 22 12.641 1.581 16.280
713 HD11 LEU 22 HD11 LEU 22 11.339 -0.552 16.308
714 HD12 LEU 22 HD12 LEU 22 10.797 0.588 17.557
715 HD13 LEU 22 HD13 LEU 22 9.849 0.375 16.076
716 HD21 LEU 22 HD21 LEU 22 10.846 1.112 13.857
717 HD22 LEU 22 HD22 LEU 22 12.452 1.886 13.832
718 HD23 LEU 22 HD23 LEU 22 12.311 0.183 14.251
719 H GLU 23 H GLU 23 11.379 5.891 17.229
720 HA GLU 23 HA GLU 23 9.339 7.619 15.960
721 HB2 GLU 23 HB2 GLU 23 8.161 5.623 16.819
722 HB3 GLU 23 HB3 GLU 23 8.839 5.888 18.424
723 HG2 GLU 23 HG2 GLU 23 7.569 7.932 18.697
724 HG3 GLU 23 HG3 GLU 23 7.046 7.897 17.010
725 H VAL 24 H VAL 24 9.351 9.676 16.766
726 HA VAL 24 HA VAL 24 10.589 10.274 19.394
727 HB VAL 24 HB VAL 24 11.262 11.962 16.976
728 HG11 VAL 24 HG11 VAL 24 11.435 13.156 19.057
729 HG12 VAL 24 HG12 VAL 24 12.404 11.852 19.778
730 HG13 VAL 24 HG13 VAL 24 13.060 12.821 18.453
731 HG21 VAL 24 HG21 VAL 24 13.539 10.992 17.065
732 HG22 VAL 24 HG22 VAL 24 12.906 9.716 18.122
733 HG23 VAL 24 HG23 VAL 24 12.316 9.885 16.465
734 H ARG 25 H ARG 25 9.526 11.892 20.508
735 HA ARG 25 HA ARG 25 7.483 13.595 19.185
736 HB2 ARG 25 HB2 ARG 25 5.778 12.658 20.951
737 HB3 ARG 25 HB3 ARG 25 6.014 11.856 19.403
738 HG2 ARG 25 HG2 ARG 25 7.440 10.167 20.406
739 HG3 ARG 25 HG3 ARG 25 7.371 10.970 21.984
740 HD2 ARG 25 HD2 ARG 25 5.150 10.261 22.359
741 HD3 ARG 25 HD3 ARG 25 4.802 10.156 20.630
742 HE ARG 25 HE ARG 25 5.504 7.976 20.584
743 HH11 ARG 25 HH11 ARG 25 6.872 9.235 23.548
744 HH12 ARG 25 HH12 ARG 25 7.679 7.714 23.894
745 HH21 ARG 25 HH21 ARG 25 6.455 6.206 21.038
746 HH22 ARG 25 HH22 ARG 25 7.521 6.033 22.431
747 H ALA 26 H ALA 26 6.824 15.350 20.256
748 HA ALA 26 HA ALA 26 8.335 16.072 22.718
749 HB1 ALA 26 HB1 ALA 26 7.813 18.384 22.071
750 HB2 ALA 26 HB2 ALA 26 8.648 17.534 20.762
751 HB3 ALA 26 HB3 ALA 26 6.887 17.795 20.661
752 H GLU 27 H GLU 27 7.278 16.263 24.614
753 HA GLU 27 HA GLU 27 4.312 16.402 24.758
754 HB2 GLU 27 HB2 GLU 27 5.070 14.009 24.352
755 HB3 GLU 27 HB3 GLU 27 5.895 14.085 25.910
756 HG2 GLU 27 HG2 GLU 27 3.641 14.676 26.948
757 HG3 GLU 27 HG3 GLU 27 2.923 14.429 25.343
758 H GLY 28 H GLY 28 3.741 17.677 26.441
759 HA2 GLY 28 HA2 GLY 28 3.730 18.729 28.482
760 HA3 GLY 28 HA3 GLY 28 4.596 17.315 29.075
761 H GLY 29 H GLY 29 6.106 19.441 26.695
762 HA2 GLY 29 HA2 GLY 29 7.827 21.003 26.890
763 HA3 GLY 29 HA3 GLY 29 7.718 20.929 28.649
764 H ALA 30 H ALA 30 8.004 17.870 27.084
765 HA ALA 30 HA ALA 30 10.975 17.741 27.299
766 HB1 ALA 30 HB1 ALA 30 9.825 16.634 29.264
767 HB2 ALA 30 HB2 ALA 30 8.952 15.602 28.120
768 HB3 ALA 30 HB3 ALA 30 10.721 15.478 28.242
769 H VAL 31 H VAL 31 11.862 15.882 26.033
770 HA VAL 31 HA VAL 31 10.109 15.022 23.748
771 HB VAL 31 HB VAL 31 13.100 15.475 23.666
772 HG11 VAL 31 HG11 VAL 31 11.244 14.244 21.574
773 HG12 VAL 31 HG12 VAL 31 12.900 14.779 21.256
774 HG13 VAL 31 HG13 VAL 31 12.624 13.451 22.374
775 HG21 VAL 31 HG21 VAL 31 10.813 16.685 22.049
776 HG22 VAL 31 HG22 VAL 31 11.686 17.488 23.370
777 HG23 VAL 31 HG23 VAL 31 12.546 17.072 21.885
778 H ARG 32 H ARG 32 9.902 12.941 23.334
779 HA ARG 32 HA ARG 32 11.438 10.901 24.908
780 HB2 ARG 32 HB2 ARG 32 8.519 10.904 24.059
781 HB3 ARG 32 HB3 ARG 32 9.384 9.479 24.660
782 HG2 ARG 32 HG2 ARG 32 9.683 10.441 26.842
783 HG3 ARG 32 HG3 ARG 32 9.145 12.037 26.286
784 HD2 ARG 32 HD2 ARG 32 7.375 10.965 27.548
785 HD3 ARG 32 HD3 ARG 32 6.894 11.190 25.862
786 HE ARG 32 HE ARG 32 7.995 8.568 26.122
787 HH11 ARG 32 HH11 ARG 32 5.032 10.261 27.048
788 HH12 ARG 32 HH12 ARG 32 4.180 8.747 27.247
789 HH21 ARG 32 HH21 ARG 32 6.865 6.817 26.220
790 HH22 ARG 32 HH22 ARG 32 5.179 6.809 26.748
791 H VAL 33 H VAL 33 12.163 9.119 23.817
792 HA VAL 33 HA VAL 33 11.629 8.840 20.928
793 HB VAL 33 HB VAL 33 13.387 9.836 20.178
794 HG11 VAL 33 HG11 VAL 33 13.495 11.393 21.994
795 HG12 VAL 33 HG12 VAL 33 14.473 10.258 22.968
796 HG13 VAL 33 HG13 VAL 33 15.120 10.996 21.480
797 HG21 VAL 33 HG21 VAL 33 15.634 9.036 20.342
798 HG22 VAL 33 HG22 VAL 33 15.224 8.053 21.767
799 HG23 VAL 33 HG23 VAL 33 14.521 7.682 20.170
800 H THR 34 H THR 34 11.738 6.818 20.140
801 HA THR 34 HA THR 34 12.363 4.660 22.137
802 HB THR 34 HB THR 34 10.014 4.577 20.236
803 HG1 THR 34 HG1 THR 34 9.784 6.331 21.641
804 HG21 THR 34 HG21 THR 34 9.160 2.958 21.916
805 HG22 THR 34 HG22 THR 34 10.687 2.406 21.221
806 HG23 THR 34 HG23 THR 34 10.674 3.131 22.843
807 H THR 35 H THR 35 13.382 2.859 21.449
808 HA THR 35 HA THR 35 14.310 2.760 18.599
809 HB THR 35 HB THR 35 16.221 1.560 19.394
810 HG1 THR 35 HG1 THR 35 15.153 1.808 22.007
811 HG21 THR 35 HG21 THR 35 17.343 3.167 20.815
812 HG22 THR 35 HG22 THR 35 16.346 4.039 19.630
813 HG23 THR 35 HG23 THR 35 15.803 3.894 21.314
814 H LEU 36 H LEU 36 14.839 0.593 17.707
815 HA LEU 36 HA LEU 36 12.679 -1.300 18.008
816 HB2 LEU 36 HB2 LEU 36 13.993 -2.727 16.477
817 HB3 LEU 36 HB3 LEU 36 13.612 -1.136 15.879
818 HG LEU 36 HG LEU 36 15.851 -0.372 16.056
819 HD11 LEU 36 HD11 LEU 36 17.744 -1.827 16.769
820 HD12 LEU 36 HD12 LEU 36 16.703 -1.347 18.097
821 HD13 LEU 36 HD13 LEU 36 16.567 -2.994 17.417
822 HD21 LEU 36 HD21 LEU 36 16.963 -1.910 14.520
823 HD22 LEU 36 HD22 LEU 36 15.881 -3.236 15.012
824 HD23 LEU 36 HD23 LEU 36 15.234 -1.845 14.128
825 H PHE 37 H PHE 37 15.316 -0.895 20.080
826 HA PHE 37 HA PHE 37 15.464 -3.690 20.963
827 HB2 PHE 37 HB2 PHE 37 16.451 -1.163 22.334
828 HB3 PHE 37 HB3 PHE 37 16.916 -2.823 22.695
829 HD1 PHE 37 HD1 PHE 37 17.938 -4.192 20.633
830 HD2 PHE 37 HD2 PHE 37 17.917 0.105 21.004
831 HE1 PHE 37 HE1 PHE 37 19.819 -4.040 19.021
832 HE2 PHE 37 HE2 PHE 37 19.795 0.251 19.384
833 HZ PHE 37 HZ PHE 37 20.752 -1.817 18.390
834 H ASP 38 H ASP 38 13.009 -1.541 21.132
835 HA ASP 38 HA ASP 38 11.306 -0.991 22.410
836 HB2 ASP 38 HB2 ASP 38 11.031 -3.517 22.513
837 HB3 ASP 38 HB3 ASP 38 11.743 -3.446 24.130
838 H GLU 39 H GLU 39 14.094 -0.240 23.124
839 HA GLU 39 HA GLU 39 13.815 0.634 25.943
840 HB2 GLU 39 HB2 GLU 39 15.969 -0.261 25.211
841 HB3 GLU 39 HB3 GLU 39 16.095 1.001 23.970
842 HG2 GLU 39 HG2 GLU 39 16.190 2.742 25.674
843 HG3 GLU 39 HG3 GLU 39 15.867 1.554 26.947
844 H GLU 40 H GLU 40 13.317 2.693 26.518
845 HA GLU 40 HA GLU 40 12.858 4.719 24.385
846 HB2 GLU 40 HB2 GLU 40 10.732 3.694 25.110
847 HB3 GLU 40 HB3 GLU 40 11.074 4.190 26.773
848 HG2 GLU 40 HG2 GLU 40 11.080 6.565 26.079
849 HG3 GLU 40 HG3 GLU 40 10.832 6.098 24.406
850 H HIS 41 H HIS 41 13.599 6.671 24.717
851 HA HIS 41 HA HIS 41 15.053 7.365 27.237
852 HB2 HIS 41 HB2 HIS 41 15.416 8.430 24.404
853 HB3 HIS 41 HB3 HIS 41 16.418 8.787 25.807
854 HD2 HIS 41 HD2 HIS 41 15.795 6.049 23.182
855 HE1 HIS 41 HE1 HIS 41 19.114 4.729 25.515
856 HE2 HIS 41 HE2 HIS 41 17.716 4.263 23.439
857 H ALA 42 H ALA 42 14.852 9.490 28.065
858 HA ALA 42 HA ALA 42 12.745 11.245 26.940
859 HB1 ALA 42 HB1 ALA 42 11.715 11.552 29.151
860 HB2 ALA 42 HB2 ALA 42 11.606 9.861 28.628
861 HB3 ALA 42 HB3 ALA 42 12.813 10.336 29.843
862 H PHE 43 H PHE 43 13.159 13.346 27.090
863 HA PHE 43 HA PHE 43 15.529 14.328 28.613
864 HB2 PHE 43 HB2 PHE 43 14.930 14.841 25.694
865 HB3 PHE 43 HB3 PHE 43 16.276 15.493 26.634
866 HD1 PHE 43 HD1 PHE 43 17.876 13.742 27.777
867 HD2 PHE 43 HD2 PHE 43 15.246 12.843 24.472
868 HE1 PHE 43 HE1 PHE 43 19.226 11.726 27.231
869 HE2 PHE 43 HE2 PHE 43 16.611 10.854 23.922
870 HZ PHE 43 HZ PHE 43 18.606 10.287 25.306
871 HA PRO 44 HA PRO 44 12.016 17.172 29.369
872 HB2 PRO 44 HB2 PRO 44 12.711 17.967 31.902
873 HB3 PRO 44 HB3 PRO 44 11.834 16.453 31.526
874 HG2 PRO 44 HG2 PRO 44 14.800 16.822 32.023
875 HG3 PRO 44 HG3 PRO 44 13.708 15.551 32.671
876 HD2 PRO 44 HD2 PRO 44 15.337 15.142 30.539
877 HD3 PRO 44 HD3 PRO 44 13.730 14.364 30.668
878 H GLY 45 H GLY 45 11.811 19.350 29.204
879 HA2 GLY 45 HA2 GLY 45 12.411 21.574 28.991
880 HA3 GLY 45 HA3 GLY 45 14.099 21.193 29.324
881 H LEU 46 H LEU 46 13.137 19.060 26.907
882 HA LEU 46 HA LEU 46 14.234 20.822 24.781
883 HB2 LEU 46 HB2 LEU 46 13.906 17.800 24.790
884 HB3 LEU 46 HB3 LEU 46 14.676 18.774 23.539
885 HG LEU 46 HG LEU 46 15.695 18.213 26.338
886 HD11 LEU 46 HD11 LEU 46 16.053 16.549 24.464
