Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
597146 | 2n4k RC | 25670 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H LYS 1 1.806 0.000 0.856
2 HA LYS 1 HA LYS 1 1.395 -0.051 -2.062
3 HB2 LYS 1 HB2 LYS 1 3.204 1.607 -0.371
4 HB3 LYS 1 HB3 LYS 1 3.803 1.080 -1.938
5 HG2 LYS 1 HG2 LYS 1 1.113 2.339 -1.794
6 HG3 LYS 1 HG3 LYS 1 2.544 3.364 -1.656
7 HD2 LYS 1 HD2 LYS 1 2.306 1.364 -3.874
8 HD3 LYS 1 HD3 LYS 1 1.519 2.939 -3.996
9 HE2 LYS 1 HE2 LYS 1 3.515 4.080 -4.066
10 HE3 LYS 1 HE3 LYS 1 4.391 2.814 -3.208
11 HZ1 LYS 1 HZ1 LYS 1 3.820 3.076 -6.049
12 HZ2 LYS 1 HZ2 LYS 1 3.743 1.510 -5.415
13 HZ3 LYS 1 HZ3 LYS 1 5.167 2.411 -5.272
14 H TYR 2 H TYR 2 2.627 -1.443 -3.255
15 HA TYR 2 HA TYR 2 4.621 -3.062 -1.826
16 HB2 TYR 2 HB2 TYR 2 2.537 -4.349 -1.922
17 HB3 TYR 2 HB3 TYR 2 2.470 -4.131 -3.667
18 HD1 TYR 2 HD2 TYR 2 5.187 -5.153 -1.308
19 HD2 TYR 2 HD1 TYR 2 2.877 -6.126 -4.745
20 HE1 TYR 2 HE2 TYR 2 6.511 -7.204 -1.610
21 HE2 TYR 2 HE1 TYR 2 4.193 -8.180 -5.056
22 HH TYR 2 HH TYR 2 5.990 -9.334 -4.390
23 H TYR 3 H TYR 3 6.382 -2.177 -2.810
24 HA TYR 3 HA TYR 3 6.548 -1.524 -5.552
25 HB2 TYR 3 HB2 TYR 3 8.539 -1.870 -3.343
26 HB3 TYR 3 HB3 TYR 3 9.110 -1.715 -5.001
27 HD1 TYR 3 HD2 TYR 3 6.594 -0.028 -2.799
28 HD2 TYR 3 HD1 TYR 3 9.751 0.404 -5.619
29 HE1 TYR 3 HE2 TYR 3 6.404 2.418 -2.628
30 HE2 TYR 3 HE1 TYR 3 9.569 2.852 -5.456
31 HH TYR 3 HH TYR 3 6.990 4.425 -4.202
32 H GLY 4 H GLY 4 7.533 -4.387 -3.714
33 HA2 GLY 4 HA2 GLY 4 7.240 -6.554 -4.817
34 HA3 GLY 4 HA3 GLY 4 7.836 -5.803 -6.289
35 H ASN 5 H ASN 5 9.402 -4.934 -3.356
36 HA ASN 5 HA ASN 5 11.610 -6.783 -3.972
37 HB2 ASN 5 HB2 ASN 5 13.205 -5.033 -3.395
38 HB3 ASN 5 HB3 ASN 5 12.146 -4.477 -4.688
39 HD21 ASN 5 HD21 ASN 5 10.659 -2.861 -4.282
40 HD22 ASN 5 HD22 ASN 5 10.722 -1.880 -2.861
41 H GLY 6 H GLY 6 9.359 -6.856 -1.992
42 HA2 GLY 6 HA2 GLY 6 9.456 -8.058 0.061
43 HA3 GLY 6 HA3 GLY 6 11.047 -7.371 0.354
44 H VAL 7 H VAL 7 8.430 -5.356 -0.726
45 HA VAL 7 HA VAL 7 8.559 -3.889 1.792
46 HB VAL 7 HB VAL 7 7.024 -3.142 -0.697
47 HG11 VAL 7 HG11 VAL 7 7.494 -1.902 1.919
48 HG12 VAL 7 HG12 VAL 7 7.759 -0.834 0.540
49 HG13 VAL 7 HG13 VAL 7 6.201 -1.634 0.750
50 HG21 VAL 7 HG21 VAL 7 9.895 -3.025 -0.106
51 HG22 VAL 7 HG22 VAL 7 9.050 -2.969 -1.653
52 HG23 VAL 7 HG23 VAL 7 9.198 -1.508 -0.676
53 H SER 8 H SER 8 6.713 -3.330 3.004
54 HA SER 8 HA SER 8 4.203 -4.673 2.383
55 HB2 SER 8 HB2 SER 8 4.047 -5.775 4.539
56 HB3 SER 8 HB3 SER 8 5.530 -6.292 3.737
57 HG SER 8 HG SER 8 6.634 -5.452 5.309
58 H CYS 9 H CYS 9 2.506 -3.440 2.888
59 HA CYS 9 HA CYS 9 2.321 -1.779 5.158
60 HB2 CYS 9 HB2 CYS 9 3.986 -0.493 3.721
61 HB3 CYS 9 HB3 CYS 9 2.658 -0.218 2.598
62 H ASN 10 H ASN 10 0.223 -1.584 5.582
63 HA ASN 10 HA ASN 10 -1.676 -1.498 3.339
64 HB2 ASN 10 HB2 ASN 10 -3.183 -2.873 5.010
65 HB3 ASN 10 HB3 ASN 10 -2.028 -3.693 3.963
66 HD21 ASN 10 HD21 ASN 10 -0.098 -4.482 4.850
67 HD22 ASN 10 HD22 ASN 10 0.065 -4.763 6.547
68 H LYS 11 H LYS 11 -1.677 -1.343 6.906
69 HA LYS 11 HA LYS 11 -2.816 1.337 6.779
70 HB2 LYS 11 HB2 LYS 11 -4.603 0.698 8.417
71 HB3 LYS 11 HB3 LYS 11 -4.815 0.019 6.809
72 HG2 LYS 11 HG2 LYS 11 -3.790 -2.095 7.650
73 HG3 LYS 11 HG3 LYS 11 -3.818 -1.395 9.270
74 HD2 LYS 11 HD2 LYS 11 -5.799 -2.559 9.271
75 HD3 LYS 11 HD3 LYS 11 -6.348 -0.980 8.704
76 HE2 LYS 11 HE2 LYS 11 -7.352 -2.433 7.206
77 HE3 LYS 11 HE3 LYS 11 -5.895 -1.940 6.344
78 HZ1 LYS 11 HZ1 LYS 11 -5.060 -3.999 6.421
79 HZ2 LYS 11 HZ2 LYS 11 -6.651 -4.486 6.726
80 HZ3 LYS 11 HZ3 LYS 11 -5.570 -4.276 8.010
81 H LYS 12 H LYS 12 -1.782 -1.339 8.870
82 HA LYS 12 HA LYS 12 -1.367 0.082 11.219
83 HB2 LYS 12 HB2 LYS 12 -1.270 -2.353 11.121
84 HB3 LYS 12 HB3 LYS 12 0.184 -2.277 10.136
85 HG2 LYS 12 HG2 LYS 12 1.258 -1.054 12.086
86 HG3 LYS 12 HG3 LYS 12 -0.143 -1.563 13.032
87 HD2 LYS 12 HD2 LYS 12 0.447 -3.783 12.960
88 HD3 LYS 12 HD3 LYS 12 1.341 -3.607 11.448
89 HE2 LYS 12 HE2 LYS 12 3.094 -3.821 12.886
90 HE3 LYS 12 HE3 LYS 12 2.876 -2.074 12.970
91 HZ1 LYS 12 HZ1 LYS 12 2.795 -3.880 15.064
92 HZ2 LYS 12 HZ2 LYS 12 1.201 -3.355 14.852
93 HZ3 LYS 12 HZ3 LYS 12 2.434 -2.228 15.120
94 H GLY 13 H GLY 13 1.023 -0.666 8.674
95 HA2 GLY 13 HA2 GLY 13 2.232 1.845 8.656
96 HA3 GLY 13 HA3 GLY 13 3.104 0.865 9.827
97 H CYS 14 H CYS 14 4.855 1.389 8.216
98 HA CYS 14 HA CYS 14 4.867 -0.641 6.080
99 HB2 CYS 14 HB2 CYS 14 6.310 2.018 6.066
100 HB3 CYS 14 HB3 CYS 14 6.306 0.827 4.769
101 H SER 15 H SER 15 7.083 -1.370 5.471
102 HA SER 15 HA SER 15 9.193 -1.060 7.396
103 HB2 SER 15 HB2 SER 15 7.822 -3.751 7.166
104 HB3 SER 15 HB3 SER 15 9.298 -3.422 8.075
105 HG SER 15 HG SER 15 7.103 -3.391 9.178
106 H VAL 16 H VAL 16 9.004 -0.570 4.645
107 HA VAL 16 HA VAL 16 9.837 -2.536 2.905
108 HB VAL 16 HB VAL 16 9.299 -0.376 2.041
109 HG11 VAL 16 HG11 VAL 16 11.737 0.736 3.420
110 HG12 VAL 16 HG12 VAL 16 10.516 1.627 2.509
111 HG13 VAL 16 HG13 VAL 16 10.097 0.880 4.051
112 HG21 VAL 16 HG21 VAL 16 12.250 -0.549 1.556
113 HG22 VAL 16 HG22 VAL 16 11.161 -1.805 0.969
114 HG23 VAL 16 HG23 VAL 16 10.959 -0.139 0.426
115 H ASP 17 H ASP 17 11.427 -3.951 3.205
116 HA ASP 17 HA ASP 17 13.721 -3.405 4.817
117 HB2 ASP 17 HB2 ASP 17 12.573 -5.705 3.426
118 HB3 ASP 17 HB3 ASP 17 14.333 -5.674 3.359
119 H TRP 18 H TRP 18 14.703 -1.598 3.847
120 HA TRP 18 HA TRP 18 15.563 -1.651 1.114
121 HB2 TRP 18 HB2 TRP 18 16.124 0.188 3.435
122 HB3 TRP 18 HB3 TRP 18 16.914 0.392 1.874
123 HD1 TRP 18 HD1 TRP 18 14.148 1.778 3.670
124 HE1 TRP 18 HE1 TRP 18 12.351 2.749 2.104
125 HE3 TRP 18 HE3 TRP 18 15.599 -0.439 -0.702
126 HZ2 TRP 18 HZ2 TRP 18 11.641 2.594 -0.623
127 HZ3 TRP 18 HZ3 TRP 18 14.307 0.024 -2.744
128 HH2 TRP 18 HH2 TRP 18 12.369 1.509 -2.704
129 H GLY 19 H GLY 19 16.606 -3.840 1.447
130 HA2 GLY 19 HA2 GLY 19 19.463 -3.403 1.869
131 HA3 GLY 19 HA3 GLY 19 18.695 -4.628 2.867
132 H LYS 20 H LYS 20 16.915 -5.702 0.989
133 HA LYS 20 HA LYS 20 18.780 -7.275 -0.586
134 HB2 LYS 20 HB2 LYS 20 16.686 -8.072 0.826
135 HB3 LYS 20 HB3 LYS 20 15.828 -7.722 -0.668
136 HG2 LYS 20 HG2 LYS 20 17.595 -9.198 -1.797
137 HG3 LYS 20 HG3 LYS 20 17.968 -9.755 -0.164
138 HD2 LYS 20 HD2 LYS 20 15.166 -9.773 -1.249
139 HD3 LYS 20 HD3 LYS 20 16.279 -11.116 -1.519
140 HE2 LYS 20 HE2 LYS 20 15.782 -10.057 1.240
141 HE3 LYS 20 HE3 LYS 20 14.671 -11.210 0.501
142 HZ1 LYS 20 HZ1 LYS 20 16.116 -12.881 0.751
143 HZ2 LYS 20 HZ2 LYS 20 16.857 -11.886 1.902
144 HZ3 LYS 20 HZ3 LYS 20 17.458 -11.944 0.322
145 H ALA 21 H ALA 21 16.259 -4.899 -1.052
146 HA ALA 21 HA ALA 21 15.799 -5.260 -3.796
147 HB1 ALA 21 HB1 ALA 21 15.687 -2.594 -2.415
148 HB2 ALA 21 HB2 ALA 21 14.709 -3.178 -3.762
149 HB3 ALA 21 HB3 ALA 21 14.474 -3.847 -2.147
150 H ILE 22 H ILE 22 18.260 -3.443 -2.055
151 HA ILE 22 HA ILE 22 19.300 -1.967 -4.195
152 HB ILE 22 HB ILE 22 20.812 -3.058 -1.818
153 HG12 ILE 22 HG12 ILE 22 18.882 -1.760 -1.098
154 HG13 ILE 22 HG13 ILE 22 20.356 -0.841 -0.810
155 HG21 ILE 22 HG21 ILE 22 21.881 -0.610 -2.539
156 HG22 ILE 22 HG22 ILE 22 22.587 -2.196 -2.849
157 HG23 ILE 22 HG23 ILE 22 21.589 -1.420 -4.078
158 HD11 ILE 22 HD11 ILE 22 19.048 0.782 -1.710
159 HD12 ILE 22 HD12 ILE 22 19.779 0.148 -3.185
160 HD13 ILE 22 HD13 ILE 22 18.150 -0.347 -2.725
161 H GLY 23 H GLY 23 19.848 -5.284 -3.178
162 HA2 GLY 23 HA2 GLY 23 22.107 -5.732 -4.871
163 HA3 GLY 23 HA3 GLY 23 21.146 -6.967 -4.071
164 H ILE 24 H ILE 24 18.713 -5.664 -5.410
165 HA ILE 24 HA ILE 24 18.807 -7.340 -7.768
166 HB ILE 24 HB ILE 24 16.560 -5.593 -6.758
167 HG12 ILE 24 HG12 ILE 24 16.907 -8.578 -6.440
168 HG13 ILE 24 HG13 ILE 24 17.324 -7.412 -5.189
169 HG21 ILE 24 HG21 ILE 24 15.306 -7.459 -8.154
170 HG22 ILE 24 HG22 ILE 24 15.920 -5.989 -8.909
171 HG23 ILE 24 HG23 ILE 24 16.840 -7.489 -9.024
172 HD11 ILE 24 HD11 ILE 24 14.808 -6.655 -5.658
173 HD12 ILE 24 HD12 ILE 24 14.686 -8.358 -6.099
174 HD13 ILE 24 HD13 ILE 24 15.242 -7.902 -4.489
175 H ILE 25 H ILE 25 18.985 -3.960 -6.982
176 HA ILE 25 HA ILE 25 18.425 -3.004 -9.625
177 HB ILE 25 HB ILE 25 19.787 -1.592 -7.328
178 HG12 ILE 25 HG12 ILE 25 16.909 -1.409 -8.236
179 HG13 ILE 25 HG13 ILE 25 17.450 -2.409 -6.892
180 HG21 ILE 25 HG21 ILE 25 20.191 0.042 -8.774
181 HG22 ILE 25 HG22 ILE 25 19.379 -0.846 -10.062
182 HG23 ILE 25 HG23 ILE 25 18.452 0.221 -9.006
183 HD11 ILE 25 HD11 ILE 25 17.624 -0.663 -5.505
184 HD12 ILE 25 HD12 ILE 25 18.279 0.398 -6.753
185 HD13 ILE 25 HD13 ILE 25 16.540 0.119 -6.655
186 H GLY 26 H GLY 26 21.343 -3.701 -7.757
187 HA2 GLY 26 HA2 GLY 26 23.279 -2.593 -9.392
188 HA3 GLY 26 HA3 GLY 26 23.510 -4.049 -8.435
189 H ASN 27 H ASN 27 21.625 -5.699 -9.752
190 HA ASN 27 HA ASN 27 23.210 -6.489 -12.011
191 HB2 ASN 27 HB2 ASN 27 20.618 -7.593 -10.907
192 HB3 ASN 27 HB3 ASN 27 21.549 -8.338 -12.203
193 HD21 ASN 27 HD21 ASN 27 24.040 -8.353 -11.481
194 HD22 ASN 27 HD22 ASN 27 24.292 -9.141 -9.964
195 H ASN 28 H ASN 28 20.018 -5.066 -11.520
196 HA ASN 28 HA ASN 28 18.998 -5.248 -14.089
197 HB2 ASN 28 HB2 ASN 28 18.611 -3.309 -11.842
198 HB3 ASN 28 HB3 ASN 28 17.896 -2.951 -13.411
199 HD21 ASN 28 HD21 ASN 28 16.433 -3.390 -11.064
200 HD22 ASN 28 HD22 ASN 28 15.496 -4.828 -11.270
201 H ALA 29 H ALA 29 20.981 -2.644 -12.694
202 HA ALA 29 HA ALA 29 21.143 -1.171 -15.129
203 HB1 ALA 29 HB1 ALA 29 22.488 -1.010 -12.470
204 HB2 ALA 29 HB2 ALA 29 23.130 -0.086 -13.829
205 HB3 ALA 29 HB3 ALA 29 21.471 0.174 -13.290
206 H ALA 30 H ALA 30 23.052 -3.697 -13.647
207 HA ALA 30 HA ALA 30 25.431 -3.430 -15.082
208 HB1 ALA 30 HB1 ALA 30 24.267 -5.333 -13.323
209 HB2 ALA 30 HB2 ALA 30 24.918 -6.193 -14.719
210 HB3 ALA 30 HB3 ALA 30 25.962 -5.136 -13.770
211 H ALA 31 H ALA 31 22.331 -4.694 -16.033
212 HA ALA 31 HA ALA 31 23.234 -6.113 -18.337
213 HB1 ALA 31 HB1 ALA 31 20.825 -5.850 -16.951
214 HB2 ALA 31 HB2 ALA 31 20.508 -5.215 -18.565
215 HB3 ALA 31 HB3 ALA 31 21.139 -6.850 -18.369
216 H ASN 32 H ASN 32 22.428 -2.803 -17.663
217 HA ASN 32 HA ASN 32 22.153 -2.060 -20.439
218 HB2 ASN 32 HB2 ASN 32 22.146 -0.548 -17.840
219 HB3 ASN 32 HB3 ASN 32 22.241 0.306 -19.378
220 HD21 ASN 32 HD21 ASN 32 20.169 -0.436 -17.084
221 HD22 ASN 32 HD22 ASN 32 18.715 -0.644 -17.994
222 H LEU 33 H LEU 33 24.673 -2.220 -18.065
223 HA LEU 33 HA LEU 33 26.486 -0.460 -19.415
224 HB2 LEU 33 HB2 LEU 33 26.803 -2.465 -17.201
225 HB3 LEU 33 HB3 LEU 33 28.172 -1.576 -17.867
226 HG LEU 33 HG LEU 33 25.811 -0.070 -16.827
227 HD11 LEU 33 HD11 LEU 33 26.161 -0.549 -14.683
228 HD12 LEU 33 HD12 LEU 33 27.912 -0.430 -14.860
229 HD13 LEU 33 HD13 LEU 33 27.087 -1.940 -15.246
230 HD21 LEU 33 HD21 LEU 33 27.349 1.344 -17.835
231 HD22 LEU 33 HD22 LEU 33 28.734 0.419 -17.256
232 HD23 LEU 33 HD23 LEU 33 27.808 1.418 -16.134
233 H THR 34 H THR 34 26.068 -3.969 -19.209
234 HA THR 34 HA THR 34 28.328 -4.602 -20.816
235 HB THR 34 HB THR 34 27.325 -6.232 -19.261
236 HG1 THR 34 HG1 THR 34 27.624 -7.961 -20.634
237 HG21 THR 34 HG21 THR 34 24.923 -5.476 -20.441
238 HG22 THR 34 HG22 THR 34 25.160 -6.786 -19.285
239 HG23 THR 34 HG23 THR 34 25.197 -7.120 -21.016
240 H THR 35 H THR 35 25.053 -3.702 -21.503
241 HA THR 35 HA THR 35 23.855 -3.500 -23.436
242 HB THR 35 HB THR 35 24.935 -2.411 -25.236
243 HG1 THR 35 HG1 THR 35 27.113 -2.629 -25.664
244 HG21 THR 35 HG21 THR 35 26.592 -1.750 -22.799
