Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
565680 | 2lxw RC | 18700 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 21.603 -17.307 -1.351
2 H2 GLY 1 H2 GLY 1 20.060 -17.847 -1.407
3 H3 GLY 1 H3 GLY 1 21.276 -18.880 -1.041
4 HA2 GLY 1 HA2 GLY 1 20.155 -18.385 0.974
5 HA3 GLY 1 HA3 GLY 1 21.756 -17.619 0.991
6 H SER 2 H SER 2 19.618 -16.807 2.600
7 HA SER 2 HA SER 2 19.096 -14.020 1.642
8 HB2 SER 2 HB2 SER 2 17.138 -15.812 3.127
9 HB3 SER 2 HB3 SER 2 16.872 -14.117 2.691
10 HG SER 2 HG SER 2 16.974 -14.691 0.502
11 H GLU 3 H GLU 3 21.222 -15.073 3.301
12 HA GLU 3 HA GLU 3 20.898 -14.295 6.060
13 HB2 GLU 3 HB2 GLU 3 23.275 -14.594 6.193
14 HB3 GLU 3 HB3 GLU 3 22.608 -15.878 5.193
15 HG2 GLU 3 HG2 GLU 3 23.278 -14.490 3.144
16 HG3 GLU 3 HG3 GLU 3 24.134 -13.413 4.248
17 H PHE 4 H PHE 4 22.523 -12.620 6.956
18 HA PHE 4 HA PHE 4 22.512 -10.048 5.445
19 HB2 PHE 4 HB2 PHE 4 21.737 -10.400 8.363
20 HB3 PHE 4 HB3 PHE 4 21.843 -8.876 7.497
21 HD1 PHE 4 HD1 PHE 4 20.375 -8.852 5.183
22 HD2 PHE 4 HD2 PHE 4 19.558 -11.210 8.704
23 HE1 PHE 4 HE1 PHE 4 17.981 -8.989 4.539
24 HE2 PHE 4 HE2 PHE 4 17.163 -11.336 8.059
25 HZ PHE 4 HZ PHE 4 16.372 -10.229 5.975
26 H THR 5 H THR 5 23.865 -8.406 6.959
27 HA THR 5 HA THR 5 25.979 -7.747 7.454
28 HB THR 5 HB THR 5 26.448 -10.294 9.005
29 HG1 THR 5 HG1 THR 5 25.208 -9.425 10.652
30 HG21 THR 5 HG21 THR 5 27.464 -8.773 10.619
31 HG22 THR 5 HG22 THR 5 26.925 -7.358 9.695
32 HG23 THR 5 HG23 THR 5 28.169 -8.433 9.040
33 H SER 6 H SER 6 25.810 -8.832 4.964
34 HA SER 6 HA SER 6 28.429 -10.206 4.502
35 HB2 SER 6 HB2 SER 6 27.321 -11.480 2.718
36 HB3 SER 6 HB3 SER 6 26.595 -11.790 4.298
37 HG SER 6 HG SER 6 24.770 -10.979 3.615
38 H SER 7 H SER 7 27.391 -7.287 4.246
39 HA SER 7 HA SER 7 28.165 -6.744 1.415
40 HB2 SER 7 HB2 SER 7 26.709 -4.722 1.670
41 HB3 SER 7 HB3 SER 7 25.839 -6.257 1.802
42 HG SER 7 HG SER 7 25.230 -4.764 3.442
43 HA PRO 8 HA PRO 8 31.482 -4.227 2.929
44 HB2 PRO 8 HB2 PRO 8 31.700 -2.222 1.067
45 HB3 PRO 8 HB3 PRO 8 32.155 -3.923 0.754
46 HG2 PRO 8 HG2 PRO 8 29.556 -2.532 0.044
47 HG3 PRO 8 HG3 PRO 8 30.577 -3.574 -0.997
48 HD2 PRO 8 HD2 PRO 8 28.384 -4.536 0.285
49 HD3 PRO 8 HD3 PRO 8 29.854 -5.535 0.099
50 H ARG 9 H ARG 9 31.567 -2.877 4.582
51 HA ARG 9 HA ARG 9 30.153 -0.320 4.708
52 HB2 ARG 9 HB2 ARG 9 28.632 -2.359 5.555
53 HB3 ARG 9 HB3 ARG 9 29.600 -2.214 7.020
54 HG2 ARG 9 HG2 ARG 9 28.845 0.111 7.309
55 HG3 ARG 9 HG3 ARG 9 28.096 0.097 5.701
56 HD2 ARG 9 HD2 ARG 9 26.583 -1.758 6.489
57 HD3 ARG 9 HD3 ARG 9 27.219 -1.544 8.118
58 HE ARG 9 HE ARG 9 25.410 0.236 6.602
59 HH11 ARG 9 HH11 ARG 9 27.358 0.025 9.508
60 HH12 ARG 9 HH12 ARG 9 26.564 1.392 10.242
61 HH21 ARG 9 HH21 ARG 9 24.446 1.955 7.589
62 HH22 ARG 9 HH22 ARG 9 24.948 2.451 9.177
63 H GLY 10 H GLY 10 30.767 0.864 6.775
64 HA2 GLY 10 HA2 GLY 10 33.581 0.952 7.111
65 HA3 GLY 10 HA3 GLY 10 32.404 1.732 8.164
66 H ASP 11 H ASP 11 34.887 0.613 8.988
67 HA ASP 11 HA ASP 11 34.116 -1.773 10.634
68 HB2 ASP 11 HB2 ASP 11 36.808 -0.806 9.606
69 HB3 ASP 11 HB3 ASP 11 36.619 -2.054 10.833
70 H LYS 12 H LYS 12 34.078 -1.634 12.751
71 HA LYS 12 HA LYS 12 35.575 0.331 14.322
72 HB2 LYS 12 HB2 LYS 12 33.261 1.333 13.457
73 HB3 LYS 12 HB3 LYS 12 32.563 0.314 14.717
74 HG2 LYS 12 HG2 LYS 12 34.227 1.496 16.323
75 HG3 LYS 12 HG3 LYS 12 34.564 2.605 15.005
76 HD2 LYS 12 HD2 LYS 12 31.797 2.147 16.239
77 HD3 LYS 12 HD3 LYS 12 32.937 3.382 16.742
78 HE2 LYS 12 HE2 LYS 12 31.490 4.559 15.393
79 HE3 LYS 12 HE3 LYS 12 32.900 4.303 14.369
80 HZ1 LYS 12 HZ1 LYS 12 30.779 3.877 13.222
81 HZ2 LYS 12 HZ2 LYS 12 30.396 2.687 14.265
82 HZ3 LYS 12 HZ3 LYS 12 31.673 2.519 13.249
83 H ALA 13 H ALA 13 35.204 -0.075 16.685
84 HA ALA 13 HA ALA 13 34.429 -2.895 17.319
85 HB1 ALA 13 HB1 ALA 13 36.875 -2.544 17.208
86 HB2 ALA 13 HB2 ALA 13 36.747 -1.265 18.437
87 HB3 ALA 13 HB3 ALA 13 36.340 -2.946 18.847
88 H ALA 14 H ALA 14 32.924 -0.253 17.566
89 HA ALA 14 HA ALA 14 32.061 -0.545 20.410
90 HB1 ALA 14 HB1 ALA 14 32.502 2.068 18.901
91 HB2 ALA 14 HB2 ALA 14 31.933 1.898 20.574
92 HB3 ALA 14 HB3 ALA 14 33.579 1.402 20.150
93 H TYR 15 H TYR 15 30.958 -1.304 17.537
94 HA TYR 15 HA TYR 15 28.493 0.184 17.270
95 HB2 TYR 15 HB2 TYR 15 27.951 -1.405 15.544
96 HB3 TYR 15 HB3 TYR 15 29.604 -0.863 15.369
97 HD1 TYR 15 HD2 TYR 15 27.419 -3.731 16.203
98 HD2 TYR 15 HD1 TYR 15 31.493 -2.421 15.622
99 HE1 TYR 15 HE2 TYR 15 28.172 -6.104 16.072
100 HE2 TYR 15 HE1 TYR 15 32.241 -4.785 15.516
101 HH TYR 15 HH TYR 15 31.610 -6.992 15.573
102 H ASP 16 H ASP 16 29.360 -2.115 19.587
103 HA ASP 16 HA ASP 16 26.714 -3.331 19.950
104 HB2 ASP 16 HB2 ASP 16 27.773 -4.574 21.698
105 HB3 ASP 16 HB3 ASP 16 28.821 -4.598 20.285
106 H ILE 17 H ILE 17 28.589 -0.661 21.416
107 HA ILE 17 HA ILE 17 26.615 -0.326 23.587
108 HB ILE 17 HB ILE 17 28.844 0.069 24.176
109 HG12 ILE 17 HG12 ILE 17 26.967 1.542 25.101
110 HG13 ILE 17 HG13 ILE 17 28.637 1.935 25.448
111 HG21 ILE 17 HG21 ILE 17 29.089 2.178 22.006
112 HG22 ILE 17 HG22 ILE 17 30.243 1.928 23.330
113 HG23 ILE 17 HG23 ILE 17 29.977 0.643 22.159
114 HD11 ILE 17 HD11 ILE 17 27.274 3.940 25.008
115 HD12 ILE 17 HD12 ILE 17 28.629 3.798 23.881
116 HD13 ILE 17 HD13 ILE 17 26.983 3.405 23.350
117 H LEU 18 H LEU 18 27.474 1.306 20.530
118 HA LEU 18 HA LEU 18 25.473 3.369 20.691
119 HB2 LEU 18 HB2 LEU 18 26.701 2.020 18.248
120 HB3 LEU 18 HB3 LEU 18 25.789 3.525 18.236
121 HG LEU 18 HG LEU 18 28.497 3.098 19.571
122 HD11 LEU 18 HD11 LEU 18 27.689 4.717 17.122
123 HD12 LEU 18 HD12 LEU 18 28.557 3.163 17.101
124 HD13 LEU 18 HD13 LEU 18 29.321 4.592 17.816
125 HD21 LEU 18 HD21 LEU 18 28.481 5.584 19.841
126 HD22 LEU 18 HD22 LEU 18 27.300 4.755 20.849
127 HD23 LEU 18 HD23 LEU 18 26.766 5.596 19.369
128 H ARG 19 H ARG 19 23.476 3.542 19.658
129 HA ARG 19 HA ARG 19 22.118 1.021 18.760
130 HB2 ARG 19 HB2 ARG 19 21.402 1.829 21.063
131 HB3 ARG 19 HB3 ARG 19 20.889 3.334 20.318
132 HG2 ARG 19 HG2 ARG 19 18.938 1.968 20.645
133 HG3 ARG 19 HG3 ARG 19 19.230 2.062 18.922
134 HD2 ARG 19 HD2 ARG 19 18.594 -0.193 19.511
135 HD3 ARG 19 HD3 ARG 19 20.289 -0.211 19.010
136 HE ARG 19 HE ARG 19 20.003 0.129 21.881
137 HH11 ARG 19 HH11 ARG 19 19.906 -2.397 19.453
138 HH12 ARG 19 HH12 ARG 19 20.377 -3.628 20.592
139 HH21 ARG 19 HH21 ARG 19 20.603 -1.484 23.272
140 HH22 ARG 19 HH22 ARG 19 20.751 -3.119 22.699
141 H ARG 20 H ARG 20 20.790 1.207 17.005
142 HA ARG 20 HA ARG 20 20.721 3.796 15.519
143 HB2 ARG 20 HB2 ARG 20 21.137 2.624 13.439
144 HB3 ARG 20 HB3 ARG 20 22.449 2.343 14.580
145 HG2 ARG 20 HG2 ARG 20 21.534 0.095 15.108
146 HG3 ARG 20 HG3 ARG 20 20.252 0.346 13.903
147 HD2 ARG 20 HD2 ARG 20 21.906 0.542 12.119
148 HD3 ARG 20 HD3 ARG 20 23.235 0.484 13.295
149 HE ARG 20 HE ARG 20 21.679 -1.865 13.630
150 HH11 ARG 20 HH11 ARG 20 23.818 -0.547 11.189
151 HH12 ARG 20 HH12 ARG 20 24.350 -2.126 10.674
152 HH21 ARG 20 HH21 ARG 20 22.410 -3.844 12.932
153 HH22 ARG 20 HH22 ARG 20 23.566 -3.938 11.637
154 H CYS 21 H CYS 21 19.032 4.083 14.049
155 HA CYS 21 HA CYS 21 16.501 2.724 14.877
156 HB2 CYS 21 HB2 CYS 21 16.801 5.050 15.613
157 HB3 CYS 21 HB3 CYS 21 17.041 5.554 13.935
158 H SER 22 H SER 22 15.662 1.455 13.425
159 HA SER 22 HA SER 22 16.615 1.054 10.806
160 HB2 SER 22 HB2 SER 22 15.397 -0.555 12.361
161 HB3 SER 22 HB3 SER 22 13.888 0.215 11.851
162 HG SER 22 HG SER 22 15.787 -1.205 10.253
163 H GLN 23 H GLN 23 14.402 3.480 11.807
164 HA GLN 23 HA GLN 23 13.491 3.959 8.991
165 HB2 GLN 23 HB2 GLN 23 12.129 4.623 11.625
166 HB3 GLN 23 HB3 GLN 23 11.582 5.176 10.038
167 HG2 GLN 23 HG2 GLN 23 11.385 2.786 9.298
168 HG3 GLN 23 HG3 GLN 23 11.773 2.273 10.943
169 HE21 GLN 23 HE21 GLN 23 10.134 2.513 12.603
170 HE22 GLN 23 HE22 GLN 23 8.494 2.984 12.178
171 H CYS 24 H CYS 24 15.719 5.155 11.187
172 HA CYS 24 HA CYS 24 15.541 7.920 10.040
173 HB2 CYS 24 HB2 CYS 24 16.534 7.243 12.812
174 HB3 CYS 24 HB3 CYS 24 16.203 8.828 12.125
175 H GLY 25 H GLY 25 17.710 5.253 10.892
176 HA2 GLY 25 HA2 GLY 25 19.802 4.755 10.126
177 HA3 GLY 25 HA3 GLY 25 19.748 6.178 9.089
178 H ILE 26 H ILE 26 19.297 7.404 12.126
179 HA ILE 26 HA ILE 26 22.070 8.274 12.458
180 HB ILE 26 HB ILE 26 20.185 9.797 12.738
181 HG12 ILE 26 HG12 ILE 26 21.631 9.496 15.396
182 HG13 ILE 26 HG13 ILE 26 22.376 10.136 13.926
183 HG21 ILE 26 HG21 ILE 26 18.675 9.712 14.659
184 HG22 ILE 26 HG22 ILE 26 18.509 8.244 13.710
185 HG23 ILE 26 HG23 ILE 26 19.421 8.205 15.226
186 HD11 ILE 26 HD11 ILE 26 20.033 11.350 15.444
187 HD12 ILE 26 HD12 ILE 26 21.682 11.976 15.313
188 HD13 ILE 26 HD13 ILE 26 20.640 11.943 13.877
189 H LEU 27 H LEU 27 23.290 8.038 14.443
190 HA LEU 27 HA LEU 27 22.708 5.579 16.033
191 HB2 LEU 27 HB2 LEU 27 25.400 6.573 14.997
192 HB3 LEU 27 HB3 LEU 27 25.195 5.395 16.282
193 HG LEU 27 HG LEU 27 23.829 4.004 14.588
194 HD11 LEU 27 HD11 LEU 27 25.396 5.774 12.658
195 HD12 LEU 27 HD12 LEU 27 23.631 5.614 12.737
196 HD13 LEU 27 HD13 LEU 27 24.602 4.241 12.231
197 HD21 LEU 27 HD21 LEU 27 26.033 3.365 15.460
198 HD22 LEU 27 HD22 LEU 27 26.828 4.390 14.242
199 HD23 LEU 27 HD23 LEU 27 25.898 2.955 13.747
200 H LEU 28 H LEU 28 22.674 5.841 18.173
201 HA LEU 28 HA LEU 28 23.793 8.327 19.422
202 HB2 LEU 28 HB2 LEU 28 21.187 6.912 20.128
203 HB3 LEU 28 HB3 LEU 28 21.893 8.245 21.002
204 HG LEU 28 HG LEU 28 20.143 9.186 19.886
205 HD11 LEU 28 HD11 LEU 28 22.269 10.475 19.602
206 HD12 LEU 28 HD12 LEU 28 21.008 10.829 18.404
207 HD13 LEU 28 HD13 LEU 28 22.388 9.819 17.959
208 HD21 LEU 28 HD21 LEU 28 19.636 7.350 18.323
209 HD22 LEU 28 HD22 LEU 28 20.917 7.928 17.240
210 HD23 LEU 28 HD23 LEU 28 19.517 8.954 17.586
211 HA PRO 29 HA PRO 29 25.729 5.407 22.163
212 HB2 PRO 29 HB2 PRO 29 26.350 6.937 24.353
213 HB3 PRO 29 HB3 PRO 29 27.155 7.088 22.766
214 HG2 PRO 29 HG2 PRO 29 24.907 8.788 23.872
215 HG3 PRO 29 HG3 PRO 29 26.401 9.321 23.049
216 HD2 PRO 29 HD2 PRO 29 24.009 9.082 21.742
217 HD3 PRO 29 HD3 PRO 29 25.565 8.728 20.940
218 H LEU 30 H LEU 30 23.693 7.405 24.354
219 HA LEU 30 HA LEU 30 21.861 5.299 25.036
220 HB2 LEU 30 HB2 LEU 30 23.640 4.254 26.197
221 HB3 LEU 30 HB3 LEU 30 24.229 5.754 26.870
222 HG LEU 30 HG LEU 30 22.236 5.869 28.363
223 HD11 LEU 30 HD11 LEU 30 21.552 3.131 27.196
224 HD12 LEU 30 HD12 LEU 30 20.584 4.609 27.008
225 HD13 LEU 30 HD13 LEU 30 20.780 3.887 28.607
226 HD21 LEU 30 HD21 LEU 30 24.323 4.767 29.092
227 HD22 LEU 30 HD22 LEU 30 23.722 3.214 28.472
228 HD23 LEU 30 HD23 LEU 30 22.895 4.020 29.824
229 HA PRO 31 HA PRO 31 20.701 8.960 27.756
230 HB2 PRO 31 HB2 PRO 31 22.212 11.259 27.972
231 HB3 PRO 31 HB3 PRO 31 22.348 9.834 29.042
232 HG2 PRO 31 HG2 PRO 31 24.065 10.545 26.661
233 HG3 PRO 31 HG3 PRO 31 24.580 9.957 28.269
234 HD2 PRO 31 HD2 PRO 31 24.380 8.279 26.142
235 HD3 PRO 31 HD3 PRO 31 23.938 7.761 27.794
236 H ILE 32 H ILE 32 22.434 10.120 24.820
237 HA ILE 32 HA ILE 32 20.357 12.025 24.105
238 HB ILE 32 HB ILE 32 22.525 10.824 22.337
239 HG12 ILE 32 HG12 ILE 32 23.272 13.446 22.859
240 HG13 ILE 32 HG13 ILE 32 22.547 13.011 24.395
241 HG21 ILE 32 HG21 ILE 32 20.745 11.847 20.982
242 HG22 ILE 32 HG22 ILE 32 20.803 13.317 21.977
243 HG23 ILE 32 HG23 ILE 32 22.181 12.857 20.951
244 HD11 ILE 32 HD11 ILE 32 24.111 11.011 24.465
245 HD12 ILE 32 HD12 ILE 32 24.839 11.597 22.957
246 HD13 ILE 32 HD13 ILE 32 24.943 12.576 24.433
247 H LEU 33 H LEU 33 20.707 8.562 23.610
248 HA LEU 33 HA LEU 33 18.885 8.181 21.464
249 HB2 LEU 33 HB2 LEU 33 20.383 6.419 22.431
250 HB3 LEU 33 HB3 LEU 33 19.379 6.412 23.880
251 HG LEU 33 HG LEU 33 17.428 5.653 22.533
252 HD11 LEU 33 HD11 LEU 33 18.103 6.421 20.281
253 HD12 LEU 33 HD12 LEU 33 17.838 4.676 20.294
254 HD13 LEU 33 HD13 LEU 33 19.492 5.312 20.313
255 HD21 LEU 33 HD21 LEU 33 18.811 4.096 23.802
256 HD22 LEU 33 HD22 LEU 33 19.891 3.892 22.408
257 HD23 LEU 33 HD23 LEU 33 18.190 3.355 22.326
258 H ASN 34 H ASN 34 18.230 8.916 24.885
259 HA ASN 34 HA ASN 34 15.466 8.269 24.962
260 HB2 ASN 34 HB2 ASN 34 16.999 10.523 26.331
261 HB3 ASN 34 HB3 ASN 34 15.360 10.040 26.744
262 HD21 ASN 34 HD21 ASN 34 18.170 9.886 28.118
263 HD22 ASN 34 HD22 ASN 34 18.102 8.270 28.815
264 H GLN 35 H GLN 35 17.036 11.282 23.764
265 HA GLN 35 HA GLN 35 14.576 12.661 23.183
266 HB2 GLN 35 HB2 GLN 35 16.798 13.758 23.423
267 HB3 GLN 35 HB3 GLN 35 17.326 13.005 21.909
268 HG2 GLN 35 HG2 GLN 35 15.529 14.212 20.682
269 HG3 GLN 35 HG3 GLN 35 14.958 14.916 22.197
270 HE21 GLN 35 HE21 GLN 35 16.135 16.723 23.088
271 HE22 GLN 35 HE22 GLN 35 17.453 17.470 22.195
272 H HIS 36 H HIS 36 16.663 10.489 21.197
273 HA HIS 36 HA HIS 36 15.064 10.731 18.820
274 HB2 HIS 36 HB2 HIS 36 17.399 9.719 18.956
275 HB3 HIS 36 HB3 HIS 36 16.646 8.250 19.586
276 HD1 HIS 36 HD1 HIS 36 16.921 10.350 16.416
277 HD2 HIS 36 HD2 HIS 36 14.981 6.889 17.797
278 HE1 HIS 36 HE1 HIS 36 15.870 9.290 14.381
279 H GLN 37 H GLN 37 14.967 8.312 21.499
280 HA GLN 37 HA GLN 37 12.865 6.722 20.516
281 HB2 GLN 37 HB2 GLN 37 13.733 7.414 23.343
282 HB3 GLN 37 HB3 GLN 37 12.433 6.276 23.025
283 HG2 GLN 37 HG2 GLN 37 15.240 5.981 21.885
284 HG3 GLN 37 HG3 GLN 37 14.717 5.236 23.391
285 HE21 GLN 37 HE21 GLN 37 15.703 3.843 21.008
286 HE22 GLN 37 HE22 GLN 37 14.375 2.821 20.479
287 H GLU 38 H GLU 38 12.540 9.697 22.573
288 HA GLU 38 HA GLU 38 9.668 9.583 22.604
289 HB2 GLU 38 HB2 GLU 38 11.499 12.000 22.896
290 HB3 GLU 38 HB3 GLU 38 9.766 11.966 23.217
291 HG2 GLU 38 HG2 GLU 38 10.664 9.826 24.754
292 HG3 GLU 38 HG3 GLU 38 12.009 10.953 24.870
293 H LYS 39 H LYS 39 11.859 11.396 20.378
294 HA LYS 39 HA LYS 39 9.682 12.637 18.949
295 HB2 LYS 39 HB2 LYS 39 12.050 13.442 19.206
296 HB3 LYS 39 HB3 LYS 39 12.573 12.239 18.042
297 HG2 LYS 39 HG2 LYS 39 10.401 14.291 17.414
298 HG3 LYS 39 HG3 LYS 39 12.099 14.721 17.329
299 HD2 LYS 39 HD2 LYS 39 10.801 12.548 15.635
300 HD3 LYS 39 HD3 LYS 39 11.148 14.201 15.131
301 HE2 LYS 39 HE2 LYS 39 13.579 13.811 15.633
302 HE3 LYS 39 HE3 LYS 39 13.209 12.117 15.982
303 HZ1 LYS 39 HZ1 LYS 39 12.436 11.876 13.686
304 HZ2 LYS 39 HZ2 LYS 39 13.963 12.442 13.684
305 HZ3 LYS 39 HZ3 LYS 39 12.729 13.455 13.369
306 H CYS 40 H CYS 40 11.683 9.803 18.183
307 HA CYS 40 HA CYS 40 10.546 9.172 15.651
308 HB2 CYS 40 HB2 CYS 40 12.745 8.502 16.852
309 HB3 CYS 40 HB3 CYS 40 11.804 7.223 17.619
310 H ARG 41 H ARG 41 9.736 8.043 18.987
311 HA ARG 41 HA ARG 41 7.471 6.410 18.331
312 HB2 ARG 41 HB2 ARG 41 8.522 6.343 20.516
313 HB3 ARG 41 HB3 ARG 41 8.129 8.046 20.811
314 HG2 ARG 41 HG2 ARG 41 5.750 7.544 20.947
315 HG3 ARG 41 HG3 ARG 41 6.037 5.875 20.426
316 HD2 ARG 41 HD2 ARG 41 5.678 5.936 22.824
317 HD3 ARG 41 HD3 ARG 41 7.341 5.441 22.467
318 HE ARG 41 HE ARG 41 7.137 8.304 22.933
319 HH11 ARG 41 HH11 ARG 41 7.255 5.275 24.686
320 HH12 ARG 41 HH12 ARG 41 7.927 6.014 26.112
321 HH21 ARG 41 HH21 ARG 41 7.979 9.200 24.834
322 HH22 ARG 41 HH22 ARG 41 8.334 8.162 26.170
323 H TRP 42 H TRP 42 7.586 9.931 19.137
324 HA TRP 42 HA TRP 42 4.788 10.333 18.925
325 HB2 TRP 42 HB2 TRP 42 6.634 11.902 19.827
326 HB3 TRP 42 HB3 TRP 42 6.812 12.457 18.169
327 HD1 TRP 42 HD1 TRP 42 4.774 12.820 21.254
328 HE1 TRP 42 HE1 TRP 42 2.801 14.430 20.938
329 HE3 TRP 42 HE3 TRP 42 4.969 13.371 16.150
330 HZ2 TRP 42 HZ2 TRP 42 1.422 15.708 18.759
331 HZ3 TRP 42 HZ3 TRP 42 3.280 14.768 14.985
332 HH2 TRP 42 HH2 TRP 42 1.503 15.932 16.270
333 H LEU 43 H LEU 43 7.303 10.712 16.377
334 HA LEU 43 HA LEU 43 5.509 11.298 14.231
335 HB2 LEU 43 HB2 LEU 43 8.263 10.010 14.358
336 HB3 LEU 43 HB3 LEU 43 7.421 10.232 12.831
337 HG LEU 43 HG LEU 43 8.240 12.485 14.713
338 HD11 LEU 43 HD11 LEU 43 10.108 11.339 13.519
339 HD12 LEU 43 HD12 LEU 43 9.867 13.005 12.939
340 HD13 LEU 43 HD13 LEU 43 9.289 11.630 11.974
341 HD21 LEU 43 HD21 LEU 43 6.199 13.057 13.381
342 HD22 LEU 43 HD22 LEU 43 7.063 12.608 11.905
343 HD23 LEU 43 HD23 LEU 43 7.596 13.983 12.886
344 H ALA 44 H ALA 44 6.794 8.064 15.221
345 HA ALA 44 HA ALA 44 5.375 6.619 13.247
346 HB1 ALA 44 HB1 ALA 44 5.847 4.667 14.681
347 HB2 ALA 44 HB2 ALA 44 7.262 5.728 14.547
348 HB3 ALA 44 HB3 ALA 44 6.274 5.747 16.027
349 H SER 45 H SER 45 4.302 7.604 16.511
350 HA SER 45 HA SER 45 1.746 6.274 16.444
351 HB2 SER 45 HB2 SER 45 2.912 7.084 18.496
352 HB3 SER 45 HB3 SER 45 2.621 8.752 17.982
353 HG SER 45 HG SER 45 0.707 6.755 18.689
354 H SER 46 H SER 46 2.751 9.618 15.583
355 HA SER 46 HA SER 46 0.157 10.585 14.851
356 HB2 SER 46 HB2 SER 46 2.110 11.973 15.451
357 HB3 SER 46 HB3 SER 46 2.917 11.509 13.946
358 HG SER 46 HG SER 46 1.387 12.636 12.787
359 H LYS 47 H LYS 47 2.649 8.913 12.969
360 HA LYS 47 HA LYS 47 1.429 9.258 10.371
361 HB2 LYS 47 HB2 LYS 47 3.878 8.976 10.929
362 HB3 LYS 47 HB3 LYS 47 3.569 7.259 11.207
363 HG2 LYS 47 HG2 LYS 47 2.790 7.073 8.824
364 HG3 LYS 47 HG3 LYS 47 3.079 8.810 8.615
365 HD2 LYS 47 HD2 LYS 47 5.490 8.439 9.214
366 HD3 LYS 47 HD3 LYS 47 5.190 6.699 9.277
367 HE2 LYS 47 HE2 LYS 47 4.772 8.491 6.835
368 HE3 LYS 47 HE3 LYS 47 6.214 7.518 7.133
369 HZ1 LYS 47 HZ1 LYS 47 3.480 6.418 6.757
370 HZ2 LYS 47 HZ2 LYS 47 4.816 5.523 7.060
371 HZ3 LYS 47 HZ3 LYS 47 4.688 6.359 5.666
372 H GLY 48 H GLY 48 -0.684 8.557 11.467
373 HA2 GLY 48 HA2 GLY 48 -1.247 5.629 11.056
374 HA3 GLY 48 HA3 GLY 48 -2.031 6.649 12.260
375 H LYS 49 H LYS 49 -1.661 6.068 8.795
376 HA LYS 49 HA LYS 49 -4.338 7.290 8.246
377 HB2 LYS 49 HB2 LYS 49 -3.558 8.131 6.131
378 HB3 LYS 49 HB3 LYS 49 -2.567 8.748 7.435
379 HG2 LYS 49 HG2 LYS 49 -0.928 8.288 5.904
380 HG3 LYS 49 HG3 LYS 49 -0.915 6.807 6.831
381 HD2 LYS 49 HD2 LYS 49 -0.859 5.908 4.758
382 HD3 LYS 49 HD3 LYS 49 -2.602 5.973 4.892
383 HE2 LYS 49 HE2 LYS 49 -0.830 8.056 3.528
384 HE3 LYS 49 HE3 LYS 49 -1.668 6.744 2.703
385 HZ1 LYS 49 HZ1 LYS 49 -2.935 8.765 2.525
386 HZ2 LYS 49 HZ2 LYS 49 -2.996 8.981 4.134
387 HZ3 LYS 49 HZ3 LYS 49 -3.789 7.722 3.435
388 H GLN 50 H GLN 50 -5.488 6.445 6.447
389 HA GLN 50 HA GLN 50 -6.695 4.741 5.633
390 HB2 GLN 50 HB2 GLN 50 -4.700 4.933 4.071
391 HB3 GLN 50 HB3 GLN 50 -4.038 3.498 4.839
392 HG2 GLN 50 HG2 GLN 50 -5.150 3.008 2.696
393 HG3 GLN 50 HG3 GLN 50 -5.915 2.151 4.013
394 HE21 GLN 50 HE21 GLN 50 -8.051 1.956 3.259
395 HE22 GLN 50 HE22 GLN 50 -9.026 3.341 2.785
396 H VAL 51 H VAL 51 -5.959 4.489 8.464
397 HA VAL 51 HA VAL 51 -5.538 1.698 9.110
398 HB VAL 51 HB VAL 51 -6.077 2.323 11.406
399 HG11 VAL 51 HG11 VAL 51 -4.252 4.388 10.111
400 HG12 VAL 51 HG12 VAL 51 -4.221 3.838 11.796
401 HG13 VAL 51 HG13 VAL 51 -3.798 2.714 10.493
402 HG21 VAL 51 HG21 VAL 51 -6.680 5.127 10.359
403 HG22 VAL 51 HG22 VAL 51 -7.842 4.011 11.109
404 HG23 VAL 51 HG23 VAL 51 -6.507 4.659 12.060
405 H ARG 52 H ARG 52 -6.957 0.128 9.748
406 HA ARG 52 HA ARG 52 -9.811 0.635 10.144
407 HB2 ARG 52 HB2 ARG 52 -9.580 0.505 7.647
408 HB3 ARG 52 HB3 ARG 52 -8.938 -1.131 7.805
409 HG2 ARG 52 HG2 ARG 52 -11.059 -1.938 8.691
410 HG3 ARG 52 HG3 ARG 52 -11.660 -0.286 8.894
411 HD2 ARG 52 HD2 ARG 52 -12.700 -1.262 6.930
412 HD3 ARG 52 HD3 ARG 52 -11.647 0.064 6.464
413 HE ARG 52 HE ARG 52 -10.206 -1.401 5.365
414 HH11 ARG 52 HH11 ARG 52 -12.581 -3.345 7.063
415 HH12 ARG 52 HH12 ARG 52 -12.143 -4.792 6.195
416 HH21 ARG 52 HH21 ARG 52 -9.705 -3.278 4.302
417 HH22 ARG 52 HH22 ARG 52 -10.557 -4.747 4.676
418 H ASN 53 H ASN 53 -10.331 -0.552 11.839
419 HA ASN 53 HA ASN 53 -9.799 -3.401 11.984
420 HB2 ASN 53 HB2 ASN 53 -8.765 -3.206 14.328
421 HB3 ASN 53 HB3 ASN 53 -7.734 -2.913 12.946
422 HD21 ASN 53 HD21 ASN 53 -6.538 -1.044 12.915
423 HD22 ASN 53 HD22 ASN 53 -6.792 0.285 14.036
424 H PHE 54 H PHE 54 -11.481 -4.383 12.826
425 HA PHE 54 HA PHE 54 -13.112 -3.340 15.009
426 HB2 PHE 54 HB2 PHE 54 -14.161 -3.543 12.158
427 HB3 PHE 54 HB3 PHE 54 -15.230 -3.772 13.525
428 HD1 PHE 54 HD1 PHE 54 -15.131 -1.915 15.423
429 HD2 PHE 54 HD2 PHE 54 -14.027 -1.323 11.294
430 HE1 PHE 54 HE1 PHE 54 -15.531 0.522 15.667
431 HE2 PHE 54 HE2 PHE 54 -14.438 1.116 11.541
432 HZ PHE 54 HZ PHE 54 -15.186 2.041 13.726
433 H SER 55 H SER 55 -14.748 -4.907 15.676
434 HA SER 55 HA SER 55 -13.864 -7.734 15.376
435 HB2 SER 55 HB2 SER 55 -15.751 -6.423 17.372
436 HB3 SER 55 HB3 SER 55 -15.245 -8.124 17.375
437 HG SER 55 HG SER 55 -13.927 -6.822 18.779
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 4.072 11.992 -1.461
2 H2 GLY 1 H2 GLY 1 2.971 12.206 -2.656
3 H3 GLY 1 H3 GLY 1 2.975 13.203 -1.356
4 HA2 GLY 1 HA2 GLY 1 3.924 14.320 -3.270
5 HA3 GLY 1 HA3 GLY 1 5.104 14.125 -1.962
6 H SER 2 H SER 2 6.994 13.152 -2.437
7 HA SER 2 HA SER 2 7.247 11.209 -4.657
8 HB2 SER 2 HB2 SER 2 9.189 12.430 -5.580
9 HB3 SER 2 HB3 SER 2 7.683 13.342 -5.732
10 HG SER 2 HG SER 2 9.360 14.679 -4.983
11 H GLU 3 H GLU 3 9.557 10.332 -4.702
12 HA GLU 3 HA GLU 3 10.535 9.845 -1.909
13 HB2 GLU 3 HB2 GLU 3 9.799 7.813 -4.045
14 HB3 GLU 3 HB3 GLU 3 10.735 7.443 -2.589
15 HG2 GLU 3 HG2 GLU 3 8.871 8.156 -1.156
16 HG3 GLU 3 HG3 GLU 3 7.915 8.603 -2.571
17 H PHE 4 H PHE 4 12.368 10.961 -2.037
18 HA PHE 4 HA PHE 4 14.468 10.132 -3.996
19 HB2 PHE 4 HB2 PHE 4 15.188 12.496 -4.028
20 HB3 PHE 4 HB3 PHE 4 13.581 12.253 -4.670
21 HD1 PHE 4 HD1 PHE 4 15.507 13.659 -1.808
22 HD2 PHE 4 HD2 PHE 4 11.616 13.221 -3.621
23 HE1 PHE 4 HE1 PHE 4 14.602 15.402 -0.292
24 HE2 PHE 4 HE2 PHE 4 10.718 14.973 -2.112
25 HZ PHE 4 HZ PHE 4 12.208 16.066 -0.441
26 H THR 5 H THR 5 13.853 9.315 -1.142
27 HA THR 5 HA THR 5 15.652 10.344 0.731
28 HB THR 5 HB THR 5 13.830 8.832 1.277
29 HG1 THR 5 HG1 THR 5 14.975 7.684 2.833
30 HG21 THR 5 HG21 THR 5 14.112 7.123 -0.549
31 HG22 THR 5 HG22 THR 5 13.971 6.428 1.070
32 HG23 THR 5 HG23 THR 5 15.559 6.522 0.287
33 H SER 6 H SER 6 17.724 10.103 1.285
34 HA SER 6 HA SER 6 19.442 7.996 0.275
35 HB2 SER 6 HB2 SER 6 21.121 9.549 -0.742
36 HB3 SER 6 HB3 SER 6 19.638 9.354 -1.679
37 HG SER 6 HG SER 6 18.914 11.352 -0.921
38 H SER 7 H SER 7 21.002 7.563 1.681
39 HA SER 7 HA SER 7 21.998 9.499 3.679
40 HB2 SER 7 HB2 SER 7 20.463 6.953 4.376
41 HB3 SER 7 HB3 SER 7 21.500 7.816 5.520
42 HG SER 7 HG SER 7 19.316 8.448 5.726
43 HA PRO 8 HA PRO 8 25.605 6.902 3.146
44 HB2 PRO 8 HB2 PRO 8 27.058 7.384 5.411
45 HB3 PRO 8 HB3 PRO 8 26.788 8.622 4.149
46 HG2 PRO 8 HG2 PRO 8 25.236 8.237 6.732
47 HG3 PRO 8 HG3 PRO 8 25.955 9.749 6.088
48 HD2 PRO 8 HD2 PRO 8 23.331 9.131 5.715
49 HD3 PRO 8 HD3 PRO 8 24.278 9.956 4.443
50 H ARG 9 H ARG 9 26.713 5.048 3.952
51 HA ARG 9 HA ARG 9 25.115 2.980 5.111
52 HB2 ARG 9 HB2 ARG 9 27.130 1.608 4.913
53 HB3 ARG 9 HB3 ARG 9 26.863 2.579 3.467
54 HG2 ARG 9 HG2 ARG 9 28.569 4.249 4.371
55 HG3 ARG 9 HG3 ARG 9 28.921 3.089 5.663
56 HD2 ARG 9 HD2 ARG 9 29.668 1.435 4.040
57 HD3 ARG 9 HD3 ARG 9 29.099 2.449 2.697
58 HE ARG 9 HE ARG 9 31.051 3.793 4.402
59 HH11 ARG 9 HH11 ARG 9 30.819 1.648 1.640
60 HH12 ARG 9 HH12 ARG 9 32.339 2.189 0.980
61 HH21 ARG 9 HH21 ARG 9 32.972 4.440 3.503
62 HH22 ARG 9 HH22 ARG 9 33.526 3.721 2.020
63 H GLY 10 H GLY 10 26.927 5.370 6.774
64 HA2 GLY 10 HA2 GLY 10 27.191 5.776 9.020
65 HA3 GLY 10 HA3 GLY 10 26.028 4.485 9.334
66 H ASP 11 H ASP 11 29.197 4.096 7.734
67 HA ASP 11 HA ASP 11 29.999 1.849 9.270
68 HB2 ASP 11 HB2 ASP 11 30.878 2.324 7.048
69 HB3 ASP 11 HB3 ASP 11 31.638 3.810 7.624
70 H LYS 12 H LYS 12 30.532 1.721 11.315
71 HA LYS 12 HA LYS 12 32.208 3.746 12.695
72 HB2 LYS 12 HB2 LYS 12 29.691 4.295 12.932
73 HB3 LYS 12 HB3 LYS 12 29.525 2.768 13.781
74 HG2 LYS 12 HG2 LYS 12 29.717 4.281 15.517
75 HG3 LYS 12 HG3 LYS 12 31.359 3.682 15.401
76 HD2 LYS 12 HD2 LYS 12 31.594 6.004 15.657
77 HD3 LYS 12 HD3 LYS 12 31.819 5.779 13.915
78 HE2 LYS 12 HE2 LYS 12 29.426 6.396 13.545
79 HE3 LYS 12 HE3 LYS 12 29.198 6.556 15.290
80 HZ1 LYS 12 HZ1 LYS 12 30.835 8.371 15.267
81 HZ2 LYS 12 HZ2 LYS 12 29.588 8.715 14.275
82 HZ3 LYS 12 HZ3 LYS 12 31.016 8.239 13.648
83 H ALA 13 H ALA 13 33.480 2.848 14.272
84 HA ALA 13 HA ALA 13 33.836 -0.019 14.285
85 HB1 ALA 13 HB1 ALA 13 35.812 0.522 15.634
86 HB2 ALA 13 HB2 ALA 13 35.686 1.622 14.254
87 HB3 ALA 13 HB3 ALA 13 35.221 2.180 15.880
88 H ALA 14 H ALA 14 31.367 1.313 15.789
89 HA ALA 14 HA ALA 14 31.472 -0.487 18.140
90 HB1 ALA 14 HB1 ALA 14 30.787 2.486 18.257
91 HB2 ALA 14 HB2 ALA 14 30.606 1.329 19.592
92 HB3 ALA 14 HB3 ALA 14 32.221 1.711 18.965
93 H TYR 15 H TYR 15 29.634 -1.516 18.476
94 HA TYR 15 HA TYR 15 27.016 -0.480 17.534
95 HB2 TYR 15 HB2 TYR 15 26.510 -2.652 16.446
96 HB3 TYR 15 HB3 TYR 15 27.785 -1.753 15.658
97 HD1 TYR 15 HD1 TYR 15 27.026 -4.758 17.708
98 HD2 TYR 15 HD2 TYR 15 30.070 -2.585 15.551
99 HE1 TYR 15 HE1 TYR 15 28.514 -6.750 17.799
100 HE2 TYR 15 HE2 TYR 15 31.560 -4.581 15.652
101 HH TYR 15 HH TYR 15 30.550 -7.640 17.226
102 H ASP 16 H ASP 16 28.790 -2.125 19.961
103 HA ASP 16 HA ASP 16 26.526 -3.539 21.162
104 HB2 ASP 16 HB2 ASP 16 28.834 -4.371 21.330
105 HB3 ASP 16 HB3 ASP 16 29.332 -2.897 22.157
106 H ILE 17 H ILE 17 28.415 -0.568 21.967
107 HA ILE 17 HA ILE 17 26.504 0.176 24.074
108 HB ILE 17 HB ILE 17 28.809 0.554 24.463
109 HG12 ILE 17 HG12 ILE 17 26.995 2.104 25.370
110 HG13 ILE 17 HG13 ILE 17 28.681 2.541 25.555
111 HG21 ILE 17 HG21 ILE 17 30.188 2.231 23.355
112 HG22 ILE 17 HG22 ILE 17 29.738 0.941 22.243
113 HG23 ILE 17 HG23 ILE 17 28.933 2.524 22.147
114 HD11 ILE 17 HD11 ILE 17 28.529 4.241 23.819
115 HD12 ILE 17 HD12 ILE 17 26.855 3.779 23.452
116 HD13 ILE 17 HD13 ILE 17 27.258 4.481 25.022
117 H LEU 18 H LEU 18 27.405 1.444 20.837
118 HA LEU 18 HA LEU 18 25.406 3.520 20.818
119 HB2 LEU 18 HB2 LEU 18 26.742 2.101 18.472
120 HB3 LEU 18 HB3 LEU 18 25.807 3.588 18.384
121 HG LEU 18 HG LEU 18 28.521 3.214 19.704
122 HD11 LEU 18 HD11 LEU 18 29.248 4.795 17.991
123 HD12 LEU 18 HD12 LEU 18 27.583 4.956 17.387
124 HD13 LEU 18 HD13 LEU 18 28.442 3.409 17.234
125 HD21 LEU 18 HD21 LEU 18 27.376 4.787 21.109
126 HD22 LEU 18 HD22 LEU 18 26.699 5.656 19.702
127 HD23 LEU 18 HD23 LEU 18 28.442 5.711 20.053
128 H ARG 19 H ARG 19 23.475 3.642 19.699
129 HA ARG 19 HA ARG 19 22.142 1.094 18.864
130 HB2 ARG 19 HB2 ARG 19 21.566 2.745 21.162
131 HB3 ARG 19 HB3 ARG 19 20.237 2.947 20.033
132 HG2 ARG 19 HG2 ARG 19 21.278 0.212 20.878
133 HG3 ARG 19 HG3 ARG 19 20.048 1.097 21.788
134 HD2 ARG 19 HD2 ARG 19 18.555 1.148 19.865
135 HD3 ARG 19 HD3 ARG 19 19.757 0.320 18.858
136 HE ARG 19 HE ARG 19 19.443 -1.386 21.005
137 HH11 ARG 19 HH11 ARG 19 17.100 -0.034 18.767
138 HH12 ARG 19 HH12 ARG 19 16.014 -1.383 18.962
139 HH21 ARG 19 HH21 ARG 19 18.039 -3.091 21.155
140 HH22 ARG 19 HH22 ARG 19 16.545 -3.071 20.266
141 H ARG 20 H ARG 20 20.954 1.199 17.072
142 HA ARG 20 HA ARG 20 20.786 3.788 15.608
143 HB2 ARG 20 HB2 ARG 20 20.876 2.538 13.544
144 HB3 ARG 20 HB3 ARG 20 22.313 2.292 14.497
145 HG2 ARG 20 HG2 ARG 20 20.086 0.212 14.546
146 HG3 ARG 20 HG3 ARG 20 21.199 0.338 13.199
147 HD2 ARG 20 HD2 ARG 20 22.388 -1.169 14.327
148 HD3 ARG 20 HD3 ARG 20 23.070 0.265 15.086
149 HE ARG 20 HE ARG 20 20.734 -1.090 16.369
150 HH11 ARG 20 HH11 ARG 20 24.224 -0.751 16.405
151 HH12 ARG 20 HH12 ARG 20 24.365 -1.448 18.005
152 HH21 ARG 20 HH21 ARG 20 21.018 -2.026 18.393
153 HH22 ARG 20 HH22 ARG 20 22.622 -2.127 19.064
154 H CYS 21 H CYS 21 19.064 4.210 14.263
155 HA CYS 21 HA CYS 21 16.459 3.055 15.150
156 HB2 CYS 21 HB2 CYS 21 16.856 5.442 15.587
157 HB3 CYS 21 HB3 CYS 21 17.170 5.709 13.866
158 H SER 22 H SER 22 15.558 1.669 13.824
159 HA SER 22 HA SER 22 16.483 0.973 11.237
160 HB2 SER 22 HB2 SER 22 15.211 -0.433 12.930
161 HB3 SER 22 HB3 SER 22 13.730 0.364 12.369
162 HG SER 22 HG SER 22 14.173 -1.646 11.300
163 H GLN 23 H GLN 23 14.376 3.560 12.084
164 HA GLN 23 HA GLN 23 13.350 3.820 9.280
165 HB2 GLN 23 HB2 GLN 23 12.189 4.799 11.911
166 HB3 GLN 23 HB3 GLN 23 11.540 5.186 10.311
167 HG2 GLN 23 HG2 GLN 23 11.233 2.755 9.855
168 HG3 GLN 23 HG3 GLN 23 11.749 2.384 11.501
169 HE21 GLN 23 HE21 GLN 23 9.103 1.876 10.161
170 HE22 GLN 23 HE22 GLN 23 7.944 2.665 11.223
171 H CYS 24 H CYS 24 15.679 5.174 11.306
172 HA CYS 24 HA CYS 24 15.579 7.800 9.861
173 HB2 CYS 24 HB2 CYS 24 16.530 7.349 12.701
174 HB3 CYS 24 HB3 CYS 24 16.326 8.884 11.866
175 H GLY 25 H GLY 25 17.664 5.147 10.928
176 HA2 GLY 25 HA2 GLY 25 19.738 4.532 10.181
177 HA3 GLY 25 HA3 GLY 25 19.763 5.923 9.100
178 H ILE 26 H ILE 26 19.280 7.385 11.969
179 HA ILE 26 HA ILE 26 22.010 8.190 12.431
180 HB ILE 26 HB ILE 26 20.035 9.618 12.783
181 HG12 ILE 26 HG12 ILE 26 21.608 9.304 15.367
182 HG13 ILE 26 HG13 ILE 26 22.229 10.062 13.898
183 HG21 ILE 26 HG21 ILE 26 19.427 7.886 15.220
184 HG22 ILE 26 HG22 ILE 26 18.595 9.381 14.762
185 HG23 ILE 26 HG23 ILE 26 18.470 7.959 13.739
186 HD11 ILE 26 HD11 ILE 26 19.893 11.037 15.590
187 HD12 ILE 26 HD12 ILE 26 21.487 11.779 15.411
188 HD13 ILE 26 HD13 ILE 26 20.376 11.746 14.028
189 H LEU 27 H LEU 27 23.266 7.888 14.357
190 HA LEU 27 HA LEU 27 22.656 5.488 16.033
191 HB2 LEU 27 HB2 LEU 27 25.370 6.449 15.012
192 HB3 LEU 27 HB3 LEU 27 25.147 5.356 16.365
193 HG LEU 27 HG LEU 27 23.902 3.793 14.765
194 HD11 LEU 27 HD11 LEU 27 24.662 3.922 12.389
195 HD12 LEU 27 HD12 LEU 27 25.360 5.523 12.713
196 HD13 LEU 27 HD13 LEU 27 23.607 5.262 12.811
197 HD21 LEU 27 HD21 LEU 27 26.033 2.817 13.979
198 HD22 LEU 27 HD22 LEU 27 26.138 3.341 15.663
199 HD23 LEU 27 HD23 LEU 27 26.874 4.331 14.382
200 H LEU 28 H LEU 28 22.573 5.895 18.163
201 HA LEU 28 HA LEU 28 23.718 8.439 19.262
202 HB2 LEU 28 HB2 LEU 28 21.119 7.066 20.063
203 HB3 LEU 28 HB3 LEU 28 21.848 8.414 20.894
204 HG LEU 28 HG LEU 28 20.089 9.341 19.772
205 HD11 LEU 28 HD11 LEU 28 22.344 9.896 17.827
206 HD12 LEU 28 HD12 LEU 28 22.213 10.611 19.445
207 HD13 LEU 28 HD13 LEU 28 20.965 10.931 18.226
208 HD21 LEU 28 HD21 LEU 28 19.547 7.478 18.263
209 HD22 LEU 28 HD22 LEU 28 20.847 7.986 17.171
210 HD23 LEU 28 HD23 LEU 28 19.466 9.057 17.465
211 HA PRO 29 HA PRO 29 25.729 5.704 22.118
212 HB2 PRO 29 HB2 PRO 29 26.242 7.329 24.280
213 HB3 PRO 29 HB3 PRO 29 27.095 7.423 22.715
214 HG2 PRO 29 HG2 PRO 29 24.776 9.130 23.665
215 HG3 PRO 29 HG3 PRO 29 26.289 9.651 22.866
216 HD2 PRO 29 HD2 PRO 29 23.968 9.317 21.478
217 HD3 PRO 29 HD3 PRO 29 25.551 8.908 20.763
218 H LEU 30 H LEU 30 23.651 7.662 24.305
219 HA LEU 30 HA LEU 30 21.862 5.508 24.968
220 HB2 LEU 30 HB2 LEU 30 24.416 5.563 26.371
221 HB3 LEU 30 HB3 LEU 30 23.132 5.885 27.519
222 HG LEU 30 HG LEU 30 23.011 3.510 25.617
223 HD11 LEU 30 HD11 LEU 30 24.096 3.622 28.459
224 HD12 LEU 30 HD12 LEU 30 25.043 3.330 26.982
225 HD13 LEU 30 HD13 LEU 30 23.826 2.150 27.495
226 HD21 LEU 30 HD21 LEU 30 20.865 4.198 26.664
227 HD22 LEU 30 HD22 LEU 30 21.624 4.092 28.268
228 HD23 LEU 30 HD23 LEU 30 21.429 2.634 27.270
229 HA PRO 31 HA PRO 31 20.720 9.188 27.760
230 HB2 PRO 31 HB2 PRO 31 22.221 11.500 27.816
231 HB3 PRO 31 HB3 PRO 31 22.458 10.115 28.922
232 HG2 PRO 31 HG2 PRO 31 23.982 10.749 26.381
233 HG3 PRO 31 HG3 PRO 31 24.635 10.278 27.981
234 HD2 PRO 31 HD2 PRO 31 24.340 8.468 25.998
235 HD3 PRO 31 HD3 PRO 31 23.994 8.034 27.693
236 H ILE 32 H ILE 32 22.370 10.159 24.746
237 HA ILE 32 HA ILE 32 20.348 12.087 23.948
238 HB ILE 32 HB ILE 32 22.406 10.719 22.181
239 HG12 ILE 32 HG12 ILE 32 22.736 13.268 23.833
240 HG13 ILE 32 HG13 ILE 32 23.537 11.733 24.158
241 HG21 ILE 32 HG21 ILE 32 20.997 13.421 21.941
242 HG22 ILE 32 HG22 ILE 32 22.189 12.768 20.798
243 HG23 ILE 32 HG23 ILE 32 20.634 11.985 20.965
244 HD11 ILE 32 HD11 ILE 32 24.050 13.536 21.781
245 HD12 ILE 32 HD12 ILE 32 25.135 13.123 23.112
246 HD13 ILE 32 HD13 ILE 32 24.682 11.875 21.934
247 H LEU 33 H LEU 33 20.735 8.593 23.519
248 HA LEU 33 HA LEU 33 18.935 8.171 21.366
249 HB2 LEU 33 HB2 LEU 33 20.467 6.433 22.330
250 HB3 LEU 33 HB3 LEU 33 19.460 6.391 23.775
251 HG LEU 33 HG LEU 33 17.512 5.625 22.365
252 HD11 LEU 33 HD11 LEU 33 18.255 6.426 20.145
253 HD12 LEU 33 HD12 LEU 33 17.973 4.685 20.140
254 HD13 LEU 33 HD13 LEU 33 19.635 5.303 20.202
255 HD21 LEU 33 HD21 LEU 33 20.032 3.946 22.395
256 HD22 LEU 33 HD22 LEU 33 18.391 3.322 22.078
257 HD23 LEU 33 HD23 LEU 33 18.783 4.039 23.648
258 H ASN 34 H ASN 34 18.252 8.707 24.830
259 HA ASN 34 HA ASN 34 15.522 7.979 24.838
260 HB2 ASN 34 HB2 ASN 34 16.920 8.475 26.839
261 HB3 ASN 34 HB3 ASN 34 16.926 10.187 26.409
262 HD21 ASN 34 HD21 ASN 34 14.823 7.477 27.427
263 HD22 ASN 34 HD22 ASN 34 13.556 8.521 28.055
264 H GLN 35 H GLN 35 16.999 11.072 23.794
265 HA GLN 35 HA GLN 35 14.499 12.452 23.345
266 HB2 GLN 35 HB2 GLN 35 16.706 13.581 23.654
267 HB3 GLN 35 HB3 GLN 35 17.230 12.946 22.087
268 HG2 GLN 35 HG2 GLN 35 15.341 14.180 20.985
269 HG3 GLN 35 HG3 GLN 35 14.851 14.801 22.562
270 HE21 GLN 35 HE21 GLN 35 15.736 16.813 23.125
271 HE22 GLN 35 HE22 GLN 35 17.148 17.499 22.332
272 H HIS 36 H HIS 36 16.708 10.594 21.127
273 HA HIS 36 HA HIS 36 15.011 10.981 18.834
274 HB2 HIS 36 HB2 HIS 36 17.391 10.158 18.722
275 HB3 HIS 36 HB3 HIS 36 16.826 8.582 19.289
276 HD1 HIS 36 HD1 HIS 36 16.614 10.922 16.258
277 HD2 HIS 36 HD2 HIS 36 15.280 7.136 17.501
278 HE1 HIS 36 HE1 HIS 36 15.595 9.838 14.209
279 H GLN 37 H GLN 37 15.132 8.345 21.274
280 HA GLN 37 HA GLN 37 13.242 6.649 20.130
281 HB2 GLN 37 HB2 GLN 37 14.764 6.142 22.044
282 HB3 GLN 37 HB3 GLN 37 13.759 7.136 23.095
283 HG2 GLN 37 HG2 GLN 37 13.274 4.752 23.382
284 HG3 GLN 37 HG3 GLN 37 11.855 5.604 22.776
285 HE21 GLN 37 HE21 GLN 37 14.774 3.929 21.344
286 HE22 GLN 37 HE22 GLN 37 13.820 3.068 20.145
287 H GLU 38 H GLU 38 12.534 9.256 22.581
288 HA GLU 38 HA GLU 38 9.705 8.754 22.420
289 HB2 GLU 38 HB2 GLU 38 9.379 10.606 23.832
290 HB3 GLU 38 HB3 GLU 38 10.798 9.743 24.352
291 HG2 GLU 38 HG2 GLU 38 11.478 11.900 24.636
292 HG3 GLU 38 HG3 GLU 38 12.184 11.513 23.077
293 H LYS 39 H LYS 39 11.751 11.114 20.643
294 HA LYS 39 HA LYS 39 9.523 12.436 19.384
295 HB2 LYS 39 HB2 LYS 39 11.870 13.294 19.748
296 HB3 LYS 39 HB3 LYS 39 12.414 12.303 18.406
297 HG2 LYS 39 HG2 LYS 39 10.179 14.377 18.182
298 HG3 LYS 39 HG3 LYS 39 11.871 14.818 18.050
299 HD2 LYS 39 HD2 LYS 39 10.419 12.945 16.135
300 HD3 LYS 39 HD3 LYS 39 10.802 14.640 15.869
301 HE2 LYS 39 HE2 LYS 39 13.241 14.110 16.144
302 HE3 LYS 39 HE3 LYS 39 12.827 12.393 16.261
303 HZ1 LYS 39 HZ1 LYS 39 13.439 13.025 13.989
304 HZ2 LYS 39 HZ2 LYS 39 12.247 14.132 13.918
305 HZ3 LYS 39 HZ3 LYS 39 11.880 12.541 14.016
306 H CYS 40 H CYS 40 11.692 9.869 18.199
307 HA CYS 40 HA CYS 40 10.593 9.542 15.606
308 HB2 CYS 40 HB2 CYS 40 12.815 8.841 16.604
309 HB3 CYS 40 HB3 CYS 40 11.985 7.497 17.392
310 H ARG 41 H ARG 41 9.914 7.776 18.677
311 HA ARG 41 HA ARG 41 7.767 6.132 17.762
312 HB2 ARG 41 HB2 ARG 41 8.981 5.807 19.848
313 HB3 ARG 41 HB3 ARG 41 8.362 7.315 20.511
314 HG2 ARG 41 HG2 ARG 41 6.521 5.013 19.738
315 HG3 ARG 41 HG3 ARG 41 7.366 5.087 21.284
316 HD2 ARG 41 HD2 ARG 41 6.299 7.460 21.549
317 HD3 ARG 41 HD3 ARG 41 5.210 6.951 20.262
318 HE ARG 41 HE ARG 41 4.155 5.458 21.695
319 HH11 ARG 41 HH11 ARG 41 7.008 6.645 23.364
320 HH12 ARG 41 HH12 ARG 41 6.483 6.002 24.896
321 HH21 ARG 41 HH21 ARG 41 3.559 4.671 23.685
322 HH22 ARG 41 HH22 ARG 41 4.590 4.915 25.063
323 H TRP 42 H TRP 42 7.615 9.441 19.207
324 HA TRP 42 HA TRP 42 4.778 9.661 19.076
325 HB2 TRP 42 HB2 TRP 42 6.272 11.136 20.388
326 HB3 TRP 42 HB3 TRP 42 6.856 11.874 18.901
327 HD1 TRP 42 HD1 TRP 42 3.949 11.827 21.309
328 HE1 TRP 42 HE1 TRP 42 2.274 13.694 20.764
329 HE3 TRP 42 HE3 TRP 42 5.911 13.409 16.837
330 HZ2 TRP 42 HZ2 TRP 42 1.803 15.581 18.637
331 HZ3 TRP 42 HZ3 TRP 42 4.803 15.228 15.561
332 HH2 TRP 42 HH2 TRP 42 2.752 16.316 16.445
333 H LEU 43 H LEU 43 7.241 10.770 16.678
334 HA LEU 43 HA LEU 43 5.378 11.807 14.809
335 HB2 LEU 43 HB2 LEU 43 7.998 12.005 15.047
336 HB3 LEU 43 HB3 LEU 43 8.047 10.582 14.031
337 HG LEU 43 HG LEU 43 8.433 12.559 12.740
338 HD11 LEU 43 HD11 LEU 43 5.586 11.792 12.030
339 HD12 LEU 43 HD12 LEU 43 7.015 10.803 11.633
340 HD13 LEU 43 HD13 LEU 43 6.844 12.439 10.972
341 HD21 LEU 43 HD21 LEU 43 5.736 13.651 13.629
342 HD22 LEU 43 HD22 LEU 43 6.895 14.416 12.527
343 HD23 LEU 43 HD23 LEU 43 7.319 14.189 14.231
344 H ALA 44 H ALA 44 6.837 8.525 15.007
345 HA ALA 44 HA ALA 44 5.519 7.397 12.763
346 HB1 ALA 44 HB1 ALA 44 7.431 6.353 13.920
347 HB2 ALA 44 HB2 ALA 44 6.435 6.087 15.365
348 HB3 ALA 44 HB3 ALA 44 6.053 5.238 13.853
349 H SER 45 H SER 45 4.479 7.459 16.211
350 HA SER 45 HA SER 45 2.032 6.053 15.887
351 HB2 SER 45 HB2 SER 45 3.202 6.487 18.042
352 HB3 SER 45 HB3 SER 45 2.758 8.197 17.925
353 HG SER 45 HG SER 45 1.036 5.935 18.204
354 H SER 46 H SER 46 2.642 9.607 15.842
355 HA SER 46 HA SER 46 -0.088 10.335 15.257
356 HB2 SER 46 HB2 SER 46 2.549 11.824 14.954
357 HB3 SER 46 HB3 SER 46 0.961 12.561 14.683
358 HG SER 46 HG SER 46 0.404 12.132 16.824
359 H LYS 47 H LYS 47 2.368 9.068 13.191
360 HA LYS 47 HA LYS 47 2.668 8.907 10.939
361 HB2 LYS 47 HB2 LYS 47 0.509 7.599 11.499
362 HB3 LYS 47 HB3 LYS 47 -0.364 8.951 10.812
363 HG2 LYS 47 HG2 LYS 47 -0.353 7.559 9.037
364 HG3 LYS 47 HG3 LYS 47 1.108 8.445 8.645
365 HD2 LYS 47 HD2 LYS 47 1.008 5.725 10.040
366 HD3 LYS 47 HD3 LYS 47 1.211 5.977 8.316
367 HE2 LYS 47 HE2 LYS 47 3.395 5.987 8.601
368 HE3 LYS 47 HE3 LYS 47 3.235 7.579 9.332
369 HZ1 LYS 47 HZ1 LYS 47 3.197 4.976 10.789
370 HZ2 LYS 47 HZ2 LYS 47 3.044 6.423 11.530
371 HZ3 LYS 47 HZ3 LYS 47 4.441 6.026 10.773
372 H GLY 48 H GLY 48 2.861 11.525 11.870
373 HA2 GLY 48 HA2 GLY 48 1.305 13.418 10.360
374 HA3 GLY 48 HA3 GLY 48 2.710 13.772 11.365
375 H LYS 49 H LYS 49 4.129 11.689 9.455
376 HA LYS 49 HA LYS 49 4.317 13.193 6.927
377 HB2 LYS 49 HB2 LYS 49 6.096 13.979 8.743
378 HB3 LYS 49 HB3 LYS 49 6.872 12.445 8.389
379 HG2 LYS 49 HG2 LYS 49 7.961 14.040 7.045
380 HG3 LYS 49 HG3 LYS 49 6.903 13.183 5.922