887 HD12 LEU 46 HD12 LEU 46 16.952 17.810 23.599
888 HD13 LEU 46 HD13 LEU 46 17.552 17.210 25.154
889 HD21 LEU 46 HD21 LEU 46 16.840 20.158 24.290
890 HD22 LEU 46 HD22 LEU 46 16.260 20.561 25.926
891 HD23 LEU 46 HD23 LEU 46 17.703 19.558 25.728
892 H ALA 47 H ALA 47 13.486 20.631 22.650
893 HA ALA 47 HA ALA 47 10.870 19.437 22.049
894 HB1 ALA 47 HB1 ALA 47 10.306 21.797 22.474
895 HB2 ALA 47 HB2 ALA 47 11.597 22.326 21.368
896 HB3 ALA 47 HB3 ALA 47 10.189 21.445 20.745
897 H ILE 48 H ILE 48 10.655 19.066 19.679
898 HA ILE 48 HA ILE 48 13.191 18.248 18.472
899 HB ILE 48 HB ILE 48 10.377 18.260 17.329
900 HG12 ILE 48 HG12 ILE 48 11.942 15.823 18.273
901 HG13 ILE 48 HG13 ILE 48 10.898 16.717 19.377
902 HG21 ILE 48 HG21 ILE 48 12.957 16.952 16.340
903 HG22 ILE 48 HG22 ILE 48 11.358 16.663 15.634
904 HG23 ILE 48 HG23 ILE 48 12.073 18.263 15.532
905 HD11 ILE 48 HD11 ILE 48 9.967 15.313 16.855
906 HD12 ILE 48 HD12 ILE 48 9.655 14.863 18.536
907 HD13 ILE 48 HD13 ILE 48 8.954 16.353 17.882
908 H GLY 49 H GLY 49 14.526 19.593 17.447
909 HA2 GLY 49 HA2 GLY 49 13.638 22.346 16.797
910 HA3 GLY 49 HA3 GLY 49 15.280 21.769 17.032
911 H ARG 50 H ARG 50 15.299 19.598 15.205
912 HA ARG 50 HA ARG 50 14.681 20.664 12.528
913 HB2 ARG 50 HB2 ARG 50 16.638 21.947 12.993
914 HB3 ARG 50 HB3 ARG 50 17.485 20.566 13.691
915 HG2 ARG 50 HG2 ARG 50 17.750 19.537 11.525
916 HG3 ARG 50 HG3 ARG 50 16.752 20.785 10.743
917 HD2 ARG 50 HD2 ARG 50 18.417 22.497 11.294
918 HD3 ARG 50 HD3 ARG 50 19.368 21.311 12.211
919 HE ARG 50 HE ARG 50 19.072 20.182 9.682
920 HH11 ARG 50 HH11 ARG 50 20.694 23.036 10.933
921 HH12 ARG 50 HH12 ARG 50 21.869 23.029 9.644
922 HH21 ARG 50 HH21 ARG 50 20.491 20.284 8.043
923 HH22 ARG 50 HH22 ARG 50 21.774 21.482 8.035
924 H VAL 51 H VAL 51 14.913 19.196 10.847
925 HA VAL 51 HA VAL 51 15.816 16.431 11.437
926 HB VAL 51 HB VAL 51 13.158 17.008 10.079
927 HG11 VAL 51 HG11 VAL 51 12.831 14.542 10.268
928 HG12 VAL 51 HG12 VAL 51 14.208 14.946 9.241
929 HG13 VAL 51 HG13 VAL 51 14.480 14.392 10.904
930 HG21 VAL 51 HG21 VAL 51 12.086 15.928 12.017
931 HG22 VAL 51 HG22 VAL 51 13.641 15.910 12.877
932 HG23 VAL 51 HG23 VAL 51 12.853 17.448 12.465
933 H ASP 52 H ASP 52 17.050 15.632 9.767
934 HA ASP 52 HA ASP 52 16.725 16.839 7.049
935 HB2 ASP 52 HB2 ASP 52 19.387 16.013 8.223
936 HB3 ASP 52 HB3 ASP 52 19.080 16.571 6.592
937 H LEU 53 H LEU 53 15.946 15.389 5.713
938 HA LEU 53 HA LEU 53 16.051 12.511 6.284
939 HB2 LEU 53 HB2 LEU 53 14.838 14.061 3.954
940 HB3 LEU 53 HB3 LEU 53 14.636 12.357 4.271
941 HG LEU 53 HG LEU 53 12.647 13.372 4.933
942 HD11 LEU 53 HD11 LEU 53 12.420 12.843 7.305
943 HD12 LEU 53 HD12 LEU 53 13.435 11.639 6.490
944 HD13 LEU 53 HD13 LEU 53 14.172 12.899 7.510
945 HD21 LEU 53 HD21 LEU 53 13.491 15.717 5.219
946 HD22 LEU 53 HD22 LEU 53 12.296 15.192 6.405
947 HD23 LEU 53 HD23 LEU 53 13.993 15.286 6.866
948 H ARG 54 H ARG 54 17.818 14.721 4.241
949 HA ARG 54 HA ARG 54 19.089 12.781 2.495
950 HB2 ARG 54 HB2 ARG 54 19.894 15.544 3.492
951 HB3 ARG 54 HB3 ARG 54 20.857 14.634 2.341
952 HG2 ARG 54 HG2 ARG 54 17.965 15.469 1.882
953 HG3 ARG 54 HG3 ARG 54 19.368 16.367 1.310
954 HD2 ARG 54 HD2 ARG 54 18.644 13.520 0.492
955 HD3 ARG 54 HD3 ARG 54 18.343 14.987 -0.454
956 HE ARG 54 HE ARG 54 21.107 14.978 0.105
957 HH11 ARG 54 HH11 ARG 54 18.893 13.018 -1.762
958 HH12 ARG 54 HH12 ARG 54 20.130 12.532 -2.900
959 HH21 ARG 54 HH21 ARG 54 22.635 14.331 -1.362
960 HH22 ARG 54 HH22 ARG 54 22.206 13.249 -2.651
961 H SER 55 H SER 55 19.973 14.074 5.682
962 HA SER 55 HA SER 55 22.347 12.311 5.856
963 HB2 SER 55 HB2 SER 55 22.362 14.668 6.665
964 HB3 SER 55 HB3 SER 55 21.178 14.214 7.911
965 HG SER 55 HG SER 55 22.730 12.773 8.754
966 H GLY 56 H GLY 56 19.022 12.323 7.003
967 HA2 GLY 56 HA2 GLY 56 17.778 10.654 8.014
968 HA3 GLY 56 HA3 GLY 56 19.200 9.605 8.089
969 H VAL 57 H VAL 57 18.437 12.881 9.419
970 HA VAL 57 HA VAL 57 19.060 11.883 12.154
971 HB VAL 57 HB VAL 57 21.116 12.760 11.107
972 HG11 VAL 57 HG11 VAL 57 20.097 14.623 9.817
973 HG12 VAL 57 HG12 VAL 57 19.832 15.509 11.332
974 HG13 VAL 57 HG13 VAL 57 21.482 15.117 10.806
975 HG21 VAL 57 HG21 VAL 57 21.891 13.996 13.020
976 HG22 VAL 57 HG22 VAL 57 20.236 14.412 13.498
977 HG23 VAL 57 HG23 VAL 57 20.800 12.729 13.590
978 H ILE 58 H ILE 58 18.158 12.821 13.817
979 HA ILE 58 HA ILE 58 16.202 15.071 13.478
980 HB ILE 58 HB ILE 58 16.138 12.599 15.236
981 HG12 ILE 58 HG12 ILE 58 14.088 13.616 13.230
982 HG13 ILE 58 HG13 ILE 58 15.321 12.418 12.853
983 HG21 ILE 58 HG21 ILE 58 15.437 14.519 16.628
984 HG22 ILE 58 HG22 ILE 58 14.267 15.000 15.377
985 HG23 ILE 58 HG23 ILE 58 14.072 13.476 16.269
986 HD11 ILE 58 HD11 ILE 58 14.402 10.941 14.652
987 HD12 ILE 58 HD12 ILE 58 13.040 12.089 14.815
988 HD13 ILE 58 HD13 ILE 58 13.309 11.244 13.286
989 H SER 59 H SER 59 16.599 16.823 14.762
990 HA SER 59 HA SER 59 18.764 16.657 16.824
991 HB2 SER 59 HB2 SER 59 19.583 17.652 14.751
992 HB3 SER 59 HB3 SER 59 18.273 18.844 14.807
993 HG SER 59 HG SER 59 20.289 19.607 15.697
994 H LEU 60 H LEU 60 18.252 17.344 18.758
995 HA LEU 60 HA LEU 60 15.648 18.730 19.210
996 HB2 LEU 60 HB2 LEU 60 17.401 17.381 21.261
997 HB3 LEU 60 HB3 LEU 60 15.715 17.861 21.410
998 HG LEU 60 HG LEU 60 16.819 15.577 19.704
999 HD11 LEU 60 HD11 LEU 60 15.527 14.181 21.271
1000 HD12 LEU 60 HD12 LEU 60 16.756 15.125 22.116
1001 HD13 LEU 60 HD13 LEU 60 15.054 15.637 22.184
1002 HD21 LEU 60 HD21 LEU 60 14.420 14.999 19.302
1003 HD22 LEU 60 HD22 LEU 60 13.949 16.554 20.021
1004 HD23 LEU 60 HD23 LEU 60 14.912 16.508 18.523
1005 H ILE 61 H ILE 61 15.449 20.496 20.560
1006 HA ILE 61 HA ILE 61 17.888 22.002 21.359
1007 HB ILE 61 HB ILE 61 16.897 24.095 20.568
1008 HG12 ILE 61 HG12 ILE 61 15.174 23.795 18.595
1009 HG13 ILE 61 HG13 ILE 61 14.672 22.357 19.458
1010 HG21 ILE 61 HG21 ILE 61 17.263 22.103 18.317
1011 HG22 ILE 61 HG22 ILE 61 17.503 23.865 18.254
1012 HG23 ILE 61 HG23 ILE 61 18.566 22.864 19.249
1013 HD11 ILE 61 HD11 ILE 61 14.059 23.750 21.415
1014 HD12 ILE 61 HD12 ILE 61 14.731 25.183 20.623
1015 HD13 ILE 61 HD13 ILE 61 13.305 24.372 19.946
1016 H GLU 62 H GLU 62 17.570 23.531 23.062
1017 HA GLU 62 HA GLU 62 15.606 22.707 25.067
1018 HB2 GLU 62 HB2 GLU 62 17.503 25.080 24.967
1019 HB3 GLU 62 HB3 GLU 62 16.477 24.663 26.345
1020 HG2 GLU 62 HG2 GLU 62 17.638 22.509 26.593
1021 HG3 GLU 62 HG3 GLU 62 18.620 22.847 25.169
1022 H GLU 63 H GLU 63 13.564 23.387 25.303
1023 HA GLU 63 HA GLU 63 12.453 25.210 23.342
1024 HB2 GLU 63 HB2 GLU 63 10.350 24.520 24.115
1025 HB3 GLU 63 HB3 GLU 63 11.391 23.127 24.198
1026 HG2 GLU 63 HG2 GLU 63 10.287 22.914 26.187
1027 HG3 GLU 63 HG3 GLU 63 11.746 23.749 26.711
1028 H GLN 64 H GLN 64 13.809 25.759 26.442
1029 HA GLN 64 HA GLN 64 12.394 28.162 27.115
1030 HB2 GLN 64 HB2 GLN 64 15.020 26.939 28.015
1031 HB3 GLN 64 HB3 GLN 64 14.426 28.434 28.727
1032 HG2 GLN 64 HG2 GLN 64 12.808 25.844 28.753
1033 HG3 GLN 64 HG3 GLN 64 13.922 26.311 30.030
1034 HE21 GLN 64 HE21 GLN 64 10.651 26.540 29.109
1035 HE22 GLN 64 HE22 GLN 64 10.244 27.861 30.209
1036 H ASN 65 H ASN 65 14.031 27.822 24.552
1037 HA ASN 65 HA ASN 65 15.381 30.470 24.403
1038 HB2 ASN 65 HB2 ASN 65 14.943 28.221 22.374
1039 HB3 ASN 65 HB3 ASN 65 15.586 29.793 21.923
1040 HD21 ASN 65 HD21 ASN 65 16.409 26.728 23.271
1041 HD22 ASN 65 HD22 ASN 65 18.086 27.142 23.605
1042 H ARG 66 H ARG 66 12.257 29.318 24.200
1043 HA ARG 66 HA ARG 66 11.129 31.303 22.320
1044 HB2 ARG 66 HB2 ARG 66 9.881 29.231 24.172
1045 HB3 ARG 66 HB3 ARG 66 8.955 30.324 23.138
1046 HG2 ARG 66 HG2 ARG 66 9.891 29.385 21.120
1047 HG3 ARG 66 HG3 ARG 66 11.064 28.412 22.042
1048 HD2 ARG 66 HD2 ARG 66 9.218 27.035 21.222
1049 HD3 ARG 66 HD3 ARG 66 9.304 27.046 22.980
1050 HE ARG 66 HE ARG 66 7.286 28.526 21.289
1051 HH11 ARG 66 HH11 ARG 66 8.018 27.069 24.482
1052 HH12 ARG 66 HH12 ARG 66 6.377 27.452 24.989
1053 HH21 ARG 66 HH21 ARG 66 5.270 28.848 22.183
1054 HH22 ARG 66 HH22 ARG 66 4.993 28.289 23.840
Start of MODEL 20
1 H1 GLY -3 H1 GLY -3 20.592 -2.282 -5.675