245 HG22 THR 35 HG22 THR 35 24.952 -1.168 -23.082
246 HG23 THR 35 HG23 THR 35 26.255 -0.695 -24.171
247 H GLY 36 H GLY 36 24.692 -6.189 -22.748
248 HA2 GLY 36 HA2 GLY 36 24.985 -7.368 -25.440
249 HA3 GLY 36 HA3 GLY 36 25.496 -8.151 -23.952
250 H GLY 37 H GLY 37 22.453 -6.522 -24.826
251 HA2 GLY 37 HA2 GLY 37 20.961 -8.914 -25.117
252 HA3 GLY 37 HA3 GLY 37 20.786 -8.298 -23.481
253 H LYS 38 H LYS 38 18.773 -8.572 -25.580
254 HA LYS 38 HA LYS 38 18.150 -5.802 -26.269
255 HB2 LYS 38 HB2 LYS 38 16.631 -8.313 -26.990
256 HB3 LYS 38 HB3 LYS 38 16.416 -6.714 -27.688
257 HG2 LYS 38 HG2 LYS 38 18.915 -6.961 -28.358
258 HG3 LYS 38 HG3 LYS 38 18.617 -8.683 -28.110
259 HD2 LYS 38 HD2 LYS 38 16.947 -8.732 -29.784
260 HD3 LYS 38 HD3 LYS 38 16.857 -6.970 -29.850
261 HE2 LYS 38 HE2 LYS 38 19.335 -7.101 -30.563
262 HE3 LYS 38 HE3 LYS 38 18.989 -8.795 -30.905
263 HZ1 LYS 38 HZ1 LYS 38 17.298 -8.145 -32.451
264 HZ2 LYS 38 HZ2 LYS 38 18.726 -7.333 -32.850
265 HZ3 LYS 38 HZ3 LYS 38 17.480 -6.511 -32.054
266 H ALA 39 H ALA 39 15.895 -5.045 -25.945
267 HA ALA 39 HA ALA 39 14.220 -6.261 -23.999
268 HB1 ALA 39 HB1 ALA 39 15.107 -5.527 -22.105
269 HB2 ALA 39 HB2 ALA 39 16.363 -4.663 -22.991
270 HB3 ALA 39 HB3 ALA 39 14.827 -3.870 -22.641
271 H GLY 40 H GLY 40 12.207 -5.553 -24.336
272 HA2 GLY 40 HA2 GLY 40 11.845 -3.197 -26.030
273 HA3 GLY 40 HA3 GLY 40 10.634 -4.423 -25.685
274 H TRP 41 H TRP 41 12.629 -2.547 -23.433
275 HA TRP 41 HA TRP 41 10.555 -2.058 -21.629
276 HB2 TRP 41 HB2 TRP 41 12.043 -0.548 -20.527
277 HB3 TRP 41 HB3 TRP 41 13.031 -1.847 -21.188
278 HD1 TRP 41 HD1 TRP 41 13.445 -0.852 -24.129
279 HE1 TRP 41 HE1 TRP 41 14.855 1.247 -24.608
280 HE3 TRP 41 HE3 TRP 41 13.152 1.388 -19.543
281 HZ2 TRP 41 HZ2 TRP 41 15.728 3.548 -23.225
282 HZ3 TRP 41 HZ3 TRP 41 14.303 3.536 -19.203
283 HH2 TRP 41 HH2 TRP 41 15.565 4.591 -21.008
284 H LYS 42 H LYS 42 10.025 0.340 -20.978
285 HA LYS 42 HA LYS 42 8.426 1.399 -23.072
286 HB2 LYS 42 HB2 LYS 42 7.776 1.561 -20.711
287 HB3 LYS 42 HB3 LYS 42 9.159 2.601 -20.395
288 HG2 LYS 42 HG2 LYS 42 8.224 4.405 -21.478
289 HG3 LYS 42 HG3 LYS 42 7.161 3.396 -22.463
290 HD2 LYS 42 HD2 LYS 42 6.157 2.777 -20.093
291 HD3 LYS 42 HD3 LYS 42 6.830 4.351 -19.664
292 HE2 LYS 42 HE2 LYS 42 4.532 4.618 -20.350
293 HE3 LYS 42 HE3 LYS 42 5.593 5.356 -21.550
294 HZ1 LYS 42 HZ1 LYS 42 5.098 2.642 -22.195
295 HZ2 LYS 42 HZ2 LYS 42 4.776 4.030 -23.107
296 HZ3 LYS 42 HZ3 LYS 42 3.633 3.465 -21.995
297 H GLY 43 H GLY 43 11.082 2.949 -21.250
298 HA2 GLY 43 HA2 GLY 43 12.668 4.474 -21.907
299 HA3 GLY 43 HA3 GLY 43 12.455 3.858 -23.539
Start of MODEL 2
1 H1 LYS 1 H LYS 1 0.999 -8.044 3.194
2 HA LYS 1 HA LYS 1 0.346 -8.349 0.464
3 HB2 LYS 1 HB2 LYS 1 -0.691 -6.079 1.046
4 HB3 LYS 1 HB3 LYS 1 0.960 -5.492 1.198
5 HG2 LYS 1 HG2 LYS 1 0.575 -4.938 -0.966
6 HG3 LYS 1 HG3 LYS 1 1.178 -6.580 -1.205
7 HD2 LYS 1 HD2 LYS 1 -1.740 -6.208 -0.761
8 HD3 LYS 1 HD3 LYS 1 -1.071 -5.741 -2.326
9 HE2 LYS 1 HE2 LYS 1 0.078 -8.107 -2.154
10 HE3 LYS 1 HE3 LYS 1 -1.267 -8.431 -1.062
11 HZ1 LYS 1 HZ1 LYS 1 -1.891 -7.191 -3.631
12 HZ2 LYS 1 HZ2 LYS 1 -2.774 -8.319 -2.732
13 HZ3 LYS 1 HZ3 LYS 1 -1.445 -8.823 -3.649
14 H TYR 2 H TYR 2 2.155 -8.843 -0.618
15 HA TYR 2 HA TYR 2 4.723 -7.799 0.323
16 HB2 TYR 2 HB2 TYR 2 4.462 -9.963 1.432
17 HB3 TYR 2 HB3 TYR 2 4.141 -10.736 -0.116
18 HD1 TYR 2 HD2 TYR 2 6.764 -8.417 1.213
19 HD2 TYR 2 HD1 TYR 2 5.891 -12.030 -0.857
20 HE1 TYR 2 HE2 TYR 2 9.172 -8.827 0.926
21 HE2 TYR 2 HE1 TYR 2 8.296 -12.451 -1.149
22 HH TYR 2 HH TYR 2 10.633 -11.030 0.569
23 H TYR 3 H TYR 3 5.570 -6.818 -1.382
24 HA TYR 3 HA TYR 3 4.840 -7.494 -4.069
25 HB2 TYR 3 HB2 TYR 3 6.649 -5.474 -2.800
26 HB3 TYR 3 HB3 TYR 3 6.787 -5.789 -4.526
27 HD1 TYR 3 HD2 TYR 3 3.961 -5.339 -2.111
28 HD2 TYR 3 HD1 TYR 3 5.715 -4.223 -5.823
29 HE1 TYR 3 HE2 TYR 3 2.080 -3.811 -2.534
30 HE2 TYR 3 HE1 TYR 3 3.840 -2.692 -6.256
31 HH TYR 3 HH TYR 3 1.095 -2.777 -5.114
32 H GLY 4 H GLY 4 8.074 -7.280 -2.569
33 HA2 GLY 4 HA2 GLY 4 9.008 -9.807 -3.009
34 HA3 GLY 4 HA3 GLY 4 9.203 -9.014 -4.565
35 H ASN 5 H ASN 5 9.888 -6.444 -3.710
36 HA ASN 5 HA ASN 5 12.657 -6.761 -3.255
37 HB2 ASN 5 HB2 ASN 5 12.733 -4.321 -3.149
38 HB3 ASN 5 HB3 ASN 5 11.700 -4.842 -4.476
39 HD21 ASN 5 HD21 ASN 5 9.859 -3.808 -4.652
40 HD22 ASN 5 HD22 ASN 5 9.004 -3.018 -3.376
41 H GLY 6 H GLY 6 9.947 -6.339 -1.128
42 HA2 GLY 6 HA2 GLY 6 10.554 -7.231 1.173
43 HA3 GLY 6 HA3 GLY 6 11.790 -5.982 1.149
44 H VAL 7 H VAL 7 8.509 -5.656 -0.092
45 HA VAL 7 HA VAL 7 8.108 -3.367 1.658
46 HB VAL 7 HB VAL 7 6.226 -4.429 -0.448
47 HG11 VAL 7 HG11 VAL 7 5.958 -2.417 1.494
48 HG12 VAL 7 HG12 VAL 7 6.181 -1.592 -0.050
49 HG13 VAL 7 HG13 VAL 7 4.879 -2.767 0.144
50 HG21 VAL 7 HG21 VAL 7 8.455 -2.416 -0.701
51 HG22 VAL 7 HG22 VAL 7 8.324 -3.969 -1.527
52 HG23 VAL 7 HG23 VAL 7 7.197 -2.668 -1.910
53 H SER 8 H SER 8 6.658 -3.247 3.296
54 HA SER 8 HA SER 8 5.047 -5.651 3.850
55 HB2 SER 8 HB2 SER 8 5.385 -4.878 6.327
56 HB3 SER 8 HB3 SER 8 6.666 -5.782 5.519
57 HG SER 8 HG SER 8 7.436 -3.904 6.613
58 H CYS 9 H CYS 9 2.980 -5.157 3.566
59 HA CYS 9 HA CYS 9 1.950 -2.689 4.773
60 HB2 CYS 9 HB2 CYS 9 1.108 -3.663 2.039
61 HB3 CYS 9 HB3 CYS 9 0.596 -2.183 2.844
62 H ASN 10 H ASN 10 0.697 -3.460 6.353
63 HA ASN 10 HA ASN 10 -1.159 -5.656 5.703
64 HB2 ASN 10 HB2 ASN 10 -1.170 -5.711 8.382
65 HB3 ASN 10 HB3 ASN 10 -0.000 -6.612 7.424
66 HD21 ASN 10 HD21 ASN 10 -0.445 -4.299 9.820
67 HD22 ASN 10 HD22 ASN 10 1.190 -3.757 9.955
68 H LYS 11 H LYS 11 -1.034 -3.248 8.316
69 HA LYS 11 HA LYS 11 -3.604 -2.168 7.408
70 HB2 LYS 11 HB2 LYS 11 -4.295 -2.129 9.876
71 HB3 LYS 11 HB3 LYS 11 -4.368 -3.674 9.039
72 HG2 LYS 11 HG2 LYS 11 -2.371 -4.428 10.083
73 HG3 LYS 11 HG3 LYS 11 -2.037 -2.823 10.737
74 HD2 LYS 11 HD2 LYS 11 -4.369 -3.129 11.882
75 HD3 LYS 11 HD3 LYS 11 -4.063 -4.844 11.597
76 HE2 LYS 11 HE2 LYS 11 -3.286 -4.268 13.798
77 HE3 LYS 11 HE3 LYS 11 -1.893 -4.600 12.771
78 HZ1 LYS 11 HZ1 LYS 11 -1.503 -2.265 12.528
79 HZ2 LYS 11 HZ2 LYS 11 -1.622 -2.613 14.178
80 HZ3 LYS 11 HZ3 LYS 11 -2.917 -1.880 13.374
81 H LYS 12 H LYS 12 -0.825 -1.847 9.570
82 HA LYS 12 HA LYS 12 -1.242 0.764 10.443
83 HB2 LYS 12 HB2 LYS 12 0.478 -0.746 11.363
84 HB3 LYS 12 HB3 LYS 12 1.398 -0.597 9.871
85 HG2 LYS 12 HG2 LYS 12 0.703 1.919 11.257
86 HG3 LYS 12 HG3 LYS 12 1.887 0.872 12.043
87 HD2 LYS 12 HD2 LYS 12 2.187 1.456 9.134
88 HD3 LYS 12 HD3 LYS 12 2.634 2.700 10.303
89 HE2 LYS 12 HE2 LYS 12 3.672 -0.131 10.335
90 HE3 LYS 12 HE3 LYS 12 4.523 1.235 9.615
91 HZ1 LYS 12 HZ1 LYS 12 3.962 2.137 12.090
92 HZ2 LYS 12 HZ2 LYS 12 5.432 1.438 11.629
93 HZ3 LYS 12 HZ3 LYS 12 4.248 0.496 12.386
94 H GLY 13 H GLY 13 -0.214 -0.429 7.360
95 HA2 GLY 13 HA2 GLY 13 -0.718 1.445 5.655
96 HA3 GLY 13 HA3 GLY 13 0.568 2.279 6.514
97 H CYS 14 H CYS 14 2.659 1.836 6.033
98 HA CYS 14 HA CYS 14 3.378 -0.538 4.549
99 HB2 CYS 14 HB2 CYS 14 3.159 2.140 3.273
100 HB3 CYS 14 HB3 CYS 14 4.558 1.159 2.848
101 H SER 15 H SER 15 5.761 -0.579 4.092
102 HA SER 15 HA SER 15 7.442 1.233 5.558
103 HB2 SER 15 HB2 SER 15 7.243 -1.630 6.525
104 HB3 SER 15 HB3 SER 15 8.331 -0.389 7.147
105 HG SER 15 HG SER 15 6.129 -0.875 8.198
106 H VAL 16 H VAL 16 7.322 0.486 2.867
107 HA VAL 16 HA VAL 16 8.951 -1.555 1.993
108 HB VAL 16 HB VAL 16 7.746 -0.270 0.384
109 HG11 VAL 16 HG11 VAL 16 9.483 2.102 1.047
110 HG12 VAL 16 HG12 VAL 16 8.117 2.051 -0.070
111 HG13 VAL 16 HG13 VAL 16 7.847 1.871 1.664
112 HG21 VAL 16 HG21 VAL 16 10.629 0.408 -0.134
113 HG22 VAL 16 HG22 VAL 16 10.012 -1.242 -0.228
114 HG23 VAL 16 HG23 VAL 16 9.372 0.002 -1.303
115 H ASP 17 H ASP 17 10.912 -2.054 2.719
116 HA ASP 17 HA ASP 17 12.711 -0.137 3.824
117 HB2 ASP 17 HB2 ASP 17 12.572 -3.028 3.548
118 HB3 ASP 17 HB3 ASP 17 14.202 -2.422 3.266
119 H TRP 18 H TRP 18 13.015 1.387 2.153
120 HA TRP 18 HA TRP 18 14.079 0.614 -0.392
121 HB2 TRP 18 HB2 TRP 18 13.685 3.265 0.983
122 HB3 TRP 18 HB3 TRP 18 14.501 3.142 -0.573
123 HD1 TRP 18 HD1 TRP 18 11.271 4.004 0.640
124 HE1 TRP 18 HE1 TRP 18 9.405 3.511 -1.063
125 HE3 TRP 18 HE3 TRP 18 13.830 0.868 -2.482
126 HZ2 TRP 18 HZ2 TRP 18 9.064 1.993 -3.418
127 HZ3 TRP 18 HZ3 TRP 18 12.661 -0.062 -4.437
128 HH2 TRP 18 HH2 TRP 18 10.327 0.490 -4.894
129 H GLY 19 H GLY 19 15.830 -0.704 0.699
130 HA2 GLY 19 HA2 GLY 19 18.252 0.946 0.804
131 HA3 GLY 19 HA3 GLY 19 17.919 -0.119 2.161
132 H LYS 20 H LYS 20 16.925 -2.345 0.832
133 HA LYS 20 HA LYS 20 19.393 -3.384 -0.317
134 HB2 LYS 20 HB2 LYS 20 16.841 -4.777 0.513
135 HB3 LYS 20 HB3 LYS 20 18.277 -5.591 -0.092
136 HG2 LYS 20 HG2 LYS 20 18.071 -3.976 2.441
137 HG3 LYS 20 HG3 LYS 20 18.186 -5.733 2.315
138 HD2 LYS 20 HD2 LYS 20 20.390 -5.328 1.091
139 HD3 LYS 20 HD3 LYS 20 20.277 -3.668 1.680
140 HE2 LYS 20 HE2 LYS 20 21.647 -4.992 3.177
141 HE3 LYS 20 HE3 LYS 20 20.154 -4.516 3.985
142 HZ1 LYS 20 HZ1 LYS 20 21.155 -7.061 3.754
143 HZ2 LYS 20 HZ2 LYS 20 19.864 -7.018 2.662
144 HZ3 LYS 20 HZ3 LYS 20 19.609 -6.630 4.289
145 H ALA 21 H ALA 21 16.171 -2.511 -1.260
146 HA ALA 21 HA ALA 21 16.091 -3.968 -3.704
147 HB1 ALA 21 HB1 ALA 21 14.546 -1.446 -3.367
148 HB2 ALA 21 HB2 ALA 21 14.051 -2.991 -4.060
149 HB3 ALA 21 HB3 ALA 21 14.183 -2.811 -2.311
150 H ILE 22 H ILE 22 17.419 -0.899 -2.742
151 HA ILE 22 HA ILE 22 17.595 0.398 -5.202
152 HB ILE 22 HB ILE 22 19.629 0.509 -2.972
153 HG12 ILE 22 HG12 ILE 22 17.397 0.966 -2.109
154 HG13 ILE 22 HG13 ILE 22 18.328 2.459 -2.177
155 HG21 ILE 22 HG21 ILE 22 20.654 1.634 -4.686
156 HG22 ILE 22 HG22 ILE 22 19.129 2.141 -5.411
157 HG23 ILE 22 HG23 ILE 22 19.723 2.942 -3.957
158 HD11 ILE 22 HD11 ILE 22 16.160 2.973 -2.940
159 HD12 ILE 22 HD12 ILE 22 17.189 2.925 -4.372
160 HD13 ILE 22 HD13 ILE 22 16.123 1.569 -4.007
161 H GLY 23 H GLY 23 19.464 -2.236 -3.890
162 HA2 GLY 23 HA2 GLY 23 21.629 -2.021 -5.758
163 HA3 GLY 23 HA3 GLY 23 21.294 -3.386 -4.703
164 H ILE 24 H ILE 24 18.492 -3.491 -5.815
165 HA ILE 24 HA ILE 24 19.071 -5.349 -7.920
166 HB ILE 24 HB ILE 24 16.413 -4.323 -6.920
167 HG12 ILE 24 HG12 ILE 24 17.826 -6.933 -6.337
168 HG13 ILE 24 HG13 ILE 24 17.806 -5.550 -5.248
169 HG21 ILE 24 HG21 ILE 24 16.080 -6.846 -8.038
170 HG22 ILE 24 HG22 ILE 24 15.552 -5.308 -8.718
171 HG23 ILE 24 HG23 ILE 24 17.115 -5.983 -9.175
172 HD11 ILE 24 HD11 ILE 24 16.132 -6.872 -4.397
173 HD12 ILE 24 HD12 ILE 24 15.229 -5.774 -5.441
174 HD13 ILE 24 HD13 ILE 24 15.599 -7.409 -5.990
175 H ILE 25 H ILE 25 17.771 -2.088 -7.717
176 HA ILE 25 HA ILE 25 16.719 -1.752 -10.241
177 HB ILE 25 HB ILE 25 18.322 0.278 -8.681
178 HG12 ILE 25 HG12 ILE 25 15.330 -0.146 -8.761
179 HG13 ILE 25 HG13 ILE 25 16.374 -0.748 -7.479
180 HG21 ILE 25 HG21 ILE 25 16.503 0.514 -11.054
181 HG22 ILE 25 HG22 ILE 25 16.794 1.874 -9.970
182 HG23 ILE 25 HG23 ILE 25 18.137 1.142 -10.846
183 HD11 ILE 25 HD11 ILE 25 15.481 1.222 -6.630
184 HD12 ILE 25 HD12 ILE 25 17.090 1.686 -7.182
185 HD13 ILE 25 HD13 ILE 25 15.676 2.080 -8.158
186 H GLY 26 H GLY 26 20.068 -1.938 -9.270
187 HA2 GLY 26 HA2 GLY 26 20.911 -1.284 -12.015
188 HA3 GLY 26 HA3 GLY 26 21.951 -1.251 -10.599
189 H ASN 27 H ASN 27 20.345 -3.931 -10.018
190 HA ASN 27 HA ASN 27 22.241 -5.601 -11.529
191 HB2 ASN 27 HB2 ASN 27 21.141 -5.766 -8.759
192 HB3 ASN 27 HB3 ASN 27 21.529 -7.270 -9.591
193 HD21 ASN 27 HD21 ASN 27 23.109 -4.107 -9.683