381 HD2 LYS 49 HD2 LYS 49 5.265 15.070 6.037
382 HD3 LYS 49 HD3 LYS 49 6.282 15.860 7.245
383 HE2 LYS 49 HE2 LYS 49 6.751 16.961 5.212
384 HE3 LYS 49 HE3 LYS 49 8.153 15.949 5.559
385 HZ1 LYS 49 HZ1 LYS 49 5.972 15.248 3.657
386 HZ2 LYS 49 HZ2 LYS 49 7.308 14.339 3.930
387 HZ3 LYS 49 HZ3 LYS 49 7.445 15.802 3.227
388 H GLN 50 H GLN 50 5.213 11.949 5.240
389 HA GLN 50 HA GLN 50 5.219 8.994 5.648
390 HB2 GLN 50 HB2 GLN 50 3.772 8.774 3.695
391 HB3 GLN 50 HB3 GLN 50 3.005 9.606 5.028
392 HG2 GLN 50 HG2 GLN 50 4.201 11.097 2.648
393 HG3 GLN 50 HG3 GLN 50 2.550 10.492 2.680
394 HE21 GLN 50 HE21 GLN 50 1.019 11.408 4.295
395 HE22 GLN 50 HE22 GLN 50 1.356 13.007 4.941
396 H VAL 51 H VAL 51 7.574 10.350 5.491
397 HA VAL 51 HA VAL 51 8.805 10.294 2.886
398 HB VAL 51 HB VAL 51 10.941 10.383 4.073
399 HG11 VAL 51 HG11 VAL 51 9.589 12.445 3.773
400 HG12 VAL 51 HG12 VAL 51 8.931 12.217 5.413
401 HG13 VAL 51 HG13 VAL 51 10.664 12.496 5.181
402 HG21 VAL 51 HG21 VAL 51 11.057 10.460 6.526
403 HG22 VAL 51 HG22 VAL 51 9.335 10.048 6.648
404 HG23 VAL 51 HG23 VAL 51 10.503 8.880 5.971
405 H ARG 52 H ARG 52 7.623 7.673 4.540
406 HA ARG 52 HA ARG 52 9.371 5.770 3.089
407 HB2 ARG 52 HB2 ARG 52 9.486 4.255 4.980
408 HB3 ARG 52 HB3 ARG 52 10.306 5.759 5.320
409 HG2 ARG 52 HG2 ARG 52 7.463 5.273 6.322
410 HG3 ARG 52 HG3 ARG 52 8.869 4.596 7.141
411 HD2 ARG 52 HD2 ARG 52 9.831 6.943 7.256
412 HD3 ARG 52 HD3 ARG 52 8.230 7.539 6.769
413 HE ARG 52 HE ARG 52 7.682 5.860 8.887
414 HH11 ARG 52 HH11 ARG 52 9.766 8.666 8.613
415 HH12 ARG 52 HH12 ARG 52 9.719 8.978 10.324
416 HH21 ARG 52 HH21 ARG 52 7.804 6.242 11.083
417 HH22 ARG 52 HH22 ARG 52 8.614 7.659 11.667
418 H ASN 53 H ASN 53 8.485 3.660 2.843
419 HA ASN 53 HA ASN 53 5.527 3.396 2.909
420 HB2 ASN 53 HB2 ASN 53 6.034 4.504 0.769
421 HB3 ASN 53 HB3 ASN 53 7.301 3.329 0.419
422 HD21 ASN 53 HD21 ASN 53 3.761 3.731 0.733
423 HD22 ASN 53 HD22 ASN 53 3.388 2.286 -0.194
424 H PHE 54 H PHE 54 4.832 1.300 3.043
425 HA PHE 54 HA PHE 54 6.534 -0.990 2.483
426 HB2 PHE 54 HB2 PHE 54 6.534 -1.939 4.688
427 HB3 PHE 54 HB3 PHE 54 7.288 -0.367 4.761
428 HD1 PHE 54 HD2 PHE 54 5.942 1.622 5.709
429 HD2 PHE 54 HD1 PHE 54 4.686 -2.488 6.098
430 HE1 PHE 54 HE2 PHE 54 4.453 2.253 7.593
431 HE2 PHE 54 HE1 PHE 54 3.218 -1.855 7.996
432 HZ PHE 54 HZ PHE 54 3.094 0.514 8.744
433 H SER 55 H SER 55 5.310 -3.062 3.017
434 HA SER 55 HA SER 55 2.415 -2.771 2.268
435 HB2 SER 55 HB2 SER 55 4.394 -4.967 1.551
436 HB3 SER 55 HB3 SER 55 2.666 -4.959 1.160
437 HG SER 55 HG SER 55 4.610 -3.028 0.315
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 38.588 32.242 0.098
2 H2 GLY 1 H2 GLY 1 39.734 33.393 -0.184
3 H3 GLY 1 H3 GLY 1 40.058 31.814 -0.537
4 HA2 GLY 1 HA2 GLY 1 38.023 33.506 -1.888
5 HA3 GLY 1 HA3 GLY 1 39.614 33.075 -2.552
6 H SER 2 H SER 2 36.424 31.842 -1.672
7 HA SER 2 HA SER 2 35.234 30.000 -2.217
8 HB2 SER 2 HB2 SER 2 36.671 30.350 -4.866
9 HB3 SER 2 HB3 SER 2 35.094 29.581 -4.616
10 HG SER 2 HG SER 2 34.252 31.564 -3.946
11 H GLU 3 H GLU 3 37.838 29.173 -1.017
12 HA GLU 3 HA GLU 3 38.578 26.673 -2.362
13 HB2 GLU 3 HB2 GLU 3 40.217 28.062 -1.149
14 HB3 GLU 3 HB3 GLU 3 39.339 27.794 0.369
15 HG2 GLU 3 HG2 GLU 3 39.828 25.387 0.270
16 HG3 GLU 3 HG3 GLU 3 40.512 25.564 -1.358
17 H PHE 4 H PHE 4 37.749 24.708 -2.021
18 HA PHE 4 HA PHE 4 36.254 24.030 0.454
19 HB2 PHE 4 HB2 PHE 4 35.204 23.868 -2.391
20 HB3 PHE 4 HB3 PHE 4 34.663 22.742 -1.166
21 HD1 PHE 4 HD1 PHE 4 34.634 26.324 -2.156
22 HD2 PHE 4 HD2 PHE 4 33.153 23.358 0.604
23 HE1 PHE 4 HE1 PHE 4 32.920 27.933 -1.344
24 HE2 PHE 4 HE2 PHE 4 31.430 24.959 1.400
25 HZ PHE 4 HZ PHE 4 31.315 27.250 0.433
26 H THR 5 H THR 5 36.579 22.009 1.140
27 HA THR 5 HA THR 5 37.820 19.894 -0.510
28 HB THR 5 HB THR 5 39.115 20.800 2.101
29 HG1 THR 5 HG1 THR 5 39.848 21.354 -0.575
30 HG21 THR 5 HG21 THR 5 41.035 19.421 1.279
31 HG22 THR 5 HG22 THR 5 40.028 18.864 -0.076
32 HG23 THR 5 HG23 THR 5 39.593 18.461 1.602
33 H SER 6 H SER 6 37.452 17.800 0.401
34 HA SER 6 HA SER 6 35.173 17.481 2.102
35 HB2 SER 6 HB2 SER 6 35.907 15.060 2.119
36 HB3 SER 6 HB3 SER 6 35.612 15.783 0.531
37 HG SER 6 HG SER 6 37.555 14.559 0.574
38 H SER 7 H SER 7 34.929 17.101 4.233
39 HA SER 7 HA SER 7 36.932 17.821 6.130
40 HB2 SER 7 HB2 SER 7 34.336 16.268 6.509
41 HB3 SER 7 HB3 SER 7 35.283 17.025 7.804
42 HG SER 7 HG SER 7 33.578 18.386 7.105
43 HA PRO 8 HA PRO 8 39.054 13.948 6.813
44 HB2 PRO 8 HB2 PRO 8 39.760 14.080 9.467
45 HB3 PRO 8 HB3 PRO 8 40.520 15.072 8.185
46 HG2 PRO 8 HG2 PRO 8 38.277 15.862 10.069
47 HG3 PRO 8 HG3 PRO 8 39.769 16.777 9.676
48 HD2 PRO 8 HD2 PRO 8 37.404 17.310 8.452
49 HD3 PRO 8 HD3 PRO 8 38.944 17.382 7.545
50 H ARG 9 H ARG 9 38.700 11.875 7.494
51 HA ARG 9 HA ARG 9 36.531 11.158 9.397
52 HB2 ARG 9 HB2 ARG 9 36.662 10.066 6.543
53 HB3 ARG 9 HB3 ARG 9 35.515 9.594 7.800
54 HG2 ARG 9 HG2 ARG 9 34.604 11.946 7.783
55 HG3 ARG 9 HG3 ARG 9 35.692 12.308 6.428
56 HD2 ARG 9 HD2 ARG 9 34.636 10.410 5.153
57 HD3 ARG 9 HD3 ARG 9 33.431 10.269 6.433
58 HE ARG 9 HE ARG 9 33.626 12.308 4.346
59 HH11 ARG 9 HH11 ARG 9 32.235 11.772 7.521
60 HH12 ARG 9 HH12 ARG 9 31.045 13.027 7.303
61 HH21 ARG 9 HH21 ARG 9 32.075 13.870 4.134
62 HH22 ARG 9 HH22 ARG 9 30.962 14.177 5.435
63 H GLY 10 H GLY 10 36.854 9.133 10.365
64 HA2 GLY 10 HA2 GLY 10 38.384 6.967 9.697
65 HA3 GLY 10 HA3 GLY 10 39.617 8.112 10.225
66 H ASP 11 H ASP 11 36.421 6.874 11.393
67 HA ASP 11 HA ASP 11 37.653 6.194 13.997
68 HB2 ASP 11 HB2 ASP 11 36.799 8.542 14.196
69 HB3 ASP 11 HB3 ASP 11 35.185 7.967 13.748
70 H LYS 12 H LYS 12 36.408 4.751 15.274
71 HA LYS 12 HA LYS 12 34.055 3.401 14.140
72 HB2 LYS 12 HB2 LYS 12 36.179 2.391 13.056
73 HB3 LYS 12 HB3 LYS 12 36.614 1.812 14.654
74 HG2 LYS 12 HG2 LYS 12 35.616 0.017 13.466
75 HG3 LYS 12 HG3 LYS 12 34.445 0.496 14.698
76 HD2 LYS 12 HD2 LYS 12 33.098 1.680 13.040
77 HD3 LYS 12 HD3 LYS 12 34.326 1.455 11.791
78 HE2 LYS 12 HE2 LYS 12 32.838 -0.832 13.163
79 HE3 LYS 12 HE3 LYS 12 32.302 -0.066 11.664
80 HZ1 LYS 12 HZ1 LYS 12 34.403 -0.737 10.629
81 HZ2 LYS 12 HZ2 LYS 12 33.595 -2.041 11.182
82 HZ3 LYS 12 HZ3 LYS 12 34.891 -1.485 12.001
83 H ALA 13 H ALA 13 32.748 2.904 15.763
84 HA ALA 13 HA ALA 13 33.775 2.416 18.528
85 HB1 ALA 13 HB1 ALA 13 31.662 4.454 17.690
86 HB2 ALA 13 HB2 ALA 13 32.163 4.094 19.359
87 HB3 ALA 13 HB3 ALA 13 33.316 4.824 18.230
88 H ALA 14 H ALA 14 32.581 0.630 16.477
89 HA ALA 14 HA ALA 14 29.859 0.005 17.121
90 HB1 ALA 14 HB1 ALA 14 30.219 -1.797 15.489
91 HB2 ALA 14 HB2 ALA 14 30.919 -0.283 14.900
92 HB3 ALA 14 HB3 ALA 14 31.975 -1.550 15.570
93 H TYR 15 H TYR 15 31.424 -0.126 19.549
94 HA TYR 15 HA TYR 15 32.017 -2.862 20.293
95 HB2 TYR 15 HB2 TYR 15 33.052 -0.605 21.084
96 HB3 TYR 15 HB3 TYR 15 31.694 -0.512 22.184
97 HD1 TYR 15 HD1 TYR 15 34.620 -2.589 21.134
98 HD2 TYR 15 HD2 TYR 15 31.772 -1.752 24.270
99 HE1 TYR 15 HE1 TYR 15 35.927 -4.016 22.709
100 HE2 TYR 15 HE2 TYR 15 33.076 -3.180 25.837
101 HH TYR 15 HH TYR 15 34.911 -4.526 26.112
102 H ASP 16 H ASP 16 29.280 -2.547 19.404
103 HA ASP 16 HA ASP 16 27.106 -2.840 19.826
104 HB2 ASP 16 HB2 ASP 16 28.194 -5.036 20.418
105 HB3 ASP 16 HB3 ASP 16 28.015 -4.603 22.116
106 H ILE 17 H ILE 17 28.550 -0.732 21.668
107 HA ILE 17 HA ILE 17 26.550 -0.331 23.773
108 HB ILE 17 HB ILE 17 28.863 0.076 24.203
109 HG12 ILE 17 HG12 ILE 17 26.973 1.426 25.304
110 HG13 ILE 17 HG13 ILE 17 28.650 1.856 25.577
111 HG21 ILE 17 HG21 ILE 17 29.714 0.806 22.022
112 HG22 ILE 17 HG22 ILE 17 28.858 2.350 22.178
113 HG23 ILE 17 HG23 ILE 17 30.159 1.932 23.303
114 HD11 ILE 17 HD11 ILE 17 26.856 3.355 23.621
115 HD12 ILE 17 HD12 ILE 17 27.179 3.829 25.296
116 HD13 ILE 17 HD13 ILE 17 28.502 3.790 24.123
117 H LEU 18 H LEU 18 27.358 1.195 20.649
118 HA LEU 18 HA LEU 18 25.408 3.309 20.783
119 HB2 LEU 18 HB2 LEU 18 26.585 1.905 18.343
120 HB3 LEU 18 HB3 LEU 18 25.730 3.443 18.335
121 HG LEU 18 HG LEU 18 28.446 2.906 19.614
122 HD11 LEU 18 HD11 LEU 18 27.618 4.577 17.195
123 HD12 LEU 18 HD12 LEU 18 28.453 2.997 17.146
124 HD13 LEU 18 HD13 LEU 18 29.267 4.409 17.851
125 HD21 LEU 18 HD21 LEU 18 28.517 5.408 19.891
126 HD22 LEU 18 HD22 LEU 18 27.360 4.594 20.945
127 HD23 LEU 18 HD23 LEU 18 26.781 5.462 19.492
128 H ARG 19 H ARG 19 23.413 3.510 19.750
129 HA ARG 19 HA ARG 19 22.022 1.013 18.826
130 HB2 ARG 19 HB2 ARG 19 21.457 1.905 21.199
131 HB3 ARG 19 HB3 ARG 19 20.671 3.245 20.384
132 HG2 ARG 19 HG2 ARG 19 19.959 0.291 20.025
133 HG3 ARG 19 HG3 ARG 19 19.188 1.384 21.169
134 HD2 ARG 19 HD2 ARG 19 18.532 2.848 19.182
135 HD3 ARG 19 HD3 ARG 19 19.020 1.515 18.142
136 HE ARG 19 HE ARG 19 16.647 1.669 19.837
137 HH11 ARG 19 HH11 ARG 19 18.657 -0.586 18.040
138 HH12 ARG 19 HH12 ARG 19 17.383 -1.770 17.945
139 HH21 ARG 19 HH21 ARG 19 15.067 0.132 19.622
140 HH22 ARG 19 HH22 ARG 19 15.416 -1.367 18.810
141 H ARG 20 H ARG 20 20.930 1.221 16.957
142 HA ARG 20 HA ARG 20 20.857 3.888 15.607
143 HB2 ARG 20 HB2 ARG 20 21.578 2.914 13.598
144 HB3 ARG 20 HB3 ARG 20 22.610 2.229 14.853
145 HG2 ARG 20 HG2 ARG 20 20.964 0.192 14.822
146 HG3 ARG 20 HG3 ARG 20 20.382 0.887 13.302
147 HD2 ARG 20 HD2 ARG 20 22.033 -0.705 12.696
148 HD3 ARG 20 HD3 ARG 20 22.804 0.881 12.499
149 HE ARG 20 HE ARG 20 23.242 -0.268 15.145
150 HH11 ARG 20 HH11 ARG 20 24.491 -0.466 11.878
151 HH12 ARG 20 HH12 ARG 20 26.033 -1.078 12.414
152 HH21 ARG 20 HH21 ARG 20 25.212 -1.061 15.755
153 HH22 ARG 20 HH22 ARG 20 26.418 -1.412 14.553
154 H CYS 21 H CYS 21 19.128 4.471 14.414
155 HA CYS 21 HA CYS 21 16.595 3.041 14.932
156 HB2 CYS 21 HB2 CYS 21 16.877 5.502 15.229
157 HB3 CYS 21 HB3 CYS 21 17.179 5.645 13.487
158 H SER 22 H SER 22 15.752 1.628 13.542
159 HA SER 22 HA SER 22 16.925 0.911 11.031
160 HB2 SER 22 HB2 SER 22 15.548 -0.528 12.625
161 HB3 SER 22 HB3 SER 22 14.104 0.239 11.936
162 HG SER 22 HG SER 22 14.682 -1.752 10.897
163 H GLN 23 H GLN 23 14.737 3.462 11.762
164 HA GLN 23 HA GLN 23 13.892 3.739 8.892
165 HB2 GLN 23 HB2 GLN 23 12.578 4.709 11.455
166 HB3 GLN 23 HB3 GLN 23 12.037 5.113 9.816
167 HG2 GLN 23 HG2 GLN 23 11.664 2.713 9.324
168 HG3 GLN 23 HG3 GLN 23 12.184 2.281 10.958
169 HE21 GLN 23 HE21 GLN 23 9.754 1.339 10.321
170 HE22 GLN 23 HE22 GLN 23 8.494 2.308 11.088
171 H CYS 24 H CYS 24 15.388 5.487 11.633
172 HA CYS 24 HA CYS 24 15.556 7.948 10.014
173 HB2 CYS 24 HB2 CYS 24 16.493 7.520 12.857
174 HB3 CYS 24 HB3 CYS 24 16.154 9.039 12.032
175 H GLY 25 H GLY 25 17.691 5.321 10.933
176 HA2 GLY 25 HA2 GLY 25 19.759 4.780 10.130
177 HA3 GLY 25 HA3 GLY 25 19.759 6.253 9.160
178 H ILE 26 H ILE 26 19.383 7.654 12.007
179 HA ILE 26 HA ILE 26 22.154 8.282 12.494
180 HB ILE 26 HB ILE 26 20.332 9.871 12.831
181 HG12 ILE 26 HG12 ILE 26 20.865 10.823 15.023
182 HG13 ILE 26 HG13 ILE 26 21.684 9.333 15.519
183 HG21 ILE 26 HG21 ILE 26 19.432 8.153 15.209
184 HG22 ILE 26 HG22 ILE 26 18.774 9.756 14.707
185 HG23 ILE 26 HG23 ILE 26 18.550 8.329 13.642
186 HD11 ILE 26 HD11 ILE 26 22.534 11.178 13.211
187 HD12 ILE 26 HD12 ILE 26 23.272 11.103 14.846
188 HD13 ILE 26 HD13 ILE 26 23.417 9.697 13.749
189 H LEU 27 H LEU 27 23.401 7.917 14.389
190 HA LEU 27 HA LEU 27 22.731 5.475 16.016
191 HB2 LEU 27 HB2 LEU 27 25.456 6.479 15.045
192 HB3 LEU 27 HB3 LEU 27 25.211 5.291 16.312
193 HG LEU 27 HG LEU 27 23.923 3.903 14.564
194 HD11 LEU 27 HD11 LEU 27 23.750 5.532 12.734
195 HD12 LEU 27 HD12 LEU 27 24.749 4.172 12.233
196 HD13 LEU 27 HD13 LEU 27 25.519 5.708 12.694
197 HD21 LEU 27 HD21 LEU 27 26.029 2.887 13.771
198 HD22 LEU 27 HD22 LEU 27 26.106 3.280 15.494
199 HD23 LEU 27 HD23 LEU 27 26.926 4.328 14.310
200 H LEU 28 H LEU 28 22.661 5.806 18.161
201 HA LEU 28 HA LEU 28 23.773 8.330 19.336
202 HB2 LEU 28 HB2 LEU 28 21.189 6.893 20.075
203 HB3 LEU 28 HB3 LEU 28 21.881 8.245 20.935
204 HG LEU 28 HG LEU 28 20.128 9.160 19.793
205 HD11 LEU 28 HD11 LEU 28 20.996 10.780 18.279
206 HD12 LEU 28 HD12 LEU 28 22.401 9.776 17.892
207 HD13 LEU 28 HD13 LEU 28 22.230 10.469 19.515
208 HD21 LEU 28 HD21 LEU 28 19.629 7.306 18.259
209 HD22 LEU 28 HD22 LEU 28 20.928 7.847 17.182
210 HD23 LEU 28 HD23 LEU 28 19.532 8.895 17.483
211 HA PRO 29 HA PRO 29 25.853 5.571 22.109
212 HB2 PRO 29 HB2 PRO 29 26.374 7.174 24.289
213 HB3 PRO 29 HB3 PRO 29 27.203 7.300 22.712
214 HG2 PRO 29 HG2 PRO 29 24.876 8.962 23.722
215 HG3 PRO 29 HG3 PRO 29 26.370 9.514 22.906
216 HD2 PRO 29 HD2 PRO 29 24.030 9.166 21.550
217 HD3 PRO 29 HD3 PRO 29 25.607 8.789 20.804
218 H LEU 30 H LEU 30 23.750 7.480 24.329
219 HA LEU 30 HA LEU 30 22.044 5.256 25.000
220 HB2 LEU 30 HB2 LEU 30 24.574 5.459 26.432
221 HB3 LEU 30 HB3 LEU 30 23.259 5.733 27.558
222 HG LEU 30 HG LEU 30 23.298 3.324 25.693
223 HD11 LEU 30 HD11 LEU 30 25.301 3.273 27.117
224 HD12 LEU 30 HD12 LEU 30 24.133 2.042 27.619
225 HD13 LEU 30 HD13 LEU 30 24.300 3.543 28.563
226 HD21 LEU 30 HD21 LEU 30 21.816 3.879 28.302
227 HD22 LEU 30 HD22 LEU 30 21.724 2.395 27.328
228 HD23 LEU 30 HD23 LEU 30 21.090 3.916 26.679
229 HA PRO 31 HA PRO 31 20.634 8.912 27.652
230 HB2 PRO 31 HB2 PRO 31 22.034 11.260 27.874
231 HB3 PRO 31 HB3 PRO 31 22.297 9.839 28.928
232 HG2 PRO 31 HG2 PRO 31 23.884 10.655 26.480
233 HG3 PRO 31 HG3 PRO 31 24.497 10.148 28.083
234 HD2 PRO 31 HD2 PRO 31 24.346 8.413 25.999
235 HD3 PRO 31 HD3 PRO 31 24.011 7.893 27.671
236 H ILE 32 H ILE 32 22.456 10.120 24.797
237 HA ILE 32 HA ILE 32 20.509 12.062 23.982
238 HB ILE 32 HB ILE 32 22.501 10.623 22.196
239 HG12 ILE 32 HG12 ILE 32 22.931 13.128 23.893
240 HG13 ILE 32 HG13 ILE 32 23.668 11.553 24.187
241 HG21 ILE 32 HG21 ILE 32 20.799 11.984 20.983
242 HG22 ILE 32 HG22 ILE 32 21.229 13.393 21.974
243 HG23 ILE 32 HG23 ILE 32 22.392 12.689 20.831
244 HD11 ILE 32 HD11 ILE 32 25.325 12.900 23.176
245 HD12 ILE 32 HD12 ILE 32 24.824 11.703 21.964
246 HD13 ILE 32 HD13 ILE 32 24.259 13.392 21.854
247 H LEU 33 H LEU 33 20.717 8.584 23.468
248 HA LEU 33 HA LEU 33 18.845 8.245 21.370
249 HB2 LEU 33 HB2 LEU 33 20.342 6.469 22.341
250 HB3 LEU 33 HB3 LEU 33 19.338 6.476 23.791
251 HG LEU 33 HG LEU 33 17.374 5.748 22.404
252 HD11 LEU 33 HD11 LEU 33 17.754 4.802 20.190
253 HD12 LEU 33 HD12 LEU 33 19.460 5.305 20.226
254 HD13 LEU 33 HD13 LEU 33 18.158 6.514 20.172
255 HD21 LEU 33 HD21 LEU 33 18.636 4.146 23.698
256 HD22 LEU 33 HD22 LEU 33 19.834 3.976 22.400
257 HD23 LEU 33 HD23 LEU 33 18.154 3.424 22.155
258 H ASN 34 H ASN 34 18.260 9.017 24.793
259 HA ASN 34 HA ASN 34 15.535 8.287 24.978
260 HB2 ASN 34 HB2 ASN 34 17.149 9.008 26.807
261 HB3 ASN 34 HB3 ASN 34 16.903 10.676 26.294
262 HD21 ASN 34 HD21 ASN 34 15.722 8.150 28.291
263 HD22 ASN 34 HD22 ASN 34 14.219 8.948 28.747
264 H GLN 35 H GLN 35 16.977 11.315 23.710
265 HA GLN 35 HA GLN 35 14.494 12.646 23.123
266 HB2 GLN 35 HB2 GLN 35 16.682 13.787 23.331
267 HB3 GLN 35 HB3 GLN 35 17.236 12.997 21.844
268 HG2 GLN 35 HG2 GLN 35 15.461 14.145 20.554
269 HG3 GLN 35 HG3 GLN 35 14.817 14.854 22.039
270 HE21 GLN 35 HE21 GLN 35 17.590 14.906 19.760
271 HE22 GLN 35 HE22 GLN 35 18.170 16.477 20.301
272 H HIS 36 H HIS 36 16.558 10.395 21.201
273 HA HIS 36 HA HIS 36 14.937 10.608 18.821
274 HB2 HIS 36 HB2 HIS 36 17.305 9.596 18.996
275 HB3 HIS 36 HB3 HIS 36 16.507 8.120 19.557
276 HD1 HIS 36 HD1 HIS 36 16.835 10.363 16.479
277 HD2 HIS 36 HD2 HIS 36 14.923 6.817 17.675
278 HE1 HIS 36 HE1 HIS 36 15.834 9.384 14.384
279 H GLN 37 H GLN 37 14.848 8.327 21.624
280 HA GLN 37 HA GLN 37 12.818 6.653 20.626
281 HB2 GLN 37 HB2 GLN 37 13.308 7.388 23.542
282 HB3 GLN 37 HB3 GLN 37 12.338 6.042 22.950
283 HG2 GLN 37 HG2 GLN 37 14.813 5.677 21.655
284 HG3 GLN 37 HG3 GLN 37 15.249 6.254 23.264
285 HE21 GLN 37 HE21 GLN 37 14.486 3.462 21.490
286 HE22 GLN 37 HE22 GLN 37 14.146 2.424 22.870
287 H GLU 38 H GLU 38 12.361 9.683 22.577
288 HA GLU 38 HA GLU 38 9.483 9.451 22.415
289 HB2 GLU 38 HB2 GLU 38 9.326 11.637 23.317
290 HB3 GLU 38 HB3 GLU 38 10.528 10.707 24.204
291 HG2 GLU 38 HG2 GLU 38 12.340 11.914 23.062
292 HG3 GLU 38 HG3 GLU 38 11.170 12.817 22.096
293 H LYS 39 H LYS 39 11.810 11.235 20.296
294 HA LYS 39 HA LYS 39 9.723 12.483 18.744
295 HB2 LYS 39 HB2 LYS 39 11.923 13.452 18.720
296 HB3 LYS 39 HB3 LYS 39 12.665 11.934 18.216
297 HG2 LYS 39 HG2 LYS 39 12.621 13.496 16.360
298 HG3 LYS 39 HG3 LYS 39 11.645 12.083 16.008
299 HD2 LYS 39 HD2 LYS 39 9.642 13.648 16.876
300 HD3 LYS 39 HD3 LYS 39 10.774 14.942 16.499
301 HE2 LYS 39 HE2 LYS 39 9.837 12.727 14.605
302 HE3 LYS 39 HE3 LYS 39 9.173 14.363 14.651
303 HZ1 LYS 39 HZ1 LYS 39 11.345 15.215 13.977
304 HZ2 LYS 39 HZ2 LYS 39 10.823 14.114 12.886
305 HZ3 LYS 39 HZ3 LYS 39 11.990 13.709 13.954
306 H CYS 40 H CYS 40 11.635 9.540 18.121
307 HA CYS 40 HA CYS 40 10.496 8.904 15.601
308 HB2 CYS 40 HB2 CYS 40 12.625 8.107 17.009
309 HB3 CYS 40 HB3 CYS 40 11.560 6.786 17.480
310 H ARG 41 H ARG 41 9.633 7.837 18.929
311 HA ARG 41 HA ARG 41 7.277 6.324 18.322
312 HB2 ARG 41 HB2 ARG 41 8.338 6.242 20.508
313 HB3 ARG 41 HB3 ARG 41 8.059 7.976 20.754
314 HG2 ARG 41 HG2 ARG 41 5.640 7.627 20.848
315 HG3 ARG 41 HG3 ARG 41 5.849 5.891 20.531
316 HD2 ARG 41 HD2 ARG 41 6.992 5.574 22.629
317 HD3 ARG 41 HD3 ARG 41 7.149 7.326 22.881
318 HE ARG 41 HE ARG 41 4.388 6.786 22.668
319 HH11 ARG 41 HH11 ARG 41 6.944 5.981 24.929
320 HH12 ARG 41 HH12 ARG 41 5.858 5.979 26.295
321 HH21 ARG 41 HH21 ARG 41 3.065 6.795 24.451
322 HH22 ARG 41 HH22 ARG 41 3.720 6.428 26.023
323 H TRP 42 H TRP 42 7.546 9.846 19.140
324 HA TRP 42 HA TRP 42 4.774 10.357 19.008
325 HB2 TRP 42 HB2 TRP 42 6.504 11.879 19.953
326 HB3 TRP 42 HB3 TRP 42 7.018 12.292 18.319
327 HD1 TRP 42 HD1 TRP 42 4.427 12.999 20.942
328 HE1 TRP 42 HE1 TRP 42 2.822 14.860 20.198
329 HE3 TRP 42 HE3 TRP 42 5.882 13.430 16.036
330 HZ2 TRP 42 HZ2 TRP 42 2.186 16.284 17.776
331 HZ3 TRP 42 HZ3 TRP 42 4.730 15.030 14.528
332 HH2 TRP 42 HH2 TRP 42 2.883 16.458 15.382
333 H LEU 43 H LEU 43 7.196 10.641 16.361
334 HA LEU 43 HA LEU 43 5.298 11.480 14.390
335 HB2 LEU 43 HB2 LEU 43 7.916 11.570 14.479
336 HB3 LEU 43 HB3 LEU 43 7.861 9.961 13.797
337 HG LEU 43 HG LEU 43 8.270 11.635 12.114
338 HD11 LEU 43 HD11 LEU 43 6.842 9.682 11.445
339 HD12 LEU 43 HD12 LEU 43 6.652 11.127 10.439
340 HD13 LEU 43 HD13 LEU 43 5.414 10.731 11.634
341 HD21 LEU 43 HD21 LEU 43 7.154 13.556 13.239
342 HD22 LEU 43 HD22 LEU 43 5.576 12.907 12.740
343 HD23 LEU 43 HD23 LEU 43 6.757 13.416 11.520
344 H ALA 44 H ALA 44 6.596 8.189 15.152
345 HA ALA 44 HA ALA 44 5.054 6.790 13.214
346 HB1 ALA 44 HB1 ALA 44 7.019 5.857 14.363
347 HB2 ALA 44 HB2 ALA 44 6.133 5.852 15.907
348 HB3 ALA 44 HB3 ALA 44 5.605 4.807 14.569
349 H SER 45 H SER 45 4.154 7.822 16.517
350 HA SER 45 HA SER 45 1.578 6.474 16.523
351 HB2 SER 45 HB2 SER 45 2.895 7.177 18.540
352 HB3 SER 45 HB3 SER 45 2.505 8.863 18.173
353 HG SER 45 HG SER 45 0.315 8.387 18.501
354 H SER 46 H SER 46 2.666 9.778 15.693
355 HA SER 46 HA SER 46 0.092 10.916 15.161
356 HB2 SER 46 HB2 SER 46 2.121 12.214 15.647
357 HB3 SER 46 HB3 SER 46 2.862 11.657 14.135
358 HG SER 46 HG SER 46 1.855 13.765 14.028
359 H LYS 47 H LYS 47 2.315 9.068 13.126
360 HA LYS 47 HA LYS 47 2.302 8.328 10.983
361 HB2 LYS 47 HB2 LYS 47 -0.721 8.389 11.340
362 HB3 LYS 47 HB3 LYS 47 0.091 7.598 10.011
363 HG2 LYS 47 HG2 LYS 47 0.537 6.868 12.927
364 HG3 LYS 47 HG3 LYS 47 -0.671 6.106 11.916
365 HD2 LYS 47 HD2 LYS 47 2.269 6.057 11.103
366 HD3 LYS 47 HD3 LYS 47 1.604 4.944 12.285
367 HE2 LYS 47 HE2 LYS 47 1.563 3.756 10.288
368 HE3 LYS 47 HE3 LYS 47 -0.109 4.177 10.651
369 HZ1 LYS 47 HZ1 LYS 47 0.455 4.518 8.304
370 HZ2 LYS 47 HZ2 LYS 47 1.624 5.592 8.683
371 HZ3 LYS 47 HZ3 LYS 47 0.047 5.944 8.978
372 H GLY 48 H GLY 48 2.367 11.226 11.410
373 HA2 GLY 48 HA2 GLY 48 0.932 12.598 9.337
374 HA3 GLY 48 HA3 GLY 48 2.296 13.227 10.251
375 H LYS 49 H LYS 49 1.912 13.874 7.623
376 HA LYS 49 HA LYS 49 3.481 12.203 5.813
377 HB2 LYS 49 HB2 LYS 49 1.395 13.464 5.241
378 HB3 LYS 49 HB3 LYS 49 2.296 14.965 5.310
379 HG2 LYS 49 HG2 LYS 49 3.019 12.593 3.505
380 HG3 LYS 49 HG3 LYS 49 1.878 13.837 3.026
381 HD2 LYS 49 HD2 LYS 49 4.843 14.282 3.562
382 HD3 LYS 49 HD3 LYS 49 4.045 14.205 1.996
383 HE2 LYS 49 HE2 LYS 49 2.677 16.187 2.524
384 HE3 LYS 49 HE3 LYS 49 3.397 16.282 4.144
385 HZ1 LYS 49 HZ1 LYS 49 4.462 17.804 2.563
386 HZ2 LYS 49 HZ2 LYS 49 4.939 16.556 1.614
387 HZ3 LYS 49 HZ3 LYS 49 5.542 16.718 3.140
388 H GLN 50 H GLN 50 5.431 12.136 6.971
389 HA GLN 50 HA GLN 50 7.271 14.437 6.914
390 HB2 GLN 50 HB2 GLN 50 7.286 12.582 8.610
391 HB3 GLN 50 HB3 GLN 50 7.818 11.466 7.349
392 HG2 GLN 50 HG2 GLN 50 9.936 12.642 7.139
393 HG3 GLN 50 HG3 GLN 50 9.349 13.991 8.126
394 HE21 GLN 50 HE21 GLN 50 10.030 10.430 8.308
395 HE22 GLN 50 HE22 GLN 50 10.510 10.498 9.998
396 H VAL 51 H VAL 51 9.403 14.141 5.674
397 HA VAL 51 HA VAL 51 9.019 12.949 2.949
398 HB VAL 51 HB VAL 51 10.412 14.772 2.047
399 HG11 VAL 51 HG11 VAL 51 7.890 15.773 3.424
400 HG12 VAL 51 HG12 VAL 51 8.676 16.476 1.992
401 HG13 VAL 51 HG13 VAL 51 7.950 14.862 1.896
402 HG21 VAL 51 HG21 VAL 51 11.557 15.529 4.126
403 HG22 VAL 51 HG22 VAL 51 10.759 16.853 3.268
404 HG23 VAL 51 HG23 VAL 51 10.013 16.177 4.727
405 H ARG 52 H ARG 52 10.948 12.271 1.853
406 HA ARG 52 HA ARG 52 13.372 11.761 3.459
407 HB2 ARG 52 HB2 ARG 52 13.218 9.367 3.416
408 HB3 ARG 52 HB3 ARG 52 11.780 10.013 4.158
409 HG2 ARG 52 HG2 ARG 52 10.979 8.270 2.889
410 HG3 ARG 52 HG3 ARG 52 10.587 9.662 1.885
411 HD2 ARG 52 HD2 ARG 52 12.345 9.139 0.328
412 HD3 ARG 52 HD3 ARG 52 13.127 8.034 1.482
413 HE ARG 52 HE ARG 52 10.520 7.056 0.953
414 HH11 ARG 52 HH11 ARG 52 13.539 7.392 -0.812
415 HH12 ARG 52 HH12 ARG 52 13.256 5.943 -1.734
416 HH21 ARG 52 HH21 ARG 52 10.222 5.241 -0.289
417 HH22 ARG 52 HH22 ARG 52 11.423 4.777 -1.458
418 H ASN 53 H ASN 53 14.960 10.401 2.255
419 HA ASN 53 HA ASN 53 14.826 10.748 -0.716
420 HB2 ASN 53 HB2 ASN 53 17.162 11.512 -0.711
421 HB3 ASN 53 HB3 ASN 53 16.099 12.599 0.168
422 HD21 ASN 53 HD21 ASN 53 16.928 13.309 2.114
423 HD22 ASN 53 HD22 ASN 53 18.108 12.415 3.066
424 H PHE 54 H PHE 54 15.755 8.593 1.887
425 HA PHE 54 HA PHE 54 16.416 6.521 -0.155
426 HB2 PHE 54 HB2 PHE 54 18.497 7.675 0.605
427 HB3 PHE 54 HB3 PHE 54 18.141 7.192 2.257
428 HD1 PHE 54 HD2 PHE 54 18.701 5.787 -1.193
429 HD2 PHE 54 HD1 PHE 54 19.000 5.121 3.059
430 HE1 PHE 54 HE2 PHE 54 19.909 3.655 -1.610
431 HE2 PHE 54 HE1 PHE 54 20.215 2.995 2.638
432 HZ PHE 54 HZ PHE 54 20.668 2.258 0.305
433 H SER 55 H SER 55 15.011 7.225 2.972
434 HA SER 55 HA SER 55 14.368 4.335 3.421
435 HB2 SER 55 HB2 SER 55 15.284 6.358 5.505
436 HB3 SER 55 HB3 SER 55 14.744 4.705 5.831
437 HG SER 55 HG SER 55 16.505 3.939 4.555
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 9.891 4.382 1.583
2 H2 GLY 1 H2 GLY 1 8.554 3.481 1.868
3 H3 GLY 1 H3 GLY 1 8.685 4.334 0.475
4 HA2 GLY 1 HA2 GLY 1 9.087 2.052 -0.034
5 HA3 GLY 1 HA3 GLY 1 10.588 2.981 -0.203
6 H SER 2 H SER 2 11.329 0.648 0.007
7 HA SER 2 HA SER 2 11.995 0.009 2.857
8 HB2 SER 2 HB2 SER 2 11.429 -1.953 0.606
9 HB3 SER 2 HB3 SER 2 12.042 -2.376 2.214
10 HG SER 2 HG SER 2 10.117 -1.622 3.124
11 H GLU 3 H GLU 3 14.025 0.572 3.107
12 HA GLU 3 HA GLU 3 15.768 0.961 0.814
13 HB2 GLU 3 HB2 GLU 3 16.288 1.564 3.746
14 HB3 GLU 3 HB3 GLU 3 17.141 2.227 2.350
15 HG2 GLU 3 HG2 GLU 3 14.275 2.776 3.219
16 HG3 GLU 3 HG3 GLU 3 15.629 3.889 3.235
17 H PHE 4 H PHE 4 15.506 -1.685 0.885
18 HA PHE 4 HA PHE 4 16.861 -3.426 2.460
19 HB2 PHE 4 HB2 PHE 4 16.528 -3.391 -0.555
20 HB3 PHE 4 HB3 PHE 4 17.319 -4.725 0.253
21 HD1 PHE 4 HD1 PHE 4 16.129 -6.229 1.791
22 HD2 PHE 4 HD2 PHE 4 14.074 -3.166 -0.444
23 HE1 PHE 4 HE1 PHE 4 13.972 -7.400 2.168
24 HE2 PHE 4 HE2 PHE 4 11.916 -4.332 -0.050
25 HZ PHE 4 HZ PHE 4 11.862 -6.450 1.252
26 H THR 5 H THR 5 18.505 -1.752 -0.241
27 HA THR 5 HA THR 5 21.159 -2.190 1.073
28 HB THR 5 HB THR 5 22.109 -2.664 -1.208
29 HG1 THR 5 HG1 THR 5 20.515 -1.955 -2.565
30 HG21 THR 5 HG21 THR 5 21.488 -4.983 -1.300
31 HG22 THR 5 HG22 THR 5 20.007 -4.693 -0.370
32 HG23 THR 5 HG23 THR 5 21.596 -4.500 0.400
33 H SER 6 H SER 6 19.150 0.168 0.359
34 HA SER 6 HA SER 6 20.854 1.877 -1.328
35 HB2 SER 6 HB2 SER 6 18.322 1.530 -1.562
36 HB3 SER 6 HB3 SER 6 18.155 2.625 -0.180
37 HG SER 6 HG SER 6 18.098 3.656 -2.286
38 H SER 7 H SER 7 22.227 1.415 0.918
39 HA SER 7 HA SER 7 22.283 4.009 2.378
40 HB2 SER 7 HB2 SER 7 22.238 1.260 3.703
41 HB3 SER 7 HB3 SER 7 22.571 2.779 4.541
42 HG SER 7 HG SER 7 20.460 3.493 3.900
43 HA PRO 8 HA PRO 8 26.680 3.500 1.902
44 HB2 PRO 8 HB2 PRO 8 27.704 4.894 4.038
45 HB3 PRO 8 HB3 PRO 8 26.916 5.674 2.634
46 HG2 PRO 8 HG2 PRO 8 25.674 4.982 5.314
47 HG3 PRO 8 HG3 PRO 8 25.592 6.536 4.424
48 HD2 PRO 8 HD2 PRO 8 23.590 4.717 4.289
49 HD3 PRO 8 HD3 PRO 8 24.068 5.657 2.845
50 H ARG 9 H ARG 9 28.467 2.305 2.651
51 HA ARG 9 HA ARG 9 27.894 -0.053 4.177
52 HB2 ARG 9 HB2 ARG 9 30.509 1.199 3.226
53 HB3 ARG 9 HB3 ARG 9 30.448 -0.347 4.059
54 HG2 ARG 9 HG2 ARG 9 29.033 0.233 1.418
55 HG3 ARG 9 HG3 ARG 9 30.592 -0.574 1.607
56 HD2 ARG 9 HD2 ARG 9 29.356 -2.275 3.124
57 HD3 ARG 9 HD3 ARG 9 27.864 -1.559 2.520
58 HE ARG 9 HE ARG 9 28.194 -2.550 0.441
59 HH11 ARG 9 HH11 ARG 9 31.139 -3.022 2.292
60 HH12 ARG 9 HH12 ARG 9 31.768 -4.186 1.159
61 HH21 ARG 9 HH21 ARG 9 29.061 -4.047 -0.953
62 HH22 ARG 9 HH22 ARG 9 30.620 -4.745 -0.623
63 H GLY 10 H GLY 10 29.531 2.926 5.170
64 HA2 GLY 10 HA2 GLY 10 30.352 3.651 7.212
65 HA3 GLY 10 HA3 GLY 10 28.950 2.835 7.899
66 H ASP 11 H ASP 11 29.701 1.791 9.657
67 HA ASP 11 HA ASP 11 31.490 -0.485 9.253
68 HB2 ASP 11 HB2 ASP 11 32.973 -0.047 11.068
69 HB3 ASP 11 HB3 ASP 11 33.046 1.318 9.970
70 H LYS 12 H LYS 12 31.493 -1.955 11.153
71 HA LYS 12 HA LYS 12 28.739 -2.433 11.939
72 HB2 LYS 12 HB2 LYS 12 30.485 -4.161 11.134
73 HB3 LYS 12 HB3 LYS 12 31.151 -4.087 12.756
74 HG2 LYS 12 HG2 LYS 12 29.663 -5.890 12.916
75 HG3 LYS 12 HG3 LYS 12 28.698 -4.569 13.557
76 HD2 LYS 12 HD2 LYS 12 27.237 -5.718 12.102
77 HD3 LYS 12 HD3 LYS 12 27.738 -4.311 11.156
78 HE2 LYS 12 HE2 LYS 12 29.515 -5.762 10.073
79 HE3 LYS 12 HE3 LYS 12 28.881 -7.138 10.979
80 HZ1 LYS 12 HZ1 LYS 12 27.950 -7.066 8.750
81 HZ2 LYS 12 HZ2 LYS 12 27.358 -5.564 8.970
82 HZ3 LYS 12 HZ3 LYS 12 26.748 -6.818 9.823
83 H ALA 13 H ALA 13 28.504 -0.499 13.194
84 HA ALA 13 HA ALA 13 29.680 0.031 15.691
85 HB1 ALA 13 HB1 ALA 13 27.723 1.495 16.003
86 HB2 ALA 13 HB2 ALA 13 28.332 1.601 14.341
87 HB3 ALA 13 HB3 ALA 13 26.864 0.656 14.699
88 H ALA 14 H ALA 14 27.814 -2.701 15.109
89 HA ALA 14 HA ALA 14 26.246 -2.950 17.488
90 HB1 ALA 14 HB1 ALA 14 25.859 -5.217 16.635
91 HB2 ALA 14 HB2 ALA 14 25.727 -4.030 15.327
92 HB3 ALA 14 HB3 ALA 14 27.190 -5.034 15.474
93 H TYR 15 H TYR 15 28.358 -2.214 18.745
94 HA TYR 15 HA TYR 15 29.639 -4.631 19.960
95 HB2 TYR 15 HB2 TYR 15 31.072 -3.164 18.450
96 HB3 TYR 15 HB3 TYR 15 30.924 -1.900 19.655
97 HD1 TYR 15 HD1 TYR 15 32.038 -5.440 19.122
98 HD2 TYR 15 HD2 TYR 15 32.434 -1.881 21.531
99 HE1 TYR 15 HE1 TYR 15 33.964 -6.467 20.331
100 HE2 TYR 15 HE2 TYR 15 34.353 -2.908 22.738
101 HH TYR 15 HH TYR 15 35.703 -4.748 22.955
102 H ASP 16 H ASP 16 27.155 -3.420 20.784
103 HA ASP 16 HA ASP 16 26.008 -2.575 22.531
104 HB2 ASP 16 HB2 ASP 16 26.885 -4.773 23.319
105 HB3 ASP 16 HB3 ASP 16 28.173 -3.925 24.173
106 H ILE 17 H ILE 17 27.550 -0.652 21.434
107 HA ILE 17 HA ILE 17 28.270 1.189 23.681
108 HB ILE 17 HB ILE 17 30.275 0.330 22.647
109 HG12 ILE 17 HG12 ILE 17 29.801 3.223 21.801
110 HG13 ILE 17 HG13 ILE 17 30.181 2.682 23.439
111 HG21 ILE 17 HG21 ILE 17 30.867 0.629 20.306
112 HG22 ILE 17 HG22 ILE 17 29.357 -0.257 20.388
113 HG23 ILE 17 HG23 ILE 17 29.343 1.464 19.969
114 HD11 ILE 17 HD11 ILE 17 31.983 2.501 20.992
115 HD12 ILE 17 HD12 ILE 17 32.177 3.542 22.407
116 HD13 ILE 17 HD13 ILE 17 32.367 1.785 22.579
117 H LEU 18 H LEU 18 26.755 0.867 20.527
118 HA LEU 18 HA LEU 18 25.397 3.489 20.854
119 HB2 LEU 18 HB2 LEU 18 26.553 2.388 18.257
120 HB3 LEU 18 HB3 LEU 18 25.587 3.846 18.406
121 HG LEU 18 HG LEU 18 28.386 3.492 19.559
122 HD11 LEU 18 HD11 LEU 18 28.339 3.530 17.091
123 HD12 LEU 18 HD12 LEU 18 29.085 4.986 17.757
124 HD13 LEU 18 HD13 LEU 18 27.422 5.054 17.132
125 HD21 LEU 18 HD21 LEU 18 27.239 5.154 20.860
126 HD22 LEU 18 HD22 LEU 18 26.561 5.927 19.404
127 HD23 LEU 18 HD23 LEU 18 28.305 5.996 19.750
128 H ARG 19 H ARG 19 23.394 3.564 19.606
129 HA ARG 19 HA ARG 19 22.333 0.961 18.593
130 HB2 ARG 19 HB2 ARG 19 21.330 1.391 20.825
131 HB3 ARG 19 HB3 ARG 19 20.864 3.010 20.306
132 HG2 ARG 19 HG2 ARG 19 18.918 1.569 20.271
133 HG3 ARG 19 HG3 ARG 19 19.315 2.054 18.630
134 HD2 ARG 19 HD2 ARG 19 20.580 -0.235 18.474
135 HD3 ARG 19 HD3 ARG 19 19.738 -0.634 19.978
136 HE ARG 19 HE ARG 19 18.055 0.348 17.757
137 HH11 ARG 19 HH11 ARG 19 19.417 -2.577 19.134
138 HH12 ARG 19 HH12 ARG 19 18.222 -3.594 18.378
139 HH21 ARG 19 HH21 ARG 19 16.528 -0.996 16.889
140 HH22 ARG 19 HH22 ARG 19 16.629 -2.716 17.140
141 H ARG 20 H ARG 20 21.335 1.082 16.677
142 HA ARG 20 HA ARG 20 21.057 3.728 15.338
143 HB2 ARG 20 HB2 ARG 20 21.118 2.586 13.239
144 HB3 ARG 20 HB3 ARG 20 22.506 2.089 14.203
145 HG2 ARG 20 HG2 ARG 20 21.363 -0.064 14.745
146 HG3 ARG 20 HG3 ARG 20 19.967 0.456 13.790
147 HD2 ARG 20 HD2 ARG 20 21.181 -0.969 12.378
148 HD3 ARG 20 HD3 ARG 20 21.494 0.650 11.779
149 HE ARG 20 HE ARG 20 23.364 -1.117 13.325
150 HH11 ARG 20 HH11 ARG 20 23.086 1.747 11.313
151 HH12 ARG 20 HH12 ARG 20 24.797 1.778 10.987
152 HH21 ARG 20 HH21 ARG 20 25.499 -1.046 12.801
153 HH22 ARG 20 HH22 ARG 20 26.120 0.243 11.808
154 H CYS 21 H CYS 21 19.223 4.297 14.219
155 HA CYS 21 HA CYS 21 16.670 3.030 15.096
156 HB2 CYS 21 HB2 CYS 21 17.055 5.446 15.509
157 HB3 CYS 21 HB3 CYS 21 17.254 5.695 13.767
158 H SER 22 H SER 22 15.685 1.673 13.734
159 HA SER 22 HA SER 22 16.660 1.081 11.092
160 HB2 SER 22 HB2 SER 22 14.735 -0.513 11.037
161 HB3 SER 22 HB3 SER 22 15.788 -0.689 12.447
162 HG SER 22 HG SER 22 13.479 -0.697 12.908
163 H GLN 23 H GLN 23 14.600 3.559 12.053
164 HA GLN 23 HA GLN 23 13.338 3.775 9.338
165 HB2 GLN 23 HB2 GLN 23 12.300 4.622 12.069
166 HB3 GLN 23 HB3 GLN 23 11.532 5.034 10.531
167 HG2 GLN 23 HG2 GLN 23 11.216 2.634 10.015
168 HG3 GLN 23 HG3 GLN 23 11.972 2.192 11.549
169 HE21 GLN 23 HE21 GLN 23 9.092 3.799 10.119
170 HE22 GLN 23 HE22 GLN 23 8.114 3.607 11.568
171 H CYS 24 H CYS 24 15.685 5.190 11.294
172 HA CYS 24 HA CYS 24 15.412 7.856 9.954
173 HB2 CYS 24 HB2 CYS 24 16.443 7.339 12.756
174 HB3 CYS 24 HB3 CYS 24 16.151 8.896 11.993
175 H GLY 25 H GLY 25 17.643 5.271 10.893
176 HA2 GLY 25 HA2 GLY 25 19.722 4.780 10.073
177 HA3 GLY 25 HA3 GLY 25 19.679 6.231 9.075
178 H ILE 26 H ILE 26 19.173 7.519 12.019
179 HA ILE 26 HA ILE 26 21.892 8.375 12.497
180 HB ILE 26 HB ILE 26 19.861 9.738 12.886
181 HG12 ILE 26 HG12 ILE 26 21.522 9.438 15.416
182 HG13 ILE 26 HG13 ILE 26 22.055 10.256 13.946
183 HG21 ILE 26 HG21 ILE 26 19.368 7.965 15.322
184 HG22 ILE 26 HG22 ILE 26 18.467 9.423 14.878
185 HG23 ILE 26 HG23 ILE 26 18.382 7.999 13.854
186 HD11 ILE 26 HD11 ILE 26 20.161 11.866 14.181
187 HD12 ILE 26 HD12 ILE 26 19.723 11.087 15.723
188 HD13 ILE 26 HD13 ILE 26 21.288 11.891 15.552
189 H LEU 27 H LEU 27 23.153 8.033 14.427
190 HA LEU 27 HA LEU 27 22.575 5.568 16.013
191 HB2 LEU 27 HB2 LEU 27 25.269 6.538 14.954
192 HB3 LEU 27 HB3 LEU 27 25.076 5.413 16.285
193 HG LEU 27 HG LEU 27 23.792 3.884 14.704
194 HD11 LEU 27 HD11 LEU 27 24.484 4.088 12.289
195 HD12 LEU 27 HD12 LEU 27 25.103 5.715 12.639
196 HD13 LEU 27 HD13 LEU 27 23.371 5.351 12.793
197 HD21 LEU 27 HD21 LEU 27 26.118 3.498 15.479
198 HD22 LEU 27 HD22 LEU 27 26.725 4.443 14.101
199 HD23 LEU 27 HD23 LEU 27 25.857 2.915 13.832
200 H LEU 28 H LEU 28 22.520 5.881 18.150
201 HA LEU 28 HA LEU 28 23.760 8.321 19.376
202 HB2 LEU 28 HB2 LEU 28 21.081 7.060 20.099
203 HB3 LEU 28 HB3 LEU 28 21.874 8.335 20.983
204 HG LEU 28 HG LEU 28 20.163 9.386 19.906
205 HD11 LEU 28 HD11 LEU 28 22.418 9.931 17.962
206 HD12 LEU 28 HD12 LEU 28 22.357 10.561 19.621
207 HD13 LEU 28 HD13 LEU 28 21.102 11.007 18.448
208 HD21 LEU 28 HD21 LEU 28 20.850 8.099 17.252
209 HD22 LEU 28 HD22 LEU 28 19.533 9.235 17.583
210 HD23 LEU 28 HD23 LEU 28 19.520 7.627 18.325
211 HA PRO 29 HA PRO 29 25.535 5.274 22.084
212 HB2 PRO 29 HB2 PRO 29 26.207 6.715 24.318
213 HB3 PRO 29 HB3 PRO 29 27.039 6.858 22.745
214 HG2 PRO 29 HG2 PRO 29 24.862 8.641 23.859
215 HG3 PRO 29 HG3 PRO 29 26.394 9.121 23.071
216 HD2 PRO 29 HD2 PRO 29 24.022 9.042 21.718
217 HD3 PRO 29 HD3 PRO 29 25.566 8.602 20.933
218 H LEU 30 H LEU 30 23.620 7.279 24.365
219 HA LEU 30 HA LEU 30 21.743 5.164 24.997
220 HB2 LEU 30 HB2 LEU 30 24.287 5.256 26.439
221 HB3 LEU 30 HB3 LEU 30 22.963 5.532 27.556
222 HG LEU 30 HG LEU 30 22.860 3.197 25.619
223 HD11 LEU 30 HD11 LEU 30 24.983 3.077 26.932
224 HD12 LEU 30 HD12 LEU 30 23.849 1.776 27.293
225 HD13 LEU 30 HD13 LEU 30 24.027 3.132 28.424
226 HD21 LEU 30 HD21 LEU 30 20.772 3.830 26.818
227 HD22 LEU 30 HD22 LEU 30 21.628 3.666 28.368
228 HD23 LEU 30 HD23 LEU 30 21.385 2.246 27.328
229 HA PRO 31 HA PRO 31 20.527 8.840 27.663
230 HB2 PRO 31 HB2 PRO 31 22.053 11.089 28.020
231 HB3 PRO 31 HB3 PRO 31 22.186 9.611 29.020
232 HG2 PRO 31 HG2 PRO 31 23.913 10.437 26.680
233 HG3 PRO 31 HG3 PRO 31 24.427 9.798 28.268
234 HD2 PRO 31 HD2 PRO 31 24.235 8.198 26.070
235 HD3 PRO 31 HD3 PRO 31 23.832 7.612 27.706
236 H ILE 32 H ILE 32 22.423 10.059 24.831
237 HA ILE 32 HA ILE 32 20.421 12.026 24.099
238 HB ILE 32 HB ILE 32 22.542 10.779 22.308
239 HG12 ILE 32 HG12 ILE 32 23.426 13.333 22.899
240 HG13 ILE 32 HG13 ILE 32 22.667 12.913 24.423
241 HG21 ILE 32 HG21 ILE 32 20.944 13.368 22.047
242 HG22 ILE 32 HG22 ILE 32 22.281 12.865 20.988
243 HG23 ILE 32 HG23 ILE 32 20.792 11.935 21.009
244 HD11 ILE 32 HD11 ILE 32 24.892 11.408 22.972
245 HD12 ILE 32 HD12 ILE 32 25.033 12.344 24.473
246 HD13 ILE 32 HD13 ILE 32 24.119 10.824 24.461
247 H LEU 33 H LEU 33 20.684 8.562 23.546
248 HA LEU 33 HA LEU 33 18.823 8.295 21.415
249 HB2 LEU 33 HB2 LEU 33 20.309 6.467 22.311
250 HB3 LEU 33 HB3 LEU 33 19.281 6.399 23.740
251 HG LEU 33 HG LEU 33 17.338 5.735 22.324
252 HD11 LEU 33 HD11 LEU 33 17.709 4.932 20.041
253 HD12 LEU 33 HD12 LEU 33 19.401 5.458 20.093
254 HD13 LEU 33 HD13 LEU 33 18.079 6.653 20.128
255 HD21 LEU 33 HD21 LEU 33 18.112 3.446 21.930
256 HD22 LEU 33 HD22 LEU 33 18.706 4.068 23.477
257 HD23 LEU 33 HD23 LEU 33 19.803 3.982 22.088
258 H ASN 34 H ASN 34 18.208 8.988 24.871
259 HA ASN 34 HA ASN 34 15.431 8.323 24.867
260 HB2 ASN 34 HB2 ASN 34 16.962 10.441 26.443
261 HB3 ASN 34 HB3 ASN 34 15.287 10.000 26.743
262 HD21 ASN 34 HD21 ASN 34 14.890 7.549 27.126
263 HD22 ASN 34 HD22 ASN 34 16.107 6.766 28.122
264 H GLN 35 H GLN 35 17.065 11.315 23.750
265 HA GLN 35 HA GLN 35 14.627 12.782 23.246
266 HB2 GLN 35 HB2 GLN 35 16.902 13.817 23.491
267 HB3 GLN 35 HB3 GLN 35 17.354 13.119 21.928
268 HG2 GLN 35 HG2 GLN 35 15.404 14.389 20.888
269 HG3 GLN 35 HG3 GLN 35 15.131 15.147 22.456
270 HE21 GLN 35 HE21 GLN 35 17.194 15.060 19.584
271 HE22 GLN 35 HE22 GLN 35 18.145 16.468 20.029
272 H HIS 36 H HIS 36 16.740 10.738 21.111
273 HA HIS 36 HA HIS 36 15.047 11.090 18.809
274 HB2 HIS 36 HB2 HIS 36 17.402 10.194 18.723
275 HB3 HIS 36 HB3 HIS 36 16.791 8.659 19.354
276 HD1 HIS 36 HD1 HIS 36 16.427 10.965 16.279
277 HD2 HIS 36 HD2 HIS 36 15.409 7.105 17.589
278 HE1 HIS 36 HE1 HIS 36 15.421 9.797 14.272
279 H GLN 37 H GLN 37 15.085 8.566 21.371
280 HA GLN 37 HA GLN 37 13.127 6.892 20.314
281 HB2 GLN 37 HB2 GLN 37 14.636 6.426 22.259
282 HB3 GLN 37 HB3 GLN 37 13.641 7.483 23.258
283 HG2 GLN 37 HG2 GLN 37 13.073 5.150 23.650
284 HG3 GLN 37 HG3 GLN 37 11.697 5.974 22.921
285 HE21 GLN 37 HE21 GLN 37 14.653 4.138 21.803
286 HE22 GLN 37 HE22 GLN 37 13.763 3.230 20.591
287 H GLU 38 H GLU 38 12.520 9.675 22.610
288 HA GLU 38 HA GLU 38 9.677 9.266 22.502
289 HB2 GLU 38 HB2 GLU 38 9.398 11.335 23.600
290 HB3 GLU 38 HB3 GLU 38 10.760 10.489 24.322
291 HG2 GLU 38 HG2 GLU 38 12.326 11.977 23.086
292 HG3 GLU 38 HG3 GLU 38 10.957 12.825 22.367
293 H LYS 39 H LYS 39 11.781 11.343 20.469
294 HA LYS 39 HA LYS 39 9.569 12.611 19.111
295 HB2 LYS 39 HB2 LYS 39 11.989 13.402 19.448
296 HB3 LYS 39 HB3 LYS 39 12.438 12.388 18.089
297 HG2 LYS 39 HG2 LYS 39 10.276 14.546 17.982
298 HG3 LYS 39 HG3 LYS 39 11.969 14.910 17.720
299 HD2 LYS 39 HD2 LYS 39 10.344 13.000 16.003
300 HD3 LYS 39 HD3 LYS 39 10.624 14.683 15.622
301 HE2 LYS 39 HE2 LYS 39 12.868 12.642 15.976
302 HE3 LYS 39 HE3 LYS 39 12.101 13.002 14.429
303 HZ1 LYS 39 HZ1 LYS 39 12.807 15.316 14.663
304 HZ2 LYS 39 HZ2 LYS 39 14.098 14.325 14.705
305 HZ3 LYS 39 HZ3 LYS 39 13.548 14.999 16.085
306 H CYS 40 H CYS 40 11.721 9.947 18.161
307 HA CYS 40 HA CYS 40 10.627 9.361 15.614
308 HB2 CYS 40 HB2 CYS 40 12.843 8.761 16.703
309 HB3 CYS 40 HB3 CYS 40 12.003 7.495 17.595
310 H ARG 41 H ARG 41 9.882 7.973 18.870
311 HA ARG 41 HA ARG 41 7.738 6.252 18.066
312 HB2 ARG 41 HB2 ARG 41 8.920 6.096 20.188
313 HB3 ARG 41 HB3 ARG 41 8.292 7.655 20.715
314 HG2 ARG 41 HG2 ARG 41 6.473 5.292 20.096
315 HG3 ARG 41 HG3 ARG 41 7.274 5.508 21.650
316 HD2 ARG 41 HD2 ARG 41 6.194 7.888 21.671
317 HD3 ARG 41 HD3 ARG 41 5.139 7.258 20.409
318 HE ARG 41 HE ARG 41 4.065 5.880 21.942
319 HH11 ARG 41 HH11 ARG 41 6.841 7.283 23.572
320 HH12 ARG 41 HH12 ARG 41 6.289 6.765 25.141
321 HH21 ARG 41 HH21 ARG 41 3.433 5.253 23.977
322 HH22 ARG 41 HH22 ARG 41 4.418 5.647 25.356
323 H TRP 42 H TRP 42 7.595 9.667 19.247
324 HA TRP 42 HA TRP 42 4.759 9.872 19.058
325 HB2 TRP 42 HB2 TRP 42 6.296 11.410 20.300