2 H2 GLY -3 H2 GLY -3 20.018 -1.678 -4.263
3 H3 GLY -3 H3 GLY -3 21.615 -2.025 -4.415
4 HA2 GLY -3 HA2 GLY -3 21.907 -0.309 -6.068
5 HA3 GLY -3 HA3 GLY -3 20.179 0.069 -5.927
6 HA PRO -2 HA PRO -2 22.741 2.612 -2.876
7 HB2 PRO -2 HB2 PRO -2 22.353 5.113 -3.922
8 HB3 PRO -2 HB3 PRO -2 23.657 4.011 -4.465
9 HG2 PRO -2 HG2 PRO -2 20.915 4.418 -5.719
10 HG3 PRO -2 HG3 PRO -2 22.513 4.436 -6.546
11 HD2 PRO -2 HD2 PRO -2 20.980 2.212 -6.535
12 HD3 PRO -2 HD3 PRO -2 22.750 2.108 -6.362
13 H GLY -1 H GLY -1 21.931 3.934 -1.219
14 HA2 GLY -1 HA2 GLY -1 19.147 4.900 -1.182
15 HA3 GLY -1 HA3 GLY -1 19.444 3.464 -0.203
16 H SER 0 H SER 0 21.933 5.921 -0.569
17 HA SER 0 HA SER 0 22.406 6.080 2.216
18 HB2 SER 0 HB2 SER 0 23.416 7.957 0.053
19 HB3 SER 0 HB3 SER 0 24.162 7.629 1.626
20 HG SER 0 HG SER 0 25.154 6.420 -0.065
21 H MET 1 H MET 1 20.017 7.804 0.566
22 HA MET 1 HA MET 1 19.683 9.730 2.776
23 HB2 MET 1 HB2 MET 1 19.339 11.604 1.280
24 HB3 MET 1 HB3 MET 1 20.981 10.977 1.098
25 HG2 MET 1 HG2 MET 1 20.328 9.811 -0.965
26 HG3 MET 1 HG3 MET 1 18.661 10.358 -0.782
27 HE1 MET 1 HE1 MET 1 17.773 12.740 -1.264
28 HE2 MET 1 HE2 MET 1 18.792 13.439 0.011
29 HE3 MET 1 HE3 MET 1 18.795 14.148 -1.618
30 H CYS 2 H CYS 2 17.525 10.694 2.830
31 HA CYS 2 HA CYS 2 15.396 9.217 1.364
32 HB2 CYS 2 HB2 CYS 2 16.103 8.049 3.504
33 HB3 CYS 2 HB3 CYS 2 15.510 9.456 4.397
34 HG CYS 2 HG CYS 2 13.799 7.423 4.516
35 H MET 3 H MET 3 13.192 10.131 2.111
36 HA MET 3 HA MET 3 13.202 12.995 2.842
37 HB2 MET 3 HB2 MET 3 11.772 11.923 0.366
38 HB3 MET 3 HB3 MET 3 11.458 13.463 1.152
39 HG2 MET 3 HG2 MET 3 12.793 14.048 -0.627
40 HG3 MET 3 HG3 MET 3 13.844 14.114 0.767
41 HE1 MET 3 HE1 MET 3 13.974 11.017 -2.646
42 HE2 MET 3 HE2 MET 3 12.872 10.742 -1.274
43 HE3 MET 3 HE3 MET 3 12.679 12.187 -2.297
44 H ALA 4 H ALA 4 11.277 13.703 3.793
45 HA ALA 4 HA ALA 4 9.516 11.538 4.883
46 HB1 ALA 4 HB1 ALA 4 10.710 12.782 6.586
47 HB2 ALA 4 HB2 ALA 4 10.177 14.340 5.882
48 HB3 ALA 4 HB3 ALA 4 9.010 13.237 6.643
49 H LYS 5 H LYS 5 7.345 11.980 5.239
50 HA LYS 5 HA LYS 5 5.989 14.041 3.538
51 HB2 LYS 5 HB2 LYS 5 4.938 11.912 3.292
52 HB3 LYS 5 HB3 LYS 5 4.937 11.611 5.039
53 HG2 LYS 5 HG2 LYS 5 3.297 13.359 5.424
54 HG3 LYS 5 HG3 LYS 5 3.400 13.888 3.733
55 HD2 LYS 5 HD2 LYS 5 2.408 11.830 2.955
56 HD3 LYS 5 HD3 LYS 5 2.464 11.107 4.586
57 HE2 LYS 5 HE2 LYS 5 0.847 12.656 5.446
58 HE3 LYS 5 HE3 LYS 5 1.020 13.709 4.045
59 HZ1 LYS 5 HZ1 LYS 5 -0.278 11.030 4.081
60 HZ2 LYS 5 HZ2 LYS 5 -0.993 12.490 3.790
61 HZ3 LYS 5 HZ3 LYS 5 0.033 11.865 2.699
62 H VAL 6 H VAL 6 5.444 15.917 4.515
63 HA VAL 6 HA VAL 6 5.390 16.032 7.511
64 HB VAL 6 HB VAL 6 5.884 18.274 5.545
65 HG11 VAL 6 HG11 VAL 6 4.591 19.165 7.437
66 HG12 VAL 6 HG12 VAL 6 5.700 18.367 8.575
67 HG13 VAL 6 HG13 VAL 6 6.273 19.688 7.532
68 HG21 VAL 6 HG21 VAL 6 7.688 17.096 7.687
69 HG22 VAL 6 HG22 VAL 6 7.841 16.786 5.960
70 HG23 VAL 6 HG23 VAL 6 8.074 18.421 6.574
71 H VAL 7 H VAL 7 3.512 16.603 8.540
72 HA VAL 7 HA VAL 7 1.202 17.585 6.929
73 HB VAL 7 HB VAL 7 0.846 15.240 7.053
74 HG11 VAL 7 HG11 VAL 7 1.102 15.408 10.083
75 HG12 VAL 7 HG12 VAL 7 0.561 13.997 9.161
76 HG13 VAL 7 HG13 VAL 7 2.219 14.578 8.976
77 HG21 VAL 7 HG21 VAL 7 -0.952 16.478 9.185
78 HG22 VAL 7 HG22 VAL 7 -1.126 16.796 7.456
79 HG23 VAL 7 HG23 VAL 7 -1.330 15.147 8.083
80 H LEU 8 H LEU 8 -0.131 18.997 7.842
81 HA LEU 8 HA LEU 8 0.046 19.696 10.702
82 HB2 LEU 8 HB2 LEU 8 0.620 22.001 10.307
83 HB3 LEU 8 HB3 LEU 8 1.824 20.972 9.565
84 HG LEU 8 HG LEU 8 0.292 21.356 7.390
85 HD11 LEU 8 HD11 LEU 8 -1.395 22.825 8.410
86 HD12 LEU 8 HD12 LEU 8 -0.120 23.898 9.035
87 HD13 LEU 8 HD13 LEU 8 -0.406 23.757 7.289
88 HD21 LEU 8 HD21 LEU 8 2.330 23.359 8.424
89 HD22 LEU 8 HD22 LEU 8 2.689 21.849 7.549
90 HD23 LEU 8 HD23 LEU 8 1.824 23.155 6.734
91 H THR 9 H THR 9 -1.625 21.253 11.331
92 HA THR 9 HA THR 9 -3.947 21.455 9.447
93 HB THR 9 HB THR 9 -4.233 21.138 12.448
94 HG1 THR 9 HG1 THR 9 -3.539 19.203 11.567
95 HG21 THR 9 HG21 THR 9 -6.101 22.326 11.338
96 HG22 THR 9 HG22 THR 9 -6.221 21.025 10.131
97 HG23 THR 9 HG23 THR 9 -6.610 20.703 11.837
98 H LYS 10 H LYS 10 -4.658 23.418 9.074
99 HA LYS 10 HA LYS 10 -3.284 25.770 10.148
100 HB2 LYS 10 HB2 LYS 10 -5.653 25.464 8.247
101 HB3 LYS 10 HB3 LYS 10 -4.800 26.972 8.568
102 HG2 LYS 10 HG2 LYS 10 -2.681 25.999 7.735
103 HG3 LYS 10 HG3 LYS 10 -3.514 24.490 7.350
104 HD2 LYS 10 HD2 LYS 10 -4.205 27.198 6.136
105 HD3 LYS 10 HD3 LYS 10 -3.162 25.981 5.383
106 HE2 LYS 10 HE2 LYS 10 -5.032 24.352 5.403
107 HE3 LYS 10 HE3 LYS 10 -6.094 25.568 6.134
108 HZ1 LYS 10 HZ1 LYS 10 -4.802 25.832 3.478
109 HZ2 LYS 10 HZ2 LYS 10 -6.371 25.461 3.726
110 HZ3 LYS 10 HZ3 LYS 10 -5.807 26.933 4.155
111 H ALA 11 H ALA 11 -4.464 27.693 10.924
112 HA ALA 11 HA ALA 11 -6.015 27.225 13.264
113 HB1 ALA 11 HB1 ALA 11 -5.643 29.747 11.587
114 HB2 ALA 11 HB2 ALA 11 -6.255 29.685 13.254
115 HB3 ALA 11 HB3 ALA 11 -4.582 29.190 12.911
116 H ASP 12 H ASP 12 -7.064 27.657 9.931
117 HA ASP 12 HA ASP 12 -9.897 28.020 10.562
118 HB2 ASP 12 HB2 ASP 12 -8.478 27.362 7.963
119 HB3 ASP 12 HB3 ASP 12 -10.185 27.774 8.111
120 H GLY 13 H GLY 13 -7.975 25.324 10.915
121 HA2 GLY 13 HA2 GLY 13 -8.614 23.201 11.547
122 HA3 GLY 13 HA3 GLY 13 -10.264 23.500 10.991
123 H GLY 14 H GLY 14 -8.301 24.288 8.402
124 HA2 GLY 14 HA2 GLY 14 -8.757 21.715 7.022
125 HA3 GLY 14 HA3 GLY 14 -8.172 23.211 6.298
126 H ARG 15 H ARG 15 -7.136 20.288 6.379
127 HA ARG 15 HA ARG 15 -4.477 20.570 7.620
128 HB2 ARG 15 HB2 ARG 15 -5.531 18.332 5.858
129 HB3 ARG 15 HB3 ARG 15 -4.003 18.359 6.745
130 HG2 ARG 15 HG2 ARG 15 -5.494 18.749 8.875
131 HG3 ARG 15 HG3 ARG 15 -6.797 18.122 7.855
132 HD2 ARG 15 HD2 ARG 15 -4.186 16.753 8.610
133 HD3 ARG 15 HD3 ARG 15 -5.792 16.295 9.145
134 HE ARG 15 HE ARG 15 -4.503 15.713 6.540
135 HH11 ARG 15 HH11 ARG 15 -7.627 15.634 8.172
136 HH12 ARG 15 HH12 ARG 15 -8.250 14.476 7.019
137 HH21 ARG 15 HH21 ARG 15 -5.314 14.404 5.191
138 HH22 ARG 15 HH22 ARG 15 -6.964 13.785 5.313
139 H VAL 16 H VAL 16 -2.526 20.317 6.582
140 HA VAL 16 HA VAL 16 -2.382 20.616 3.632
141 HB VAL 16 HB VAL 16 -0.624 22.193 5.539
142 HG11 VAL 16 HG11 VAL 16 -0.532 21.996 2.497
143 HG12 VAL 16 HG12 VAL 16 0.404 23.136 3.484
144 HG13 VAL 16 HG13 VAL 16 0.709 21.406 3.628
145 HG21 VAL 16 HG21 VAL 16 -2.668 23.130 3.497
146 HG22 VAL 16 HG22 VAL 16 -2.773 23.292 5.262
147 HG23 VAL 16 HG23 VAL 16 -1.530 24.182 4.370
148 H GLU 17 H GLU 17 -1.030 19.182 2.736
149 HA GLU 17 HA GLU 17 0.771 17.531 4.452
150 HB2 GLU 17 HB2 GLU 17 -1.314 16.539 2.481
151 HB3 GLU 17 HB3 GLU 17 0.006 15.539 3.112
152 HG2 GLU 17 HG2 GLU 17 -0.782 15.809 5.376
153 HG3 GLU 17 HG3 GLU 17 -2.042 16.947 4.893
154 H ILE 18 H ILE 18 2.729 17.202 3.638
155 HA ILE 18 HA ILE 18 3.340 18.117 0.847
156 HB ILE 18 HB ILE 18 4.946 18.771 3.345
157 HG12 ILE 18 HG12 ILE 18 3.031 20.590 1.807
158 HG13 ILE 18 HG13 ILE 18 2.781 19.972 3.443
159 HG21 ILE 18 HG21 ILE 18 6.213 20.255 1.872
160 HG22 ILE 18 HG22 ILE 18 6.216 18.640 1.187
161 HG23 ILE 18 HG23 ILE 18 5.141 19.880 0.507
162 HD11 ILE 18 HD11 ILE 18 4.883 21.977 2.597
163 HD12 ILE 18 HD12 ILE 18 3.515 22.184 3.687
164 HD13 ILE 18 HD13 ILE 18 4.867 21.152 4.187
165 H GLY 19 H GLY 19 4.076 16.397 -0.219
166 HA2 GLY 19 HA2 GLY 19 5.558 14.215 1.071
167 HA3 GLY 19 HA3 GLY 19 5.085 14.324 -0.614
168 H ASP 20 H ASP 20 7.545 13.410 0.186
169 HA ASP 20 HA ASP 20 9.748 13.517 -0.258
170 HB2 ASP 20 HB2 ASP 20 8.903 15.270 -2.556
171 HB3 ASP 20 HB3 ASP 20 10.362 14.296 -2.419
172 H VAL 21 H VAL 21 9.185 15.256 1.830
173 HA VAL 21 HA VAL 21 10.741 17.725 1.515
174 HB VAL 21 HB VAL 21 9.618 16.316 3.956
175 HG11 VAL 21 HG11 VAL 21 11.024 19.008 3.748
176 HG12 VAL 21 HG12 VAL 21 10.058 18.473 5.143
177 HG13 VAL 21 HG13 VAL 21 11.529 17.603 4.735
178 HG21 VAL 21 HG21 VAL 21 8.789 18.840 2.454
179 HG22 VAL 21 HG22 VAL 21 7.915 17.289 2.454
180 HG23 VAL 21 HG23 VAL 21 8.029 18.236 3.934
181 H LEU 22 H LEU 22 12.883 17.823 1.454
182 HA LEU 22 HA LEU 22 14.650 15.584 2.151
183 HB2 LEU 22 HB2 LEU 22 15.029 18.453 1.193