194 HD22 ASN 27 HD22 ASN 27 24.646 -4.665 -9.125
195 H ASN 28 H ASN 28 19.496 -4.633 -12.293
196 HA ASN 28 HA ASN 28 18.287 -7.280 -12.760
197 HB2 ASN 28 HB2 ASN 28 16.135 -6.419 -12.496
198 HB3 ASN 28 HB3 ASN 28 17.040 -5.576 -11.242
199 HD21 ASN 28 HD21 ASN 28 17.063 -3.423 -11.244
200 HD22 ASN 28 HD22 ASN 28 16.406 -2.424 -12.491
201 H ALA 29 H ALA 29 19.057 -4.117 -14.065
202 HA ALA 29 HA ALA 29 18.028 -4.804 -16.694
203 HB1 ALA 29 HB1 ALA 29 19.246 -2.339 -15.504
204 HB2 ALA 29 HB2 ALA 29 19.053 -2.507 -17.249
205 HB3 ALA 29 HB3 ALA 29 17.640 -2.565 -16.196
206 H ALA 30 H ALA 30 21.080 -4.611 -15.006
207 HA ALA 30 HA ALA 30 22.790 -4.643 -17.253
208 HB1 ALA 30 HB1 ALA 30 23.139 -5.359 -14.367
209 HB2 ALA 30 HB2 ALA 30 24.432 -5.648 -15.532
210 HB3 ALA 30 HB3 ALA 30 23.827 -4.012 -15.274
211 H ALA 31 H ALA 31 21.387 -7.231 -15.284
212 HA ALA 31 HA ALA 31 22.744 -9.405 -16.358
213 HB1 ALA 31 HB1 ALA 31 20.121 -9.036 -15.016
214 HB2 ALA 31 HB2 ALA 31 20.424 -10.570 -15.833
215 HB3 ALA 31 HB3 ALA 31 21.505 -10.026 -14.550
216 H ASN 32 H ASN 32 20.171 -7.486 -17.699
217 HA ASN 32 HA ASN 32 19.690 -9.391 -19.850
218 HB2 ASN 32 HB2 ASN 32 18.379 -6.848 -18.951
219 HB3 ASN 32 HB3 ASN 32 18.103 -7.441 -20.586
220 HD21 ASN 32 HD21 ASN 32 17.356 -7.785 -17.279
221 HD22 ASN 32 HD22 ASN 32 16.263 -9.115 -17.426
222 H LEU 33 H LEU 33 21.195 -6.274 -19.288
223 HA LEU 33 HA LEU 33 21.562 -5.466 -21.942
224 HB2 LEU 33 HB2 LEU 33 22.850 -4.855 -19.341
225 HB3 LEU 33 HB3 LEU 33 23.717 -4.393 -20.804
226 HG LEU 33 HG LEU 33 20.874 -3.549 -20.339
227 HD11 LEU 33 HD11 LEU 33 21.451 -1.789 -19.032
228 HD12 LEU 33 HD12 LEU 33 23.077 -1.675 -19.706
229 HD13 LEU 33 HD13 LEU 33 22.704 -2.917 -18.510
230 HD21 LEU 33 HD21 LEU 33 22.329 -1.600 -21.684
231 HD22 LEU 33 HD22 LEU 33 21.181 -2.739 -22.387
232 HD23 LEU 33 HD23 LEU 33 22.902 -3.127 -22.354
233 H THR 34 H THR 34 23.379 -7.681 -19.918
234 HA THR 34 HA THR 34 25.564 -7.935 -21.773
235 HB THR 34 HB THR 34 25.863 -8.286 -19.332
236 HG1 THR 34 HG1 THR 34 27.178 -10.154 -19.609
237 HG21 THR 34 HG21 THR 34 23.600 -9.842 -19.521
238 HG22 THR 34 HG22 THR 34 24.695 -9.785 -18.140
239 HG23 THR 34 HG23 THR 34 24.887 -11.037 -19.367
240 H THR 35 H THR 35 22.502 -9.470 -21.262
241 HA THR 35 HA THR 35 23.135 -11.840 -22.775
242 HB THR 35 HB THR 35 20.394 -10.830 -22.006
243 HG1 THR 35 HG1 THR 35 22.008 -12.678 -20.564
244 HG21 THR 35 HG21 THR 35 21.483 -13.369 -23.110
245 HG22 THR 35 HG22 THR 35 19.954 -12.556 -23.444
246 HG23 THR 35 HG23 THR 35 20.159 -13.470 -21.951
247 H GLY 36 H GLY 36 21.206 -8.900 -23.316
248 HA2 GLY 36 HA2 GLY 36 21.701 -8.102 -25.732
249 HA3 GLY 36 HA3 GLY 36 20.960 -9.640 -26.151
250 H GLY 37 H GLY 37 20.419 -6.421 -24.936
251 HA2 GLY 37 HA2 GLY 37 17.566 -6.744 -25.545
252 HA3 GLY 37 HA3 GLY 37 18.018 -6.131 -23.962
253 H LYS 38 H LYS 38 16.834 -5.136 -26.757
254 HA LYS 38 HA LYS 38 18.477 -2.923 -27.446
255 HB2 LYS 38 HB2 LYS 38 15.613 -3.641 -28.039
256 HB3 LYS 38 HB3 LYS 38 16.318 -2.127 -28.590
257 HG2 LYS 38 HG2 LYS 38 18.139 -3.573 -29.653
258 HG3 LYS 38 HG3 LYS 38 17.037 -4.926 -29.382
259 HD2 LYS 38 HD2 LYS 38 15.314 -3.792 -30.690
260 HD3 LYS 38 HD3 LYS 38 16.396 -2.420 -30.940
261 HE2 LYS 38 HE2 LYS 38 16.527 -3.718 -32.907
262 HE3 LYS 38 HE3 LYS 38 18.005 -4.056 -32.007
263 HZ1 LYS 38 HZ1 LYS 38 15.676 -5.788 -32.469
264 HZ2 LYS 38 HZ2 LYS 38 16.607 -6.015 -31.075
265 HZ3 LYS 38 HZ3 LYS 38 17.323 -6.148 -32.602
266 H ALA 39 H ALA 39 18.148 -0.708 -27.046
267 HA ALA 39 HA ALA 39 16.243 0.020 -24.953
268 HB1 ALA 39 HB1 ALA 39 18.843 -0.516 -24.278
269 HB2 ALA 39 HB2 ALA 39 18.858 1.233 -24.504
270 HB3 ALA 39 HB3 ALA 39 17.734 0.502 -23.359
271 H GLY 40 H GLY 40 16.630 2.546 -24.513
272 HA2 GLY 40 HA2 GLY 40 17.503 4.110 -26.723
273 HA3 GLY 40 HA3 GLY 40 15.758 3.902 -26.763
274 H TRP 41 H TRP 41 18.059 4.413 -24.094
275 HA TRP 41 HA TRP 41 16.835 6.999 -23.539
276 HB2 TRP 41 HB2 TRP 41 16.640 6.326 -21.083
277 HB3 TRP 41 HB3 TRP 41 15.435 5.661 -22.182
278 HD1 TRP 41 HD1 TRP 41 18.996 4.271 -21.576
279 HE1 TRP 41 HE1 TRP 41 18.772 1.847 -20.739
280 HE3 TRP 41 HE3 TRP 41 13.903 4.004 -21.215
281 HZ2 TRP 41 HZ2 TRP 41 16.709 0.059 -20.022
282 HZ3 TRP 41 HZ3 TRP 41 12.884 1.901 -20.447
283 HH2 TRP 41 HH2 TRP 41 14.259 -0.030 -19.864
284 H LYS 42 H LYS 42 17.964 7.756 -21.281
285 HA LYS 42 HA LYS 42 20.811 7.733 -21.918
286 HB2 LYS 42 HB2 LYS 42 19.106 9.457 -20.126
287 HB3 LYS 42 HB3 LYS 42 20.863 9.550 -20.123
288 HG2 LYS 42 HG2 LYS 42 20.595 9.903 -22.678
289 HG3 LYS 42 HG3 LYS 42 18.932 10.326 -22.263
290 HD2 LYS 42 HD2 LYS 42 19.911 12.390 -22.126
291 HD3 LYS 42 HD3 LYS 42 20.134 11.839 -20.464
292 HE2 LYS 42 HE2 LYS 42 22.231 12.664 -21.053
293 HE3 LYS 42 HE3 LYS 42 22.390 10.925 -21.292
294 HZ1 LYS 42 HZ1 LYS 42 22.685 11.179 -23.478
295 HZ2 LYS 42 HZ2 LYS 42 23.028 12.796 -23.119
296 HZ3 LYS 42 HZ3 LYS 42 21.475 12.353 -23.622
297 H GLY 43 H GLY 43 20.699 5.380 -21.121
298 HA2 GLY 43 HA2 GLY 43 20.868 5.220 -18.194
299 HA3 GLY 43 HA3 GLY 43 20.711 3.855 -19.290
Start of MODEL 3
1 H1 LYS 1 H LYS 1 -1.844 -2.411 -0.432
2 HA LYS 1 HA LYS 1 -1.077 -2.258 -3.253
3 HB2 LYS 1 HB2 LYS 1 0.745 -0.691 -2.745
4 HB3 LYS 1 HB3 LYS 1 -0.829 0.017 -2.405
5 HG2 LYS 1 HG2 LYS 1 0.298 0.661 -0.539
6 HG3 LYS 1 HG3 LYS 1 -0.334 -0.890 0.019
7 HD2 LYS 1 HD2 LYS 1 1.718 -1.915 -0.080
8 HD3 LYS 1 HD3 LYS 1 2.314 -0.838 -1.345
9 HE2 LYS 1 HE2 LYS 1 1.754 0.144 1.437
10 HE3 LYS 1 HE3 LYS 1 3.300 -0.587 1.007
11 HZ1 LYS 1 HZ1 LYS 1 2.121 1.940 0.061
12 HZ2 LYS 1 HZ2 LYS 1 3.259 1.132 -0.894
13 HZ3 LYS 1 HZ3 LYS 1 3.674 1.647 0.663
14 H TYR 2 H TYR 2 1.145 -3.000 -3.637
15 HA TYR 2 HA TYR 2 2.713 -4.241 -1.661
16 HB2 TYR 2 HB2 TYR 2 0.902 -5.848 -1.487
17 HB3 TYR 2 HB3 TYR 2 0.910 -6.096 -3.229
18 HD1 TYR 2 HD2 TYR 2 3.485 -6.130 -0.510
19 HD2 TYR 2 HD1 TYR 2 1.780 -8.129 -3.857
20 HE1 TYR 2 HE2 TYR 2 5.107 -7.959 -0.237
21 HE2 TYR 2 HE1 TYR 2 3.396 -9.964 -3.592
22 HH TYR 2 HH TYR 2 5.305 -10.345 -0.821
23 H TYR 3 H TYR 3 4.581 -3.715 -2.596
24 HA TYR 3 HA TYR 3 4.994 -3.598 -5.396
25 HB2 TYR 3 HB2 TYR 3 6.793 -3.447 -2.999
26 HB3 TYR 3 HB3 TYR 3 7.484 -3.539 -4.615
27 HD1 TYR 3 HD2 TYR 3 4.697 -1.653 -2.969
28 HD2 TYR 3 HD1 TYR 3 8.133 -1.509 -5.475
29 HE1 TYR 3 HE2 TYR 3 4.400 0.775 -3.228
30 HE2 TYR 3 HE1 TYR 3 7.846 0.919 -5.740
31 HH TYR 3 HH TYR 3 5.273 2.662 -4.030
32 H GLY 4 H GLY 4 6.544 -5.755 -3.005
33 HA2 GLY 4 HA2 GLY 4 6.163 -8.215 -3.672
34 HA3 GLY 4 HA3 GLY 4 6.934 -7.713 -5.169
35 H ASN 5 H ASN 5 8.628 -5.836 -3.422
36 HA ASN 5 HA ASN 5 10.811 -7.677 -3.114
37 HB2 ASN 5 HB2 ASN 5 12.086 -5.670 -2.408
38 HB3 ASN 5 HB3 ASN 5 11.252 -5.435 -3.941
39 HD21 ASN 5 HD21 ASN 5 10.325 -3.543 -4.135
40 HD22 ASN 5 HD22 ASN 5 9.668 -2.587 -2.854
41 H GLY 6 H GLY 6 8.379 -6.346 -1.070
42 HA2 GLY 6 HA2 GLY 6 8.482 -7.971 1.029
43 HA3 GLY 6 HA3 GLY 6 9.856 -6.932 1.375
44 H VAL 7 H VAL 7 8.193 -4.746 -0.066
45 HA VAL 7 HA VAL 7 7.356 -3.345 2.157
46 HB VAL 7 HB VAL 7 6.109 -3.122 -0.584
47 HG11 VAL 7 HG11 VAL 7 5.575 -1.777 1.819
48 HG12 VAL 7 HG12 VAL 7 6.495 -0.650 0.820
49 HG13 VAL 7 HG13 VAL 7 5.005 -1.363 0.203
50 HG21 VAL 7 HG21 VAL 7 8.803 -2.536 0.357
51 HG22 VAL 7 HG22 VAL 7 8.178 -2.649 -1.288
52 HG23 VAL 7 HG23 VAL 7 8.010 -1.145 -0.383
53 H SER 8 H SER 8 5.576 -3.286 3.404
54 HA SER 8 HA SER 8 3.009 -4.149 2.650
55 HB2 SER 8 HB2 SER 8 4.443 -6.351 2.897
56 HB3 SER 8 HB3 SER 8 4.154 -6.092 4.617
57 HG SER 8 HG SER 8 2.520 -7.379 3.725
58 H CYS 9 H CYS 9 1.515 -4.287 4.554
59 HA CYS 9 HA CYS 9 2.540 -2.723 6.830
60 HB2 CYS 9 HB2 CYS 9 -0.085 -2.369 5.371
61 HB3 CYS 9 HB3 CYS 9 0.304 -1.594 6.903
62 H ASN 10 H ASN 10 1.074 -2.855 8.761
63 HA ASN 10 HA ASN 10 -0.303 -5.447 8.920
64 HB2 ASN 10 HB2 ASN 10 1.365 -4.417 11.202
65 HB3 ASN 10 HB3 ASN 10 0.772 -6.052 10.921
66 HD21 ASN 10 HD21 ASN 10 3.447 -4.203 10.907
67 HD22 ASN 10 HD22 ASN 10 4.420 -5.084 9.783
68 H LYS 11 H LYS 11 0.396 -2.725 11.115
69 HA LYS 11 HA LYS 11 -2.469 -2.172 11.303
70 HB2 LYS 11 HB2 LYS 11 -0.682 -2.746 13.673
71 HB3 LYS 11 HB3 LYS 11 -2.292 -2.048 13.794
72 HG2 LYS 11 HG2 LYS 11 -3.261 -4.054 12.833
73 HG3 LYS 11 HG3 LYS 11 -1.653 -4.753 12.634
74 HD2 LYS 11 HD2 LYS 11 -2.469 -3.830 15.344
75 HD3 LYS 11 HD3 LYS 11 -3.163 -5.330 14.725
76 HE2 LYS 11 HE2 LYS 11 -0.940 -6.237 14.367
77 HE3 LYS 11 HE3 LYS 11 -0.213 -4.719 14.893
78 HZ1 LYS 11 HZ1 LYS 11 -0.123 -5.811 16.846
79 HZ2 LYS 11 HZ2 LYS 11 -1.402 -6.852 16.471
80 HZ3 LYS 11 HZ3 LYS 11 -1.720 -5.276 16.999
81 H LYS 12 H LYS 12 0.415 -1.152 13.127
82 HA LYS 12 HA LYS 12 -0.238 1.522 13.343
83 HB2 LYS 12 HB2 LYS 12 2.362 0.037 13.362
84 HB3 LYS 12 HB3 LYS 12 2.374 1.795 13.396
85 HG2 LYS 12 HG2 LYS 12 2.330 1.474 15.619
86 HG3 LYS 12 HG3 LYS 12 0.593 1.315 15.348
87 HD2 LYS 12 HD2 LYS 12 0.970 -0.593 16.548
88 HD3 LYS 12 HD3 LYS 12 1.255 -1.211 14.920
89 HE2 LYS 12 HE2 LYS 12 3.013 -1.954 16.411
90 HE3 LYS 12 HE3 LYS 12 3.667 -0.831 15.220
91 HZ1 LYS 12 HZ1 LYS 12 2.763 0.386 17.685
92 HZ2 LYS 12 HZ2 LYS 12 4.170 0.669 16.790
93 HZ3 LYS 12 HZ3 LYS 12 4.093 -0.645 17.852
94 H GLY 13 H GLY 13 2.124 0.192 11.012
95 HA2 GLY 13 HA2 GLY 13 1.098 1.962 8.948
96 HA3 GLY 13 HA3 GLY 13 2.735 2.304 9.488
97 H CYS 14 H CYS 14 4.154 1.568 8.065
98 HA CYS 14 HA CYS 14 3.667 -1.073 6.849
99 HB2 CYS 14 HB2 CYS 14 5.156 1.260 5.627
100 HB3 CYS 14 HB3 CYS 14 4.872 -0.303 4.868
101 H SER 15 H SER 15 6.054 -1.595 5.718
102 HA SER 15 HA SER 15 8.192 -1.160 7.623
103 HB2 SER 15 HB2 SER 15 6.571 -3.344 8.060
104 HB3 SER 15 HB3 SER 15 7.884 -4.030 7.104
105 HG SER 15 HG SER 15 8.612 -4.126 9.152
106 H VAL 16 H VAL 16 7.812 -0.470 4.891
107 HA VAL 16 HA VAL 16 8.892 -2.139 2.989
108 HB VAL 16 HB VAL 16 8.005 -0.032 2.306
109 HG11 VAL 16 HG11 VAL 16 10.273 1.345 3.732
110 HG12 VAL 16 HG12 VAL 16 8.899 2.095 2.918
111 HG13 VAL 16 HG13 VAL 16 8.650 1.174 4.401
112 HG21 VAL 16 HG21 VAL 16 10.962 0.177 1.795
113 HG22 VAL 16 HG22 VAL 16 9.939 -1.033 1.020
114 HG23 VAL 16 HG23 VAL 16 9.636 0.682 0.747
115 H ASP 17 H ASP 17 10.688 -3.309 3.151
116 HA ASP 17 HA ASP 17 12.919 -2.528 4.758
117 HB2 ASP 17 HB2 ASP 17 12.060 -4.888 3.306
118 HB3 ASP 17 HB3 ASP 17 13.778 -4.578 3.066
119 H TRP 18 H TRP 18 13.608 -0.540 3.912
120 HA TRP 18 HA TRP 18 14.365 -0.261 1.163
121 HB2 TRP 18 HB2 TRP 18 14.758 1.458 3.608
122 HB3 TRP 18 HB3 TRP 18 15.436 1.892 2.042
123 HD1 TRP 18 HD1 TRP 18 12.545 2.636 4.057
124 HE1 TRP 18 HE1 TRP 18 10.572 3.482 2.636
125 HE3 TRP 18 HE3 TRP 18 14.194 1.193 -0.562
126 HZ2 TRP 18 HZ2 TRP 18 9.815 3.530 -0.083
127 HZ3 TRP 18 HZ3 TRP 18 12.785 1.676 -2.521
128 HH2 TRP 18 HH2 TRP 18 10.641 2.820 -2.284
129 H GLY 19 H GLY 19 15.720 -2.294 1.286
130 HA2 GLY 19 HA2 GLY 19 18.498 -1.489 1.594
131 HA3 GLY 19 HA3 GLY 19 17.975 -2.819 2.616
132 H LYS 20 H LYS 20 16.211 -4.056 0.777
133 HA LYS 20 HA LYS 20 18.161 -5.078 -1.181
134 HB2 LYS 20 HB2 LYS 20 15.938 -6.426 0.335
135 HB3 LYS 20 HB3 LYS 20 16.601 -7.133 -1.132
136 HG2 LYS 20 HG2 LYS 20 18.604 -7.636 -0.154
137 HG3 LYS 20 HG3 LYS 20 18.482 -6.328 1.025
138 HD2 LYS 20 HD2 LYS 20 16.618 -8.681 1.097
139 HD3 LYS 20 HD3 LYS 20 18.209 -8.745 1.860
140 HE2 LYS 20 HE2 LYS 20 17.590 -6.681 3.129
141 HE3 LYS 20 HE3 LYS 20 15.962 -6.830 2.471