326 HB3 TRP 42 HB3 TRP 42 6.787 12.117 18.763
327 HD1 TRP 42 HD1 TRP 42 4.106 12.152 21.381
328 HE1 TRP 42 HE1 TRP 42 2.286 13.883 20.850
329 HE3 TRP 42 HE3 TRP 42 5.528 13.394 16.609
330 HZ2 TRP 42 HZ2 TRP 42 1.485 15.514 18.613
331 HZ3 TRP 42 HZ3 TRP 42 4.184 15.015 15.289
332 HH2 TRP 42 HH2 TRP 42 2.164 16.072 16.273
333 H LEU 43 H LEU 43 7.277 10.664 16.592
334 HA LEU 43 HA LEU 43 5.381 11.418 14.553
335 HB2 LEU 43 HB2 LEU 43 8.214 10.318 14.422
336 HB3 LEU 43 HB3 LEU 43 7.282 10.727 12.986
337 HG LEU 43 HG LEU 43 8.055 12.701 15.175
338 HD11 LEU 43 HD11 LEU 43 9.046 12.355 12.308
339 HD12 LEU 43 HD12 LEU 43 9.949 11.909 13.771
340 HD13 LEU 43 HD13 LEU 43 9.562 13.613 13.450
341 HD21 LEU 43 HD21 LEU 43 5.969 13.440 14.116
342 HD22 LEU 43 HD22 LEU 43 6.654 13.145 12.502
343 HD23 LEU 43 HD23 LEU 43 7.308 14.429 13.543
344 H ALA 44 H ALA 44 6.879 8.186 15.257
345 HA ALA 44 HA ALA 44 5.596 6.821 13.169
346 HB1 ALA 44 HB1 ALA 44 6.418 5.777 15.911
347 HB2 ALA 44 HB2 ALA 44 6.084 4.787 14.475
348 HB3 ALA 44 HB3 ALA 44 7.459 5.906 14.473
349 H SER 45 H SER 45 4.258 7.483 16.465
350 HA SER 45 HA SER 45 1.787 6.041 15.889
351 HB2 SER 45 HB2 SER 45 0.977 6.928 17.983
352 HB3 SER 45 HB3 SER 45 2.600 6.249 18.169
353 HG SER 45 HG SER 45 2.313 8.292 19.224
354 H SER 46 H SER 46 2.794 9.449 15.557
355 HA SER 46 HA SER 46 0.146 10.416 14.871
356 HB2 SER 46 HB2 SER 46 2.031 11.767 15.851
357 HB3 SER 46 HB3 SER 46 2.830 11.714 14.270
358 HG SER 46 HG SER 46 0.933 12.748 13.405
359 H LYS 47 H LYS 47 2.711 8.971 12.968
360 HA LYS 47 HA LYS 47 1.912 9.893 10.372
361 HB2 LYS 47 HB2 LYS 47 4.194 9.140 11.154
362 HB3 LYS 47 HB3 LYS 47 3.621 7.480 11.118
363 HG2 LYS 47 HG2 LYS 47 4.988 8.002 9.201
364 HG3 LYS 47 HG3 LYS 47 3.352 7.679 8.641
365 HD2 LYS 47 HD2 LYS 47 2.940 10.081 8.311
366 HD3 LYS 47 HD3 LYS 47 4.462 10.481 9.118
367 HE2 LYS 47 HE2 LYS 47 4.765 10.719 6.738
368 HE3 LYS 47 HE3 LYS 47 5.746 9.380 7.330
369 HZ1 LYS 47 HZ1 LYS 47 4.052 7.844 6.483
370 HZ2 LYS 47 HZ2 LYS 47 4.595 8.793 5.279
371 HZ3 LYS 47 HZ3 LYS 47 3.131 9.084 5.944
372 H GLY 48 H GLY 48 -0.430 9.095 11.396
373 HA2 GLY 48 HA2 GLY 48 -1.275 6.414 10.657
374 HA3 GLY 48 HA3 GLY 48 -2.297 7.744 11.194
375 H LYS 49 H LYS 49 -0.176 7.251 8.358
376 HA LYS 49 HA LYS 49 -0.373 7.826 6.157
377 HB2 LYS 49 HB2 LYS 49 -1.521 5.562 6.604
378 HB3 LYS 49 HB3 LYS 49 -3.023 6.359 6.225
379 HG2 LYS 49 HG2 LYS 49 -0.536 6.146 4.462
380 HG3 LYS 49 HG3 LYS 49 -1.930 5.096 4.333
381 HD2 LYS 49 HD2 LYS 49 -2.032 8.088 3.733
382 HD3 LYS 49 HD3 LYS 49 -1.647 6.856 2.564
383 HE2 LYS 49 HE2 LYS 49 -3.938 7.496 2.300
384 HE3 LYS 49 HE3 LYS 49 -3.830 5.802 2.774
385 HZ1 LYS 49 HZ1 LYS 49 -4.564 6.378 4.963
386 HZ2 LYS 49 HZ2 LYS 49 -5.581 7.146 3.946
387 HZ3 LYS 49 HZ3 LYS 49 -4.392 7.981 4.712
388 H GLN 50 H GLN 50 -0.550 10.063 6.933
389 HA GLN 50 HA GLN 50 -2.963 11.438 5.849
390 HB2 GLN 50 HB2 GLN 50 -3.001 12.905 7.817
391 HB3 GLN 50 HB3 GLN 50 -3.342 11.225 8.198
392 HG2 GLN 50 HG2 GLN 50 -1.129 10.906 9.175
393 HG3 GLN 50 HG3 GLN 50 -0.609 12.503 8.636
394 HE21 GLN 50 HE21 GLN 50 -0.719 14.095 10.214
395 HE22 GLN 50 HE22 GLN 50 -1.813 14.032 11.589
396 H VAL 51 H VAL 51 -0.828 11.227 4.264
397 HA VAL 51 HA VAL 51 0.476 13.925 4.271
398 HB VAL 51 HB VAL 51 2.511 12.865 3.342
399 HG11 VAL 51 HG11 VAL 51 1.802 11.797 6.101
400 HG12 VAL 51 HG12 VAL 51 3.425 12.096 5.434
401 HG13 VAL 51 HG13 VAL 51 2.334 13.454 5.745
402 HG21 VAL 51 HG21 VAL 51 1.489 10.708 2.560
403 HG22 VAL 51 HG22 VAL 51 2.935 10.492 3.550
404 HG23 VAL 51 HG23 VAL 51 1.326 10.202 4.251
405 H ARG 52 H ARG 52 1.217 14.700 2.237
406 HA ARG 52 HA ARG 52 -0.688 14.239 0.069
407 HB2 ARG 52 HB2 ARG 52 0.079 16.492 0.918
408 HB3 ARG 52 HB3 ARG 52 1.648 16.188 0.169
409 HG2 ARG 52 HG2 ARG 52 0.471 15.984 -2.063
410 HG3 ARG 52 HG3 ARG 52 -1.060 16.333 -1.252
411 HD2 ARG 52 HD2 ARG 52 -0.242 18.564 -0.609
412 HD3 ARG 52 HD3 ARG 52 1.363 18.179 -1.227
413 HE ARG 52 HE ARG 52 0.670 18.497 -3.413
414 HH11 ARG 52 HH11 ARG 52 -2.203 18.682 -1.405
415 HH12 ARG 52 HH12 ARG 52 -3.184 19.267 -2.722
416 HH21 ARG 52 HH21 ARG 52 -0.639 19.232 -5.032
417 HH22 ARG 52 HH22 ARG 52 -2.315 19.569 -4.717
418 H ASN 53 H ASN 53 0.388 11.933 0.177
419 HA ASN 53 HA ASN 53 2.182 11.694 -2.220
420 HB2 ASN 53 HB2 ASN 53 2.415 10.231 0.446
421 HB3 ASN 53 HB3 ASN 53 3.246 9.727 -1.016
422 HD21 ASN 53 HD21 ASN 53 5.029 10.942 -1.808
423 HD22 ASN 53 HD22 ASN 53 5.764 12.193 -0.817
424 H PHE 54 H PHE 54 -0.843 10.917 -1.018
425 HA PHE 54 HA PHE 54 -1.177 8.808 -3.070
426 HB2 PHE 54 HB2 PHE 54 -0.791 7.739 -0.807
427 HB3 PHE 54 HB3 PHE 54 -2.273 8.498 -0.249
428 HD1 PHE 54 HD1 PHE 54 -4.490 7.808 -1.274
429 HD2 PHE 54 HD2 PHE 54 -0.787 5.838 -2.289
430 HE1 PHE 54 HE1 PHE 54 -5.762 5.934 -2.292
431 HE2 PHE 54 HE2 PHE 54 -2.065 3.960 -3.295
432 HZ PHE 54 HZ PHE 54 -4.553 4.010 -3.307
433 H SER 55 H SER 55 -2.518 9.720 -4.426
434 HA SER 55 HA SER 55 -5.016 11.112 -3.585
435 HB2 SER 55 HB2 SER 55 -2.876 12.267 -5.423
436 HB3 SER 55 HB3 SER 55 -4.501 12.938 -5.197
437 HG SER 55 HG SER 55 -2.861 13.928 -3.835
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 30.569 5.739 34.051
2 H2 GLY 1 H2 GLY 1 30.264 5.766 35.667
3 H3 GLY 1 H3 GLY 1 29.133 5.196 34.628
4 HA2 GLY 1 HA2 GLY 1 30.047 3.283 35.578
5 HA3 GLY 1 HA3 GLY 1 30.737 3.424 33.951
6 H SER 2 H SER 2 32.914 3.631 33.745
7 HA SER 2 HA SER 2 34.660 4.399 35.998
8 HB2 SER 2 HB2 SER 2 34.059 1.937 36.276
9 HB3 SER 2 HB3 SER 2 34.948 1.620 34.782
10 HG SER 2 HG SER 2 36.801 2.554 35.827
11 H GLU 3 H GLU 3 33.937 5.252 33.286
12 HA GLU 3 HA GLU 3 35.728 4.652 31.216
13 HB2 GLU 3 HB2 GLU 3 34.187 7.223 31.791
14 HB3 GLU 3 HB3 GLU 3 34.965 6.834 30.266
15 HG2 GLU 3 HG2 GLU 3 32.608 6.433 30.058
16 HG3 GLU 3 HG3 GLU 3 33.477 4.907 29.931
17 H PHE 4 H PHE 4 37.452 5.810 30.272
18 HA PHE 4 HA PHE 4 39.044 7.593 32.079
19 HB2 PHE 4 HB2 PHE 4 41.027 6.396 31.505
20 HB3 PHE 4 HB3 PHE 4 39.847 5.247 32.101
21 HD1 PHE 4 HD1 PHE 4 38.762 3.611 30.545
22 HD2 PHE 4 HD2 PHE 4 41.816 6.343 29.193
23 HE1 PHE 4 HE1 PHE 4 39.046 2.274 28.470
24 HE2 PHE 4 HE2 PHE 4 42.102 5.000 27.125
25 HZ PHE 4 HZ PHE 4 40.714 2.966 26.758
26 H THR 5 H THR 5 37.390 7.633 29.281
27 HA THR 5 HA THR 5 38.867 9.885 28.157
28 HB THR 5 HB THR 5 39.972 7.956 27.083
29 HG1 THR 5 HG1 THR 5 39.935 9.659 25.795
30 HG21 THR 5 HG21 THR 5 38.824 6.540 25.466
31 HG22 THR 5 HG22 THR 5 37.256 7.258 25.889
32 HG23 THR 5 HG23 THR 5 38.153 6.288 27.082
33 H SER 6 H SER 6 37.553 11.094 26.651
34 HA SER 6 HA SER 6 34.621 10.721 27.114
35 HB2 SER 6 HB2 SER 6 35.822 12.832 27.887
36 HB3 SER 6 HB3 SER 6 36.054 13.222 26.175
37 HG SER 6 HG SER 6 33.678 13.081 27.706
38 H SER 7 H SER 7 33.195 11.476 25.353
39 HA SER 7 HA SER 7 34.199 10.910 22.594
40 HB2 SER 7 HB2 SER 7 31.743 9.632 23.839
41 HB3 SER 7 HB3 SER 7 32.264 9.484 22.149
42 HG SER 7 HG SER 7 32.968 7.706 23.389
43 HA PRO 8 HA PRO 8 31.350 14.635 22.657
44 HB2 PRO 8 HB2 PRO 8 33.073 16.630 22.017
45 HB3 PRO 8 HB3 PRO 8 32.951 15.989 23.683
46 HG2 PRO 8 HG2 PRO 8 34.965 15.202 21.543
47 HG3 PRO 8 HG3 PRO 8 35.294 15.721 23.228
48 HD2 PRO 8 HD2 PRO 8 35.138 13.086 22.533
49 HD3 PRO 8 HD3 PRO 8 34.542 13.689 24.109
50 H ARG 9 H ARG 9 33.108 12.843 20.456
51 HA ARG 9 HA ARG 9 31.829 14.069 18.047
52 HB2 ARG 9 HB2 ARG 9 34.690 13.017 18.283
53 HB3 ARG 9 HB3 ARG 9 33.894 13.458 16.771
54 HG2 ARG 9 HG2 ARG 9 33.645 15.804 17.595
55 HG3 ARG 9 HG3 ARG 9 34.561 15.364 19.052
56 HD2 ARG 9 HD2 ARG 9 36.478 14.669 17.658
57 HD3 ARG 9 HD3 ARG 9 35.594 15.079 16.191
58 HE ARG 9 HE ARG 9 36.928 16.903 18.053
59 HH11 ARG 9 HH11 ARG 9 34.521 16.809 15.500
60 HH12 ARG 9 HH12 ARG 9 34.727 18.499 15.128
61 HH21 ARG 9 HH21 ARG 9 37.143 19.041 17.513
62 HH22 ARG 9 HH22 ARG 9 36.173 19.721 16.240
63 H GLY 10 H GLY 10 31.845 12.498 16.194
64 HA2 GLY 10 HA2 GLY 10 30.453 10.117 16.763
65 HA3 GLY 10 HA3 GLY 10 31.245 10.483 15.234
66 H ASP 11 H ASP 11 30.957 7.965 16.798
67 HA ASP 11 HA ASP 11 33.496 7.245 17.946
68 HB2 ASP 11 HB2 ASP 11 31.007 5.673 17.198
69 HB3 ASP 11 HB3 ASP 11 32.397 4.944 17.991
70 H LYS 12 H LYS 12 34.610 5.230 17.388
71 HA LYS 12 HA LYS 12 35.486 5.261 14.538
72 HB2 LYS 12 HB2 LYS 12 37.526 4.099 15.529
73 HB3 LYS 12 HB3 LYS 12 37.274 5.796 15.927
74 HG2 LYS 12 HG2 LYS 12 36.605 5.321 18.165
75 HG3 LYS 12 HG3 LYS 12 36.360 3.608 17.832
76 HD2 LYS 12 HD2 LYS 12 38.349 3.909 19.144
77 HD3 LYS 12 HD3 LYS 12 38.763 3.261 17.551
78 HE2 LYS 12 HE2 LYS 12 39.450 5.525 16.802
79 HE3 LYS 12 HE3 LYS 12 38.982 6.198 18.371
80 HZ1 LYS 12 HZ1 LYS 12 41.110 4.160 17.966
81 HZ2 LYS 12 HZ2 LYS 12 40.686 4.803 19.407
82 HZ3 LYS 12 HZ3 LYS 12 41.372 5.742 18.264
83 H ALA 13 H ALA 13 34.846 2.831 17.059
84 HA ALA 13 HA ALA 13 33.962 0.845 15.042
85 HB1 ALA 13 HB1 ALA 13 36.336 0.430 16.912
86 HB2 ALA 13 HB2 ALA 13 35.628 -0.797 15.840
87 HB3 ALA 13 HB3 ALA 13 36.416 0.627 15.146
88 H ALA 14 H ALA 14 33.495 2.208 18.091
89 HA ALA 14 HA ALA 14 32.768 -0.130 19.618
90 HB1 ALA 14 HB1 ALA 14 32.287 1.531 21.351
91 HB2 ALA 14 HB2 ALA 14 33.821 1.912 20.560
92 HB3 ALA 14 HB3 ALA 14 32.356 2.844 20.158
93 H TYR 15 H TYR 15 31.187 0.115 17.155
94 HA TYR 15 HA TYR 15 28.605 1.193 17.540
95 HB2 TYR 15 HB2 TYR 15 29.507 -1.110 15.776
96 HB3 TYR 15 HB3 TYR 15 27.990 -0.234 15.615
97 HD1 TYR 15 HD2 TYR 15 28.021 2.249 15.110
98 HD2 TYR 15 HD1 TYR 15 31.520 -0.243 14.746
99 HE1 TYR 15 HE2 TYR 15 29.130 4.010 13.728
100 HE2 TYR 15 HE1 TYR 15 32.619 1.512 13.354
101 HH TYR 15 HH TYR 15 32.450 3.595 12.439
102 H ASP 16 H ASP 16 29.882 -1.659 19.010
103 HA ASP 16 HA ASP 16 27.445 -3.126 19.455
104 HB2 ASP 16 HB2 ASP 16 30.080 -3.046 20.978
105 HB3 ASP 16 HB3 ASP 16 28.786 -4.203 21.278
106 H ILE 17 H ILE 17 28.935 -0.412 21.287
107 HA ILE 17 HA ILE 17 26.900 -0.665 23.430
108 HB ILE 17 HB ILE 17 28.979 -0.109 24.246
109 HG12 ILE 17 HG12 ILE 17 26.954 1.162 25.161
110 HG13 ILE 17 HG13 ILE 17 28.569 1.614 25.656
111 HG21 ILE 17 HG21 ILE 17 30.250 0.709 22.448
112 HG22 ILE 17 HG22 ILE 17 29.227 2.157 22.255
113 HG23 ILE 17 HG23 ILE 17 30.268 1.957 23.682
114 HD11 ILE 17 HD11 ILE 17 27.113 3.574 25.288
115 HD12 ILE 17 HD12 ILE 17 28.555 3.610 24.269
116 HD13 ILE 17 HD13 ILE 17 26.985 3.178 23.571
117 H LEU 18 H LEU 18 27.467 1.252 20.530
118 HA LEU 18 HA LEU 18 25.425 3.226 20.975
119 HB2 LEU 18 HB2 LEU 18 26.408 2.130 18.309
120 HB3 LEU 18 HB3 LEU 18 25.567 3.648 18.587
121 HG LEU 18 HG LEU 18 28.416 2.954 19.376
122 HD11 LEU 18 HD11 LEU 18 27.166 5.042 17.540
123 HD12 LEU 18 HD12 LEU 18 28.087 3.606 17.047
124 HD13 LEU 18 HD13 LEU 18 28.892 4.919 17.916
125 HD21 LEU 18 HD21 LEU 18 26.865 5.484 20.045
126 HD22 LEU 18 HD22 LEU 18 28.608 5.235 20.277
127 HD23 LEU 18 HD23 LEU 18 27.473 4.278 21.217
128 H ARG 19 H ARG 19 23.492 3.488 19.719
129 HA ARG 19 HA ARG 19 22.048 1.022 18.820
130 HB2 ARG 19 HB2 ARG 19 21.263 3.067 20.880
131 HB3 ARG 19 HB3 ARG 19 19.993 2.540 19.789
132 HG2 ARG 19 HG2 ARG 19 21.691 0.458 21.188
133 HG3 ARG 19 HG3 ARG 19 20.415 1.278 22.081
134 HD2 ARG 19 HD2 ARG 19 19.890 -0.080 19.408
135 HD3 ARG 19 HD3 ARG 19 19.802 -0.950 20.931
136 HE ARG 19 HE ARG 19 17.909 1.065 19.920
137 HH11 ARG 19 HH11 ARG 19 18.846 -0.782 22.746
138 HH12 ARG 19 HH12 ARG 19 17.348 -0.456 23.573
139 HH21 ARG 19 HH21 ARG 19 16.024 1.469 21.053
140 HH22 ARG 19 HH22 ARG 19 15.803 0.778 22.633
141 H ARG 20 H ARG 20 20.608 1.351 17.146
142 HA ARG 20 HA ARG 20 20.812 3.946 15.685
143 HB2 ARG 20 HB2 ARG 20 21.226 2.849 13.618
144 HB3 ARG 20 HB3 ARG 20 22.424 2.288 14.785
145 HG2 ARG 20 HG2 ARG 20 21.164 0.174 15.088
146 HG3 ARG 20 HG3 ARG 20 19.988 0.693 13.871
147 HD2 ARG 20 HD2 ARG 20 22.973 0.385 13.360
148 HD3 ARG 20 HD3 ARG 20 21.763 -0.865 13.024
149 HE ARG 20 HE ARG 20 20.848 1.429 11.703
150 HH11 ARG 20 HH11 ARG 20 23.662 -0.643 11.416
151 HH12 ARG 20 HH12 ARG 20 23.839 -0.316 9.714
152 HH21 ARG 20 HH21 ARG 20 21.133 1.795 9.528
153 HH22 ARG 20 HH22 ARG 20 22.442 1.026 8.682
154 H CYS 21 H CYS 21 19.066 4.661 14.621
155 HA CYS 21 HA CYS 21 16.482 3.398 15.235
156 HB2 CYS 21 HB2 CYS 21 16.831 5.836 15.383
157 HB3 CYS 21 HB3 CYS 21 17.174 5.882 13.640
158 H SER 22 H SER 22 15.753 1.782 14.031
159 HA SER 22 HA SER 22 16.681 1.037 11.427
160 HB2 SER 22 HB2 SER 22 15.516 -0.377 13.260
161 HB3 SER 22 HB3 SER 22 13.997 0.233 12.578
162 HG SER 22 HG SER 22 14.573 -1.732 11.599
163 H GLN 23 H GLN 23 14.620 3.610 12.251
164 HA GLN 23 HA GLN 23 13.351 3.658 9.545
165 HB2 GLN 23 HB2 GLN 23 11.976 3.439 11.801
166 HB3 GLN 23 HB3 GLN 23 12.309 5.159 11.940
167 HG2 GLN 23 HG2 GLN 23 10.213 5.065 10.932
168 HG3 GLN 23 HG3 GLN 23 11.261 5.366 9.558
169 HE21 GLN 23 HE21 GLN 23 8.571 3.652 10.352
170 HE22 GLN 23 HE22 GLN 23 8.820 2.251 9.318
171 H CYS 24 H CYS 24 15.537 5.369 11.632
172 HA CYS 24 HA CYS 24 15.436 7.780 9.868
173 HB2 CYS 24 HB2 CYS 24 16.419 7.631 12.727
174 HB3 CYS 24 HB3 CYS 24 16.128 9.067 11.761
175 H GLY 25 H GLY 25 17.576 5.218 10.909
176 HA2 GLY 25 HA2 GLY 25 19.642 4.644 10.099
177 HA3 GLY 25 HA3 GLY 25 19.650 6.090 9.091
178 H ILE 26 H ILE 26 19.224 7.568 11.876
179 HA ILE 26 HA ILE 26 21.950 8.283 12.384
180 HB ILE 26 HB ILE 26 19.971 9.732 12.705
181 HG12 ILE 26 HG12 ILE 26 21.575 9.490 15.278
182 HG13 ILE 26 HG13 ILE 26 22.198 10.179 13.774
183 HG21 ILE 26 HG21 ILE 26 18.442 8.064 13.760
184 HG22 ILE 26 HG22 ILE 26 19.414 8.119 15.237
185 HG23 ILE 26 HG23 ILE 26 18.546 9.559 14.680
186 HD11 ILE 26 HD11 ILE 26 21.477 11.951 15.256
187 HD12 ILE 26 HD12 ILE 26 20.410 11.909 13.841
188 HD13 ILE 26 HD13 ILE 26 19.860 11.255 15.404
189 H LEU 27 H LEU 27 23.174 8.018 14.346
190 HA LEU 27 HA LEU 27 22.549 5.619 16.005
191 HB2 LEU 27 HB2 LEU 27 25.297 6.502 15.006
192 HB3 LEU 27 HB3 LEU 27 24.988 5.300 16.247
193 HG LEU 27 HG LEU 27 23.514 4.152 14.352
194 HD11 LEU 27 HD11 LEU 27 25.656 5.585 12.718
195 HD12 LEU 27 HD12 LEU 27 23.916 5.910 12.621
196 HD13 LEU 27 HD13 LEU 27 24.535 4.332 12.137
197 HD21 LEU 27 HD21 LEU 27 25.454 3.141 15.494
198 HD22 LEU 27 HD22 LEU 27 26.554 4.039 14.424
199 HD23 LEU 27 HD23 LEU 27 25.481 2.785 13.761
200 H LEU 28 H LEU 28 22.686 5.889 18.146
201 HA LEU 28 HA LEU 28 23.811 8.411 19.296
202 HB2 LEU 28 HB2 LEU 28 21.179 7.054 20.031
203 HB3 LEU 28 HB3 LEU 28 21.940 8.317 20.961
204 HG LEU 28 HG LEU 28 20.223 9.379 19.908
205 HD11 LEU 28 HD11 LEU 28 21.145 11.050 18.479
206 HD12 LEU 28 HD12 LEU 28 22.497 10.010 18.011
207 HD13 LEU 28 HD13 LEU 28 22.377 10.610 19.678
208 HD21 LEU 28 HD21 LEU 28 19.594 7.674 18.273
209 HD22 LEU 28 HD22 LEU 28 20.929 8.177 17.219
210 HD23 LEU 28 HD23 LEU 28 19.609 9.301 17.573
211 HA PRO 29 HA PRO 29 25.808 5.560 22.042
212 HB2 PRO 29 HB2 PRO 29 26.425 7.098 24.222
213 HB3 PRO 29 HB3 PRO 29 27.197 7.278 22.621
214 HG2 PRO 29 HG2 PRO 29 24.920 8.907 23.770
215 HG3 PRO 29 HG3 PRO 29 26.387 9.488 22.931
216 HD2 PRO 29 HD2 PRO 29 23.982 9.188 21.659
217 HD3 PRO 29 HD3 PRO 29 25.536 8.888 20.829
218 H LEU 30 H LEU 30 23.872 7.475 24.394
219 HA LEU 30 HA LEU 30 22.078 5.270 24.967
220 HB2 LEU 30 HB2 LEU 30 24.589 5.467 26.447
221 HB3 LEU 30 HB3 LEU 30 23.240 5.696 27.546
222 HG LEU 30 HG LEU 30 23.437 3.325 25.642
223 HD11 LEU 30 HD11 LEU 30 24.159 3.518 28.594
224 HD12 LEU 30 HD12 LEU 30 25.297 3.293 27.245
225 HD13 LEU 30 HD13 LEU 30 24.115 2.030 27.617
226 HD21 LEU 30 HD21 LEU 30 21.701 3.822 28.101
227 HD22 LEU 30 HD22 LEU 30 21.739 2.340 27.121
228 HD23 LEU 30 HD23 LEU 30 21.132 3.843 26.419
229 HA PRO 31 HA PRO 31 20.619 8.834 27.667
230 HB2 PRO 31 HB2 PRO 31 21.966 11.213 27.952
231 HB3 PRO 31 HB3 PRO 31 22.213 9.775 28.986
232 HG2 PRO 31 HG2 PRO 31 23.869 10.683 26.629
233 HG3 PRO 31 HG3 PRO 31 24.428 10.092 28.220
234 HD2 PRO 31 HD2 PRO 31 24.341 8.476 26.025
235 HD3 PRO 31 HD3 PRO 31 24.003 7.863 27.665
236 H ILE 32 H ILE 32 22.360 10.188 24.803
237 HA ILE 32 HA ILE 32 20.204 11.985 24.087
238 HB ILE 32 HB ILE 32 22.411 10.916 22.284
239 HG12 ILE 32 HG12 ILE 32 23.112 13.524 22.930
240 HG13 ILE 32 HG13 ILE 32 22.414 12.997 24.449
241 HG21 ILE 32 HG21 ILE 32 20.635 13.388 22.060
242 HG22 ILE 32 HG22 ILE 32 22.015 13.011 21.004
243 HG23 ILE 32 HG23 ILE 32 20.604 11.968 20.992
244 HD11 ILE 32 HD11 ILE 32 24.710 11.699 22.912
245 HD12 ILE 32 HD12 ILE 32 24.818 12.601 24.436
246 HD13 ILE 32 HD13 ILE 32 24.012 11.022 24.395
247 H LEU 33 H LEU 33 20.725 8.562 23.512
248 HA LEU 33 HA LEU 33 18.957 8.100 21.347
249 HB2 LEU 33 HB2 LEU 33 20.508 6.420 22.390
250 HB3 LEU 33 HB3 LEU 33 19.456 6.389 23.804
251 HG LEU 33 HG LEU 33 17.582 5.534 22.357
252 HD11 LEU 33 HD11 LEU 33 18.162 4.517 20.192
253 HD12 LEU 33 HD12 LEU 33 19.806 5.174 20.304
254 HD13 LEU 33 HD13 LEU 33 18.410 6.265 20.138
255 HD21 LEU 33 HD21 LEU 33 20.150 3.947 22.605
256 HD22 LEU 33 HD22 LEU 33 18.563 3.241 22.197
257 HD23 LEU 33 HD23 LEU 33 18.811 4.035 23.759
258 H ASN 34 H ASN 34 18.213 8.689 24.789
259 HA ASN 34 HA ASN 34 15.459 7.986 24.745
260 HB2 ASN 34 HB2 ASN 34 16.821 8.404 26.784
261 HB3 ASN 34 HB3 ASN 34 16.909 10.119 26.374
262 HD21 ASN 34 HD21 ASN 34 14.583 7.499 27.188
263 HD22 ASN 34 HD22 ASN 34 13.401 8.602 27.873
264 H GLN 35 H GLN 35 17.058 11.037 23.761
265 HA GLN 35 HA GLN 35 14.624 12.525 23.308
266 HB2 GLN 35 HB2 GLN 35 16.932 13.511 23.620
267 HB3 GLN 35 HB3 GLN 35 17.346 12.930 22.001
268 HG2 GLN 35 HG2 GLN 35 15.390 14.286 21.101
269 HG3 GLN 35 HG3 GLN 35 15.167 14.940 22.722
270 HE21 GLN 35 HE21 GLN 35 16.885 15.300 19.738
271 HE22 GLN 35 HE22 GLN 35 17.998 16.537 20.304
272 H HIS 36 H HIS 36 16.740 10.535 21.129
273 HA HIS 36 HA HIS 36 15.091 10.997 18.809
274 HB2 HIS 36 HB2 HIS 36 17.431 10.057 18.723
275 HB3 HIS 36 HB3 HIS 36 16.780 8.510 19.284
276 HD1 HIS 36 HD1 HIS 36 16.644 10.895 16.274
277 HD2 HIS 36 HD2 HIS 36 15.209 7.134 17.475
278 HE1 HIS 36 HE1 HIS 36 15.559 9.882 14.224
279 H GLN 37 H GLN 37 15.089 8.337 21.240
280 HA GLN 37 HA GLN 37 13.049 6.765 20.154
281 HB2 GLN 37 HB2 GLN 37 13.947 7.284 23.003
282 HB3 GLN 37 HB3 GLN 37 12.599 6.207 22.674
283 HG2 GLN 37 HG2 GLN 37 15.360 5.865 21.433
284 HG3 GLN 37 HG3 GLN 37 14.835 5.056 22.906
285 HE21 GLN 37 HE21 GLN 37 15.386 4.297 19.810
286 HE22 GLN 37 HE22 GLN 37 14.057 3.180 19.529
287 H GLU 38 H GLU 38 12.499 9.449 22.583
288 HA GLU 38 HA GLU 38 9.671 9.073 22.454
289 HB2 GLU 38 HB2 GLU 38 9.401 11.081 23.658
290 HB3 GLU 38 HB3 GLU 38 10.781 10.213 24.316
291 HG2 GLU 38 HG2 GLU 38 12.325 11.776 23.188
292 HG3 GLU 38 HG3 GLU 38 10.967 12.612 22.435
293 H LYS 39 H LYS 39 11.738 11.215 20.465
294 HA LYS 39 HA LYS 39 9.482 12.525 19.194
295 HB2 LYS 39 HB2 LYS 39 11.865 13.379 19.518
296 HB3 LYS 39 HB3 LYS 39 12.351 12.384 18.157
297 HG2 LYS 39 HG2 LYS 39 10.096 14.445 18.018
298 HG3 LYS 39 HG3 LYS 39 11.771 14.908 17.821
299 HD2 LYS 39 HD2 LYS 39 10.273 12.980 15.998
300 HD3 LYS 39 HD3 LYS 39 10.575 14.669 15.667
301 HE2 LYS 39 HE2 LYS 39 12.766 12.576 16.052
302 HE3 LYS 39 HE3 LYS 39 12.112 13.077 14.492
303 HZ1 LYS 39 HZ1 LYS 39 13.510 14.886 16.391
304 HZ2 LYS 39 HZ2 LYS 39 12.864 15.347 14.963
305 HZ3 LYS 39 HZ3 LYS 39 14.121 14.313 14.992
306 H CYS 40 H CYS 40 11.652 9.896 18.162
307 HA CYS 40 HA CYS 40 10.544 9.426 15.593
308 HB2 CYS 40 HB2 CYS 40 12.766 8.769 16.667
309 HB3 CYS 40 HB3 CYS 40 11.915 7.437 17.451
310 H ARG 41 H ARG 41 9.811 7.908 18.789
311 HA ARG 41 HA ARG 41 7.638 6.226 17.924
312 HB2 ARG 41 HB2 ARG 41 8.314 7.503 20.605
313 HB3 ARG 41 HB3 ARG 41 6.923 6.449 20.376
314 HG2 ARG 41 HG2 ARG 41 8.260 4.548 19.834
315 HG3 ARG 41 HG3 ARG 41 9.716 5.520 19.622
316 HD2 ARG 41 HD2 ARG 41 9.803 4.293 21.731
317 HD3 ARG 41 HD3 ARG 41 9.798 6.040 21.999
318 HE ARG 41 HE ARG 41 7.123 4.918 22.130
319 HH11 ARG 41 HH11 ARG 41 10.017 5.243 24.076
320 HH12 ARG 41 HH12 ARG 41 9.124 5.252 25.572
321 HH21 ARG 41 HH21 ARG 41 6.042 4.941 24.081
322 HH22 ARG 41 HH22 ARG 41 6.936 5.066 25.567
323 H TRP 42 H TRP 42 7.540 9.585 19.255
324 HA TRP 42 HA TRP 42 4.715 9.874 19.085
325 HB2 TRP 42 HB2 TRP 42 6.206 11.379 20.339
326 HB3 TRP 42 HB3 TRP 42 6.884 11.992 18.834
327 HD1 TRP 42 HD1 TRP 42 3.857 12.232 21.092
328 HE1 TRP 42 HE1 TRP 42 2.342 14.175 20.371
329 HE3 TRP 42 HE3 TRP 42 6.158 13.467 16.674
330 HZ2 TRP 42 HZ2 TRP 42 2.121 15.994 18.145
331 HZ3 TRP 42 HZ3 TRP 42 5.250 15.297 15.261
332 HH2 TRP 42 HH2 TRP 42 3.237 16.564 15.982
333 H LEU 43 H LEU 43 7.221 10.703 16.652
334 HA LEU 43 HA LEU 43 5.438 11.692 14.666
335 HB2 LEU 43 HB2 LEU 43 7.882 12.063 14.857
336 HB3 LEU 43 HB3 LEU 43 8.194 10.415 14.334
337 HG LEU 43 HG LEU 43 6.612 12.390 12.629
338 HD11 LEU 43 HD11 LEU 43 8.778 13.421 13.185
339 HD12 LEU 43 HD12 LEU 43 8.724 12.945 11.485
340 HD13 LEU 43 HD13 LEU 43 9.629 11.952 12.653
341 HD21 LEU 43 HD21 LEU 43 6.513 10.068 11.797
342 HD22 LEU 43 HD22 LEU 43 8.281 9.930 11.914
343 HD23 LEU 43 HD23 LEU 43 7.532 11.034 10.742
344 H ALA 44 H ALA 44 6.864 8.372 15.020
345 HA ALA 44 HA ALA 44 5.492 7.230 12.816
346 HB1 ALA 44 HB1 ALA 44 6.474 5.929 15.396
347 HB2 ALA 44 HB2 ALA 44 6.068 5.081 13.887
348 HB3 ALA 44 HB3 ALA 44 7.437 6.208 13.925
349 H SER 45 H SER 45 4.447 7.531 16.237
350 HA SER 45 HA SER 45 1.974 6.098 15.961
351 HB2 SER 45 HB2 SER 45 3.110 6.620 18.115
352 HB3 SER 45 HB3 SER 45 2.717 8.333 17.892
353 HG SER 45 HG SER 45 0.930 6.135 18.257
354 H SER 46 H SER 46 2.753 9.593 15.636
355 HA SER 46 HA SER 46 0.054 10.454 15.094
356 HB2 SER 46 HB2 SER 46 2.707 11.780 14.396
357 HB3 SER 46 HB3 SER 46 1.108 12.549 14.347
358 HG SER 46 HG SER 46 2.547 11.576 16.585
359 H LYS 47 H LYS 47 2.687 9.379 12.980
360 HA LYS 47 HA LYS 47 1.321 9.965 10.478
361 HB2 LYS 47 HB2 LYS 47 3.788 10.011 10.851
362 HB3 LYS 47 HB3 LYS 47 3.787 8.250 10.993
363 HG2 LYS 47 HG2 LYS 47 3.059 8.026 8.664
364 HG3 LYS 47 HG3 LYS 47 2.758 9.769 8.547
365 HD2 LYS 47 HD2 LYS 47 5.152 10.237 8.833
366 HD3 LYS 47 HD3 LYS 47 5.493 8.504 9.041
367 HE2 LYS 47 HE2 LYS 47 4.709 8.030 6.771
368 HE3 LYS 47 HE3 LYS 47 4.201 9.710 6.553
369 HZ1 LYS 47 HZ1 LYS 47 7.016 8.841 6.966
370 HZ2 LYS 47 HZ2 LYS 47 6.528 10.384 6.732
371 HZ3 LYS 47 HZ3 LYS 47 6.374 9.291 5.533
372 H GLY 48 H GLY 48 -0.619 8.817 11.575
373 HA2 GLY 48 HA2 GLY 48 -0.925 5.981 11.510
374 HA3 GLY 48 HA3 GLY 48 -2.221 7.175 11.390
375 H LYS 49 H LYS 49 -1.011 8.328 8.876
376 HA LYS 49 HA LYS 49 -2.268 6.633 6.893
377 HB2 LYS 49 HB2 LYS 49 -2.030 9.220 6.896
378 HB3 LYS 49 HB3 LYS 49 -0.377 8.964 6.365
379 HG2 LYS 49 HG2 LYS 49 -1.566 9.301 4.369
380 HG3 LYS 49 HG3 LYS 49 -1.403 7.543 4.434
381 HD2 LYS 49 HD2 LYS 49 -3.734 7.423 5.421
382 HD3 LYS 49 HD3 LYS 49 -3.846 9.187 5.259
383 HE2 LYS 49 HE2 LYS 49 -3.476 8.952 2.794
384 HE3 LYS 49 HE3 LYS 49 -3.433 7.193 2.985
385 HZ1 LYS 49 HZ1 LYS 49 -5.645 7.951 2.335
386 HZ2 LYS 49 HZ2 LYS 49 -5.760 8.926 3.634
387 HZ3 LYS 49 HZ3 LYS 49 -5.727 7.306 3.829
388 H GLN 50 H GLN 50 -1.390 4.719 6.366
389 HA GLN 50 HA GLN 50 1.423 4.109 6.379
390 HB2 GLN 50 HB2 GLN 50 -0.472 2.457 6.625
391 HB3 GLN 50 HB3 GLN 50 -0.852 2.693 4.922
392 HG2 GLN 50 HG2 GLN 50 0.453 0.667 5.165
393 HG3 GLN 50 HG3 GLN 50 1.417 1.857 4.304
394 HE21 GLN 50 HE21 GLN 50 3.426 0.796 4.904
395 HE22 GLN 50 HE22 GLN 50 4.001 0.860 6.565
396 H VAL 51 H VAL 51 2.949 4.599 4.909
397 HA VAL 51 HA VAL 51 2.350 4.991 2.037
398 HB VAL 51 HB VAL 51 3.590 7.130 1.969
399 HG11 VAL 51 HG11 VAL 51 1.106 7.118 2.025
400 HG12 VAL 51 HG12 VAL 51 1.170 7.365 3.786
401 HG13 VAL 51 HG13 VAL 51 1.827 8.593 2.693
402 HG21 VAL 51 HG21 VAL 51 3.937 8.486 3.970
403 HG22 VAL 51 HG22 VAL 51 3.352 7.169 5.008
404 HG23 VAL 51 HG23 VAL 51 4.866 6.985 4.089
405 H ARG 52 H ARG 52 4.340 5.180 0.723
406 HA ARG 52 HA ARG 52 6.353 3.262 1.323
407 HB2 ARG 52 HB2 ARG 52 5.712 4.157 -0.956
408 HB3 ARG 52 HB3 ARG 52 6.578 5.647 -0.559
409 HG2 ARG 52 HG2 ARG 52 8.673 4.219 -0.221
410 HG3 ARG 52 HG3 ARG 52 7.738 2.825 -0.766
411 HD2 ARG 52 HD2 ARG 52 9.055 3.665 -2.620
412 HD3 ARG 52 HD3 ARG 52 7.350 3.951 -2.946
413 HE ARG 52 HE ARG 52 7.733 6.223 -2.965
414 HH11 ARG 52 HH11 ARG 52 10.558 4.814 -1.422
415 HH12 ARG 52 HH12 ARG 52 11.357 6.356 -1.294
416 HH21 ARG 52 HH21 ARG 52 8.825 8.132 -2.793
417 HH22 ARG 52 HH22 ARG 52 10.408 8.175 -2.073
418 H ASN 53 H ASN 53 8.350 3.352 2.209
419 HA ASN 53 HA ASN 53 9.522 5.844 3.255
420 HB2 ASN 53 HB2 ASN 53 9.456 5.013 5.590
421 HB3 ASN 53 HB3 ASN 53 7.845 5.300 4.950
422 HD21 ASN 53 HD21 ASN 53 6.454 3.423 4.469
423 HD22 ASN 53 HD22 ASN 53 6.870 1.865 5.169
424 H PHE 54 H PHE 54 11.687 5.611 3.971
425 HA PHE 54 HA PHE 54 13.158 3.658 2.417
426 HB2 PHE 54 HB2 PHE 54 14.017 5.883 4.304
427 HB3 PHE 54 HB3 PHE 54 15.138 4.891 3.386
428 HD1 PHE 54 HD1 PHE 54 14.914 4.799 0.825
429 HD2 PHE 54 HD2 PHE 54 13.070 7.844 3.261
430 HE1 PHE 54 HE1 PHE 54 14.717 6.271 -1.165
431 HE2 PHE 54 HE2 PHE 54 12.874 9.314 1.269
432 HZ PHE 54 HZ PHE 54 13.701 8.533 -0.946
433 H SER 55 H SER 55 14.612 2.125 3.033
434 HA SER 55 HA SER 55 14.291 0.707 5.565
435 HB2 SER 55 HB2 SER 55 16.010 -0.807 4.559
436 HB3 SER 55 HB3 SER 55 14.548 -0.606 3.584
437 HG SER 55 HG SER 55 16.503 -0.417 2.327
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 1.708 8.830 0.935
2 H2 GLY 1 H2 GLY 1 0.425 7.808 0.857
3 H3 GLY 1 H3 GLY 1 0.417 9.205 -0.005
4 HA2 GLY 1 HA2 GLY 1 2.242 6.935 -0.464
5 HA3 GLY 1 HA3 GLY 1 0.844 7.337 -1.460
6 H SER 2 H SER 2 4.182 7.987 -0.822
7 HA SER 2 HA SER 2 4.435 9.570 -3.256
8 HB2 SER 2 HB2 SER 2 3.853 11.265 -1.455
9 HB3 SER 2 HB3 SER 2 5.372 10.838 -0.663
10 HG SER 2 HG SER 2 5.522 12.668 -2.096
11 H GLU 3 H GLU 3 6.787 10.148 -3.614
12 HA GLU 3 HA GLU 3 8.475 7.766 -3.068
13 HB2 GLU 3 HB2 GLU 3 8.868 10.115 -4.963
14 HB3 GLU 3 HB3 GLU 3 9.946 8.728 -4.809
15 HG2 GLU 3 HG2 GLU 3 7.060 8.713 -5.789
16 HG3 GLU 3 HG3 GLU 3 8.515 8.468 -6.755
17 H PHE 4 H PHE 4 8.704 8.297 -0.793
18 HA PHE 4 HA PHE 4 10.153 10.561 0.189
19 HB2 PHE 4 HB2 PHE 4 9.568 7.778 1.206
20 HB3 PHE 4 HB3 PHE 4 10.791 8.742 2.007
21 HD1 PHE 4 HD2 PHE 4 7.318 9.494 0.643
22 HD2 PHE 4 HD1 PHE 4 10.067 9.718 3.966
23 HE1 PHE 4 HE2 PHE 4 5.621 10.715 1.970
24 HE2 PHE 4 HE1 PHE 4 8.354 10.923 5.294
25 HZ PHE 4 HZ PHE 4 6.131 11.434 4.297
26 H THR 5 H THR 5 12.266 10.994 0.487
27 HA THR 5 HA THR 5 14.294 9.613 -1.080
28 HB THR 5 HB THR 5 14.194 12.079 -0.694
29 HG1 THR 5 HG1 THR 5 16.412 12.238 -0.626
30 HG21 THR 5 HG21 THR 5 15.447 11.449 2.018
31 HG22 THR 5 HG22 THR 5 13.802 12.087 1.779
32 HG23 THR 5 HG23 THR 5 15.205 13.050 1.286
33 H SER 6 H SER 6 16.515 9.330 0.176
34 HA SER 6 HA SER 6 16.199 7.731 2.657
35 HB2 SER 6 HB2 SER 6 15.893 6.224 0.631
36 HB3 SER 6 HB3 SER 6 17.584 6.564 0.220
37 HG SER 6 HG SER 6 17.269 4.643 1.510
38 H SER 7 H SER 7 18.538 6.823 3.183
39 HA SER 7 HA SER 7 20.361 9.212 3.203
40 HB2 SER 7 HB2 SER 7 19.655 7.297 5.462
41 HB3 SER 7 HB3 SER 7 20.876 8.581 5.555
42 HG SER 7 HG SER 7 18.821 9.236 6.385
43 HA PRO 8 HA PRO 8 23.571 6.497 1.895
44 HB2 PRO 8 HB2 PRO 8 25.845 7.676 2.885
45 HB3 PRO 8 HB3 PRO 8 24.858 8.382 1.571
46 HG2 PRO 8 HG2 PRO 8 24.759 9.041 4.532
47 HG3 PRO 8 HG3 PRO 8 24.859 10.178 3.147
48 HD2 PRO 8 HD2 PRO 8 22.491 9.592 4.337
49 HD3 PRO 8 HD3 PRO 8 22.598 9.810 2.564
50 H ARG 9 H ARG 9 24.864 4.780 2.505
51 HA ARG 9 HA ARG 9 24.618 3.654 5.185
52 HB2 ARG 9 HB2 ARG 9 26.038 1.851 4.332
53 HB3 ARG 9 HB3 ARG 9 24.681 2.171 3.268
54 HG2 ARG 9 HG2 ARG 9 26.056 3.142 1.584
55 HG3 ARG 9 HG3 ARG 9 27.399 3.411 2.700
56 HD2 ARG 9 HD2 ARG 9 27.880 1.558 1.174
57 HD3 ARG 9 HD3 ARG 9 27.851 1.050 2.870
58 HE ARG 9 HE ARG 9 25.312 0.675 1.428
59 HH11 ARG 9 HH11 ARG 9 28.346 -0.896 2.216
60 HH12 ARG 9 HH12 ARG 9 27.672 -2.493 2.034
61 HH21 ARG 9 HH21 ARG 9 24.515 -1.394 1.228
62 HH22 ARG 9 HH22 ARG 9 25.563 -2.758 1.480
63 H GLY 10 H GLY 10 26.536 2.838 6.370
64 HA2 GLY 10 HA2 GLY 10 29.128 4.012 6.113
65 HA3 GLY 10 HA3 GLY 10 28.237 4.835 7.399
66 H ASP 11 H ASP 11 30.500 3.581 8.083
67 HA ASP 11 HA ASP 11 30.173 0.844 8.994
68 HB2 ASP 11 HB2 ASP 11 32.147 3.025 9.785
69 HB3 ASP 11 HB3 ASP 11 32.258 1.336 10.276
70 H LYS 12 H LYS 12 30.310 0.186 11.252
71 HA LYS 12 HA LYS 12 29.231 1.971 13.340
72 HB2 LYS 12 HB2 LYS 12 27.348 0.575 13.889
73 HB3 LYS 12 HB3 LYS 12 27.237 0.968 12.172
74 HG2 LYS 12 HG2 LYS 12 28.318 -1.309 11.686
75 HG3 LYS 12 HG3 LYS 12 28.205 -1.655 13.415
76 HD2 LYS 12 HD2 LYS 12 26.397 -2.737 12.340
77 HD3 LYS 12 HD3 LYS 12 25.709 -1.392 13.275
78 HE2 LYS 12 HE2 LYS 12 25.343 -0.075 11.300
79 HE3 LYS 12 HE3 LYS 12 26.438 -1.079 10.331
80 HZ1 LYS 12 HZ1 LYS 12 23.824 -2.029 11.407
81 HZ2 LYS 12 HZ2 LYS 12 24.857 -2.903 10.470
82 HZ3 LYS 12 HZ3 LYS 12 24.107 -1.584 9.840
83 H ALA 13 H ALA 13 29.339 0.987 15.495
84 HA ALA 13 HA ALA 13 31.680 -0.753 15.857
85 HB1 ALA 13 HB1 ALA 13 29.703 0.464 17.838
86 HB2 ALA 13 HB2 ALA 13 31.220 -0.381 18.253
87 HB3 ALA 13 HB3 ALA 13 31.274 1.151 17.350
88 H ALA 14 H ALA 14 28.159 -1.029 16.586
89 HA ALA 14 HA ALA 14 26.877 -2.720 17.333
90 HB1 ALA 14 HB1 ALA 14 27.059 -3.290 14.957
91 HB2 ALA 14 HB2 ALA 14 28.438 -4.360 15.306
92 HB3 ALA 14 HB3 ALA 14 26.828 -4.732 15.959
93 H TYR 15 H TYR 15 29.050 -2.223 19.031
94 HA TYR 15 HA TYR 15 29.492 -4.870 20.356
95 HB2 TYR 15 HB2 TYR 15 31.343 -2.462 20.270
96 HB3 TYR 15 HB3 TYR 15 31.616 -3.915 21.220
97 HD1 TYR 15 HD2 TYR 15 31.141 -6.183 19.537
98 HD2 TYR 15 HD1 TYR 15 32.936 -2.380 18.549
99 HE1 TYR 15 HE2 TYR 15 32.404 -7.255 17.680
100 HE2 TYR 15 HE1 TYR 15 34.194 -3.457 16.695
101 HH TYR 15 HH TYR 15 34.615 -5.400 15.552
102 H ASP 16 H ASP 16 27.171 -3.514 20.861
103 HA ASP 16 HA ASP 16 25.828 -2.626 22.459
104 HB2 ASP 16 HB2 ASP 16 27.785 -3.998 24.331
105 HB3 ASP 16 HB3 ASP 16 26.135 -3.514 24.722
106 H ILE 17 H ILE 17 27.625 -0.767 21.513
107 HA ILE 17 HA ILE 17 28.117 1.091 23.810
108 HB ILE 17 HB ILE 17 30.172 0.288 22.877
109 HG12 ILE 17 HG12 ILE 17 29.682 3.154 21.948
110 HG13 ILE 17 HG13 ILE 17 30.054 2.644 23.600
111 HG21 ILE 17 HG21 ILE 17 29.415 -0.415 20.624
112 HG22 ILE 17 HG22 ILE 17 29.274 1.290 20.138
113 HG23 ILE 17 HG23 ILE 17 30.848 0.580 20.541
114 HD11 ILE 17 HD11 ILE 17 32.260 1.740 22.727
115 HD12 ILE 17 HD12 ILE 17 31.869 2.503 21.158
116 HD13 ILE 17 HD13 ILE 17 32.057 3.504 22.605
117 H LEU 18 H LEU 18 26.622 0.769 20.669
118 HA LEU 18 HA LEU 18 25.364 3.451 20.894
119 HB2 LEU 18 HB2 LEU 18 26.565 2.256 18.359
120 HB3 LEU 18 HB3 LEU 18 25.638 3.744 18.441
121 HG LEU 18 HG LEU 18 28.383 3.344 19.706
122 HD11 LEU 18 HD11 LEU 18 28.426 3.281 17.238
123 HD12 LEU 18 HD12 LEU 18 29.197 4.741 17.874
124 HD13 LEU 18 HD13 LEU 18 27.559 4.835 17.184
125 HD21 LEU 18 HD21 LEU 18 28.374 5.854 19.808
126 HD22 LEU 18 HD22 LEU 18 27.238 5.082 20.902
127 HD23 LEU 18 HD23 LEU 18 26.642 5.825 19.394
128 H ARG 19 H ARG 19 23.373 3.566 19.658
129 HA ARG 19 HA ARG 19 22.205 0.979 18.707
130 HB2 ARG 19 HB2 ARG 19 21.461 1.683 21.046
131 HB3 ARG 19 HB3 ARG 19 20.661 3.067 20.315
132 HG2 ARG 19 HG2 ARG 19 20.076 0.231 19.374
133 HG3 ARG 19 HG3 ARG 19 19.366 0.841 20.866
134 HD2 ARG 19 HD2 ARG 19 18.220 2.628 19.710
135 HD3 ARG 19 HD3 ARG 19 18.987 2.199 18.177
136 HE ARG 19 HE ARG 19 17.634 -0.091 19.230
137 HH11 ARG 19 HH11 ARG 19 16.840 2.929 17.642
138 HH12 ARG 19 HH12 ARG 19 15.352 2.306 16.994
139 HH21 ARG 19 HH21 ARG 19 15.744 -0.832 18.354
140 HH22 ARG 19 HH22 ARG 19 14.750 0.226 17.400
141 H ARG 20 H ARG 20 21.126 1.096 16.845
142 HA ARG 20 HA ARG 20 20.916 3.730 15.439
143 HB2 ARG 20 HB2 ARG 20 21.371 2.627 13.378
144 HB3 ARG 20 HB3 ARG 20 22.621 2.144 14.529
145 HG2 ARG 20 HG2 ARG 20 21.448 -0.015 14.907
146 HG3 ARG 20 HG3 ARG 20 20.234 0.433 13.699
147 HD2 ARG 20 HD2 ARG 20 23.219 0.221 13.148
148 HD3 ARG 20 HD3 ARG 20 22.070 -1.082 12.870
149 HE ARG 20 HE ARG 20 22.406 1.382 11.281
150 HH11 ARG 20 HH11 ARG 20 20.259 -1.345 11.820
151 HH12 ARG 20 HH12 ARG 20 19.526 -1.183 10.248
152 HH21 ARG 20 HH21 ARG 20 21.404 1.536 9.307
153 HH22 ARG 20 HH22 ARG 20 20.146 0.416 8.882
154 H CYS 21 H CYS 21 19.160 4.125 14.096
155 HA CYS 21 HA CYS 21 16.688 2.594 14.805
156 HB2 CYS 21 HB2 CYS 21 16.961 4.945 15.630
157 HB3 CYS 21 HB3 CYS 21 17.000 5.483 13.943
158 H SER 22 H SER 22 15.977 1.316 13.278
159 HA SER 22 HA SER 22 16.861 1.211 10.577
160 HB2 SER 22 HB2 SER 22 15.068 -0.492 10.330
161 HB3 SER 22 HB3 SER 22 16.085 -0.751 11.756
162 HG SER 22 HG SER 22 13.827 -0.964 12.212
163 H GLN 23 H GLN 23 14.620 3.372 11.891
164 HA GLN 23 HA GLN 23 13.267 3.845 9.262
165 HB2 GLN 23 HB2 GLN 23 12.360 4.481 12.095
166 HB3 GLN 23 HB3 GLN 23 11.476 4.880 10.619
167 HG2 GLN 23 HG2 GLN 23 11.306 2.461 10.058
168 HG3 GLN 23 HG3 GLN 23 12.145 2.053 11.555
169 HE21 GLN 23 HE21 GLN 23 9.054 3.047 10.183
170 HE22 GLN 23 HE22 GLN 23 8.177 2.955 11.708
171 H CYS 24 H CYS 24 15.746 5.105 11.129
172 HA CYS 24 HA CYS 24 15.303 7.899 10.141
173 HB2 CYS 24 HB2 CYS 24 16.567 7.174 12.787
174 HB3 CYS 24 HB3 CYS 24 16.050 8.756 12.218
175 H GLY 25 H GLY 25 17.719 5.366 10.852
176 HA2 GLY 25 HA2 GLY 25 19.784 5.036 9.908
177 HA3 GLY 25 HA3 GLY 25 19.579 6.490 8.935
178 H ILE 26 H ILE 26 19.292 7.033 12.332
179 HA ILE 26 HA ILE 26 22.043 8.192 12.482
180 HB ILE 26 HB ILE 26 20.169 9.763 12.669
181 HG12 ILE 26 HG12 ILE 26 21.689 9.537 15.300
182 HG13 ILE 26 HG13 ILE 26 22.349 10.188 13.792
183 HG21 ILE 26 HG21 ILE 26 18.505 8.241 13.744
184 HG22 ILE 26 HG22 ILE 26 19.418 8.343 15.262
185 HG23 ILE 26 HG23 ILE 26 18.654 9.791 14.563
186 HD11 ILE 26 HD11 ILE 26 20.071 11.344 15.452
187 HD12 ILE 26 HD12 ILE 26 21.687 12.021 15.194
188 HD13 ILE 26 HD13 ILE 26 20.538 11.947 13.837
189 H LEU 27 H LEU 27 23.213 8.002 14.494
190 HA LEU 27 HA LEU 27 22.589 5.558 16.103
191 HB2 LEU 27 HB2 LEU 27 25.317 6.485 15.082
192 HB3 LEU 27 HB3 LEU 27 25.030 5.224 16.267
193 HG LEU 27 HG LEU 27 23.565 4.115 14.388
194 HD11 LEU 27 HD11 LEU 27 23.701 5.895 12.680
195 HD12 LEU 27 HD12 LEU 27 24.526 4.443 12.119
196 HD13 LEU 27 HD13 LEU 27 25.475 5.819 12.726
197 HD21 LEU 27 HD21 LEU 27 26.610 4.170 14.268
198 HD22 LEU 27 HD22 LEU 27 25.564 2.894 13.601
199 HD23 LEU 27 HD23 LEU 27 25.625 3.158 15.350
200 H LEU 28 H LEU 28 22.535 5.872 18.225
201 HA LEU 28 HA LEU 28 23.824 8.293 19.452
202 HB2 LEU 28 HB2 LEU 28 21.133 7.044 20.164
203 HB3 LEU 28 HB3 LEU 28 21.930 8.314 21.054
204 HG LEU 28 HG LEU 28 20.246 9.387 19.957
205 HD11 LEU 28 HD11 LEU 28 21.227 10.984 18.490
206 HD12 LEU 28 HD12 LEU 28 22.531 9.881 18.032
207 HD13 LEU 28 HD13 LEU 28 22.460 10.527 19.684
208 HD21 LEU 28 HD21 LEU 28 19.614 9.233 17.646
209 HD22 LEU 28 HD22 LEU 28 19.605 7.616 18.372
210 HD23 LEU 28 HD23 LEU 28 20.933 8.105 17.297
211 HA PRO 29 HA PRO 29 25.595 5.259 22.178
212 HB2 PRO 29 HB2 PRO 29 26.248 6.717 24.412
213 HB3 PRO 29 HB3 PRO 29 27.093 6.842 22.845
214 HG2 PRO 29 HG2 PRO 29 24.913 8.646 23.921
215 HG3 PRO 29 HG3 PRO 29 26.454 9.110 23.140
216 HD2 PRO 29 HD2 PRO 29 24.090 9.025 21.772
217 HD3 PRO 29 HD3 PRO 29 25.638 8.575 21.002
218 H LEU 30 H LEU 30 23.774 7.227 24.547
219 HA LEU 30 HA LEU 30 21.824 5.143 25.098
220 HB2 LEU 30 HB2 LEU 30 24.354 5.226 26.583
221 HB3 LEU 30 HB3 LEU 30 22.998 5.403 27.657
222 HG LEU 30 HG LEU 30 23.079 3.149 25.624
223 HD11 LEU 30 HD11 LEU 30 23.932 1.695 27.431
224 HD12 LEU 30 HD12 LEU 30 24.160 3.159 28.481
225 HD13 LEU 30 HD13 LEU 30 25.115 2.967 26.955
226 HD21 LEU 30 HD21 LEU 30 21.529 2.076 27.167
227 HD22 LEU 30 HD22 LEU 30 20.892 3.655 26.695
228 HD23 LEU 30 HD23 LEU 30 21.643 3.447 28.288
229 HA PRO 31 HA PRO 31 20.668 8.853 27.769
230 HB2 PRO 31 HB2 PRO 31 22.220 11.118 27.995
231 HB3 PRO 31 HB3 PRO 31 22.327 9.687 29.074
232 HG2 PRO 31 HG2 PRO 31 24.083 10.384 26.715
233 HG3 PRO 31 HG3 PRO 31 24.568 9.771 28.325
234 HD2 PRO 31 HD2 PRO 31 24.347 8.137 26.152
235 HD3 PRO 31 HD3 PRO 31 23.949 7.583 27.794
236 H ILE 32 H ILE 32 22.551 10.106 24.919
237 HA ILE 32 HA ILE 32 20.538 12.039 24.192
238 HB ILE 32 HB ILE 32 22.673 10.798 22.410
239 HG12 ILE 32 HG12 ILE 32 23.508 13.380 23.018
240 HG13 ILE 32 HG13 ILE 32 22.762 12.917 24.534
241 HG21 ILE 32 HG21 ILE 32 21.060 13.369 22.101
242 HG22 ILE 32 HG22 ILE 32 22.426 12.877 21.076
243 HG23 ILE 32 HG23 ILE 32 20.948 11.929 21.068
244 HD11 ILE 32 HD11 ILE 32 25.140 12.398 24.570
245 HD12 ILE 32 HD12 ILE 32 24.253 10.859 24.535
246 HD13 ILE 32 HD13 ILE 32 25.012 11.479 23.054
247 H LEU 33 H LEU 33 20.768 8.601 23.599
248 HA LEU 33 HA LEU 33 18.893 8.286 21.495
249 HB2 LEU 33 HB2 LEU 33 20.385 6.512 22.446
250 HB3 LEU 33 HB3 LEU 33 19.409 6.519 23.911
251 HG LEU 33 HG LEU 33 17.447 5.712 22.630
252 HD11 LEU 33 HD11 LEU 33 18.072 6.546 20.358
253 HD12 LEU 33 HD12 LEU 33 17.730 4.818 20.368
254 HD13 LEU 33 HD13 LEU 33 19.415 5.382 20.319
255 HD21 LEU 33 HD21 LEU 33 18.299 3.421 22.295
256 HD22 LEU 33 HD22 LEU 33 18.902 4.143 23.796
257 HD23 LEU 33 HD23 LEU 33 19.970 4.037 22.382
258 H ASN 34 H ASN 34 18.312 9.218 24.862
259 HA ASN 34 HA ASN 34 15.560 8.553 25.074
260 HB2 ASN 34 HB2 ASN 34 17.086 9.315 26.917
261 HB3 ASN 34 HB3 ASN 34 17.051 10.944 26.247
262 HD21 ASN 34 HD21 ASN 34 15.254 8.541 28.076
263 HD22 ASN 34 HD22 ASN 34 13.922 9.617 28.484
264 H GLN 35 H GLN 35 17.081 11.523 23.693
265 HA GLN 35 HA GLN 35 14.593 12.839 23.074
266 HB2 GLN 35 HB2 GLN 35 16.801 13.980 23.221
267 HB3 GLN 35 HB3 GLN 35 17.321 13.151 21.747
268 HG2 GLN 35 HG2 GLN 35 15.495 14.266 20.476
269 HG3 GLN 35 HG3 GLN 35 14.928 15.040 21.955
270 HE21 GLN 35 HE21 GLN 35 16.058 16.931 22.712
271 HE22 GLN 35 HE22 GLN 35 17.364 17.645 21.767
272 H HIS 36 H HIS 36 16.666 10.568 21.212