184 HB3 LEU 22 HB3 LEU 22 16.393 17.420 1.585
185 HG LEU 22 HG LEU 22 14.327 16.590 -0.489
186 HD11 LEU 22 HD11 LEU 22 15.976 17.432 -2.177
187 HD12 LEU 22 HD12 LEU 22 15.294 18.743 -1.202
188 HD13 LEU 22 HD13 LEU 22 16.934 18.156 -0.875
189 HD21 LEU 22 HD21 LEU 22 15.931 14.843 0.453
190 HD22 LEU 22 HD22 LEU 22 16.136 15.139 -1.282
191 HD23 LEU 22 HD23 LEU 22 17.273 15.840 -0.107
192 H GLU 23 H GLU 23 13.761 18.720 3.557
193 HA GLU 23 HA GLU 23 14.795 17.931 6.188
194 HB2 GLU 23 HB2 GLU 23 16.793 18.897 5.080
195 HB3 GLU 23 HB3 GLU 23 15.897 20.390 4.761
196 HG2 GLU 23 HG2 GLU 23 15.640 20.753 7.193
197 HG3 GLU 23 HG3 GLU 23 16.496 19.244 7.524
198 H VAL 24 H VAL 24 13.821 18.975 7.865
199 HA VAL 24 HA VAL 24 11.988 21.249 7.356
200 HB VAL 24 HB VAL 24 10.593 19.301 7.337
201 HG11 VAL 24 HG11 VAL 24 11.926 17.683 8.528
202 HG12 VAL 24 HG12 VAL 24 11.647 18.535 10.065
203 HG13 VAL 24 HG13 VAL 24 10.295 17.796 9.184
204 HG21 VAL 24 HG21 VAL 24 10.233 20.629 10.053
205 HG22 VAL 24 HG22 VAL 24 9.753 21.364 8.506
206 HG23 VAL 24 HG23 VAL 24 8.984 19.863 9.043
207 H ARG 25 H ARG 25 12.012 22.799 8.908
208 HA ARG 25 HA ARG 25 13.658 22.408 11.389
209 HB2 ARG 25 HB2 ARG 25 13.767 24.834 9.557
210 HB3 ARG 25 HB3 ARG 25 14.700 24.573 11.024
211 HG2 ARG 25 HG2 ARG 25 15.852 22.633 9.907
212 HG3 ARG 25 HG3 ARG 25 14.982 23.026 8.411
213 HD2 ARG 25 HD2 ARG 25 15.960 25.313 8.468
214 HD3 ARG 25 HD3 ARG 25 16.893 24.873 9.917
215 HE ARG 25 HE ARG 25 17.621 22.904 8.158
216 HH11 ARG 25 HH11 ARG 25 17.808 26.394 7.950
217 HH12 ARG 25 HH12 ARG 25 19.036 26.343 6.706
218 HH21 ARG 25 HH21 ARG 25 18.972 22.900 6.437
219 HH22 ARG 25 HH22 ARG 25 19.738 24.396 5.925
220 H ALA 26 H ALA 26 12.919 23.362 13.207
221 HA ALA 26 HA ALA 26 10.546 25.168 13.102
222 HB1 ALA 26 HB1 ALA 26 10.385 23.305 14.689
223 HB2 ALA 26 HB2 ALA 26 11.942 23.767 15.420
224 HB3 ALA 26 HB3 ALA 26 10.541 24.850 15.556
225 H GLU 27 H GLU 27 11.099 27.249 12.790
226 HA GLU 27 HA GLU 27 13.571 28.402 13.989
227 HB2 GLU 27 HB2 GLU 27 14.250 27.266 11.923
228 HB3 GLU 27 HB3 GLU 27 13.055 28.192 11.001
229 HG2 GLU 27 HG2 GLU 27 14.240 30.298 11.639
230 HG3 GLU 27 HG3 GLU 27 15.433 29.340 12.515
231 H GLY 28 H GLY 28 13.129 30.375 14.766
232 HA2 GLY 28 HA2 GLY 28 12.361 32.514 14.968
233 HA3 GLY 28 HA3 GLY 28 12.090 32.506 13.223
234 H GLY 29 H GLY 29 10.407 30.404 15.563
235 HA2 GLY 29 HA2 GLY 29 8.223 30.374 16.321
236 HA3 GLY 29 HA3 GLY 29 7.960 31.992 15.666
237 H ALA 30 H ALA 30 9.149 29.638 13.413
238 HA ALA 30 HA ALA 30 6.456 28.817 12.481
239 HB1 ALA 30 HB1 ALA 30 8.599 30.079 10.706
240 HB2 ALA 30 HB2 ALA 30 7.036 29.451 10.165
241 HB3 ALA 30 HB3 ALA 30 7.095 30.879 11.215
242 H VAL 31 H VAL 31 6.465 26.873 11.254
243 HA VAL 31 HA VAL 31 9.057 25.372 11.233
244 HB VAL 31 HB VAL 31 6.287 24.290 10.767
245 HG11 VAL 31 HG11 VAL 31 7.775 23.067 9.286
246 HG12 VAL 31 HG12 VAL 31 9.039 22.979 10.529
247 HG13 VAL 31 HG13 VAL 31 7.556 22.068 10.731
248 HG21 VAL 31 HG21 VAL 31 8.422 23.701 12.888
249 HG22 VAL 31 HG22 VAL 31 6.996 24.721 13.136
250 HG23 VAL 31 HG23 VAL 31 6.789 22.996 12.803
251 H ARG 32 H ARG 32 10.089 24.856 9.418
252 HA ARG 32 HA ARG 32 9.118 25.983 6.819
253 HB2 ARG 32 HB2 ARG 32 11.954 26.221 7.914
254 HB3 ARG 32 HB3 ARG 32 11.278 27.003 6.476
255 HG2 ARG 32 HG2 ARG 32 9.717 28.303 8.005
256 HG3 ARG 32 HG3 ARG 32 10.534 27.568 9.387
257 HD2 ARG 32 HD2 ARG 32 12.695 28.542 8.568
258 HD3 ARG 32 HD3 ARG 32 11.764 29.434 7.352
259 HE ARG 32 HE ARG 32 11.346 29.655 10.340
260 HH11 ARG 32 HH11 ARG 32 11.495 31.356 7.276
261 HH12 ARG 32 HH12 ARG 32 11.076 32.880 8.027
262 HH21 ARG 32 HH21 ARG 32 10.871 31.517 11.194
263 HH22 ARG 32 HH22 ARG 32 10.752 32.981 10.223
264 H VAL 33 H VAL 33 9.674 24.861 4.979
265 HA VAL 33 HA VAL 33 11.138 22.268 5.318
266 HB VAL 33 HB VAL 33 9.483 21.174 3.852
267 HG11 VAL 33 HG11 VAL 33 9.347 20.854 6.255
268 HG12 VAL 33 HG12 VAL 33 8.273 22.268 6.420
269 HG13 VAL 33 HG13 VAL 33 7.741 20.836 5.516
270 HG21 VAL 33 HG21 VAL 33 8.462 23.172 2.781
271 HG22 VAL 33 HG22 VAL 33 7.257 22.115 3.523
272 HG23 VAL 33 HG23 VAL 33 7.711 23.605 4.341
273 H THR 34 H THR 34 12.187 21.409 3.572
274 HA THR 34 HA THR 34 12.143 22.932 0.992
275 HB THR 34 HB THR 34 14.578 21.554 2.185
276 HG1 THR 34 HG1 THR 34 14.165 23.505 3.203
277 HG21 THR 34 HG21 THR 34 14.627 21.461 -0.250
278 HG22 THR 34 HG22 THR 34 14.208 23.193 -0.364
279 HG23 THR 34 HG23 THR 34 15.774 22.693 0.308
280 H THR 35 H THR 35 11.526 21.729 -0.689
281 HA THR 35 HA THR 35 11.200 18.792 -0.326
282 HB THR 35 HB THR 35 9.702 18.849 -2.192
283 HG1 THR 35 HG1 THR 35 10.173 21.624 -2.318
284 HG21 THR 35 HG21 THR 35 9.010 21.154 -0.332
285 HG22 THR 35 HG22 THR 35 7.901 20.216 -1.350
286 HG23 THR 35 HG23 THR 35 8.743 19.422 -0.012
287 H LEU 36 H LEU 36 11.662 17.303 -1.969
288 HA LEU 36 HA LEU 36 14.075 17.320 -3.408
289 HB2 LEU 36 HB2 LEU 36 12.887 15.348 -2.871
290 HB3 LEU 36 HB3 LEU 36 11.420 15.886 -3.659
291 HG LEU 36 HG LEU 36 13.826 15.527 -5.433
292 HD11 LEU 36 HD11 LEU 36 12.199 13.212 -4.307
293 HD12 LEU 36 HD12 LEU 36 13.393 13.123 -5.628
294 HD13 LEU 36 HD13 LEU 36 13.934 13.535 -3.995
295 HD21 LEU 36 HD21 LEU 36 10.864 14.762 -5.670
296 HD22 LEU 36 HD22 LEU 36 11.592 16.230 -6.349
297 HD23 LEU 36 HD23 LEU 36 12.079 14.652 -6.967
298 H PHE 37 H PHE 37 10.974 18.746 -4.328
299 HA PHE 37 HA PHE 37 11.661 19.197 -7.117
300 HB2 PHE 37 HB2 PHE 37 9.461 20.476 -5.469
301 HB3 PHE 37 HB3 PHE 37 9.525 20.286 -7.214
302 HD1 PHE 37 HD1 PHE 37 8.283 18.901 -4.191
303 HD2 PHE 37 HD2 PHE 37 9.681 17.788 -8.108
304 HE1 PHE 37 HE1 PHE 37 7.093 16.725 -3.989
305 HE2 PHE 37 HE2 PHE 37 8.495 15.619 -7.925
306 HZ PHE 37 HZ PHE 37 7.192 15.087 -5.865
307 H ASP 38 H ASP 38 13.046 20.537 -4.542
308 HA ASP 38 HA ASP 38 14.080 22.335 -3.885
309 HB2 ASP 38 HB2 ASP 38 15.299 23.728 -5.336
310 HB3 ASP 38 HB3 ASP 38 15.347 22.070 -5.893
311 H GLU 39 H GLU 39 11.049 22.466 -4.334
312 HA GLU 39 HA GLU 39 10.534 25.362 -4.022
313 HB2 GLU 39 HB2 GLU 39 8.947 23.866 -5.212
314 HB3 GLU 39 HB3 GLU 39 8.671 22.974 -3.713
315 HG2 GLU 39 HG2 GLU 39 7.773 25.004 -2.641
316 HG3 GLU 39 HG3 GLU 39 8.193 25.965 -4.060
317 H GLU 40 H GLU 40 9.961 26.350 -2.106
318 HA GLU 40 HA GLU 40 10.350 24.869 0.452
319 HB2 GLU 40 HB2 GLU 40 11.405 27.620 -0.267
320 HB3 GLU 40 HB3 GLU 40 11.408 26.928 1.364
321 HG2 GLU 40 HG2 GLU 40 12.883 25.123 0.675
322 HG3 GLU 40 HG3 GLU 40 12.814 25.640 -1.008
323 H HIS 41 H HIS 41 9.194 25.569 2.216
324 HA HIS 41 HA HIS 41 7.081 27.641 1.908
325 HB2 HIS 41 HB2 HIS 41 6.489 24.738 2.638
326 HB3 HIS 41 HB3 HIS 41 5.358 26.072 2.805
327 HD2 HIS 41 HD2 HIS 41 6.644 23.597 0.250
328 HE1 HIS 41 HE1 HIS 41 4.070 26.243 -1.883
329 HE2 HIS 41 HE2 HIS 41 5.401 24.089 -2.033
330 H ALA 42 H ALA 42 6.096 28.238 3.924
331 HA ALA 42 HA ALA 42 7.401 27.400 6.418
332 HB1 ALA 42 HB1 ALA 42 7.903 29.716 7.076
333 HB2 ALA 42 HB2 ALA 42 8.813 29.265 5.627
334 HB3 ALA 42 HB3 ALA 42 7.368 30.296 5.485
335 H PHE 43 H PHE 43 6.185 27.607 8.208
336 HA PHE 43 HA PHE 43 3.336 28.481 7.956
337 HB2 PHE 43 HB2 PHE 43 4.397 25.863 9.034
338 HB3 PHE 43 HB3 PHE 43 2.709 26.376 9.011
339 HD1 PHE 43 HD1 PHE 43 1.565 26.744 6.766
340 HD2 PHE 43 HD2 PHE 43 5.429 24.863 7.119
341 HE1 PHE 43 HE1 PHE 43 1.353 25.875 4.449
342 HE2 PHE 43 HE2 PHE 43 5.214 23.991 4.804
343 HZ PHE 43 HZ PHE 43 3.180 24.499 3.466
344 HA PRO 44 HA PRO 44 4.971 30.415 11.757
345 HB2 PRO 44 HB2 PRO 44 2.482 32.046 11.327
346 HB3 PRO 44 HB3 PRO 44 4.104 32.576 11.851
347 HG2 PRO 44 HG2 PRO 44 3.340 32.927 9.270
348 HG3 PRO 44 HG3 PRO 44 4.985 32.296 9.622
349 HD2 PRO 44 HD2 PRO 44 2.487 30.742 8.874
350 HD3 PRO 44 HD3 PRO 44 4.136 30.615 8.199
351 H GLY 45 H GLY 45 4.477 30.264 13.879
352 HA2 GLY 45 HA2 GLY 45 3.264 29.927 15.825
353 HA3 GLY 45 HA3 GLY 45 1.796 29.642 14.893
354 H LEU 46 H LEU 46 4.233 27.651 13.669
355 HA LEU 46 HA LEU 46 3.276 25.316 15.253
356 HB2 LEU 46 HB2 LEU 46 4.585 25.396 12.522
357 HB3 LEU 46 HB3 LEU 46 4.029 23.940 13.358
358 HG LEU 46 HG LEU 46 2.295 26.195 12.253