142 HZ1 LYS 20 HZ1 LYS 20 16.346 -9.276 3.466
143 HZ2 LYS 20 HZ2 LYS 20 15.620 -8.016 4.328
144 HZ3 LYS 20 HZ3 LYS 20 17.259 -8.362 4.558
145 H ALA 21 H ALA 21 16.269 -2.801 -1.469
146 HA ALA 21 HA ALA 21 14.676 -3.843 -3.721
147 HB1 ALA 21 HB1 ALA 21 14.077 -1.306 -2.224
148 HB2 ALA 21 HB2 ALA 21 13.032 -2.198 -3.331
149 HB3 ALA 21 HB3 ALA 21 13.418 -2.872 -1.747
150 H ILE 22 H ILE 22 17.033 -1.533 -2.666
151 HA ILE 22 HA ILE 22 16.895 0.115 -5.016
152 HB ILE 22 HB ILE 22 19.002 -0.062 -2.861
153 HG12 ILE 22 HG12 ILE 22 17.908 2.300 -2.429
154 HG13 ILE 22 HG13 ILE 22 16.533 1.581 -3.260
155 HG21 ILE 22 HG21 ILE 22 20.213 0.898 -4.543
156 HG22 ILE 22 HG22 ILE 22 18.791 1.585 -5.325
157 HG23 ILE 22 HG23 ILE 22 19.445 2.335 -3.869
158 HD11 ILE 22 HD11 ILE 22 16.282 -0.077 -1.609
159 HD12 ILE 22 HD12 ILE 22 17.853 0.288 -0.897
160 HD13 ILE 22 HD13 ILE 22 16.528 1.442 -0.747
161 H GLY 23 H GLY 23 18.649 -2.725 -4.019
162 HA2 GLY 23 HA2 GLY 23 20.602 -2.526 -6.144
163 HA3 GLY 23 HA3 GLY 23 20.415 -3.862 -5.017
164 H ILE 24 H ILE 24 17.438 -3.807 -5.791
165 HA ILE 24 HA ILE 24 17.679 -5.797 -7.853
166 HB ILE 24 HB ILE 24 15.167 -4.614 -6.666
167 HG12 ILE 24 HG12 ILE 24 16.601 -5.610 -4.937
168 HG13 ILE 24 HG13 ILE 24 15.153 -6.576 -5.194
169 HG21 ILE 24 HG21 ILE 24 14.387 -7.018 -7.371
170 HG22 ILE 24 HG22 ILE 24 14.421 -5.701 -8.543
171 HG23 ILE 24 HG23 ILE 24 15.727 -6.886 -8.510
172 HD11 ILE 24 HD11 ILE 24 17.845 -7.397 -5.275
173 HD12 ILE 24 HD12 ILE 24 16.397 -8.359 -5.573
174 HD13 ILE 24 HD13 ILE 24 17.203 -7.540 -6.911
175 H ILE 25 H ILE 25 16.921 -2.425 -7.691
176 HA ILE 25 HA ILE 25 15.388 -2.015 -9.948
177 HB ILE 25 HB ILE 25 17.638 -0.260 -8.957
178 HG12 ILE 25 HG12 ILE 25 14.682 -0.052 -8.367
179 HG13 ILE 25 HG13 ILE 25 15.825 -0.860 -7.299
180 HG21 ILE 25 HG21 ILE 25 15.772 1.400 -10.034
181 HG22 ILE 25 HG22 ILE 25 17.224 0.845 -10.864
182 HG23 ILE 25 HG23 ILE 25 15.689 0.018 -11.126
183 HD11 ILE 25 HD11 ILE 25 16.041 2.021 -8.131
184 HD12 ILE 25 HD12 ILE 25 15.279 1.465 -6.641
185 HD13 ILE 25 HD13 ILE 25 16.999 1.183 -6.910
186 H GLY 26 H GLY 26 18.848 -2.608 -9.700
187 HA2 GLY 26 HA2 GLY 26 19.673 -1.903 -12.255
188 HA3 GLY 26 HA3 GLY 26 20.399 -3.181 -11.292
189 H ASN 27 H ASN 27 17.970 -4.782 -11.189
190 HA ASN 27 HA ASN 27 18.230 -6.015 -13.814
191 HB2 ASN 27 HB2 ASN 27 16.857 -6.964 -11.290
192 HB3 ASN 27 HB3 ASN 27 16.978 -7.898 -12.778
193 HD21 ASN 27 HD21 ASN 27 19.313 -8.037 -13.616
194 HD22 ASN 27 HD22 ASN 27 20.503 -8.439 -12.430
195 H ASN 28 H ASN 28 15.860 -4.366 -11.842
196 HA ASN 28 HA ASN 28 13.556 -5.045 -13.316
197 HB2 ASN 28 HB2 ASN 28 14.273 -2.868 -11.394
198 HB3 ASN 28 HB3 ASN 28 12.784 -2.721 -12.324
199 HD21 ASN 28 HD21 ASN 28 12.989 -2.981 -9.506
200 HD22 ASN 28 HD22 ASN 28 12.200 -4.452 -9.060
201 H ALA 29 H ALA 29 15.756 -2.266 -13.533
202 HA ALA 29 HA ALA 29 14.388 -0.962 -15.634
203 HB1 ALA 29 HB1 ALA 29 16.681 -0.485 -14.057
204 HB2 ALA 29 HB2 ALA 29 17.175 -0.374 -15.747
205 HB3 ALA 29 HB3 ALA 29 15.853 0.628 -15.147
206 H ALA 30 H ALA 30 16.630 -3.606 -15.562
207 HA ALA 30 HA ALA 30 17.635 -3.497 -18.173
208 HB1 ALA 30 HB1 ALA 30 17.724 -5.303 -15.989
209 HB2 ALA 30 HB2 ALA 30 17.290 -6.216 -17.435
210 HB3 ALA 30 HB3 ALA 30 18.763 -5.247 -17.414
211 H ALA 31 H ALA 31 14.545 -4.509 -16.943
212 HA ALA 31 HA ALA 31 13.725 -6.016 -19.214
213 HB1 ALA 31 HB1 ALA 31 12.720 -5.549 -16.677
214 HB2 ALA 31 HB2 ALA 31 11.541 -4.796 -17.752
215 HB3 ALA 31 HB3 ALA 31 11.955 -6.498 -17.952
216 H ASN 32 H ASN 32 13.776 -2.634 -18.439
217 HA ASN 32 HA ASN 32 11.983 -1.948 -20.627
218 HB2 ASN 32 HB2 ASN 32 13.501 -0.145 -18.728
219 HB3 ASN 32 HB3 ASN 32 12.247 0.361 -19.856
220 HD21 ASN 32 HD21 ASN 32 12.536 0.370 -16.850
221 HD22 ASN 32 HD22 ASN 32 11.065 -0.337 -16.284
222 H LEU 33 H LEU 33 15.376 -2.073 -19.903
223 HA LEU 33 HA LEU 33 16.140 -0.471 -22.187
224 HB2 LEU 33 HB2 LEU 33 17.705 -2.065 -20.174
225 HB3 LEU 33 HB3 LEU 33 18.458 -1.229 -21.530
226 HG LEU 33 HG LEU 33 16.925 0.057 -19.271
227 HD11 LEU 33 HD11 LEU 33 18.870 0.412 -18.230
228 HD12 LEU 33 HD12 LEU 33 19.714 0.787 -19.732
229 HD13 LEU 33 HD13 LEU 33 19.488 -0.892 -19.244
230 HD21 LEU 33 HD21 LEU 33 16.520 1.499 -21.016
231 HD22 LEU 33 HD22 LEU 33 18.029 1.102 -21.839
232 HD23 LEU 33 HD23 LEU 33 18.050 2.127 -20.403
233 H THR 34 H THR 34 16.065 -3.877 -21.279
234 HA THR 34 HA THR 34 17.473 -4.978 -23.402
235 HB THR 34 HB THR 34 16.700 -6.290 -21.463
236 HG1 THR 34 HG1 THR 34 17.218 -7.653 -23.059
237 HG21 THR 34 HG21 THR 34 14.344 -5.197 -21.609
238 HG22 THR 34 HG22 THR 34 14.486 -6.872 -21.077
239 HG23 THR 34 HG23 THR 34 13.997 -6.510 -22.732
240 H THR 35 H THR 35 14.188 -3.773 -23.267
241 HA THR 35 HA THR 35 13.750 -4.610 -26.050
242 HB THR 35 HB THR 35 12.003 -5.272 -24.437
243 HG1 THR 35 HG1 THR 35 10.840 -5.054 -26.186
244 HG21 THR 35 HG21 THR 35 11.388 -3.865 -22.823
245 HG22 THR 35 HG22 THR 35 10.638 -2.837 -24.045
246 HG23 THR 35 HG23 THR 35 12.312 -2.560 -23.565
247 H GLY 36 H GLY 36 15.493 -2.415 -25.428
248 HA2 GLY 36 HA2 GLY 36 13.923 -0.055 -26.191
249 HA3 GLY 36 HA3 GLY 36 15.574 -0.043 -25.590
250 H GLY 37 H GLY 37 16.474 -2.161 -27.379
251 HA2 GLY 37 HA2 GLY 37 16.249 -2.229 -29.948
252 HA3 GLY 37 HA3 GLY 37 16.662 -0.526 -29.819
253 H LYS 38 H LYS 38 18.650 -0.419 -28.034
254 HA LYS 38 HA LYS 38 20.731 -2.140 -29.214
255 HB2 LYS 38 HB2 LYS 38 20.796 0.736 -28.332
256 HB3 LYS 38 HB3 LYS 38 22.274 -0.205 -28.494
257 HG2 LYS 38 HG2 LYS 38 20.289 0.121 -30.727
258 HG3 LYS 38 HG3 LYS 38 21.647 1.219 -30.469
259 HD2 LYS 38 HD2 LYS 38 23.214 -0.373 -31.033
260 HD3 LYS 38 HD3 LYS 38 22.156 -1.719 -30.603
261 HE2 LYS 38 HE2 LYS 38 20.715 -0.834 -32.597
262 HE3 LYS 38 HE3 LYS 38 22.225 -0.072 -33.095
263 HZ1 LYS 38 HZ1 LYS 38 21.587 -2.938 -32.867
264 HZ2 LYS 38 HZ2 LYS 38 23.193 -2.419 -32.754
265 HZ3 LYS 38 HZ3 LYS 38 22.298 -2.102 -34.154
266 H ALA 39 H ALA 39 22.678 -2.405 -27.766
267 HA ALA 39 HA ALA 39 21.756 -2.917 -25.019
268 HB1 ALA 39 HB1 ALA 39 23.280 -4.479 -26.915
269 HB2 ALA 39 HB2 ALA 39 24.135 -4.304 -25.382
270 HB3 ALA 39 HB3 ALA 39 22.504 -4.975 -25.410
271 H GLY 40 H GLY 40 23.300 -2.623 -23.276
272 HA2 GLY 40 HA2 GLY 40 25.156 -0.400 -23.853
273 HA3 GLY 40 HA3 GLY 40 24.314 -0.620 -22.326
274 H TRP 41 H TRP 41 26.890 -1.836 -24.381
275 HA TRP 41 HA TRP 41 28.551 -2.435 -22.168
276 HB2 TRP 41 HB2 TRP 41 28.627 -4.822 -22.239
277 HB3 TRP 41 HB3 TRP 41 26.931 -4.369 -22.096
278 HD1 TRP 41 HD1 TRP 41 26.139 -3.860 -25.059
279 HE1 TRP 41 HE1 TRP 41 26.099 -5.785 -26.766
280 HE3 TRP 41 HE3 TRP 41 29.268 -7.124 -22.674
281 HZ2 TRP 41 HZ2 TRP 41 27.242 -8.349 -27.063
282 HZ3 TRP 41 HZ3 TRP 41 29.742 -9.292 -23.736
283 HH2 TRP 41 HH2 TRP 41 28.749 -9.890 -25.885
284 H LYS 42 H LYS 42 30.628 -3.410 -22.847
285 HA LYS 42 HA LYS 42 31.656 -2.162 -25.125
286 HB2 LYS 42 HB2 LYS 42 32.719 -4.475 -23.500
287 HB3 LYS 42 HB3 LYS 42 33.639 -3.676 -24.769
288 HG2 LYS 42 HG2 LYS 42 32.489 -2.099 -22.503
289 HG3 LYS 42 HG3 LYS 42 34.009 -2.977 -22.317
290 HD2 LYS 42 HD2 LYS 42 33.563 -1.110 -24.624
291 HD3 LYS 42 HD3 LYS 42 34.100 -0.510 -23.053
292 HE2 LYS 42 HE2 LYS 42 36.144 -1.533 -23.209
293 HE3 LYS 42 HE3 LYS 42 35.543 -2.817 -24.256
294 HZ1 LYS 42 HZ1 LYS 42 35.916 -1.610 -26.098
295 HZ2 LYS 42 HZ2 LYS 42 37.021 -0.783 -25.121
296 HZ3 LYS 42 HZ3 LYS 42 35.477 -0.143 -25.380
297 H GLY 43 H GLY 43 31.203 -5.671 -24.615
298 HA2 GLY 43 HA2 GLY 43 30.665 -7.346 -26.094
299 HA3 GLY 43 HA3 GLY 43 30.021 -6.099 -27.151
Start of MODEL 4
1 H1 LYS 1 H LYS 1 1.839 -6.517 2.895
2 HA LYS 1 HA LYS 1 2.221 -7.151 0.042
3 HB2 LYS 1 HB2 LYS 1 2.413 -4.590 1.561
4 HB3 LYS 1 HB3 LYS 1 3.492 -4.828 0.193
5 HG2 LYS 1 HG2 LYS 1 0.591 -5.357 -0.183
6 HG3 LYS 1 HG3 LYS 1 1.146 -3.684 -0.094
7 HD2 LYS 1 HD2 LYS 1 1.350 -4.030 -2.342
8 HD3 LYS 1 HD3 LYS 1 2.946 -4.572 -1.820
9 HE2 LYS 1 HE2 LYS 1 2.368 -6.832 -2.019
10 HE3 LYS 1 HE3 LYS 1 0.640 -6.480 -2.040
11 HZ1 LYS 1 HZ1 LYS 1 1.714 -7.081 -4.233
12 HZ2 LYS 1 HZ2 LYS 1 2.451 -5.560 -4.191
13 HZ3 LYS 1 HZ3 LYS 1 0.764 -5.681 -4.221
14 H TYR 2 H TYR 2 3.687 -8.811 0.290
15 HA TYR 2 HA TYR 2 6.232 -8.106 1.596
16 HB2 TYR 2 HB2 TYR 2 5.154 -9.976 2.712
17 HB3 TYR 2 HB3 TYR 2 4.978 -10.828 1.182
18 HD1 TYR 2 HD2 TYR 2 7.778 -9.156 3.024
19 HD2 TYR 2 HD1 TYR 2 6.413 -12.607 0.943
20 HE1 TYR 2 HE2 TYR 2 9.965 -10.225 3.375
21 HE2 TYR 2 HE1 TYR 2 8.596 -13.686 1.289
22 HH TYR 2 HH TYR 2 11.061 -12.763 1.700
23 H TYR 3 H TYR 3 7.765 -7.624 0.183
24 HA TYR 3 HA TYR 3 7.631 -8.665 -2.535
25 HB2 TYR 3 HB2 TYR 3 9.258 -6.512 -1.203
26 HB3 TYR 3 HB3 TYR 3 9.663 -7.102 -2.811
27 HD1 TYR 3 HD2 TYR 3 6.778 -5.738 -0.875
28 HD2 TYR 3 HD1 TYR 3 8.691 -6.095 -4.659
29 HE1 TYR 3 HE2 TYR 3 5.126 -4.198 -1.850
30 HE2 TYR 3 HE1 TYR 3 7.045 -4.556 -5.643
31 HH TYR 3 HH TYR 3 4.220 -3.871 -4.444
32 H GLY 4 H GLY 4 10.212 -8.295 -0.090
33 HA2 GLY 4 HA2 GLY 4 11.097 -10.801 0.245
34 HA3 GLY 4 HA3 GLY 4 11.733 -10.425 -1.349
35 H ASN 5 H ASN 5 12.259 -7.654 -0.840
36 HA ASN 5 HA ASN 5 14.864 -7.853 0.212
37 HB2 ASN 5 HB2 ASN 5 14.920 -5.400 0.025
38 HB3 ASN 5 HB3 ASN 5 14.239 -6.138 -1.422
39 HD21 ASN 5 HD21 ASN 5 12.263 -5.557 -2.069
40 HD22 ASN 5 HD22 ASN 5 11.210 -4.498 -1.199
41 H GLY 6 H GLY 6 11.791 -7.163 1.678
42 HA2 GLY 6 HA2 GLY 6 11.912 -7.723 4.156
43 HA3 GLY 6 HA3 GLY 6 13.154 -6.480 4.206
44 H VAL 7 H VAL 7 10.194 -6.350 2.300
45 HA VAL 7 HA VAL 7 9.496 -3.851 3.620
46 HB VAL 7 HB VAL 7 8.073 -5.180 1.314
47 HG11 VAL 7 HG11 VAL 7 7.720 -2.700 2.811
48 HG12 VAL 7 HG12 VAL 7 7.804 -2.463 1.064
49 HG13 VAL 7 HG13 VAL 7 6.600 -3.554 1.751
50 HG21 VAL 7 HG21 VAL 7 10.502 -3.440 1.388
51 HG22 VAL 7 HG22 VAL 7 10.182 -4.877 0.416
52 HG23 VAL 7 HG23 VAL 7 9.393 -3.350 0.019
53 H SER 8 H SER 8 7.496 -3.448 4.600
54 HA SER 8 HA SER 8 5.689 -5.688 5.050
55 HB2 SER 8 HB2 SER 8 6.892 -6.123 6.968
56 HB3 SER 8 HB3 SER 8 7.413 -4.448 7.149
57 HG SER 8 HG SER 8 5.669 -4.021 8.267
58 H CYS 9 H CYS 9 3.655 -5.016 4.918
59 HA CYS 9 HA CYS 9 2.657 -2.660 6.104
60 HB2 CYS 9 HB2 CYS 9 3.948 -1.692 4.157
61 HB3 CYS 9 HB3 CYS 9 2.812 -2.513 3.091
62 H ASN 10 H ASN 10 0.549 -2.956 6.450
63 HA ASN 10 HA ASN 10 -1.002 -4.576 4.565
64 HB2 ASN 10 HB2 ASN 10 -2.098 -5.559 6.747
65 HB3 ASN 10 HB3 ASN 10 -0.626 -6.269 6.092
66 HD21 ASN 10 HD21 ASN 10 -2.081 -4.732 8.745
67 HD22 ASN 10 HD22 ASN 10 -0.684 -4.629 9.756
68 H LYS 11 H LYS 11 -1.393 -2.927 7.706
69 HA LYS 11 HA LYS 11 -3.484 -1.260 6.507
70 HB2 LYS 11 HB2 LYS 11 -3.816 -2.649 9.170
71 HB3 LYS 11 HB3 LYS 11 -4.996 -1.629 8.357
72 HG2 LYS 11 HG2 LYS 11 -3.978 -4.222 7.224
73 HG3 LYS 11 HG3 LYS 11 -5.434 -4.083 8.212
74 HD2 LYS 11 HD2 LYS 11 -6.549 -2.812 6.593
75 HD3 LYS 11 HD3 LYS 11 -5.052 -2.410 5.749
76 HE2 LYS 11 HE2 LYS 11 -4.860 -4.576 4.845
77 HE3 LYS 11 HE3 LYS 11 -6.062 -5.233 5.956
78 HZ1 LYS 11 HZ1 LYS 11 -6.432 -3.931 3.424
79 HZ2 LYS 11 HZ2 LYS 11 -7.424 -3.296 4.639
80 HZ3 LYS 11 HZ3 LYS 11 -7.479 -4.948 4.279
81 H LYS 12 H LYS 12 -1.623 -1.871 9.481
82 HA LYS 12 HA LYS 12 -1.863 0.605 10.675
83 HB2 LYS 12 HB2 LYS 12 0.381 -1.400 10.675
84 HB3 LYS 12 HB3 LYS 12 0.477 0.086 11.611
85 HG2 LYS 12 HG2 LYS 12 -1.754 -1.913 11.884