273 HA HIS 36 HA HIS 36 15.105 10.653 18.809
274 HB2 HIS 36 HB2 HIS 36 17.415 9.605 19.089
275 HB3 HIS 36 HB3 HIS 36 16.608 8.209 19.810
276 HD1 HIS 36 HD1 HIS 36 17.206 9.921 16.502
277 HD2 HIS 36 HD2 HIS 36 14.808 6.851 18.084
278 HE1 HIS 36 HE1 HIS 36 16.162 8.774 14.517
279 H GLN 37 H GLN 37 14.915 8.427 21.655
280 HA GLN 37 HA GLN 37 12.792 6.835 20.708
281 HB2 GLN 37 HB2 GLN 37 13.651 7.609 23.516
282 HB3 GLN 37 HB3 GLN 37 12.322 6.497 23.227
283 HG2 GLN 37 HG2 GLN 37 15.149 6.088 22.171
284 HG3 GLN 37 HG3 GLN 37 14.531 5.371 23.653
285 HE21 GLN 37 HE21 GLN 37 15.567 3.926 21.328
286 HE22 GLN 37 HE22 GLN 37 14.223 2.958 20.735
287 H GLU 38 H GLU 38 12.500 9.936 22.571
288 HA GLU 38 HA GLU 38 9.616 9.863 22.571
289 HB2 GLU 38 HB2 GLU 38 11.476 12.275 22.726
290 HB3 GLU 38 HB3 GLU 38 9.726 12.279 23.012
291 HG2 GLU 38 HG2 GLU 38 10.229 10.418 24.789
292 HG3 GLU 38 HG3 GLU 38 11.896 11.008 24.702
293 H LYS 39 H LYS 39 11.886 11.471 20.256
294 HA LYS 39 HA LYS 39 9.756 12.621 18.696
295 HB2 LYS 39 HB2 LYS 39 12.200 13.338 18.894
296 HB3 LYS 39 HB3 LYS 39 12.601 12.089 17.734
297 HG2 LYS 39 HG2 LYS 39 10.507 14.250 17.215
298 HG3 LYS 39 HG3 LYS 39 12.208 14.554 16.963
299 HD2 LYS 39 HD2 LYS 39 10.596 12.433 15.481
300 HD3 LYS 39 HD3 LYS 39 10.975 14.028 14.870
301 HE2 LYS 39 HE2 LYS 39 13.072 11.936 15.615
302 HE3 LYS 39 HE3 LYS 39 12.429 12.183 13.992
303 HZ1 LYS 39 HZ1 LYS 39 14.488 13.397 14.259
304 HZ2 LYS 39 HZ2 LYS 39 13.923 14.230 15.538
305 HZ3 LYS 39 HZ3 LYS 39 13.280 14.466 14.058
306 H CYS 40 H CYS 40 11.717 9.699 18.170
307 HA CYS 40 HA CYS 40 10.613 8.910 15.680
308 HB2 CYS 40 HB2 CYS 40 12.755 8.276 17.008
309 HB3 CYS 40 HB3 CYS 40 11.759 7.062 17.808
310 H ARG 41 H ARG 41 9.699 8.007 19.054
311 HA ARG 41 HA ARG 41 7.433 6.362 18.398
312 HB2 ARG 41 HB2 ARG 41 8.496 6.341 20.591
313 HB3 ARG 41 HB3 ARG 41 8.037 8.027 20.878
314 HG2 ARG 41 HG2 ARG 41 5.709 7.492 21.005
315 HG3 ARG 41 HG3 ARG 41 5.965 5.846 20.407
316 HD2 ARG 41 HD2 ARG 41 7.153 6.905 23.008
317 HD3 ARG 41 HD3 ARG 41 5.580 6.091 22.908
318 HE ARG 41 HE ARG 41 7.423 4.393 21.630
319 HH11 ARG 41 HH11 ARG 41 6.953 5.548 24.905
320 HH12 ARG 41 HH12 ARG 41 7.644 4.109 25.605
321 HH21 ARG 41 HH21 ARG 41 8.282 2.591 22.583
322 HH22 ARG 41 HH22 ARG 41 8.371 2.478 24.316
323 H TRP 42 H TRP 42 7.577 9.900 19.135
324 HA TRP 42 HA TRP 42 4.795 10.376 18.818
325 HB2 TRP 42 HB2 TRP 42 6.401 11.997 19.774
326 HB3 TRP 42 HB3 TRP 42 7.101 12.254 18.181
327 HD1 TRP 42 HD1 TRP 42 4.140 13.153 20.342
328 HE1 TRP 42 HE1 TRP 42 2.665 14.918 19.199
329 HE3 TRP 42 HE3 TRP 42 6.373 13.223 15.717
330 HZ2 TRP 42 HZ2 TRP 42 2.412 16.120 16.592
331 HZ3 TRP 42 HZ3 TRP 42 5.459 14.661 13.912
332 HH2 TRP 42 HH2 TRP 42 3.484 16.109 14.334
333 H LEU 43 H LEU 43 7.398 10.494 16.347
334 HA LEU 43 HA LEU 43 5.755 11.223 14.160
335 HB2 LEU 43 HB2 LEU 43 8.340 11.164 14.464
336 HB3 LEU 43 HB3 LEU 43 8.252 9.483 13.992
337 HG LEU 43 HG LEU 43 8.942 10.876 12.163
338 HD11 LEU 43 HD11 LEU 43 6.080 10.103 11.502
339 HD12 LEU 43 HD12 LEU 43 7.440 8.946 11.601
340 HD13 LEU 43 HD13 LEU 43 7.461 10.260 10.401
341 HD21 LEU 43 HD21 LEU 43 7.892 12.995 12.911
342 HD22 LEU 43 HD22 LEU 43 6.312 12.396 12.355
343 HD23 LEU 43 HD23 LEU 43 7.628 12.655 11.193
344 H ALA 44 H ALA 44 6.815 7.907 15.170
345 HA ALA 44 HA ALA 44 5.324 6.493 13.217
346 HB1 ALA 44 HB1 ALA 44 5.697 4.556 14.700
347 HB2 ALA 44 HB2 ALA 44 7.166 5.537 14.541
348 HB3 ALA 44 HB3 ALA 44 6.181 5.645 16.019
349 H SER 45 H SER 45 4.313 7.564 16.489
350 HA SER 45 HA SER 45 1.718 6.312 16.439
351 HB2 SER 45 HB2 SER 45 2.933 7.074 18.484
352 HB3 SER 45 HB3 SER 45 2.668 8.755 17.990
353 HG SER 45 HG SER 45 0.726 6.785 18.703
354 H SER 46 H SER 46 2.808 9.623 15.569
355 HA SER 46 HA SER 46 0.243 10.693 14.883
356 HB2 SER 46 HB2 SER 46 2.266 12.025 15.392
357 HB3 SER 46 HB3 SER 46 3.020 11.459 13.887
358 HG SER 46 HG SER 46 1.981 13.526 13.701
359 H LYS 47 H LYS 47 2.713 9.036 12.924
360 HA LYS 47 HA LYS 47 1.302 9.256 10.399
361 HB2 LYS 47 HB2 LYS 47 3.791 9.202 10.776
362 HB3 LYS 47 HB3 LYS 47 3.659 7.477 11.138
363 HG2 LYS 47 HG2 LYS 47 2.839 7.059 8.835
364 HG3 LYS 47 HG3 LYS 47 2.741 8.799 8.535
365 HD2 LYS 47 HD2 LYS 47 4.716 7.927 7.460
366 HD3 LYS 47 HD3 LYS 47 5.203 8.989 8.792
367 HE2 LYS 47 HE2 LYS 47 5.575 6.970 10.231
368 HE3 LYS 47 HE3 LYS 47 5.104 5.933 8.874
369 HZ1 LYS 47 HZ1 LYS 47 7.440 7.780 8.888
370 HZ2 LYS 47 HZ2 LYS 47 7.004 6.837 7.625
371 HZ3 LYS 47 HZ3 LYS 47 7.519 6.154 9.015
372 H GLY 48 H GLY 48 -0.672 8.389 11.694
373 HA2 GLY 48 HA2 GLY 48 -1.092 5.670 12.284
374 HA3 GLY 48 HA3 GLY 48 -2.351 6.822 11.825
375 H LYS 49 H LYS 49 -1.421 7.286 9.109
376 HA LYS 49 HA LYS 49 -2.305 4.809 7.749
377 HB2 LYS 49 HB2 LYS 49 -3.062 7.194 7.114
378 HB3 LYS 49 HB3 LYS 49 -1.432 7.449 6.503
379 HG2 LYS 49 HG2 LYS 49 -2.555 6.792 4.567
380 HG3 LYS 49 HG3 LYS 49 -1.852 5.270 5.093
381 HD2 LYS 49 HD2 LYS 49 -4.040 4.655 4.567
382 HD3 LYS 49 HD3 LYS 49 -4.147 4.881 6.328
383 HE2 LYS 49 HE2 LYS 49 -4.948 7.262 5.885
384 HE3 LYS 49 HE3 LYS 49 -4.925 6.890 4.147
385 HZ1 LYS 49 HZ1 LYS 49 -7.140 6.576 5.040
386 HZ2 LYS 49 HZ2 LYS 49 -6.621 5.531 6.188
387 HZ3 LYS 49 HZ3 LYS 49 -6.564 5.108 4.601
388 H GLN 50 H GLN 50 -0.928 3.320 6.983
389 HA GLN 50 HA GLN 50 1.950 3.637 7.075
390 HB2 GLN 50 HB2 GLN 50 2.060 1.397 6.226
391 HB3 GLN 50 HB3 GLN 50 0.848 1.487 7.499
392 HG2 GLN 50 HG2 GLN 50 -0.959 1.499 5.803
393 HG3 GLN 50 HG3 GLN 50 0.231 1.457 4.503
394 HE21 GLN 50 HE21 GLN 50 -1.803 -0.512 4.740
395 HE22 GLN 50 HE22 GLN 50 -1.010 -2.034 5.133
396 H VAL 51 H VAL 51 3.376 3.131 5.232
397 HA VAL 51 HA VAL 51 2.729 4.676 2.783
398 HB VAL 51 HB VAL 51 5.087 4.332 2.201
399 HG11 VAL 51 HG11 VAL 51 6.061 5.755 3.905
400 HG12 VAL 51 HG12 VAL 51 4.400 6.274 3.573
401 HG13 VAL 51 HG13 VAL 51 4.765 5.357 5.051
402 HG21 VAL 51 HG21 VAL 51 5.411 2.932 4.897
403 HG22 VAL 51 HG22 VAL 51 5.468 2.122 3.316
404 HG23 VAL 51 HG23 VAL 51 6.685 3.336 3.729
405 H ARG 52 H ARG 52 3.700 3.624 0.698
406 HA ARG 52 HA ARG 52 2.706 0.810 0.421
407 HB2 ARG 52 HB2 ARG 52 1.272 2.841 -0.439
408 HB3 ARG 52 HB3 ARG 52 2.421 2.870 -1.779
409 HG2 ARG 52 HG2 ARG 52 1.829 0.471 -2.271
410 HG3 ARG 52 HG3 ARG 52 0.719 0.488 -0.890
411 HD2 ARG 52 HD2 ARG 52 -0.564 2.327 -1.982
412 HD3 ARG 52 HD3 ARG 52 0.523 2.226 -3.385
413 HE ARG 52 HE ARG 52 -0.484 -0.373 -2.925
414 HH11 ARG 52 HH11 ARG 52 -1.825 2.703 -3.931
415 HH12 ARG 52 HH12 ARG 52 -3.149 1.950 -4.779
416 HH21 ARG 52 HH21 ARG 52 -2.196 -1.267 -4.017
417 HH22 ARG 52 HH22 ARG 52 -3.345 -0.240 -4.825
418 H ASN 53 H ASN 53 5.460 1.901 0.784
419 HA ASN 53 HA ASN 53 6.815 0.270 -1.229
420 HB2 ASN 53 HB2 ASN 53 8.424 2.129 -1.817
421 HB3 ASN 53 HB3 ASN 53 6.799 2.321 -2.438
422 HD21 ASN 53 HD21 ASN 53 6.592 4.532 -2.600
423 HD22 ASN 53 HD22 ASN 53 6.818 5.632 -1.253
424 H PHE 54 H PHE 54 9.252 0.236 -0.714
425 HA PHE 54 HA PHE 54 9.825 0.453 2.209
426 HB2 PHE 54 HB2 PHE 54 8.928 -1.800 1.824
427 HB3 PHE 54 HB3 PHE 54 10.098 -2.074 0.541
428 HD1 PHE 54 HD2 PHE 54 9.825 -1.336 4.216
429 HD2 PHE 54 HD1 PHE 54 12.246 -2.988 1.049
430 HE1 PHE 54 HE2 PHE 54 11.451 -2.182 5.896
431 HE2 PHE 54 HE1 PHE 54 13.864 -3.835 2.731
432 HZ PHE 54 HZ PHE 54 13.473 -3.429 5.155
433 H SER 55 H SER 55 11.109 -0.057 -1.054
434 HA SER 55 HA SER 55 13.191 0.139 -1.988
435 HB2 SER 55 HB2 SER 55 12.925 2.775 -0.518
436 HB3 SER 55 HB3 SER 55 13.992 2.459 -1.901
437 HG SER 55 HG SER 55 11.954 3.347 -2.568
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 19.496 -14.853 9.546
2 H2 GLY 1 H2 GLY 1 17.876 -15.112 9.484
3 H3 GLY 1 H3 GLY 1 18.531 -14.305 10.763
4 HA2 GLY 1 HA2 GLY 1 17.438 -12.764 9.270
5 HA3 GLY 1 HA3 GLY 1 19.176 -12.467 9.379
6 H SER 2 H SER 2 17.522 -11.622 7.235
7 HA SER 2 HA SER 2 18.014 -13.226 4.835
8 HB2 SER 2 HB2 SER 2 17.400 -11.015 3.730
9 HB3 SER 2 HB3 SER 2 16.198 -11.666 4.831
10 HG SER 2 HG SER 2 16.470 -9.440 5.200
11 H GLU 3 H GLU 3 19.295 -12.126 3.000
12 HA GLU 3 HA GLU 3 22.064 -11.932 3.664
13 HB2 GLU 3 HB2 GLU 3 22.385 -11.280 1.327
14 HB3 GLU 3 HB3 GLU 3 21.355 -12.698 1.501
15 HG2 GLU 3 HG2 GLU 3 19.337 -11.290 1.105
16 HG3 GLU 3 HG3 GLU 3 20.366 -9.863 0.946
17 H PHE 4 H PHE 4 23.546 -10.201 3.481
18 HA PHE 4 HA PHE 4 22.451 -7.478 4.108
19 HB2 PHE 4 HB2 PHE 4 24.931 -8.910 5.133
20 HB3 PHE 4 HB3 PHE 4 24.633 -7.195 5.347
21 HD1 PHE 4 HD2 PHE 4 22.548 -6.422 6.611
22 HD2 PHE 4 HD1 PHE 4 24.013 -10.478 6.714
23 HE1 PHE 4 HE2 PHE 4 21.322 -6.812 8.736
24 HE2 PHE 4 HE1 PHE 4 22.791 -10.863 8.842
25 HZ PHE 4 HZ PHE 4 21.447 -9.031 9.857
26 H THR 5 H THR 5 23.472 -5.690 3.232
27 HA THR 5 HA THR 5 24.418 -5.939 0.575
28 HB THR 5 HB THR 5 24.715 -3.525 2.404
29 HG1 THR 5 HG1 THR 5 22.510 -4.308 0.796
30 HG21 THR 5 HG21 THR 5 24.346 -2.235 0.317
31 HG22 THR 5 HG22 THR 5 24.369 -3.748 -0.621
32 HG23 THR 5 HG23 THR 5 25.825 -3.202 0.241
33 H SER 6 H SER 6 26.252 -4.879 3.476
34 HA SER 6 HA SER 6 28.789 -6.016 2.515
35 HB2 SER 6 HB2 SER 6 28.425 -3.007 2.920
36 HB3 SER 6 HB3 SER 6 29.985 -3.830 2.768
37 HG SER 6 HG SER 6 29.321 -2.940 0.780
38 H SER 7 H SER 7 30.427 -6.001 4.168
39 HA SER 7 HA SER 7 29.512 -5.740 6.963
40 HB2 SER 7 HB2 SER 7 31.709 -6.747 7.471
41 HB3 SER 7 HB3 SER 7 30.816 -7.700 6.281
42 HG SER 7 HG SER 7 32.968 -7.442 5.630
43 HA PRO 8 HA PRO 8 31.577 -1.795 7.566
44 HB2 PRO 8 HB2 PRO 8 32.379 -1.845 10.178
45 HB3 PRO 8 HB3 PRO 8 30.661 -1.814 9.687
46 HG2 PRO 8 HG2 PRO 8 32.336 -4.238 10.422
47 HG3 PRO 8 HG3 PRO 8 30.727 -3.773 11.064
48 HD2 PRO 8 HD2 PRO 8 30.980 -5.566 9.050
49 HD3 PRO 8 HD3 PRO 8 29.644 -4.381 9.055
50 H ARG 9 H ARG 9 33.391 -4.628 7.425
51 HA ARG 9 HA ARG 9 35.597 -5.225 7.389
52 HB2 ARG 9 HB2 ARG 9 35.855 -2.600 5.881
53 HB3 ARG 9 HB3 ARG 9 36.945 -3.988 5.800
54 HG2 ARG 9 HG2 ARG 9 34.928 -5.370 4.991
55 HG3 ARG 9 HG3 ARG 9 34.065 -3.832 4.835
56 HD2 ARG 9 HD2 ARG 9 34.932 -4.324 2.682
57 HD3 ARG 9 HD3 ARG 9 35.941 -3.024 3.340
58 HE ARG 9 HE ARG 9 37.016 -5.670 3.907
59 HH11 ARG 9 HH11 ARG 9 36.899 -3.300 1.330
60 HH12 ARG 9 HH12 ARG 9 38.346 -3.916 0.578
61 HH21 ARG 9 HH21 ARG 9 38.847 -6.404 2.902
62 HH22 ARG 9 HH22 ARG 9 39.412 -5.634 1.448
63 H GLY 10 H GLY 10 35.163 -4.399 9.862
64 HA2 GLY 10 HA2 GLY 10 37.839 -3.541 10.733
65 HA3 GLY 10 HA3 GLY 10 36.516 -2.473 11.213
66 H ASP 11 H ASP 11 37.899 -3.449 13.204
67 HA ASP 11 HA ASP 11 36.356 -5.696 14.442
68 HB2 ASP 11 HB2 ASP 11 39.377 -5.444 14.180
69 HB3 ASP 11 HB3 ASP 11 38.566 -6.554 15.280
70 H LYS 12 H LYS 12 35.260 -4.277 15.793
71 HA LYS 12 HA LYS 12 36.743 -3.468 18.194
72 HB2 LYS 12 HB2 LYS 12 36.593 -1.497 16.368
73 HB3 LYS 12 HB3 LYS 12 34.943 -1.374 16.938
74 HG2 LYS 12 HG2 LYS 12 36.134 0.210 18.206
75 HG3 LYS 12 HG3 LYS 12 35.894 -1.137 19.310
76 HD2 LYS 12 HD2 LYS 12 38.131 -0.334 19.596
77 HD3 LYS 12 HD3 LYS 12 38.258 -1.903 18.792
78 HE2 LYS 12 HE2 LYS 12 38.544 -0.759 16.602
79 HE3 LYS 12 HE3 LYS 12 38.356 0.811 17.393
80 HZ1 LYS 12 HZ1 LYS 12 40.379 0.319 18.674
81 HZ2 LYS 12 HZ2 LYS 12 40.693 0.269 17.073
82 HZ3 LYS 12 HZ3 LYS 12 40.553 -1.120 17.917
83 H ALA 13 H ALA 13 35.510 -3.547 20.035
84 HA ALA 13 HA ALA 13 32.797 -4.631 19.913
85 HB1 ALA 13 HB1 ALA 13 34.484 -5.405 21.545
86 HB2 ALA 13 HB2 ALA 13 34.542 -3.779 22.267
87 HB3 ALA 13 HB3 ALA 13 33.054 -4.744 22.354
88 H ALA 14 H ALA 14 33.962 -1.448 19.785
89 HA ALA 14 HA ALA 14 32.351 0.005 21.542
90 HB1 ALA 14 HB1 ALA 14 34.357 0.850 20.374
91 HB2 ALA 14 HB2 ALA 14 33.477 0.817 18.825
92 HB3 ALA 14 HB3 ALA 14 32.970 1.924 20.117
93 H TYR 15 H TYR 15 31.260 -1.526 18.617
94 HA TYR 15 HA TYR 15 29.024 0.332 18.203
95 HB2 TYR 15 HB2 TYR 15 29.746 -2.217 16.731
96 HB3 TYR 15 HB3 TYR 15 28.634 -0.966 16.191
97 HD1 TYR 15 HD2 TYR 15 29.711 1.523 16.184
98 HD2 TYR 15 HD1 TYR 15 31.926 -2.165 15.822
99 HE1 TYR 15 HE2 TYR 15 31.615 2.765 15.161
100 HE2 TYR 15 HE1 TYR 15 33.812 -0.926 14.772
101 HH TYR 15 HH TYR 15 34.621 1.117 14.111
102 H ASP 16 H ASP 16 29.406 -2.441 20.169
103 HA ASP 16 HA ASP 16 26.646 -3.416 19.902
104 HB2 ASP 16 HB2 ASP 16 28.909 -4.083 21.816
105 HB3 ASP 16 HB3 ASP 16 27.316 -4.831 21.883
106 H ILE 17 H ILE 17 28.331 -1.152 22.047
107 HA ILE 17 HA ILE 17 26.142 -0.961 23.970
108 HB ILE 17 HB ILE 17 28.333 -0.501 24.697
109 HG12 ILE 17 HG12 ILE 17 26.333 0.833 25.614
110 HG13 ILE 17 HG13 ILE 17 27.968 1.242 26.090
111 HG21 ILE 17 HG21 ILE 17 28.553 1.768 22.687
112 HG22 ILE 17 HG22 ILE 17 29.680 1.459 24.022
113 HG23 ILE 17 HG23 ILE 17 29.499 0.264 22.743
114 HD11 ILE 17 HD11 ILE 17 28.000 3.218 24.680
115 HD12 ILE 17 HD12 ILE 17 26.412 2.822 23.997
116 HD13 ILE 17 HD13 ILE 17 26.563 3.237 25.709
117 H LEU 18 H LEU 18 27.029 0.774 21.011
118 HA LEU 18 HA LEU 18 25.141 2.921 21.246
119 HB2 LEU 18 HB2 LEU 18 26.274 1.644 18.722
120 HB3 LEU 18 HB3 LEU 18 25.519 3.235 18.839
121 HG LEU 18 HG LEU 18 28.173 2.401 20.075
122 HD11 LEU 18 HD11 LEU 18 28.183 2.739 17.618
123 HD12 LEU 18 HD12 LEU 18 29.144 3.963 18.470
124 HD13 LEU 18 HD13 LEU 18 27.522 4.382 17.849
125 HD21 LEU 18 HD21 LEU 18 27.208 4.024 21.561
126 HD22 LEU 18 HD22 LEU 18 26.721 5.065 20.205
127 HD23 LEU 18 HD23 LEU 18 28.430 4.840 20.597
128 H ARG 19 H ARG 19 23.245 3.297 20.054
129 HA ARG 19 HA ARG 19 21.699 0.924 19.055
130 HB2 ARG 19 HB2 ARG 19 20.930 3.140 20.942
131 HB3 ARG 19 HB3 ARG 19 19.712 2.630 19.791
132 HG2 ARG 19 HG2 ARG 19 21.176 0.607 21.521
133 HG3 ARG 19 HG3 ARG 19 19.772 1.478 22.115
134 HD2 ARG 19 HD2 ARG 19 19.729 -0.154 19.547
135 HD3 ARG 19 HD3 ARG 19 19.314 -0.824 21.103
136 HE ARG 19 HE ARG 19 17.687 0.947 19.457
137 HH11 ARG 19 HH11 ARG 19 18.097 -0.169 22.761
138 HH12 ARG 19 HH12 ARG 19 16.457 0.238 23.194
139 HH21 ARG 19 HH21 ARG 19 15.577 1.338 20.064
140 HH22 ARG 19 HH22 ARG 19 15.105 1.135 21.731
141 H ARG 20 H ARG 20 20.402 1.257 17.317
142 HA ARG 20 HA ARG 20 20.777 3.718 15.679
143 HB2 ARG 20 HB2 ARG 20 21.478 2.514 13.787
144 HB3 ARG 20 HB3 ARG 20 22.416 1.843 15.115
145 HG2 ARG 20 HG2 ARG 20 20.617 -0.035 15.218
146 HG3 ARG 20 HG3 ARG 20 20.069 0.598 13.659
147 HD2 ARG 20 HD2 ARG 20 21.551 -1.111 13.043
148 HD3 ARG 20 HD3 ARG 20 22.518 0.343 12.872
149 HE ARG 20 HE ARG 20 23.858 -0.309 14.687
150 HH11 ARG 20 HH11 ARG 20 21.183 -2.565 14.451
151 HH12 ARG 20 HH12 ARG 20 21.898 -3.674 15.587
152 HH21 ARG 20 HH21 ARG 20 24.694 -1.762 16.167
153 HH22 ARG 20 HH22 ARG 20 23.829 -3.227 16.519
154 H CYS 21 H CYS 21 19.268 3.771 13.818
155 HA CYS 21 HA CYS 21 16.577 2.647 14.512
156 HB2 CYS 21 HB2 CYS 21 16.958 4.864 15.535
157 HB3 CYS 21 HB3 CYS 21 17.337 5.540 13.929
158 H SER 22 H SER 22 15.896 1.525 12.881
159 HA SER 22 HA SER 22 17.025 1.376 10.325
160 HB2 SER 22 HB2 SER 22 14.275 0.441 11.200
161 HB3 SER 22 HB3 SER 22 15.199 -0.182 9.828
162 HG SER 22 HG SER 22 16.743 -0.983 11.260
163 H GLN 23 H GLN 23 14.972 3.844 11.284
164 HA GLN 23 HA GLN 23 14.263 4.487 8.450
165 HB2 GLN 23 HB2 GLN 23 12.183 5.470 9.190
166 HB3 GLN 23 HB3 GLN 23 12.264 3.767 9.629
167 HG2 GLN 23 HG2 GLN 23 12.838 4.377 11.961
168 HG3 GLN 23 HG3 GLN 23 12.769 6.090 11.545
169 HE21 GLN 23 HE21 GLN 23 11.089 4.224 13.402
170 HE22 GLN 23 HE22 GLN 23 9.445 4.642 12.937
171 H CYS 24 H CYS 24 16.326 5.382 10.804
172 HA CYS 24 HA CYS 24 16.307 8.265 9.984
173 HB2 CYS 24 HB2 CYS 24 17.208 7.185 12.662
174 HB3 CYS 24 HB3 CYS 24 17.050 8.866 12.165
175 H GLY 25 H GLY 25 18.310 5.409 10.743
176 HA2 GLY 25 HA2 GLY 25 20.355 4.804 9.887
177 HA3 GLY 25 HA3 GLY 25 20.448 6.329 9.010
178 H ILE 26 H ILE 26 20.030 7.579 11.905
179 HA ILE 26 HA ILE 26 22.839 8.017 12.501
180 HB ILE 26 HB ILE 26 21.088 9.743 12.622
181 HG12 ILE 26 HG12 ILE 26 22.415 9.366 15.334
182 HG13 ILE 26 HG13 ILE 26 23.249 9.928 13.873
183 HG21 ILE 26 HG21 ILE 26 19.478 9.863 14.423
184 HG22 ILE 26 HG22 ILE 26 19.260 8.337 13.582
185 HG23 ILE 26 HG23 ILE 26 20.086 8.357 15.133
186 HD11 ILE 26 HD11 ILE 26 22.665 11.834 15.232
187 HD12 ILE 26 HD12 ILE 26 21.666 11.872 13.758
188 HD13 ILE 26 HD13 ILE 26 20.966 11.342 15.315
189 H LEU 27 H LEU 27 23.863 7.667 14.571
190 HA LEU 27 HA LEU 27 22.819 5.381 16.188
191 HB2 LEU 27 HB2 LEU 27 25.663 5.955 15.265
192 HB3 LEU 27 HB3 LEU 27 25.303 5.003 16.697
193 HG LEU 27 HG LEU 27 23.940 3.440 15.263
194 HD11 LEU 27 HD11 LEU 27 23.625 4.715 13.203
195 HD12 LEU 27 HD12 LEU 27 24.620 3.308 12.847
196 HD13 LEU 27 HD13 LEU 27 25.384 4.908 13.010
197 HD21 LEU 27 HD21 LEU 27 26.166 2.889 16.098
198 HD22 LEU 27 HD22 LEU 27 26.917 3.715 14.719
199 HD23 LEU 27 HD23 LEU 27 25.956 2.246 14.469
200 H LEU 28 H LEU 28 22.815 5.638 18.348
201 HA LEU 28 HA LEU 28 24.059 8.060 19.598
202 HB2 LEU 28 HB2 LEU 28 21.273 6.934 20.116
203 HB3 LEU 28 HB3 LEU 28 22.056 8.129 21.111
204 HG LEU 28 HG LEU 28 20.494 9.297 19.917
205 HD11 LEU 28 HD11 LEU 28 21.682 10.933 18.636
206 HD12 LEU 28 HD12 LEU 28 23.005 9.807 18.292
207 HD13 LEU 28 HD13 LEU 28 22.742 10.382 19.950
208 HD21 LEU 28 HD21 LEU 28 20.081 9.297 17.566
209 HD22 LEU 28 HD22 LEU 28 19.999 7.628 18.153
210 HD23 LEU 28 HD23 LEU 28 21.423 8.190 17.255
211 HA PRO 29 HA PRO 29 25.522 5.015 22.481
212 HB2 PRO 29 HB2 PRO 29 26.133 6.489 24.711
213 HB3 PRO 29 HB3 PRO 29 27.051 6.562 23.179
214 HG2 PRO 29 HG2 PRO 29 24.896 8.457 24.141
215 HG3 PRO 29 HG3 PRO 29 26.483 8.854 23.416
216 HD2 PRO 29 HD2 PRO 29 24.159 8.823 21.964
217 HD3 PRO 29 HD3 PRO 29 25.726 8.344 21.255
218 H LEU 30 H LEU 30 23.584 7.176 24.618
219 HA LEU 30 HA LEU 30 21.518 5.215 25.081
220 HB2 LEU 30 HB2 LEU 30 23.919 5.059 26.728
221 HB3 LEU 30 HB3 LEU 30 22.550 5.477 27.740
222 HG LEU 30 HG LEU 30 22.427 3.132 25.805
223 HD11 LEU 30 HD11 LEU 30 24.304 2.766 27.341
224 HD12 LEU 30 HD12 LEU 30 22.952 1.694 27.727
225 HD13 LEU 30 HD13 LEU 30 23.257 3.127 28.733
226 HD21 LEU 30 HD21 LEU 30 20.859 3.796 28.334
227 HD22 LEU 30 HD22 LEU 30 20.635 2.374 27.291
228 HD23 LEU 30 HD23 LEU 30 20.256 3.991 26.671
229 HA PRO 31 HA PRO 31 20.368 8.909 27.749
230 HB2 PRO 31 HB2 PRO 31 21.997 11.061 28.234
231 HB3 PRO 31 HB3 PRO 31 21.994 9.561 29.208
232 HG2 PRO 31 HG2 PRO 31 23.882 10.326 26.973
233 HG3 PRO 31 HG3 PRO 31 24.280 9.636 28.575
234 HD2 PRO 31 HD2 PRO 31 24.115 8.083 26.344
235 HD3 PRO 31 HD3 PRO 31 23.590 7.493 27.943
236 H ILE 32 H ILE 32 22.419 9.963 24.986
237 HA ILE 32 HA ILE 32 20.606 12.104 24.204
238 HB ILE 32 HB ILE 32 22.702 10.691 22.506
239 HG12 ILE 32 HG12 ILE 32 23.740 13.182 23.104
240 HG13 ILE 32 HG13 ILE 32 22.885 12.846 24.598
241 HG21 ILE 32 HG21 ILE 32 21.292 13.375 22.148
242 HG22 ILE 32 HG22 ILE 32 22.643 12.779 21.158
243 HG23 ILE 32 HG23 ILE 32 21.100 11.942 21.113
244 HD11 ILE 32 HD11 ILE 32 25.207 12.116 24.752
245 HD12 ILE 32 HD12 ILE 32 24.183 10.669 24.748
246 HD13 ILE 32 HD13 ILE 32 25.049 11.147 23.273
247 H LEU 33 H LEU 33 20.613 8.632 23.700
248 HA LEU 33 HA LEU 33 18.861 8.468 21.469
249 HB2 LEU 33 HB2 LEU 33 20.195 6.572 22.539
250 HB3 LEU 33 HB3 LEU 33 18.989 6.565 23.826
251 HG LEU 33 HG LEU 33 17.217 6.061 22.067
252 HD11 LEU 33 HD11 LEU 33 17.921 5.124 19.945
253 HD12 LEU 33 HD12 LEU 33 19.631 5.368 20.343
254 HD13 LEU 33 HD13 LEU 33 18.569 6.763 20.053
255 HD21 LEU 33 HD21 LEU 33 18.061 4.341 23.539
256 HD22 LEU 33 HD22 LEU 33 19.487 4.099 22.513
257 HD23 LEU 33 HD23 LEU 33 17.863 3.674 21.911
258 H ASN 34 H ASN 34 18.104 9.363 24.831
259 HA ASN 34 HA ASN 34 15.338 8.797 24.865
260 HB2 ASN 34 HB2 ASN 34 17.003 10.999 26.145
261 HB3 ASN 34 HB3 ASN 34 15.265 10.915 26.371
262 HD21 ASN 34 HD21 ASN 34 14.328 9.209 27.596
263 HD22 ASN 34 HD22 ASN 34 15.341 8.173 28.592
264 H GLN 35 H GLN 35 16.935 11.701 23.454
265 HA GLN 35 HA GLN 35 14.503 12.992 22.622
266 HB2 GLN 35 HB2 GLN 35 16.704 14.120 22.835
267 HB3 GLN 35 HB3 GLN 35 17.305 13.204 21.444
268 HG2 GLN 35 HG2 GLN 35 15.561 14.259 20.005
269 HG3 GLN 35 HG3 GLN 35 14.934 15.135 21.404
270 HE21 GLN 35 HE21 GLN 35 17.476 15.031 18.955
271 HE22 GLN 35 HE22 GLN 35 18.218 16.552 19.435
272 H HIS 36 H HIS 36 16.652 10.623 21.014
273 HA HIS 36 HA HIS 36 15.275 10.643 18.487
274 HB2 HIS 36 HB2 HIS 36 17.633 9.737 19.071
275 HB3 HIS 36 HB3 HIS 36 16.807 8.274 19.621
276 HD1 HIS 36 HD1 HIS 36 17.784 10.155 16.499
277 HD2 HIS 36 HD2 HIS 36 15.287 6.971 17.621
278 HE1 HIS 36 HE1 HIS 36 17.037 9.071 14.348
279 H GLN 37 H GLN 37 14.961 8.595 21.400
280 HA GLN 37 HA GLN 37 13.067 6.763 20.374
281 HB2 GLN 37 HB2 GLN 37 14.527 6.869 22.660
282 HB3 GLN 37 HB3 GLN 37 13.027 7.520 23.293
283 HG2 GLN 37 HG2 GLN 37 12.640 5.303 23.675
284 HG3 GLN 37 HG3 GLN 37 11.999 5.355 22.033
285 HE21 GLN 37 HE21 GLN 37 14.328 5.228 20.423
286 HE22 GLN 37 HE22 GLN 37 15.227 3.783 20.845
287 H GLU 38 H GLU 38 12.494 9.796 22.290
288 HA GLU 38 HA GLU 38 9.636 9.562 22.042
289 HB2 GLU 38 HB2 GLU 38 9.441 11.752 22.891
290 HB3 GLU 38 HB3 GLU 38 10.693 10.904 23.793
291 HG2 GLU 38 HG2 GLU 38 12.425 12.126 22.487
292 HG3 GLU 38 HG3 GLU 38 11.159 12.977 21.600
293 H LYS 39 H LYS 39 12.043 11.135 19.871
294 HA LYS 39 HA LYS 39 10.087 12.369 18.189
295 HB2 LYS 39 HB2 LYS 39 12.366 13.119 18.088
296 HB3 LYS 39 HB3 LYS 39 12.957 11.503 17.709
297 HG2 LYS 39 HG2 LYS 39 13.033 12.895 15.729
298 HG3 LYS 39 HG3 LYS 39 11.912 11.566 15.505
299 HD2 LYS 39 HD2 LYS 39 10.084 13.373 16.250
300 HD3 LYS 39 HD3 LYS 39 11.334 14.527 15.798
301 HE2 LYS 39 HE2 LYS 39 10.153 12.311 14.058
302 HE3 LYS 39 HE3 LYS 39 9.710 14.017 13.972
303 HZ1 LYS 39 HZ1 LYS 39 12.407 12.929 13.346
304 HZ2 LYS 39 HZ2 LYS 39 12.000 14.512 13.288
305 HZ3 LYS 39 HZ3 LYS 39 11.317 13.453 12.252
306 H CYS 40 H CYS 40 11.790 9.216 17.664
307 HA CYS 40 HA CYS 40 10.307 8.491 15.353
308 HB2 CYS 40 HB2 CYS 40 11.816 6.910 17.457
309 HB3 CYS 40 HB3 CYS 40 10.980 6.115 16.125
310 H ARG 41 H ARG 41 9.609 7.853 18.823
311 HA ARG 41 HA ARG 41 7.186 6.386 18.415
312 HB2 ARG 41 HB2 ARG 41 8.588 6.516 20.487
313 HB3 ARG 41 HB3 ARG 41 7.932 8.116 20.817
314 HG2 ARG 41 HG2 ARG 41 6.224 5.598 20.519
315 HG3 ARG 41 HG3 ARG 41 6.975 6.086 22.037
316 HD2 ARG 41 HD2 ARG 41 5.741 8.267 21.917
317 HD3 ARG 41 HD3 ARG 41 4.844 7.628 20.522
318 HE ARG 41 HE ARG 41 4.647 5.707 22.574
319 HH11 ARG 41 HH11 ARG 41 3.528 8.990 22.102
320 HH12 ARG 41 HH12 ARG 41 2.131 8.758 23.119
321 HH21 ARG 41 HH21 ARG 41 2.875 5.487 23.889
322 HH22 ARG 41 HH22 ARG 41 1.785 6.823 24.112
323 H TRP 42 H TRP 42 7.648 9.924 18.921
324 HA TRP 42 HA TRP 42 4.932 10.646 18.999
325 HB2 TRP 42 HB2 TRP 42 6.892 12.085 19.564
326 HB3 TRP 42 HB3 TRP 42 7.224 12.283 17.850
327 HD1 TRP 42 HD1 TRP 42 5.192 13.553 20.701
328 HE1 TRP 42 HE1 TRP 42 3.737 15.551 20.007
329 HE3 TRP 42 HE3 TRP 42 5.806 13.293 15.607
330 HZ2 TRP 42 HZ2 TRP 42 2.914 16.846 17.572
331 HZ3 TRP 42 HZ3 TRP 42 4.658 14.928 14.128
332 HH2 TRP 42 HH2 TRP 42 3.212 16.700 15.094
333 H LEU 43 H LEU 43 7.039 10.435 16.062
334 HA LEU 43 HA LEU 43 4.840 11.084 14.280
335 HB2 LEU 43 HB2 LEU 43 7.592 9.879 13.898
336 HB3 LEU 43 HB3 LEU 43 6.424 9.821 12.588
337 HG LEU 43 HG LEU 43 7.410 12.381 13.902
338 HD11 LEU 43 HD11 LEU 43 8.568 12.731 11.761
339 HD12 LEU 43 HD12 LEU 43 7.942 11.188 11.144
340 HD13 LEU 43 HD13 LEU 43 9.095 11.197 12.491
341 HD21 LEU 43 HD21 LEU 43 5.139 12.748 13.023
342 HD22 LEU 43 HD22 LEU 43 5.564 11.924 11.506
343 HD23 LEU 43 HD23 LEU 43 6.305 13.485 11.930
344 H ALA 44 H ALA 44 6.161 7.915 15.388
345 HA ALA 44 HA ALA 44 4.479 6.333 13.750
346 HB1 ALA 44 HB1 ALA 44 5.657 5.710 16.493
347 HB2 ALA 44 HB2 ALA 44 5.040 4.523 15.324
348 HB3 ALA 44 HB3 ALA 44 6.469 5.493 14.924
349 H SER 45 H SER 45 3.821 7.595 17.078
350 HA SER 45 HA SER 45 1.203 6.344 17.218
351 HB2 SER 45 HB2 SER 45 0.886 7.603 19.240
352 HB3 SER 45 HB3 SER 45 2.503 6.882 19.235
353 HG SER 45 HG SER 45 2.266 9.191 19.889
354 H SER 46 H SER 46 2.328 9.618 16.261
355 HA SER 46 HA SER 46 -0.295 10.727 15.870
356 HB2 SER 46 HB2 SER 46 2.322 11.465 14.501
357 HB3 SER 46 HB3 SER 46 0.821 12.410 14.457
358 HG SER 46 HG SER 46 2.527 11.853 16.631
359 H LYS 47 H LYS 47 1.775 8.786 13.708
360 HA LYS 47 HA LYS 47 0.160 8.994 11.348
361 HB2 LYS 47 HB2 LYS 47 2.569 7.899 11.809
362 HB3 LYS 47 HB3 LYS 47 1.636 6.447 12.089
363 HG2 LYS 47 HG2 LYS 47 2.212 6.312 9.822
364 HG3 LYS 47 HG3 LYS 47 0.550 6.890 9.778
365 HD2 LYS 47 HD2 LYS 47 1.820 8.146 8.168
366 HD3 LYS 47 HD3 LYS 47 1.454 9.248 9.496
367 HE2 LYS 47 HE2 LYS 47 3.745 8.847 10.432
368 HE3 LYS 47 HE3 LYS 47 4.084 7.748 9.096
369 HZ1 LYS 47 HZ1 LYS 47 4.967 9.954 8.648
370 HZ2 LYS 47 HZ2 LYS 47 3.497 10.650 8.823
371 HZ3 LYS 47 HZ3 LYS 47 3.783 9.636 7.570
372 H GLY 48 H GLY 48 0.104 6.663 14.015
373 HA2 GLY 48 HA2 GLY 48 -1.496 5.278 14.897
374 HA3 GLY 48 HA3 GLY 48 -2.721 6.164 13.989
375 H LYS 49 H LYS 49 -2.650 5.675 11.554
376 HA LYS 49 HA LYS 49 -2.785 2.778 11.011
377 HB2 LYS 49 HB2 LYS 49 -4.460 4.597 10.273
378 HB3 LYS 49 HB3 LYS 49 -3.287 5.067 9.058
379 HG2 LYS 49 HG2 LYS 49 -4.596 2.320 9.380
380 HG3 LYS 49 HG3 LYS 49 -5.069 3.568 8.226
381 HD2 LYS 49 HD2 LYS 49 -2.809 3.375 7.137
382 HD3 LYS 49 HD3 LYS 49 -2.456 2.005 8.226
383 HE2 LYS 49 HE2 LYS 49 -4.455 0.811 7.366
384 HE3 LYS 49 HE3 LYS 49 -4.781 2.156 6.260
385 HZ1 LYS 49 HZ1 LYS 49 -3.553 0.367 5.160
386 HZ2 LYS 49 HZ2 LYS 49 -2.321 0.486 6.225
387 HZ3 LYS 49 HZ3 LYS 49 -2.638 1.716 5.192
388 H GLN 50 H GLN 50 -0.499 2.466 11.486
389 HA GLN 50 HA GLN 50 1.645 3.473 9.881
390 HB2 GLN 50 HB2 GLN 50 1.305 0.810 11.324
391 HB3 GLN 50 HB3 GLN 50 2.800 1.333 10.536
392 HG2 GLN 50 HG2 GLN 50 2.884 3.339 12.016
393 HG3 GLN 50 HG3 GLN 50 1.421 2.786 12.832
394 HE21 GLN 50 HE21 GLN 50 2.704 2.785 14.852
395 HE22 GLN 50 HE22 GLN 50 3.787 1.430 15.159
396 H VAL 51 H VAL 51 2.622 2.762 8.001
397 HA VAL 51 HA VAL 51 0.883 1.566 6.031
398 HB VAL 51 HB VAL 51 2.786 1.816 4.477
399 HG11 VAL 51 HG11 VAL 51 2.280 4.292 6.177
400 HG12 VAL 51 HG12 VAL 51 2.819 4.244 4.486
401 HG13 VAL 51 HG13 VAL 51 1.199 3.668 4.913
402 HG21 VAL 51 HG21 VAL 51 4.331 2.968 6.844
403 HG22 VAL 51 HG22 VAL 51 4.695 1.432 6.027
404 HG23 VAL 51 HG23 VAL 51 4.833 2.957 5.145
405 H ARG 52 H ARG 52 3.177 0.108 8.156
406 HA ARG 52 HA ARG 52 4.228 -1.946 8.250
407 HB2 ARG 52 HB2 ARG 52 1.470 -2.829 7.311
408 HB3 ARG 52 HB3 ARG 52 2.658 -3.835 8.150
409 HG2 ARG 52 HG2 ARG 52 2.552 -2.307 10.124
410 HG3 ARG 52 HG3 ARG 52 1.271 -1.383 9.308
411 HD2 ARG 52 HD2 ARG 52 -0.110 -3.441 9.161
412 HD3 ARG 52 HD3 ARG 52 1.158 -4.341 10.020
413 HE ARG 52 HE ARG 52 0.458 -2.091 11.606
414 HH11 ARG 52 HH11 ARG 52 -1.037 -5.095 10.597
415 HH12 ARG 52 HH12 ARG 52 -2.073 -5.158 11.996
416 HH21 ARG 52 HH21 ARG 52 -0.899 -2.230 13.368
417 HH22 ARG 52 HH22 ARG 52 -1.992 -3.575 13.518
418 H ASN 53 H ASN 53 4.797 -0.673 5.813
419 HA ASN 53 HA ASN 53 5.332 -0.844 3.636
420 HB2 ASN 53 HB2 ASN 53 7.166 -1.957 5.094
421 HB3 ASN 53 HB3 ASN 53 6.697 -3.457 4.320
422 HD21 ASN 53 HD21 ASN 53 9.073 -1.338 4.172
423 HD22 ASN 53 HD22 ASN 53 9.302 -1.201 2.434
424 H PHE 54 H PHE 54 2.864 -1.243 3.405
425 HA PHE 54 HA PHE 54 1.858 -3.720 2.559
426 HB2 PHE 54 HB2 PHE 54 -0.080 -2.521 1.823
427 HB3 PHE 54 HB3 PHE 54 0.488 -1.859 3.333
428 HD1 PHE 54 HD2 PHE 54 0.412 -1.255 -0.377
429 HD2 PHE 54 HD1 PHE 54 0.872 0.502 3.534
430 HE1 PHE 54 HE2 PHE 54 0.340 1.009 -1.377
431 HE2 PHE 54 HE1 PHE 54 0.807 2.764 2.526
432 HZ PHE 54 HZ PHE 54 0.543 3.027 0.067
433 H SER 55 H SER 55 4.013 -1.861 0.738
434 HA SER 55 HA SER 55 4.639 -1.660 -1.447
435 HB2 SER 55 HB2 SER 55 4.009 -4.627 -1.462
436 HB3 SER 55 HB3 SER 55 5.061 -3.773 -2.603
437 HG SER 55 HG SER 55 6.342 -3.124 -0.719
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 36.015 20.478 11.588
2 H2 GLY 1 H2 GLY 1 36.895 20.637 10.217
3 H3 GLY 1 H3 GLY 1 35.527 19.739 10.211
4 HA2 GLY 1 HA2 GLY 1 35.804 22.652 10.333
5 HA3 GLY 1 HA3 GLY 1 34.850 21.700 9.187
6 H SER 2 H SER 2 32.764 22.350 9.569
7 HA SER 2 HA SER 2 31.790 22.637 12.389
8 HB2 SER 2 HB2 SER 2 31.042 24.257 9.932
9 HB3 SER 2 HB3 SER 2 30.334 24.425 11.552
10 HG SER 2 HG SER 2 33.036 24.898 10.788
11 H GLU 3 H GLU 3 31.542 20.161 11.558
12 HA GLU 3 HA GLU 3 29.064 19.501 10.216
13 HB2 GLU 3 HB2 GLU 3 31.124 18.040 10.525
14 HB3 GLU 3 HB3 GLU 3 30.638 17.825 12.211
15 HG2 GLU 3 HG2 GLU 3 28.493 16.817 11.453
16 HG3 GLU 3 HG3 GLU 3 28.955 17.103 9.771
17 H PHE 4 H PHE 4 27.021 19.127 11.046
18 HA PHE 4 HA PHE 4 26.539 19.223 13.971
19 HB2 PHE 4 HB2 PHE 4 26.474 21.567 13.094
20 HB3 PHE 4 HB3 PHE 4 25.146 21.111 12.041
21 HD1 PHE 4 HD2 PHE 4 26.199 21.074 15.662
22 HD2 PHE 4 HD1 PHE 4 22.922 21.370 12.872
23 HE1 PHE 4 HE2 PHE 4 24.640 21.547 17.540
24 HE2 PHE 4 HE1 PHE 4 21.368 21.850 14.752
25 HZ PHE 4 HZ PHE 4 22.225 21.937 17.087
26 H THR 5 H THR 5 26.346 16.946 13.317
27 HA THR 5 HA THR 5 25.231 15.048 12.780
28 HB THR 5 HB THR 5 22.676 16.528 13.476
29 HG1 THR 5 HG1 THR 5 23.208 16.094 15.600
30 HG21 THR 5 HG21 THR 5 22.217 14.200 12.883
31 HG22 THR 5 HG22 THR 5 22.178 14.323 14.636
32 HG23 THR 5 HG23 THR 5 23.603 13.632 13.834
33 H SER 6 H SER 6 25.857 16.678 10.574
34 HA SER 6 HA SER 6 23.831 17.119 8.708
35 HB2 SER 6 HB2 SER 6 26.701 16.378 8.047
36 HB3 SER 6 HB3 SER 6 25.604 17.418 7.122
37 HG SER 6 HG SER 6 27.009 18.706 8.315
38 H SER 7 H SER 7 25.506 14.114 9.384
39 HA SER 7 HA SER 7 23.720 12.480 7.779
40 HB2 SER 7 HB2 SER 7 25.262 13.284 6.028
41 HB3 SER 7 HB3 SER 7 26.662 12.792 6.987
42 HG SER 7 HG SER 7 26.155 11.260 5.387
43 HA PRO 8 HA PRO 8 25.167 9.724 11.066
44 HB2 PRO 8 HB2 PRO 8 24.388 7.257 10.160
45 HB3 PRO 8 HB3 PRO 8 23.243 8.510 10.722
46 HG2 PRO 8 HG2 PRO 8 24.072 7.913 7.866
47 HG3 PRO 8 HG3 PRO 8 22.409 8.059 8.527
48 HD2 PRO 8 HD2 PRO 8 23.612 10.147 7.303
49 HD3 PRO 8 HD3 PRO 8 22.609 10.408 8.754
50 H ARG 9 H ARG 9 26.505 7.673 11.381
51 HA ARG 9 HA ARG 9 28.693 7.317 9.382
52 HB2 ARG 9 HB2 ARG 9 29.253 9.148 11.019
53 HB3 ARG 9 HB3 ARG 9 29.127 7.974 12.334
54 HG2 ARG 9 HG2 ARG 9 31.005 6.679 11.375
55 HG3 ARG 9 HG3 ARG 9 31.059 7.775 9.975
56 HD2 ARG 9 HD2 ARG 9 31.541 9.670 11.525
57 HD3 ARG 9 HD3 ARG 9 31.583 8.527 12.884
58 HE ARG 9 HE ARG 9 33.393 7.485 11.053
59 HH11 ARG 9 HH11 ARG 9 33.182 10.564 12.718
60 HH12 ARG 9 HH12 ARG 9 34.900 10.836 12.618
61 HH21 ARG 9 HH21 ARG 9 35.574 7.896 10.965
62 HH22 ARG 9 HH22 ARG 9 36.211 9.360 11.656
63 H GLY 10 H GLY 10 29.575 5.321 9.327
64 HA2 GLY 10 HA2 GLY 10 28.785 3.216 11.292
65 HA3 GLY 10 HA3 GLY 10 28.334 3.046 9.590
66 H ASP 11 H ASP 11 31.310 4.357 10.981
67 HA ASP 11 HA ASP 11 32.983 2.347 9.522
68 HB2 ASP 11 HB2 ASP 11 33.234 5.384 9.577
69 HB3 ASP 11 HB3 ASP 11 34.406 4.283 8.848
70 H LYS 12 H LYS 12 32.427 2.002 12.177
71 HA LYS 12 HA LYS 12 34.996 2.545 13.587
72 HB2 LYS 12 HB2 LYS 12 33.312 4.391 13.998
73 HB3 LYS 12 HB3 LYS 12 32.247 3.199 14.751
74 HG2 LYS 12 HG2 LYS 12 33.807 2.843 16.565
75 HG3 LYS 12 HG3 LYS 12 35.103 3.664 15.683
76 HD2 LYS 12 HD2 LYS 12 34.328 5.166 17.395
77 HD3 LYS 12 HD3 LYS 12 33.891 5.799 15.819
78 HE2 LYS 12 HE2 LYS 12 32.033 6.220 17.171
79 HE3 LYS 12 HE3 LYS 12 31.542 4.857 16.167
80 HZ1 LYS 12 HZ1 LYS 12 31.022 4.679 18.618
81 HZ2 LYS 12 HZ2 LYS 12 32.613 4.541 18.927
82 HZ3 LYS 12 HZ3 LYS 12 31.822 3.394 18.047
83 H ALA 13 H ALA 13 35.613 0.968 14.996
84 HA ALA 13 HA ALA 13 34.443 -1.638 14.810
85 HB1 ALA 13 HB1 ALA 13 36.501 -0.516 16.767
86 HB2 ALA 13 HB2 ALA 13 36.191 -2.236 16.452
87 HB3 ALA 13 HB3 ALA 13 36.849 -1.209 15.165
88 H ALA 14 H ALA 14 34.258 0.824 17.375
89 HA ALA 14 HA ALA 14 32.580 -0.825 19.123
90 HB1 ALA 14 HB1 ALA 14 32.646 1.170 20.581
91 HB2 ALA 14 HB2 ALA 14 34.266 0.649 20.086
92 HB3 ALA 14 HB3 ALA 14 33.522 2.068 19.320
93 H TYR 15 H TYR 15 31.070 -1.083 17.139
94 HA TYR 15 HA TYR 15 29.000 1.070 17.092
95 HB2 TYR 15 HB2 TYR 15 28.189 0.150 15.089
96 HB3 TYR 15 HB3 TYR 15 29.923 0.295 14.932
97 HD1 TYR 15 HD2 TYR 15 31.367 -1.775 14.897
98 HD2 TYR 15 HD1 TYR 15 27.058 -1.996 15.017
99 HE1 TYR 15 HE2 TYR 15 31.472 -4.160 14.204
100 HE2 TYR 15 HE1 TYR 15 27.167 -4.382 14.289
101 HH TYR 15 HH TYR 15 30.307 -6.023 13.667
102 H ASP 16 H ASP 16 29.580 -1.825 18.731
103 HA ASP 16 HA ASP 16 26.857 -2.823 18.877
104 HB2 ASP 16 HB2 ASP 16 28.920 -4.205 19.084
105 HB3 ASP 16 HB3 ASP 16 29.286 -3.406 20.614
106 H ILE 17 H ILE 17 28.746 -0.558 20.857
107 HA ILE 17 HA ILE 17 26.834 -0.443 23.052
108 HB ILE 17 HB ILE 17 29.110 0.067 23.458
109 HG12 ILE 17 HG12 ILE 17 27.210 1.267 24.704
110 HG13 ILE 17 HG13 ILE 17 28.875 1.747 24.956
111 HG21 ILE 17 HG21 ILE 17 29.909 0.967 21.344
112 HG22 ILE 17 HG22 ILE 17 28.952 2.446 21.568
113 HG23 ILE 17 HG23 ILE 17 30.287 2.068 22.667
114 HD11 ILE 17 HD11 ILE 17 27.329 3.673 24.859
115 HD12 ILE 17 HD12 ILE 17 28.603 3.767 23.637
116 HD13 ILE 17 HD13 ILE 17 26.955 3.304 23.172
117 H LEU 18 H LEU 18 27.351 1.427 20.083
118 HA LEU 18 HA LEU 18 25.333 3.431 20.526
119 HB2 LEU 18 HB2 LEU 18 26.490 2.259 17.955
120 HB3 LEU 18 HB3 LEU 18 25.474 3.691 18.025
121 HG LEU 18 HG LEU 18 28.197 3.494 19.379
122 HD11 LEU 18 HD11 LEU 18 27.425 4.832 16.761
123 HD12 LEU 18 HD12 LEU 18 28.397 3.353 16.921
124 HD13 LEU 18 HD13 LEU 18 29.010 4.901 17.536
125 HD21 LEU 18 HD21 LEU 18 26.767 5.203 20.396
126 HD22 LEU 18 HD22 LEU 18 26.361 5.871 18.802
127 HD23 LEU 18 HD23 LEU 18 28.019 5.977 19.435
128 H ARG 19 H ARG 19 23.258 3.610 19.590
129 HA ARG 19 HA ARG 19 21.934 1.040 18.779
130 HB2 ARG 19 HB2 ARG 19 21.283 2.239 21.035
131 HB3 ARG 19 HB3 ARG 19 20.479 3.399 19.984
132 HG2 ARG 19 HG2 ARG 19 18.866 1.782 20.726
133 HG3 ARG 19 HG3 ARG 19 19.130 1.486 19.005
134 HD2 ARG 19 HD2 ARG 19 20.453 -0.479 19.472
135 HD3 ARG 19 HD3 ARG 19 20.655 -0.009 21.170
136 HE ARG 19 HE ARG 19 17.877 -0.493 20.333
137 HH11 ARG 19 HH11 ARG 19 20.712 -2.011 21.721
138 HH12 ARG 19 HH12 ARG 19 19.774 -3.220 22.557
139 HH21 ARG 19 HH21 ARG 19 16.736 -2.059 21.438
140 HH22 ARG 19 HH22 ARG 19 17.585 -3.244 22.387
141 H ARG 20 H ARG 20 20.853 0.984 16.947
142 HA ARG 20 HA ARG 20 20.929 3.335 15.087
143 HB2 ARG 20 HB2 ARG 20 20.936 0.313 14.652
144 HB3 ARG 20 HB3 ARG 20 20.761 1.475 13.338
145 HG2 ARG 20 HG2 ARG 20 22.955 2.272 13.535
146 HG3 ARG 20 HG3 ARG 20 23.136 1.709 15.202
147 HD2 ARG 20 HD2 ARG 20 24.497 0.331 13.830
148 HD3 ARG 20 HD3 ARG 20 23.137 -0.632 14.419
149 HE ARG 20 HE ARG 20 22.740 0.581 11.765
150 HH11 ARG 20 HH11 ARG 20 23.958 -2.275 13.389
151 HH12 ARG 20 HH12 ARG 20 23.842 -3.258 11.956
152 HH21 ARG 20 HH21 ARG 20 22.620 -0.729 9.968
153 HH22 ARG 20 HH22 ARG 20 23.107 -2.396 10.074
154 H CYS 21 H CYS 21 19.141 3.851 13.875
155 HA CYS 21 HA CYS 21 16.506 2.818 14.847
156 HB2 CYS 21 HB2 CYS 21 17.138 5.146 15.455
157 HB3 CYS 21 HB3 CYS 21 17.259 5.539 13.737
158 H SER 22 H SER 22 15.690 1.424 13.426
159 HA SER 22 HA SER 22 16.501 1.097 10.729
160 HB2 SER 22 HB2 SER 22 15.451 -0.591 12.337
161 HB3 SER 22 HB3 SER 22 13.881 0.103 11.901
162 HG SER 22 HG SER 22 14.414 -0.416 9.687
163 H GLN 23 H GLN 23 14.566 3.571 11.839
164 HA GLN 23 HA GLN 23 13.224 3.962 9.202
165 HB2 GLN 23 HB2 GLN 23 11.891 3.422 11.460
166 HB3 GLN 23 HB3 GLN 23 12.174 5.129 11.775
167 HG2 GLN 23 HG2 GLN 23 10.040 4.993 10.769
168 HG3 GLN 23 HG3 GLN 23 11.084 5.583 9.486
169 HE21 GLN 23 HE21 GLN 23 8.908 3.038 10.457
170 HE22 GLN 23 HE22 GLN 23 9.113 2.057 9.013
171 H CYS 24 H CYS 24 15.658 5.190 11.177
172 HA CYS 24 HA CYS 24 15.463 7.938 9.997
173 HB2 CYS 24 HB2 CYS 24 16.496 7.278 12.767
174 HB3 CYS 24 HB3 CYS 24 16.202 8.865 12.071
175 H GLY 25 H GLY 25 17.607 5.263 10.905
176 HA2 GLY 25 HA2 GLY 25 19.685 4.718 10.125
177 HA3 GLY 25 HA3 GLY 25 19.711 6.179 9.142
178 H ILE 26 H ILE 26 19.184 7.455 12.086
179 HA ILE 26 HA ILE 26 21.888 8.312 12.550
180 HB ILE 26 HB ILE 26 19.855 9.651 12.947
181 HG12 ILE 26 HG12 ILE 26 21.442 9.449 15.523
182 HG13 ILE 26 HG13 ILE 26 22.115 10.103 14.039
183 HG21 ILE 26 HG21 ILE 26 18.386 7.939 13.950
184 HG22 ILE 26 HG22 ILE 26 19.416 7.859 15.380
185 HG23 ILE 26 HG23 ILE 26 18.518 9.338 15.007
186 HD11 ILE 26 HD11 ILE 26 19.664 11.208 15.480
187 HD12 ILE 26 HD12 ILE 26 21.297 11.884 15.493
188 HD13 ILE 26 HD13 ILE 26 20.373 11.851 13.981
189 H LEU 27 H LEU 27 23.117 8.096 14.554
190 HA LEU 27 HA LEU 27 22.680 5.590 16.102
191 HB2 LEU 27 HB2 LEU 27 25.316 6.603 14.946
192 HB3 LEU 27 HB3 LEU 27 25.184 5.467 16.277
193 HG LEU 27 HG LEU 27 23.733 4.027 14.684
194 HD11 LEU 27 HD11 LEU 27 23.508 5.547 12.779
195 HD12 LEU 27 HD12 LEU 27 24.506 4.184 12.292
196 HD13 LEU 27 HD13 LEU 27 25.265 5.742 12.681
197 HD21 LEU 27 HD21 LEU 27 25.783 2.928 13.805
198 HD22 LEU 27 HD22 LEU 27 25.923 3.342 15.514
199 HD23 LEU 27 HD23 LEU 27 26.733 4.349 14.288
200 H LEU 28 H LEU 28 22.620 5.897 18.211
201 HA LEU 28 HA LEU 28 23.840 8.333 19.459
202 HB2 LEU 28 HB2 LEU 28 21.175 7.029 20.157
203 HB3 LEU 28 HB3 LEU 28 21.933 8.328 21.039
204 HG LEU 28 HG LEU 28 20.213 9.333 19.925
205 HD11 LEU 28 HD11 LEU 28 21.137 10.958 18.462
206 HD12 LEU 28 HD12 LEU 28 22.489 9.909 18.018
207 HD13 LEU 28 HD13 LEU 28 22.379 10.554 19.664
208 HD21 LEU 28 HD21 LEU 28 19.644 7.537 18.345
209 HD22 LEU 28 HD22 LEU 28 20.960 8.052 17.287
210 HD23 LEU 28 HD23 LEU 28 19.605 9.145 17.608
211 HA PRO 29 HA PRO 29 25.677 5.320 22.174
212 HB2 PRO 29 HB2 PRO 29 26.271 6.788 24.417
213 HB3 PRO 29 HB3 PRO 29 27.123 6.947 22.854
214 HG2 PRO 29 HG2 PRO 29 24.891 8.683 23.934
215 HG3 PRO 29 HG3 PRO 29 26.419 9.192 23.158
216 HD2 PRO 29 HD2 PRO 29 24.066 9.051 21.782
217 HD3 PRO 29 HD3 PRO 29 25.628 8.643 21.018
218 H LEU 30 H LEU 30 23.571 7.304 24.293
219 HA LEU 30 HA LEU 30 21.717 5.223 24.932