359 HD11 LEU 46 HD11 LEU 46 1.512 24.486 10.728
360 HD12 LEU 46 HD12 LEU 46 3.279 24.532 10.644
361 HD13 LEU 46 HD13 LEU 46 2.473 23.237 11.543
362 HD21 LEU 46 HD21 LEU 46 0.366 24.762 12.857
363 HD22 LEU 46 HD22 LEU 46 1.448 23.672 13.755
364 HD23 LEU 46 HD23 LEU 46 1.201 25.356 14.290
365 H ALA 47 H ALA 47 4.676 23.609 15.683
366 HA ALA 47 HA ALA 47 7.587 23.946 15.490
367 HB1 ALA 47 HB1 ALA 47 6.162 23.174 18.074
368 HB2 ALA 47 HB2 ALA 47 7.918 23.154 17.803
369 HB3 ALA 47 HB3 ALA 47 7.049 24.701 17.780
370 H ILE 48 H ILE 48 8.682 21.790 15.620
371 HA ILE 48 HA ILE 48 7.164 19.756 14.195
372 HB ILE 48 HB ILE 48 9.969 19.702 15.338
373 HG12 ILE 48 HG12 ILE 48 9.197 19.852 12.401
374 HG13 ILE 48 HG13 ILE 48 9.380 21.317 13.358
375 HG21 ILE 48 HG21 ILE 48 8.533 17.731 13.508
376 HG22 ILE 48 HG22 ILE 48 10.270 17.686 13.828
377 HG23 ILE 48 HG23 ILE 48 9.136 17.394 15.150
378 HD11 ILE 48 HD11 ILE 48 11.560 19.262 12.838
379 HD12 ILE 48 HD12 ILE 48 11.441 20.892 12.177
380 HD13 ILE 48 HD13 ILE 48 11.722 20.668 13.917
381 H GLY 49 H GLY 49 5.869 18.281 15.056
382 HA2 GLY 49 HA2 GLY 49 5.605 18.114 17.978
383 HA3 GLY 49 HA3 GLY 49 4.474 17.522 16.749
384 H ARG 50 H ARG 50 5.575 15.692 15.317
385 HA ARG 50 HA ARG 50 7.259 13.869 16.892
386 HB2 ARG 50 HB2 ARG 50 5.762 12.003 16.950
387 HB3 ARG 50 HB3 ARG 50 5.044 13.373 17.802
388 HG2 ARG 50 HG2 ARG 50 3.550 13.841 15.965
389 HG3 ARG 50 HG3 ARG 50 4.276 12.556 14.971
390 HD2 ARG 50 HD2 ARG 50 2.828 12.192 17.625
391 HD3 ARG 50 HD3 ARG 50 2.119 11.921 16.037
392 HE ARG 50 HE ARG 50 3.971 10.171 15.696
393 HH11 ARG 50 HH11 ARG 50 2.627 10.725 18.906
394 HH12 ARG 50 HH12 ARG 50 3.040 9.114 19.434
395 HH21 ARG 50 HH21 ARG 50 4.373 8.147 16.418
396 HH22 ARG 50 HH22 ARG 50 4.062 7.730 18.095
397 H VAL 51 H VAL 51 7.980 12.054 15.894
398 HA VAL 51 HA VAL 51 8.001 12.052 12.891
399 HB VAL 51 HB VAL 51 10.400 11.448 14.667
400 HG11 VAL 51 HG11 VAL 51 10.452 10.363 12.447
401 HG12 VAL 51 HG12 VAL 51 10.125 11.921 11.666
402 HG13 VAL 51 HG13 VAL 51 11.648 11.666 12.532
403 HG21 VAL 51 HG21 VAL 51 9.951 13.822 14.946
404 HG22 VAL 51 HG22 VAL 51 11.357 13.594 13.922
405 HG23 VAL 51 HG23 VAL 51 9.798 14.041 13.188
406 H ASP 52 H ASP 52 7.439 10.127 12.060
407 HA ASP 52 HA ASP 52 7.653 7.637 13.733
408 HB2 ASP 52 HB2 ASP 52 5.413 8.564 11.881
409 HB3 ASP 52 HB3 ASP 52 5.588 6.914 12.489
410 H LEU 53 H LEU 53 9.576 6.892 12.882
411 HA LEU 53 HA LEU 53 10.137 6.904 10.038
412 HB2 LEU 53 HB2 LEU 53 11.512 5.377 12.284
413 HB3 LEU 53 HB3 LEU 53 12.088 5.577 10.637
414 HG LEU 53 HG LEU 53 13.387 7.022 11.852
415 HD11 LEU 53 HD11 LEU 53 12.490 8.051 9.806
416 HD12 LEU 53 HD12 LEU 53 11.199 8.825 10.758
417 HD13 LEU 53 HD13 LEU 53 12.886 9.263 11.038
418 HD21 LEU 53 HD21 LEU 53 12.197 7.116 13.959
419 HD22 LEU 53 HD22 LEU 53 12.694 8.718 13.426
420 HD23 LEU 53 HD23 LEU 53 10.998 8.236 13.272
421 H ARG 54 H ARG 54 8.192 4.874 11.890
422 HA ARG 54 HA ARG 54 8.213 2.399 10.400
423 HB2 ARG 54 HB2 ARG 54 5.983 3.892 11.863
424 HB3 ARG 54 HB3 ARG 54 5.841 2.250 11.233
425 HG2 ARG 54 HG2 ARG 54 7.611 1.434 12.690
426 HG3 ARG 54 HG3 ARG 54 7.929 3.066 13.294
427 HD2 ARG 54 HD2 ARG 54 5.247 1.693 13.601
428 HD3 ARG 54 HD3 ARG 54 6.546 1.574 14.792
429 HE ARG 54 HE ARG 54 5.230 4.156 13.979
430 HH11 ARG 54 HH11 ARG 54 5.107 5.799 15.531
431 HH12 ARG 54 HH12 ARG 54 5.579 5.377 17.166
432 HH21 ARG 54 HH21 ARG 54 6.617 2.258 16.628
433 HH22 ARG 54 HH22 ARG 54 6.398 3.606 17.727
434 H SER 55 H SER 55 6.889 5.555 9.651
435 HA SER 55 HA SER 55 5.893 4.549 7.000
436 HB2 SER 55 HB2 SER 55 4.521 6.570 8.799
437 HB3 SER 55 HB3 SER 55 3.951 6.018 7.219
438 HG SER 55 HG SER 55 3.621 3.958 8.060
439 H GLY 56 H GLY 56 7.939 6.795 8.546
440 HA2 GLY 56 HA2 GLY 56 9.278 8.467 7.669
441 HA3 GLY 56 HA3 GLY 56 8.579 8.194 6.072
442 H VAL 57 H VAL 57 6.482 8.876 8.825
443 HA VAL 57 HA VAL 57 5.686 11.447 7.553
444 HB VAL 57 HB VAL 57 4.146 9.764 9.548
445 HG11 VAL 57 HG11 VAL 57 3.342 12.263 7.983
446 HG12 VAL 57 HG12 VAL 57 2.234 11.251 8.925
447 HG13 VAL 57 HG13 VAL 57 3.501 12.136 9.755
448 HG21 VAL 57 HG21 VAL 57 2.646 9.308 7.635
449 HG22 VAL 57 HG22 VAL 57 3.712 10.233 6.567
450 HG23 VAL 57 HG23 VAL 57 4.270 8.717 7.282
451 H ILE 58 H ILE 58 5.787 13.315 8.513
452 HA ILE 58 HA ILE 58 6.716 13.616 11.343
453 HB ILE 58 HB ILE 58 7.374 15.157 8.816
454 HG12 ILE 58 HG12 ILE 58 9.099 13.855 10.957
455 HG13 ILE 58 HG13 ILE 58 8.745 13.168 9.372
456 HG21 ILE 58 HG21 ILE 58 8.549 16.836 10.251
457 HG22 ILE 58 HG22 ILE 58 6.816 16.885 10.455
458 HG23 ILE 58 HG23 ILE 58 7.823 16.074 11.689
459 HD11 ILE 58 HD11 ILE 58 9.846 15.252 8.354
460 HD12 ILE 58 HD12 ILE 58 10.444 15.587 10.005
461 HD13 ILE 58 HD13 ILE 58 10.905 14.088 9.185
462 H SER 59 H SER 59 5.191 14.437 12.603
463 HA SER 59 HA SER 59 2.904 15.968 11.403
464 HB2 SER 59 HB2 SER 59 2.409 13.863 12.698
465 HB3 SER 59 HB3 SER 59 3.048 14.692 14.124
466 HG SER 59 HG SER 59 0.759 14.895 13.882
467 H LEU 60 H LEU 60 2.671 18.052 11.802
468 HA LEU 60 HA LEU 60 4.408 19.404 13.806
469 HB2 LEU 60 HB2 LEU 60 2.714 20.667 11.655
470 HB3 LEU 60 HB3 LEU 60 3.979 21.425 12.627
471 HG LEU 60 HG LEU 60 4.352 19.352 10.413
472 HD11 LEU 60 HD11 LEU 60 3.912 21.625 9.626
473 HD12 LEU 60 HD12 LEU 60 5.138 22.275 10.717
474 HD13 LEU 60 HD13 LEU 60 5.606 21.235 9.358
475 HD21 LEU 60 HD21 LEU 60 6.433 20.620 12.249
476 HD22 LEU 60 HD22 LEU 60 6.040 18.890 12.129
477 HD23 LEU 60 HD23 LEU 60 6.809 19.713 10.763
478 H ILE 61 H ILE 61 3.627 20.854 15.272
479 HA ILE 61 HA ILE 61 0.706 20.923 15.883
480 HB ILE 61 HB ILE 61 1.212 20.550 18.282
481 HG12 ILE 61 HG12 ILE 61 3.304 19.075 18.730
482 HG13 ILE 61 HG13 ILE 61 4.007 19.841 17.306
483 HG21 ILE 61 HG21 ILE 61 0.280 18.791 16.808
484 HG22 ILE 61 HG22 ILE 61 1.922 18.177 16.523
485 HG23 ILE 61 HG23 ILE 61 1.215 18.150 18.157
486 HD11 ILE 61 HD11 ILE 61 4.691 20.861 19.454
487 HD12 ILE 61 HD12 ILE 61 3.904 22.019 18.396
488 HD13 ILE 61 HD13 ILE 61 3.007 21.316 19.771
489 H GLU 62 H GLU 62 0.148 22.625 17.485
490 HA GLU 62 HA GLU 62 1.341 25.147 16.765
491 HB2 GLU 62 HB2 GLU 62 -0.450 24.525 19.160
492 HB3 GLU 62 HB3 GLU 62 -0.095 26.104 18.446
493 HG2 GLU 62 HG2 GLU 62 -2.098 25.763 17.473
494 HG3 GLU 62 HG3 GLU 62 -1.082 25.029 16.239
495 H GLU 63 H GLU 63 2.871 26.411 17.755
496 HA GLU 63 HA GLU 63 4.768 25.082 19.459
497 HB2 GLU 63 HB2 GLU 63 6.106 27.046 19.221
498 HB3 GLU 63 HB3 GLU 63 5.341 26.671 17.698
499 HG2 GLU 63 HG2 GLU 63 5.076 28.926 17.707
500 HG3 GLU 63 HG3 GLU 63 3.534 28.443 18.374
501 H GLN 64 H GLN 64 1.952 26.726 20.356
502 HA GLN 64 HA GLN 64 2.670 26.279 23.163
503 HB2 GLN 64 HB2 GLN 64 1.661 28.314 23.981
504 HB3 GLN 64 HB3 GLN 64 2.958 28.696 22.855
505 HG2 GLN 64 HG2 GLN 64 1.193 29.044 21.052
506 HG3 GLN 64 HG3 GLN 64 -0.033 28.840 22.310
507 HE21 GLN 64 HE21 GLN 64 2.861 30.830 21.461
508 HE22 GLN 64 HE22 GLN 64 2.270 32.275 22.310
509 H ASN 65 H ASN 65 0.991 25.515 24.414
510 HA ASN 65 HA ASN 65 -1.338 24.481 22.849
511 HB2 ASN 65 HB2 ASN 65 0.389 22.890 24.773
512 HB3 ASN 65 HB3 ASN 65 -0.865 22.272 23.698
513 HD21 ASN 65 HD21 ASN 65 -0.420 22.807 21.254
514 HD22 ASN 65 HD22 ASN 65 1.266 22.814 20.754
515 H ARG 66 H ARG 66 -1.157 26.609 25.054
516 HA ARG 66 HA ARG 66 -3.427 25.642 26.736
517 HB2 ARG 66 HB2 ARG 66 -0.918 27.041 27.749
518 HB3 ARG 66 HB3 ARG 66 -2.409 26.808 28.675
519 HG2 ARG 66 HG2 ARG 66 -2.186 24.342 28.423
520 HG3 ARG 66 HG3 ARG 66 -0.621 24.575 27.632
521 HD2 ARG 66 HD2 ARG 66 -1.306 25.541 30.441
522 HD3 ARG 66 HD3 ARG 66 -0.470 24.013 30.060
523 HE ARG 66 HE ARG 66 1.008 26.035 28.792
524 HH11 ARG 66 HH11 ARG 66 0.224 25.255 32.127
525 HH12 ARG 66 HH12 ARG 66 1.685 25.988 32.724
526 HH21 ARG 66 HH21 ARG 66 2.849 26.950 29.645
527 HH22 ARG 66 HH22 ARG 66 3.100 26.944 31.361
528 H1 GLY -3 H1 GLY -3 32.432 10.710 8.939
529 H2 GLY -3 H2 GLY -3 32.539 9.411 7.946
530 H3 GLY -3 H3 GLY -3 33.397 9.448 9.339
531 HA2 GLY -3 HA2 GLY -3 31.400 9.422 10.664
532 HA3 GLY -3 HA3 GLY -3 30.455 9.375 9.168
533 HA PRO -2 HA PRO -2 31.689 5.028 10.689