86 HG3 LYS 12 HG3 LYS 12 -0.296 -1.920 12.881
87 HD2 LYS 12 HD2 LYS 12 -0.818 0.338 13.662
88 HD3 LYS 12 HD3 LYS 12 -2.269 0.354 12.656
89 HE2 LYS 12 HE2 LYS 12 -2.916 -0.170 14.901
90 HE3 LYS 12 HE3 LYS 12 -3.089 -1.626 13.922
91 HZ1 LYS 12 HZ1 LYS 12 -0.495 -1.485 15.057
92 HZ2 LYS 12 HZ2 LYS 12 -1.668 -2.692 15.224
93 HZ3 LYS 12 HZ3 LYS 12 -1.669 -1.362 16.270
94 H GLY 13 H GLY 13 1.041 -0.389 8.851
95 HA2 GLY 13 HA2 GLY 13 1.073 1.939 7.220
96 HA3 GLY 13 HA3 GLY 13 2.156 2.135 8.590
97 H CYS 14 H CYS 14 3.666 2.328 6.668
98 HA CYS 14 HA CYS 14 4.656 -0.353 5.944
99 HB2 CYS 14 HB2 CYS 14 5.010 2.162 4.307
100 HB3 CYS 14 HB3 CYS 14 5.425 0.517 3.837
101 H SER 15 H SER 15 6.981 -0.521 5.636
102 HA SER 15 HA SER 15 8.646 1.583 6.724
103 HB2 SER 15 HB2 SER 15 7.652 -0.252 8.517
104 HB3 SER 15 HB3 SER 15 9.211 -0.954 8.086
105 HG SER 15 HG SER 15 8.682 1.602 9.180
106 H VAL 16 H VAL 16 8.461 0.364 4.172
107 HA VAL 16 HA VAL 16 10.188 -1.701 3.604
108 HB VAL 16 HB VAL 16 8.867 -0.790 1.841
109 HG11 VAL 16 HG11 VAL 16 10.463 1.761 2.030
110 HG12 VAL 16 HG12 VAL 16 9.083 1.435 0.978
111 HG13 VAL 16 HG13 VAL 16 8.857 1.542 2.725
112 HG21 VAL 16 HG21 VAL 16 11.586 0.059 0.957
113 HG22 VAL 16 HG22 VAL 16 11.323 -1.618 1.436
114 HG23 VAL 16 HG23 VAL 16 10.383 -0.921 0.117
115 H ASP 17 H ASP 17 12.196 -1.959 4.325
116 HA ASP 17 HA ASP 17 13.905 0.200 5.041
117 HB2 ASP 17 HB2 ASP 17 13.966 -2.713 5.163
118 HB3 ASP 17 HB3 ASP 17 15.540 -2.024 4.775
119 H TRP 18 H TRP 18 14.048 1.478 3.154
120 HA TRP 18 HA TRP 18 15.077 0.405 0.705
121 HB2 TRP 18 HB2 TRP 18 14.526 3.191 1.702
122 HB3 TRP 18 HB3 TRP 18 15.331 2.914 0.160
123 HD1 TRP 18 HD1 TRP 18 12.065 3.717 1.297
124 HE1 TRP 18 HE1 TRP 18 10.221 2.856 -0.279
125 HE3 TRP 18 HE3 TRP 18 14.803 0.334 -1.385
126 HZ2 TRP 18 HZ2 TRP 18 9.961 0.989 -2.380
127 HZ3 TRP 18 HZ3 TRP 18 13.681 -0.949 -3.160
128 HH2 TRP 18 HH2 TRP 18 11.310 -0.628 -3.645
129 H GLY 19 H GLY 19 16.949 -0.626 1.892
130 HA2 GLY 19 HA2 GLY 19 19.236 1.225 1.769
131 HA3 GLY 19 HA3 GLY 19 19.046 0.168 3.160
132 H LYS 20 H LYS 20 18.418 -2.219 2.207
133 HA LYS 20 HA LYS 20 20.832 -2.992 0.789
134 HB2 LYS 20 HB2 LYS 20 18.636 -4.634 2.062
135 HB3 LYS 20 HB3 LYS 20 20.069 -5.312 1.301
136 HG2 LYS 20 HG2 LYS 20 21.481 -4.527 2.970
137 HG3 LYS 20 HG3 LYS 20 20.314 -3.326 3.526
138 HD2 LYS 20 HD2 LYS 20 20.266 -5.007 5.162
139 HD3 LYS 20 HD3 LYS 20 18.840 -5.313 4.167
140 HE2 LYS 20 HE2 LYS 20 21.419 -6.669 3.513
141 HE3 LYS 20 HE3 LYS 20 20.432 -7.275 4.842
142 HZ1 LYS 20 HZ1 LYS 20 18.688 -6.886 2.753
143 HZ2 LYS 20 HZ2 LYS 20 19.271 -8.368 3.321
144 HZ3 LYS 20 HZ3 LYS 20 20.055 -7.585 2.043
145 H ALA 21 H ALA 21 17.445 -2.627 0.187
146 HA ALA 21 HA ALA 21 17.261 -4.322 -2.087
147 HB1 ALA 21 HB1 ALA 21 15.551 -1.956 -1.327
148 HB2 ALA 21 HB2 ALA 21 15.145 -3.191 -2.519
149 HB3 ALA 21 HB3 ALA 21 15.293 -3.625 -0.816
150 H ILE 22 H ILE 22 18.428 -1.103 -1.581
151 HA ILE 22 HA ILE 22 18.139 0.017 -4.108
152 HB ILE 22 HB ILE 22 20.502 0.388 -2.265
153 HG12 ILE 22 HG12 ILE 22 18.426 0.776 -1.054
154 HG13 ILE 22 HG13 ILE 22 19.226 2.313 -1.369
155 HG21 ILE 22 HG21 ILE 22 20.446 2.699 -3.344
156 HG22 ILE 22 HG22 ILE 22 21.047 1.364 -4.325
157 HG23 ILE 22 HG23 ILE 22 19.410 1.970 -4.570
158 HD11 ILE 22 HD11 ILE 22 17.604 2.114 -3.529
159 HD12 ILE 22 HD12 ILE 22 16.639 1.307 -2.292
160 HD13 ILE 22 HD13 ILE 22 17.196 2.961 -2.037
161 H GLY 23 H GLY 23 20.315 -2.453 -2.987
162 HA2 GLY 23 HA2 GLY 23 22.137 -2.247 -5.202
163 HA3 GLY 23 HA3 GLY 23 22.079 -3.541 -4.015
164 H ILE 24 H ILE 24 19.094 -3.760 -4.694
165 HA ILE 24 HA ILE 24 19.478 -5.704 -6.818
166 HB ILE 24 HB ILE 24 16.979 -5.062 -5.247
167 HG12 ILE 24 HG12 ILE 24 18.882 -7.381 -4.874
168 HG13 ILE 24 HG13 ILE 24 18.941 -5.912 -3.905
169 HG21 ILE 24 HG21 ILE 24 16.224 -6.138 -7.152
170 HG22 ILE 24 HG22 ILE 24 17.665 -7.146 -7.278
171 HG23 ILE 24 HG23 ILE 24 16.462 -7.479 -6.032
172 HD11 ILE 24 HD11 ILE 24 16.362 -6.554 -3.585
173 HD12 ILE 24 HD12 ILE 24 17.047 -8.162 -3.826
174 HD13 ILE 24 HD13 ILE 24 17.651 -7.132 -2.528
175 H ILE 25 H ILE 25 17.990 -2.591 -6.310
176 HA ILE 25 HA ILE 25 16.230 -2.463 -8.450
177 HB ILE 25 HB ILE 25 17.957 -0.225 -7.383
178 HG12 ILE 25 HG12 ILE 25 15.113 -0.937 -6.647
179 HG13 ILE 25 HG13 ILE 25 16.514 -1.443 -5.708
180 HG21 ILE 25 HG21 ILE 25 17.119 0.861 -9.158
181 HG22 ILE 25 HG22 ILE 25 15.860 -0.343 -9.426
182 HG23 ILE 25 HG23 ILE 25 15.632 0.915 -8.212
183 HD11 ILE 25 HD11 ILE 25 15.332 1.267 -6.041
184 HD12 ILE 25 HD12 ILE 25 15.853 0.433 -4.577
185 HD13 ILE 25 HD13 ILE 25 17.051 1.108 -5.682
186 H GLY 26 H GLY 26 19.719 -2.228 -8.401
187 HA2 GLY 26 HA2 GLY 26 19.938 -1.221 -11.088
188 HA3 GLY 26 HA3 GLY 26 21.253 -1.817 -10.085
189 H ASN 27 H ASN 27 19.538 -4.330 -9.677
190 HA ASN 27 HA ASN 27 20.590 -5.711 -12.018
191 HB2 ASN 27 HB2 ASN 27 19.714 -6.532 -9.286
192 HB3 ASN 27 HB3 ASN 27 19.641 -7.729 -10.575
193 HD21 ASN 27 HD21 ASN 27 21.899 -5.185 -9.550
194 HD22 ASN 27 HD22 ASN 27 23.308 -6.184 -9.597
195 H ASN 28 H ASN 28 17.529 -5.012 -10.436
196 HA ASN 28 HA ASN 28 15.831 -6.710 -11.809
197 HB2 ASN 28 HB2 ASN 28 15.278 -3.867 -10.932
198 HB3 ASN 28 HB3 ASN 28 14.054 -5.066 -11.339
199 HD21 ASN 28 HD21 ASN 28 15.017 -7.305 -10.131
200 HD22 ASN 28 HD22 ASN 28 15.044 -7.084 -8.418
201 H ALA 29 H ALA 29 16.431 -3.292 -12.648
202 HA ALA 29 HA ALA 29 15.161 -3.360 -15.135
203 HB1 ALA 29 HB1 ALA 29 17.070 -1.550 -13.786
204 HB2 ALA 29 HB2 ALA 29 16.943 -1.406 -15.540
205 HB3 ALA 29 HB3 ALA 29 15.509 -1.206 -14.532
206 H ALA 30 H ALA 30 18.503 -4.048 -14.233
207 HA ALA 30 HA ALA 30 19.625 -4.199 -16.785
208 HB1 ALA 30 HB1 ALA 30 20.312 -5.375 -14.135
209 HB2 ALA 30 HB2 ALA 30 21.169 -5.937 -15.571
210 HB3 ALA 30 HB3 ALA 30 21.213 -4.230 -15.130
211 H ALA 31 H ALA 31 17.526 -6.384 -15.106
212 HA ALA 31 HA ALA 31 18.092 -8.783 -16.420
213 HB1 ALA 31 HB1 ALA 31 16.573 -8.395 -14.417
214 HB2 ALA 31 HB2 ALA 31 15.325 -7.965 -15.587
215 HB3 ALA 31 HB3 ALA 31 16.036 -9.579 -15.610
216 H ASN 32 H ASN 32 16.183 -6.010 -17.408
217 HA ASN 32 HA ASN 32 14.995 -7.293 -19.672
218 HB2 ASN 32 HB2 ASN 32 15.206 -4.439 -18.746
219 HB3 ASN 32 HB3 ASN 32 14.542 -4.830 -20.330
220 HD21 ASN 32 HD21 ASN 32 13.305 -3.652 -17.930
221 HD22 ASN 32 HD22 ASN 32 11.946 -4.658 -17.572
222 H LEU 33 H LEU 33 17.901 -5.431 -19.090
223 HA LEU 33 HA LEU 33 18.578 -4.815 -21.739
224 HB2 LEU 33 HB2 LEU 33 20.126 -5.142 -19.207
225 HB3 LEU 33 HB3 LEU 33 20.986 -4.939 -20.732
226 HG LEU 33 HG LEU 33 20.782 -2.827 -19.531
227 HD11 LEU 33 HD11 LEU 33 19.065 -1.907 -21.530
228 HD12 LEU 33 HD12 LEU 33 19.863 -3.326 -22.210
229 HD13 LEU 33 HD13 LEU 33 20.826 -1.988 -21.583
230 HD21 LEU 33 HD21 LEU 33 18.646 -1.787 -19.134
231 HD22 LEU 33 HD22 LEU 33 18.674 -3.367 -18.351
232 HD23 LEU 33 HD23 LEU 33 17.803 -3.149 -19.870
233 H THR 34 H THR 34 18.787 -7.769 -19.941
234 HA THR 34 HA THR 34 20.576 -9.029 -21.849
235 HB THR 34 HB THR 34 20.531 -10.957 -20.452
236 HG1 THR 34 HG1 THR 34 18.293 -9.737 -19.172
237 HG21 THR 34 HG21 THR 34 20.301 -8.796 -18.396
238 HG22 THR 34 HG22 THR 34 21.591 -8.729 -19.597
239 HG23 THR 34 HG23 THR 34 21.467 -10.113 -18.511
240 H THR 35 H THR 35 17.181 -8.746 -21.250
241 HA THR 35 HA THR 35 16.637 -10.792 -23.300
242 HB THR 35 HB THR 35 14.559 -9.745 -21.396
243 HG1 THR 35 HG1 THR 35 15.422 -10.869 -19.832
244 HG21 THR 35 HG21 THR 35 14.659 -11.685 -23.511
245 HG22 THR 35 HG22 THR 35 13.270 -11.125 -22.579
246 HG23 THR 35 HG23 THR 35 14.240 -12.475 -21.991
247 H GLY 36 H GLY 36 17.314 -8.803 -24.667
248 HA2 GLY 36 HA2 GLY 36 16.054 -7.809 -26.506
249 HA3 GLY 36 HA3 GLY 36 14.843 -7.328 -25.328
250 H GLY 37 H GLY 37 18.025 -6.657 -26.622
251 HA2 GLY 37 HA2 GLY 37 18.199 -4.210 -25.011
252 HA3 GLY 37 HA3 GLY 37 19.504 -4.920 -25.949
253 H LYS 38 H LYS 38 18.172 -2.184 -25.849
254 HA LYS 38 HA LYS 38 18.300 -1.711 -28.684
255 HB2 LYS 38 HB2 LYS 38 16.054 -0.652 -28.818
256 HB3 LYS 38 HB3 LYS 38 15.990 -2.392 -28.569
257 HG2 LYS 38 HG2 LYS 38 15.887 -0.611 -26.190
258 HG3 LYS 38 HG3 LYS 38 14.452 -0.760 -27.207
259 HD2 LYS 38 HD2 LYS 38 14.804 -3.295 -26.983
260 HD3 LYS 38 HD3 LYS 38 15.882 -2.889 -25.646
261 HE2 LYS 38 HE2 LYS 38 13.962 -1.545 -24.688
262 HE3 LYS 38 HE3 LYS 38 12.940 -2.311 -25.903
263 HZ1 LYS 38 HZ1 LYS 38 13.834 -4.484 -24.959
264 HZ2 LYS 38 HZ2 LYS 38 12.709 -3.636 -24.022
265 HZ3 LYS 38 HZ3 LYS 38 14.355 -3.569 -23.634
266 H ALA 39 H ALA 39 18.426 0.528 -29.214
267 HA ALA 39 HA ALA 39 19.182 2.651 -28.886
268 HB1 ALA 39 HB1 ALA 39 16.846 2.655 -27.786
269 HB2 ALA 39 HB2 ALA 39 17.737 2.711 -26.265
270 HB3 ALA 39 HB3 ALA 39 17.944 3.995 -27.455
271 H GLY 40 H GLY 40 20.841 0.503 -27.934
272 HA2 GLY 40 HA2 GLY 40 22.020 1.550 -25.466
273 HA3 GLY 40 HA3 GLY 40 22.414 0.019 -26.234
274 H TRP 41 H TRP 41 22.240 2.954 -28.093
275 HA TRP 41 HA TRP 41 25.182 2.976 -28.263
276 HB2 TRP 41 HB2 TRP 41 24.975 3.623 -30.619
277 HB3 TRP 41 HB3 TRP 41 24.187 2.077 -30.319
278 HD1 TRP 41 HD1 TRP 41 21.390 2.278 -29.996
279 HE1 TRP 41 HE1 TRP 41 19.753 3.745 -31.334
280 HE3 TRP 41 HE3 TRP 41 24.702 5.696 -31.861
281 HZ2 TRP 41 HZ2 TRP 41 19.852 6.046 -32.966
282 HZ3 TRP 41 HZ3 TRP 41 23.850 7.499 -33.303
283 HH2 TRP 41 HH2 TRP 41 21.475 7.668 -33.843
284 H LYS 42 H LYS 42 22.212 4.866 -28.365
285 HA LYS 42 HA LYS 42 23.650 7.164 -27.330
286 HB2 LYS 42 HB2 LYS 42 23.850 7.545 -29.711
287 HB3 LYS 42 HB3 LYS 42 22.132 7.253 -29.942
288 HG2 LYS 42 HG2 LYS 42 21.607 9.254 -28.655
289 HG3 LYS 42 HG3 LYS 42 23.329 9.543 -28.395
290 HD2 LYS 42 HD2 LYS 42 22.338 9.236 -31.187
291 HD3 LYS 42 HD3 LYS 42 22.014 10.749 -30.338
292 HE2 LYS 42 HE2 LYS 42 24.561 10.624 -29.761
293 HE3 LYS 42 HE3 LYS 42 24.623 9.547 -31.155
294 HZ1 LYS 42 HZ1 LYS 42 24.990 11.568 -32.128
295 HZ2 LYS 42 HZ2 LYS 42 23.998 12.412 -31.051
296 HZ3 LYS 42 HZ3 LYS 42 23.308 11.473 -32.277
297 H GLY 43 H GLY 43 20.479 6.705 -28.897
298 HA2 GLY 43 HA2 GLY 43 18.354 7.127 -28.132
299 HA3 GLY 43 HA3 GLY 43 18.917 6.402 -26.633
Start of MODEL 5
1 H1 LYS 1 H LYS 1 3.845 1.728 1.152
2 HA LYS 1 HA LYS 1 3.342 1.279 -1.523
3 HB2 LYS 1 HB2 LYS 1 5.186 2.698 -0.247
4 HB3 LYS 1 HB3 LYS 1 6.183 1.295 -0.611
5 HG2 LYS 1 HG2 LYS 1 4.599 2.597 -2.781
6 HG3 LYS 1 HG3 LYS 1 6.127 3.304 -2.249
7 HD2 LYS 1 HD2 LYS 1 6.965 0.812 -2.537
8 HD3 LYS 1 HD3 LYS 1 5.601 0.734 -3.654
9 HE2 LYS 1 HE2 LYS 1 7.715 2.875 -3.767
10 HE3 LYS 1 HE3 LYS 1 7.819 1.366 -4.672
11 HZ1 LYS 1 HZ1 LYS 1 5.686 1.939 -5.722
12 HZ2 LYS 1 HZ2 LYS 1 6.897 3.070 -6.060
13 HZ3 LYS 1 HZ3 LYS 1 5.699 3.430 -4.921
14 H TYR 2 H TYR 2 3.604 -0.369 -2.911
15 HA TYR 2 HA TYR 2 4.614 -2.896 -1.825
16 HB2 TYR 2 HB2 TYR 2 2.339 -2.881 -2.792
17 HB3 TYR 2 HB3 TYR 2 3.011 -2.381 -4.340
18 HD1 TYR 2 HD2 TYR 2 4.181 -4.958 -1.908
19 HD2 TYR 2 HD1 TYR 2 2.678 -4.149 -5.805
20 HE1 TYR 2 HE2 TYR 2 4.514 -7.317 -2.520
21 HE2 TYR 2 HE1 TYR 2 3.006 -6.505 -6.428
22 HH TYR 2 HH TYR 2 3.747 -8.932 -4.107
23 H TYR 3 H TYR 3 6.442 -3.807 -2.523
24 HA TYR 3 HA TYR 3 7.891 -2.472 -4.699
25 HB2 TYR 3 HB2 TYR 3 8.762 -4.110 -2.337
26 HB3 TYR 3 HB3 TYR 3 9.830 -3.900 -3.720
27 HD1 TYR 3 HD2 TYR 3 7.671 -1.783 -1.513
28 HD2 TYR 3 HD1 TYR 3 11.366 -2.191 -3.583
29 HE1 TYR 3 HE2 TYR 3 8.412 0.380 -0.606