220 HB2 LEU 30 HB2 LEU 30 23.423 4.113 26.131
221 HB3 LEU 30 HB3 LEU 30 24.056 5.588 26.819
222 HG LEU 30 HG LEU 30 22.030 5.764 28.273
223 HD11 LEU 30 HD11 LEU 30 21.318 3.041 27.095
224 HD12 LEU 30 HD12 LEU 30 20.384 4.538 26.886
225 HD13 LEU 30 HD13 LEU 30 20.530 3.811 28.489
226 HD21 LEU 30 HD21 LEU 30 24.078 4.625 29.046
227 HD22 LEU 30 HD22 LEU 30 23.462 3.083 28.413
228 HD23 LEU 30 HD23 LEU 30 22.623 3.903 29.750
229 HA PRO 31 HA PRO 31 20.581 8.857 27.702
230 HB2 PRO 31 HB2 PRO 31 22.152 11.099 28.029
231 HB3 PRO 31 HB3 PRO 31 22.230 9.636 29.053
232 HG2 PRO 31 HG2 PRO 31 24.009 10.375 26.725
233 HG3 PRO 31 HG3 PRO 31 24.482 9.733 28.325
234 HD2 PRO 31 HD2 PRO 31 24.281 8.114 26.157
235 HD3 PRO 31 HD3 PRO 31 23.787 7.568 27.784
236 H ILE 32 H ILE 32 22.459 10.104 24.878
237 HA ILE 32 HA ILE 32 20.464 12.074 24.163
238 HB ILE 32 HB ILE 32 22.605 10.832 22.391
239 HG12 ILE 32 HG12 ILE 32 23.432 13.416 22.974
240 HG13 ILE 32 HG13 ILE 32 22.668 12.980 24.491
241 HG21 ILE 32 HG21 ILE 32 22.343 12.902 21.043
242 HG22 ILE 32 HG22 ILE 32 20.869 11.947 21.043
243 HG23 ILE 32 HG23 ILE 32 20.976 13.392 22.069
244 HD11 ILE 32 HD11 ILE 32 25.047 12.465 24.557
245 HD12 ILE 32 HD12 ILE 32 24.162 10.929 24.552
246 HD13 ILE 32 HD13 ILE 32 24.932 11.513 23.063
247 H LEU 33 H LEU 33 20.689 8.607 23.553
248 HA LEU 33 HA LEU 33 18.808 8.427 21.416
249 HB2 LEU 33 HB2 LEU 33 20.237 6.521 22.273
250 HB3 LEU 33 HB3 LEU 33 19.201 6.460 23.699
251 HG LEU 33 HG LEU 33 17.239 5.958 22.201
252 HD11 LEU 33 HD11 LEU 33 17.663 5.117 19.931
253 HD12 LEU 33 HD12 LEU 33 19.361 5.582 20.061
254 HD13 LEU 33 HD13 LEU 33 18.097 6.837 20.053
255 HD21 LEU 33 HD21 LEU 33 17.880 3.618 21.800
256 HD22 LEU 33 HD22 LEU 33 18.379 4.193 23.394
257 HD23 LEU 33 HD23 LEU 33 19.582 4.036 22.113
258 H ASN 34 H ASN 34 18.269 9.025 24.889
259 HA ASN 34 HA ASN 34 15.528 8.361 25.000
260 HB2 ASN 34 HB2 ASN 34 17.088 8.945 26.916
261 HB3 ASN 34 HB3 ASN 34 16.930 10.641 26.458
262 HD21 ASN 34 HD21 ASN 34 15.954 11.232 28.459
263 HD22 ASN 34 HD22 ASN 34 14.332 10.695 28.870
264 H GLN 35 H GLN 35 17.051 11.385 23.821
265 HA GLN 35 HA GLN 35 14.556 12.785 23.352
266 HB2 GLN 35 HB2 GLN 35 16.729 13.932 23.657
267 HB3 GLN 35 HB3 GLN 35 17.312 13.241 22.133
268 HG2 GLN 35 HG2 GLN 35 15.492 14.432 20.907
269 HG3 GLN 35 HG3 GLN 35 14.886 15.079 22.435
270 HE21 GLN 35 HE21 GLN 35 17.779 15.074 20.269
271 HE22 GLN 35 HE22 GLN 35 18.303 16.678 20.762
272 H HIS 36 H HIS 36 16.732 10.826 21.192
273 HA HIS 36 HA HIS 36 15.063 11.198 18.871
274 HB2 HIS 36 HB2 HIS 36 17.405 10.304 18.769
275 HB3 HIS 36 HB3 HIS 36 16.817 8.777 19.438
276 HD1 HIS 36 HD1 HIS 36 16.472 10.979 16.295
277 HD2 HIS 36 HD2 HIS 36 15.412 7.171 17.720
278 HE1 HIS 36 HE1 HIS 36 15.501 9.745 14.314
279 H GLN 37 H GLN 37 15.085 8.663 21.406
280 HA GLN 37 HA GLN 37 13.160 6.966 20.331
281 HB2 GLN 37 HB2 GLN 37 14.673 6.522 22.273
282 HB3 GLN 37 HB3 GLN 37 13.680 7.577 23.271
283 HG2 GLN 37 HG2 GLN 37 13.162 5.231 23.680
284 HG3 GLN 37 HG3 GLN 37 11.757 6.057 23.008
285 HE21 GLN 37 HE21 GLN 37 14.682 4.504 21.450
286 HE22 GLN 37 HE22 GLN 37 13.702 3.460 20.429
287 H GLU 38 H GLU 38 12.494 9.686 22.690
288 HA GLU 38 HA GLU 38 9.667 9.269 22.549
289 HB2 GLU 38 HB2 GLU 38 9.375 11.366 23.637
290 HB3 GLU 38 HB3 GLU 38 10.704 10.484 24.382
291 HG2 GLU 38 HG2 GLU 38 12.334 11.939 23.219
292 HG3 GLU 38 HG3 GLU 38 11.017 12.798 22.420
293 H LYS 39 H LYS 39 11.753 11.328 20.498
294 HA LYS 39 HA LYS 39 9.528 12.613 19.156
295 HB2 LYS 39 HB2 LYS 39 11.926 13.427 19.519
296 HB3 LYS 39 HB3 LYS 39 12.414 12.405 18.180
297 HG2 LYS 39 HG2 LYS 39 10.239 14.553 18.008
298 HG3 LYS 39 HG3 LYS 39 11.940 14.911 17.783
299 HD2 LYS 39 HD2 LYS 39 10.288 13.097 15.978
300 HD3 LYS 39 HD3 LYS 39 10.786 14.756 15.662
301 HE2 LYS 39 HE2 LYS 39 13.203 13.994 15.926
302 HE3 LYS 39 HE3 LYS 39 12.604 12.328 15.946
303 HZ1 LYS 39 HZ1 LYS 39 11.654 12.728 13.730
304 HZ2 LYS 39 HZ2 LYS 39 13.260 13.019 13.707
305 HZ3 LYS 39 HZ3 LYS 39 12.214 14.266 13.726
306 H CYS 40 H CYS 40 11.701 9.963 18.224
307 HA CYS 40 HA CYS 40 10.611 9.343 15.678
308 HB2 CYS 40 HB2 CYS 40 12.840 8.767 16.793
309 HB3 CYS 40 HB3 CYS 40 11.997 7.488 17.664
310 H ARG 41 H ARG 41 9.891 7.983 18.956
311 HA ARG 41 HA ARG 41 7.721 6.257 18.240
312 HB2 ARG 41 HB2 ARG 41 8.373 7.824 20.766
313 HB3 ARG 41 HB3 ARG 41 6.943 6.827 20.660
314 HG2 ARG 41 HG2 ARG 41 9.648 5.627 19.999
315 HG3 ARG 41 HG3 ARG 41 9.154 5.834 21.680
316 HD2 ARG 41 HD2 ARG 41 7.534 4.316 19.602
317 HD3 ARG 41 HD3 ARG 41 8.670 3.567 20.737
318 HE ARG 41 HE ARG 41 7.001 5.036 22.377
319 HH11 ARG 41 HH11 ARG 41 6.420 2.436 20.106
320 HH12 ARG 41 HH12 ARG 41 4.982 1.909 20.939
321 HH21 ARG 41 HH21 ARG 41 5.165 4.326 23.385
322 HH22 ARG 41 HH22 ARG 41 4.301 2.953 22.758
323 H TRP 42 H TRP 42 7.557 9.707 19.300
324 HA TRP 42 HA TRP 42 4.736 9.880 19.066
325 HB2 TRP 42 HB2 TRP 42 6.322 11.456 20.250
326 HB3 TRP 42 HB3 TRP 42 6.697 12.168 18.686
327 HD1 TRP 42 HD1 TRP 42 4.181 12.092 21.460
328 HE1 TRP 42 HE1 TRP 42 2.301 13.796 21.071
329 HE3 TRP 42 HE3 TRP 42 5.266 13.412 16.620
330 HZ2 TRP 42 HZ2 TRP 42 1.365 15.484 18.932
331 HZ3 TRP 42 HZ3 TRP 42 3.846 15.068 15.431
332 HH2 TRP 42 HH2 TRP 42 1.897 16.107 16.571
333 H LEU 43 H LEU 43 7.254 10.711 16.633
334 HA LEU 43 HA LEU 43 5.432 11.568 14.625
335 HB2 LEU 43 HB2 LEU 43 7.893 12.056 14.769
336 HB3 LEU 43 HB3 LEU 43 8.230 10.381 14.341
337 HG LEU 43 HG LEU 43 7.095 10.762 12.135
338 HD11 LEU 43 HD11 LEU 43 6.692 13.134 11.432
339 HD12 LEU 43 HD12 LEU 43 6.920 13.662 13.110
340 HD13 LEU 43 HD13 LEU 43 5.561 12.607 12.672
341 HD21 LEU 43 HD21 LEU 43 9.277 12.774 12.789
342 HD22 LEU 43 HD22 LEU 43 8.865 12.169 11.174
343 HD23 LEU 43 HD23 LEU 43 9.532 11.054 12.393
344 H ALA 44 H ALA 44 6.924 8.318 15.163
345 HA ALA 44 HA ALA 44 5.630 7.055 12.932
346 HB1 ALA 44 HB1 ALA 44 6.374 4.975 14.022
347 HB2 ALA 44 HB2 ALA 44 7.666 6.191 14.021
348 HB3 ALA 44 HB3 ALA 44 6.745 5.869 15.511
349 H SER 45 H SER 45 4.604 7.486 16.339
350 HA SER 45 HA SER 45 2.188 5.921 16.163
351 HB2 SER 45 HB2 SER 45 3.257 6.630 18.275
352 HB3 SER 45 HB3 SER 45 2.844 8.317 17.930
353 HG SER 45 HG SER 45 0.948 7.899 18.756
354 H SER 46 H SER 46 2.850 9.393 15.607
355 HA SER 46 HA SER 46 0.177 10.146 14.913
356 HB2 SER 46 HB2 SER 46 1.980 11.659 15.710
357 HB3 SER 46 HB3 SER 46 2.823 11.448 14.164
358 HG SER 46 HG SER 46 1.430 13.341 14.298
359 H LYS 47 H LYS 47 2.728 8.683 13.008
360 HA LYS 47 HA LYS 47 3.034 8.146 10.822
361 HB2 LYS 47 HB2 LYS 47 -0.009 8.036 10.740
362 HB3 LYS 47 HB3 LYS 47 1.052 7.367 9.515
363 HG2 LYS 47 HG2 LYS 47 1.042 6.415 12.405
364 HG3 LYS 47 HG3 LYS 47 0.074 5.720 11.107
365 HD2 LYS 47 HD2 LYS 47 2.163 5.198 9.824
366 HD3 LYS 47 HD3 LYS 47 3.117 5.851 11.157
367 HE2 LYS 47 HE2 LYS 47 3.127 3.501 11.454
368 HE3 LYS 47 HE3 LYS 47 2.049 4.155 12.691
369 HZ1 LYS 47 HZ1 LYS 47 1.091 2.204 11.581
370 HZ2 LYS 47 HZ2 LYS 47 1.174 2.922 10.123
371 HZ3 LYS 47 HZ3 LYS 47 0.162 3.508 11.267
372 H GLY 48 H GLY 48 2.909 10.973 11.495
373 HA2 GLY 48 HA2 GLY 48 1.383 12.463 9.598
374 HA3 GLY 48 HA3 GLY 48 2.698 13.086 10.597
375 H LYS 49 H LYS 49 4.917 11.797 9.658
376 HA LYS 49 HA LYS 49 5.309 12.868 6.931
377 HB2 LYS 49 HB2 LYS 49 6.987 12.796 9.052
378 HB3 LYS 49 HB3 LYS 49 7.417 11.237 8.342
379 HG2 LYS 49 HG2 LYS 49 7.742 12.550 6.122
380 HG3 LYS 49 HG3 LYS 49 7.565 14.016 7.101
381 HD2 LYS 49 HD2 LYS 49 9.469 13.079 8.564
382 HD3 LYS 49 HD3 LYS 49 9.723 11.873 7.300
383 HE2 LYS 49 HE2 LYS 49 9.935 14.909 7.038
384 HE3 LYS 49 HE3 LYS 49 11.275 13.760 7.072
385 HZ1 LYS 49 HZ1 LYS 49 10.419 12.829 4.966
386 HZ2 LYS 49 HZ2 LYS 49 10.800 14.405 4.811
387 HZ3 LYS 49 HZ3 LYS 49 9.238 13.965 4.921
388 H GLN 50 H GLN 50 6.206 11.532 5.206
389 HA GLN 50 HA GLN 50 5.456 8.628 5.308
390 HB2 GLN 50 HB2 GLN 50 5.190 10.566 2.984
391 HB3 GLN 50 HB3 GLN 50 5.061 8.802 2.867
392 HG2 GLN 50 HG2 GLN 50 3.174 8.855 4.523
393 HG3 GLN 50 HG3 GLN 50 3.264 10.617 4.529
394 HE21 GLN 50 HE21 GLN 50 0.939 10.465 3.838
395 HE22 GLN 50 HE22 GLN 50 0.616 10.211 2.127
396 H VAL 51 H VAL 51 7.342 7.763 5.803
397 HA VAL 51 HA VAL 51 9.912 8.527 4.719
398 HB VAL 51 HB VAL 51 10.759 6.540 5.850
399 HG11 VAL 51 HG11 VAL 51 10.228 7.175 8.114
400 HG12 VAL 51 HG12 VAL 51 10.293 8.638 7.129
401 HG13 VAL 51 HG13 VAL 51 8.723 7.958 7.621
402 HG21 VAL 51 HG21 VAL 51 8.975 4.908 5.455
403 HG22 VAL 51 HG22 VAL 51 9.261 5.086 7.185
404 HG23 VAL 51 HG23 VAL 51 7.844 5.850 6.452
405 H ARG 52 H ARG 52 11.347 7.111 3.510
406 HA ARG 52 HA ARG 52 9.977 5.812 1.209
407 HB2 ARG 52 HB2 ARG 52 11.600 7.700 0.844
408 HB3 ARG 52 HB3 ARG 52 12.875 6.691 1.516
409 HG2 ARG 52 HG2 ARG 52 13.091 6.512 -0.824
410 HG3 ARG 52 HG3 ARG 52 12.352 4.988 -0.338
411 HD2 ARG 52 HD2 ARG 52 10.113 5.884 -0.999
412 HD3 ARG 52 HD3 ARG 52 10.862 7.400 -1.493
413 HE ARG 52 HE ARG 52 10.794 4.881 -2.948
414 HH11 ARG 52 HH11 ARG 52 12.690 7.823 -2.686
415 HH12 ARG 52 HH12 ARG 52 13.368 7.623 -4.280
416 HH21 ARG 52 HH21 ARG 52 11.685 4.709 -4.965
417 HH22 ARG 52 HH22 ARG 52 12.804 5.915 -5.531
418 H ASN 53 H ASN 53 9.427 3.838 2.037
419 HA ASN 53 HA ASN 53 11.604 1.851 2.148
420 HB2 ASN 53 HB2 ASN 53 11.216 2.605 4.517
421 HB3 ASN 53 HB3 ASN 53 9.520 2.141 4.370
422 HD21 ASN 53 HD21 ASN 53 12.841 0.757 3.969
423 HD22 ASN 53 HD22 ASN 53 12.383 -0.820 4.595
424 H PHE 54 H PHE 54 10.853 -0.338 1.794
425 HA PHE 54 HA PHE 54 8.212 -0.518 0.396
426 HB2 PHE 54 HB2 PHE 54 9.247 -2.035 -1.176
427 HB3 PHE 54 HB3 PHE 54 10.069 -0.488 -1.181
428 HD1 PHE 54 HD1 PHE 54 10.358 -4.079 -0.327
429 HD2 PHE 54 HD2 PHE 54 12.398 -0.276 -0.380
430 HE1 PHE 54 HE1 PHE 54 12.523 -5.232 0.058
431 HE2 PHE 54 HE2 PHE 54 14.561 -1.436 0.009
432 HZ PHE 54 HZ PHE 54 14.626 -3.913 0.230
433 H SER 55 H SER 55 7.095 -2.458 0.478
434 HA SER 55 HA SER 55 7.407 -3.944 3.021
435 HB2 SER 55 HB2 SER 55 5.105 -3.881 1.033
436 HB3 SER 55 HB3 SER 55 5.090 -4.632 2.640
437 HG SER 55 HG SER 55 5.477 -2.540 3.547
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 15.438 26.371 7.732
2 H2 GLY 1 H2 GLY 1 14.583 27.300 8.775
3 H3 GLY 1 H3 GLY 1 13.953 25.885 8.240
4 HA2 GLY 1 HA2 GLY 1 16.341 26.153 9.963
5 HA3 GLY 1 HA3 GLY 1 14.732 25.652 10.504
6 H SER 2 H SER 2 17.594 24.685 8.660
7 HA SER 2 HA SER 2 16.648 22.001 8.008
8 HB2 SER 2 HB2 SER 2 18.440 23.132 6.730
9 HB3 SER 2 HB3 SER 2 19.471 23.116 8.175
10 HG SER 2 HG SER 2 19.869 21.339 6.752
11 H GLU 3 H GLU 3 17.048 20.094 9.081
12 HA GLU 3 HA GLU 3 17.647 20.183 11.964
13 HB2 GLU 3 HB2 GLU 3 17.051 17.862 10.080
14 HB3 GLU 3 HB3 GLU 3 17.218 17.745 11.838
15 HG2 GLU 3 HG2 GLU 3 15.313 19.325 12.121
16 HG3 GLU 3 HG3 GLU 3 15.089 19.357 10.371
17 H PHE 4 H PHE 4 19.468 19.653 9.063
18 HA PHE 4 HA PHE 4 21.386 18.608 8.495
19 HB2 PHE 4 HB2 PHE 4 22.266 19.939 11.073
20 HB3 PHE 4 HB3 PHE 4 23.366 19.291 9.869
21 HD1 PHE 4 HD2 PHE 4 23.084 20.116 7.398
22 HD2 PHE 4 HD1 PHE 4 21.656 22.238 10.872
23 HE1 PHE 4 HE2 PHE 4 23.111 22.240 6.111
24 HE2 PHE 4 HE1 PHE 4 21.708 24.365 9.589
25 HZ PHE 4 HZ PHE 4 22.430 24.369 7.206
26 H THR 5 H THR 5 19.603 16.850 10.187
27 HA THR 5 HA THR 5 21.194 15.085 11.762
28 HB THR 5 HB THR 5 19.263 13.440 11.218
29 HG1 THR 5 HG1 THR 5 18.479 14.504 9.381
30 HG21 THR 5 HG21 THR 5 17.732 14.666 12.741
31 HG22 THR 5 HG22 THR 5 18.747 16.119 12.573
32 HG23 THR 5 HG23 THR 5 19.406 14.651 13.323
33 H SER 6 H SER 6 22.794 13.877 11.171
34 HA SER 6 HA SER 6 22.708 12.125 8.817
35 HB2 SER 6 HB2 SER 6 24.915 12.894 7.999
36 HB3 SER 6 HB3 SER 6 23.673 14.140 7.840
37 HG SER 6 HG SER 6 24.498 15.186 9.646
38 H SER 7 H SER 7 24.686 10.670 8.816
39 HA SER 7 HA SER 7 25.697 10.100 11.554
40 HB2 SER 7 HB2 SER 7 25.027 7.712 11.240
41 HB3 SER 7 HB3 SER 7 23.671 8.838 11.353
42 HG SER 7 HG SER 7 23.411 7.301 9.678
43 HA PRO 8 HA PRO 8 29.485 9.154 9.566
44 HB2 PRO 8 HB2 PRO 8 30.610 7.210 11.161
45 HB3 PRO 8 HB3 PRO 8 30.422 8.921 11.645
46 HG2 PRO 8 HG2 PRO 8 28.591 6.591 12.300
47 HG3 PRO 8 HG3 PRO 8 29.251 7.834 13.419
48 HD2 PRO 8 HD2 PRO 8 26.767 8.049 12.407
49 HD3 PRO 8 HD3 PRO 8 27.803 9.493 12.592
50 H ARG 9 H ARG 9 30.814 7.488 8.557
51 HA ARG 9 HA ARG 9 29.434 5.027 7.611
52 HB2 ARG 9 HB2 ARG 9 29.946 5.544 5.278
53 HB3 ARG 9 HB3 ARG 9 28.877 6.759 5.968
54 HG2 ARG 9 HG2 ARG 9 30.728 8.349 6.192
55 HG3 ARG 9 HG3 ARG 9 31.897 7.123 5.670
56 HD2 ARG 9 HD2 ARG 9 30.795 6.985 3.469
57 HD3 ARG 9 HD3 ARG 9 29.614 8.199 3.958
58 HE ARG 9 HE ARG 9 32.478 8.603 3.304
59 HH11 ARG 9 HH11 ARG 9 29.575 10.177 4.486
60 HH12 ARG 9 HH12 ARG 9 30.228 11.771 4.221
61 HH21 ARG 9 HH21 ARG 9 33.248 10.657 3.013
62 HH22 ARG 9 HH22 ARG 9 32.254 12.027 3.411
63 H GLY 10 H GLY 10 30.945 3.681 6.250
64 HA2 GLY 10 HA2 GLY 10 33.097 2.755 5.841
65 HA3 GLY 10 HA3 GLY 10 33.812 3.845 7.021
66 H ASP 11 H ASP 11 34.885 1.834 7.647
67 HA ASP 11 HA ASP 11 33.468 -0.398 8.795
68 HB2 ASP 11 HB2 ASP 11 36.421 0.340 8.810
69 HB3 ASP 11 HB3 ASP 11 35.754 -1.231 9.261
70 H LYS 12 H LYS 12 32.518 1.730 10.240
71 HA LYS 12 HA LYS 12 33.784 2.433 12.667
72 HB2 LYS 12 HB2 LYS 12 31.831 3.598 11.809
73 HB3 LYS 12 HB3 LYS 12 30.843 2.149 11.932
74 HG2 LYS 12 HG2 LYS 12 30.300 3.730 13.710
75 HG3 LYS 12 HG3 LYS 12 30.884 2.210 14.342
76 HD2 LYS 12 HD2 LYS 12 31.839 3.950 15.691
77 HD3 LYS 12 HD3 LYS 12 33.138 3.264 14.743
78 HE2 LYS 12 HE2 LYS 12 33.538 5.553 14.621
79 HE3 LYS 12 HE3 LYS 12 32.773 5.195 13.072
80 HZ1 LYS 12 HZ1 LYS 12 31.422 6.346 15.463
81 HZ2 LYS 12 HZ2 LYS 12 30.660 5.997 14.060
82 HZ3 LYS 12 HZ3 LYS 12 31.808 7.167 14.111
83 H ALA 13 H ALA 13 31.759 -0.409 12.025
84 HA ALA 13 HA ALA 13 31.216 -2.245 13.270
85 HB1 ALA 13 HB1 ALA 13 34.200 -2.084 13.824
86 HB2 ALA 13 HB2 ALA 13 33.197 -3.551 13.853
87 HB3 ALA 13 HB3 ALA 13 33.448 -2.683 12.329
88 H ALA 14 H ALA 14 30.413 -0.082 14.781
89 HA ALA 14 HA ALA 14 30.880 -0.970 17.593
90 HB1 ALA 14 HB1 ALA 14 32.260 1.023 17.122
91 HB2 ALA 14 HB2 ALA 14 30.798 1.914 16.639
92 HB3 ALA 14 HB3 ALA 14 30.981 1.350 18.307
93 H TYR 15 H TYR 15 29.000 -2.118 17.598
94 HA TYR 15 HA TYR 15 26.471 -0.532 17.785
95 HB2 TYR 15 HB2 TYR 15 26.741 -3.291 16.542
96 HB3 TYR 15 HB3 TYR 15 25.280 -2.322 16.656
97 HD1 TYR 15 HD1 TYR 15 25.026 -0.230 15.275
98 HD2 TYR 15 HD2 TYR 15 28.359 -2.927 14.776
99 HE1 TYR 15 HE1 TYR 15 25.536 0.806 13.068
100 HE2 TYR 15 HE2 TYR 15 28.877 -1.871 12.573
101 HH TYR 15 HH TYR 15 26.943 0.835 11.251
102 H ASP 16 H ASP 16 28.624 -2.181 19.561
103 HA ASP 16 HA ASP 16 26.909 -3.865 21.225
104 HB2 ASP 16 HB2 ASP 16 29.757 -2.827 21.547
105 HB3 ASP 16 HB3 ASP 16 28.987 -3.988 22.624
106 H ILE 17 H ILE 17 27.508 -0.510 21.084
107 HA ILE 17 HA ILE 17 26.150 -0.065 23.685
108 HB ILE 17 HB ILE 17 28.462 0.137 24.192
109 HG12 ILE 17 HG12 ILE 17 26.726 1.702 25.200
110 HG13 ILE 17 HG13 ILE 17 28.430 2.024 25.456
111 HG21 ILE 17 HG21 ILE 17 29.490 0.662 22.052
112 HG22 ILE 17 HG22 ILE 17 28.785 2.295 22.071
113 HG23 ILE 17 HG23 ILE 17 29.979 1.821 23.287
114 HD11 ILE 17 HD11 ILE 17 26.725 3.545 23.438
115 HD12 ILE 17 HD12 ILE 17 27.131 4.084 25.071
116 HD13 ILE 17 HD13 ILE 17 28.415 3.875 23.874
117 H LEU 18 H LEU 18 27.253 1.534 20.639
118 HA LEU 18 HA LEU 18 25.178 3.524 20.627
119 HB2 LEU 18 HB2 LEU 18 26.751 2.216 18.375
120 HB3 LEU 18 HB3 LEU 18 25.676 3.583 18.143
121 HG LEU 18 HG LEU 18 28.109 3.687 19.977
122 HD11 LEU 18 HD11 LEU 18 28.820 3.276 17.651
123 HD12 LEU 18 HD12 LEU 18 29.239 4.909 18.181
124 HD13 LEU 18 HD13 LEU 18 27.847 4.660 17.103
125 HD21 LEU 18 HD21 LEU 18 26.404 5.414 20.426
126 HD22 LEU 18 HD22 LEU 18 26.407 5.891 18.719
127 HD23 LEU 18 HD23 LEU 18 27.852 6.131 19.728
128 H ARG 19 H ARG 19 23.143 3.508 19.851
129 HA ARG 19 HA ARG 19 21.940 0.956 18.807
130 HB2 ARG 19 HB2 ARG 19 21.169 1.974 21.084
131 HB3 ARG 19 HB3 ARG 19 20.505 3.290 20.126
132 HG2 ARG 19 HG2 ARG 19 18.653 1.893 20.418
133 HG3 ARG 19 HG3 ARG 19 19.205 1.439 18.817
134 HD2 ARG 19 HD2 ARG 19 18.744 -0.595 19.920
135 HD3 ARG 19 HD3 ARG 19 20.512 -0.472 19.957
136 HE ARG 19 HE ARG 19 19.454 0.715 22.331
137 HH11 ARG 19 HH11 ARG 19 19.777 -2.503 20.985
138 HH12 ARG 19 HH12 ARG 19 19.695 -3.262 22.552
139 HH21 ARG 19 HH21 ARG 19 19.342 -0.315 24.291
140 HH22 ARG 19 HH22 ARG 19 19.457 -2.048 24.370
141 H ARG 20 H ARG 20 20.676 1.085 16.935
142 HA ARG 20 HA ARG 20 20.878 3.622 15.370
143 HB2 ARG 20 HB2 ARG 20 22.638 1.762 14.997
144 HB3 ARG 20 HB3 ARG 20 21.371 0.868 14.174
145 HG2 ARG 20 HG2 ARG 20 22.064 3.739 13.429
146 HG3 ARG 20 HG3 ARG 20 23.052 2.407 12.868
147 HD2 ARG 20 HD2 ARG 20 20.066 2.596 12.305
148 HD3 ARG 20 HD3 ARG 20 21.300 3.266 11.251
149 HE ARG 20 HE ARG 20 20.585 0.462 11.537
150 HH11 ARG 20 HH11 ARG 20 23.214 2.557 10.516
151 HH12 ARG 20 HH12 ARG 20 23.948 1.307 9.551
152 HH21 ARG 20 HH21 ARG 20 21.574 -1.069 10.265
153 HH22 ARG 20 HH22 ARG 20 23.039 -0.679 9.413
154 H CYS 21 H CYS 21 19.077 4.339 14.574
155 HA CYS 21 HA CYS 21 16.583 2.889 14.863
156 HB2 CYS 21 HB2 CYS 21 16.992 5.297 15.387
157 HB3 CYS 21 HB3 CYS 21 17.223 5.605 13.661
158 H SER 22 H SER 22 15.652 1.598 13.386
159 HA SER 22 HA SER 22 16.708 1.104 10.768
160 HB2 SER 22 HB2 SER 22 14.797 -0.447 10.553
161 HB3 SER 22 HB3 SER 22 15.671 -0.650 12.080
162 HG SER 22 HG SER 22 13.375 -0.618 12.354
163 H GLN 23 H GLN 23 14.669 3.614 11.709
164 HA GLN 23 HA GLN 23 13.612 3.982 8.924
165 HB2 GLN 23 HB2 GLN 23 12.363 4.776 11.581
166 HB3 GLN 23 HB3 GLN 23 11.721 5.186 9.986
167 HG2 GLN 23 HG2 GLN 23 11.451 2.777 9.457
168 HG3 GLN 23 HG3 GLN 23 12.065 2.349 11.056
169 HE21 GLN 23 HE21 GLN 23 9.278 3.710 9.310
170 HE22 GLN 23 HE22 GLN 23 8.199 3.621 10.697
171 H CYS 24 H CYS 24 15.821 5.241 11.129
172 HA CYS 24 HA CYS 24 15.724 7.961 9.882
173 HB2 CYS 24 HB2 CYS 24 16.565 7.361 12.725
174 HB3 CYS 24 HB3 CYS 24 16.277 8.928 11.985
175 H GLY 25 H GLY 25 17.815 5.272 10.843
176 HA2 GLY 25 HA2 GLY 25 19.914 4.752 10.092
177 HA3 GLY 25 HA3 GLY 25 19.965 6.257 9.182
178 H ILE 26 H ILE 26 19.392 7.474 12.104
179 HA ILE 26 HA ILE 26 22.100 8.242 12.659
180 HB ILE 26 HB ILE 26 20.166 9.701 12.993
181 HG12 ILE 26 HG12 ILE 26 20.652 10.645 15.205
182 HG13 ILE 26 HG13 ILE 26 21.594 9.227 15.636
183 HG21 ILE 26 HG21 ILE 26 19.355 7.849 15.273
184 HG22 ILE 26 HG22 ILE 26 18.643 9.432 14.919
185 HG23 ILE 26 HG23 ILE 26 18.474 8.114 13.762
186 HD11 ILE 26 HD11 ILE 26 22.224 11.137 13.346
187 HD12 ILE 26 HD12 ILE 26 23.000 11.143 14.942
188 HD13 ILE 26 HD13 ILE 26 23.239 9.766 13.857
189 H LEU 27 H LEU 27 23.403 7.842 14.488
190 HA LEU 27 HA LEU 27 22.813 5.389 16.092
191 HB2 LEU 27 HB2 LEU 27 25.495 6.503 15.157
192 HB3 LEU 27 HB3 LEU 27 25.302 5.337 16.451
193 HG LEU 27 HG LEU 27 24.119 3.815 14.749
194 HD11 LEU 27 HD11 LEU 27 25.604 5.684 12.835
195 HD12 LEU 27 HD12 LEU 27 23.848 5.427 12.880
196 HD13 LEU 27 HD13 LEU 27 24.913 4.107 12.401
197 HD21 LEU 27 HD21 LEU 27 27.084 4.462 14.502
198 HD22 LEU 27 HD22 LEU 27 26.309 2.966 13.941
199 HD23 LEU 27 HD23 LEU 27 26.330 3.344 15.663
200 H LEU 28 H LEU 28 22.558 5.746 18.230
201 HA LEU 28 HA LEU 28 23.713 8.216 19.484
202 HB2 LEU 28 HB2 LEU 28 21.037 6.917 20.128
203 HB3 LEU 28 HB3 LEU 28 21.771 8.247 20.990
204 HG LEU 28 HG LEU 28 20.100 9.240 19.813
205 HD11 LEU 28 HD11 LEU 28 21.051 10.777 18.277
206 HD12 LEU 28 HD12 LEU 28 22.392 9.689 17.895
207 HD13 LEU 28 HD13 LEU 28 22.279 10.415 19.506
208 HD21 LEU 28 HD21 LEU 28 20.834 7.758 17.276
209 HD22 LEU 28 HD22 LEU 28 19.523 8.936 17.487
210 HD23 LEU 28 HD23 LEU 28 19.475 7.392 18.353
211 HA PRO 29 HA PRO 29 25.467 5.259 22.328
212 HB2 PRO 29 HB2 PRO 29 26.128 6.851 24.472
213 HB3 PRO 29 HB3 PRO 29 26.987 6.854 22.907
214 HG2 PRO 29 HG2 PRO 29 24.842 8.779 23.845
215 HG3 PRO 29 HG3 PRO 29 26.399 9.148 23.045
216 HD2 PRO 29 HD2 PRO 29 24.055 9.028 21.660
217 HD3 PRO 29 HD3 PRO 29 25.592 8.469 20.946
218 H LEU 30 H LEU 30 23.497 7.450 24.371
219 HA LEU 30 HA LEU 30 21.544 5.500 25.146
220 HB2 LEU 30 HB2 LEU 30 23.235 4.358 26.347
221 HB3 LEU 30 HB3 LEU 30 23.952 5.830 26.958
222 HG LEU 30 HG LEU 30 21.993 6.168 28.455
223 HD11 LEU 30 HD11 LEU 30 21.059 3.468 27.379
224 HD12 LEU 30 HD12 LEU 30 20.224 5.022 27.157
225 HD13 LEU 30 HD13 LEU 30 20.370 4.330 28.775
226 HD21 LEU 30 HD21 LEU 30 22.493 4.322 29.979
227 HD22 LEU 30 HD22 LEU 30 23.978 4.911 29.214
228 HD23 LEU 30 HD23 LEU 30 23.236 3.397 28.654
229 HA PRO 31 HA PRO 31 20.763 9.364 27.809
230 HB2 PRO 31 HB2 PRO 31 22.470 11.537 27.777
231 HB3 PRO 31 HB3 PRO 31 22.574 10.179 28.936
232 HG2 PRO 31 HG2 PRO 31 24.145 10.557 26.371
233 HG3 PRO 31 HG3 PRO 31 24.758 10.104 27.993
234 HD2 PRO 31 HD2 PRO 31 24.303 8.225 26.121
235 HD3 PRO 31 HD3 PRO 31 23.872 7.928 27.827
236 H ILE 32 H ILE 32 22.400 10.001 24.722
237 HA ILE 32 HA ILE 32 20.536 12.094 23.897
238 HB ILE 32 HB ILE 32 22.506 10.569 22.160
239 HG12 ILE 32 HG12 ILE 32 23.016 13.104 23.792
240 HG13 ILE 32 HG13 ILE 32 23.702 11.518 24.137
241 HG21 ILE 32 HG21 ILE 32 20.825 11.956 20.940
242 HG22 ILE 32 HG22 ILE 32 21.302 13.368 21.904
243 HG23 ILE 32 HG23 ILE 32 22.436 12.617 20.762
244 HD11 ILE 32 HD11 ILE 32 25.398 12.782 23.086
245 HD12 ILE 32 HD12 ILE 32 24.869 11.547 21.928
246 HD13 ILE 32 HD13 ILE 32 24.354 13.244 21.739
247 H LEU 33 H LEU 33 20.706 8.574 23.540
248 HA LEU 33 HA LEU 33 18.891 8.217 21.380
249 HB2 LEU 33 HB2 LEU 33 20.318 6.408 22.339
250 HB3 LEU 33 HB3 LEU 33 19.362 6.456 23.817
251 HG LEU 33 HG LEU 33 17.341 5.732 22.551
252 HD11 LEU 33 HD11 LEU 33 17.903 6.525 20.281
253 HD12 LEU 33 HD12 LEU 33 17.600 4.788 20.286
254 HD13 LEU 33 HD13 LEU 33 19.269 5.386 20.215
255 HD21 LEU 33 HD21 LEU 33 18.721 4.106 23.710
256 HD22 LEU 33 HD22 LEU 33 19.774 3.941 22.291
257 HD23 LEU 33 HD23 LEU 33 18.070 3.416 22.217
258 H ASN 34 H ASN 34 18.263 8.862 24.816
259 HA ASN 34 HA ASN 34 15.523 8.251 24.915
260 HB2 ASN 34 HB2 ASN 34 17.110 8.851 26.806
261 HB3 ASN 34 HB3 ASN 34 16.937 10.544 26.346
262 HD21 ASN 34 HD21 ASN 34 15.292 7.726 27.726
263 HD22 ASN 34 HD22 ASN 34 13.933 8.637 28.364
264 H GLN 35 H GLN 35 17.061 11.235 23.669
265 HA GLN 35 HA GLN 35 14.563 12.644 23.226
266 HB2 GLN 35 HB2 GLN 35 16.762 13.759 23.563
267 HB3 GLN 35 HB3 GLN 35 17.308 13.132 21.999
268 HG2 GLN 35 HG2 GLN 35 15.502 14.387 20.853
269 HG3 GLN 35 HG3 GLN 35 14.874 14.937 22.409
270 HE21 GLN 35 HE21 GLN 35 16.073 16.607 23.574
271 HE22 GLN 35 HE22 GLN 35 17.320 17.528 22.743
272 H HIS 36 H HIS 36 16.720 10.667 21.070
273 HA HIS 36 HA HIS 36 15.048 11.062 18.746
274 HB2 HIS 36 HB2 HIS 36 17.395 10.154 18.647
275 HB3 HIS 36 HB3 HIS 36 16.787 8.624 19.289
276 HD1 HIS 36 HD1 HIS 36 16.450 10.895 16.193
277 HD2 HIS 36 HD2 HIS 36 15.367 7.064 17.535
278 HE1 HIS 36 HE1 HIS 36 15.459 9.718 14.190
279 H GLN 37 H GLN 37 15.075 8.534 21.294
280 HA GLN 37 HA GLN 37 13.123 6.852 20.221
281 HB2 GLN 37 HB2 GLN 37 14.606 6.317 22.117
282 HB3 GLN 37 HB3 GLN 37 13.744 7.461 23.141
283 HG2 GLN 37 HG2 GLN 37 13.091 5.127 23.582
284 HG3 GLN 37 HG3 GLN 37 11.720 6.106 23.066
285 HE21 GLN 37 HE21 GLN 37 14.304 4.147 21.366
286 HE22 GLN 37 HE22 GLN 37 13.139 3.318 20.345
287 H GLU 38 H GLU 38 12.513 9.616 22.529
288 HA GLU 38 HA GLU 38 9.668 9.226 22.397
289 HB2 GLU 38 HB2 GLU 38 9.401 11.286 23.524
290 HB3 GLU 38 HB3 GLU 38 10.745 10.396 24.244
291 HG2 GLU 38 HG2 GLU 38 12.338 11.860 23.008
292 HG3 GLU 38 HG3 GLU 38 10.979 12.768 22.342
293 H LYS 39 H LYS 39 11.791 11.310 20.375
294 HA LYS 39 HA LYS 39 9.601 12.547 18.958
295 HB2 LYS 39 HB2 LYS 39 11.752 13.627 18.967
296 HB3 LYS 39 HB3 LYS 39 12.558 12.188 18.346
297 HG2 LYS 39 HG2 LYS 39 12.399 13.871 16.607
298 HG3 LYS 39 HG3 LYS 39 11.483 12.439 16.171
299 HD2 LYS 39 HD2 LYS 39 9.412 13.795 17.143
300 HD3 LYS 39 HD3 LYS 39 10.464 15.193 16.943
301 HE2 LYS 39 HE2 LYS 39 9.692 13.168 14.785
302 HE3 LYS 39 HE3 LYS 39 8.926 14.742 15.011
303 HZ1 LYS 39 HZ1 LYS 39 11.065 15.794 14.506
304 HZ2 LYS 39 HZ2 LYS 39 10.609 14.834 13.271
305 HZ3 LYS 39 HZ3 LYS 39 11.783 14.341 14.288
306 H CYS 40 H CYS 40 11.678 9.788 18.084
307 HA CYS 40 HA CYS 40 10.554 9.243 15.545
308 HB2 CYS 40 HB2 CYS 40 12.769 8.590 16.701
309 HB3 CYS 40 HB3 CYS 40 11.884 7.257 17.439
310 H ARG 41 H ARG 41 9.840 7.840 18.780
311 HA ARG 41 HA ARG 41 7.638 6.164 18.021
312 HB2 ARG 41 HB2 ARG 41 8.888 5.959 20.124
313 HB3 ARG 41 HB3 ARG 41 8.291 7.542 20.655
314 HG2 ARG 41 HG2 ARG 41 6.019 6.708 20.811
315 HG3 ARG 41 HG3 ARG 41 6.472 5.179 20.045
316 HD2 ARG 41 HD2 ARG 41 6.225 4.954 22.509
317 HD3 ARG 41 HD3 ARG 41 7.828 4.529 21.925
318 HE ARG 41 HE ARG 41 8.754 6.207 23.171
319 HH11 ARG 41 HH11 ARG 41 5.337 6.978 22.996
320 HH12 ARG 41 HH12 ARG 41 5.487 8.287 24.133
321 HH21 ARG 41 HH21 ARG 41 8.848 7.832 24.678
322 HH22 ARG 41 HH22 ARG 41 7.423 8.759 25.044
323 H TRP 42 H TRP 42 7.616 9.581 19.231
324 HA TRP 42 HA TRP 42 4.787 9.880 19.147
325 HB2 TRP 42 HB2 TRP 42 6.338 11.448 20.267
326 HB3 TRP 42 HB3 TRP 42 6.908 12.013 18.698
327 HD1 TRP 42 HD1 TRP 42 4.111 12.340 21.191
328 HE1 TRP 42 HE1 TRP 42 2.444 14.161 20.488
329 HE3 TRP 42 HE3 TRP 42 5.869 13.283 16.459
330 HZ2 TRP 42 HZ2 TRP 42 1.889 15.756 18.156
331 HZ3 TRP 42 HZ3 TRP 42 4.721 14.939 15.009
332 HH2 TRP 42 HH2 TRP 42 2.736 16.181 15.842
333 H LEU 43 H LEU 43 7.221 10.582 16.580
334 HA LEU 43 HA LEU 43 5.338 11.498 14.658
335 HB2 LEU 43 HB2 LEU 43 7.864 11.782 14.648
336 HB3 LEU 43 HB3 LEU 43 7.995 10.097 14.151
337 HG LEU 43 HG LEU 43 6.587 10.695 12.098
338 HD11 LEU 43 HD11 LEU 43 5.553 12.795 12.903
339 HD12 LEU 43 HD12 LEU 43 6.528 13.101 11.464
340 HD13 LEU 43 HD13 LEU 43 7.159 13.537 13.065
341 HD21 LEU 43 HD21 LEU 43 9.225 12.173 12.477
342 HD22 LEU 43 HD22 LEU 43 8.464 11.766 10.920
343 HD23 LEU 43 HD23 LEU 43 9.030 10.474 11.988
344 H ALA 44 H ALA 44 6.682 8.188 15.157
345 HA ALA 44 HA ALA 44 5.235 6.918 13.067
346 HB1 ALA 44 HB1 ALA 44 7.199 5.951 14.202
347 HB2 ALA 44 HB2 ALA 44 6.272 5.803 15.713
348 HB3 ALA 44 HB3 ALA 44 5.813 4.847 14.287
349 H SER 45 H SER 45 4.279 7.529 16.470
350 HA SER 45 HA SER 45 1.754 6.117 16.314
351 HB2 SER 45 HB2 SER 45 2.994 6.622 18.420
352 HB3 SER 45 HB3 SER 45 2.651 8.344 18.189
353 HG SER 45 HG SER 45 0.793 6.218 18.632
354 H SER 46 H SER 46 2.669 9.556 15.927
355 HA SER 46 HA SER 46 0.034 10.588 15.445
356 HB2 SER 46 HB2 SER 46 1.998 11.895 16.220
357 HB3 SER 46 HB3 SER 46 2.756 11.687 14.631
358 HG SER 46 HG SER 46 1.589 13.695 14.928
359 H LYS 47 H LYS 47 2.386 9.064 13.339
360 HA LYS 47 HA LYS 47 2.488 8.514 11.149
361 HB2 LYS 47 HB2 LYS 47 -0.551 8.643 11.294
362 HB3 LYS 47 HB3 LYS 47 0.375 7.901 9.989
363 HG2 LYS 47 HG2 LYS 47 1.253 6.190 11.430
364 HG3 LYS 47 HG3 LYS 47 0.646 6.994 12.879
365 HD2 LYS 47 HD2 LYS 47 -0.734 5.086 12.356
366 HD3 LYS 47 HD3 LYS 47 -1.661 6.587 12.244
367 HE2 LYS 47 HE2 LYS 47 -1.450 6.544 9.772
368 HE3 LYS 47 HE3 LYS 47 -0.479 5.068 9.873
369 HZ1 LYS 47 HZ1 LYS 47 -3.302 5.309 10.779
370 HZ2 LYS 47 HZ2 LYS 47 -2.407 3.943 10.847
371 HZ3 LYS 47 HZ3 LYS 47 -2.820 4.579 9.403
372 H GLY 48 H GLY 48 2.650 11.329 11.853
373 HA2 GLY 48 HA2 GLY 48 1.185 13.038 10.146
374 HA3 GLY 48 HA3 GLY 48 2.694 13.447 10.964
375 H LYS 49 H LYS 49 4.519 11.792 9.705
376 HA LYS 49 HA LYS 49 4.219 11.778 6.809
377 HB2 LYS 49 HB2 LYS 49 4.991 14.140 7.349
378 HB3 LYS 49 HB3 LYS 49 6.492 13.476 7.975
379 HG2 LYS 49 HG2 LYS 49 5.572 12.749 5.175
380 HG3 LYS 49 HG3 LYS 49 6.214 14.360 5.474
381 HD2 LYS 49 HD2 LYS 49 8.371 13.543 6.101
382 HD3 LYS 49 HD3 LYS 49 7.804 11.885 6.233
383 HE2 LYS 49 HE2 LYS 49 9.037 12.051 4.194
384 HE3 LYS 49 HE3 LYS 49 7.335 11.816 3.797
385 HZ1 LYS 49 HZ1 LYS 49 7.186 14.220 3.353
386 HZ2 LYS 49 HZ2 LYS 49 8.344 13.549 2.425
387 HZ3 LYS 49 HZ3 LYS 49 8.764 14.427 3.732
388 H GLN 50 H GLN 50 5.385 10.147 5.937
389 HA GLN 50 HA GLN 50 7.535 8.814 7.538
390 HB2 GLN 50 HB2 GLN 50 5.331 7.426 5.958
391 HB3 GLN 50 HB3 GLN 50 6.644 6.638 6.814
392 HG2 GLN 50 HG2 GLN 50 4.314 8.177 8.041
393 HG3 GLN 50 HG3 GLN 50 4.563 6.437 8.049
394 HE21 GLN 50 HE21 GLN 50 7.209 6.117 8.921
395 HE22 GLN 50 HE22 GLN 50 7.347 6.835 10.520
396 H VAL 51 H VAL 51 9.302 8.166 6.374
397 HA VAL 51 HA VAL 51 9.565 9.054 3.599
398 HB VAL 51 HB VAL 51 11.870 8.305 3.737
399 HG11 VAL 51 HG11 VAL 51 11.215 10.525 4.625
400 HG12 VAL 51 HG12 VAL 51 11.057 9.822 6.251
401 HG13 VAL 51 HG13 VAL 51 12.634 9.853 5.441
402 HG21 VAL 51 HG21 VAL 51 11.733 6.305 5.117
403 HG22 VAL 51 HG22 VAL 51 12.826 7.463 5.864
404 HG23 VAL 51 HG23 VAL 51 11.196 7.253 6.525
405 H ARG 52 H ARG 52 8.607 6.097 5.040
406 HA ARG 52 HA ARG 52 9.021 4.419 2.621
407 HB2 ARG 52 HB2 ARG 52 7.731 3.955 5.337
408 HB3 ARG 52 HB3 ARG 52 7.453 2.866 3.985
409 HG2 ARG 52 HG2 ARG 52 9.193 2.000 5.432
410 HG3 ARG 52 HG3 ARG 52 9.805 2.314 3.807
411 HD2 ARG 52 HD2 ARG 52 10.918 4.345 4.561
412 HD3 ARG 52 HD3 ARG 52 10.177 4.211 6.158
413 HE ARG 52 HE ARG 52 11.683 2.528 6.756
414 HH11 ARG 52 HH11 ARG 52 12.195 3.211 3.355
415 HH12 ARG 52 HH12 ARG 52 13.765 2.459 3.352
416 HH21 ARG 52 HH21 ARG 52 13.724 1.647 6.695
417 HH22 ARG 52 HH22 ARG 52 14.585 1.578 5.187
418 H ASN 53 H ASN 53 8.008 5.511 1.025
419 HA ASN 53 HA ASN 53 5.022 5.639 1.101
420 HB2 ASN 53 HB2 ASN 53 6.297 7.866 1.382
421 HB3 ASN 53 HB3 ASN 53 6.807 7.681 -0.292
422 HD21 ASN 53 HD21 ASN 53 5.094 9.763 0.998
423 HD22 ASN 53 HD22 ASN 53 3.579 9.699 0.105
424 H PHE 54 H PHE 54 3.995 5.174 -0.902
425 HA PHE 54 HA PHE 54 5.602 3.707 -2.934
426 HB2 PHE 54 HB2 PHE 54 4.243 1.689 -2.582
427 HB3 PHE 54 HB3 PHE 54 5.193 2.104 -1.176
428 HD1 PHE 54 HD1 PHE 54 1.732 2.084 -2.578
429 HD2 PHE 54 HD2 PHE 54 4.160 2.604 0.952
430 HE1 PHE 54 HE1 PHE 54 -0.303 1.989 -1.161
431 HE2 PHE 54 HE2 PHE 54 2.121 2.500 2.366
432 HZ PHE 54 HZ PHE 54 -0.113 2.196 1.312
433 H SER 55 H SER 55 4.087 2.682 -4.592
434 HA SER 55 HA SER 55 1.856 4.476 -5.412
435 HB2 SER 55 HB2 SER 55 4.077 5.353 -6.249
436 HB3 SER 55 HB3 SER 55 4.256 3.849 -7.174
437 HG SER 55 HG SER 55 3.259 5.562 -8.403
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 15.244 16.963 7.709
2 H2 GLY 1 H2 GLY 1 14.061 17.861 8.406
3 H3 GLY 1 H3 GLY 1 15.513 17.699 9.146
4 HA2 GLY 1 HA2 GLY 1 14.753 19.729 7.463
5 HA3 GLY 1 HA3 GLY 1 16.375 19.433 8.110
6 H SER 2 H SER 2 15.054 20.191 5.347
7 HA SER 2 HA SER 2 15.925 18.158 3.492
8 HB2 SER 2 HB2 SER 2 15.103 21.039 2.993
9 HB3 SER 2 HB3 SER 2 15.235 19.756 1.776
10 HG SER 2 HG SER 2 13.572 18.628 2.839
11 H GLU 3 H GLU 3 18.140 18.155 4.574
12 HA GLU 3 HA GLU 3 20.071 19.937 3.119
13 HB2 GLU 3 HB2 GLU 3 20.152 18.797 5.936
14 HB3 GLU 3 HB3 GLU 3 21.547 19.536 5.163
15 HG2 GLU 3 HG2 GLU 3 18.908 20.940 5.726
16 HG3 GLU 3 HG3 GLU 3 20.381 21.084 6.673
17 H PHE 4 H PHE 4 19.053 17.567 1.994
18 HA PHE 4 HA PHE 4 19.641 15.671 0.912
19 HB2 PHE 4 HB2 PHE 4 22.411 16.911 1.004
20 HB3 PHE 4 HB3 PHE 4 21.855 15.699 -0.136
21 HD1 PHE 4 HD1 PHE 4 20.304 16.252 -1.962
22 HD2 PHE 4 HD2 PHE 4 21.690 19.271 0.789
23 HE1 PHE 4 HE1 PHE 4 19.499 18.029 -3.501
24 HE2 PHE 4 HE2 PHE 4 20.866 21.044 -0.743
25 HZ PHE 4 HZ PHE 4 19.773 20.426 -2.891
26 H THR 5 H THR 5 19.822 15.474 3.892
27 HA THR 5 HA THR 5 21.972 13.530 4.421
28 HB THR 5 HB THR 5 19.857 14.661 6.286
29 HG1 THR 5 HG1 THR 5 21.520 16.082 5.253
30 HG21 THR 5 HG21 THR 5 22.481 13.187 6.839
31 HG22 THR 5 HG22 THR 5 20.849 12.604 7.232
32 HG23 THR 5 HG23 THR 5 21.497 14.019 8.062
33 H SER 6 H SER 6 21.145 11.993 2.841
34 HA SER 6 HA SER 6 18.703 10.481 3.416
35 HB2 SER 6 HB2 SER 6 21.017 9.859 1.540
36 HB3 SER 6 HB3 SER 6 19.476 8.988 1.617
37 HG SER 6 HG SER 6 19.898 11.708 0.877
38 H SER 7 H SER 7 21.811 10.366 4.799
39 HA SER 7 HA SER 7 23.091 8.806 5.881
40 HB2 SER 7 HB2 SER 7 20.375 8.310 7.127
41 HB3 SER 7 HB3 SER 7 21.934 7.874 7.850
42 HG SER 7 HG SER 7 22.493 10.046 7.940
43 HA PRO 8 HA PRO 8 21.699 5.123 3.323
44 HB2 PRO 8 HB2 PRO 8 23.866 4.831 1.665
45 HB3 PRO 8 HB3 PRO 8 22.526 5.974 1.350
46 HG2 PRO 8 HG2 PRO 8 25.205 6.565 2.653
47 HG3 PRO 8 HG3 PRO 8 24.404 7.455 1.319
48 HD2 PRO 8 HD2 PRO 8 24.214 8.292 3.896
49 HD3 PRO 8 HD3 PRO 8 22.820 8.410 2.781
50 H ARG 9 H ARG 9 24.739 5.744 5.001
51 HA ARG 9 HA ARG 9 24.827 2.999 6.106
52 HB2 ARG 9 HB2 ARG 9 27.239 4.276 4.724
53 HB3 ARG 9 HB3 ARG 9 27.245 2.771 5.646
54 HG2 ARG 9 HG2 ARG 9 25.572 1.831 3.977
55 HG3 ARG 9 HG3 ARG 9 25.820 3.292 3.009
56 HD2 ARG 9 HD2 ARG 9 27.230 1.651 2.052
57 HD3 ARG 9 HD3 ARG 9 28.281 2.752 2.931
58 HE ARG 9 HE ARG 9 28.884 1.037 4.377
59 HH11 ARG 9 HH11 ARG 9 26.097 -0.110 2.577
60 HH12 ARG 9 HH12 ARG 9 26.281 -1.740 3.165
61 HH21 ARG 9 HH21 ARG 9 29.049 -1.060 5.084
62 HH22 ARG 9 HH22 ARG 9 27.906 -2.254 4.545
63 H GLY 10 H GLY 10 26.492 2.874 7.890
64 HA2 GLY 10 HA2 GLY 10 27.237 5.323 9.299
65 HA3 GLY 10 HA3 GLY 10 25.775 4.572 9.941
66 H ASP 11 H ASP 11 28.858 3.148 8.724
67 HA ASP 11 HA ASP 11 29.053 1.195 10.836
68 HB2 ASP 11 HB2 ASP 11 30.001 0.991 8.526
69 HB3 ASP 11 HB3 ASP 11 31.186 2.236 8.928
70 H LYS 12 H LYS 12 30.541 1.047 12.581
71 HA LYS 12 HA LYS 12 32.269 3.307 13.298
72 HB2 LYS 12 HB2 LYS 12 29.735 3.552 14.266
73 HB3 LYS 12 HB3 LYS 12 30.352 2.430 15.464
74 HG2 LYS 12 HG2 LYS 12 30.807 4.473 16.453
75 HG3 LYS 12 HG3 LYS 12 32.354 4.155 15.687
76 HD2 LYS 12 HD2 LYS 12 31.644 5.560 13.732
77 HD3 LYS 12 HD3 LYS 12 30.120 5.911 14.547
78 HE2 LYS 12 HE2 LYS 12 32.895 6.623 15.611
79 HE3 LYS 12 HE3 LYS 12 31.836 7.723 14.725
80 HZ1 LYS 12 HZ1 LYS 12 30.189 7.473 16.519
81 HZ2 LYS 12 HZ2 LYS 12 31.592 8.080 17.083
82 HZ3 LYS 12 HZ3 LYS 12 31.219 6.522 17.370
83 H ALA 13 H ALA 13 33.821 2.791 14.916
84 HA ALA 13 HA ALA 13 34.706 0.082 15.080
85 HB1 ALA 13 HB1 ALA 13 35.461 2.526 16.747
86 HB2 ALA 13 HB2 ALA 13 36.400 1.026 16.607
87 HB3 ALA 13 HB3 ALA 13 36.184 2.062 15.185
88 H ALA 14 H ALA 14 32.473 1.819 17.125
89 HA ALA 14 HA ALA 14 32.410 -0.401 19.121
90 HB1 ALA 14 HB1 ALA 14 32.239 1.290 20.885
91 HB2 ALA 14 HB2 ALA 14 33.721 1.534 19.949
92 HB3 ALA 14 HB3 ALA 14 32.318 2.596 19.682
93 H TYR 15 H TYR 15 30.694 -0.198 16.855
94 HA TYR 15 HA TYR 15 28.229 1.069 17.349
95 HB2 TYR 15 HB2 TYR 15 27.367 -0.189 15.567
96 HB3 TYR 15 HB3 TYR 15 29.040 0.142 15.172
97 HD1 TYR 15 HD2 TYR 15 30.730 -1.721 15.182
98 HD2 TYR 15 HD1 TYR 15 26.552 -2.440 16.001
99 HE1 TYR 15 HE2 TYR 15 31.083 -4.162 14.859
100 HE2 TYR 15 HE1 TYR 15 26.910 -4.880 15.675
101 HH TYR 15 HH TYR 15 28.417 -6.537 15.195
102 H ASP 16 H ASP 16 29.425 -1.751 18.969
103 HA ASP 16 HA ASP 16 26.925 -2.992 19.667
104 HB2 ASP 16 HB2 ASP 16 29.666 -3.039 20.990
105 HB3 ASP 16 HB3 ASP 16 28.309 -4.043 21.490
106 H ILE 17 H ILE 17 28.739 -0.314 21.220
107 HA ILE 17 HA ILE 17 26.842 -0.259 23.499
108 HB ILE 17 HB ILE 17 29.013 0.202 24.134
109 HG12 ILE 17 HG12 ILE 17 27.115 1.662 25.059
110 HG13 ILE 17 HG13 ILE 17 28.780 2.042 25.441
111 HG21 ILE 17 HG21 ILE 17 29.257 2.330 21.987
112 HG22 ILE 17 HG22 ILE 17 30.395 2.110 23.334
113 HG23 ILE 17 HG23 ILE 17 30.180 0.816 22.166
114 HD11 ILE 17 HD11 ILE 17 28.813 3.935 23.924
115 HD12 ILE 17 HD12 ILE 17 27.190 3.558 23.323
116 HD13 ILE 17 HD13 ILE 17 27.419 4.059 25.002
117 H LEU 18 H LEU 18 27.477 1.540 20.504
118 HA LEU 18 HA LEU 18 25.451 3.548 20.829
119 HB2 LEU 18 HB2 LEU 18 26.471 2.231 18.279
120 HB3 LEU 18 HB3 LEU 18 25.561 3.730 18.365
121 HG LEU 18 HG LEU 18 28.388 3.313 19.424
122 HD11 LEU 18 HD11 LEU 18 28.252 3.400 16.975
123 HD12 LEU 18 HD12 LEU 18 28.977 4.881 17.623
124 HD13 LEU 18 HD13 LEU 18 27.298 4.899 17.063
125 HD21 LEU 18 HD21 LEU 18 26.576 5.757 19.453
126 HD22 LEU 18 HD22 LEU 18 28.342 5.845 19.634
127 HD23 LEU 18 HD23 LEU 18 27.401 4.957 20.825
128 H ARG 19 H ARG 19 23.438 3.697 19.643
129 HA ARG 19 HA ARG 19 22.112 1.118 18.895
130 HB2 ARG 19 HB2 ARG 19 21.217 1.850 21.070
131 HB3 ARG 19 HB3 ARG 19 20.931 3.464 20.430
132 HG2 ARG 19 HG2 ARG 19 18.822 2.313 20.537
133 HG3 ARG 19 HG3 ARG 19 19.232 2.534 18.853
134 HD2 ARG 19 HD2 ARG 19 20.223 0.067 19.082
135 HD3 ARG 19 HD3 ARG 19 19.213 -0.004 20.517
136 HE ARG 19 HE ARG 19 18.377 0.108 17.682
137 HH11 ARG 19 HH11 ARG 19 17.123 0.619 20.920
138 HH12 ARG 19 HH12 ARG 19 15.479 0.384 20.394
139 HH21 ARG 19 HH21 ARG 19 16.318 -0.281 17.124
140 HH22 ARG 19 HH22 ARG 19 15.037 -0.145 18.296
141 H ARG 20 H ARG 20 20.802 1.179 17.136
142 HA ARG 20 HA ARG 20 20.788 3.620 15.404
143 HB2 ARG 20 HB2 ARG 20 20.993 0.802 14.287
144 HB3 ARG 20 HB3 ARG 20 21.264 2.338 13.485
145 HG2 ARG 20 HG2 ARG 20 23.456 1.943 13.756
146 HG3 ARG 20 HG3 ARG 20 23.232 2.400 15.436
147 HD2 ARG 20 HD2 ARG 20 24.308 0.365 15.680
148 HD3 ARG 20 HD3 ARG 20 22.627 -0.129 15.809
149 HE ARG 20 HE ARG 20 22.799 -1.273 13.780
150 HH11 ARG 20 HH11 ARG 20 25.654 0.738 14.066
151 HH12 ARG 20 HH12 ARG 20 26.456 -0.052 12.736
152 HH21 ARG 20 HH21 ARG 20 23.890 -2.235 12.088
153 HH22 ARG 20 HH22 ARG 20 25.488 -1.695 11.669
154 H CYS 21 H CYS 21 19.042 3.714 13.897
155 HA CYS 21 HA CYS 21 16.583 2.198 14.681
156 HB2 CYS 21 HB2 CYS 21 16.737 4.416 15.770
157 HB3 CYS 21 HB3 CYS 21 16.884 5.177 14.180
158 H SER 22 H SER 22 15.987 1.037 13.015
159 HA SER 22 HA SER 22 16.806 1.310 10.331
160 HB2 SER 22 HB2 SER 22 14.405 -0.205 11.422
161 HB3 SER 22 HB3 SER 22 15.212 -0.488 9.868
162 HG SER 22 HG SER 22 15.954 -1.943 11.469
163 H GLN 23 H GLN 23 14.524 3.271 11.816
164 HA GLN 23 HA GLN 23 13.092 3.864 9.259
165 HB2 GLN 23 HB2 GLN 23 11.869 3.058 11.407
166 HB3 GLN 23 HB3 GLN 23 12.191 4.677 12.036
167 HG2 GLN 23 HG2 GLN 23 10.954 5.630 10.060