534 HB2 PRO -2 HB2 PRO -2 29.332 4.147 11.758
535 HB3 PRO -2 HB3 PRO -2 30.526 5.097 12.687
536 HG2 PRO -2 HG2 PRO -2 28.056 6.130 11.253
537 HG3 PRO -2 HG3 PRO -2 28.559 6.441 12.936
538 HD2 PRO -2 HD2 PRO -2 29.113 8.197 10.947
539 HD3 PRO -2 HD3 PRO -2 30.295 7.887 12.251
540 H GLY -1 H GLY -1 31.024 3.019 9.722
541 HA2 GLY -1 HA2 GLY -1 29.823 3.223 7.065
542 HA3 GLY -1 HA3 GLY -1 30.407 1.767 7.860
543 H SER 0 H SER 0 28.010 2.092 6.312
544 HA SER 0 HA SER 0 25.812 1.572 6.230
545 HB2 SER 0 HB2 SER 0 26.664 -0.416 7.483
546 HB3 SER 0 HB3 SER 0 26.065 0.330 8.972
547 HG SER 0 HG SER 0 24.563 -1.138 7.972
548 H MET 1 H MET 1 23.619 1.652 7.668
549 HA MET 1 HA MET 1 23.384 4.139 9.231
550 HB2 MET 1 HB2 MET 1 21.890 5.243 7.679
551 HB3 MET 1 HB3 MET 1 23.436 4.960 6.894
552 HG2 MET 1 HG2 MET 1 22.478 2.968 5.747
553 HG3 MET 1 HG3 MET 1 20.909 3.296 6.494
554 HE1 MET 1 HE1 MET 1 20.565 6.462 6.299
555 HE2 MET 1 HE2 MET 1 19.675 6.514 4.756
556 HE3 MET 1 HE3 MET 1 19.339 5.228 5.933
557 H CYS 2 H CYS 2 20.987 4.609 9.641
558 HA CYS 2 HA CYS 2 19.276 2.209 9.880
559 HB2 CYS 2 HB2 CYS 2 18.959 2.593 12.293
560 HB3 CYS 2 HB3 CYS 2 20.647 2.229 11.929
561 HG CYS 2 HG CYS 2 21.564 4.632 12.013
562 H MET 3 H MET 3 17.117 2.919 10.965
563 HA MET 3 HA MET 3 15.757 4.504 9.160
564 HB2 MET 3 HB2 MET 3 15.130 3.375 11.877
565 HB3 MET 3 HB3 MET 3 14.063 4.625 11.289
566 HG2 MET 3 HG2 MET 3 13.189 2.471 10.648
567 HG3 MET 3 HG3 MET 3 13.613 3.427 9.236
568 HE1 MET 3 HE1 MET 3 14.320 0.308 11.401
569 HE2 MET 3 HE2 MET 3 15.795 -0.382 10.711
570 HE3 MET 3 HE3 MET 3 15.878 1.131 11.629
571 H ALA 4 H ALA 4 16.809 5.597 12.432
572 HA ALA 4 HA ALA 4 17.456 8.181 11.345
573 HB1 ALA 4 HB1 ALA 4 15.097 8.664 11.742
574 HB2 ALA 4 HB2 ALA 4 15.199 8.013 13.390
575 HB3 ALA 4 HB3 ALA 4 16.062 9.503 12.962
576 H LYS 5 H LYS 5 18.523 9.557 12.932
577 HA LYS 5 HA LYS 5 19.265 8.270 15.488
578 HB2 LYS 5 HB2 LYS 5 21.607 8.941 15.299
579 HB3 LYS 5 HB3 LYS 5 21.142 7.710 14.125
580 HG2 LYS 5 HG2 LYS 5 21.028 9.415 12.340
581 HG3 LYS 5 HG3 LYS 5 21.489 10.680 13.504
582 HD2 LYS 5 HD2 LYS 5 23.609 9.506 13.959
583 HD3 LYS 5 HD3 LYS 5 23.165 8.226 12.838
584 HE2 LYS 5 HE2 LYS 5 23.512 11.156 12.070
585 HE3 LYS 5 HE3 LYS 5 24.808 9.962 11.988
586 HZ1 LYS 5 HZ1 LYS 5 22.308 9.889 10.385
587 HZ2 LYS 5 HZ2 LYS 5 23.813 10.145 9.847
588 HZ3 LYS 5 HZ3 LYS 5 23.410 8.673 10.420
589 H VAL 6 H VAL 6 19.306 9.527 17.192
590 HA VAL 6 HA VAL 6 18.462 12.368 16.843
591 HB VAL 6 HB VAL 6 18.044 10.391 19.086
592 HG11 VAL 6 HG11 VAL 6 16.808 12.175 20.286
593 HG12 VAL 6 HG12 VAL 6 18.534 12.478 20.243
594 HG13 VAL 6 HG13 VAL 6 17.440 13.369 19.138
595 HG21 VAL 6 HG21 VAL 6 16.060 12.092 17.553
596 HG22 VAL 6 HG22 VAL 6 16.468 10.422 17.100
597 HG23 VAL 6 HG23 VAL 6 15.704 10.773 18.660
598 H VAL 7 H VAL 7 19.515 14.057 17.843
599 HA VAL 7 HA VAL 7 21.834 13.492 19.590
600 HB VAL 7 HB VAL 7 22.812 13.714 17.393
601 HG11 VAL 7 HG11 VAL 7 21.592 16.509 17.214
602 HG12 VAL 7 HG12 VAL 7 22.722 15.755 16.073
603 HG13 VAL 7 HG13 VAL 7 21.098 15.099 16.241
604 HG21 VAL 7 HG21 VAL 7 24.442 15.430 17.848
605 HG22 VAL 7 HG22 VAL 7 23.358 16.267 18.974
606 HG23 VAL 7 HG23 VAL 7 24.009 14.657 19.377
607 H LEU 8 H LEU 8 22.201 14.930 21.191
608 HA LEU 8 HA LEU 8 20.852 17.526 21.274
609 HB2 LEU 8 HB2 LEU 8 19.631 17.219 23.276
610 HB3 LEU 8 HB3 LEU 8 19.115 16.041 22.114
611 HG LEU 8 HG LEU 8 19.016 15.074 24.261
612 HD11 LEU 8 HD11 LEU 8 21.347 13.796 22.895
613 HD12 LEU 8 HD12 LEU 8 20.174 13.067 24.014
614 HD13 LEU 8 HD13 LEU 8 19.638 13.617 22.429
615 HD21 LEU 8 HD21 LEU 8 21.949 15.552 24.756
616 HD22 LEU 8 HD22 LEU 8 20.613 16.497 25.450
617 HD23 LEU 8 HD23 LEU 8 20.765 14.766 25.809
618 H THR 9 H THR 9 21.492 18.850 23.109
619 HA THR 9 HA THR 9 24.241 18.214 24.124
620 HB THR 9 HB THR 9 23.134 20.991 23.599
621 HG1 THR 9 HG1 THR 9 23.440 19.929 21.666
622 HG21 THR 9 HG21 THR 9 25.513 21.657 23.735
623 HG22 THR 9 HG22 THR 9 24.969 20.950 25.264
624 HG23 THR 9 HG23 THR 9 25.963 19.984 24.163
625 H LYS 10 H LYS 10 24.591 18.273 26.231
626 HA LYS 10 HA LYS 10 22.360 18.575 28.130
627 HB2 LYS 10 HB2 LYS 10 25.301 17.875 28.434
628 HB3 LYS 10 HB3 LYS 10 24.130 17.849 29.753
629 HG2 LYS 10 HG2 LYS 10 22.831 16.095 28.530
630 HG3 LYS 10 HG3 LYS 10 24.127 16.015 27.316
631 HD2 LYS 10 HD2 LYS 10 24.544 15.596 30.311
632 HD3 LYS 10 HD3 LYS 10 24.285 14.272 29.155
633 HE2 LYS 10 HE2 LYS 10 26.344 14.507 28.151
634 HE3 LYS 10 HE3 LYS 10 26.499 16.222 28.562
635 HZ1 LYS 10 HZ1 LYS 10 26.655 14.121 30.624
636 HZ2 LYS 10 HZ2 LYS 10 27.970 14.750 29.871
637 HZ3 LYS 10 HZ3 LYS 10 27.014 15.712 30.776
638 H ALA 11 H ALA 11 22.634 19.772 30.138
639 HA ALA 11 HA ALA 11 23.299 22.534 29.800
640 HB1 ALA 11 HB1 ALA 11 21.581 21.664 31.349
641 HB2 ALA 11 HB2 ALA 11 22.846 20.890 32.337
642 HB3 ALA 11 HB3 ALA 11 22.767 22.664 32.200
643 H ASP 12 H ASP 12 25.296 19.832 30.894
644 HA ASP 12 HA ASP 12 27.416 21.519 31.980
645 HB2 ASP 12 HB2 ASP 12 28.598 19.459 32.366
646 HB3 ASP 12 HB3 ASP 12 26.944 19.334 32.930
647 H GLY 13 H GLY 13 26.474 21.098 28.860
648 HA2 GLY 13 HA2 GLY 13 27.501 21.897 26.926
649 HA3 GLY 13 HA3 GLY 13 29.073 21.920 27.731
650 H GLY 14 H GLY 14 27.990 18.848 28.382
651 HA2 GLY 14 HA2 GLY 14 29.482 17.546 26.220
652 HA3 GLY 14 HA3 GLY 14 28.618 16.772 27.547
653 H ARG 15 H ARG 15 28.433 15.678 25.050
654 HA ARG 15 HA ARG 15 25.626 16.257 24.190
655 HB2 ARG 15 HB2 ARG 15 28.075 15.878 22.439
656 HB3 ARG 15 HB3 ARG 15 26.428 15.628 21.841
657 HG2 ARG 15 HG2 ARG 15 25.791 17.883 22.540
658 HG3 ARG 15 HG3 ARG 15 27.434 18.204 23.116
659 HD2 ARG 15 HD2 ARG 15 28.317 18.057 20.881
660 HD3 ARG 15 HD3 ARG 15 26.759 17.505 20.231
661 HE ARG 15 HE ARG 15 25.928 19.772 21.298
662 HH11 ARG 15 HH11 ARG 15 28.831 19.416 19.364
663 HH12 ARG 15 HH12 ARG 15 28.795 21.085 18.860
664 HH21 ARG 15 HH21 ARG 15 25.958 21.847 20.669
665 HH22 ARG 15 HH22 ARG 15 27.195 22.438 19.584
666 H VAL 16 H VAL 16 24.419 14.679 23.296
667 HA VAL 16 HA VAL 16 25.126 11.855 23.984
668 HB VAL 16 HB VAL 16 22.671 13.461 24.683
669 HG11 VAL 16 HG11 VAL 16 21.590 11.480 25.564
670 HG12 VAL 16 HG12 VAL 16 21.782 11.360 23.833
671 HG13 VAL 16 HG13 VAL 16 22.883 10.439 24.896
672 HG21 VAL 16 HG21 VAL 16 24.475 13.566 26.325
673 HG22 VAL 16 HG22 VAL 16 23.088 12.670 26.960
674 HG23 VAL 16 HG23 VAL 16 24.533 11.798 26.399
675 H GLU 17 H GLU 17 24.199 10.278 22.624
676 HA GLU 17 HA GLU 17 22.596 11.161 20.293
677 HB2 GLU 17 HB2 GLU 17 25.186 9.582 20.070
678 HB3 GLU 17 HB3 GLU 17 24.005 9.805 18.771
679 HG2 GLU 17 HG2 GLU 17 24.340 12.264 18.921
680 HG3 GLU 17 HG3 GLU 17 25.634 12.005 20.113
681 H ILE 18 H ILE 18 21.300 9.586 19.374
682 HA ILE 18 HA ILE 18 21.270 6.856 20.590
683 HB ILE 18 HB ILE 18 18.726 8.427 20.029
684 HG12 ILE 18 HG12 ILE 18 18.580 8.064 22.712
685 HG13 ILE 18 HG13 ILE 18 20.324 8.216 22.588
686 HG21 ILE 18 HG21 ILE 18 19.203 5.784 21.467
687 HG22 ILE 18 HG22 ILE 18 17.639 6.577 21.188
688 HG23 ILE 18 HG23 ILE 18 18.561 5.968 19.821
689 HD11 ILE 18 HD11 ILE 18 18.188 10.218 21.703
690 HD12 ILE 18 HD12 ILE 18 19.315 10.385 23.058
691 HD13 ILE 18 HD13 ILE 18 19.927 10.456 21.406
692 H GLY 19 H GLY 19 21.419 5.360 19.031
693 HA2 GLY 19 HA2 GLY 19 20.695 5.977 16.204
694 HA3 GLY 19 HA3 GLY 19 21.767 4.688 16.732
695 H ASP 20 H ASP 20 19.935 3.952 14.974
696 HA ASP 20 HA ASP 20 18.221 2.571 14.474
697 HB2 ASP 20 HB2 ASP 20 18.633 1.395 17.237
698 HB3 ASP 20 HB3 ASP 20 17.891 0.614 15.845
699 H VAL 21 H VAL 21 17.428 5.104 15.401
700 HA VAL 21 HA VAL 21 15.241 4.942 17.293
701 HB VAL 21 HB VAL 21 16.143 7.167 15.435
702 HG11 VAL 21 HG11 VAL 21 13.996 7.183 17.578
703 HG12 VAL 21 HG12 VAL 21 14.774 8.631 16.887
704 HG13 VAL 21 HG13 VAL 21 13.823 7.574 15.847
705 HG21 VAL 21 HG21 VAL 21 16.428 6.744 18.445
706 HG22 VAL 21 HG22 VAL 21 17.739 6.582 17.253
707 HG23 VAL 21 HG23 VAL 21 16.987 8.158 17.530
708 H LEU 22 H LEU 22 13.130 4.698 16.983
709 HA LEU 22 HA LEU 22 12.105 4.351 14.196
710 HB2 LEU 22 HB2 LEU 22 12.443 2.307 15.635