30 HE2 TYR 3 HE1 TYR 3 12.117 -0.030 -2.681
31 HH TYR 3 HH TYR 3 10.999 2.087 -1.803
32 H GLY 4 H GLY 4 7.068 -5.716 -3.496
33 HA2 GLY 4 HA2 GLY 4 6.304 -6.888 -5.821
34 HA3 GLY 4 HA3 GLY 4 8.057 -6.996 -5.885
35 H ASN 5 H ASN 5 8.338 -7.302 -2.994
36 HA ASN 5 HA ASN 5 7.801 -10.155 -2.881
37 HB2 ASN 5 HB2 ASN 5 9.159 -8.568 -0.716
38 HB3 ASN 5 HB3 ASN 5 9.383 -10.261 -1.148
39 HD21 ASN 5 HD21 ASN 5 10.601 -7.174 -1.429
40 HD22 ASN 5 HD22 ASN 5 11.725 -7.446 -2.713
41 H GLY 6 H GLY 6 7.499 -7.560 -0.446
42 HA2 GLY 6 HA2 GLY 6 4.756 -7.911 0.037
43 HA3 GLY 6 HA3 GLY 6 5.643 -8.942 1.150
44 H VAL 7 H VAL 7 6.662 -5.782 -0.043
45 HA VAL 7 HA VAL 7 7.055 -4.871 2.670
46 HB VAL 7 HB VAL 7 7.426 -3.278 0.135
47 HG11 VAL 7 HG11 VAL 7 8.000 -2.851 2.988
48 HG12 VAL 7 HG12 VAL 7 9.307 -2.425 1.881
49 HG13 VAL 7 HG13 VAL 7 7.717 -1.683 1.698
50 HG21 VAL 7 HG21 VAL 7 8.813 -5.091 -0.264
51 HG22 VAL 7 HG22 VAL 7 9.892 -3.962 0.556
52 HG23 VAL 7 HG23 VAL 7 9.187 -5.312 1.446
53 H SER 8 H SER 8 6.125 -2.989 3.578
54 HA SER 8 HA SER 8 4.156 -1.403 2.391
55 HB2 SER 8 HB2 SER 8 2.178 -2.384 3.744
56 HB3 SER 8 HB3 SER 8 2.644 -3.192 2.247
57 HG SER 8 HG SER 8 2.512 -4.227 4.672
58 H CYS 9 H CYS 9 5.038 0.266 3.515
59 HA CYS 9 HA CYS 9 4.994 0.105 6.453
60 HB2 CYS 9 HB2 CYS 9 6.848 1.292 4.529
61 HB3 CYS 9 HB3 CYS 9 6.383 2.407 5.809
62 H ASN 10 H ASN 10 3.719 1.428 7.609
63 HA ASN 10 HA ASN 10 2.478 3.728 6.282
64 HB2 ASN 10 HB2 ASN 10 0.362 2.914 7.707
65 HB3 ASN 10 HB3 ASN 10 0.634 2.399 6.045
66 HD21 ASN 10 HD21 ASN 10 0.193 1.418 9.232
67 HD22 ASN 10 HD22 ASN 10 0.547 -0.261 9.030
68 H LYS 11 H LYS 11 1.982 2.111 9.411
69 HA LYS 11 HA LYS 11 3.349 4.236 10.824
70 HB2 LYS 11 HB2 LYS 11 0.366 3.831 11.029
71 HB3 LYS 11 HB3 LYS 11 1.301 4.656 12.269
72 HG2 LYS 11 HG2 LYS 11 2.060 6.267 10.528
73 HG3 LYS 11 HG3 LYS 11 0.944 5.493 9.401
74 HD2 LYS 11 HD2 LYS 11 -0.015 6.520 12.049
75 HD3 LYS 11 HD3 LYS 11 0.172 7.609 10.673
76 HE2 LYS 11 HE2 LYS 11 -1.349 5.053 10.368
77 HE3 LYS 11 HE3 LYS 11 -2.119 6.452 11.114
78 HZ1 LYS 11 HZ1 LYS 11 -1.687 7.733 9.138
79 HZ2 LYS 11 HZ2 LYS 11 -2.523 6.324 8.717
80 HZ3 LYS 11 HZ3 LYS 11 -0.861 6.441 8.424
81 H LYS 12 H LYS 12 0.991 1.609 11.346
82 HA LYS 12 HA LYS 12 1.764 0.851 13.884
83 HB2 LYS 12 HB2 LYS 12 0.346 -0.412 11.645
84 HB3 LYS 12 HB3 LYS 12 1.125 -1.555 12.730
85 HG2 LYS 12 HG2 LYS 12 -0.825 -1.395 13.837
86 HG3 LYS 12 HG3 LYS 12 -0.063 0.037 14.533
87 HD2 LYS 12 HD2 LYS 12 -1.181 1.467 12.961
88 HD3 LYS 12 HD3 LYS 12 -1.809 0.076 12.074
89 HE2 LYS 12 HE2 LYS 12 -2.833 -0.519 14.434
90 HE3 LYS 12 HE3 LYS 12 -2.663 1.217 14.689
91 HZ1 LYS 12 HZ1 LYS 12 -3.865 1.425 12.465
92 HZ2 LYS 12 HZ2 LYS 12 -4.784 0.971 13.810
93 HZ3 LYS 12 HZ3 LYS 12 -4.305 -0.194 12.681
94 H GLY 13 H GLY 13 2.803 -0.791 10.883
95 HA2 GLY 13 HA2 GLY 13 5.537 -0.830 11.505
96 HA3 GLY 13 HA3 GLY 13 4.822 -2.314 12.118
97 H CYS 14 H CYS 14 6.751 -2.551 10.263
98 HA CYS 14 HA CYS 14 5.265 -3.608 7.982
99 HB2 CYS 14 HB2 CYS 14 7.130 -2.701 6.470
100 HB3 CYS 14 HB3 CYS 14 5.914 -1.557 7.030
101 H SER 15 H SER 15 7.157 -4.636 6.448
102 HA SER 15 HA SER 15 9.179 -5.967 8.049
103 HB2 SER 15 HB2 SER 15 6.750 -7.211 7.866
104 HB3 SER 15 HB3 SER 15 7.600 -7.900 6.483
105 HG SER 15 HG SER 15 9.261 -8.532 7.898
106 H VAL 16 H VAL 16 9.408 -4.128 5.950
107 HA VAL 16 HA VAL 16 9.673 -5.043 3.383
108 HB VAL 16 HB VAL 16 10.073 -2.741 3.795
109 HG11 VAL 16 HG11 VAL 16 12.494 -3.518 5.418
110 HG12 VAL 16 HG12 VAL 16 11.894 -1.883 5.128
111 HG13 VAL 16 HG13 VAL 16 10.945 -3.014 6.094
112 HG21 VAL 16 HG21 VAL 16 12.717 -3.955 2.998
113 HG22 VAL 16 HG22 VAL 16 11.335 -3.748 1.923
114 HG23 VAL 16 HG23 VAL 16 12.139 -2.335 2.606
115 H ASP 17 H ASP 17 10.559 -6.906 2.763
116 HA ASP 17 HA ASP 17 12.671 -8.204 4.143
117 HB2 ASP 17 HB2 ASP 17 10.820 -9.113 2.471
118 HB3 ASP 17 HB3 ASP 17 12.097 -8.852 1.287
119 H TRP 18 H TRP 18 14.371 -6.708 4.279
120 HA TRP 18 HA TRP 18 15.538 -5.564 1.920
121 HB2 TRP 18 HB2 TRP 18 16.328 -5.635 4.824
122 HB3 TRP 18 HB3 TRP 18 17.404 -4.969 3.598
123 HD1 TRP 18 HD1 TRP 18 15.027 -3.790 6.004
124 HE1 TRP 18 HE1 TRP 18 14.009 -1.522 5.340
125 HE3 TRP 18 HE3 TRP 18 16.380 -3.704 1.075
126 HZ2 TRP 18 HZ2 TRP 18 13.805 0.091 3.033
127 HZ3 TRP 18 HZ3 TRP 18 15.734 -1.763 -0.292
128 HH2 TRP 18 HH2 TRP 18 14.473 0.094 0.669
129 H GLY 19 H GLY 19 15.584 -7.927 1.038
130 HA2 GLY 19 HA2 GLY 19 18.357 -8.834 1.337
131 HA3 GLY 19 HA3 GLY 19 17.071 -10.008 1.570
132 H LYS 20 H LYS 20 15.308 -9.151 -0.437
133 HA LYS 20 HA LYS 20 16.863 -9.847 -2.840
134 HB2 LYS 20 HB2 LYS 20 14.592 -10.635 -3.706
135 HB3 LYS 20 HB3 LYS 20 15.345 -11.603 -2.446
136 HG2 LYS 20 HG2 LYS 20 13.471 -9.471 -1.596
137 HG3 LYS 20 HG3 LYS 20 12.792 -10.906 -2.366
138 HD2 LYS 20 HD2 LYS 20 14.455 -12.097 -0.646
139 HD3 LYS 20 HD3 LYS 20 14.147 -10.609 0.252
140 HE2 LYS 20 HE2 LYS 20 11.846 -11.031 0.379
141 HE3 LYS 20 HE3 LYS 20 11.907 -12.235 -0.907
142 HZ1 LYS 20 HZ1 LYS 20 13.460 -12.754 1.514
143 HZ2 LYS 20 HZ2 LYS 20 12.651 -13.837 0.498
144 HZ3 LYS 20 HZ3 LYS 20 11.779 -12.914 1.617
145 H ALA 21 H ALA 21 16.337 -7.149 -1.709
146 HA ALA 21 HA ALA 21 14.915 -6.005 -4.025
147 HB1 ALA 21 HB1 ALA 21 15.056 -4.884 -1.228
148 HB2 ALA 21 HB2 ALA 21 14.244 -4.136 -2.605
149 HB3 ALA 21 HB3 ALA 21 13.656 -5.669 -1.960
150 H ILE 22 H ILE 22 17.612 -5.699 -1.784
151 HA ILE 22 HA ILE 22 18.710 -3.309 -2.716
152 HB ILE 22 HB ILE 22 20.192 -5.713 -1.645
153 HG12 ILE 22 HG12 ILE 22 18.461 -4.942 -0.100
154 HG13 ILE 22 HG13 ILE 22 20.059 -4.544 0.523
155 HG21 ILE 22 HG21 ILE 22 21.819 -4.341 -2.605
156 HG22 ILE 22 HG22 ILE 22 20.993 -2.862 -2.117
157 HG23 ILE 22 HG23 ILE 22 21.805 -3.858 -0.909
158 HD11 ILE 22 HD11 ILE 22 18.525 -2.715 0.879
159 HD12 ILE 22 HD12 ILE 22 19.776 -2.244 -0.272
160 HD13 ILE 22 HD13 ILE 22 18.159 -2.655 -0.845
161 H GLY 23 H GLY 23 18.849 -6.552 -4.018
162 HA2 GLY 23 HA2 GLY 23 20.937 -5.906 -5.917
163 HA3 GLY 23 HA3 GLY 23 20.049 -7.419 -5.813
164 H ILE 24 H ILE 24 17.761 -5.084 -5.776
165 HA ILE 24 HA ILE 24 17.329 -5.346 -8.668
166 HB ILE 24 HB ILE 24 15.376 -4.616 -6.483
167 HG12 ILE 24 HG12 ILE 24 16.093 -6.987 -6.484
168 HG13 ILE 24 HG13 ILE 24 14.393 -6.803 -6.903
169 HG21 ILE 24 HG21 ILE 24 13.990 -5.345 -8.786
170 HG22 ILE 24 HG22 ILE 24 14.140 -3.727 -8.101
171 HG23 ILE 24 HG23 ILE 24 15.270 -4.267 -9.343
172 HD11 ILE 24 HD11 ILE 24 14.700 -7.843 -8.830
173 HD12 ILE 24 HD12 ILE 24 16.029 -6.767 -9.265
174 HD13 ILE 24 HD13 ILE 24 16.342 -8.211 -8.302
175 H ILE 25 H ILE 25 16.965 -2.937 -6.065
176 HA ILE 25 HA ILE 25 16.446 -0.718 -7.650
177 HB ILE 25 HB ILE 25 17.991 -0.783 -5.055
178 HG12 ILE 25 HG12 ILE 25 15.040 -0.333 -5.551
179 HG13 ILE 25 HG13 ILE 25 15.739 -1.834 -4.953
180 HG21 ILE 25 HG21 ILE 25 16.553 1.483 -6.429
181 HG22 ILE 25 HG22 ILE 25 17.261 1.550 -4.817
182 HG23 ILE 25 HG23 ILE 25 18.297 1.320 -6.225
183 HD11 ILE 25 HD11 ILE 25 16.734 -0.108 -3.153
184 HD12 ILE 25 HD12 ILE 25 15.223 0.703 -3.563
185 HD13 ILE 25 HD13 ILE 25 15.198 -0.954 -2.961
186 H GLY 26 H GLY 26 19.466 -2.338 -6.977
187 HA2 GLY 26 HA2 GLY 26 20.977 -0.201 -8.301
188 HA3 GLY 26 HA3 GLY 26 21.665 -1.542 -7.397
189 H ASN 27 H ASN 27 19.172 -2.442 -9.527
190 HA ASN 27 HA ASN 27 21.137 -3.223 -11.577
191 HB2 ASN 27 HB2 ASN 27 19.091 -4.868 -10.156
192 HB3 ASN 27 HB3 ASN 27 19.421 -5.230 -11.848
193 HD21 ASN 27 HD21 ASN 27 21.287 -4.417 -8.936
194 HD22 ASN 27 HD22 ASN 27 22.462 -5.668 -9.136
195 H ASN 28 H ASN 28 17.797 -2.396 -10.831
196 HA ASN 28 HA ASN 28 16.824 -2.481 -13.487
197 HB2 ASN 28 HB2 ASN 28 14.839 -1.659 -12.634
198 HB3 ASN 28 HB3 ASN 28 15.559 -2.353 -11.184
199 HD21 ASN 28 HD21 ASN 28 15.920 -1.079 -9.483
200 HD22 ASN 28 HD22 ASN 28 15.702 0.635 -9.464
201 H ALA 29 H ALA 29 18.609 -0.119 -11.682
202 HA ALA 29 HA ALA 29 18.231 1.860 -13.825
203 HB1 ALA 29 HB1 ALA 29 19.145 2.156 -10.973
204 HB2 ALA 29 HB2 ALA 29 19.270 3.450 -12.166
205 HB3 ALA 29 HB3 ALA 29 17.688 2.809 -11.725
206 H ALA 30 H ALA 30 20.029 -0.557 -13.804
207 HA ALA 30 HA ALA 30 22.597 0.838 -14.195
208 HB1 ALA 30 HB1 ALA 30 21.963 -1.542 -12.747
209 HB2 ALA 30 HB2 ALA 30 23.052 -1.939 -14.076
210 HB3 ALA 30 HB3 ALA 30 23.511 -0.710 -12.897
211 H ALA 31 H ALA 31 20.254 -1.374 -15.559
212 HA ALA 31 HA ALA 31 21.691 -2.291 -17.774
213 HB1 ALA 31 HB1 ALA 31 19.073 -2.522 -16.808
214 HB2 ALA 31 HB2 ALA 31 18.929 -1.893 -18.449
215 HB3 ALA 31 HB3 ALA 31 19.804 -3.395 -18.154
216 H ASN 32 H ASN 32 20.242 0.787 -17.127
217 HA ASN 32 HA ASN 32 20.310 1.627 -19.903
218 HB2 ASN 32 HB2 ASN 32 19.499 2.963 -17.329
219 HB3 ASN 32 HB3 ASN 32 19.662 3.879 -18.824
220 HD21 ASN 32 HD21 ASN 32 17.322 3.215 -17.125
221 HD22 ASN 32 HD22 ASN 32 16.177 2.495 -18.201
222 H LEU 33 H LEU 33 22.280 1.837 -17.055
223 HA LEU 33 HA LEU 33 23.896 4.028 -17.886
224 HB2 LEU 33 HB2 LEU 33 24.165 1.874 -15.827
225 HB3 LEU 33 HB3 LEU 33 25.520 2.943 -16.181
226 HG LEU 33 HG LEU 33 22.815 3.953 -15.329
227 HD11 LEU 33 HD11 LEU 33 25.115 3.838 -13.449
228 HD12 LEU 33 HD12 LEU 33 24.164 2.375 -13.708
229 HD13 LEU 33 HD13 LEU 33 23.382 3.843 -13.120
230 HD21 LEU 33 HD21 LEU 33 25.438 5.142 -15.962
231 HD22 LEU 33 HD22 LEU 33 24.624 5.778 -14.532
232 HD23 LEU 33 HD23 LEU 33 23.817 5.823 -16.100
233 H THR 34 H THR 34 24.707 0.560 -17.637
234 HA THR 34 HA THR 34 27.106 0.651 -19.022
235 HB THR 34 HB THR 34 26.554 -1.341 -17.829
236 HG1 THR 34 HG1 THR 34 26.341 -2.231 -20.498
237 HG21 THR 34 HG21 THR 34 24.003 -1.013 -19.070
238 HG22 THR 34 HG22 THR 34 24.464 -2.107 -17.767
239 HG23 THR 34 HG23 THR 34 24.616 -2.622 -19.446
240 H THR 35 H THR 35 23.849 0.716 -20.225
241 HA THR 35 HA THR 35 22.966 0.923 -22.314
242 HB THR 35 HB THR 35 25.648 1.755 -23.371
243 HG1 THR 35 HG1 THR 35 25.513 3.672 -22.320
244 HG21 THR 35 HG21 THR 35 23.251 3.367 -23.876
245 HG22 THR 35 HG22 THR 35 23.146 1.710 -24.469
246 HG23 THR 35 HG23 THR 35 24.463 2.755 -25.001
247 H GLY 36 H GLY 36 24.189 -1.618 -21.547
248 HA2 GLY 36 HA2 GLY 36 25.015 -2.612 -24.202
249 HA3 GLY 36 HA3 GLY 36 25.483 -3.350 -22.678
250 H GLY 37 H GLY 37 22.237 -2.247 -22.930
251 HA2 GLY 37 HA2 GLY 37 21.358 -5.053 -23.205
252 HA3 GLY 37 HA3 GLY 37 20.515 -3.840 -22.253
253 H LYS 38 H LYS 38 21.018 -5.174 -25.400
254 HA LYS 38 HA LYS 38 18.560 -4.114 -26.361
255 HB2 LYS 38 HB2 LYS 38 20.167 -2.154 -26.587
256 HB3 LYS 38 HB3 LYS 38 21.011 -3.106 -27.802
257 HG2 LYS 38 HG2 LYS 38 19.631 -1.837 -29.113
258 HG3 LYS 38 HG3 LYS 38 18.642 -3.282 -28.889
259 HD2 LYS 38 HD2 LYS 38 17.454 -2.164 -27.050
260 HD3 LYS 38 HD3 LYS 38 18.427 -0.715 -27.315
261 HE2 LYS 38 HE2 LYS 38 16.850 -1.910 -29.559
262 HE3 LYS 38 HE3 LYS 38 16.056 -0.884 -28.365
263 HZ1 LYS 38 HZ1 LYS 38 18.514 0.051 -29.682
264 HZ2 LYS 38 HZ2 LYS 38 17.244 0.953 -29.022
265 HZ3 LYS 38 HZ3 LYS 38 17.038 0.159 -30.502
266 H ALA 39 H ALA 39 17.851 -5.952 -27.233
267 HA ALA 39 HA ALA 39 19.691 -7.563 -28.859
268 HB1 ALA 39 HB1 ALA 39 17.988 -9.353 -28.617
269 HB2 ALA 39 HB2 ALA 39 18.658 -8.804 -27.080
270 HB3 ALA 39 HB3 ALA 39 17.054 -8.272 -27.584
271 H GLY 40 H GLY 40 18.709 -5.184 -29.988
272 HA2 GLY 40 HA2 GLY 40 17.977 -4.585 -32.102
273 HA3 GLY 40 HA3 GLY 40 17.486 -6.252 -32.367