168 HG3 GLN 23 HG3 GLN 23 10.652 3.989 9.487
169 HE21 GLN 23 HE21 GLN 23 9.528 6.514 11.592
170 HE22 GLN 23 HE22 GLN 23 8.254 5.570 12.350
171 H CYS 24 H CYS 24 15.612 5.024 11.166
172 HA CYS 24 HA CYS 24 15.171 7.883 10.375
173 HB2 CYS 24 HB2 CYS 24 16.509 6.866 12.884
174 HB3 CYS 24 HB3 CYS 24 16.052 8.527 12.502
175 H GLY 25 H GLY 25 17.631 5.348 10.988
176 HA2 GLY 25 HA2 GLY 25 19.649 5.008 9.929
177 HA3 GLY 25 HA3 GLY 25 19.474 6.531 9.063
178 H ILE 26 H ILE 26 19.136 7.574 12.122
179 HA ILE 26 HA ILE 26 21.903 8.455 12.430
180 HB ILE 26 HB ILE 26 19.954 9.897 12.819
181 HG12 ILE 26 HG12 ILE 26 21.569 9.613 15.381
182 HG13 ILE 26 HG13 ILE 26 22.163 10.362 13.893
183 HG21 ILE 26 HG21 ILE 26 19.408 8.227 15.309
184 HG22 ILE 26 HG22 ILE 26 18.535 9.690 14.783
185 HG23 ILE 26 HG23 ILE 26 18.436 8.216 13.829
186 HD11 ILE 26 HD11 ILE 26 19.865 11.323 15.643
187 HD12 ILE 26 HD12 ILE 26 21.436 12.093 15.391
188 HD13 ILE 26 HD13 ILE 26 20.269 12.022 14.053
189 H LEU 27 H LEU 27 23.108 8.250 14.465
190 HA LEU 27 HA LEU 27 22.627 5.748 16.013
191 HB2 LEU 27 HB2 LEU 27 25.298 6.800 14.966
192 HB3 LEU 27 HB3 LEU 27 25.105 5.580 16.213
193 HG LEU 27 HG LEU 27 23.660 4.320 14.401
194 HD11 LEU 27 HD11 LEU 27 25.521 5.969 12.641
195 HD12 LEU 27 HD12 LEU 27 23.746 6.025 12.618
196 HD13 LEU 27 HD13 LEU 27 24.578 4.552 12.129
197 HD21 LEU 27 HD21 LEU 27 25.726 3.146 13.683
198 HD22 LEU 27 HD22 LEU 27 25.747 3.482 15.421
199 HD23 LEU 27 HD23 LEU 27 26.705 4.486 14.308
200 H LEU 28 H LEU 28 22.700 5.972 18.162
201 HA LEU 28 HA LEU 28 23.772 8.487 19.392
202 HB2 LEU 28 HB2 LEU 28 21.209 7.008 20.136
203 HB3 LEU 28 HB3 LEU 28 21.921 8.312 21.047
204 HG LEU 28 HG LEU 28 20.130 9.267 20.001
205 HD11 LEU 28 HD11 LEU 28 22.236 10.602 19.768
206 HD12 LEU 28 HD12 LEU 28 20.959 11.003 18.604
207 HD13 LEU 28 HD13 LEU 28 22.350 10.038 18.092
208 HD21 LEU 28 HD21 LEU 28 19.505 9.157 17.692
209 HD22 LEU 28 HD22 LEU 28 19.642 7.512 18.338
210 HD23 LEU 28 HD23 LEU 28 20.911 8.168 17.288
211 HA PRO 29 HA PRO 29 25.885 5.636 22.063
212 HB2 PRO 29 HB2 PRO 29 26.419 7.164 24.290
213 HB3 PRO 29 HB3 PRO 29 27.242 7.343 22.716
214 HG2 PRO 29 HG2 PRO 29 24.923 8.973 23.788
215 HG3 PRO 29 HG3 PRO 29 26.415 9.549 22.987
216 HD2 PRO 29 HD2 PRO 29 24.072 9.253 21.626
217 HD3 PRO 29 HD3 PRO 29 25.644 8.892 20.863
218 H LEU 30 H LEU 30 23.772 7.462 24.309
219 HA LEU 30 HA LEU 30 22.079 5.243 24.995
220 HB2 LEU 30 HB2 LEU 30 23.944 4.255 26.064
221 HB3 LEU 30 HB3 LEU 30 24.494 5.767 26.748
222 HG LEU 30 HG LEU 30 22.570 5.761 28.325
223 HD11 LEU 30 HD11 LEU 30 21.940 3.031 27.110
224 HD12 LEU 30 HD12 LEU 30 20.906 4.474 27.019
225 HD13 LEU 30 HD13 LEU 30 21.207 3.710 28.581
226 HD21 LEU 30 HD21 LEU 30 24.155 3.162 28.303
227 HD22 LEU 30 HD22 LEU 30 23.364 3.906 29.711
228 HD23 LEU 30 HD23 LEU 30 24.729 4.721 28.932
229 HA PRO 31 HA PRO 31 20.864 8.846 27.822
230 HB2 PRO 31 HB2 PRO 31 22.317 11.178 28.001
231 HB3 PRO 31 HB3 PRO 31 22.580 9.744 29.038
232 HG2 PRO 31 HG2 PRO 31 24.100 10.530 26.535
233 HG3 PRO 31 HG3 PRO 31 24.759 10.006 28.114
234 HD2 PRO 31 HD2 PRO 31 24.510 8.271 26.059
235 HD3 PRO 31 HD3 PRO 31 24.164 7.768 27.737
236 H ILE 32 H ILE 32 22.549 10.055 24.898
237 HA ILE 32 HA ILE 32 20.560 12.023 24.218
238 HB ILE 32 HB ILE 32 22.543 10.695 22.340
239 HG12 ILE 32 HG12 ILE 32 22.964 13.163 24.095
240 HG13 ILE 32 HG13 ILE 32 23.708 11.591 24.373
241 HG21 ILE 32 HG21 ILE 32 21.206 13.445 22.263
242 HG22 ILE 32 HG22 ILE 32 22.375 12.830 21.076
243 HG23 ILE 32 HG23 ILE 32 20.804 12.077 21.207
244 HD11 ILE 32 HD11 ILE 32 25.354 12.957 23.371
245 HD12 ILE 32 HD12 ILE 32 24.867 11.754 22.162
246 HD13 ILE 32 HD13 ILE 32 24.290 13.438 22.046
247 H LEU 33 H LEU 33 20.722 8.560 23.683
248 HA LEU 33 HA LEU 33 18.838 8.265 21.576
249 HB2 LEU 33 HB2 LEU 33 20.342 6.471 22.551
250 HB3 LEU 33 HB3 LEU 33 19.287 6.452 23.964
251 HG LEU 33 HG LEU 33 17.367 5.788 22.460
252 HD11 LEU 33 HD11 LEU 33 19.591 5.316 20.428
253 HD12 LEU 33 HD12 LEU 33 18.308 6.526 20.277
254 HD13 LEU 33 HD13 LEU 33 17.892 4.811 20.271
255 HD21 LEU 33 HD21 LEU 33 19.750 3.916 22.531
256 HD22 LEU 33 HD22 LEU 33 18.031 3.468 22.344
257 HD23 LEU 33 HD23 LEU 33 18.596 4.189 23.852
258 H ASN 34 H ASN 34 18.285 9.146 24.979
259 HA ASN 34 HA ASN 34 15.518 8.490 25.145
260 HB2 ASN 34 HB2 ASN 34 17.098 10.791 26.373
261 HB3 ASN 34 HB3 ASN 34 15.444 10.386 26.814
262 HD21 ASN 34 HD21 ASN 34 17.921 10.357 28.475
263 HD22 ASN 34 HD22 ASN 34 17.944 8.731 29.145
264 H GLN 35 H GLN 35 17.064 11.425 23.738
265 HA GLN 35 HA GLN 35 14.612 12.756 23.039
266 HB2 GLN 35 HB2 GLN 35 16.811 13.875 23.110
267 HB3 GLN 35 HB3 GLN 35 17.367 12.900 21.741
268 HG2 GLN 35 HG2 GLN 35 15.638 13.918 20.289
269 HG3 GLN 35 HG3 GLN 35 15.008 14.837 21.660
270 HE21 GLN 35 HE21 GLN 35 17.975 14.381 19.635
271 HE22 GLN 35 HE22 GLN 35 18.535 16.030 19.873
272 H HIS 36 H HIS 36 16.630 10.345 21.287
273 HA HIS 36 HA HIS 36 15.087 10.326 18.879
274 HB2 HIS 36 HB2 HIS 36 17.360 9.223 19.256
275 HB3 HIS 36 HB3 HIS 36 16.496 7.902 20.049
276 HD1 HIS 36 HD1 HIS 36 17.458 9.143 16.699
277 HD2 HIS 36 HD2 HIS 36 14.502 6.659 18.346
278 HE1 HIS 36 HE1 HIS 36 16.442 7.901 14.766
279 H GLN 37 H GLN 37 14.810 8.242 21.838
280 HA GLN 37 HA GLN 37 12.665 6.686 20.862
281 HB2 GLN 37 HB2 GLN 37 13.324 7.448 23.737
282 HB3 GLN 37 HB3 GLN 37 12.138 6.231 23.271
283 HG2 GLN 37 HG2 GLN 37 15.134 6.125 22.801
284 HG3 GLN 37 HG3 GLN 37 14.183 5.112 23.875
285 HE21 GLN 37 HE21 GLN 37 12.320 3.823 22.620
286 HE22 GLN 37 HE22 GLN 37 12.845 3.140 21.087
287 H GLU 38 H GLU 38 12.419 9.800 22.699
288 HA GLU 38 HA GLU 38 9.531 9.761 22.653
289 HB2 GLU 38 HB2 GLU 38 11.349 12.194 22.814
290 HB3 GLU 38 HB3 GLU 38 9.638 12.122 23.220
291 HG2 GLU 38 HG2 GLU 38 11.974 10.934 24.723
292 HG3 GLU 38 HG3 GLU 38 10.805 12.111 25.275
293 H LYS 39 H LYS 39 11.885 11.278 20.372
294 HA LYS 39 HA LYS 39 9.826 12.517 18.780
295 HB2 LYS 39 HB2 LYS 39 12.427 12.965 18.988
296 HB3 LYS 39 HB3 LYS 39 12.560 11.813 17.673
297 HG2 LYS 39 HG2 LYS 39 11.131 14.503 17.716
298 HG3 LYS 39 HG3 LYS 39 12.599 14.074 16.863
299 HD2 LYS 39 HD2 LYS 39 11.226 13.977 15.070
300 HD3 LYS 39 HD3 LYS 39 10.985 12.331 15.619
301 HE2 LYS 39 HE2 LYS 39 8.814 13.161 15.174
302 HE3 LYS 39 HE3 LYS 39 8.942 13.204 16.930
303 HZ1 LYS 39 HZ1 LYS 39 9.456 15.605 16.737
304 HZ2 LYS 39 HZ2 LYS 39 8.007 15.273 16.069
305 HZ3 LYS 39 HZ3 LYS 39 9.301 15.535 15.113
306 H CYS 40 H CYS 40 11.714 9.526 18.262
307 HA CYS 40 HA CYS 40 10.589 8.747 15.786
308 HB2 CYS 40 HB2 CYS 40 12.708 8.069 17.094
309 HB3 CYS 40 HB3 CYS 40 11.693 6.909 17.947
310 H ARG 41 H ARG 41 9.613 7.950 19.160
311 HA ARG 41 HA ARG 41 7.322 6.347 18.547
312 HB2 ARG 41 HB2 ARG 41 8.357 6.477 20.787
313 HB3 ARG 41 HB3 ARG 41 7.884 8.173 20.927
314 HG2 ARG 41 HG2 ARG 41 6.418 6.790 22.245
315 HG3 ARG 41 HG3 ARG 41 5.490 7.505 20.924
316 HD2 ARG 41 HD2 ARG 41 5.609 5.385 19.665
317 HD3 ARG 41 HD3 ARG 41 6.660 4.691 20.920
318 HE ARG 41 HE ARG 41 4.165 5.630 22.039
319 HH11 ARG 41 HH11 ARG 41 5.472 2.917 20.249
320 HH12 ARG 41 HH12 ARG 41 4.254 1.819 20.842
321 HH21 ARG 41 HH21 ARG 41 2.635 4.181 22.750
322 HH22 ARG 41 HH22 ARG 41 2.689 2.526 22.217
323 H TRP 42 H TRP 42 7.505 9.908 19.168
324 HA TRP 42 HA TRP 42 4.736 10.411 18.718
325 HB2 TRP 42 HB2 TRP 42 6.331 12.001 19.754
326 HB3 TRP 42 HB3 TRP 42 7.100 12.249 18.193
327 HD1 TRP 42 HD1 TRP 42 4.141 13.270 20.269
328 HE1 TRP 42 HE1 TRP 42 2.762 15.087 19.092
329 HE3 TRP 42 HE3 TRP 42 6.378 13.141 15.652
330 HZ2 TRP 42 HZ2 TRP 42 2.613 16.296 16.478
331 HZ3 TRP 42 HZ3 TRP 42 5.578 14.627 13.831
332 HH2 TRP 42 HH2 TRP 42 3.702 16.205 14.230
333 H LEU 43 H LEU 43 7.460 10.389 16.399
334 HA LEU 43 HA LEU 43 5.965 11.219 14.124
335 HB2 LEU 43 HB2 LEU 43 8.527 11.057 14.626
336 HB3 LEU 43 HB3 LEU 43 8.420 9.430 13.979
337 HG LEU 43 HG LEU 43 7.500 11.938 12.488
338 HD11 LEU 43 HD11 LEU 43 10.202 10.537 12.369
339 HD12 LEU 43 HD12 LEU 43 9.883 12.145 13.051
340 HD13 LEU 43 HD13 LEU 43 9.670 11.872 11.320
341 HD21 LEU 43 HD21 LEU 43 8.250 9.153 11.487
342 HD22 LEU 43 HD22 LEU 43 7.866 10.550 10.459
343 HD23 LEU 43 HD23 LEU 43 6.617 9.863 11.498
344 H ALA 44 H ALA 44 6.819 7.875 15.218
345 HA ALA 44 HA ALA 44 5.300 6.521 13.211
346 HB1 ALA 44 HB1 ALA 44 5.548 4.579 14.712
347 HB2 ALA 44 HB2 ALA 44 7.075 5.474 14.577
348 HB3 ALA 44 HB3 ALA 44 6.068 5.649 16.032
349 H SER 45 H SER 45 4.304 7.781 16.414
350 HA SER 45 HA SER 45 1.653 6.667 16.404
351 HB2 SER 45 HB2 SER 45 2.883 7.569 18.396
352 HB3 SER 45 HB3 SER 45 2.653 9.205 17.756
353 HG SER 45 HG SER 45 0.730 7.360 18.733
354 H SER 46 H SER 46 2.913 9.836 15.287
355 HA SER 46 HA SER 46 0.411 10.902 14.352
356 HB2 SER 46 HB2 SER 46 2.427 12.236 14.922
357 HB3 SER 46 HB3 SER 46 3.265 11.556 13.513
358 HG SER 46 HG SER 46 2.280 13.622 13.116
359 H LYS 47 H LYS 47 2.988 9.057 12.742
360 HA LYS 47 HA LYS 47 1.338 8.720 10.257
361 HB2 LYS 47 HB2 LYS 47 4.350 8.803 10.678
362 HB3 LYS 47 HB3 LYS 47 3.585 8.193 9.212
363 HG2 LYS 47 HG2 LYS 47 2.529 10.335 8.769
364 HG3 LYS 47 HG3 LYS 47 3.230 11.032 10.249
365 HD2 LYS 47 HD2 LYS 47 5.474 10.786 9.413
366 HD3 LYS 47 HD3 LYS 47 4.944 9.743 8.079
367 HE2 LYS 47 HE2 LYS 47 3.682 11.632 7.092
368 HE3 LYS 47 HE3 LYS 47 4.246 12.692 8.393
369 HZ1 LYS 47 HZ1 LYS 47 6.526 12.313 7.628
370 HZ2 LYS 47 HZ2 LYS 47 5.632 12.871 6.384
371 HZ3 LYS 47 HZ3 LYS 47 6.022 11.290 6.458
372 H GLY 48 H GLY 48 0.236 7.082 11.601
373 HA2 GLY 48 HA2 GLY 48 1.280 4.519 12.229
374 HA3 GLY 48 HA3 GLY 48 -0.363 4.845 11.669
375 H LYS 49 H LYS 49 2.525 3.313 10.916
376 HA LYS 49 HA LYS 49 2.649 3.416 8.059
377 HB2 LYS 49 HB2 LYS 49 3.621 1.481 10.190
378 HB3 LYS 49 HB3 LYS 49 3.787 1.042 8.501
379 HG2 LYS 49 HG2 LYS 49 4.903 3.632 9.649
380 HG3 LYS 49 HG3 LYS 49 5.808 2.117 9.522
381 HD2 LYS 49 HD2 LYS 49 5.365 2.094 7.045
382 HD3 LYS 49 HD3 LYS 49 4.659 3.706 7.175
383 HE2 LYS 49 HE2 LYS 49 7.504 2.960 7.989
384 HE3 LYS 49 HE3 LYS 49 7.055 3.640 6.423
385 HZ1 LYS 49 HZ1 LYS 49 6.227 5.618 7.581
386 HZ2 LYS 49 HZ2 LYS 49 7.805 5.380 7.912
387 HZ3 LYS 49 HZ3 LYS 49 6.675 5.008 9.033
388 H GLN 50 H GLN 50 2.322 1.578 6.598
389 HA GLN 50 HA GLN 50 -0.436 0.885 6.468
390 HB2 GLN 50 HB2 GLN 50 1.485 1.086 4.616
391 HB3 GLN 50 HB3 GLN 50 1.667 -0.637 4.915
392 HG2 GLN 50 HG2 GLN 50 0.155 -0.380 3.078
393 HG3 GLN 50 HG3 GLN 50 -0.831 -0.886 4.452
394 HE21 GLN 50 HE21 GLN 50 0.219 2.062 2.611
395 HE22 GLN 50 HE22 GLN 50 -1.230 2.976 3.003
396 H VAL 51 H VAL 51 -1.472 -0.537 7.673
397 HA VAL 51 HA VAL 51 -0.201 -3.130 8.484
398 HB VAL 51 HB VAL 51 -1.573 -3.057 10.541
399 HG11 VAL 51 HG11 VAL 51 0.309 -0.693 10.290
400 HG12 VAL 51 HG12 VAL 51 -0.180 -1.518 11.779
401 HG13 VAL 51 HG13 VAL 51 0.789 -2.376 10.570
402 HG21 VAL 51 HG21 VAL 51 -2.577 -0.987 11.330
403 HG22 VAL 51 HG22 VAL 51 -2.131 -0.142 9.838
404 HG23 VAL 51 HG23 VAL 51 -3.334 -1.453 9.802
405 H ARG 52 H ARG 52 -2.038 -2.227 6.205
406 HA ARG 52 HA ARG 52 -4.495 -3.717 6.375
407 HB2 ARG 52 HB2 ARG 52 -2.732 -2.898 4.017
408 HB3 ARG 52 HB3 ARG 52 -4.267 -3.758 3.839
409 HG2 ARG 52 HG2 ARG 52 -5.408 -1.926 5.116
410 HG3 ARG 52 HG3 ARG 52 -3.910 -0.991 5.073
411 HD2 ARG 52 HD2 ARG 52 -5.260 -2.047 2.541
412 HD3 ARG 52 HD3 ARG 52 -5.741 -0.542 3.302
413 HE ARG 52 HE ARG 52 -3.722 0.492 2.763
414 HH11 ARG 52 HH11 ARG 52 -3.546 -2.810 1.574
415 HH12 ARG 52 HH12 ARG 52 -2.285 -2.413 0.439
416 HH21 ARG 52 HH21 ARG 52 -2.233 0.935 1.194
417 HH22 ARG 52 HH22 ARG 52 -1.580 -0.351 0.224
418 H ASN 53 H ASN 53 -5.032 -5.654 5.401
419 HA ASN 53 HA ASN 53 -2.935 -7.703 4.984
420 HB2 ASN 53 HB2 ASN 53 -4.184 -9.284 6.452
421 HB3 ASN 53 HB3 ASN 53 -3.460 -7.947 7.330
422 HD21 ASN 53 HD21 ASN 53 -4.839 -6.383 8.351
423 HD22 ASN 53 HD22 ASN 53 -6.562 -6.690 8.517
424 H PHE 54 H PHE 54 -3.554 -9.370 3.626
425 HA PHE 54 HA PHE 54 -6.141 -9.112 2.166
426 HB2 PHE 54 HB2 PHE 54 -4.382 -7.740 1.055
427 HB3 PHE 54 HB3 PHE 54 -3.365 -9.165 0.912
428 HD1 PHE 54 HD1 PHE 54 -6.537 -7.562 -0.211
429 HD2 PHE 54 HD2 PHE 54 -3.766 -10.809 -0.845
430 HE1 PHE 54 HE1 PHE 54 -7.661 -8.105 -2.360
431 HE2 PHE 54 HE2 PHE 54 -4.894 -11.348 -2.993
432 HZ PHE 54 HZ PHE 54 -6.845 -10.002 -3.750
433 H SER 55 H SER 55 -7.019 -11.004 1.647
434 HA SER 55 HA SER 55 -5.573 -13.544 2.311
435 HB2 SER 55 HB2 SER 55 -7.230 -12.712 4.010
436 HB3 SER 55 HB3 SER 55 -8.502 -12.888 2.786
437 HG SER 55 HG SER 55 -8.292 -14.790 4.092
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 12.318 9.582 2.724
2 H2 GLY 1 H2 GLY 1 11.471 10.474 3.805
3 H3 GLY 1 H3 GLY 1 10.947 10.348 2.255
4 HA2 GLY 1 HA2 GLY 1 11.069 8.150 4.215
5 HA3 GLY 1 HA3 GLY 1 9.594 8.967 3.670
6 H SER 2 H SER 2 11.222 6.189 3.324
7 HA SER 2 HA SER 2 10.189 5.573 0.614
8 HB2 SER 2 HB2 SER 2 13.101 5.116 1.401
9 HB3 SER 2 HB3 SER 2 12.341 4.665 -0.131
10 HG SER 2 HG SER 2 11.986 6.940 -0.496
11 H GLU 3 H GLU 3 10.409 3.193 0.153
12 HA GLU 3 HA GLU 3 9.810 1.461 2.396
13 HB2 GLU 3 HB2 GLU 3 10.676 0.883 -0.468
14 HB3 GLU 3 HB3 GLU 3 10.261 -0.365 0.714
15 HG2 GLU 3 HG2 GLU 3 8.001 0.631 0.988
16 HG3 GLU 3 HG3 GLU 3 8.385 1.838 -0.241
17 H PHE 4 H PHE 4 11.081 -0.159 3.342
18 HA PHE 4 HA PHE 4 13.849 0.448 3.867
19 HB2 PHE 4 HB2 PHE 4 13.772 -1.702 5.126
20 HB3 PHE 4 HB3 PHE 4 12.525 -0.556 5.569
21 HD1 PHE 4 HD1 PHE 4 13.160 -3.728 3.691
22 HD2 PHE 4 HD2 PHE 4 10.187 -1.089 5.372
23 HE1 PHE 4 HE1 PHE 4 11.408 -5.443 3.297
24 HE2 PHE 4 HE2 PHE 4 8.440 -2.807 4.973
25 HZ PHE 4 HZ PHE 4 9.046 -4.984 3.933
26 H THR 5 H THR 5 15.649 -1.025 3.569
27 HA THR 5 HA THR 5 15.628 -2.712 1.111
28 HB THR 5 HB THR 5 17.706 -1.652 0.338
29 HG1 THR 5 HG1 THR 5 18.289 0.359 1.262
30 HG21 THR 5 HG21 THR 5 15.531 -0.815 -0.552
31 HG22 THR 5 HG22 THR 5 16.820 0.399 -0.568
32 HG23 THR 5 HG23 THR 5 15.553 0.472 0.674
33 H SER 6 H SER 6 17.808 -3.842 0.847
34 HA SER 6 HA SER 6 18.331 -5.443 3.151
35 HB2 SER 6 HB2 SER 6 20.110 -6.429 1.685
36 HB3 SER 6 HB3 SER 6 18.497 -6.370 0.954
37 HG SER 6 HG SER 6 20.108 -5.638 -0.502
38 H SER 7 H SER 7 19.795 -2.464 2.165
39 HA SER 7 HA SER 7 21.728 -1.365 2.682
40 HB2 SER 7 HB2 SER 7 20.023 -1.000 4.491
41 HB3 SER 7 HB3 SER 7 20.953 -2.113 5.508
42 HG SER 7 HG SER 7 21.561 0.100 5.800
43 HA PRO 8 HA PRO 8 24.342 -5.211 3.319
44 HB2 PRO 8 HB2 PRO 8 25.813 -5.154 1.002
45 HB3 PRO 8 HB3 PRO 8 24.177 -5.867 1.124
46 HG2 PRO 8 HG2 PRO 8 24.929 -3.096 0.144
47 HG3 PRO 8 HG3 PRO 8 23.829 -4.285 -0.625
48 HD2 PRO 8 HD2 PRO 8 22.892 -2.247 0.918
49 HD3 PRO 8 HD3 PRO 8 22.126 -3.862 0.942
50 H ARG 9 H ARG 9 26.067 -5.062 4.576
51 HA ARG 9 HA ARG 9 28.344 -3.285 4.106
52 HB2 ARG 9 HB2 ARG 9 26.539 -1.875 5.228
53 HB3 ARG 9 HB3 ARG 9 26.668 -2.913 6.643
54 HG2 ARG 9 HG2 ARG 9 28.908 -2.176 7.091
55 HG3 ARG 9 HG3 ARG 9 29.082 -1.453 5.483
56 HD2 ARG 9 HD2 ARG 9 27.133 -0.487 7.618
57 HD3 ARG 9 HD3 ARG 9 28.732 0.201 7.363
58 HE ARG 9 HE ARG 9 26.337 0.607 5.729
59 HH11 ARG 9 HH11 ARG 9 29.834 0.905 5.653
60 HH12 ARG 9 HH12 ARG 9 29.796 1.997 4.296
61 HH21 ARG 9 HH21 ARG 9 26.371 1.993 4.003
62 HH22 ARG 9 HH22 ARG 9 27.886 2.598 3.398
63 H GLY 10 H GLY 10 30.099 -3.684 5.664
64 HA2 GLY 10 HA2 GLY 10 30.498 -6.436 6.379
65 HA3 GLY 10 HA3 GLY 10 31.510 -5.077 6.859
66 H ASP 11 H ASP 11 30.988 -7.268 8.527
67 HA ASP 11 HA ASP 11 28.858 -6.763 10.410
68 HB2 ASP 11 HB2 ASP 11 29.813 -8.995 9.947
69 HB3 ASP 11 HB3 ASP 11 31.357 -8.487 10.637
70 H LYS 12 H LYS 12 28.814 -5.608 12.239
71 HA LYS 12 HA LYS 12 31.303 -4.551 13.497
72 HB2 LYS 12 HB2 LYS 12 30.566 -2.845 11.881
73 HB3 LYS 12 HB3 LYS 12 28.951 -2.843 12.580
74 HG2 LYS 12 HG2 LYS 12 30.184 -0.890 13.307
75 HG3 LYS 12 HG3 LYS 12 29.832 -1.921 14.688
76 HD2 LYS 12 HD2 LYS 12 32.199 -2.795 14.604
77 HD3 LYS 12 HD3 LYS 12 32.494 -1.757 13.207
78 HE2 LYS 12 HE2 LYS 12 33.408 -0.637 15.090
79 HE3 LYS 12 HE3 LYS 12 31.949 0.246 14.633
80 HZ1 LYS 12 HZ1 LYS 12 32.123 -0.128 17.049
81 HZ2 LYS 12 HZ2 LYS 12 32.110 -1.747 16.843
82 HZ3 LYS 12 HZ3 LYS 12 30.787 -0.859 16.466
83 H ALA 13 H ALA 13 27.829 -5.146 13.843
84 HA ALA 13 HA ALA 13 26.466 -5.324 15.648
85 HB1 ALA 13 HB1 ALA 13 27.645 -7.466 15.473
86 HB2 ALA 13 HB2 ALA 13 28.866 -6.903 16.637
87 HB3 ALA 13 HB3 ALA 13 27.178 -7.117 17.146
88 H ALA 14 H ALA 14 27.306 -2.804 15.830
89 HA ALA 14 HA ALA 14 28.646 -2.018 18.209
90 HB1 ALA 14 HB1 ALA 14 27.935 0.232 17.554
91 HB2 ALA 14 HB2 ALA 14 28.421 -0.672 16.111
92 HB3 ALA 14 HB3 ALA 14 26.698 -0.438 16.471
93 H TYR 15 H TYR 15 25.716 -3.519 18.330
94 HA TYR 15 HA TYR 15 23.967 -1.790 19.658
95 HB2 TYR 15 HB2 TYR 15 22.615 -3.675 20.067
96 HB3 TYR 15 HB3 TYR 15 23.368 -3.889 18.506
97 HD1 TYR 15 HD2 TYR 15 23.123 -5.129 21.965
98 HD2 TYR 15 HD1 TYR 15 25.037 -5.705 18.139
99 HE1 TYR 15 HE2 TYR 15 23.865 -7.402 22.671
100 HE2 TYR 15 HE1 TYR 15 25.785 -7.966 18.857
101 HH TYR 15 HH TYR 15 25.792 -9.531 20.523
102 H ASP 16 H ASP 16 26.767 -3.148 21.076
103 HA ASP 16 HA ASP 16 25.763 -2.962 23.853
104 HB2 ASP 16 HB2 ASP 16 27.177 -4.863 22.998
105 HB3 ASP 16 HB3 ASP 16 28.511 -3.724 22.811
106 H ILE 17 H ILE 17 27.044 -0.758 21.655
107 HA ILE 17 HA ILE 17 27.955 1.083 23.831
108 HB ILE 17 HB ILE 17 29.958 0.231 22.856
109 HG12 ILE 17 HG12 ILE 17 29.448 3.050 21.809
110 HG13 ILE 17 HG13 ILE 17 29.851 2.621 23.474
111 HG21 ILE 17 HG21 ILE 17 28.937 1.072 20.107
112 HG22 ILE 17 HG22 ILE 17 30.551 0.438 20.472
113 HG23 ILE 17 HG23 ILE 17 29.153 -0.592 20.688
114 HD11 ILE 17 HD11 ILE 17 32.039 1.678 22.613
115 HD12 ILE 17 HD12 ILE 17 31.624 2.360 21.018
116 HD13 ILE 17 HD13 ILE 17 31.831 3.430 22.409
117 H LEU 18 H LEU 18 26.405 0.734 20.683
118 HA LEU 18 HA LEU 18 25.186 3.445 20.964
119 HB2 LEU 18 HB2 LEU 18 26.207 2.142 18.406
120 HB3 LEU 18 HB3 LEU 18 25.357 3.676 18.496
121 HG LEU 18 HG LEU 18 28.133 3.159 19.649
122 HD11 LEU 18 HD11 LEU 18 28.946 4.488 17.784
123 HD12 LEU 18 HD12 LEU 18 27.295 4.694 17.163
124 HD13 LEU 18 HD13 LEU 18 28.056 3.086 17.176
125 HD21 LEU 18 HD21 LEU 18 28.239 5.674 19.719
126 HD22 LEU 18 HD22 LEU 18 27.138 4.955 20.881
127 HD23 LEU 18 HD23 LEU 18 26.489 5.711 19.402
128 H ARG 19 H ARG 19 23.199 3.597 19.594
129 HA ARG 19 HA ARG 19 21.934 0.989 18.834
130 HB2 ARG 19 HB2 ARG 19 20.955 1.830 20.995
131 HB3 ARG 19 HB3 ARG 19 20.562 3.342 20.186
132 HG2 ARG 19 HG2 ARG 19 18.536 2.114 20.267
133 HG3 ARG 19 HG3 ARG 19 19.060 2.029 18.605
134 HD2 ARG 19 HD2 ARG 19 18.373 -0.166 19.073
135 HD3 ARG 19 HD3 ARG 19 20.117 -0.271 19.237
136 HE ARG 19 HE ARG 19 19.903 -0.595 21.547
137 HH11 ARG 19 HH11 ARG 19 16.728 0.202 20.283
138 HH12 ARG 19 HH12 ARG 19 15.930 -0.232 21.768
139 HH21 ARG 19 HH21 ARG 19 18.813 -1.111 23.416
140 HH22 ARG 19 HH22 ARG 19 17.085 -0.939 23.492
141 H ARG 20 H ARG 20 20.731 1.052 16.962
142 HA ARG 20 HA ARG 20 20.964 3.510 15.257
143 HB2 ARG 20 HB2 ARG 20 21.018 0.652 14.223
144 HB3 ARG 20 HB3 ARG 20 21.364 2.138 13.356
145 HG2 ARG 20 HG2 ARG 20 23.547 1.749 13.733
146 HG3 ARG 20 HG3 ARG 20 23.268 2.187 15.412
147 HD2 ARG 20 HD2 ARG 20 24.357 0.114 15.518
148 HD3 ARG 20 HD3 ARG 20 22.653 -0.274 15.819
149 HE ARG 20 HE ARG 20 23.289 -0.456 13.002
150 HH11 ARG 20 HH11 ARG 20 23.658 -2.312 15.945
151 HH12 ARG 20 HH12 ARG 20 23.837 -3.815 15.075
152 HH21 ARG 20 HH21 ARG 20 23.573 -2.386 11.962
153 HH22 ARG 20 HH22 ARG 20 23.829 -3.842 12.876
154 H CYS 21 H CYS 21 19.169 4.206 14.278
155 HA CYS 21 HA CYS 21 16.605 2.908 14.975
156 HB2 CYS 21 HB2 CYS 21 17.100 5.284 15.492
157 HB3 CYS 21 HB3 CYS 21 17.254 5.608 13.760
158 H SER 22 H SER 22 15.699 1.530 13.588
159 HA SER 22 HA SER 22 16.596 1.003 10.947
160 HB2 SER 22 HB2 SER 22 14.673 -0.550 10.848
161 HB3 SER 22 HB3 SER 22 15.610 -0.710 12.341
162 HG SER 22 HG SER 22 13.323 -0.666 12.704
163 H GLN 23 H GLN 23 14.597 3.546 11.863
164 HA GLN 23 HA GLN 23 13.585 3.895 9.077
165 HB2 GLN 23 HB2 GLN 23 11.509 4.803 9.955
166 HB3 GLN 23 HB3 GLN 23 11.761 3.138 10.469
167 HG2 GLN 23 HG2 GLN 23 12.552 3.963 12.697
168 HG3 GLN 23 HG3 GLN 23 12.197 5.619 12.191
169 HE21 GLN 23 HE21 GLN 23 11.020 3.788 14.372
170 HE22 GLN 23 HE22 GLN 23 9.291 3.874 14.065
171 H CYS 24 H CYS 24 15.740 5.159 11.193
172 HA CYS 24 HA CYS 24 15.491 7.905 10.024
173 HB2 CYS 24 HB2 CYS 24 16.503 7.284 12.809
174 HB3 CYS 24 HB3 CYS 24 16.246 8.867 12.089
175 H GLY 25 H GLY 25 17.679 5.264 10.956
176 HA2 GLY 25 HA2 GLY 25 19.769 4.750 10.196
177 HA3 GLY 25 HA3 GLY 25 19.742 6.171 9.153
178 H ILE 26 H ILE 26 19.208 7.476 12.115
179 HA ILE 26 HA ILE 26 21.915 8.376 12.568
180 HB ILE 26 HB ILE 26 19.936 9.759 13.004
181 HG12 ILE 26 HG12 ILE 26 20.457 10.712 15.177
182 HG13 ILE 26 HG13 ILE 26 21.412 9.311 15.624
183 HG21 ILE 26 HG21 ILE 26 19.299 7.836 15.284
184 HG22 ILE 26 HG22 ILE 26 18.504 9.390 14.981
185 HG23 ILE 26 HG23 ILE 26 18.346 8.081 13.813
186 HD11 ILE 26 HD11 ILE 26 23.063 9.863 13.846
187 HD12 ILE 26 HD12 ILE 26 22.042 11.227 13.334
188 HD13 ILE 26 HD13 ILE 26 22.805 11.232 14.937
189 H LEU 27 H LEU 27 23.163 8.077 14.510
190 HA LEU 27 HA LEU 27 22.677 5.571 16.046
191 HB2 LEU 27 HB2 LEU 27 25.359 6.647 15.064
192 HB3 LEU 27 HB3 LEU 27 25.140 5.409 16.288
193 HG LEU 27 HG LEU 27 23.757 4.155 14.430
194 HD11 LEU 27 HD11 LEU 27 24.705 4.458 12.171
195 HD12 LEU 27 HD12 LEU 27 25.609 5.883 12.733
196 HD13 LEU 27 HD13 LEU 27 23.835 5.899 12.687
197 HD21 LEU 27 HD21 LEU 27 25.846 3.337 15.454
198 HD22 LEU 27 HD22 LEU 27 26.798 4.380 14.374
199 HD23 LEU 27 HD23 LEU 27 25.851 3.030 13.713
200 H LEU 28 H LEU 28 22.500 5.901 18.159
201 HA LEU 28 HA LEU 28 23.629 8.388 19.398
202 HB2 LEU 28 HB2 LEU 28 21.045 6.964 20.157
203 HB3 LEU 28 HB3 LEU 28 21.758 8.323 20.987
204 HG LEU 28 HG LEU 28 19.992 9.246 19.884
205 HD11 LEU 28 HD11 LEU 28 20.821 10.809 18.281
206 HD12 LEU 28 HD12 LEU 28 22.207 9.781 17.890
207 HD13 LEU 28 HD13 LEU 28 22.086 10.531 19.492
208 HD21 LEU 28 HD21 LEU 28 20.690 7.804 17.313
209 HD22 LEU 28 HD22 LEU 28 19.341 8.922 17.575
210 HD23 LEU 28 HD23 LEU 28 19.388 7.378 18.439
211 HA PRO 29 HA PRO 29 25.567 5.456 22.154
212 HB2 PRO 29 HB2 PRO 29 26.257 7.040 24.289
213 HB3 PRO 29 HB3 PRO 29 27.057 7.101 22.695
214 HG2 PRO 29 HG2 PRO 29 24.882 8.938 23.739
215 HG3 PRO 29 HG3 PRO 29 26.394 9.370 22.889
216 HD2 PRO 29 HD2 PRO 29 23.990 9.175 21.601
217 HD3 PRO 29 HD3 PRO 29 25.525 8.723 20.812
218 H LEU 30 H LEU 30 23.835 7.531 24.472
219 HA LEU 30 HA LEU 30 21.864 5.518 25.210
220 HB2 LEU 30 HB2 LEU 30 24.490 5.577 26.533
221 HB3 LEU 30 HB3 LEU 30 23.206 5.863 27.690
222 HG LEU 30 HG LEU 30 23.067 3.511 25.769
223 HD11 LEU 30 HD11 LEU 30 24.001 2.130 27.574
224 HD12 LEU 30 HD12 LEU 30 24.321 3.592 28.540
225 HD13 LEU 30 HD13 LEU 30 25.173 3.325 27.001
226 HD21 LEU 30 HD21 LEU 30 20.978 4.164 26.955
227 HD22 LEU 30 HD22 LEU 30 21.832 4.016 28.507
228 HD23 LEU 30 HD23 LEU 30 21.587 2.587 27.480
229 HA PRO 31 HA PRO 31 21.051 9.377 27.881
230 HB2 PRO 31 HB2 PRO 31 22.772 11.495 28.068
231 HB3 PRO 31 HB3 PRO 31 22.944 10.006 29.044
232 HG2 PRO 31 HG2 PRO 31 24.342 10.678 26.430
233 HG3 PRO 31 HG3 PRO 31 25.086 10.140 27.972
234 HD2 PRO 31 HD2 PRO 31 24.553 8.378 26.010
235 HD3 PRO 31 HD3 PRO 31 24.261 7.947 27.714
236 H ILE 32 H ILE 32 21.974 9.495 24.666
237 HA ILE 32 HA ILE 32 20.267 11.887 24.064
238 HB ILE 32 HB ILE 32 22.358 10.617 22.266
239 HG12 ILE 32 HG12 ILE 32 22.639 13.150 23.951
240 HG13 ILE 32 HG13 ILE 32 23.441 11.619 24.290
241 HG21 ILE 32 HG21 ILE 32 20.572 11.869 21.066
242 HG22 ILE 32 HG22 ILE 32 20.886 13.290 22.083
243 HG23 ILE 32 HG23 ILE 32 22.105 12.697 20.936
244 HD11 ILE 32 HD11 ILE 32 25.047 13.016 23.263
245 HD12 ILE 32 HD12 ILE 32 24.623 11.754 22.092
246 HD13 ILE 32 HD13 ILE 32 23.981 13.408 21.909
247 H LEU 33 H LEU 33 20.638 8.418 23.654
248 HA LEU 33 HA LEU 33 18.935 7.947 21.442
249 HB2 LEU 33 HB2 LEU 33 20.401 6.235 22.446
250 HB3 LEU 33 HB3 LEU 33 19.463 6.285 23.938
251 HG LEU 33 HG LEU 33 17.467 5.413 22.739
252 HD11 LEU 33 HD11 LEU 33 19.345 5.255 20.344
253 HD12 LEU 33 HD12 LEU 33 17.853 6.207 20.463
254 HD13 LEU 33 HD13 LEU 33 17.764 4.449 20.456
255 HD21 LEU 33 HD21 LEU 33 18.329 3.133 22.410
256 HD22 LEU 33 HD22 LEU 33 18.971 3.884 23.875
257 HD23 LEU 33 HD23 LEU 33 19.997 3.765 22.434
258 H ASN 34 H ASN 34 18.116 8.371 24.912
259 HA ASN 34 HA ASN 34 15.349 7.836 24.724
260 HB2 ASN 34 HB2 ASN 34 15.175 9.334 26.757
261 HB3 ASN 34 HB3 ASN 34 16.322 8.008 26.866
262 HD21 ASN 34 HD21 ASN 34 16.058 11.561 26.664
263 HD22 ASN 34 HD22 ASN 34 17.755 11.817 27.059
264 H GLN 35 H GLN 35 17.015 10.964 24.009
265 HA GLN 35 HA GLN 35 14.557 12.392 23.557
266 HB2 GLN 35 HB2 GLN 35 16.749 13.459 24.067
267 HB3 GLN 35 HB3 GLN 35 17.328 13.010 22.453
268 HG2 GLN 35 HG2 GLN 35 15.536 14.374 21.416
269 HG3 GLN 35 HG3 GLN 35 14.869 14.742 23.009
270 HE21 GLN 35 HE21 GLN 35 16.041 16.264 24.396
271 HE22 GLN 35 HE22 GLN 35 17.279 17.296 23.694
272 H HIS 36 H HIS 36 16.736 10.583 21.306
273 HA HIS 36 HA HIS 36 15.137 11.132 18.965
274 HB2 HIS 36 HB2 HIS 36 17.437 10.147 18.859
275 HB3 HIS 36 HB3 HIS 36 16.793 8.627 19.488
276 HD1 HIS 36 HD1 HIS 36 16.442 10.934 16.410
277 HD2 HIS 36 HD2 HIS 36 15.444 7.066 17.714
278 HE1 HIS 36 HE1 HIS 36 15.470 9.756 14.396
279 H GLN 37 H GLN 37 15.044 8.438 21.348
280 HA GLN 37 HA GLN 37 13.081 6.933 20.054
281 HB2 GLN 37 HB2 GLN 37 14.674 6.298 21.918
282 HB3 GLN 37 HB3 GLN 37 13.530 7.010 23.062
283 HG2 GLN 37 HG2 GLN 37 11.832 5.376 22.443
284 HG3 GLN 37 HG3 GLN 37 12.791 4.825 21.061
285 HE21 GLN 37 HE21 GLN 37 14.973 3.798 21.575
286 HE22 GLN 37 HE22 GLN 37 15.081 2.887 23.075
287 H GLU 38 H GLU 38 12.531 9.540 22.509
288 HA GLU 38 HA GLU 38 9.656 9.229 22.502
289 HB2 GLU 38 HB2 GLU 38 11.273 11.760 23.010
290 HB3 GLU 38 HB3 GLU 38 9.564 11.527 23.356
291 HG2 GLU 38 HG2 GLU 38 11.935 10.298 24.764
292 HG3 GLU 38 HG3 GLU 38 10.693 11.337 25.420
293 H LYS 39 H LYS 39 11.767 11.365 20.489
294 HA LYS 39 HA LYS 39 9.570 12.568 19.063
295 HB2 LYS 39 HB2 LYS 39 11.662 13.733 19.163
296 HB3 LYS 39 HB3 LYS 39 12.557 12.345 18.554
297 HG2 LYS 39 HG2 LYS 39 12.409 14.062 16.844
298 HG3 LYS 39 HG3 LYS 39 11.595 12.595 16.339
299 HD2 LYS 39 HD2 LYS 39 9.445 13.950 17.355
300 HD3 LYS 39 HD3 LYS 39 10.461 15.320 16.934
301 HE2 LYS 39 HE2 LYS 39 9.669 13.027 15.076
302 HE3 LYS 39 HE3 LYS 39 8.842 14.584 15.147
303 HZ1 LYS 39 HZ1 LYS 39 11.689 14.226 14.365
304 HZ2 LYS 39 HZ2 LYS 39 10.899 15.657 14.420
305 HZ3 LYS 39 HZ3 LYS 39 10.460 14.523 13.336
306 H CYS 40 H CYS 40 11.695 9.865 18.210
307 HA CYS 40 HA CYS 40 10.698 9.292 15.628
308 HB2 CYS 40 HB2 CYS 40 12.832 8.607 16.891
309 HB3 CYS 40 HB3 CYS 40 11.877 7.335 17.651
310 H ARG 41 H ARG 41 9.776 7.956 18.849
311 HA ARG 41 HA ARG 41 7.565 6.362 17.940
312 HB2 ARG 41 HB2 ARG 41 8.716 6.108 20.127
313 HB3 ARG 41 HB3 ARG 41 8.010 7.641 20.674
314 HG2 ARG 41 HG2 ARG 41 5.741 6.684 20.453
315 HG3 ARG 41 HG3 ARG 41 6.423 5.190 19.782
316 HD2 ARG 41 HD2 ARG 41 7.676 4.845 21.917
317 HD3 ARG 41 HD3 ARG 41 6.908 6.279 22.594
318 HE ARG 41 HE ARG 41 5.704 3.631 22.095
319 HH11 ARG 41 HH11 ARG 41 4.952 6.952 22.941
320 HH12 ARG 41 HH12 ARG 41 3.362 6.534 23.516
321 HH21 ARG 41 HH21 ARG 41 3.673 3.177 22.836
322 HH22 ARG 41 HH22 ARG 41 2.663 4.450 23.457
323 H TRP 42 H TRP 42 7.628 9.781 19.119
324 HA TRP 42 HA TRP 42 4.830 10.215 18.979
325 HB2 TRP 42 HB2 TRP 42 6.549 11.754 19.981
326 HB3 TRP 42 HB3 TRP 42 6.990 12.266 18.358
327 HD1 TRP 42 HD1 TRP 42 4.476 12.757 21.086
328 HE1 TRP 42 HE1 TRP 42 2.763 14.568 20.477
329 HE3 TRP 42 HE3 TRP 42 5.704 13.431 16.143
330 HZ2 TRP 42 HZ2 TRP 42 1.967 16.051 18.142
331 HZ3 TRP 42 HZ3 TRP 42 4.421 15.034 14.748
332 HH2 TRP 42 HH2 TRP 42 2.551 16.342 15.730
333 H LEU 43 H LEU 43 7.300 10.768 16.415
334 HA LEU 43 HA LEU 43 5.472 11.555 14.389
335 HB2 LEU 43 HB2 LEU 43 7.990 11.820 14.377
336 HB3 LEU 43 HB3 LEU 43 8.125 10.092 14.062
337 HG LEU 43 HG LEU 43 6.709 10.497 11.944
338 HD11 LEU 43 HD11 LEU 43 5.793 12.729 12.537
339 HD12 LEU 43 HD12 LEU 43 6.734 12.800 11.043
340 HD13 LEU 43 HD13 LEU 43 7.439 13.399 12.560
341 HD21 LEU 43 HD21 LEU 43 8.627 11.335 10.656
342 HD22 LEU 43 HD22 LEU 43 9.128 10.136 11.857
343 HD23 LEU 43 HD23 LEU 43 9.420 11.864 12.158
344 H ALA 44 H ALA 44 6.812 8.267 15.082
345 HA ALA 44 HA ALA 44 5.409 6.909 13.032
346 HB1 ALA 44 HB1 ALA 44 6.367 5.900 15.746
347 HB2 ALA 44 HB2 ALA 44 5.951 4.890 14.344
348 HB3 ALA 44 HB3 ALA 44 7.337 5.995 14.257
349 H SER 45 H SER 45 4.366 7.641 16.379
350 HA SER 45 HA SER 45 1.887 6.196 16.296
351 HB2 SER 45 HB2 SER 45 3.057 6.970 18.361
352 HB3 SER 45 HB3 SER 45 2.640 8.641 17.948
353 HG SER 45 HG SER 45 0.887 6.477 18.583
354 H SER 46 H SER 46 2.618 9.690 15.663
355 HA SER 46 HA SER 46 -0.074 10.375 14.922
356 HB2 SER 46 HB2 SER 46 2.594 11.701 14.323
357 HB3 SER 46 HB3 SER 46 1.020 12.409 13.920
358 HG SER 46 HG SER 46 0.473 12.401 16.114
359 H LYS 47 H LYS 47 2.613 9.088 12.988
360 HA LYS 47 HA LYS 47 1.254 9.380 10.430
361 HB2 LYS 47 HB2 LYS 47 3.802 9.287 10.910
362 HB3 LYS 47 HB3 LYS 47 3.598 7.547 11.048
363 HG2 LYS 47 HG2 LYS 47 4.246 7.825 8.812
364 HG3 LYS 47 HG3 LYS 47 2.500 7.716 8.663
365 HD2 LYS 47 HD2 LYS 47 3.079 9.500 7.265
366 HD3 LYS 47 HD3 LYS 47 2.482 10.309 8.721
367 HE2 LYS 47 HE2 LYS 47 4.867 10.555 9.502
368 HE3 LYS 47 HE3 LYS 47 5.407 9.770 8.013
369 HZ1 LYS 47 HZ1 LYS 47 4.378 11.613 6.766
370 HZ2 LYS 47 HZ2 LYS 47 5.518 12.170 7.788
371 HZ3 LYS 47 HZ3 LYS 47 3.940 12.351 8.157
372 H GLY 48 H GLY 48 -0.590 8.269 12.034
373 HA2 GLY 48 HA2 GLY 48 -0.724 5.338 11.703
374 HA3 GLY 48 HA3 GLY 48 -1.874 6.377 12.541
375 H LYS 49 H LYS 49 -1.391 7.782 9.554
376 HA LYS 49 HA LYS 49 -3.476 6.271 8.072
377 HB2 LYS 49 HB2 LYS 49 -4.421 7.987 9.811
378 HB3 LYS 49 HB3 LYS 49 -3.839 9.230 8.723
379 HG2 LYS 49 HG2 LYS 49 -5.908 7.065 8.114
380 HG3 LYS 49 HG3 LYS 49 -6.224 8.767 8.468
381 HD2 LYS 49 HD2 LYS 49 -4.837 9.340 6.399
382 HD3 LYS 49 HD3 LYS 49 -4.901 7.601 6.004
383 HE2 LYS 49 HE2 LYS 49 -7.382 7.702 6.038
384 HE3 LYS 49 HE3 LYS 49 -7.295 9.439 6.372
385 HZ1 LYS 49 HZ1 LYS 49 -6.229 8.102 3.941
386 HZ2 LYS 49 HZ2 LYS 49 -6.076 9.691 4.255
387 HZ3 LYS 49 HZ3 LYS 49 -7.562 9.050 3.998
388 H GLN 50 H GLN 50 -2.701 6.086 6.067
389 HA GLN 50 HA GLN 50 -0.588 7.577 4.913
390 HB2 GLN 50 HB2 GLN 50 -2.734 5.842 3.600
391 HB3 GLN 50 HB3 GLN 50 -1.344 6.518 2.763
392 HG2 GLN 50 HG2 GLN 50 -0.522 4.459 3.193
393 HG3 GLN 50 HG3 GLN 50 0.092 5.299 4.604
394 HE21 GLN 50 HE21 GLN 50 -1.524 2.499 3.579
395 HE22 GLN 50 HE22 GLN 50 -2.240 2.066 5.126
396 H VAL 51 H VAL 51 -0.479 9.029 3.197
397 HA VAL 51 HA VAL 51 -2.717 10.990 3.090
398 HB VAL 51 HB VAL 51 -0.983 12.635 2.492
399 HG11 VAL 51 HG11 VAL 51 -0.331 11.091 5.030
400 HG12 VAL 51 HG12 VAL 51 0.055 12.787 4.677
401 HG13 VAL 51 HG13 VAL 51 -1.634 12.282 4.840
402 HG21 VAL 51 HG21 VAL 51 1.063 10.436 3.050
403 HG22 VAL 51 HG22 VAL 51 0.673 11.063 1.434
404 HG23 VAL 51 HG23 VAL 51 1.379 12.134 2.651
405 H ARG 52 H ARG 52 -2.378 8.564 1.295
406 HA ARG 52 HA ARG 52 -2.523 7.908 -0.878
407 HB2 ARG 52 HB2 ARG 52 -4.656 9.307 -0.352
408 HB3 ARG 52 HB3 ARG 52 -3.959 10.530 -1.395
409 HG2 ARG 52 HG2 ARG 52 -5.502 9.292 -2.716
410 HG3 ARG 52 HG3 ARG 52 -3.911 8.799 -3.264
411 HD2 ARG 52 HD2 ARG 52 -5.266 6.844 -3.144
412 HD3 ARG 52 HD3 ARG 52 -4.098 6.740 -1.822
413 HE ARG 52 HE ARG 52 -6.655 7.963 -1.067
414 HH11 ARG 52 HH11 ARG 52 -5.078 4.851 -1.396
415 HH12 ARG 52 HH12 ARG 52 -6.184 4.074 -0.296
416 HH21 ARG 52 HH21 ARG 52 -8.046 6.904 0.299
417 HH22 ARG 52 HH22 ARG 52 -7.822 5.210 0.629
418 H ASN 53 H ASN 53 -0.058 9.123 -0.316
419 HA ASN 53 HA ASN 53 0.861 9.768 -3.037
420 HB2 ASN 53 HB2 ASN 53 0.181 11.956 -1.863
421 HB3 ASN 53 HB3 ASN 53 1.478 11.651 -0.711
422 HD21 ASN 53 HD21 ASN 53 0.707 12.538 -4.040
423 HD22 ASN 53 HD22 ASN 53 2.352 12.997 -4.461
424 H PHE 54 H PHE 54 3.132 9.472 -3.331
425 HA PHE 54 HA PHE 54 4.297 7.411 -1.654
426 HB2 PHE 54 HB2 PHE 54 4.378 7.644 -4.193
427 HB3 PHE 54 HB3 PHE 54 5.559 8.924 -3.969
428 HD1 PHE 54 HD2 PHE 54 4.854 5.299 -3.520
429 HD2 PHE 54 HD1 PHE 54 7.882 8.371 -3.418
430 HE1 PHE 54 HE2 PHE 54 6.625 3.555 -3.472
431 HE2 PHE 54 HE1 PHE 54 9.648 6.624 -3.374
432 HZ PHE 54 HZ PHE 54 9.022 4.215 -3.404
433 H SER 55 H SER 55 4.849 10.861 -2.058
434 HA SER 55 HA SER 55 6.474 12.336 -1.356
435 HB2 SER 55 HB2 SER 55 5.458 11.086 1.211
436 HB3 SER 55 HB3 SER 55 6.381 12.601 1.136
437 HG SER 55 HG SER 55 4.185 12.330 -0.595
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 10.308 -0.704 0.014
2 H2 GLY 1 H2 GLY 1 9.768 -0.833 -1.527
3 H3 GLY 1 H3 GLY 1 9.647 0.596 -0.735
4 HA2 GLY 1 HA2 GLY 1 12.164 -0.719 -1.526
5 HA3 GLY 1 HA3 GLY 1 11.449 0.696 -2.318
6 H SER 2 H SER 2 13.545 -0.392 0.104
7 HA SER 2 HA SER 2 14.024 2.352 1.148
8 HB2 SER 2 HB2 SER 2 14.075 1.468 3.482
9 HB3 SER 2 HB3 SER 2 12.478 1.439 2.736
10 HG SER 2 HG SER 2 14.237 -0.758 3.171
11 H GLU 3 H GLU 3 15.432 0.562 -0.717
12 HA GLU 3 HA GLU 3 17.729 -0.582 0.691
13 HB2 GLU 3 HB2 GLU 3 17.125 -0.360 -2.289
14 HB3 GLU 3 HB3 GLU 3 18.416 -1.302 -1.557
15 HG2 GLU 3 HG2 GLU 3 16.777 -2.885 -2.031
16 HG3 GLU 3 HG3 GLU 3 16.674 -2.631 -0.294
17 H PHE 4 H PHE 4 17.148 2.579 -0.097
18 HA PHE 4 HA PHE 4 19.538 3.454 -1.385
19 HB2 PHE 4 HB2 PHE 4 17.696 4.972 0.499
20 HB3 PHE 4 HB3 PHE 4 18.849 5.681 -0.621
21 HD1 PHE 4 HD2 PHE 4 18.545 4.872 -3.186
22 HD2 PHE 4 HD1 PHE 4 15.445 4.896 -0.183
23 HE1 PHE 4 HE2 PHE 4 16.816 4.937 -4.968
24 HE2 PHE 4 HE1 PHE 4 13.721 4.965 -1.969
25 HZ PHE 4 HZ PHE 4 14.403 4.985 -4.362
26 H THR 5 H THR 5 21.558 3.354 -0.653
27 HA THR 5 HA THR 5 22.246 3.979 2.177
28 HB THR 5 HB THR 5 23.849 2.062 2.202
29 HG1 THR 5 HG1 THR 5 23.926 1.543 0.035
30 HG21 THR 5 HG21 THR 5 22.252 0.375 2.832
31 HG22 THR 5 HG22 THR 5 20.952 1.186 1.936
32 HG23 THR 5 HG23 THR 5 21.666 1.958 3.371
33 H SER 6 H SER 6 22.539 5.884 0.482
34 HA SER 6 HA SER 6 25.252 5.842 -0.741
35 HB2 SER 6 HB2 SER 6 22.908 7.709 -1.225
36 HB3 SER 6 HB3 SER 6 24.450 7.694 -2.107
37 HG SER 6 HG SER 6 22.834 6.513 -3.220
38 H SER 7 H SER 7 25.488 6.045 1.914
39 HA SER 7 HA SER 7 26.348 8.853 2.433
40 HB2 SER 7 HB2 SER 7 25.467 8.623 4.771
41 HB3 SER 7 HB3 SER 7 24.279 8.855 3.489
42 HG SER 7 HG SER 7 23.686 6.729 3.600
43 HA PRO 8 HA PRO 8 29.636 5.724 3.428
44 HB2 PRO 8 HB2 PRO 8 31.671 6.653 1.883
45 HB3 PRO 8 HB3 PRO 8 30.292 5.745 1.210
46 HG2 PRO 8 HG2 PRO 8 30.619 8.766 1.322
47 HG3 PRO 8 HG3 PRO 8 30.233 7.750 -0.105
48 HD2 PRO 8 HD2 PRO 8 28.290 8.977 1.354
49 HD3 PRO 8 HD3 PRO 8 28.044 7.353 0.645
50 H ARG 9 H ARG 9 29.113 7.016 5.502
51 HA ARG 9 HA ARG 9 31.628 8.259 6.488
52 HB2 ARG 9 HB2 ARG 9 30.071 10.083 5.660
53 HB3 ARG 9 HB3 ARG 9 28.871 9.538 6.822
54 HG2 ARG 9 HG2 ARG 9 29.984 11.487 7.666
55 HG3 ARG 9 HG3 ARG 9 30.444 10.121 8.689
56 HD2 ARG 9 HD2 ARG 9 32.631 9.989 7.638
57 HD3 ARG 9 HD3 ARG 9 32.140 11.130 6.367
58 HE ARG 9 HE ARG 9 31.850 12.376 8.928
59 HH11 ARG 9 HH11 ARG 9 34.423 11.413 6.754
60 HH12 ARG 9 HH12 ARG 9 35.475 12.698 7.283
61 HH21 ARG 9 HH21 ARG 9 33.236 14.003 9.544
62 HH22 ARG 9 HH22 ARG 9 34.814 14.120 8.823
63 H GLY 10 H GLY 10 32.182 7.414 8.386
64 HA2 GLY 10 HA2 GLY 10 31.053 7.439 10.762
65 HA3 GLY 10 HA3 GLY 10 30.223 6.012 10.141
66 H ASP 11 H ASP 11 31.579 4.217 9.388
67 HA ASP 11 HA ASP 11 32.959 2.500 9.950
68 HB2 ASP 11 HB2 ASP 11 35.031 4.666 9.485
69 HB3 ASP 11 HB3 ASP 11 35.311 2.927 9.384
70 H LYS 12 H LYS 12 32.027 3.813 12.331
71 HA LYS 12 HA LYS 12 33.978 4.173 14.317
72 HB2 LYS 12 HB2 LYS 12 32.244 4.380 15.826
73 HB3 LYS 12 HB3 LYS 12 31.505 4.853 14.318
74 HG2 LYS 12 HG2 LYS 12 31.153 2.233 15.839
75 HG3 LYS 12 HG3 LYS 12 29.983 3.520 15.660
76 HD2 LYS 12 HD2 LYS 12 30.918 1.694 13.410
77 HD3 LYS 12 HD3 LYS 12 29.420 1.554 14.326
78 HE2 LYS 12 HE2 LYS 12 28.705 3.794 13.530
79 HE3 LYS 12 HE3 LYS 12 30.176 3.933 12.573
80 HZ1 LYS 12 HZ1 LYS 12 29.463 1.935 11.330
81 HZ2 LYS 12 HZ2 LYS 12 28.334 3.112 11.217
82 HZ3 LYS 12 HZ3 LYS 12 28.093 1.841 12.210
83 H ALA 13 H ALA 13 34.422 3.015 16.259
84 HA ALA 13 HA ALA 13 34.536 0.038 15.959
85 HB1 ALA 13 HB1 ALA 13 36.151 1.924 17.724
86 HB2 ALA 13 HB2 ALA 13 36.382 0.169 17.563
87 HB3 ALA 13 HB3 ALA 13 36.684 1.230 16.174
88 H ALA 14 H ALA 14 33.141 2.565 17.963
89 HA ALA 14 HA ALA 14 32.574 0.847 20.243
90 HB1 ALA 14 HB1 ALA 14 31.726 2.927 21.211
91 HB2 ALA 14 HB2 ALA 14 33.285 3.214 20.433
92 HB3 ALA 14 HB3 ALA 14 31.781 3.727 19.627
93 H TYR 15 H TYR 15 31.274 -0.039 17.763
94 HA TYR 15 HA TYR 15 28.525 0.716 17.645
95 HB2 TYR 15 HB2 TYR 15 28.279 -0.953 16.049
96 HB3 TYR 15 HB3 TYR 15 29.943 -0.438 15.857
97 HD1 TYR 15 HD1 TYR 15 31.819 -1.969 16.519
98 HD2 TYR 15 HD2 TYR 15 27.685 -3.153 16.919
99 HE1 TYR 15 HE1 TYR 15 32.522 -4.332 16.888
100 HE2 TYR 15 HE2 TYR 15 28.391 -5.505 17.289
101 HH TYR 15 HH TYR 15 30.148 -6.956 17.480
102 H ASP 16 H ASP 16 30.096 -1.282 19.973
103 HA ASP 16 HA ASP 16 27.791 -2.900 20.724
104 HB2 ASP 16 HB2 ASP 16 29.197 -3.719 22.467
105 HB3 ASP 16 HB3 ASP 16 30.158 -3.629 20.998
106 H ILE 17 H ILE 17 28.710 0.353 21.370
107 HA ILE 17 HA ILE 17 26.742 0.523 23.623
108 HB ILE 17 HB ILE 17 28.838 0.982 24.516
109 HG12 ILE 17 HG12 ILE 17 26.856 2.523 25.068
110 HG13 ILE 17 HG13 ILE 17 28.463 2.911 25.650
111 HG21 ILE 17 HG21 ILE 17 29.406 2.984 22.307
112 HG22 ILE 17 HG22 ILE 17 30.371 2.776 23.781
113 HG23 ILE 17 HG23 ILE 17 30.242 1.449 22.632
114 HD11 ILE 17 HD11 ILE 17 27.218 4.905 24.881