711 HB3 LEU 22 HB3 LEU 22 11.214 2.930 16.725
712 HG LEU 22 HG LEU 22 9.602 2.906 14.793
713 HD11 LEU 22 HD11 LEU 22 11.105 2.912 12.871
714 HD12 LEU 22 HD12 LEU 22 11.827 1.373 13.405
715 HD13 LEU 22 HD13 LEU 22 10.142 1.435 12.846
716 HD21 LEU 22 HD21 LEU 22 10.779 0.189 15.371
717 HD22 LEU 22 HD22 LEU 22 9.729 1.085 16.495
718 HD23 LEU 22 HD23 LEU 22 9.112 0.574 14.915
719 H GLU 23 H GLU 23 11.588 5.962 17.253
720 HA GLU 23 HA GLU 23 9.465 7.622 16.061
721 HB2 GLU 23 HB2 GLU 23 8.281 5.727 17.090
722 HB3 GLU 23 HB3 GLU 23 9.096 6.041 18.627
723 HG2 GLU 23 HG2 GLU 23 7.984 8.337 18.637
724 HG3 GLU 23 HG3 GLU 23 7.085 7.836 17.213
725 H VAL 24 H VAL 24 9.491 9.712 16.839
726 HA VAL 24 HA VAL 24 10.787 10.358 19.419
727 HB VAL 24 HB VAL 24 11.487 11.990 16.972
728 HG11 VAL 24 HG11 VAL 24 12.501 12.073 19.831
729 HG12 VAL 24 HG12 VAL 24 13.228 12.964 18.487
730 HG13 VAL 24 HG13 VAL 24 11.576 13.325 18.970
731 HG21 VAL 24 HG21 VAL 24 13.778 11.136 17.159
732 HG22 VAL 24 HG22 VAL 24 13.206 9.898 18.291
733 HG23 VAL 24 HG23 VAL 24 12.615 9.924 16.620
734 H ARG 25 H ARG 25 9.777 12.114 20.465
735 HA ARG 25 HA ARG 25 8.022 13.914 18.956
736 HB2 ARG 25 HB2 ARG 25 6.010 13.462 20.343
737 HB3 ARG 25 HB3 ARG 25 6.463 12.157 19.239
738 HG2 ARG 25 HG2 ARG 25 7.443 10.857 21.058
739 HG3 ARG 25 HG3 ARG 25 7.047 12.121 22.230
740 HD2 ARG 25 HD2 ARG 25 4.825 11.570 22.283
741 HD3 ARG 25 HD3 ARG 25 4.753 11.247 20.554
742 HE ARG 25 HE ARG 25 5.711 9.038 20.891
743 HH11 ARG 25 HH11 ARG 25 4.391 10.414 23.901
744 HH12 ARG 25 HH12 ARG 25 4.176 8.801 24.539
745 HH21 ARG 25 HH21 ARG 25 5.461 7.233 21.739
746 HH22 ARG 25 HH22 ARG 25 4.825 6.992 23.368
747 H ALA 26 H ALA 26 7.485 15.761 19.896
748 HA ALA 26 HA ALA 26 8.871 16.573 22.399
749 HB1 ALA 26 HB1 ALA 26 9.184 18.018 20.423
750 HB2 ALA 26 HB2 ALA 26 7.422 18.197 20.257
751 HB3 ALA 26 HB3 ALA 26 8.256 18.857 21.682
752 H GLU 27 H GLU 27 7.733 16.671 24.238
753 HA GLU 27 HA GLU 27 4.775 16.727 24.309
754 HB2 GLU 27 HB2 GLU 27 5.508 14.371 23.701
755 HB3 GLU 27 HB3 GLU 27 6.383 14.305 25.230
756 HG2 GLU 27 HG2 GLU 27 4.154 14.769 26.395
757 HG3 GLU 27 HG3 GLU 27 3.390 14.585 24.809
758 H GLY 28 H GLY 28 4.117 17.731 26.144
759 HA2 GLY 28 HA2 GLY 28 4.032 18.510 28.291
760 HA3 GLY 28 HA3 GLY 28 4.983 17.108 28.736
761 H GLY 29 H GLY 29 6.297 19.633 26.615
762 HA2 GLY 29 HA2 GLY 29 7.936 21.225 26.941
763 HA3 GLY 29 HA3 GLY 29 7.805 21.028 28.694
764 H ALA 30 H ALA 30 8.347 18.178 26.763
765 HA ALA 30 HA ALA 30 11.290 18.153 27.124
766 HB1 ALA 30 HB1 ALA 30 11.114 15.889 28.136
767 HB2 ALA 30 HB2 ALA 30 10.208 17.067 29.107
768 HB3 ALA 30 HB3 ALA 30 9.344 15.964 28.019
769 H VAL 31 H VAL 31 12.147 16.066 25.997
770 HA VAL 31 HA VAL 31 10.446 15.277 23.647
771 HB VAL 31 HB VAL 31 13.461 15.556 23.692
772 HG11 VAL 31 HG11 VAL 31 12.976 13.514 22.446
773 HG12 VAL 31 HG12 VAL 31 11.640 14.292 21.581
774 HG13 VAL 31 HG13 VAL 31 13.307 14.788 21.281
775 HG21 VAL 31 HG21 VAL 31 11.337 16.781 21.881
776 HG22 VAL 31 HG22 VAL 31 12.108 17.613 23.237
777 HG23 VAL 31 HG23 VAL 31 13.085 17.126 21.859
778 H ARG 32 H ARG 32 10.082 13.225 23.294
779 HA ARG 32 HA ARG 32 11.446 11.095 24.924
780 HB2 ARG 32 HB2 ARG 32 8.593 11.198 23.856
781 HB3 ARG 32 HB3 ARG 32 9.353 9.762 24.547
782 HG2 ARG 32 HG2 ARG 32 9.584 10.843 26.718
783 HG3 ARG 32 HG3 ARG 32 9.057 12.384 26.054
784 HD2 ARG 32 HD2 ARG 32 7.195 11.478 27.232
785 HD3 ARG 32 HD3 ARG 32 6.832 11.374 25.501
786 HE ARG 32 HE ARG 32 7.991 8.894 26.262
787 HH11 ARG 32 HH11 ARG 32 4.979 10.601 27.045
788 HH12 ARG 32 HH12 ARG 32 4.238 9.107 27.579
789 HH21 ARG 32 HH21 ARG 32 7.005 7.181 26.785
790 HH22 ARG 32 HH22 ARG 32 5.344 7.155 27.397
791 H VAL 33 H VAL 33 12.196 9.357 23.845
792 HA VAL 33 HA VAL 33 11.747 9.036 20.942
793 HB VAL 33 HB VAL 33 13.508 10.267 20.436
794 HG11 VAL 33 HG11 VAL 33 15.536 10.695 21.750
795 HG12 VAL 33 HG12 VAL 33 14.051 11.241 22.514
796 HG13 VAL 33 HG13 VAL 33 14.833 9.750 23.085
797 HG21 VAL 33 HG21 VAL 33 15.558 9.062 20.068
798 HG22 VAL 33 HG22 VAL 33 15.081 7.808 21.217
799 HG23 VAL 33 HG23 VAL 33 14.166 8.049 19.698
800 H THR 34 H THR 34 11.897 7.003 20.192
801 HA THR 34 HA THR 34 12.685 4.872 22.116
802 HB THR 34 HB THR 34 10.232 4.623 20.358
803 HG1 THR 34 HG1 THR 34 9.851 6.314 21.775
804 HG21 THR 34 HG21 THR 34 11.200 2.523 21.291
805 HG22 THR 34 HG22 THR 34 11.105 3.228 22.929
806 HG23 THR 34 HG23 THR 34 9.624 2.888 22.005
807 H THR 35 H THR 35 13.824 3.212 21.286
808 HA THR 35 HA THR 35 14.636 3.251 18.457
809 HB THR 35 HB THR 35 16.204 1.563 19.022
810 HG1 THR 35 HG1 THR 35 16.213 0.736 21.185
811 HG21 THR 35 HG21 THR 35 16.139 3.430 21.429
812 HG22 THR 35 HG22 THR 35 17.542 2.581 20.749
813 HG23 THR 35 HG23 THR 35 16.750 3.872 19.820
814 H LEU 36 H LEU 36 14.666 1.203 17.206
815 HA LEU 36 HA LEU 36 12.098 -0.112 17.133
816 HB2 LEU 36 HB2 LEU 36 13.052 -1.444 15.322
817 HB3 LEU 36 HB3 LEU 36 13.313 0.274 15.146
818 HG LEU 36 HG LEU 36 15.695 -0.275 16.249
819 HD11 LEU 36 HD11 LEU 36 14.928 -2.890 14.895
820 HD12 LEU 36 HD12 LEU 36 16.568 -2.439 15.405
821 HD13 LEU 36 HD13 LEU 36 15.305 -2.686 16.613
822 HD21 LEU 36 HD21 LEU 36 16.567 -0.475 13.952
823 HD22 LEU 36 HD22 LEU 36 14.918 -0.877 13.375
824 HD23 LEU 36 HD23 LEU 36 15.274 0.735 14.051
825 H PHE 37 H PHE 37 14.688 -0.687 19.236
826 HA PHE 37 HA PHE 37 13.956 -3.501 19.770
827 HB2 PHE 37 HB2 PHE 37 15.898 -1.693 21.243
828 HB3 PHE 37 HB3 PHE 37 15.732 -3.433 21.418
829 HD1 PHE 37 HD1 PHE 37 16.216 -4.945 19.386
830 HD2 PHE 37 HD2 PHE 37 17.419 -0.812 19.609
831 HE1 PHE 37 HE1 PHE 37 17.908 -5.344 17.602
832 HE2 PHE 37 HE2 PHE 37 19.094 -1.199 17.832
833 HZ PHE 37 HZ PHE 37 19.340 -3.467 16.814
834 H ASP 38 H ASP 38 12.384 -0.735 20.304
835 HA ASP 38 HA ASP 38 10.902 0.113 21.708
836 HB2 ASP 38 HB2 ASP 38 10.719 -2.575 23.096
837 HB3 ASP 38 HB3 ASP 38 9.558 -1.256 23.150
838 H GLU 39 H GLU 39 13.845 0.096 22.471
839 HA GLU 39 HA GLU 39 13.733 0.592 25.381
840 HB2 GLU 39 HB2 GLU 39 15.763 -0.406 24.306
841 HB3 GLU 39 HB3 GLU 39 15.987 1.095 23.412
842 HG2 GLU 39 HG2 GLU 39 17.453 1.074 25.332
843 HG3 GLU 39 HG3 GLU 39 16.270 2.353 25.511
844 H GLU 40 H GLU 40 13.203 2.525 26.260
845 HA GLU 40 HA GLU 40 12.843 4.842 24.414
846 HB2 GLU 40 HB2 GLU 40 10.777 3.758 25.307
847 HB3 GLU 40 HB3 GLU 40 11.285 4.219 26.936
848 HG2 GLU 40 HG2 GLU 40 11.285 6.599 26.244
849 HG3 GLU 40 HG3 GLU 40 10.787 6.142 24.620
850 H HIS 41 H HIS 41 13.548 6.790 24.851
851 HA HIS 41 HA HIS 41 15.051 7.382 27.364
852 HB2 HIS 41 HB2 HIS 41 15.770 8.378 24.592
853 HB3 HIS 41 HB3 HIS 41 16.710 8.520 26.071
854 HD2 HIS 41 HD2 HIS 41 16.035 6.247 23.130
855 HE1 HIS 41 HE1 HIS 41 18.690 4.038 25.635
856 HE2 HIS 41 HE2 HIS 41 17.562 4.110 23.344
857 H ALA 42 H ALA 42 14.998 9.600 28.036
858 HA ALA 42 HA ALA 42 13.163 11.414 26.622
859 HB1 ALA 42 HB1 ALA 42 11.824 11.837 28.632
860 HB2 ALA 42 HB2 ALA 42 11.693 10.138 28.145
861 HB3 ALA 42 HB3 ALA 42 12.725 10.599 29.527
862 H PHE 43 H PHE 43 13.454 13.536 26.970
863 HA PHE 43 HA PHE 43 15.791 14.451 28.611
864 HB2 PHE 43 HB2 PHE 43 15.276 15.008 25.677
865 HB3 PHE 43 HB3 PHE 43 16.574 15.689 26.660
866 HD1 PHE 43 HD1 PHE 43 18.327 14.133 27.653
867 HD2 PHE 43 HD2 PHE 43 15.498 12.846 24.659
868 HE1 PHE 43 HE1 PHE 43 19.727 12.134 27.194
869 HE2 PHE 43 HE2 PHE 43 16.914 10.848 24.192
870 HZ PHE 43 HZ PHE 43 19.019 10.486 25.486
871 HA PRO 44 HA PRO 44 12.347 17.300 29.526
872 HB2 PRO 44 HB2 PRO 44 14.233 17.928 31.773
873 HB3 PRO 44 HB3 PRO 44 12.444 17.765 31.803
874 HG2 PRO 44 HG2 PRO 44 14.006 15.740 32.685
875 HG3 PRO 44 HG3 PRO 44 12.615 15.365 31.618
876 HD2 PRO 44 HD2 PRO 44 15.541 15.656 30.849
877 HD3 PRO 44 HD3 PRO 44 14.365 14.378 30.410
878 H GLY 45 H GLY 45 12.034 19.481 29.235
879 HA2 GLY 45 HA2 GLY 45 12.472 21.707 28.857
880 HA3 GLY 45 HA3 GLY 45 14.183 21.440 29.198
881 H LEU 46 H LEU 46 13.512 19.190 26.850
882 HA LEU 46 HA LEU 46 14.536 20.946 24.714
883 HB2 LEU 46 HB2 LEU 46 14.213 17.936 24.730
884 HB3 LEU 46 HB3 LEU 46 14.989 18.898 23.484