274 H TRP 41 H TRP 41 15.507 -6.935 -31.090
275 HA TRP 41 HA TRP 41 13.569 -4.714 -31.046
276 HB2 TRP 41 HB2 TRP 41 11.862 -6.266 -31.819
277 HB3 TRP 41 HB3 TRP 41 13.220 -6.268 -32.940
278 HD1 TRP 41 HD1 TRP 41 14.977 -8.430 -32.618
279 HE1 TRP 41 HE1 TRP 41 14.402 -10.878 -32.069
280 HE3 TRP 41 HE3 TRP 41 10.302 -7.748 -30.665
281 HZ2 TRP 41 HZ2 TRP 41 12.252 -12.328 -30.955
282 HZ3 TRP 41 HZ3 TRP 41 9.053 -9.717 -29.880
283 HH2 TRP 41 HH2 TRP 41 10.009 -11.959 -30.024
284 H LYS 42 H LYS 42 15.075 -5.479 -28.789
285 HA LYS 42 HA LYS 42 14.855 -6.012 -26.588
286 HB2 LYS 42 HB2 LYS 42 12.007 -5.417 -27.357
287 HB3 LYS 42 HB3 LYS 42 12.433 -5.878 -25.714
288 HG2 LYS 42 HG2 LYS 42 12.539 -3.621 -25.508
289 HG3 LYS 42 HG3 LYS 42 14.202 -3.937 -26.009
290 HD2 LYS 42 HD2 LYS 42 13.542 -2.175 -27.386
291 HD3 LYS 42 HD3 LYS 42 13.317 -3.599 -28.405
292 HE2 LYS 42 HE2 LYS 42 10.932 -3.616 -27.833
293 HE3 LYS 42 HE3 LYS 42 11.165 -2.184 -26.831
294 HZ1 LYS 42 HZ1 LYS 42 11.728 -0.907 -28.742
295 HZ2 LYS 42 HZ2 LYS 42 10.286 -1.721 -29.088
296 HZ3 LYS 42 HZ3 LYS 42 11.746 -2.274 -29.740
297 H GLY 43 H GLY 43 14.790 -8.165 -28.601
298 HA2 GLY 43 HA2 GLY 43 12.948 -10.173 -27.983
299 HA3 GLY 43 HA3 GLY 43 14.555 -10.447 -28.640
Start of MODEL 6
1 H1 LYS 1 H LYS 1 1.239 -2.588 3.253
2 HA LYS 1 HA LYS 1 0.222 -5.323 3.191
3 HB2 LYS 1 HB2 LYS 1 -0.017 -3.561 1.296
4 HB3 LYS 1 HB3 LYS 1 1.652 -3.970 0.922
5 HG2 LYS 1 HG2 LYS 1 0.906 -6.372 0.768
6 HG3 LYS 1 HG3 LYS 1 -0.752 -5.771 0.847
7 HD2 LYS 1 HD2 LYS 1 1.183 -4.680 -1.165
8 HD3 LYS 1 HD3 LYS 1 0.316 -6.187 -1.470
9 HE2 LYS 1 HE2 LYS 1 -1.174 -3.742 -0.607
10 HE3 LYS 1 HE3 LYS 1 -0.682 -3.928 -2.290
11 HZ1 LYS 1 HZ1 LYS 1 -2.717 -5.348 -0.787
12 HZ2 LYS 1 HZ2 LYS 1 -1.785 -6.304 -1.824
13 HZ3 LYS 1 HZ3 LYS 1 -2.646 -4.984 -2.437
14 H TYR 2 H TYR 2 1.575 -7.083 2.455
15 HA TYR 2 HA TYR 2 4.367 -6.749 3.326
16 HB2 TYR 2 HB2 TYR 2 3.114 -8.316 4.707
17 HB3 TYR 2 HB3 TYR 2 2.630 -9.226 3.280
18 HD1 TYR 2 HD2 TYR 2 5.679 -8.126 5.127
19 HD2 TYR 2 HD1 TYR 2 3.892 -11.058 2.614
20 HE1 TYR 2 HE2 TYR 2 7.684 -9.532 5.352
21 HE2 TYR 2 HE1 TYR 2 5.892 -12.473 2.833
22 HH TYR 2 HH TYR 2 8.721 -11.382 4.676
23 H TYR 3 H TYR 3 5.229 -6.115 1.351
24 HA TYR 3 HA TYR 3 4.735 -7.355 -1.118
25 HB2 TYR 3 HB2 TYR 3 6.919 -5.611 -0.046
26 HB3 TYR 3 HB3 TYR 3 7.128 -6.381 -1.615
27 HD1 TYR 3 HD2 TYR 3 4.178 -4.794 0.047
28 HD2 TYR 3 HD1 TYR 3 6.832 -4.809 -3.279
29 HE1 TYR 3 HE2 TYR 3 2.864 -2.999 -1.003
30 HE2 TYR 3 HE1 TYR 3 5.527 -3.013 -4.337
31 HH TYR 3 HH TYR 3 3.505 -1.924 -4.274
32 H GLY 4 H GLY 4 7.132 -8.002 1.396
33 HA2 GLY 4 HA2 GLY 4 7.789 -10.320 1.752
34 HA3 GLY 4 HA3 GLY 4 7.757 -10.531 0.007
35 H ASN 5 H ASN 5 9.054 -7.617 0.231
36 HA ASN 5 HA ASN 5 11.773 -8.671 0.098
37 HB2 ASN 5 HB2 ASN 5 12.358 -6.573 -0.972
38 HB3 ASN 5 HB3 ASN 5 10.923 -7.240 -1.746
39 HD21 ASN 5 HD21 ASN 5 12.132 -4.783 0.417
40 HD22 ASN 5 HD22 ASN 5 10.762 -3.736 0.307
41 H GLY 6 H GLY 6 10.167 -8.108 2.621
42 HA2 GLY 6 HA2 GLY 6 11.147 -7.720 4.748
43 HA3 GLY 6 HA3 GLY 6 12.329 -6.669 3.982
44 H VAL 7 H VAL 7 8.907 -6.439 3.310
45 HA VAL 7 HA VAL 7 8.902 -3.793 4.595
46 HB VAL 7 HB VAL 7 6.889 -4.766 2.578
47 HG11 VAL 7 HG11 VAL 7 7.424 -2.270 4.013
48 HG12 VAL 7 HG12 VAL 7 7.160 -2.072 2.280
49 HG13 VAL 7 HG13 VAL 7 5.935 -2.859 3.276
50 HG21 VAL 7 HG21 VAL 7 8.531 -4.787 1.063
51 HG22 VAL 7 HG22 VAL 7 8.546 -3.031 1.229
52 HG23 VAL 7 HG23 VAL 7 9.672 -4.014 2.165
53 H SER 8 H SER 8 6.994 -3.104 5.723
54 HA SER 8 HA SER 8 5.477 -5.352 6.879
55 HB2 SER 8 HB2 SER 8 6.652 -4.570 8.710
56 HB3 SER 8 HB3 SER 8 6.681 -2.910 8.117
57 HG SER 8 HG SER 8 4.815 -2.540 9.043
58 H CYS 9 H CYS 9 5.036 -1.834 7.052
59 HA CYS 9 HA CYS 9 3.183 -0.541 6.749
60 HB2 CYS 9 HB2 CYS 9 3.243 -2.315 4.332
61 HB3 CYS 9 HB3 CYS 9 1.920 -1.174 4.548
62 H ASN 10 H ASN 10 2.680 -2.325 8.685
63 HA ASN 10 HA ASN 10 0.618 -4.135 8.422
64 HB2 ASN 10 HB2 ASN 10 0.059 -3.382 10.856
65 HB3 ASN 10 HB3 ASN 10 1.619 -4.127 10.522
66 HD21 ASN 10 HD21 ASN 10 0.012 -1.434 11.756
67 HD22 ASN 10 HD22 ASN 10 1.387 -0.415 11.999
68 H LYS 11 H LYS 11 0.259 -0.730 9.431
69 HA LYS 11 HA LYS 11 -2.208 -0.523 7.921
70 HB2 LYS 11 HB2 LYS 11 -2.179 -0.078 10.912
71 HB3 LYS 11 HB3 LYS 11 -3.538 0.228 9.839
72 HG2 LYS 11 HG2 LYS 11 -3.593 -2.178 9.283
73 HG3 LYS 11 HG3 LYS 11 -2.301 -2.447 10.455
74 HD2 LYS 11 HD2 LYS 11 -4.933 -1.164 11.163
75 HD3 LYS 11 HD3 LYS 11 -4.641 -2.901 11.282
76 HE2 LYS 11 HE2 LYS 11 -2.634 -1.156 12.561
77 HE3 LYS 11 HE3 LYS 11 -4.233 -1.168 13.304
78 HZ1 LYS 11 HZ1 LYS 11 -2.200 -3.114 13.464
79 HZ2 LYS 11 HZ2 LYS 11 -3.573 -3.809 12.763
80 HZ3 LYS 11 HZ3 LYS 11 -3.682 -3.062 14.278
81 H LYS 12 H LYS 12 -0.275 1.114 10.431
82 HA LYS 12 HA LYS 12 -0.201 3.490 8.706
83 HB2 LYS 12 HB2 LYS 12 -1.017 3.331 11.590
84 HB3 LYS 12 HB3 LYS 12 -0.284 4.799 10.956
85 HG2 LYS 12 HG2 LYS 12 -2.427 5.351 10.558
86 HG3 LYS 12 HG3 LYS 12 -2.171 4.401 9.092
87 HD2 LYS 12 HD2 LYS 12 -3.318 2.562 9.936
88 HD3 LYS 12 HD3 LYS 12 -3.127 3.089 11.610
89 HE2 LYS 12 HE2 LYS 12 -4.620 5.038 11.044
90 HE3 LYS 12 HE3 LYS 12 -4.944 4.244 9.504
91 HZ1 LYS 12 HZ1 LYS 12 -6.674 3.639 10.966
92 HZ2 LYS 12 HZ2 LYS 12 -5.605 3.262 12.221
93 HZ3 LYS 12 HZ3 LYS 12 -5.677 2.277 10.847
94 H GLY 13 H GLY 13 1.660 1.219 9.570
95 HA2 GLY 13 HA2 GLY 13 3.925 2.985 10.209
96 HA3 GLY 13 HA3 GLY 13 3.678 1.522 11.151
97 H CYS 14 H CYS 14 5.105 2.860 8.399
98 HA CYS 14 HA CYS 14 5.571 0.202 7.226
99 HB2 CYS 14 HB2 CYS 14 5.858 2.956 6.007
100 HB3 CYS 14 HB3 CYS 14 6.278 1.454 5.190
101 H SER 15 H SER 15 7.669 -0.457 6.704
102 HA SER 15 HA SER 15 9.922 1.205 7.450
103 HB2 SER 15 HB2 SER 15 10.791 -0.804 8.886
104 HB3 SER 15 HB3 SER 15 9.674 0.357 9.603
105 HG SER 15 HG SER 15 9.090 -2.220 8.583
106 H VAL 16 H VAL 16 9.069 0.153 4.980
107 HA VAL 16 HA VAL 16 10.129 -2.236 4.135
108 HB VAL 16 HB VAL 16 8.830 -0.959 2.602
109 HG11 VAL 16 HG11 VAL 16 11.003 1.130 2.581
110 HG12 VAL 16 HG12 VAL 16 9.457 1.188 1.731
111 HG13 VAL 16 HG13 VAL 16 9.499 1.265 3.492
112 HG21 VAL 16 HG21 VAL 16 11.611 -0.876 1.459
113 HG22 VAL 16 HG22 VAL 16 10.734 -2.383 1.719
114 HG23 VAL 16 HG23 VAL 16 10.090 -1.169 0.615
115 H ASP 17 H ASP 17 12.095 -3.005 4.548
116 HA ASP 17 HA ASP 17 14.375 -1.353 4.977
117 HB2 ASP 17 HB2 ASP 17 13.854 -3.749 5.872
118 HB3 ASP 17 HB3 ASP 17 14.570 -4.282 4.353
119 H TRP 18 H TRP 18 14.606 -0.106 3.097
120 HA TRP 18 HA TRP 18 14.921 -1.326 0.522
121 HB2 TRP 18 HB2 TRP 18 15.319 1.470 1.568
122 HB3 TRP 18 HB3 TRP 18 15.742 1.034 -0.085
123 HD1 TRP 18 HD1 TRP 18 13.017 2.553 1.696
124 HE1 TRP 18 HE1 TRP 18 10.786 2.325 0.432
125 HE3 TRP 18 HE3 TRP 18 14.338 -1.097 -1.631
126 HZ2 TRP 18 HZ2 TRP 18 9.727 0.799 -1.693
127 HZ3 TRP 18 HZ3 TRP 18 12.657 -1.886 -3.245
128 HH2 TRP 18 HH2 TRP 18 10.400 -0.956 -3.274
129 H GLY 19 H GLY 19 16.604 -2.854 1.482
130 HA2 GLY 19 HA2 GLY 19 19.237 -1.775 0.795
131 HA3 GLY 19 HA3 GLY 19 19.049 -2.500 2.385
132 H LYS 20 H LYS 20 17.343 -4.624 1.709
133 HA LYS 20 HA LYS 20 19.278 -6.417 0.516
134 HB2 LYS 20 HB2 LYS 20 16.644 -6.796 1.917
135 HB3 LYS 20 HB3 LYS 20 17.416 -8.126 1.065
136 HG2 LYS 20 HG2 LYS 20 19.469 -7.638 2.484
137 HG3 LYS 20 HG3 LYS 20 18.406 -6.627 3.467
138 HD2 LYS 20 HD2 LYS 20 18.277 -8.642 4.579
139 HD3 LYS 20 HD3 LYS 20 16.889 -8.755 3.494
140 HE2 LYS 20 HE2 LYS 20 17.935 -10.277 2.104
141 HE3 LYS 20 HE3 LYS 20 19.551 -9.786 2.612
142 HZ1 LYS 20 HZ1 LYS 20 18.340 -10.742 4.883
143 HZ2 LYS 20 HZ2 LYS 20 19.518 -11.530 3.959
144 HZ3 LYS 20 HZ3 LYS 20 17.878 -11.828 3.671
145 H ALA 21 H ALA 21 16.322 -4.836 -0.365
146 HA ALA 21 HA ALA 21 15.785 -6.553 -2.622
147 HB1 ALA 21 HB1 ALA 21 14.575 -3.884 -1.910
148 HB2 ALA 21 HB2 ALA 21 13.963 -5.026 -3.107
149 HB3 ALA 21 HB3 ALA 21 13.961 -5.456 -1.397
150 H ILE 22 H ILE 22 17.510 -3.601 -2.001
151 HA ILE 22 HA ILE 22 17.596 -2.422 -4.499
152 HB ILE 22 HB ILE 22 19.884 -2.606 -2.536
153 HG12 ILE 22 HG12 ILE 22 17.885 -1.731 -1.460
154 HG13 ILE 22 HG13 ILE 22 19.039 -0.426 -1.715
155 HG21 ILE 22 HG21 ILE 22 19.611 -1.337 -5.111
156 HG22 ILE 22 HG22 ILE 22 19.926 -0.149 -3.847
157 HG23 ILE 22 HG23 ILE 22 21.035 -1.500 -4.084
158 HD11 ILE 22 HD11 ILE 22 16.920 0.434 -2.265
159 HD12 ILE 22 HD12 ILE 22 17.741 0.142 -3.799
160 HD13 ILE 22 HD13 ILE 22 16.511 -0.985 -3.229
161 H GLY 23 H GLY 23 19.698 -4.983 -3.207
162 HA2 GLY 23 HA2 GLY 23 21.469 -5.247 -5.312
163 HA3 GLY 23 HA3 GLY 23 20.953 -6.577 -4.286
164 H ILE 24 H ILE 24 18.160 -6.397 -5.084
165 HA ILE 24 HA ILE 24 18.361 -7.960 -7.505
166 HB ILE 24 HB ILE 24 15.926 -7.202 -5.886
167 HG12 ILE 24 HG12 ILE 24 16.195 -9.796 -5.399
168 HG13 ILE 24 HG13 ILE 24 17.885 -9.452 -5.751
169 HG21 ILE 24 HG21 ILE 24 16.249 -8.542 -8.440
170 HG22 ILE 24 HG22 ILE 24 15.388 -9.533 -7.264
171 HG23 ILE 24 HG23 ILE 24 14.792 -7.923 -7.665
172 HD11 ILE 24 HD11 ILE 24 16.448 -9.026 -3.349
173 HD12 ILE 24 HD12 ILE 24 18.151 -8.717 -3.689
174 HD13 ILE 24 HD13 ILE 24 16.951 -7.457 -3.978
175 H ILE 25 H ILE 25 17.068 -4.835 -6.521
176 HA ILE 25 HA ILE 25 15.690 -4.228 -8.901
177 HB ILE 25 HB ILE 25 16.973 -2.325 -6.937
178 HG12 ILE 25 HG12 ILE 25 14.065 -3.094 -7.080
179 HG13 ILE 25 HG13 ILE 25 15.212 -4.013 -6.111
180 HG21 ILE 25 HG21 ILE 25 15.001 -0.878 -7.881
181 HG22 ILE 25 HG22 ILE 25 16.542 -0.963 -8.731
182 HG23 ILE 25 HG23 ILE 25 15.178 -1.934 -9.282
183 HD11 ILE 25 HD11 ILE 25 14.847 -2.593 -4.460
184 HD12 ILE 25 HD12 ILE 25 15.612 -1.332 -5.427
185 HD13 ILE 25 HD13 ILE 25 13.866 -1.563 -5.501
186 H GLY 26 H GLY 26 19.031 -3.660 -7.887
187 HA2 GLY 26 HA2 GLY 26 19.763 -2.099 -10.145
188 HA3 GLY 26 HA3 GLY 26 20.870 -2.912 -9.048
189 H ASN 27 H ASN 27 19.545 -5.529 -9.594
190 HA ASN 27 HA ASN 27 21.143 -6.212 -11.900
191 HB2 ASN 27 HB2 ASN 27 19.683 -7.713 -9.783
192 HB3 ASN 27 HB3 ASN 27 19.972 -8.538 -11.312
193 HD21 ASN 27 HD21 ASN 27 21.902 -6.247 -9.417
194 HD22 ASN 27 HD22 ASN 27 23.291 -7.266 -9.282
195 H ASN 28 H ASN 28 17.705 -6.280 -11.025
196 HA ASN 28 HA ASN 28 16.708 -7.400 -13.373
197 HB2 ASN 28 HB2 ASN 28 15.588 -5.675 -11.219
198 HB3 ASN 28 HB3 ASN 28 14.659 -5.821 -12.708
199 HD21 ASN 28 HD21 ASN 28 13.481 -6.709 -10.520
200 HD22 ASN 28 HD22 ASN 28 13.460 -8.436 -10.461
201 H ALA 29 H ALA 29 17.318 -4.003 -12.558
202 HA ALA 29 HA ALA 29 16.396 -3.009 -15.076
203 HB1 ALA 29 HB1 ALA 29 17.938 -1.772 -12.812
204 HB2 ALA 29 HB2 ALA 29 17.560 -0.891 -14.293
205 HB3 ALA 29 HB3 ALA 29 16.257 -1.502 -13.274
206 H ALA 30 H ALA 30 19.450 -4.113 -13.809
207 HA ALA 30 HA ALA 30 21.212 -2.943 -15.629
208 HB1 ALA 30 HB1 ALA 30 21.274 -5.212 -13.776
209 HB2 ALA 30 HB2 ALA 30 22.375 -5.356 -15.147
210 HB3 ALA 30 HB3 ALA 30 22.476 -3.957 -14.079
211 H ALA 31 H ALA 31 19.024 -5.629 -15.985
212 HA ALA 31 HA ALA 31 20.105 -6.969 -18.154
213 HB1 ALA 31 HB1 ALA 31 17.545 -6.813 -16.851
214 HB2 ALA 31 HB2 ALA 31 17.345 -6.944 -18.598
215 HB3 ALA 31 HB3 ALA 31 18.279 -8.158 -17.724
216 H ASN 32 H ASN 32 18.483 -3.885 -18.029
217 HA ASN 32 HA ASN 32 18.208 -3.721 -20.912
218 HB2 ASN 32 HB2 ASN 32 17.508 -1.889 -18.630
219 HB3 ASN 32 HB3 ASN 32 17.460 -1.324 -20.297
220 HD21 ASN 32 HD21 ASN 32 15.849 -3.030 -17.854
221 HD22 ASN 32 HD22 ASN 32 14.490 -3.555 -18.783