115 HD12 ILE 17 HD12 ILE 17 28.744 4.684 24.015
116 HD13 ILE 17 HD13 ILE 17 27.211 4.268 23.228
117 H LEU 18 H LEU 18 27.943 2.166 20.668
118 HA LEU 18 HA LEU 18 25.746 4.036 20.487
119 HB2 LEU 18 HB2 LEU 18 27.589 2.793 18.405
120 HB3 LEU 18 HB3 LEU 18 26.445 4.080 18.049
121 HG LEU 18 HG LEU 18 28.631 4.420 20.144
122 HD11 LEU 18 HD11 LEU 18 29.914 5.605 18.408
123 HD12 LEU 18 HD12 LEU 18 28.706 5.141 17.186
124 HD13 LEU 18 HD13 LEU 18 29.690 3.898 18.000
125 HD21 LEU 18 HD21 LEU 18 27.028 6.439 18.501
126 HD22 LEU 18 HD22 LEU 18 28.255 6.811 19.734
127 HD23 LEU 18 HD23 LEU 18 26.738 6.043 20.204
128 H ARG 19 H ARG 19 23.747 3.855 19.536
129 HA ARG 19 HA ARG 19 22.902 1.188 18.432
130 HB2 ARG 19 HB2 ARG 19 22.337 1.825 20.910
131 HB3 ARG 19 HB3 ARG 19 21.150 2.905 20.206
132 HG2 ARG 19 HG2 ARG 19 21.292 -0.126 19.825
133 HG3 ARG 19 HG3 ARG 19 20.263 0.722 20.972
134 HD2 ARG 19 HD2 ARG 19 19.204 1.909 18.958
135 HD3 ARG 19 HD3 ARG 19 20.020 0.716 17.946
136 HE ARG 19 HE ARG 19 17.714 0.314 19.705
137 HH11 ARG 19 HH11 ARG 19 20.221 -1.450 17.986
138 HH12 ARG 19 HH12 ARG 19 19.307 -2.931 18.023
139 HH21 ARG 19 HH21 ARG 19 16.632 -1.610 19.717
140 HH22 ARG 19 HH22 ARG 19 17.340 -3.014 18.976
141 H ARG 20 H ARG 20 21.967 1.294 16.525
142 HA ARG 20 HA ARG 20 21.376 3.874 15.252
143 HB2 ARG 20 HB2 ARG 20 21.067 2.568 13.198
144 HB3 ARG 20 HB3 ARG 20 22.648 2.369 13.912
145 HG2 ARG 20 HG2 ARG 20 20.566 0.283 14.548
146 HG3 ARG 20 HG3 ARG 20 21.229 0.322 12.926
147 HD2 ARG 20 HD2 ARG 20 23.014 0.195 15.388
148 HD3 ARG 20 HD3 ARG 20 22.354 -1.236 14.581
149 HE ARG 20 HE ARG 20 23.607 0.374 12.606
150 HH11 ARG 20 HH11 ARG 20 24.591 -1.616 15.321
151 HH12 ARG 20 HH12 ARG 20 26.076 -2.092 14.546
152 HH21 ARG 20 HH21 ARG 20 25.504 -0.310 11.668
153 HH22 ARG 20 HH22 ARG 20 26.577 -1.360 12.546
154 H CYS 21 H CYS 21 19.464 4.679 14.620
155 HA CYS 21 HA CYS 21 16.931 3.438 15.467
156 HB2 CYS 21 HB2 CYS 21 17.311 5.881 15.537
157 HB3 CYS 21 HB3 CYS 21 17.546 5.892 13.783
158 H SER 22 H SER 22 15.929 1.900 14.289
159 HA SER 22 HA SER 22 16.802 1.037 11.690
160 HB2 SER 22 HB2 SER 22 14.866 -0.508 11.833
161 HB3 SER 22 HB3 SER 22 15.903 -0.545 13.265
162 HG SER 22 HG SER 22 13.656 -0.467 13.801
163 H GLN 23 H GLN 23 14.835 3.678 12.456
164 HA GLN 23 HA GLN 23 13.545 3.646 9.756
165 HB2 GLN 23 HB2 GLN 23 12.129 3.497 11.937
166 HB3 GLN 23 HB3 GLN 23 12.577 5.181 12.175
167 HG2 GLN 23 HG2 GLN 23 10.457 5.240 11.184
168 HG3 GLN 23 HG3 GLN 23 11.523 5.636 9.853
169 HE21 GLN 23 HE21 GLN 23 8.859 3.755 10.695
170 HE22 GLN 23 HE22 GLN 23 9.013 2.536 9.438
171 H CYS 24 H CYS 24 15.837 5.324 11.718
172 HA CYS 24 HA CYS 24 15.762 7.713 9.917
173 HB2 CYS 24 HB2 CYS 24 16.806 7.604 12.753
174 HB3 CYS 24 HB3 CYS 24 16.515 9.024 11.762
175 H GLY 25 H GLY 25 17.853 5.149 11.109
176 HA2 GLY 25 HA2 GLY 25 19.892 4.465 10.321
177 HA3 GLY 25 HA3 GLY 25 19.943 5.846 9.229
178 H ILE 26 H ILE 26 19.562 7.533 11.895
179 HA ILE 26 HA ILE 26 22.344 8.095 12.402
180 HB ILE 26 HB ILE 26 20.564 9.772 12.512
181 HG12 ILE 26 HG12 ILE 26 21.939 9.515 15.216
182 HG13 ILE 26 HG13 ILE 26 22.739 10.041 13.730
183 HG21 ILE 26 HG21 ILE 26 18.991 9.926 14.375
184 HG22 ILE 26 HG22 ILE 26 18.763 8.392 13.546
185 HG23 ILE 26 HG23 ILE 26 19.627 8.433 15.087
186 HD11 ILE 26 HD11 ILE 26 20.464 11.468 15.163
187 HD12 ILE 26 HD12 ILE 26 22.148 11.985 15.017
188 HD13 ILE 26 HD13 ILE 26 21.114 11.948 13.575
189 H LEU 27 H LEU 27 23.572 7.767 14.282
190 HA LEU 27 HA LEU 27 22.742 5.535 16.099
191 HB2 LEU 27 HB2 LEU 27 25.462 6.371 15.014
192 HB3 LEU 27 HB3 LEU 27 25.289 5.447 16.493
193 HG LEU 27 HG LEU 27 24.122 3.635 15.250
194 HD11 LEU 27 HD11 LEU 27 23.324 4.764 13.242
195 HD12 LEU 27 HD12 LEU 27 24.505 3.553 12.756
196 HD13 LEU 27 HD13 LEU 27 24.975 5.266 12.811
197 HD21 LEU 27 HD21 LEU 27 26.898 4.417 14.288
198 HD22 LEU 27 HD22 LEU 27 26.196 2.777 14.204
199 HD23 LEU 27 HD23 LEU 27 26.518 3.519 15.774
200 H LEU 28 H LEU 28 22.651 5.952 18.223
201 HA LEU 28 HA LEU 28 23.790 8.511 19.295
202 HB2 LEU 28 HB2 LEU 28 21.202 7.116 20.080
203 HB3 LEU 28 HB3 LEU 28 21.895 8.500 20.883
204 HG LEU 28 HG LEU 28 20.147 9.372 19.707
205 HD11 LEU 28 HD11 LEU 28 21.006 10.914 18.113
206 HD12 LEU 28 HD12 LEU 28 22.389 9.878 17.736
207 HD13 LEU 28 HD13 LEU 28 22.271 10.647 19.328
208 HD21 LEU 28 HD21 LEU 28 19.507 8.978 17.440
209 HD22 LEU 28 HD22 LEU 28 19.659 7.422 18.270
210 HD23 LEU 28 HD23 LEU 28 20.924 7.957 17.143
211 HA PRO 29 HA PRO 29 25.854 5.850 22.170
212 HB2 PRO 29 HB2 PRO 29 26.388 7.525 24.290
213 HB3 PRO 29 HB3 PRO 29 27.205 7.603 22.704
214 HG2 PRO 29 HG2 PRO 29 24.890 9.295 23.684
215 HG3 PRO 29 HG3 PRO 29 26.374 9.820 22.833
216 HD2 PRO 29 HD2 PRO 29 24.013 9.431 21.525
217 HD3 PRO 29 HD3 PRO 29 25.581 9.039 20.766
218 H LEU 30 H LEU 30 23.644 7.827 24.210
219 HA LEU 30 HA LEU 30 22.027 5.621 25.096
220 HB2 LEU 30 HB2 LEU 30 24.569 6.040 26.495
221 HB3 LEU 30 HB3 LEU 30 23.234 6.285 27.600
222 HG LEU 30 HG LEU 30 23.267 3.804 25.853
223 HD11 LEU 30 HD11 LEU 30 25.454 3.871 26.958
224 HD12 LEU 30 HD12 LEU 30 24.425 2.617 27.664
225 HD13 LEU 30 HD13 LEU 30 24.674 4.153 28.531
226 HD21 LEU 30 HD21 LEU 30 22.166 4.368 28.635
227 HD22 LEU 30 HD22 LEU 30 21.970 2.874 27.693
228 HD23 LEU 30 HD23 LEU 30 21.211 4.376 27.134
229 HA PRO 31 HA PRO 31 20.676 9.442 27.613
230 HB2 PRO 31 HB2 PRO 31 22.052 11.837 27.455
231 HB3 PRO 31 HB3 PRO 31 22.359 10.566 28.674
232 HG2 PRO 31 HG2 PRO 31 23.838 11.045 26.073
233 HG3 PRO 31 HG3 PRO 31 24.522 10.761 27.705
234 HD2 PRO 31 HD2 PRO 31 24.331 8.752 25.927
235 HD3 PRO 31 HD3 PRO 31 23.962 8.473 27.648
236 H ILE 32 H ILE 32 22.111 10.068 24.441
237 HA ILE 32 HA ILE 32 19.980 11.915 23.617
238 HB ILE 32 HB ILE 32 22.102 10.686 21.835
239 HG12 ILE 32 HG12 ILE 32 22.399 13.181 23.568
240 HG13 ILE 32 HG13 ILE 32 23.274 11.665 23.783
241 HG21 ILE 32 HG21 ILE 32 20.593 13.342 21.719
242 HG22 ILE 32 HG22 ILE 32 21.761 12.760 20.516
243 HG23 ILE 32 HG23 ILE 32 20.239 11.920 20.718
244 HD11 ILE 32 HD11 ILE 32 23.612 13.596 21.480
245 HD12 ILE 32 HD12 ILE 32 24.771 13.158 22.741
246 HD13 ILE 32 HD13 ILE 32 24.309 11.955 21.522
247 H LEU 33 H LEU 33 20.653 8.458 23.319
248 HA LEU 33 HA LEU 33 19.013 7.828 21.081
249 HB2 LEU 33 HB2 LEU 33 20.723 6.376 22.499
250 HB3 LEU 33 HB3 LEU 33 19.322 6.008 23.478
251 HG LEU 33 HG LEU 33 20.043 5.153 20.689
252 HD11 LEU 33 HD11 LEU 33 19.212 2.982 21.547
253 HD12 LEU 33 HD12 LEU 33 18.694 3.768 23.045
254 HD13 LEU 33 HD13 LEU 33 20.423 3.692 22.631
255 HD21 LEU 33 HD21 LEU 33 17.144 5.132 21.587
256 HD22 LEU 33 HD22 LEU 33 17.820 4.296 20.171
257 HD23 LEU 33 HD23 LEU 33 17.816 6.054 20.213
258 H ASN 34 H ASN 34 18.223 7.980 24.577
259 HA ASN 34 HA ASN 34 15.521 7.198 24.441
260 HB2 ASN 34 HB2 ASN 34 16.958 9.144 26.303
261 HB3 ASN 34 HB3 ASN 34 15.289 8.630 26.535
262 HD21 ASN 34 HD21 ASN 34 16.613 8.076 28.650
263 HD22 ASN 34 HD22 ASN 34 17.118 6.392 28.712
264 H GLN 35 H GLN 35 16.810 10.559 24.115
265 HA GLN 35 HA GLN 35 14.266 11.780 23.674
266 HB2 GLN 35 HB2 GLN 35 16.320 12.992 24.314
267 HB3 GLN 35 HB3 GLN 35 17.022 12.672 22.718
268 HG2 GLN 35 HG2 GLN 35 15.265 14.001 21.634
269 HG3 GLN 35 HG3 GLN 35 14.397 14.170 23.161
270 HE21 GLN 35 HE21 GLN 35 14.872 16.001 24.406
271 HE22 GLN 35 HE22 GLN 35 16.262 17.034 24.104
272 H HIS 36 H HIS 36 16.637 10.428 21.306
273 HA HIS 36 HA HIS 36 15.111 11.073 18.972
274 HB2 HIS 36 HB2 HIS 36 17.494 10.327 18.973
275 HB3 HIS 36 HB3 HIS 36 16.966 8.693 19.390
276 HD1 HIS 36 HD1 HIS 36 16.990 11.150 16.454
277 HD2 HIS 36 HD2 HIS 36 15.652 7.290 17.444
278 HE1 HIS 36 HE1 HIS 36 16.245 10.086 14.269
279 H GLN 37 H GLN 37 15.021 8.171 21.089
280 HA GLN 37 HA GLN 37 13.147 6.711 19.552
281 HB2 GLN 37 HB2 GLN 37 14.706 5.935 21.451
282 HB3 GLN 37 HB3 GLN 37 13.491 6.537 22.572
283 HG2 GLN 37 HG2 GLN 37 13.235 4.137 22.232
284 HG3 GLN 37 HG3 GLN 37 11.819 4.975 21.595
285 HE21 GLN 37 HE21 GLN 37 15.112 3.996 20.334
286 HE22 GLN 37 HE22 GLN 37 14.460 3.352 18.835
287 H GLU 38 H GLU 38 12.547 9.007 22.284
288 HA GLU 38 HA GLU 38 9.680 8.709 22.246
289 HB2 GLU 38 HB2 GLU 38 11.286 11.191 22.975
290 HB3 GLU 38 HB3 GLU 38 9.588 10.910 23.322
291 HG2 GLU 38 HG2 GLU 38 11.991 9.593 24.584
292 HG3 GLU 38 HG3 GLU 38 10.744 10.550 25.342
293 H LYS 39 H LYS 39 11.848 10.768 20.283
294 HA LYS 39 HA LYS 39 9.677 12.198 19.014
295 HB2 LYS 39 HB2 LYS 39 12.213 12.790 19.327
296 HB3 LYS 39 HB3 LYS 39 12.450 11.946 17.805
297 HG2 LYS 39 HG2 LYS 39 10.395 14.178 18.199
298 HG3 LYS 39 HG3 LYS 39 12.073 14.538 17.863
299 HD2 LYS 39 HD2 LYS 39 10.316 12.870 16.027
300 HD3 LYS 39 HD3 LYS 39 10.524 14.601 15.864
301 HE2 LYS 39 HE2 LYS 39 12.825 12.594 15.755
302 HE3 LYS 39 HE3 LYS 39 11.952 13.178 14.338
303 HZ1 LYS 39 HZ1 LYS 39 12.639 15.445 14.917
304 HZ2 LYS 39 HZ2 LYS 39 13.939 14.492 14.682
305 HZ3 LYS 39 HZ3 LYS 39 13.499 14.902 16.197
306 H CYS 40 H CYS 40 11.642 9.379 17.919
307 HA CYS 40 HA CYS 40 10.277 8.823 15.502
308 HB2 CYS 40 HB2 CYS 40 11.707 7.131 17.578
309 HB3 CYS 40 HB3 CYS 40 10.864 6.366 16.231
310 H ARG 41 H ARG 41 9.465 7.702 18.837
311 HA ARG 41 HA ARG 41 7.028 6.354 18.223
312 HB2 ARG 41 HB2 ARG 41 8.160 7.712 20.681
313 HB3 ARG 41 HB3 ARG 41 6.478 7.233 20.701
314 HG2 ARG 41 HG2 ARG 41 8.733 5.282 20.072
315 HG3 ARG 41 HG3 ARG 41 8.092 5.587 21.691
316 HD2 ARG 41 HD2 ARG 41 5.755 5.032 20.711
317 HD3 ARG 41 HD3 ARG 41 6.613 4.416 19.305
318 HE ARG 41 HE ARG 41 7.295 2.556 20.516
319 HH11 ARG 41 HH11 ARG 41 5.980 4.849 22.829
320 HH12 ARG 41 HH12 ARG 41 5.972 3.678 24.117
321 HH21 ARG 41 HH21 ARG 41 7.241 1.118 22.208
322 HH22 ARG 41 HH22 ARG 41 6.663 1.627 23.769
323 H TRP 42 H TRP 42 7.434 9.805 19.159
324 HA TRP 42 HA TRP 42 4.672 10.426 19.023
325 HB2 TRP 42 HB2 TRP 42 6.523 11.799 20.060
326 HB3 TRP 42 HB3 TRP 42 6.951 12.350 18.445
327 HD1 TRP 42 HD1 TRP 42 4.519 12.854 21.256
328 HE1 TRP 42 HE1 TRP 42 2.863 14.748 20.749
329 HE3 TRP 42 HE3 TRP 42 5.660 13.640 16.314
330 HZ2 TRP 42 HZ2 TRP 42 2.064 16.328 18.476
331 HZ3 TRP 42 HZ3 TRP 42 4.398 15.324 14.994
332 HH2 TRP 42 HH2 TRP 42 2.600 16.667 16.059
333 H LEU 43 H LEU 43 7.170 10.781 16.443
334 HA LEU 43 HA LEU 43 5.377 11.771 14.438
335 HB2 LEU 43 HB2 LEU 43 8.021 10.269 14.316
336 HB3 LEU 43 HB3 LEU 43 7.169 10.768 12.860
337 HG LEU 43 HG LEU 43 8.117 12.701 15.018
338 HD11 LEU 43 HD11 LEU 43 9.258 12.031 12.265
339 HD12 LEU 43 HD12 LEU 43 9.990 11.610 13.828
340 HD13 LEU 43 HD13 LEU 43 9.842 13.313 13.345
341 HD21 LEU 43 HD21 LEU 43 6.224 13.638 13.752
342 HD22 LEU 43 HD22 LEU 43 6.993 13.171 12.216
343 HD23 LEU 43 HD23 LEU 43 7.723 14.417 13.251
344 H ALA 44 H ALA 44 6.423 8.367 15.076
345 HA ALA 44 HA ALA 44 4.863 7.234 12.985
346 HB1 ALA 44 HB1 ALA 44 5.803 6.009 15.615
347 HB2 ALA 44 HB2 ALA 44 5.264 5.114 14.178
348 HB3 ALA 44 HB3 ALA 44 6.739 6.096 14.105
349 H SER 45 H SER 45 3.983 7.921 16.391
350 HA SER 45 HA SER 45 1.355 6.699 16.239
351 HB2 SER 45 HB2 SER 45 2.400 8.822 18.154
352 HB3 SER 45 HB3 SER 45 0.914 7.873 18.343
353 HG SER 45 HG SER 45 3.608 6.983 18.374
354 H SER 46 H SER 46 2.542 10.036 15.704
355 HA SER 46 HA SER 46 -0.049 11.235 15.303
356 HB2 SER 46 HB2 SER 46 2.007 12.501 15.866
357 HB3 SER 46 HB3 SER 46 2.700 12.072 14.294
358 HG SER 46 HG SER 46 0.425 13.701 14.846
359 H LYS 47 H LYS 47 2.382 9.909 13.025
360 HA LYS 47 HA LYS 47 0.336 9.376 10.980
361 HB2 LYS 47 HB2 LYS 47 1.446 10.696 9.235
362 HB3 LYS 47 HB3 LYS 47 0.758 11.667 10.525
363 HG2 LYS 47 HG2 LYS 47 3.144 11.825 11.513
364 HG3 LYS 47 HG3 LYS 47 3.698 11.149 9.970
365 HD2 LYS 47 HD2 LYS 47 2.492 13.027 8.790
366 HD3 LYS 47 HD3 LYS 47 2.136 13.724 10.387
367 HE2 LYS 47 HE2 LYS 47 4.614 13.740 10.865
368 HE3 LYS 47 HE3 LYS 47 4.898 13.164 9.215
369 HZ1 LYS 47 HZ1 LYS 47 5.108 15.564 9.319
370 HZ2 LYS 47 HZ2 LYS 47 3.612 15.742 9.945
371 HZ3 LYS 47 HZ3 LYS 47 3.800 15.207 8.411
372 H GLY 48 H GLY 48 0.780 7.248 11.191
373 HA2 GLY 48 HA2 GLY 48 3.416 6.240 10.153
374 HA3 GLY 48 HA3 GLY 48 2.317 5.357 11.208
375 H LYS 49 H LYS 49 0.545 6.947 8.856
376 HA LYS 49 HA LYS 49 0.579 4.781 6.808
377 HB2 LYS 49 HB2 LYS 49 -1.869 4.478 7.024
378 HB3 LYS 49 HB3 LYS 49 -0.988 3.939 8.438
379 HG2 LYS 49 HG2 LYS 49 -1.948 6.778 8.549
380 HG3 LYS 49 HG3 LYS 49 -3.219 5.574 8.471
381 HD2 LYS 49 HD2 LYS 49 -0.954 5.343 10.490
382 HD3 LYS 49 HD3 LYS 49 -2.346 6.370 10.808
383 HE2 LYS 49 HE2 LYS 49 -2.616 3.423 10.072
384 HE3 LYS 49 HE3 LYS 49 -2.386 3.971 11.735
385 HZ1 LYS 49 HZ1 LYS 49 -4.738 3.723 11.233
386 HZ2 LYS 49 HZ2 LYS 49 -4.659 4.787 10.001
387 HZ3 LYS 49 HZ3 LYS 49 -4.417 5.291 11.538
388 H GLN 50 H GLN 50 0.277 8.076 7.439
389 HA GLN 50 HA GLN 50 -0.907 8.666 4.755
390 HB2 GLN 50 HB2 GLN 50 -1.240 10.140 7.398
391 HB3 GLN 50 HB3 GLN 50 -1.703 10.806 5.827
392 HG2 GLN 50 HG2 GLN 50 -3.289 8.974 5.447
393 HG3 GLN 50 HG3 GLN 50 -2.832 8.225 6.973
394 HE21 GLN 50 HE21 GLN 50 -4.275 8.660 8.643
395 HE22 GLN 50 HE22 GLN 50 -5.228 10.133 8.747
396 H VAL 51 H VAL 51 1.771 8.084 5.122
397 HA VAL 51 HA VAL 51 3.457 10.413 5.396
398 HB VAL 51 HB VAL 51 5.271 8.918 4.726
399 HG11 VAL 51 HG11 VAL 51 3.378 7.489 6.635
400 HG12 VAL 51 HG12 VAL 51 5.142 7.345 6.546
401 HG13 VAL 51 HG13 VAL 51 4.410 8.874 7.058
402 HG21 VAL 51 HG21 VAL 51 4.150 7.568 2.976
403 HG22 VAL 51 HG22 VAL 51 4.885 6.548 4.213
404 HG23 VAL 51 HG23 VAL 51 3.130 6.796 4.210
405 H ARG 52 H ARG 52 1.333 10.443 3.224
406 HA ARG 52 HA ARG 52 2.991 11.337 0.901
407 HB2 ARG 52 HB2 ARG 52 0.452 9.639 0.853
408 HB3 ARG 52 HB3 ARG 52 1.150 10.400 -0.570
409 HG2 ARG 52 HG2 ARG 52 2.646 8.362 1.137
410 HG3 ARG 52 HG3 ARG 52 1.643 7.918 -0.231
411 HD2 ARG 52 HD2 ARG 52 3.996 9.839 -0.479
412 HD3 ARG 52 HD3 ARG 52 4.123 8.085 -0.672
413 HE ARG 52 HE ARG 52 2.023 9.167 -2.342
414 HH11 ARG 52 HH11 ARG 52 5.507 8.804 -2.287
415 HH12 ARG 52 HH12 ARG 52 5.615 8.715 -4.025
416 HH21 ARG 52 HH21 ARG 52 2.235 9.036 -4.549
417 HH22 ARG 52 HH22 ARG 52 3.809 8.856 -5.263
418 H ASN 53 H ASN 53 2.410 13.219 0.096
419 HA ASN 53 HA ASN 53 -0.122 14.556 0.961
420 HB2 ASN 53 HB2 ASN 53 1.206 16.626 1.246
421 HB3 ASN 53 HB3 ASN 53 1.666 15.344 2.355
422 HD21 ASN 53 HD21 ASN 53 3.576 16.903 2.524
423 HD22 ASN 53 HD22 ASN 53 4.905 16.579 1.420
424 H PHE 54 H PHE 54 1.852 13.729 -1.700
425 HA PHE 54 HA PHE 54 -0.103 14.949 -3.532
426 HB2 PHE 54 HB2 PHE 54 2.918 15.275 -3.819
427 HB3 PHE 54 HB3 PHE 54 1.752 15.608 -5.088
428 HD1 PHE 54 HD1 PHE 54 -0.017 17.428 -4.722
429 HD2 PHE 54 HD2 PHE 54 3.442 16.965 -2.189
430 HE1 PHE 54 HE1 PHE 54 -0.312 19.751 -3.890
431 HE2 PHE 54 HE2 PHE 54 3.139 19.284 -1.351
432 HZ PHE 54 HZ PHE 54 1.261 20.680 -2.200
433 H SER 55 H SER 55 -0.510 13.636 -5.280
434 HA SER 55 HA SER 55 1.075 11.269 -5.946
435 HB2 SER 55 HB2 SER 55 -0.763 9.675 -5.433
436 HB3 SER 55 HB3 SER 55 -0.052 10.411 -3.990
437 HG SER 55 HG SER 55 -2.364 10.412 -3.912
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 20.002 -7.649 -1.163
2 H2 GLY 1 H2 GLY 1 19.565 -7.976 -2.717
3 H3 GLY 1 H3 GLY 1 18.507 -8.256 -1.489
4 HA2 GLY 1 HA2 GLY 1 17.868 -6.274 -2.662
5 HA3 GLY 1 HA3 GLY 1 18.371 -5.879 -1.023
6 H SER 2 H SER 2 20.250 -4.697 -0.686
7 HA SER 2 HA SER 2 21.916 -3.864 -3.029
8 HB2 SER 2 HB2 SER 2 20.686 -2.003 -0.942
9 HB3 SER 2 HB3 SER 2 21.878 -1.538 -2.170
10 HG SER 2 HG SER 2 19.715 -1.073 -2.833
11 H GLU 3 H GLU 3 23.991 -2.920 -2.348
12 HA GLU 3 HA GLU 3 24.961 -3.744 0.342
13 HB2 GLU 3 HB2 GLU 3 25.188 -5.659 -1.253
14 HB3 GLU 3 HB3 GLU 3 26.190 -4.651 -2.291
15 HG2 GLU 3 HG2 GLU 3 27.628 -6.065 -0.991
16 HG3 GLU 3 HG3 GLU 3 27.843 -4.419 -0.415
17 H PHE 4 H PHE 4 25.716 -1.911 1.155
18 HA PHE 4 HA PHE 4 26.848 0.202 -0.516
19 HB2 PHE 4 HB2 PHE 4 25.214 0.558 1.345
20 HB3 PHE 4 HB3 PHE 4 26.464 0.116 2.495
21 HD1 PHE 4 HD1 PHE 4 25.768 2.463 -0.372
22 HD2 PHE 4 HD2 PHE 4 27.847 1.862 3.358
23 HE1 PHE 4 HE1 PHE 4 26.498 4.836 -0.398
24 HE2 PHE 4 HE2 PHE 4 28.566 4.240 3.335
25 HZ PHE 4 HZ PHE 4 27.892 5.726 1.459
26 H THR 5 H THR 5 28.652 -0.976 -1.301
27 HA THR 5 HA THR 5 30.998 -1.170 0.551
28 HB THR 5 HB THR 5 29.884 -3.322 0.010
29 HG1 THR 5 HG1 THR 5 31.806 -4.387 -0.359
30 HG21 THR 5 HG21 THR 5 30.234 -4.407 -2.129
31 HG22 THR 5 HG22 THR 5 31.021 -2.967 -2.792
32 HG23 THR 5 HG23 THR 5 29.299 -2.930 -2.370
33 H SER 6 H SER 6 30.121 0.965 -1.343
34 HA SER 6 HA SER 6 32.473 1.155 -3.171
35 HB2 SER 6 HB2 SER 6 30.850 2.130 -4.825
36 HB3 SER 6 HB3 SER 6 30.647 0.412 -4.470
37 HG SER 6 HG SER 6 28.643 1.542 -4.481
38 H SER 7 H SER 7 32.829 2.303 -0.840
39 HA SER 7 HA SER 7 32.467 5.251 -1.249
40 HB2 SER 7 HB2 SER 7 32.074 3.572 1.256
41 HB3 SER 7 HB3 SER 7 32.390 5.309 1.333
42 HG SER 7 HG SER 7 30.236 4.035 -0.030
43 HA PRO 8 HA PRO 8 36.812 5.586 -0.671
44 HB2 PRO 8 HB2 PRO 8 37.162 8.057 0.461
45 HB3 PRO 8 HB3 PRO 8 36.555 7.818 -1.205
46 HG2 PRO 8 HG2 PRO 8 34.926 8.271 1.318
47 HG3 PRO 8 HG3 PRO 8 34.799 9.138 -0.247
48 HD2 PRO 8 HD2 PRO 8 33.144 7.089 0.354
49 HD3 PRO 8 HD3 PRO 8 33.791 7.274 -1.300
50 H ARG 9 H ARG 9 34.837 5.608 2.166
51 HA ARG 9 HA ARG 9 36.955 4.373 3.786
52 HB2 ARG 9 HB2 ARG 9 36.782 5.869 5.649
53 HB3 ARG 9 HB3 ARG 9 37.136 6.838 4.227
54 HG2 ARG 9 HG2 ARG 9 34.557 7.248 4.100
55 HG3 ARG 9 HG3 ARG 9 34.510 6.614 5.748
56 HD2 ARG 9 HD2 ARG 9 36.078 9.018 4.739
57 HD3 ARG 9 HD3 ARG 9 34.610 9.064 5.727
58 HE ARG 9 HE ARG 9 36.391 7.575 7.249
59 HH11 ARG 9 HH11 ARG 9 36.439 10.836 5.966
60 HH12 ARG 9 HH12 ARG 9 37.536 11.403 7.195
61 HH21 ARG 9 HH21 ARG 9 37.811 8.362 8.781
62 HH22 ARG 9 HH22 ARG 9 38.280 10.037 8.747
63 H GLY 10 H GLY 10 36.080 3.423 5.789
64 HA2 GLY 10 HA2 GLY 10 33.285 3.265 6.348
65 HA3 GLY 10 HA3 GLY 10 33.764 1.835 5.428
66 H ASP 11 H ASP 11 32.767 1.912 8.089
67 HA ASP 11 HA ASP 11 34.682 0.305 9.552
68 HB2 ASP 11 HB2 ASP 11 34.885 1.739 11.504
69 HB3 ASP 11 HB3 ASP 11 35.538 2.560 10.106
70 H LYS 12 H LYS 12 33.652 -0.007 11.922
71 HA LYS 12 HA LYS 12 30.694 0.083 11.871
72 HB2 LYS 12 HB2 LYS 12 31.797 -2.266 11.136
73 HB3 LYS 12 HB3 LYS 12 32.014 -2.448 12.866
74 HG2 LYS 12 HG2 LYS 12 29.941 -3.478 12.466
75 HG3 LYS 12 HG3 LYS 12 29.484 -1.894 13.078
76 HD2 LYS 12 HD2 LYS 12 28.058 -2.327 11.222
77 HD3 LYS 12 HD3 LYS 12 29.233 -1.147 10.630
78 HE2 LYS 12 HE2 LYS 12 30.564 -3.051 9.640
79 HE3 LYS 12 HE3 LYS 12 29.318 -4.171 10.197
80 HZ1 LYS 12 HZ1 LYS 12 28.897 -1.972 8.242
81 HZ2 LYS 12 HZ2 LYS 12 27.725 -2.989 8.766
82 HZ3 LYS 12 HZ3 LYS 12 28.971 -3.563 7.883
83 H ALA 13 H ALA 13 29.808 0.544 13.784
84 HA ALA 13 HA ALA 13 31.453 0.596 16.271
85 HB1 ALA 13 HB1 ALA 13 29.836 2.919 15.135
86 HB2 ALA 13 HB2 ALA 13 30.742 2.910 16.666
87 HB3 ALA 13 HB3 ALA 13 31.609 2.783 15.129
88 H ALA 14 H ALA 14 29.325 -1.223 15.392
89 HA ALA 14 HA ALA 14 27.004 -0.604 17.113
90 HB1 ALA 14 HB1 ALA 14 26.704 -1.430 14.796
91 HB2 ALA 14 HB2 ALA 14 27.578 -2.923 15.216
92 HB3 ALA 14 HB3 ALA 14 26.019 -2.550 15.986
93 H TYR 15 H TYR 15 29.918 -1.646 17.957
94 HA TYR 15 HA TYR 15 29.466 -4.160 19.284
95 HB2 TYR 15 HB2 TYR 15 31.620 -3.328 18.285
96 HB3 TYR 15 HB3 TYR 15 31.768 -2.207 19.626
97 HD1 TYR 15 HD1 TYR 15 31.440 -5.844 18.758
98 HD2 TYR 15 HD2 TYR 15 32.786 -2.960 21.674
99 HE1 TYR 15 HE1 TYR 15 32.525 -7.669 20.069
100 HE2 TYR 15 HE2 TYR 15 33.867 -4.783 22.979
101 HH TYR 15 HH TYR 15 34.285 -7.031 23.127
102 H ASP 16 H ASP 16 27.446 -3.128 20.322
103 HA ASP 16 HA ASP 16 26.251 -2.462 22.127
104 HB2 ASP 16 HB2 ASP 16 28.570 -3.712 23.639
105 HB3 ASP 16 HB3 ASP 16 26.965 -3.397 24.295
106 H ILE 17 H ILE 17 28.032 -0.433 21.088
107 HA ILE 17 HA ILE 17 28.398 1.369 23.446
108 HB ILE 17 HB ILE 17 30.479 0.740 22.432
109 HG12 ILE 17 HG12 ILE 17 29.796 3.623 21.693
110 HG13 ILE 17 HG13 ILE 17 30.215 3.039 23.311
111 HG21 ILE 17 HG21 ILE 17 29.688 0.165 20.130
112 HG22 ILE 17 HG22 ILE 17 29.507 1.894 19.786
113 HG23 ILE 17 HG23 ILE 17 31.099 1.197 20.117
114 HD11 ILE 17 HD11 ILE 17 32.018 3.146 20.860
115 HD12 ILE 17 HD12 ILE 17 32.140 4.084 22.353
116 HD13 ILE 17 HD13 ILE 17 32.463 2.336 22.388
117 H LEU 18 H LEU 18 26.849 1.081 20.325
118 HA LEU 18 HA LEU 18 25.393 3.630 20.741
119 HB2 LEU 18 HB2 LEU 18 26.596 2.697 18.107
120 HB3 LEU 18 HB3 LEU 18 25.583 4.104 18.325
121 HG LEU 18 HG LEU 18 28.367 3.817 19.505
122 HD11 LEU 18 HD11 LEU 18 29.114 5.301 17.752
123 HD12 LEU 18 HD12 LEU 18 27.487 5.431 17.096
124 HD13 LEU 18 HD13 LEU 18 28.356 3.898 17.012
125 HD21 LEU 18 HD21 LEU 18 28.222 6.304 19.744
126 HD22 LEU 18 HD22 LEU 18 27.086 5.422 20.779
127 HD23 LEU 18 HD23 LEU 18 26.487 6.214 19.282
128 H ARG 19 H ARG 19 23.354 3.677 19.582
129 HA ARG 19 HA ARG 19 22.312 1.051 18.545
130 HB2 ARG 19 HB2 ARG 19 21.487 1.566 20.826
131 HB3 ARG 19 HB3 ARG 19 20.831 3.096 20.267
132 HG2 ARG 19 HG2 ARG 19 19.945 0.474 18.997
133 HG3 ARG 19 HG3 ARG 19 19.304 0.979 20.561
134 HD2 ARG 19 HD2 ARG 19 18.462 3.068 19.614
135 HD3 ARG 19 HD3 ARG 19 19.079 2.630 18.016
136 HE ARG 19 HE ARG 19 17.365 0.550 18.994
137 HH11 ARG 19 HH11 ARG 19 17.123 3.774 17.667
138 HH12 ARG 19 HH12 ARG 19 15.631 3.448 16.837
139 HH21 ARG 19 HH21 ARG 19 15.354 0.233 18.079
140 HH22 ARG 19 HH22 ARG 19 14.578 1.537 17.225
141 H ARG 20 H ARG 20 21.317 1.133 16.632
142 HA ARG 20 HA ARG 20 20.969 3.765 15.259
143 HB2 ARG 20 HB2 ARG 20 22.585 1.883 14.371
144 HB3 ARG 20 HB3 ARG 20 21.097 1.080 13.869
145 HG2 ARG 20 HG2 ARG 20 20.576 3.454 12.745
146 HG3 ARG 20 HG3 ARG 20 22.310 3.683 12.906
147 HD2 ARG 20 HD2 ARG 20 20.842 1.510 11.364
148 HD3 ARG 20 HD3 ARG 20 21.752 2.875 10.698
149 HE ARG 20 HE ARG 20 23.415 1.177 12.370
150 HH11 ARG 20 HH11 ARG 20 22.107 1.393 9.123
151 HH12 ARG 20 HH12 ARG 20 23.308 0.316 8.468
152 HH21 ARG 20 HH21 ARG 20 24.897 -0.227 11.470
153 HH22 ARG 20 HH22 ARG 20 24.835 -0.573 9.766
154 H CYS 21 H CYS 21 19.093 4.223 14.169
155 HA CYS 21 HA CYS 21 16.684 2.630 14.905
156 HB2 CYS 21 HB2 CYS 21 17.148 5.101 15.578
157 HB3 CYS 21 HB3 CYS 21 16.828 5.470 13.882
158 H SER 22 H SER 22 15.589 1.561 13.392
159 HA SER 22 HA SER 22 16.698 1.100 10.835
160 HB2 SER 22 HB2 SER 22 14.756 -0.396 10.507
161 HB3 SER 22 HB3 SER 22 15.546 -0.622 12.075
162 HG SER 22 HG SER 22 13.249 -0.532 12.249
163 H GLN 23 H GLN 23 14.549 3.610 11.652
164 HA GLN 23 HA GLN 23 13.814 4.040 8.775
165 HB2 GLN 23 HB2 GLN 23 12.352 4.861 11.310
166 HB3 GLN 23 HB3 GLN 23 11.926 5.397 9.688
167 HG2 GLN 23 HG2 GLN 23 11.575 3.023 8.996
168 HG3 GLN 23 HG3 GLN 23 11.926 2.512 10.648
169 HE21 GLN 23 HE21 GLN 23 9.793 1.564 10.884
170 HE22 GLN 23 HE22 GLN 23 8.384 2.601 11.049
171 H CYS 24 H CYS 24 16.003 5.113 11.020
172 HA CYS 24 HA CYS 24 15.923 7.945 10.071
173 HB2 CYS 24 HB2 CYS 24 16.974 7.186 12.748
174 HB3 CYS 24 HB3 CYS 24 16.318 8.697 12.205
175 H GLY 25 H GLY 25 18.032 5.214 10.882
176 HA2 GLY 25 HA2 GLY 25 20.119 4.688 10.100
177 HA3 GLY 25 HA3 GLY 25 20.128 6.165 9.141
178 H ILE 26 H ILE 26 19.720 7.708 11.826
179 HA ILE 26 HA ILE 26 22.449 8.257 12.482
180 HB ILE 26 HB ILE 26 20.636 9.874 12.724
181 HG12 ILE 26 HG12 ILE 26 21.050 10.833 14.931
182 HG13 ILE 26 HG13 ILE 26 21.832 9.363 15.472
183 HG21 ILE 26 HG21 ILE 26 18.979 9.771 14.555
184 HG22 ILE 26 HG22 ILE 26 18.785 8.404 13.451
185 HG23 ILE 26 HG23 ILE 26 19.575 8.161 15.027
186 HD11 ILE 26 HD11 ILE 26 22.799 11.158 13.202
187 HD12 ILE 26 HD12 ILE 26 23.456 11.121 14.847
188 HD13 ILE 26 HD13 ILE 26 23.641 9.713 13.795
189 H LEU 27 H LEU 27 23.585 7.894 14.452
190 HA LEU 27 HA LEU 27 22.813 5.482 16.040
191 HB2 LEU 27 HB2 LEU 27 25.594 6.438 15.200
192 HB3 LEU 27 HB3 LEU 27 25.260 5.240 16.433
193 HG LEU 27 HG LEU 27 24.033 3.891 14.598
194 HD11 LEU 27 HD11 LEU 27 24.061 5.611 12.797
195 HD12 LEU 27 HD12 LEU 27 24.991 4.194 12.325
196 HD13 LEU 27 HD13 LEU 27 25.830 5.664 12.867
197 HD21 LEU 27 HD21 LEU 27 27.059 4.274 14.545
198 HD22 LEU 27 HD22 LEU 27 26.184 2.860 13.912
199 HD23 LEU 27 HD23 LEU 27 26.154 3.210 15.646
200 H LEU 28 H LEU 28 22.562 5.855 18.168
201 HA LEU 28 HA LEU 28 23.745 8.319 19.410
202 HB2 LEU 28 HB2 LEU 28 21.077 6.997 20.059
203 HB3 LEU 28 HB3 LEU 28 21.803 8.320 20.936
204 HG LEU 28 HG LEU 28 20.138 9.314 19.750
205 HD11 LEU 28 HD11 LEU 28 22.326 10.503 19.499
206 HD12 LEU 28 HD12 LEU 28 21.133 10.876 18.241
207 HD13 LEU 28 HD13 LEU 28 22.480 9.788 17.885
208 HD21 LEU 28 HD21 LEU 28 19.613 9.069 17.409
209 HD22 LEU 28 HD22 LEU 28 19.557 7.499 18.231
210 HD23 LEU 28 HD23 LEU 28 20.934 7.906 17.186
211 HA PRO 29 HA PRO 29 25.582 5.404 22.223
212 HB2 PRO 29 HB2 PRO 29 26.279 7.010 24.350
213 HB3 PRO 29 HB3 PRO 29 27.096 7.022 22.763
214 HG2 PRO 29 HG2 PRO 29 24.945 8.913 23.757
215 HG3 PRO 29 HG3 PRO 29 26.473 9.311 22.915
216 HD2 PRO 29 HD2 PRO 29 24.092 9.150 21.596
217 HD3 PRO 29 HD3 PRO 29 25.621 8.627 20.837
218 H LEU 30 H LEU 30 23.717 7.545 24.408
219 HA LEU 30 HA LEU 30 21.812 5.519 25.166
220 HB2 LEU 30 HB2 LEU 30 24.390 5.483 26.524
221 HB3 LEU 30 HB3 LEU 30 23.150 5.924 27.682
222 HG LEU 30 HG LEU 30 22.879 3.484 25.880
223 HD11 LEU 30 HD11 LEU 30 23.610 2.167 27.816
224 HD12 LEU 30 HD12 LEU 30 23.958 3.660 28.722
225 HD13 LEU 30 HD13 LEU 30 24.891 3.253 27.262
226 HD21 LEU 30 HD21 LEU 30 21.246 2.771 27.562
227 HD22 LEU 30 HD22 LEU 30 20.768 4.338 26.889
228 HD23 LEU 30 HD23 LEU 30 21.520 4.257 28.499
229 HA PRO 31 HA PRO 31 20.917 9.336 27.867
230 HB2 PRO 31 HB2 PRO 31 22.531 11.577 27.811
231 HB3 PRO 31 HB3 PRO 31 22.722 10.218 28.959
232 HG2 PRO 31 HG2 PRO 31 24.217 10.691 26.365
233 HG3 PRO 31 HG3 PRO 31 24.885 10.245 27.967
234 HD2 PRO 31 HD2 PRO 31 24.462 8.380 26.058
235 HD3 PRO 31 HD3 PRO 31 24.124 8.024 27.774
236 H ILE 32 H ILE 32 22.548 10.147 24.797
237 HA ILE 32 HA ILE 32 20.601 12.144 24.000
238 HB ILE 32 HB ILE 32 22.560 10.650 22.225
239 HG12 ILE 32 HG12 ILE 32 23.003 13.212 23.811
240 HG13 ILE 32 HG13 ILE 32 23.766 11.662 24.133
241 HG21 ILE 32 HG21 ILE 32 22.385 12.680 20.785
242 HG22 ILE 32 HG22 ILE 32 20.806 11.958 20.999
243 HG23 ILE 32 HG23 ILE 32 21.246 13.397 21.938
244 HD11 ILE 32 HD11 ILE 32 25.394 12.990 23.030
245 HD12 ILE 32 HD12 ILE 32 24.872 11.732 21.890
246 HD13 ILE 32 HD13 ILE 32 24.292 13.415 21.711
247 H LEU 33 H LEU 33 20.787 8.627 23.645
248 HA LEU 33 HA LEU 33 18.973 8.279 21.504
249 HB2 LEU 33 HB2 LEU 33 20.430 6.494 22.439
250 HB3 LEU 33 HB3 LEU 33 19.466 6.489 23.913
251 HG LEU 33 HG LEU 33 17.485 5.716 22.636
252 HD11 LEU 33 HD11 LEU 33 18.145 6.631 20.372
253 HD12 LEU 33 HD12 LEU 33 17.644 4.944 20.367
254 HD13 LEU 33 HD13 LEU 33 19.377 5.355 20.278
255 HD21 LEU 33 HD21 LEU 33 18.932 4.092 23.729
256 HD22 LEU 33 HD22 LEU 33 19.986 4.025 22.300
257 HD23 LEU 33 HD23 LEU 33 18.307 3.432 22.209
258 H ASN 34 H ASN 34 18.288 9.104 24.863
259 HA ASN 34 HA ASN 34 15.551 8.432 25.038
260 HB2 ASN 34 HB2 ASN 34 17.091 10.802 26.185
261 HB3 ASN 34 HB3 ASN 34 15.460 10.358 26.673
262 HD21 ASN 34 HD21 ASN 34 18.301 10.316 27.998
263 HD22 ASN 34 HD22 ASN 34 18.246 8.762 28.823
264 H GLN 35 H GLN 35 16.972 11.448 23.623
265 HA GLN 35 HA GLN 35 14.392 12.613 23.088
266 HB2 GLN 35 HB2 GLN 35 15.498 14.392 22.163
267 HB3 GLN 35 HB3 GLN 35 16.696 13.759 23.283
268 HG2 GLN 35 HG2 GLN 35 17.711 12.542 21.215
269 HG3 GLN 35 HG3 GLN 35 16.618 13.511 20.246
270 HE21 GLN 35 HE21 GLN 35 18.838 14.129 19.307
271 HE22 GLN 35 HE22 GLN 35 19.632 15.497 20.075
272 H HIS 36 H HIS 36 16.505 10.480 21.216
273 HA HIS 36 HA HIS 36 15.007 10.630 18.748
274 HB2 HIS 36 HB2 HIS 36 17.423 9.836 19.075
275 HB3 HIS 36 HB3 HIS 36 16.747 8.317 19.686
276 HD1 HIS 36 HD1 HIS 36 17.265 10.274 16.480
277 HD2 HIS 36 HD2 HIS 36 15.221 6.856 17.855
278 HE1 HIS 36 HE1 HIS 36 16.466 9.067 14.402
279 H GLN 37 H GLN 37 14.934 8.389 21.563
280 HA GLN 37 HA GLN 37 13.039 6.573 20.532
281 HB2 GLN 37 HB2 GLN 37 14.537 6.505 22.705
282 HB3 GLN 37 HB3 GLN 37 13.183 7.315 23.469
283 HG2 GLN 37 HG2 GLN 37 12.533 5.179 23.898
284 HG3 GLN 37 HG3 GLN 37 11.831 5.262 22.289
285 HE21 GLN 37 HE21 GLN 37 13.757 4.670 20.467
286 HE22 GLN 37 HE22 GLN 37 14.626 3.218 20.924
287 H GLU 38 H GLU 38 12.450 9.523 22.528
288 HA GLU 38 HA GLU 38 9.577 9.306 22.413
289 HB2 GLU 38 HB2 GLU 38 11.341 11.746 22.859
290 HB3 GLU 38 HB3 GLU 38 9.581 11.695 23.052
291 HG2 GLU 38 HG2 GLU 38 9.922 9.774 24.711
292 HG3 GLU 38 HG3 GLU 38 11.644 10.170 24.693
293 H LYS 39 H LYS 39 11.898 10.997 20.225
294 HA LYS 39 HA LYS 39 9.878 12.208 18.606
295 HB2 LYS 39 HB2 LYS 39 12.157 13.007 18.521
296 HB3 LYS 39 HB3 LYS 39 12.752 11.436 18.000
297 HG2 LYS 39 HG2 LYS 39 12.724 12.971 16.132
298 HG3 LYS 39 HG3 LYS 39 11.597 11.656 15.849
299 HD2 LYS 39 HD2 LYS 39 9.750 13.287 16.709
300 HD3 LYS 39 HD3 LYS 39 10.964 14.552 16.545
301 HE2 LYS 39 HE2 LYS 39 9.990 12.666 14.354
302 HE3 LYS 39 HE3 LYS 39 9.439 14.319 14.584
303 HZ1 LYS 39 HZ1 LYS 39 11.143 14.214 12.872
304 HZ2 LYS 39 HZ2 LYS 39 12.228 13.557 13.900
305 HZ3 LYS 39 HZ3 LYS 39 11.698 15.091 14.133
306 H CYS 40 H CYS 40 11.621 9.083 18.040
307 HA CYS 40 HA CYS 40 10.176 8.350 15.712
308 HB2 CYS 40 HB2 CYS 40 11.706 6.843 17.832
309 HB3 CYS 40 HB3 CYS 40 10.771 5.955 16.632
310 H ARG 41 H ARG 41 9.409 7.649 19.163
311 HA ARG 41 HA ARG 41 6.966 6.219 18.714
312 HB2 ARG 41 HB2 ARG 41 7.986 7.946 21.001
313 HB3 ARG 41 HB3 ARG 41 6.403 7.199 21.066
314 HG2 ARG 41 HG2 ARG 41 8.957 5.591 20.642
315 HG3 ARG 41 HG3 ARG 41 8.258 5.950 22.221
316 HD2 ARG 41 HD2 ARG 41 6.067 4.896 21.306
317 HD3 ARG 41 HD3 ARG 41 7.048 4.302 19.970
318 HE ARG 41 HE ARG 41 8.008 2.719 21.366
319 HH11 ARG 41 HH11 ARG 41 6.332 5.006 23.438
320 HH12 ARG 41 HH12 ARG 41 6.562 4.023 24.856
321 HH21 ARG 41 HH21 ARG 41 8.255 1.520 23.224
322 HH22 ARG 41 HH22 ARG 41 7.620 2.111 24.733
323 H TRP 42 H TRP 42 7.418 9.751 19.254
324 HA TRP 42 HA TRP 42 4.654 10.387 19.012
325 HB2 TRP 42 HB2 TRP 42 6.504 11.845 19.935
326 HB3 TRP 42 HB3 TRP 42 6.974 12.206 18.278
327 HD1 TRP 42 HD1 TRP 42 4.423 12.970 20.937
328 HE1 TRP 42 HE1 TRP 42 2.815 14.828 20.197
329 HE3 TRP 42 HE3 TRP 42 5.831 13.363 16.015
330 HZ2 TRP 42 HZ2 TRP 42 2.158 16.238 17.774
331 HZ3 TRP 42 HZ3 TRP 42 4.682 14.976 14.514
332 HH2 TRP 42 HH2 TRP 42 2.838 16.402 15.374
333 H LEU 43 H LEU 43 7.228 10.417 16.494
334 HA LEU 43 HA LEU 43 5.545 11.332 14.399
335 HB2 LEU 43 HB2 LEU 43 8.103 11.313 14.548
336 HB3 LEU 43 HB3 LEU 43 8.037 9.607 14.134
337 HG LEU 43 HG LEU 43 6.827 10.275 11.993
338 HD11 LEU 43 HD11 LEU 43 6.015 12.539 12.637
339 HD12 LEU 43 HD12 LEU 43 7.116 12.662 11.252
340 HD13 LEU 43 HD13 LEU 43 7.700 13.077 12.891
341 HD21 LEU 43 HD21 LEU 43 9.606 11.428 12.445
342 HD22 LEU 43 HD22 LEU 43 8.887 11.064 10.876
343 HD23 LEU 43 HD23 LEU 43 9.236 9.760 12.005
344 H ALA 44 H ALA 44 6.414 7.962 15.347
345 HA ALA 44 HA ALA 44 4.886 6.689 13.281
346 HB1 ALA 44 HB1 ALA 44 5.670 5.711 16.068
347 HB2 ALA 44 HB2 ALA 44 5.106 4.688 14.728
348 HB3 ALA 44 HB3 ALA 44 6.650 5.551 14.590
349 H SER 45 H SER 45 3.973 7.827 16.551
350 HA SER 45 HA SER 45 1.310 6.737 16.539
351 HB2 SER 45 HB2 SER 45 2.577 7.428 18.567
352 HB3 SER 45 HB3 SER 45 2.423 9.120 18.070
353 HG SER 45 HG SER 45 0.365 7.289 18.812
354 H SER 46 H SER 46 2.547 10.035 15.662
355 HA SER 46 HA SER 46 -0.072 11.074 15.061
356 HB2 SER 46 HB2 SER 46 1.067 13.015 14.228
357 HB3 SER 46 HB3 SER 46 1.845 12.481 15.725
358 HG SER 46 HG SER 46 3.388 12.984 14.150
359 H LYS 47 H LYS 47 2.419 9.560 13.029
360 HA LYS 47 HA LYS 47 0.945 9.887 10.540
361 HB2 LYS 47 HB2 LYS 47 3.492 9.704 10.879
362 HB3 LYS 47 HB3 LYS 47 3.250 7.982 11.111
363 HG2 LYS 47 HG2 LYS 47 3.919 8.321 8.855
364 HG3 LYS 47 HG3 LYS 47 2.203 7.923 8.780
365 HD2 LYS 47 HD2 LYS 47 1.639 10.313 8.454
366 HD3 LYS 47 HD3 LYS 47 3.319 10.763 8.744
367 HE2 LYS 47 HE2 LYS 47 2.982 10.868 6.397
368 HE3 LYS 47 HE3 LYS 47 4.003 9.470 6.720
369 HZ1 LYS 47 HZ1 LYS 47 1.077 9.369 6.189
370 HZ2 LYS 47 HZ2 LYS 47 2.023 8.059 6.466
371 HZ3 LYS 47 HZ3 LYS 47 2.241 8.960 5.123
372 H GLY 48 H GLY 48 -0.966 9.028 11.939
373 HA2 GLY 48 HA2 GLY 48 -1.525 6.379 12.571
374 HA3 GLY 48 HA3 GLY 48 -2.724 7.560 12.069
375 H LYS 49 H LYS 49 -0.709 4.911 11.063
376 HA LYS 49 HA LYS 49 -1.272 4.896 8.269
377 HB2 LYS 49 HB2 LYS 49 0.579 3.727 9.884
378 HB3 LYS 49 HB3 LYS 49 -0.527 2.375 9.756
379 HG2 LYS 49 HG2 LYS 49 1.140 2.079 8.100
380 HG3 LYS 49 HG3 LYS 49 -0.301 2.584 7.209
381 HD2 LYS 49 HD2 LYS 49 0.606 4.877 6.996
382 HD3 LYS 49 HD3 LYS 49 1.943 4.461 8.068
383 HE2 LYS 49 HE2 LYS 49 2.833 4.429 5.880
384 HE3 LYS 49 HE3 LYS 49 2.723 2.752 6.407
385 HZ1 LYS 49 HZ1 LYS 49 0.710 2.528 5.044
386 HZ2 LYS 49 HZ2 LYS 49 1.934 3.069 4.120
387 HZ3 LYS 49 HZ3 LYS 49 0.777 4.108 4.604
388 H GLN 50 H GLN 50 -2.244 3.078 7.086
389 HA GLN 50 HA GLN 50 -4.772 2.047 8.301
390 HB2 GLN 50 HB2 GLN 50 -5.938 2.513 6.254
391 HB3 GLN 50 HB3 GLN 50 -5.168 3.958 6.868
392 HG2 GLN 50 HG2 GLN 50 -4.795 4.133 4.595
393 HG3 GLN 50 HG3 GLN 50 -3.263 3.503 5.161
394 HE21 GLN 50 HE21 GLN 50 -2.477 1.792 3.865
395 HE22 GLN 50 HE22 GLN 50 -3.522 0.754 2.910
396 H VAL 51 H VAL 51 -2.004 0.792 7.760
397 HA VAL 51 HA VAL 51 -2.304 -1.352 5.879
398 HB VAL 51 HB VAL 51 -0.506 -2.475 7.217
399 HG11 VAL 51 HG11 VAL 51 0.029 0.415 6.448
400 HG12 VAL 51 HG12 VAL 51 1.247 -0.863 6.656
401 HG13 VAL 51 HG13 VAL 51 0.042 -0.990 5.364
402 HG21 VAL 51 HG21 VAL 51 -1.045 -1.575 9.475
403 HG22 VAL 51 HG22 VAL 51 0.636 -1.295 9.008
404 HG23 VAL 51 HG23 VAL 51 -0.525 0.039 8.944
405 H ARG 52 H ARG 52 -2.469 -3.616 6.328
406 HA ARG 52 HA ARG 52 -4.805 -4.442 7.743
407 HB2 ARG 52 HB2 ARG 52 -2.406 -6.079 6.802
408 HB3 ARG 52 HB3 ARG 52 -3.958 -6.744 7.322
409 HG2 ARG 52 HG2 ARG 52 -5.103 -5.532 5.459
410 HG3 ARG 52 HG3 ARG 52 -3.550 -4.870 4.945
411 HD2 ARG 52 HD2 ARG 52 -3.983 -6.668 3.505
412 HD3 ARG 52 HD3 ARG 52 -2.709 -7.218 4.603
413 HE ARG 52 HE ARG 52 -5.118 -8.047 5.774
414 HH11 ARG 52 HH11 ARG 52 -3.531 -8.713 2.721
415 HH12 ARG 52 HH12 ARG 52 -4.315 -10.260 2.546
416 HH21 ARG 52 HH21 ARG 52 -6.072 -10.038 5.495
417 HH22 ARG 52 HH22 ARG 52 -5.708 -10.986 4.083
418 H ASN 53 H ASN 53 -5.175 -5.226 9.721
419 HA ASN 53 HA ASN 53 -2.967 -5.584 11.690
420 HB2 ASN 53 HB2 ASN 53 -3.649 -3.205 11.747
421 HB3 ASN 53 HB3 ASN 53 -5.327 -3.672 12.014
422 HD21 ASN 53 HD21 ASN 53 -5.916 -4.542 14.108
423 HD22 ASN 53 HD22 ASN 53 -4.834 -4.339 15.482
424 H PHE 54 H PHE 54 -3.332 -7.754 11.878
425 HA PHE 54 HA PHE 54 -5.782 -8.621 13.280
426 HB2 PHE 54 HB2 PHE 54 -6.038 -8.807 10.703
427 HB3 PHE 54 HB3 PHE 54 -4.832 -10.079 10.787
428 HD1 PHE 54 HD1 PHE 54 -8.238 -9.017 11.830
429 HD2 PHE 54 HD2 PHE 54 -5.458 -12.303 11.619
430 HE1 PHE 54 HE1 PHE 54 -10.077 -10.604 12.354
431 HE2 PHE 54 HE2 PHE 54 -7.295 -13.890 12.145
432 HZ PHE 54 HZ PHE 54 -9.605 -13.041 12.510
433 H SER 55 H SER 55 -5.482 -10.446 14.545
434 HA SER 55 HA SER 55 -2.915 -10.868 15.665
435 HB2 SER 55 HB2 SER 55 -5.407 -12.600 15.907
436 HB3 SER 55 HB3 SER 55 -4.013 -12.611 17.003
437 HG SER 55 HG SER 55 -4.458 -10.405 17.507
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 5.574 18.754 8.775
2 H2 GLY 1 H2 GLY 1 4.031 19.208 9.075
3 H3 GLY 1 H3 GLY 1 5.097 19.060 10.309
4 HA2 GLY 1 HA2 GLY 1 4.484 21.388 9.115
5 HA3 GLY 1 HA3 GLY 1 5.960 21.092 10.049
6 H SER 2 H SER 2 7.841 21.376 9.057
7 HA SER 2 HA SER 2 8.106 21.110 6.091
8 HB2 SER 2 HB2 SER 2 9.100 23.440 7.785
9 HB3 SER 2 HB3 SER 2 9.472 23.172 6.075
10 HG SER 2 HG SER 2 7.728 24.643 6.370
11 H GLU 3 H GLU 3 10.222 20.665 5.371
12 HA GLU 3 HA GLU 3 11.946 19.212 7.236
13 HB2 GLU 3 HB2 GLU 3 13.254 18.662 5.280
14 HB3 GLU 3 HB3 GLU 3 11.541 18.384 4.983
15 HG2 GLU 3 HG2 GLU 3 11.460 20.617 3.769
16 HG3 GLU 3 HG3 GLU 3 13.211 20.722 3.961
17 H PHE 4 H PHE 4 14.295 19.574 7.284
18 HA PHE 4 HA PHE 4 15.209 22.403 7.162
19 HB2 PHE 4 HB2 PHE 4 15.464 20.589 9.597
20 HB3 PHE 4 HB3 PHE 4 16.154 22.193 9.435
21 HD1 PHE 4 HD1 PHE 4 14.489 24.181 9.003
22 HD2 PHE 4 HD2 PHE 4 13.345 20.354 10.629
23 HE1 PHE 4 HE1 PHE 4 12.456 25.208 9.996
24 HE2 PHE 4 HE2 PHE 4 11.317 21.385 11.625
25 HZ PHE 4 HZ PHE 4 10.870 23.812 11.309
26 H THR 5 H THR 5 17.640 22.475 7.675
27 HA THR 5 HA THR 5 19.134 20.695 5.995
28 HB THR 5 HB THR 5 19.787 23.015 6.596
29 HG1 THR 5 HG1 THR 5 21.958 21.461 7.325
30 HG21 THR 5 HG21 THR 5 20.833 21.822 9.205
31 HG22 THR 5 HG22 THR 5 19.470 22.952 9.066
32 HG23 THR 5 HG23 THR 5 21.096 23.468 8.595
33 H SER 6 H SER 6 20.767 19.172 6.557
34 HA SER 6 HA SER 6 20.765 17.987 9.264
35 HB2 SER 6 HB2 SER 6 18.964 16.796 8.016
36 HB3 SER 6 HB3 SER 6 20.158 16.308 6.798
37 HG SER 6 HG SER 6 19.818 14.722 8.465
38 H SER 7 H SER 7 22.788 17.779 9.807
39 HA SER 7 HA SER 7 24.942 17.199 7.814
40 HB2 SER 7 HB2 SER 7 24.967 19.447 9.861
41 HB3 SER 7 HB3 SER 7 26.304 18.986 8.788
42 HG SER 7 HG SER 7 25.087 20.752 7.965
43 HA PRO 8 HA PRO 8 25.197 14.796 11.866
44 HB2 PRO 8 HB2 PRO 8 25.050 12.228 10.941
45 HB3 PRO 8 HB3 PRO 8 23.603 13.245 11.214
46 HG2 PRO 8 HG2 PRO 8 25.082 12.792 8.596
47 HG3 PRO 8 HG3 PRO 8 23.323 12.632 8.911
48 HD2 PRO 8 HD2 PRO 8 24.378 14.907 7.863
49 HD3 PRO 8 HD3 PRO 8 23.039 14.961 9.049
50 H ARG 9 H ARG 9 26.844 13.308 12.602
51 HA ARG 9 HA ARG 9 29.522 13.760 11.579
52 HB2 ARG 9 HB2 ARG 9 28.379 11.854 13.671
53 HB3 ARG 9 HB3 ARG 9 30.105 12.017 13.343
54 HG2 ARG 9 HG2 ARG 9 30.069 14.388 13.932
55 HG3 ARG 9 HG3 ARG 9 28.330 14.338 14.237
56 HD2 ARG 9 HD2 ARG 9 30.374 12.652 15.741
57 HD3 ARG 9 HD3 ARG 9 29.785 14.233 16.281
58 HE ARG 9 HE ARG 9 27.563 12.483 15.745