885 HG LEU 46 HG LEU 46 15.978 18.367 26.308
886 HD11 LEU 46 HD11 LEU 46 16.359 16.705 24.432
887 HD12 LEU 46 HD12 LEU 46 17.279 17.962 23.583
888 HD13 LEU 46 HD13 LEU 46 17.848 17.351 25.147
889 HD21 LEU 46 HD21 LEU 46 16.529 20.723 25.873
890 HD22 LEU 46 HD22 LEU 46 17.981 19.722 25.730
891 HD23 LEU 46 HD23 LEU 46 17.168 20.297 24.268
892 H ALA 47 H ALA 47 13.825 20.798 22.587
893 HA ALA 47 HA ALA 47 11.250 19.560 21.913
894 HB1 ALA 47 HB1 ALA 47 10.639 21.905 22.374
895 HB2 ALA 47 HB2 ALA 47 11.899 22.467 21.249
896 HB3 ALA 47 HB3 ALA 47 10.504 21.555 20.644
897 H ILE 48 H ILE 48 11.068 19.274 19.497
898 HA ILE 48 HA ILE 48 13.640 18.489 18.347
899 HB ILE 48 HB ILE 48 10.866 18.481 17.135
900 HG12 ILE 48 HG12 ILE 48 12.406 16.032 18.076
901 HG13 ILE 48 HG13 ILE 48 11.330 16.906 19.165
902 HG21 ILE 48 HG21 ILE 48 11.925 16.899 15.442
903 HG22 ILE 48 HG22 ILE 48 12.552 18.540 15.347
904 HG23 ILE 48 HG23 ILE 48 13.503 17.273 16.160
905 HD11 ILE 48 HD11 ILE 48 9.429 16.578 17.594
906 HD12 ILE 48 HD12 ILE 48 10.485 15.588 16.558
907 HD13 ILE 48 HD13 ILE 48 10.110 15.055 18.207
908 H GLY 49 H GLY 49 14.985 19.807 17.295
909 HA2 GLY 49 HA2 GLY 49 14.196 22.565 16.595
910 HA3 GLY 49 HA3 GLY 49 15.822 21.862 16.581
911 H ARG 50 H ARG 50 15.524 19.689 14.913
912 HA ARG 50 HA ARG 50 14.124 20.369 12.464
913 HB2 ARG 50 HB2 ARG 50 16.019 20.568 10.963
914 HB3 ARG 50 HB3 ARG 50 16.066 21.843 12.175
915 HG2 ARG 50 HG2 ARG 50 17.837 20.638 13.397
916 HG3 ARG 50 HG3 ARG 50 17.765 19.326 12.196
917 HD2 ARG 50 HD2 ARG 50 18.260 21.168 10.447
918 HD3 ARG 50 HD3 ARG 50 18.666 22.202 11.816
919 HE ARG 50 HE ARG 50 20.431 20.591 12.441
920 HH11 ARG 50 HH11 ARG 50 19.364 20.379 9.068
921 HH12 ARG 50 HH12 ARG 50 20.545 19.129 8.730
922 HH21 ARG 50 HH21 ARG 50 22.070 19.230 11.787
923 HH22 ARG 50 HH22 ARG 50 22.135 18.700 10.126
924 H VAL 51 H VAL 51 14.155 18.766 10.855
925 HA VAL 51 HA VAL 51 15.459 16.179 11.565
926 HB VAL 51 HB VAL 51 12.699 16.373 10.347
927 HG11 VAL 51 HG11 VAL 51 12.727 13.893 10.826
928 HG12 VAL 51 HG12 VAL 51 13.850 14.417 9.569
929 HG13 VAL 51 HG13 VAL 51 14.460 14.044 11.187
930 HG21 VAL 51 HG21 VAL 51 12.521 16.998 12.700
931 HG22 VAL 51 HG22 VAL 51 11.895 15.370 12.458
932 HG23 VAL 51 HG23 VAL 51 13.513 15.597 13.173
933 H ASP 52 H ASP 52 16.748 15.486 10.036
934 HA ASP 52 HA ASP 52 16.748 16.850 7.366
935 HB2 ASP 52 HB2 ASP 52 18.295 17.797 9.058
936 HB3 ASP 52 HB3 ASP 52 19.074 16.222 9.217
937 H LEU 53 H LEU 53 15.722 15.116 6.402
938 HA LEU 53 HA LEU 53 16.363 12.374 6.831
939 HB2 LEU 53 HB2 LEU 53 14.843 13.695 4.551
940 HB3 LEU 53 HB3 LEU 53 14.817 11.984 4.960
941 HG LEU 53 HG LEU 53 12.809 12.849 5.647
942 HD11 LEU 53 HD11 LEU 53 12.708 12.421 8.036
943 HD12 LEU 53 HD12 LEU 53 13.778 11.273 7.231
944 HD13 LEU 53 HD13 LEU 53 14.465 12.618 8.173
945 HD21 LEU 53 HD21 LEU 53 13.357 15.258 5.718
946 HD22 LEU 53 HD22 LEU 53 12.347 14.704 7.066
947 HD23 LEU 53 HD23 LEU 53 14.064 15.023 7.337
948 H ARG 54 H ARG 54 17.832 14.711 4.789
949 HA ARG 54 HA ARG 54 19.175 13.155 2.803
950 HB2 ARG 54 HB2 ARG 54 20.025 15.576 4.408
951 HB3 ARG 54 HB3 ARG 54 20.900 14.993 2.999
952 HG2 ARG 54 HG2 ARG 54 19.194 15.590 1.495
953 HG3 ARG 54 HG3 ARG 54 17.948 15.676 2.731
954 HD2 ARG 54 HD2 ARG 54 18.595 17.915 1.934
955 HD3 ARG 54 HD3 ARG 54 18.872 17.706 3.658
956 HE ARG 54 HE ARG 54 20.930 17.874 1.496
957 HH11 ARG 54 HH11 ARG 54 20.351 17.751 4.993
958 HH12 ARG 54 HH12 ARG 54 21.939 18.363 5.325
959 HH21 ARG 54 HH21 ARG 54 22.926 18.608 2.044
960 HH22 ARG 54 HH22 ARG 54 23.344 18.837 3.724
961 H SER 55 H SER 55 19.748 13.430 6.251
962 HA SER 55 HA SER 55 21.907 11.358 6.094
963 HB2 SER 55 HB2 SER 55 21.898 13.784 7.923
964 HB3 SER 55 HB3 SER 55 23.117 12.503 7.879
965 HG SER 55 HG SER 55 23.780 14.310 6.673
966 H GLY 56 H GLY 56 18.852 11.758 7.132
967 HA2 GLY 56 HA2 GLY 56 17.506 10.638 8.608
968 HA3 GLY 56 HA3 GLY 56 18.868 9.567 8.991
969 H VAL 57 H VAL 57 19.264 13.013 9.527
970 HA VAL 57 HA VAL 57 19.732 12.450 12.389
971 HB VAL 57 HB VAL 57 20.338 14.872 10.665
972 HG11 VAL 57 HG11 VAL 57 20.943 14.439 13.627
973 HG12 VAL 57 HG12 VAL 57 21.652 15.703 12.603
974 HG13 VAL 57 HG13 VAL 57 19.924 15.720 12.936
975 HG21 VAL 57 HG21 VAL 57 21.780 12.875 10.317
976 HG22 VAL 57 HG22 VAL 57 22.670 14.193 11.074
977 HG23 VAL 57 HG23 VAL 57 22.120 12.817 12.064
978 H ILE 58 H ILE 58 18.504 13.030 14.011
979 HA ILE 58 HA ILE 58 16.359 15.106 13.695
980 HB ILE 58 HB ILE 58 16.482 12.615 15.419
981 HG12 ILE 58 HG12 ILE 58 14.402 13.476 13.368
982 HG13 ILE 58 HG13 ILE 58 15.745 12.372 13.026
983 HG21 ILE 58 HG21 ILE 58 14.280 13.352 16.365
984 HG22 ILE 58 HG22 ILE 58 15.584 14.435 16.812
985 HG23 ILE 58 HG23 ILE 58 14.458 14.911 15.522
986 HD11 ILE 58 HD11 ILE 58 13.860 11.012 13.400
987 HD12 ILE 58 HD12 ILE 58 14.855 10.855 14.850
988 HD13 ILE 58 HD13 ILE 58 13.393 11.880 14.872
989 H SER 59 H SER 59 17.132 16.967 14.505
990 HA SER 59 HA SER 59 19.168 16.916 16.696
991 HB2 SER 59 HB2 SER 59 19.717 18.123 14.597
992 HB3 SER 59 HB3 SER 59 18.322 19.177 14.891
993 HG SER 59 HG SER 59 20.314 20.052 15.669
994 H LEU 60 H LEU 60 18.654 17.521 18.725
995 HA LEU 60 HA LEU 60 16.032 18.883 19.223
996 HB2 LEU 60 HB2 LEU 60 17.669 17.395 21.248
997 HB3 LEU 60 HB3 LEU 60 15.995 17.904 21.354
998 HG LEU 60 HG LEU 60 17.093 15.659 19.608
999 HD11 LEU 60 HD11 LEU 60 15.730 14.239 21.138
1000 HD12 LEU 60 HD12 LEU 60 17.043 15.082 21.964
1001 HD13 LEU 60 HD13 LEU 60 15.388 15.686 22.119
1002 HD21 LEU 60 HD21 LEU 60 15.188 16.651 18.448
1003 HD22 LEU 60 HD22 LEU 60 14.719 15.109 19.158
1004 HD23 LEU 60 HD23 LEU 60 14.232 16.637 19.937
1005 H ILE 61 H ILE 61 15.892 20.613 20.583
1006 HA ILE 61 HA ILE 61 18.330 21.908 21.677
1007 HB ILE 61 HB ILE 61 17.478 24.132 20.758
1008 HG12 ILE 61 HG12 ILE 61 16.404 24.043 18.501
1009 HG13 ILE 61 HG13 ILE 61 15.996 22.356 18.770
1010 HG21 ILE 61 HG21 ILE 61 18.754 23.918 18.715
1011 HG22 ILE 61 HG22 ILE 61 19.525 22.961 19.992
1012 HG23 ILE 61 HG23 ILE 61 18.573 22.155 18.729
1013 HD11 ILE 61 HD11 ILE 61 15.022 24.669 20.502
1014 HD12 ILE 61 HD12 ILE 61 14.127 23.989 19.136
1015 HD13 ILE 61 HD13 ILE 61 14.449 22.981 20.559
1016 H GLU 62 H GLU 62 17.805 23.698 23.200
1017 HA GLU 62 HA GLU 62 15.695 22.923 25.033
1018 HB2 GLU 62 HB2 GLU 62 17.393 25.442 24.895
1019 HB3 GLU 62 HB3 GLU 62 16.242 25.065 26.183
1020 HG2 GLU 62 HG2 GLU 62 17.511 22.970 26.688
1021 HG3 GLU 62 HG3 GLU 62 18.675 23.383 25.428
1022 H GLU 63 H GLU 63 13.652 23.620 25.279
1023 HA GLU 63 HA GLU 63 12.381 24.929 23.043
1024 HB2 GLU 63 HB2 GLU 63 10.342 24.360 24.076
1025 HB3 GLU 63 HB3 GLU 63 11.475 23.051 24.391
1026 HG2 GLU 63 HG2 GLU 63 10.472 23.230 26.433
1027 HG3 GLU 63 HG3 GLU 63 11.913 24.217 26.679
1028 H GLN 64 H GLN 64 13.956 26.317 25.636
1029 HA GLN 64 HA GLN 64 12.330 28.710 25.912
1030 HB2 GLN 64 HB2 GLN 64 15.071 27.871 26.918
1031 HB3 GLN 64 HB3 GLN 64 14.404 29.458 27.295
1032 HG2 GLN 64 HG2 GLN 64 12.962 26.877 28.042
1033 HG3 GLN 64 HG3 GLN 64 14.122 27.680 29.087
1034 HE21 GLN 64 HE21 GLN 64 10.818 27.544 28.328
1035 HE22 GLN 64 HE22 GLN 64 10.362 29.057 29.116
1036 H ASN 65 H ASN 65 13.896 27.898 23.406
1037 HA ASN 65 HA ASN 65 15.300 30.423 22.710
1038 HB2 ASN 65 HB2 ASN 65 14.991 27.764 21.268
1039 HB3 ASN 65 HB3 ASN 65 15.709 29.177 20.511
1040 HD21 ASN 65 HD21 ASN 65 16.349 26.556 22.644
1041 HD22 ASN 65 HD22 ASN 65 17.997 27.066 23.038
1042 H ARG 66 H ARG 66 12.562 30.743 23.289
1043 HA ARG 66 HA ARG 66 11.000 31.054 20.819
1044 HB2 ARG 66 HB2 ARG 66 10.431 31.821 23.716
1045 HB3 ARG 66 HB3 ARG 66 9.280 31.987 22.377
1046 HG2 ARG 66 HG2 ARG 66 9.265 29.572 21.998
1047 HG3 ARG 66 HG3 ARG 66 10.561 29.339 23.191
1048 HD2 ARG 66 HD2 ARG 66 9.079 30.213 24.975
1049 HD3 ARG 66 HD3 ARG 66 7.759 30.379 23.808
1050 HE ARG 66 HE ARG 66 8.881 27.883 24.957
1051 HH11 ARG 66 HH11 ARG 66 6.747 29.101 22.417
1052 HH12 ARG 66 HH12 ARG 66 5.886 27.588 22.367
1053 HH21 ARG 66 HH21 ARG 66 7.759 26.041 24.754
1054 HH22 ARG 66 HH22 ARG 66 6.417 25.925 23.609