59 HH11 ARG 9 HH11 ARG 9 30.003 13.021 18.196
60 HH12 ARG 9 HH12 ARG 9 28.993 12.395 19.470
61 HH21 ARG 9 HH21 ARG 9 26.331 11.679 17.409
62 HH22 ARG 9 HH22 ARG 9 26.967 11.659 19.026
63 H GLY 10 H GLY 10 31.046 12.030 11.077
64 HA2 GLY 10 HA2 GLY 10 30.215 10.330 8.882
65 HA3 GLY 10 HA3 GLY 10 31.805 10.385 9.635
66 H ASP 11 H ASP 11 31.209 8.009 8.917
67 HA ASP 11 HA ASP 11 29.663 6.295 10.578
68 HB2 ASP 11 HB2 ASP 11 30.539 5.764 8.314
69 HB3 ASP 11 HB3 ASP 11 32.183 5.748 8.959
70 H LYS 12 H LYS 12 30.304 4.761 12.180
71 HA LYS 12 HA LYS 12 32.881 5.201 13.598
72 HB2 LYS 12 HB2 LYS 12 30.909 6.525 14.657
73 HB3 LYS 12 HB3 LYS 12 30.253 4.956 15.107
74 HG2 LYS 12 HG2 LYS 12 31.450 5.613 17.015
75 HG3 LYS 12 HG3 LYS 12 32.583 4.520 16.222
76 HD2 LYS 12 HD2 LYS 12 33.693 6.602 15.191
77 HD3 LYS 12 HD3 LYS 12 32.558 7.572 16.129
78 HE2 LYS 12 HE2 LYS 12 34.480 7.588 17.448
79 HE3 LYS 12 HE3 LYS 12 33.447 6.387 18.224
80 HZ1 LYS 12 HZ1 LYS 12 35.709 5.798 16.375
81 HZ2 LYS 12 HZ2 LYS 12 34.767 4.655 17.075
82 HZ3 LYS 12 HZ3 LYS 12 35.736 5.594 17.989
83 H ALA 13 H ALA 13 33.887 3.395 13.909
84 HA ALA 13 HA ALA 13 32.806 0.833 13.189
85 HB1 ALA 13 HB1 ALA 13 35.524 1.653 14.308
86 HB2 ALA 13 HB2 ALA 13 35.144 0.124 13.484
87 HB3 ALA 13 HB3 ALA 13 35.061 1.649 12.590
88 H ALA 14 H ALA 14 31.258 1.536 15.380
89 HA ALA 14 HA ALA 14 32.331 0.008 17.723
90 HB1 ALA 14 HB1 ALA 14 30.636 1.210 19.019
91 HB2 ALA 14 HB2 ALA 14 31.706 2.329 18.155
92 HB3 ALA 14 HB3 ALA 14 30.066 2.029 17.547
93 H TYR 15 H TYR 15 29.028 0.490 16.366
94 HA TYR 15 HA TYR 15 27.190 -0.799 16.442
95 HB2 TYR 15 HB2 TYR 15 28.895 -1.709 14.541
96 HB3 TYR 15 HB3 TYR 15 28.632 -3.198 15.410
97 HD1 TYR 15 HD1 TYR 15 26.273 -4.173 15.505
98 HD2 TYR 15 HD2 TYR 15 27.219 -0.653 13.195
99 HE1 TYR 15 HE1 TYR 15 24.148 -4.430 14.243
100 HE2 TYR 15 HE2 TYR 15 25.100 -0.932 11.914
101 HH TYR 15 HH TYR 15 22.825 -3.630 12.568
102 H ASP 16 H ASP 16 28.647 -0.896 18.986
103 HA ASP 16 HA ASP 16 27.448 -3.383 20.162
104 HB2 ASP 16 HB2 ASP 16 30.242 -2.265 20.578
105 HB3 ASP 16 HB3 ASP 16 29.452 -3.267 21.785
106 H ILE 17 H ILE 17 29.048 -0.323 21.269
107 HA ILE 17 HA ILE 17 27.081 -0.063 23.430
108 HB ILE 17 HB ILE 17 29.338 0.461 23.884
109 HG12 ILE 17 HG12 ILE 17 27.399 1.734 24.971
110 HG13 ILE 17 HG13 ILE 17 29.047 2.258 25.239
111 HG21 ILE 17 HG21 ILE 17 30.555 2.405 23.008
112 HG22 ILE 17 HG22 ILE 17 30.235 1.213 21.751
113 HG23 ILE 17 HG23 ILE 17 29.271 2.705 21.827
114 HD11 ILE 17 HD11 ILE 17 27.490 4.153 24.948
115 HD12 ILE 17 HD12 ILE 17 28.790 4.166 23.752
116 HD13 ILE 17 HD13 ILE 17 27.158 3.649 23.289
117 H LEU 18 H LEU 18 27.759 1.654 20.366
118 HA LEU 18 HA LEU 18 25.638 3.586 20.620
119 HB2 LEU 18 HB2 LEU 18 26.924 2.400 18.119
120 HB3 LEU 18 HB3 LEU 18 25.883 3.817 18.154
121 HG LEU 18 HG LEU 18 28.643 3.607 19.428
122 HD11 LEU 18 HD11 LEU 18 27.651 5.229 17.041
123 HD12 LEU 18 HD12 LEU 18 28.576 3.709 16.926
124 HD13 LEU 18 HD13 LEU 18 29.313 5.145 17.679
125 HD21 LEU 18 HD21 LEU 18 28.433 6.078 19.730
126 HD22 LEU 18 HD22 LEU 18 27.312 5.159 20.736
127 HD23 LEU 18 HD23 LEU 18 26.720 5.970 19.259
128 H ARG 19 H ARG 19 23.605 3.634 19.725
129 HA ARG 19 HA ARG 19 22.448 1.099 18.619
130 HB2 ARG 19 HB2 ARG 19 21.650 1.535 20.939
131 HB3 ARG 19 HB3 ARG 19 21.125 3.143 20.453
132 HG2 ARG 19 HG2 ARG 19 19.231 1.630 20.620
133 HG3 ARG 19 HG3 ARG 19 19.420 2.163 18.951
134 HD2 ARG 19 HD2 ARG 19 20.493 0.006 18.379
135 HD3 ARG 19 HD3 ARG 19 20.381 -0.508 20.074
136 HE ARG 19 HE ARG 19 17.772 0.132 19.357
137 HH11 ARG 19 HH11 ARG 19 20.109 -2.171 18.117
138 HH12 ARG 19 HH12 ARG 19 18.870 -3.259 17.556
139 HH21 ARG 19 HH21 ARG 19 16.248 -1.320 18.644
140 HH22 ARG 19 HH22 ARG 19 16.747 -2.791 17.861
141 H ARG 20 H ARG 20 21.203 1.309 16.832
142 HA ARG 20 HA ARG 20 20.923 4.020 15.616
143 HB2 ARG 20 HB2 ARG 20 21.589 3.270 13.534
144 HB3 ARG 20 HB3 ARG 20 22.727 2.484 14.629
145 HG2 ARG 20 HG2 ARG 20 21.422 0.361 14.445
146 HG3 ARG 20 HG3 ARG 20 20.313 1.169 13.317
147 HD2 ARG 20 HD2 ARG 20 22.383 1.725 11.889
148 HD3 ARG 20 HD3 ARG 20 23.278 0.623 12.931
149 HE ARG 20 HE ARG 20 22.270 -1.194 11.904
150 HH11 ARG 20 HH11 ARG 20 20.486 1.658 10.877
151 HH12 ARG 20 HH12 ARG 20 19.645 0.786 9.629
152 HH21 ARG 20 HH21 ARG 20 21.133 -2.235 10.327
153 HH22 ARG 20 HH22 ARG 20 19.984 -1.371 9.345
154 H CYS 21 H CYS 21 19.246 4.320 14.123
155 HA CYS 21 HA CYS 21 16.753 2.850 14.832
156 HB2 CYS 21 HB2 CYS 21 17.019 5.314 15.194
157 HB3 CYS 21 HB3 CYS 21 17.195 5.507 13.442
158 H SER 22 H SER 22 15.971 1.417 13.429
159 HA SER 22 HA SER 22 17.059 0.830 10.859
160 HB2 SER 22 HB2 SER 22 14.382 0.004 12.044
161 HB3 SER 22 HB3 SER 22 15.203 -0.778 10.683
162 HG SER 22 HG SER 22 16.863 -1.410 12.058
163 H GLN 23 H GLN 23 15.064 3.404 11.600
164 HA GLN 23 HA GLN 23 14.064 3.639 8.780
165 HB2 GLN 23 HB2 GLN 23 12.266 3.261 10.430
166 HB3 GLN 23 HB3 GLN 23 12.816 4.660 11.358
167 HG2 GLN 23 HG2 GLN 23 12.301 6.132 9.397
168 HG3 GLN 23 HG3 GLN 23 11.733 4.714 8.502
169 HE21 GLN 23 HE21 GLN 23 11.164 6.485 11.621
170 HE22 GLN 23 HE22 GLN 23 9.439 6.161 11.634
171 H CYS 24 H CYS 24 15.295 5.498 11.639
172 HA CYS 24 HA CYS 24 15.565 7.905 10.048
173 HB2 CYS 24 HB2 CYS 24 16.647 7.426 12.827
174 HB3 CYS 24 HB3 CYS 24 16.211 8.949 12.072
175 H GLY 25 H GLY 25 17.791 5.317 10.938
176 HA2 GLY 25 HA2 GLY 25 19.863 4.822 10.086
177 HA3 GLY 25 HA3 GLY 25 19.837 6.312 9.150
178 H ILE 26 H ILE 26 19.448 7.752 11.918
179 HA ILE 26 HA ILE 26 22.182 8.425 12.447
180 HB ILE 26 HB ILE 26 20.237 9.904 12.735
181 HG12 ILE 26 HG12 ILE 26 21.779 9.639 15.344
182 HG13 ILE 26 HG13 ILE 26 22.415 10.363 13.862
183 HG21 ILE 26 HG21 ILE 26 18.742 9.762 14.625
184 HG22 ILE 26 HG22 ILE 26 18.670 8.234 13.753
185 HG23 ILE 26 HG23 ILE 26 19.584 8.334 15.263
186 HD11 ILE 26 HD11 ILE 26 20.550 12.053 13.958
187 HD12 ILE 26 HD12 ILE 26 20.089 11.378 15.543
188 HD13 ILE 26 HD13 ILE 26 21.679 12.119 15.325
189 H LEU 27 H LEU 27 23.343 8.201 14.487
190 HA LEU 27 HA LEU 27 22.793 5.711 16.041
191 HB2 LEU 27 HB2 LEU 27 25.510 6.784 15.139
192 HB3 LEU 27 HB3 LEU 27 25.244 5.512 16.316
193 HG LEU 27 HG LEU 27 23.937 4.305 14.388
194 HD11 LEU 27 HD11 LEU 27 24.932 4.707 12.154
195 HD12 LEU 27 HD12 LEU 27 25.809 6.117 12.795
196 HD13 LEU 27 HD13 LEU 27 24.038 6.119 12.702
197 HD21 LEU 27 HD21 LEU 27 26.974 4.549 14.389
198 HD22 LEU 27 HD22 LEU 27 26.036 3.223 13.665
199 HD23 LEU 27 HD23 LEU 27 26.004 3.465 15.416
200 H LEU 28 H LEU 28 22.801 5.951 18.204
201 HA LEU 28 HA LEU 28 23.886 8.446 19.460
202 HB2 LEU 28 HB2 LEU 28 21.278 7.019 20.139
203 HB3 LEU 28 HB3 LEU 28 21.984 8.312 21.065
204 HG LEU 28 HG LEU 28 20.230 9.284 19.969
205 HD11 LEU 28 HD11 LEU 28 22.521 10.029 18.137
206 HD12 LEU 28 HD12 LEU 28 22.357 10.595 19.808
207 HD13 LEU 28 HD13 LEU 28 21.127 11.013 18.597
208 HD21 LEU 28 HD21 LEU 28 19.791 7.519 18.286
209 HD22 LEU 28 HD22 LEU 28 21.067 8.206 17.266
210 HD23 LEU 28 HD23 LEU 28 19.637 9.166 17.659
211 HA PRO 29 HA PRO 29 25.827 5.531 22.206
212 HB2 PRO 29 HB2 PRO 29 26.363 7.042 24.434
213 HB3 PRO 29 HB3 PRO 29 27.208 7.225 22.872
214 HG2 PRO 29 HG2 PRO 29 24.900 8.873 23.936
215 HG3 PRO 29 HG3 PRO 29 26.409 9.442 23.163
216 HD2 PRO 29 HD2 PRO 29 24.059 9.184 21.789
217 HD3 PRO 29 HD3 PRO 29 25.641 8.858 21.022
218 H LEU 30 H LEU 30 23.778 7.452 24.443
219 HA LEU 30 HA LEU 30 21.951 5.287 25.020
220 HB2 LEU 30 HB2 LEU 30 23.766 4.298 26.186
221 HB3 LEU 30 HB3 LEU 30 24.248 5.803 26.934
222 HG LEU 30 HG LEU 30 22.204 5.755 28.357
223 HD11 LEU 30 HD11 LEU 30 20.655 4.481 26.912
224 HD12 LEU 30 HD12 LEU 30 20.853 3.682 28.472
225 HD13 LEU 30 HD13 LEU 30 21.696 3.048 27.044
226 HD21 LEU 30 HD21 LEU 30 23.800 3.157 28.417
227 HD22 LEU 30 HD22 LEU 30 22.882 3.869 29.768
228 HD23 LEU 30 HD23 LEU 30 24.307 4.711 29.128
229 HA PRO 31 HA PRO 31 20.610 8.876 27.763
230 HB2 PRO 31 HB2 PRO 31 22.039 11.223 28.036
231 HB3 PRO 31 HB3 PRO 31 22.206 9.793 29.095
232 HG2 PRO 31 HG2 PRO 31 23.937 10.582 26.746
233 HG3 PRO 31 HG3 PRO 31 24.450 10.007 28.358
234 HD2 PRO 31 HD2 PRO 31 24.349 8.333 26.229
235 HD3 PRO 31 HD3 PRO 31 23.885 7.791 27.870
236 H ILE 32 H ILE 32 22.366 10.124 24.873
237 HA ILE 32 HA ILE 32 20.257 11.996 24.175
238 HB ILE 32 HB ILE 32 22.469 10.899 22.398
239 HG12 ILE 32 HG12 ILE 32 23.159 13.516 23.033
240 HG13 ILE 32 HG13 ILE 32 22.435 13.001 24.543
241 HG21 ILE 32 HG21 ILE 32 22.103 12.983 21.091
242 HG22 ILE 32 HG22 ILE 32 20.682 11.952 21.067
243 HG23 ILE 32 HG23 ILE 32 20.711 13.380 22.123
244 HD11 ILE 32 HD11 ILE 32 24.762 11.694 23.060
245 HD12 ILE 32 HD12 ILE 32 24.841 12.617 24.574
246 HD13 ILE 32 HD13 ILE 32 24.040 11.035 24.541
247 H LEU 33 H LEU 33 20.647 8.552 23.627
248 HA LEU 33 HA LEU 33 18.851 8.196 21.448
249 HB2 LEU 33 HB2 LEU 33 20.393 6.453 22.461
250 HB3 LEU 33 HB3 LEU 33 19.283 6.366 23.828
251 HG LEU 33 HG LEU 33 17.461 5.628 22.260
252 HD11 LEU 33 HD11 LEU 33 18.096 4.721 20.064
253 HD12 LEU 33 HD12 LEU 33 19.755 5.297 20.280
254 HD13 LEU 33 HD13 LEU 33 18.420 6.457 20.112
255 HD21 LEU 33 HD21 LEU 33 18.707 4.045 23.633
256 HD22 LEU 33 HD22 LEU 33 19.960 3.911 22.382
257 HD23 LEU 33 HD23 LEU 33 18.302 3.338 22.063
258 H ASN 34 H ASN 34 18.176 8.960 24.841
259 HA ASN 34 HA ASN 34 15.426 8.315 24.990
260 HB2 ASN 34 HB2 ASN 34 16.850 9.083 26.888
261 HB3 ASN 34 HB3 ASN 34 16.944 10.687 26.160
262 HD21 ASN 34 HD21 ASN 34 15.779 11.995 27.540
263 HD22 ASN 34 HD22 ASN 34 14.140 11.631 28.060
264 H GLN 35 H GLN 35 16.948 11.312 23.664
265 HA GLN 35 HA GLN 35 14.472 12.601 22.961
266 HB2 GLN 35 HB2 GLN 35 16.665 13.751 23.192
267 HB3 GLN 35 HB3 GLN 35 17.247 12.927 21.738
268 HG2 GLN 35 HG2 GLN 35 15.497 14.046 20.387
269 HG3 GLN 35 HG3 GLN 35 14.825 14.785 21.842
270 HE21 GLN 35 HE21 GLN 35 15.633 16.831 22.405
271 HE22 GLN 35 HE22 GLN 35 17.083 17.519 21.685
272 H HIS 36 H HIS 36 16.603 10.321 21.185
273 HA HIS 36 HA HIS 36 15.145 10.464 18.718
274 HB2 HIS 36 HB2 HIS 36 17.481 9.456 19.110
275 HB3 HIS 36 HB3 HIS 36 16.642 7.998 19.660
276 HD1 HIS 36 HD1 HIS 36 17.191 10.142 16.557
277 HD2 HIS 36 HD2 HIS 36 15.132 6.678 17.726
278 HE1 HIS 36 HE1 HIS 36 16.284 9.132 14.429
279 H GLN 37 H GLN 37 14.827 8.213 21.523
280 HA GLN 37 HA GLN 37 12.755 6.604 20.392
281 HB2 GLN 37 HB2 GLN 37 13.408 7.274 23.294
282 HB3 GLN 37 HB3 GLN 37 12.187 6.097 22.812
283 HG2 GLN 37 HG2 GLN 37 15.156 5.938 22.181
284 HG3 GLN 37 HG3 GLN 37 14.302 4.987 23.384
285 HE21 GLN 37 HE21 GLN 37 15.661 4.654 20.422
286 HE22 GLN 37 HE22 GLN 37 14.570 3.453 19.744
287 H GLU 38 H GLU 38 12.463 9.578 22.447
288 HA GLU 38 HA GLU 38 9.596 9.594 22.357
289 HB2 GLU 38 HB2 GLU 38 11.527 11.926 22.672
290 HB3 GLU 38 HB3 GLU 38 9.784 12.004 22.926
291 HG2 GLU 38 HG2 GLU 38 11.779 10.383 24.554
292 HG3 GLU 38 HG3 GLU 38 10.907 11.817 25.064
293 H LYS 39 H LYS 39 11.958 11.109 20.072
294 HA LYS 39 HA LYS 39 9.906 12.294 18.442
295 HB2 LYS 39 HB2 LYS 39 12.140 13.152 18.305
296 HB3 LYS 39 HB3 LYS 39 12.802 11.570 17.895
297 HG2 LYS 39 HG2 LYS 39 12.753 13.005 15.930
298 HG3 LYS 39 HG3 LYS 39 11.719 11.605 15.713
299 HD2 LYS 39 HD2 LYS 39 9.780 13.262 16.492
300 HD3 LYS 39 HD3 LYS 39 10.937 14.518 16.069
301 HE2 LYS 39 HE2 LYS 39 9.974 12.252 14.255
302 HE3 LYS 39 HE3 LYS 39 9.310 13.885 14.252
303 HZ1 LYS 39 HZ1 LYS 39 12.122 13.203 13.564
304 HZ2 LYS 39 HZ2 LYS 39 11.492 14.714 13.564
305 HZ3 LYS 39 HZ3 LYS 39 10.959 13.606 12.495
306 H CYS 40 H CYS 40 11.642 9.161 18.001
307 HA CYS 40 HA CYS 40 10.281 8.347 15.649
308 HB2 CYS 40 HB2 CYS 40 11.846 7.011 17.835
309 HB3 CYS 40 HB3 CYS 40 10.771 5.978 16.903
310 H ARG 41 H ARG 41 9.404 7.737 19.096
311 HA ARG 41 HA ARG 41 6.933 6.362 18.531
312 HB2 ARG 41 HB2 ARG 41 7.889 7.930 20.956
313 HB3 ARG 41 HB3 ARG 41 6.378 7.037 20.929
314 HG2 ARG 41 HG2 ARG 41 9.058 5.669 20.392
315 HG3 ARG 41 HG3 ARG 41 8.396 5.909 22.003
316 HD2 ARG 41 HD2 ARG 41 7.769 3.737 21.455
317 HD3 ARG 41 HD3 ARG 41 6.301 4.700 21.251
318 HE ARG 41 HE ARG 41 7.958 4.218 18.835
319 HH11 ARG 41 HH11 ARG 41 5.177 3.097 20.643
320 HH12 ARG 41 HH12 ARG 41 4.545 2.196 19.293
321 HH21 ARG 41 HH21 ARG 41 7.085 3.053 17.146
322 HH22 ARG 41 HH22 ARG 41 5.603 2.173 17.375
323 H TRP 42 H TRP 42 7.523 9.861 19.131
324 HA TRP 42 HA TRP 42 4.777 10.608 18.996
325 HB2 TRP 42 HB2 TRP 42 6.666 12.027 19.835
326 HB3 TRP 42 HB3 TRP 42 7.175 12.287 18.170
327 HD1 TRP 42 HD1 TRP 42 4.714 13.378 20.780
328 HE1 TRP 42 HE1 TRP 42 3.243 15.306 19.944
329 HE3 TRP 42 HE3 TRP 42 6.068 13.359 15.823
330 HZ2 TRP 42 HZ2 TRP 42 2.646 16.602 17.440
331 HZ3 TRP 42 HZ3 TRP 42 4.996 14.936 14.233
332 HH2 TRP 42 HH2 TRP 42 3.286 16.555 15.025
333 H LEU 43 H LEU 43 7.239 10.470 16.341
334 HA LEU 43 HA LEU 43 5.373 11.295 14.325
335 HB2 LEU 43 HB2 LEU 43 7.885 11.333 14.144
336 HB3 LEU 43 HB3 LEU 43 7.862 9.575 13.990
337 HG LEU 43 HG LEU 43 6.448 9.829 11.908
338 HD11 LEU 43 HD11 LEU 43 5.437 12.046 12.285
339 HD12 LEU 43 HD12 LEU 43 6.399 12.070 10.808
340 HD13 LEU 43 HD13 LEU 43 7.048 12.801 12.291
341 HD21 LEU 43 HD21 LEU 43 8.281 10.615 10.477
342 HD22 LEU 43 HD22 LEU 43 8.892 9.572 11.769
343 HD23 LEU 43 HD23 LEU 43 9.094 11.335 11.884
344 H ALA 44 H ALA 44 6.308 8.024 15.504
345 HA ALA 44 HA ALA 44 4.741 6.527 13.701
346 HB1 ALA 44 HB1 ALA 44 4.929 4.730 15.408
347 HB2 ALA 44 HB2 ALA 44 6.477 5.551 15.136
348 HB3 ALA 44 HB3 ALA 44 5.516 5.915 16.586
349 H SER 45 H SER 45 3.694 7.944 16.883
350 HA SER 45 HA SER 45 1.001 6.856 16.575
351 HB2 SER 45 HB2 SER 45 0.455 8.096 18.568
352 HB3 SER 45 HB3 SER 45 1.977 7.219 18.782
353 HG SER 45 HG SER 45 2.105 9.368 19.565
354 H SER 46 H SER 46 2.548 9.919 15.701
355 HA SER 46 HA SER 46 0.138 11.344 14.997
356 HB2 SER 46 HB2 SER 46 2.339 12.393 15.507
357 HB3 SER 46 HB3 SER 46 2.988 11.729 13.993
358 HG SER 46 HG SER 46 2.106 13.983 13.985
359 H LYS 47 H LYS 47 2.010 8.936 13.312
360 HA LYS 47 HA LYS 47 0.505 9.340 10.741
361 HB2 LYS 47 HB2 LYS 47 3.328 8.284 11.202
362 HB3 LYS 47 HB3 LYS 47 2.540 8.419 9.639
363 HG2 LYS 47 HG2 LYS 47 3.244 10.801 11.403
364 HG3 LYS 47 HG3 LYS 47 4.179 10.197 10.037
365 HD2 LYS 47 HD2 LYS 47 2.227 10.611 8.528
366 HD3 LYS 47 HD3 LYS 47 1.348 11.326 9.899
367 HE2 LYS 47 HE2 LYS 47 3.094 13.035 10.168
368 HE3 LYS 47 HE3 LYS 47 4.054 12.296 8.882
369 HZ1 LYS 47 HZ1 LYS 47 2.255 12.809 7.321
370 HZ2 LYS 47 HZ2 LYS 47 2.778 14.176 8.038
371 HZ3 LYS 47 HZ3 LYS 47 1.365 13.503 8.502
372 H GLY 48 H GLY 48 1.150 7.051 9.450
373 HA2 GLY 48 HA2 GLY 48 -0.521 5.019 10.809
374 HA3 GLY 48 HA3 GLY 48 -0.005 5.025 9.127
375 H LYS 49 H LYS 49 0.571 3.758 12.213
376 HA LYS 49 HA LYS 49 2.789 2.026 11.291
377 HB2 LYS 49 HB2 LYS 49 2.925 4.002 13.601
378 HB3 LYS 49 HB3 LYS 49 3.821 2.509 13.714
379 HG2 LYS 49 HG2 LYS 49 4.216 4.583 11.526
380 HG3 LYS 49 HG3 LYS 49 5.224 4.339 12.950
381 HD2 LYS 49 HD2 LYS 49 5.606 1.945 12.184
382 HD3 LYS 49 HD3 LYS 49 4.870 2.385 10.638
383 HE2 LYS 49 HE2 LYS 49 7.287 3.766 11.891
384 HE3 LYS 49 HE3 LYS 49 7.388 2.462 10.710
385 HZ1 LYS 49 HZ1 LYS 49 6.149 5.110 10.197
386 HZ2 LYS 49 HZ2 LYS 49 6.209 3.876 9.121
387 HZ3 LYS 49 HZ3 LYS 49 7.595 4.581 9.632
388 H GLN 50 H GLN 50 3.295 0.352 12.962
389 HA GLN 50 HA GLN 50 0.906 -1.017 13.896
390 HB2 GLN 50 HB2 GLN 50 3.863 -1.637 14.276
391 HB3 GLN 50 HB3 GLN 50 2.521 -2.668 14.792
392 HG2 GLN 50 HG2 GLN 50 1.728 -2.735 12.387
393 HG3 GLN 50 HG3 GLN 50 3.207 -1.886 11.927
394 HE21 GLN 50 HE21 GLN 50 5.223 -3.089 11.917
395 HE22 GLN 50 HE22 GLN 50 5.231 -4.826 12.192
396 H VAL 51 H VAL 51 -0.010 0.543 15.260
397 HA VAL 51 HA VAL 51 1.148 0.736 18.022
398 HB VAL 51 HB VAL 51 -0.225 2.725 18.344
399 HG11 VAL 51 HG11 VAL 51 1.072 4.277 17.018
400 HG12 VAL 51 HG12 VAL 51 2.105 2.951 17.573
401 HG13 VAL 51 HG13 VAL 51 1.544 2.995 15.886
402 HG21 VAL 51 HG21 VAL 51 -1.328 3.884 16.515
403 HG22 VAL 51 HG22 VAL 51 -0.896 2.602 15.371
404 HG23 VAL 51 HG23 VAL 51 -2.044 2.276 16.688
405 H ARG 52 H ARG 52 -1.178 1.400 19.412
406 HA ARG 52 HA ARG 52 -3.001 -0.963 19.066
407 HB2 ARG 52 HB2 ARG 52 -1.785 0.151 21.634
408 HB3 ARG 52 HB3 ARG 52 -3.062 -1.053 21.596
409 HG2 ARG 52 HG2 ARG 52 -0.306 -1.540 20.363
410 HG3 ARG 52 HG3 ARG 52 -0.711 -1.869 22.040
411 HD2 ARG 52 HD2 ARG 52 -0.934 -3.930 20.954
412 HD3 ARG 52 HD3 ARG 52 -2.578 -3.363 21.272
413 HE ARG 52 HE ARG 52 -1.600 -2.637 18.607
414 HH11 ARG 52 HH11 ARG 52 -3.056 -5.294 20.383
415 HH12 ARG 52 HH12 ARG 52 -3.701 -6.027 18.941
416 HH21 ARG 52 HH21 ARG 52 -2.449 -3.620 16.818
417 HH22 ARG 52 HH22 ARG 52 -3.352 -5.103 16.969
418 H ASN 53 H ASN 53 -5.104 -0.720 19.800
419 HA ASN 53 HA ASN 53 -6.294 1.877 19.437
420 HB2 ASN 53 HB2 ASN 53 -7.422 -0.706 20.602
421 HB3 ASN 53 HB3 ASN 53 -8.384 0.698 20.149
422 HD21 ASN 53 HD21 ASN 53 -8.044 -2.231 19.060
423 HD22 ASN 53 HD22 ASN 53 -7.956 -1.940 17.330
424 H PHE 54 H PHE 54 -4.976 0.353 22.258
425 HA PHE 54 HA PHE 54 -6.306 2.234 24.137
426 HB2 PHE 54 HB2 PHE 54 -4.595 -0.222 24.659
427 HB3 PHE 54 HB3 PHE 54 -5.508 0.685 25.850
428 HD1 PHE 54 HD2 PHE 54 -8.027 0.646 25.831
429 HD2 PHE 54 HD1 PHE 54 -5.662 -1.929 23.304
430 HE1 PHE 54 HE2 PHE 54 -9.994 -0.835 25.492
431 HE2 PHE 54 HE1 PHE 54 -7.633 -3.400 22.959
432 HZ PHE 54 HZ PHE 54 -9.798 -2.857 24.055
433 H SER 55 H SER 55 -3.356 2.098 22.431
434 HA SER 55 HA SER 55 -2.036 4.071 24.147
435 HB2 SER 55 HB2 SER 55 -1.489 1.833 25.186
436 HB3 SER 55 HB3 SER 55 -0.648 1.401 23.685
437 HG SER 55 HG SER 55 0.733 2.389 25.327
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 18.251 -15.557 10.898
2 H2 GLY 1 H2 GLY 1 16.886 -14.658 10.850
3 H3 GLY 1 H3 GLY 1 17.737 -14.774 12.243
4 HA2 GLY 1 HA2 GLY 1 18.691 -13.485 9.763
5 HA3 GLY 1 HA3 GLY 1 18.109 -12.627 11.199
6 H SER 2 H SER 2 20.770 -14.488 9.808
7 HA SER 2 HA SER 2 22.379 -14.632 12.215
8 HB2 SER 2 HB2 SER 2 24.166 -15.286 10.506
9 HB3 SER 2 HB3 SER 2 22.743 -16.328 10.655
10 HG SER 2 HG SER 2 23.310 -15.841 8.453
11 H GLU 3 H GLU 3 22.094 -12.234 9.633
12 HA GLU 3 HA GLU 3 23.402 -10.322 11.378
13 HB2 GLU 3 HB2 GLU 3 25.010 -9.433 9.872
14 HB3 GLU 3 HB3 GLU 3 25.381 -11.118 10.128
15 HG2 GLU 3 HG2 GLU 3 23.948 -10.027 7.658
16 HG3 GLU 3 HG3 GLU 3 25.683 -10.220 7.787
17 H PHE 4 H PHE 4 23.235 -8.053 10.461
18 HA PHE 4 HA PHE 4 20.591 -7.726 9.082
19 HB2 PHE 4 HB2 PHE 4 22.107 -5.866 10.954
20 HB3 PHE 4 HB3 PHE 4 20.569 -5.517 10.189
21 HD1 PHE 4 HD1 PHE 4 18.488 -6.618 10.927
22 HD2 PHE 4 HD2 PHE 4 22.262 -7.423 12.856
23 HE1 PHE 4 HE1 PHE 4 17.290 -7.620 12.860
24 HE2 PHE 4 HE2 PHE 4 21.062 -8.434 14.781
25 HZ PHE 4 HZ PHE 4 18.575 -8.528 14.789
26 H THR 5 H THR 5 23.730 -6.008 9.362
27 HA THR 5 HA THR 5 24.225 -5.809 6.548
28 HB THR 5 HB THR 5 22.456 -4.121 6.617
29 HG1 THR 5 HG1 THR 5 23.624 -2.485 5.700
30 HG21 THR 5 HG21 THR 5 22.584 -3.362 8.959
31 HG22 THR 5 HG22 THR 5 22.685 -2.012 7.825
32 HG23 THR 5 HG23 THR 5 24.156 -2.595 8.634
33 H SER 6 H SER 6 26.267 -4.638 6.148
34 HA SER 6 HA SER 6 27.870 -3.685 8.374
35 HB2 SER 6 HB2 SER 6 28.129 -6.168 8.582
36 HB3 SER 6 HB3 SER 6 28.876 -6.192 6.977
37 HG SER 6 HG SER 6 30.429 -6.039 8.668
38 H SER 7 H SER 7 27.718 -1.843 7.084
39 HA SER 7 HA SER 7 29.611 -1.676 4.782
40 HB2 SER 7 HB2 SER 7 26.772 -0.586 4.778
41 HB3 SER 7 HB3 SER 7 27.993 -0.311 3.526
42 HG SER 7 HG SER 7 28.023 -2.582 3.153
43 HA PRO 8 HA PRO 8 30.120 1.846 7.878
44 HB2 PRO 8 HB2 PRO 8 32.752 1.470 8.519
45 HB3 PRO 8 HB3 PRO 8 31.419 0.604 9.341
46 HG2 PRO 8 HG2 PRO 8 33.140 -0.387 7.046
47 HG3 PRO 8 HG3 PRO 8 32.747 -1.230 8.579
48 HD2 PRO 8 HD2 PRO 8 31.367 -1.707 6.280
49 HD3 PRO 8 HD3 PRO 8 30.554 -1.696 7.873
50 H ARG 9 H ARG 9 31.425 3.759 7.554
51 HA ARG 9 HA ARG 9 32.662 4.058 4.838
52 HB2 ARG 9 HB2 ARG 9 30.561 5.904 6.043
53 HB3 ARG 9 HB3 ARG 9 31.445 6.163 4.533
54 HG2 ARG 9 HG2 ARG 9 30.499 3.844 3.808
55 HG3 ARG 9 HG3 ARG 9 29.337 4.068 5.121
56 HD2 ARG 9 HD2 ARG 9 29.824 5.916 2.753
57 HD3 ARG 9 HD3 ARG 9 28.449 4.823 2.946
58 HE ARG 9 HE ARG 9 28.117 6.304 5.150
59 HH11 ARG 9 HH11 ARG 9 28.801 7.439 1.903
60 HH12 ARG 9 HH12 ARG 9 28.010 8.968 2.172
61 HH21 ARG 9 HH21 ARG 9 27.124 8.276 5.421
62 HH22 ARG 9 HH22 ARG 9 27.081 9.417 4.109
63 H GLY 10 H GLY 10 34.139 3.682 7.063
64 HA2 GLY 10 HA2 GLY 10 36.378 4.792 6.930
65 HA3 GLY 10 HA3 GLY 10 35.585 6.291 7.422
66 H ASP 11 H ASP 11 34.242 6.050 9.508
67 HA ASP 11 HA ASP 11 35.837 4.761 11.648
68 HB2 ASP 11 HB2 ASP 11 33.385 6.568 11.669
69 HB3 ASP 11 HB3 ASP 11 34.114 5.871 13.115
70 H LYS 12 H LYS 12 35.258 2.943 12.713
71 HA LYS 12 HA LYS 12 33.230 1.180 11.646
72 HB2 LYS 12 HB2 LYS 12 35.364 0.410 12.595
73 HB3 LYS 12 HB3 LYS 12 34.901 1.010 14.196
74 HG2 LYS 12 HG2 LYS 12 32.984 -0.558 14.233
75 HG3 LYS 12 HG3 LYS 12 33.426 -1.168 12.638
76 HD2 LYS 12 HD2 LYS 12 35.127 -1.316 15.170
77 HD3 LYS 12 HD3 LYS 12 34.140 -2.633 14.548
78 HE2 LYS 12 HE2 LYS 12 36.501 -1.374 13.070
79 HE3 LYS 12 HE3 LYS 12 36.583 -2.840 14.045
80 HZ1 LYS 12 HZ1 LYS 12 34.973 -3.873 12.534
81 HZ2 LYS 12 HZ2 LYS 12 36.300 -3.395 11.718
82 HZ3 LYS 12 HZ3 LYS 12 34.923 -2.531 11.601
83 H ALA 13 H ALA 13 33.418 2.985 14.702
84 HA ALA 13 HA ALA 13 31.951 3.246 16.434
85 HB1 ALA 13 HB1 ALA 13 30.119 4.716 15.770
86 HB2 ALA 13 HB2 ALA 13 31.587 5.091 14.857
87 HB3 ALA 13 HB3 ALA 13 30.271 4.182 14.082
88 H ALA 14 H ALA 14 31.921 0.651 16.344
89 HA ALA 14 HA ALA 14 29.079 -0.198 16.614
90 HB1 ALA 14 HB1 ALA 14 31.160 -1.716 14.989
91 HB2 ALA 14 HB2 ALA 14 29.451 -2.135 15.205
92 HB3 ALA 14 HB3 ALA 14 29.887 -0.680 14.299
93 H TYR 15 H TYR 15 31.016 0.336 18.706
94 HA TYR 15 HA TYR 15 32.040 -2.076 19.878
95 HB2 TYR 15 HB2 TYR 15 31.533 0.752 20.835
96 HB3 TYR 15 HB3 TYR 15 32.064 -0.472 21.963
97 HD1 TYR 15 HD2 TYR 15 34.184 -1.747 21.613
98 HD2 TYR 15 HD1 TYR 15 33.182 1.818 19.393
99 HE1 TYR 15 HE2 TYR 15 36.591 -1.407 21.082
100 HE2 TYR 15 HE1 TYR 15 35.597 2.152 18.857
101 HH TYR 15 HH TYR 15 38.140 -0.082 20.043
102 H ASP 16 H ASP 16 29.052 -2.163 19.233
103 HA ASP 16 HA ASP 16 27.041 -2.728 20.089
104 HB2 ASP 16 HB2 ASP 16 28.453 -4.776 20.214
105 HB3 ASP 16 HB3 ASP 16 28.718 -4.460 21.928
106 H ILE 17 H ILE 17 27.759 -0.331 21.097
107 HA ILE 17 HA ILE 17 26.217 -0.208 23.649
108 HB ILE 17 HB ILE 17 28.443 0.102 24.313
109 HG12 ILE 17 HG12 ILE 17 26.629 1.676 25.203
110 HG13 ILE 17 HG13 ILE 17 28.312 1.983 25.581
111 HG21 ILE 17 HG21 ILE 17 29.605 0.637 22.269
112 HG22 ILE 17 HG22 ILE 17 28.855 2.245 22.193
113 HG23 ILE 17 HG23 ILE 17 29.979 1.837 23.500
114 HD11 ILE 17 HD11 ILE 17 27.080 4.059 25.117
115 HD12 ILE 17 HD12 ILE 17 28.427 3.835 23.997
116 HD13 ILE 17 HD13 ILE 17 26.762 3.536 23.462
117 H LEU 18 H LEU 18 27.285 1.583 20.748
118 HA LEU 18 HA LEU 18 25.241 3.591 20.757
119 HB2 LEU 18 HB2 LEU 18 26.833 2.239 18.537
120 HB3 LEU 18 HB3 LEU 18 25.774 3.610 18.256
121 HG LEU 18 HG LEU 18 27.973 3.871 20.328
122 HD11 LEU 18 HD11 LEU 18 28.315 4.214 17.329
123 HD12 LEU 18 HD12 LEU 18 29.112 2.998 18.353
124 HD13 LEU 18 HD13 LEU 18 29.485 4.714 18.575
125 HD21 LEU 18 HD21 LEU 18 26.245 5.657 20.042
126 HD22 LEU 18 HD22 LEU 18 26.750 5.854 18.356
127 HD23 LEU 18 HD23 LEU 18 27.881 6.218 19.679
128 H ARG 19 H ARG 19 23.252 3.672 19.748
129 HA ARG 19 HA ARG 19 22.009 1.096 18.818
130 HB2 ARG 19 HB2 ARG 19 21.473 2.048 21.194
131 HB3 ARG 19 HB3 ARG 19 20.553 3.272 20.343
132 HG2 ARG 19 HG2 ARG 19 20.078 0.257 20.198
133 HG3 ARG 19 HG3 ARG 19 19.233 1.382 21.257
134 HD2 ARG 19 HD2 ARG 19 18.442 2.605 19.155
135 HD3 ARG 19 HD3 ARG 19 19.035 1.229 18.234
136 HE ARG 19 HE ARG 19 16.746 1.295 20.117
137 HH11 ARG 19 HH11 ARG 19 18.626 -0.728 17.949
138 HH12 ARG 19 HH12 ARG 19 17.450 -2.011 17.995
139 HH21 ARG 19 HH21 ARG 19 15.288 -0.366 20.094
140 HH22 ARG 19 HH22 ARG 19 15.610 -1.798 19.162
141 H ARG 20 H ARG 20 20.995 1.193 16.926
142 HA ARG 20 HA ARG 20 20.869 3.795 15.480
143 HB2 ARG 20 HB2 ARG 20 21.164 2.583 13.448
144 HB3 ARG 20 HB3 ARG 20 22.385 2.061 14.600
145 HG2 ARG 20 HG2 ARG 20 20.879 0.022 15.090
146 HG3 ARG 20 HG3 ARG 20 19.933 0.528 13.684
147 HD2 ARG 20 HD2 ARG 20 21.494 -1.125 12.940
148 HD3 ARG 20 HD3 ARG 20 22.035 0.440 12.307
149 HE ARG 20 HE ARG 20 23.271 -0.223 14.862
150 HH11 ARG 20 HH11 ARG 20 23.592 -0.928 11.447
151 HH12 ARG 20 HH12 ARG 20 25.283 -1.325 11.599
152 HH21 ARG 20 HH21 ARG 20 25.427 -0.717 14.980
153 HH22 ARG 20 HH22 ARG 20 26.288 -1.200 13.548
154 H CYS 21 H CYS 21 19.103 4.542 14.498
155 HA CYS 21 HA CYS 21 16.487 3.371 15.168
156 HB2 CYS 21 HB2 CYS 21 16.948 5.804 15.293
157 HB3 CYS 21 HB3 CYS 21 17.277 5.814 13.547
158 H SER 22 H SER 22 15.503 1.899 13.912
159 HA SER 22 HA SER 22 16.489 0.956 11.419
160 HB2 SER 22 HB2 SER 22 13.732 0.592 12.646
161 HB3 SER 22 HB3 SER 22 14.422 -0.374 11.326
162 HG SER 22 HG SER 22 14.709 -1.410 13.338
163 H GLN 23 H GLN 23 14.541 3.737 11.978
164 HA GLN 23 HA GLN 23 13.706 3.833 9.087
165 HB2 GLN 23 HB2 GLN 23 12.445 5.068 11.564
166 HB3 GLN 23 HB3 GLN 23 12.082 5.589 9.925
167 HG2 GLN 23 HG2 GLN 23 10.357 4.102 10.538
168 HG3 GLN 23 HG3 GLN 23 11.345 3.284 9.333
169 HE21 GLN 23 HE21 GLN 23 11.099 3.581 12.959
170 HE22 GLN 23 HE22 GLN 23 11.382 1.868 13.228
171 H CYS 24 H CYS 24 15.254 5.727 11.727
172 HA CYS 24 HA CYS 24 15.636 8.006 9.925
173 HB2 CYS 24 HB2 CYS 24 16.623 7.666 12.768
174 HB3 CYS 24 HB3 CYS 24 16.417 9.160 11.864
175 H GLY 25 H GLY 25 17.560 5.268 10.959
176 HA2 GLY 25 HA2 GLY 25 19.565 4.491 10.177
177 HA3 GLY 25 HA3 GLY 25 19.705 5.904 9.131
178 H ILE 26 H ILE 26 19.421 7.525 11.827
179 HA ILE 26 HA ILE 26 22.214 7.969 12.310
180 HB ILE 26 HB ILE 26 20.454 9.678 12.447
181 HG12 ILE 26 HG12 ILE 26 21.892 9.460 15.117
182 HG13 ILE 26 HG13 ILE 26 22.681 9.907 13.600
183 HG21 ILE 26 HG21 ILE 26 18.943 9.864 14.366
184 HG22 ILE 26 HG22 ILE 26 18.669 8.335 13.542
185 HG23 ILE 26 HG23 ILE 26 19.580 8.358 15.055
186 HD11 ILE 26 HD11 ILE 26 22.163 11.907 14.842
187 HD12 ILE 26 HD12 ILE 26 21.136 11.860 13.396
188 HD13 ILE 26 HD13 ILE 26 20.460 11.453 14.995
189 H LEU 27 H LEU 27 23.399 7.711 14.269
190 HA LEU 27 HA LEU 27 22.557 5.480 16.078
191 HB2 LEU 27 HB2 LEU 27 25.320 6.241 15.021
192 HB3 LEU 27 HB3 LEU 27 25.069 5.278 16.465
193 HG LEU 27 HG LEU 27 23.744 3.643 15.058
194 HD11 LEU 27 HD11 LEU 27 24.393 3.525 12.645
195 HD12 LEU 27 HD12 LEU 27 25.156 5.123 12.791
196 HD13 LEU 27 HD13 LEU 27 23.401 4.934 12.994
197 HD21 LEU 27 HD21 LEU 27 25.996 3.171 15.887
198 HD22 LEU 27 HD22 LEU 27 26.711 4.016 14.499
199 HD23 LEU 27 HD23 LEU 27 25.793 2.512 14.263
200 H LEU 28 H LEU 28 22.490 5.934 18.197
201 HA LEU 28 HA LEU 28 23.800 8.410 19.264
202 HB2 LEU 28 HB2 LEU 28 21.065 7.293 19.988
203 HB3 LEU 28 HB3 LEU 28 21.887 8.567 20.851
204 HG LEU 28 HG LEU 28 20.232 9.621 19.680
205 HD11 LEU 28 HD11 LEU 28 22.629 10.046 17.873
206 HD12 LEU 28 HD12 LEU 28 22.442 10.752 19.489
207 HD13 LEU 28 HD13 LEU 28 21.301 11.170 18.198
208 HD21 LEU 28 HD21 LEU 28 21.004 8.304 17.067
209 HD22 LEU 28 HD22 LEU 28 19.674 9.433 17.360
210 HD23 LEU 28 HD23 LEU 28 19.642 7.824 18.099
211 HA PRO 29 HA PRO 29 25.557 5.546 22.139
212 HB2 PRO 29 HB2 PRO 29 26.275 7.127 24.259
213 HB3 PRO 29 HB3 PRO 29 27.062 7.178 22.657
214 HG2 PRO 29 HG2 PRO 29 24.911 9.022 23.723
215 HG3 PRO 29 HG3 PRO 29 26.416 9.453 22.861
216 HD2 PRO 29 HD2 PRO 29 24.003 9.281 21.590
217 HD3 PRO 29 HD3 PRO 29 25.528 8.812 20.786
218 H LEU 30 H LEU 30 23.681 7.699 24.344
219 HA LEU 30 HA LEU 30 21.796 5.617 25.074
220 HB2 LEU 30 HB2 LEU 30 23.630 4.684 26.271
221 HB3 LEU 30 HB3 LEU 30 24.121 6.227 26.926
222 HG LEU 30 HG LEU 30 22.079 6.278 28.352
223 HD11 LEU 30 HD11 LEU 30 20.711 4.223 28.586
224 HD12 LEU 30 HD12 LEU 30 21.554 3.500 27.198
225 HD13 LEU 30 HD13 LEU 30 20.523 4.932 26.981
226 HD21 LEU 30 HD21 LEU 30 22.762 4.480 29.870
227 HD22 LEU 30 HD22 LEU 30 24.181 5.282 29.178
228 HD23 LEU 30 HD23 LEU 30 23.675 3.693 28.563
229 HA PRO 31 HA PRO 31 20.561 9.372 27.652
230 HB2 PRO 31 HB2 PRO 31 22.017 11.724 27.691
231 HB3 PRO 31 HB3 PRO 31 22.193 10.381 28.857
232 HG2 PRO 31 HG2 PRO 31 23.880 10.963 26.420
233 HG3 PRO 31 HG3 PRO 31 24.416 10.499 28.062
234 HD2 PRO 31 HD2 PRO 31 24.248 8.672 26.064
235 HD3 PRO 31 HD3 PRO 31 23.808 8.263 27.747
236 H ILE 32 H ILE 32 22.242 10.393 24.644
237 HA ILE 32 HA ILE 32 20.038 12.114 23.796
238 HB ILE 32 HB ILE 32 22.293 11.023 22.069
239 HG12 ILE 32 HG12 ILE 32 22.977 13.651 22.608
240 HG13 ILE 32 HG13 ILE 32 22.288 13.186 24.153
241 HG21 ILE 32 HG21 ILE 32 21.845 13.063 20.720
242 HG22 ILE 32 HG22 ILE 32 20.443 12.006 20.771
243 HG23 ILE 32 HG23 ILE 32 20.482 13.464 21.787
244 HD11 ILE 32 HD11 ILE 32 23.902 11.214 24.167
245 HD12 ILE 32 HD12 ILE 32 24.591 11.844 22.660
246 HD13 ILE 32 HD13 ILE 32 24.694 12.801 24.150
247 H LEU 33 H LEU 33 20.786 8.687 23.437
248 HA LEU 33 HA LEU 33 19.081 8.075 21.236
249 HB2 LEU 33 HB2 LEU 33 20.777 6.544 22.185
250 HB3 LEU 33 HB3 LEU 33 19.843 6.377 23.649
251 HG LEU 33 HG LEU 33 19.773 4.479 22.045
252 HD11 LEU 33 HD11 LEU 33 16.981 5.491 22.610
253 HD12 LEU 33 HD12 LEU 33 18.062 4.791 23.838
254 HD13 LEU 33 HD13 LEU 33 17.544 3.833 22.442
255 HD21 LEU 33 HD21 LEU 33 17.933 6.263 20.393
256 HD22 LEU 33 HD22 LEU 33 18.160 4.531 20.178
257 HD23 LEU 33 HD23 LEU 33 19.520 5.623 19.897
258 H ASN 34 H ASN 34 18.344 8.285 24.751
259 HA ASN 34 HA ASN 34 15.627 7.534 24.586
260 HB2 ASN 34 HB2 ASN 34 17.007 7.802 26.667
261 HB3 ASN 34 HB3 ASN 34 16.907 9.553 26.478
262 HD21 ASN 34 HD21 ASN 34 15.668 10.047 28.315
263 HD22 ASN 34 HD22 ASN 34 14.059 9.388 28.575
264 H GLN 35 H GLN 35 17.070 10.771 24.020
265 HA GLN 35 HA GLN 35 14.566 12.151 23.657
266 HB2 GLN 35 HB2 GLN 35 16.731 13.266 24.151
267 HB3 GLN 35 HB3 GLN 35 17.317 12.838 22.538
268 HG2 GLN 35 HG2 GLN 35 15.476 14.174 21.518
269 HG3 GLN 35 HG3 GLN 35 14.873 14.571 23.131
270 HE21 GLN 35 HE21 GLN 35 17.572 15.085 20.831
271 HE22 GLN 35 HE22 GLN 35 18.180 16.517 21.649
272 H HIS 36 H HIS 36 16.780 10.509 21.296
273 HA HIS 36 HA HIS 36 15.132 11.061 19.001
274 HB2 HIS 36 HB2 HIS 36 17.476 10.154 18.887
275 HB3 HIS 36 HB3 HIS 36 16.863 8.588 19.420
276 HD1 HIS 36 HD1 HIS 36 16.926 10.881 16.384
277 HD2 HIS 36 HD2 HIS 36 15.175 7.267 17.611
278 HE1 HIS 36 HE1 HIS 36 15.924 9.860 14.302
279 H GLN 37 H GLN 37 15.130 8.295 21.305
280 HA GLN 37 HA GLN 37 13.224 6.751 19.994
281 HB2 GLN 37 HB2 GLN 37 14.754 6.301 22.117
282 HB3 GLN 37 HB3 GLN 37 13.336 6.826 23.014
283 HG2 GLN 37 HG2 GLN 37 13.069 4.516 22.924
284 HG3 GLN 37 HG3 GLN 37 12.057 5.024 21.575
285 HE21 GLN 37 HE21 GLN 37 12.982 4.693 19.323
286 HE22 GLN 37 HE22 GLN 37 14.284 3.534 19.124
287 H GLU 38 H GLU 38 12.581 9.280 22.489
288 HA GLU 38 HA GLU 38 9.720 8.946 22.454
289 HB2 GLU 38 HB2 GLU 38 11.438 11.338 23.218
290 HB3 GLU 38 HB3 GLU 38 9.680 11.262 23.408
291 HG2 GLU 38 HG2 GLU 38 9.978 9.172 24.793
292 HG3 GLU 38 HG3 GLU 38 11.713 9.463 24.780
293 H LYS 39 H LYS 39 11.797 11.251 20.576
294 HA LYS 39 HA LYS 39 9.568 12.494 19.234
295 HB2 LYS 39 HB2 LYS 39 11.660 13.664 19.327
296 HB3 LYS 39 HB3 LYS 39 12.541 12.307 18.631
297 HG2 LYS 39 HG2 LYS 39 12.332 14.090 17.000
298 HG3 LYS 39 HG3 LYS 39 11.495 12.647 16.458
299 HD2 LYS 39 HD2 LYS 39 9.345 13.848 17.473
300 HD3 LYS 39 HD3 LYS 39 10.333 15.299 17.364
301 HE2 LYS 39 HE2 LYS 39 9.686 13.361 15.088
302 HE3 LYS 39 HE3 LYS 39 8.848 14.885 15.382
303 HZ1 LYS 39 HZ1 LYS 39 10.949 16.053 14.975
304 HZ2 LYS 39 HZ2 LYS 39 10.551 15.144 13.681
305 HZ3 LYS 39 HZ3 LYS 39 11.729 14.643 14.689
306 H CYS 40 H CYS 40 11.706 9.842 18.225
307 HA CYS 40 HA CYS 40 10.637 9.433 15.639
308 HB2 CYS 40 HB2 CYS 40 12.829 8.715 16.798
309 HB3 CYS 40 HB3 CYS 40 11.926 7.338 17.433
310 H ARG 41 H ARG 41 9.838 7.855 18.785
311 HA ARG 41 HA ARG 41 7.642 6.255 17.863
312 HB2 ARG 41 HB2 ARG 41 8.770 5.915 20.015
313 HB3 ARG 41 HB3 ARG 41 8.183 7.478 20.604
314 HG2 ARG 41 HG2 ARG 41 5.860 6.702 20.486
315 HG3 ARG 41 HG3 ARG 41 6.369 5.160 19.782
316 HD2 ARG 41 HD2 ARG 41 7.220 6.175 22.530
317 HD3 ARG 41 HD3 ARG 41 5.824 5.121 22.243
318 HE ARG 41 HE ARG 41 8.094 3.907 21.037
319 HH11 ARG 41 HH11 ARG 41 6.913 4.547 24.273
320 HH12 ARG 41 HH12 ARG 41 7.739 3.168 24.946
321 HH21 ARG 41 HH21 ARG 41 9.114 2.160 21.958
322 HH22 ARG 41 HH22 ARG 41 8.951 1.857 23.663
323 H TRP 42 H TRP 42 7.640 9.613 19.194
324 HA TRP 42 HA TRP 42 4.835 9.975 19.128
325 HB2 TRP 42 HB2 TRP 42 6.487 11.489 20.224
326 HB3 TRP 42 HB3 TRP 42 6.955 12.100 18.642
327 HD1 TRP 42 HD1 TRP 42 4.287 12.326 21.293
328 HE1 TRP 42 HE1 TRP 42 2.596 14.178 20.747
329 HE3 TRP 42 HE3 TRP 42 5.818 13.462 16.524
330 HZ2 TRP 42 HZ2 TRP 42 1.944 15.880 18.519
331 HZ3 TRP 42 HZ3 TRP 42 4.621 15.197 15.210
332 HH2 TRP 42 HH2 TRP 42 2.686 16.407 16.191
333 H LEU 43 H LEU 43 7.226 10.752 16.553
334 HA LEU 43 HA LEU 43 5.305 11.605 14.624
335 HB2 LEU 43 HB2 LEU 43 7.741 12.102 14.570
336 HB3 LEU 43 HB3 LEU 43 8.079 10.400 14.253
337 HG LEU 43 HG LEU 43 6.832 10.574 12.085
338 HD11 LEU 43 HD11 LEU 43 5.313 12.454 12.574
339 HD12 LEU 43 HD12 LEU 43 6.327 12.833 11.181
340 HD13 LEU 43 HD13 LEU 43 6.702 13.549 12.764
341 HD21 LEU 43 HD21 LEU 43 9.053 12.624 12.446
342 HD22 LEU 43 HD22 LEU 43 8.542 11.883 10.914
343 HD23 LEU 43 HD23 LEU 43 9.273 10.881 12.175
344 H ALA 44 H ALA 44 6.776 8.340 15.143
345 HA ALA 44 HA ALA 44 5.409 7.044 13.006
346 HB1 ALA 44 HB1 ALA 44 7.365 6.106 14.178
347 HB2 ALA 44 HB2 ALA 44 6.402 5.925 15.663
348 HB3 ALA 44 HB3 ALA 44 5.997 4.979 14.216
349 H SER 45 H SER 45 4.318 7.795 16.311
350 HA SER 45 HA SER 45 1.858 6.261 16.139
351 HB2 SER 45 HB2 SER 45 3.028 6.836 18.255
352 HB3 SER 45 HB3 SER 45 2.618 8.544 18.005
353 HG SER 45 HG SER 45 1.128 7.397 19.378
354 H SER 46 H SER 46 2.586 9.806 15.812
355 HA SER 46 HA SER 46 -0.176 10.491 15.297
356 HB2 SER 46 HB2 SER 46 0.635 12.729 14.947
357 HB3 SER 46 HB3 SER 46 1.449 12.022 16.352
358 HG SER 46 HG SER 46 2.947 13.072 15.046
359 H LYS 47 H LYS 47 2.519 9.704 13.201
360 HA LYS 47 HA LYS 47 0.815 9.902 10.751
361 HB2 LYS 47 HB2 LYS 47 3.617 10.993 11.240
362 HB3 LYS 47 HB3 LYS 47 2.996 10.725 9.621
363 HG2 LYS 47 HG2 LYS 47 1.637 12.540 11.652
364 HG3 LYS 47 HG3 LYS 47 2.823 13.092 10.488
365 HD2 LYS 47 HD2 LYS 47 0.194 11.738 9.727
366 HD3 LYS 47 HD3 LYS 47 0.415 13.473 9.814
367 HE2 LYS 47 HE2 LYS 47 2.072 11.665 7.996
368 HE3 LYS 47 HE3 LYS 47 0.567 12.433 7.499
369 HZ1 LYS 47 HZ1 LYS 47 1.569 14.596 7.921
370 HZ2 LYS 47 HZ2 LYS 47 2.483 13.769 6.858
371 HZ3 LYS 47 HZ3 LYS 47 2.976 13.917 8.405
372 H GLY 48 H GLY 48 0.756 7.601 11.780
373 HA2 GLY 48 HA2 GLY 48 2.852 5.731 11.206
374 HA3 GLY 48 HA3 GLY 48 1.174 5.351 11.578
375 H LYS 49 H LYS 49 2.352 7.220 8.788
376 HA LYS 49 HA LYS 49 0.853 5.694 6.814
377 HB2 LYS 49 HB2 LYS 49 2.956 7.902 6.714
378 HB3 LYS 49 HB3 LYS 49 2.314 7.189 5.241
379 HG2 LYS 49 HG2 LYS 49 0.510 8.444 7.355
380 HG3 LYS 49 HG3 LYS 49 1.233 9.356 6.026
381 HD2 LYS 49 HD2 LYS 49 0.136 7.891 4.370
382 HD3 LYS 49 HD3 LYS 49 -0.608 6.946 5.676
383 HE2 LYS 49 HE2 LYS 49 -1.817 8.926 6.472
384 HE3 LYS 49 HE3 LYS 49 -1.038 9.933 5.243
385 HZ1 LYS 49 HZ1 LYS 49 -2.852 7.648 4.664
386 HZ2 LYS 49 HZ2 LYS 49 -2.144 8.595 3.535
387 HZ3 LYS 49 HZ3 LYS 49 -3.259 9.222 4.545
388 H GLN 50 H GLN 50 1.780 4.690 4.948
389 HA GLN 50 HA GLN 50 4.334 3.209 5.401
390 HB2 GLN 50 HB2 GLN 50 1.622 1.973 4.779
391 HB3 GLN 50 HB3 GLN 50 3.177 1.128 4.709
392 HG2 GLN 50 HG2 GLN 50 3.540 1.654 7.139
393 HG3 GLN 50 HG3 GLN 50 1.930 2.375 7.188
394 HE21 GLN 50 HE21 GLN 50 0.842 0.924 8.541
395 HE22 GLN 50 HE22 GLN 50 0.696 -0.791 8.171
396 H VAL 51 H VAL 51 4.693 5.132 3.848
397 HA VAL 51 HA VAL 51 3.920 4.896 1.088
398 HB VAL 51 HB VAL 51 5.690 6.562 0.658
399 HG11 VAL 51 HG11 VAL 51 4.745 8.381 1.951
400 HG12 VAL 51 HG12 VAL 51 3.456 7.285 1.433
401 HG13 VAL 51 HG13 VAL 51 4.030 7.251 3.115
402 HG21 VAL 51 HG21 VAL 51 6.332 6.387 3.641
403 HG22 VAL 51 HG22 VAL 51 7.397 5.839 2.324
404 HG23 VAL 51 HG23 VAL 51 6.983 7.551 2.474
405 H ARG 52 H ARG 52 6.086 2.959 2.794
406 HA ARG 52 HA ARG 52 8.152 2.411 0.888
407 HB2 ARG 52 HB2 ARG 52 8.091 1.895 3.367
408 HB3 ARG 52 HB3 ARG 52 6.974 0.572 3.024
409 HG2 ARG 52 HG2 ARG 52 8.733 -0.462 1.542
410 HG3 ARG 52 HG3 ARG 52 9.841 0.842 1.995
411 HD2 ARG 52 HD2 ARG 52 8.555 -1.177 3.884
412 HD3 ARG 52 HD3 ARG 52 10.227 -1.224 3.303
413 HE ARG 52 HE ARG 52 9.920 1.289 4.513
414 HH11 ARG 52 HH11 ARG 52 9.799 -2.025 5.624
415 HH12 ARG 52 HH12 ARG 52 10.214 -1.593 7.261
416 HH21 ARG 52 HH21 ARG 52 10.417 1.783 6.625
417 HH22 ARG 52 HH22 ARG 52 10.569 0.513 7.802
418 H ASN 53 H ASN 53 8.074 1.350 -1.020
419 HA ASN 53 HA ASN 53 5.609 0.001 -1.884
420 HB2 ASN 53 HB2 ASN 53 8.264 0.607 -3.258
421 HB3 ASN 53 HB3 ASN 53 6.977 -0.332 -4.009
422 HD21 ASN 53 HD21 ASN 53 7.551 1.665 -5.500
423 HD22 ASN 53 HD22 ASN 53 6.398 2.979 -5.321
424 H PHE 54 H PHE 54 9.044 -1.110 -1.704
425 HA PHE 54 HA PHE 54 8.314 -3.664 -0.552
426 HB2 PHE 54 HB2 PHE 54 9.062 -5.105 -2.329
427 HB3 PHE 54 HB3 PHE 54 7.749 -4.119 -2.916
428 HD1 PHE 54 HD2 PHE 54 8.188 -2.260 -4.559
429 HD2 PHE 54 HD1 PHE 54 11.262 -5.019 -3.334
430 HE1 PHE 54 HE2 PHE 54 9.569 -1.589 -6.513
431 HE2 PHE 54 HE1 PHE 54 12.634 -4.362 -5.293
432 HZ PHE 54 HZ PHE 54 11.794 -2.641 -6.885
433 H SER 55 H SER 55 10.221 -5.036 -0.151
434 HA SER 55 HA SER 55 12.437 -3.552 0.934
435 HB2 SER 55 HB2 SER 55 12.048 -6.550 0.585
436 HB3 SER 55 HB3 SER 55 13.294 -5.771 1.578
437 HG SER 55 HG SER 55 11.423 -6.338 2.826