222 H LEU 33 H LEU 33 20.401 -2.692 -18.426
223 HA LEU 33 HA LEU 33 21.704 -0.617 -19.826
224 HB2 LEU 33 HB2 LEU 33 22.340 -2.336 -17.487
225 HB3 LEU 33 HB3 LEU 33 23.659 -1.441 -18.239
226 HG LEU 33 HG LEU 33 22.290 0.648 -17.885
227 HD11 LEU 33 HD11 LEU 33 20.723 0.046 -15.750
228 HD12 LEU 33 HD12 LEU 33 20.468 -1.363 -16.779
229 HD13 LEU 33 HD13 LEU 33 20.138 0.254 -17.401
230 HD21 LEU 33 HD21 LEU 33 24.192 -0.075 -16.448
231 HD22 LEU 33 HD22 LEU 33 23.027 -0.849 -15.374
232 HD23 LEU 33 HD23 LEU 33 22.986 0.900 -15.607
233 H THR 34 H THR 34 22.146 -4.101 -19.764
234 HA THR 34 HA THR 34 24.559 -4.009 -21.347
235 HB THR 34 HB THR 34 24.165 -5.810 -19.681
236 HG1 THR 34 HG1 THR 34 25.617 -6.516 -21.100
237 HG21 THR 34 HG21 THR 34 21.754 -6.105 -20.068
238 HG22 THR 34 HG22 THR 34 22.630 -7.629 -20.213
239 HG23 THR 34 HG23 THR 34 22.099 -6.776 -21.662
240 H THR 35 H THR 35 21.152 -4.245 -21.906
241 HA THR 35 HA THR 35 21.607 -4.954 -24.722
242 HB THR 35 HB THR 35 19.119 -5.301 -24.795
243 HG1 THR 35 HG1 THR 35 18.154 -4.411 -23.116
244 HG21 THR 35 HG21 THR 35 19.583 -7.452 -24.434
245 HG22 THR 35 HG22 THR 35 19.750 -7.172 -22.701
246 HG23 THR 35 HG23 THR 35 21.138 -6.955 -23.766
247 H GLY 36 H GLY 36 22.453 -2.551 -24.578
248 HA2 GLY 36 HA2 GLY 36 20.492 -0.481 -24.564
249 HA3 GLY 36 HA3 GLY 36 22.152 -0.334 -25.120
250 H GLY 37 H GLY 37 22.648 -1.046 -27.304
251 HA2 GLY 37 HA2 GLY 37 20.280 -1.045 -29.068
252 HA3 GLY 37 HA3 GLY 37 21.667 -0.020 -29.405
253 H LYS 38 H LYS 38 20.492 -2.107 -31.062
254 HA LYS 38 HA LYS 38 22.785 -3.953 -31.207
255 HB2 LYS 38 HB2 LYS 38 21.147 -5.438 -32.492
256 HB3 LYS 38 HB3 LYS 38 20.909 -5.299 -30.755
257 HG2 LYS 38 HG2 LYS 38 19.432 -3.416 -32.509
258 HG3 LYS 38 HG3 LYS 38 18.908 -5.101 -32.467
259 HD2 LYS 38 HD2 LYS 38 19.426 -3.735 -29.877
260 HD3 LYS 38 HD3 LYS 38 17.966 -3.296 -30.768
261 HE2 LYS 38 HE2 LYS 38 17.556 -5.828 -30.931
262 HE3 LYS 38 HE3 LYS 38 18.763 -5.966 -29.653
263 HZ1 LYS 38 HZ1 LYS 38 17.229 -5.439 -28.170
264 HZ2 LYS 38 HZ2 LYS 38 16.057 -5.375 -29.388
265 HZ3 LYS 38 HZ3 LYS 38 16.904 -3.976 -28.956
266 H ALA 39 H ALA 39 20.631 -1.826 -32.964
267 HA ALA 39 HA ALA 39 22.084 -2.323 -35.458
268 HB1 ALA 39 HB1 ALA 39 19.762 -0.453 -35.220
269 HB2 ALA 39 HB2 ALA 39 20.296 -1.405 -36.607
270 HB3 ALA 39 HB3 ALA 39 19.505 -2.198 -35.244
271 H GLY 40 H GLY 40 23.264 -0.885 -33.168
272 HA2 GLY 40 HA2 GLY 40 24.549 0.977 -32.782
273 HA3 GLY 40 HA3 GLY 40 24.610 1.139 -34.531
274 H TRP 41 H TRP 41 21.917 1.437 -32.225
275 HA TRP 41 HA TRP 41 21.707 4.280 -32.854
276 HB2 TRP 41 HB2 TRP 41 19.400 4.165 -33.500
277 HB3 TRP 41 HB3 TRP 41 20.286 3.010 -34.492
278 HD1 TRP 41 HD1 TRP 41 20.336 0.446 -32.845
279 HE1 TRP 41 HE1 TRP 41 18.185 -0.796 -32.172
280 HE3 TRP 41 HE3 TRP 41 17.006 4.301 -33.273
281 HZ2 TRP 41 HZ2 TRP 41 15.439 -0.219 -31.865
282 HZ3 TRP 41 HZ3 TRP 41 14.635 3.872 -32.772
283 HH2 TRP 41 HH2 TRP 41 13.870 1.659 -32.083
284 H LYS 42 H LYS 42 19.943 5.316 -31.490
285 HA LYS 42 HA LYS 42 20.337 4.479 -28.758
286 HB2 LYS 42 HB2 LYS 42 19.115 6.850 -30.109
287 HB3 LYS 42 HB3 LYS 42 18.717 6.533 -28.425
288 HG2 LYS 42 HG2 LYS 42 21.573 6.608 -29.295
289 HG3 LYS 42 HG3 LYS 42 20.688 8.109 -29.010
290 HD2 LYS 42 HD2 LYS 42 20.785 5.887 -26.985
291 HD3 LYS 42 HD3 LYS 42 22.007 7.159 -27.051
292 HE2 LYS 42 HE2 LYS 42 19.060 7.732 -26.855
293 HE3 LYS 42 HE3 LYS 42 20.086 7.517 -25.437
294 HZ1 LYS 42 HZ1 LYS 42 21.403 9.319 -27.054
295 HZ2 LYS 42 HZ2 LYS 42 20.589 9.654 -25.610
296 HZ3 LYS 42 HZ3 LYS 42 19.782 9.800 -27.089
297 H GLY 43 H GLY 43 19.214 2.474 -28.734
298 HA2 GLY 43 HA2 GLY 43 16.280 2.702 -28.946
299 HA3 GLY 43 HA3 GLY 43 17.185 1.206 -29.124
Start of MODEL 7
1 H1 LYS 1 H LYS 1 5.368 0.329 -1.819
2 HA LYS 1 HA LYS 1 3.678 -0.503 -4.068
3 HB2 LYS 1 HB2 LYS 1 5.315 1.524 -4.494
4 HB3 LYS 1 HB3 LYS 1 6.520 0.249 -4.612
5 HG2 LYS 1 HG2 LYS 1 5.662 -0.577 -6.554
6 HG3 LYS 1 HG3 LYS 1 4.019 -0.053 -6.182
7 HD2 LYS 1 HD2 LYS 1 4.618 1.402 -7.877
8 HD3 LYS 1 HD3 LYS 1 5.010 2.340 -6.434
9 HE2 LYS 1 HE2 LYS 1 7.359 1.498 -6.633
10 HE3 LYS 1 HE3 LYS 1 6.910 0.783 -8.181
11 HZ1 LYS 1 HZ1 LYS 1 6.602 3.669 -7.577
12 HZ2 LYS 1 HZ2 LYS 1 6.478 2.912 -9.084
13 HZ3 LYS 1 HZ3 LYS 1 7.980 3.019 -8.312
14 H TYR 2 H TYR 2 4.799 -2.254 -5.377
15 HA TYR 2 HA TYR 2 6.264 -4.035 -3.542
16 HB2 TYR 2 HB2 TYR 2 4.041 -4.894 -4.024
17 HB3 TYR 2 HB3 TYR 2 4.325 -4.741 -5.754
18 HD1 TYR 2 HD2 TYR 2 6.177 -6.260 -2.876
19 HD2 TYR 2 HD1 TYR 2 4.612 -6.768 -6.799
20 HE1 TYR 2 HE2 TYR 2 7.064 -8.554 -2.926
21 HE2 TYR 2 HE1 TYR 2 5.494 -9.064 -6.861
22 HH TYR 2 HH TYR 2 6.156 -10.840 -4.608
23 H TYR 3 H TYR 3 8.279 -3.195 -4.263
24 HA TYR 3 HA TYR 3 9.103 -3.071 -6.939
25 HB2 TYR 3 HB2 TYR 3 10.541 -3.241 -4.316
26 HB3 TYR 3 HB3 TYR 3 11.452 -3.385 -5.815
27 HD1 TYR 3 HD2 TYR 3 8.629 -1.197 -4.699
28 HD2 TYR 3 HD1 TYR 3 12.564 -1.428 -6.298
29 HE1 TYR 3 HE2 TYR 3 8.688 1.254 -4.892
30 HE2 TYR 3 HE1 TYR 3 12.635 1.023 -6.495
31 HH TYR 3 HH TYR 3 11.086 3.031 -5.016
32 H GLY 4 H GLY 4 8.797 -5.741 -4.749
33 HA2 GLY 4 HA2 GLY 4 8.571 -7.945 -5.800
34 HA3 GLY 4 HA3 GLY 4 9.926 -7.508 -6.831
35 H ASN 5 H ASN 5 11.367 -6.267 -4.557
36 HA ASN 5 HA ASN 5 12.836 -8.550 -3.751
37 HB2 ASN 5 HB2 ASN 5 14.153 -7.005 -2.406
38 HB3 ASN 5 HB3 ASN 5 13.834 -6.296 -3.986
39 HD21 ASN 5 HD21 ASN 5 13.218 -4.267 -3.972
40 HD22 ASN 5 HD22 ASN 5 12.438 -3.446 -2.668
41 H GLY 6 H GLY 6 10.150 -6.836 -2.381
42 HA2 GLY 6 HA2 GLY 6 8.906 -8.399 -0.800
43 HA3 GLY 6 HA3 GLY 6 10.412 -8.400 0.107
44 H VAL 7 H VAL 7 8.968 -5.623 -1.515
45 HA VAL 7 HA VAL 7 8.963 -4.197 1.029
46 HB VAL 7 HB VAL 7 8.318 -3.085 -1.701
47 HG11 VAL 7 HG11 VAL 7 8.527 -1.984 1.003
48 HG12 VAL 7 HG12 VAL 7 9.435 -1.088 -0.216
49 HG13 VAL 7 HG13 VAL 7 7.702 -1.350 -0.421
50 HG21 VAL 7 HG21 VAL 7 10.462 -3.597 -2.169
51 HG22 VAL 7 HG22 VAL 7 10.813 -2.184 -1.173
52 HG23 VAL 7 HG23 VAL 7 10.894 -3.800 -0.471
53 H SER 8 H SER 8 7.146 -3.080 1.827
54 HA SER 8 HA SER 8 4.562 -3.457 0.591
55 HB2 SER 8 HB2 SER 8 4.973 -5.591 1.852
56 HB3 SER 8 HB3 SER 8 5.040 -4.639 3.335
57 HG SER 8 HG SER 8 2.938 -4.401 3.287
58 H CYS 9 H CYS 9 3.272 -1.781 1.031
59 HA CYS 9 HA CYS 9 3.136 -0.436 3.504
60 HB2 CYS 9 HB2 CYS 9 5.378 0.371 2.734
61 HB3 CYS 9 HB3 CYS 9 4.585 1.108 1.346
62 H ASN 10 H ASN 10 1.122 0.288 3.579
63 HA ASN 10 HA ASN 10 -0.059 1.485 1.175
64 HB2 ASN 10 HB2 ASN 10 -1.034 -0.633 1.033
65 HB3 ASN 10 HB3 ASN 10 -1.145 -0.806 2.782
66 HD21 ASN 10 HD21 ASN 10 -3.041 -0.448 3.686
67 HD22 ASN 10 HD22 ASN 10 -4.371 0.379 2.955
68 H LYS 11 H LYS 11 -1.318 0.651 4.394
69 HA LYS 11 HA LYS 11 -1.745 3.527 4.877
70 HB2 LYS 11 HB2 LYS 11 -3.837 3.074 5.913
71 HB3 LYS 11 HB3 LYS 11 -3.839 2.205 4.384
72 HG2 LYS 11 HG2 LYS 11 -3.359 0.129 5.518
73 HG3 LYS 11 HG3 LYS 11 -3.222 0.972 7.062
74 HD2 LYS 11 HD2 LYS 11 -5.385 -0.017 6.998
75 HD3 LYS 11 HD3 LYS 11 -5.604 1.717 6.748
76 HE2 LYS 11 HE2 LYS 11 -6.995 0.692 5.159
77 HE3 LYS 11 HE3 LYS 11 -5.568 1.198 4.256
78 HZ1 LYS 11 HZ1 LYS 11 -5.751 -0.922 3.516
79 HZ2 LYS 11 HZ2 LYS 11 -6.484 -1.492 4.929
80 HZ3 LYS 11 HZ3 LYS 11 -4.813 -1.232 4.889
81 H LYS 12 H LYS 12 -0.939 0.392 6.218
82 HA LYS 12 HA LYS 12 -0.699 1.227 8.920
83 HB2 LYS 12 HB2 LYS 12 0.528 -1.114 7.454
84 HB3 LYS 12 HB3 LYS 12 0.602 -0.887 9.196
85 HG2 LYS 12 HG2 LYS 12 -1.919 -0.868 9.181
86 HG3 LYS 12 HG3 LYS 12 -1.825 -1.400 7.500
87 HD2 LYS 12 HD2 LYS 12 -2.003 -3.413 8.610
88 HD3 LYS 12 HD3 LYS 12 -0.251 -3.244 8.473
89 HE2 LYS 12 HE2 LYS 12 -0.528 -2.028 10.793
90 HE3 LYS 12 HE3 LYS 12 -2.012 -2.978 10.862
91 HZ1 LYS 12 HZ1 LYS 12 -0.597 -4.964 10.386
92 HZ2 LYS 12 HZ2 LYS 12 -0.322 -4.244 11.891
93 HZ3 LYS 12 HZ3 LYS 12 0.765 -3.987 10.620
94 H GLY 13 H GLY 13 1.911 0.254 6.684
95 HA2 GLY 13 HA2 GLY 13 3.465 2.557 6.944
96 HA3 GLY 13 HA3 GLY 13 3.954 1.456 8.223
97 H CYS 14 H CYS 14 5.935 1.993 6.665
98 HA CYS 14 HA CYS 14 6.044 -0.064 4.568
99 HB2 CYS 14 HB2 CYS 14 8.015 2.181 5.003
100 HB3 CYS 14 HB3 CYS 14 7.836 1.167 3.575
101 H SER 15 H SER 15 7.810 -1.493 4.452
102 HA SER 15 HA SER 15 9.733 -1.556 6.618
103 HB2 SER 15 HB2 SER 15 7.812 -3.862 6.216
104 HB3 SER 15 HB3 SER 15 9.152 -3.811 7.362
105 HG SER 15 HG SER 15 6.700 -3.041 7.793
106 H VAL 16 H VAL 16 10.035 -1.162 3.857
107 HA VAL 16 HA VAL 16 10.579 -3.339 2.269
108 HB VAL 16 HB VAL 16 10.743 -1.169 1.309
109 HG11 VAL 16 HG11 VAL 16 13.093 -0.620 3.117
110 HG12 VAL 16 HG12 VAL 16 12.374 0.489 1.947
111 HG13 VAL 16 HG13 VAL 16 11.461 -0.006 3.374
112 HG21 VAL 16 HG21 VAL 16 13.616 -1.981 1.291
113 HG22 VAL 16 HG22 VAL 16 12.397 -3.070 0.627
114 HG23 VAL 16 HG23 VAL 16 12.590 -1.450 -0.042
115 H ASP 17 H ASP 17 11.690 -5.098 2.812
116 HA ASP 17 HA ASP 17 13.764 -5.129 4.753
117 HB2 ASP 17 HB2 ASP 17 12.169 -7.041 3.901
118 HB3 ASP 17 HB3 ASP 17 13.460 -7.319 2.735
119 H TRP 18 H TRP 18 15.294 -3.600 4.044
120 HA TRP 18 HA TRP 18 16.581 -3.868 1.492
121 HB2 TRP 18 HB2 TRP 18 17.071 -2.154 3.917
122 HB3 TRP 18 HB3 TRP 18 18.206 -2.177 2.570
123 HD1 TRP 18 HD1 TRP 18 15.586 -0.089 3.750
124 HE1 TRP 18 HE1 TRP 18 14.410 1.200 1.858
125 HE3 TRP 18 HE3 TRP 18 17.217 -2.838 -0.240
126 HZ2 TRP 18 HZ2 TRP 18 14.200 1.068 -0.954
127 HZ3 TRP 18 HZ3 TRP 18 16.482 -2.191 -2.498
128 HH2 TRP 18 HH2 TRP 18 15.004 -0.278 -2.845
129 H GLY 19 H GLY 19 16.900 -6.291 2.225
130 HA2 GLY 19 HA2 GLY 19 19.713 -6.477 3.049
131 HA3 GLY 19 HA3 GLY 19 18.521 -7.461 3.885
132 H LYS 20 H LYS 20 16.901 -8.169 1.715
133 HA LYS 20 HA LYS 20 18.708 -10.019 0.329
134 HB2 LYS 20 HB2 LYS 20 15.833 -10.118 1.131
135 HB3 LYS 20 HB3 LYS 20 16.344 -11.051 -0.270
136 HG2 LYS 20 HG2 LYS 20 16.645 -12.623 1.331
137 HG3 LYS 20 HG3 LYS 20 18.228 -11.846 1.418
138 HD2 LYS 20 HD2 LYS 20 17.662 -11.874 3.639
139 HD3 LYS 20 HD3 LYS 20 17.006 -10.305 3.169
140 HE2 LYS 20 HE2 LYS 20 15.270 -12.716 2.944
141 HE3 LYS 20 HE3 LYS 20 15.569 -12.034 4.541
142 HZ1 LYS 20 HZ1 LYS 20 14.939 -9.830 3.278
143 HZ2 LYS 20 HZ2 LYS 20 13.753 -10.837 3.941
144 HZ3 LYS 20 HZ3 LYS 20 14.091 -10.906 2.285
145 H ALA 21 H ALA 21 18.111 -7.151 -0.390
146 HA ALA 21 HA ALA 21 17.137 -7.640 -3.130
147 HB1 ALA 21 HB1 ALA 21 17.068 -4.889 -2.031
148 HB2 ALA 21 HB2 ALA 21 15.956 -5.700 -3.134
149 HB3 ALA 21 HB3 ALA 21 15.890 -6.042 -1.405
150 H ILE 22 H ILE 22 19.591 -6.208 -1.112
151 HA ILE 22 HA ILE 22 20.932 -4.561 -2.867
152 HB ILE 22 HB ILE 22 22.283 -6.422 -0.912
153 HG12 ILE 22 HG12 ILE 22 20.527 -5.266 0.267
154 HG13 ILE 22 HG13 ILE 22 22.060 -4.511 0.689
155 HG21 ILE 22 HG21 ILE 22 23.106 -3.984 -2.405
156 HG22 ILE 22 HG22 ILE 22 23.757 -4.247 -0.788
157 HG23 ILE 22 HG23 ILE 22 24.016 -5.451 -2.049
158 HD11 ILE 22 HD11 ILE 22 19.838 -3.461 -1.000
159 HD12 ILE 22 HD12 ILE 22 20.675 -2.703 0.355
160 HD13 ILE 22 HD13 ILE 22 21.480 -2.852 -1.207
161 H GLY 23 H GLY 23 22.565 -4.823 -4.384
162 HA2 GLY 23 HA2 GLY 23 24.032 -5.997 -5.779
163 HA3 GLY 23 HA3 GLY 23 23.442 -7.504 -5.093
164 H ILE 24 H ILE 24 20.698 -7.174 -5.527
165 HA ILE 24 HA ILE 24 20.529 -7.948 -8.268
166 HB ILE 24 HB ILE 24 18.328 -7.392 -6.276
167 HG12 ILE 24 HG12 ILE 24 19.271 -10.090 -7.216
168 HG13 ILE 24 HG13 ILE 24 20.047 -9.279 -5.860
169 HG21 ILE 24 HG21 ILE 24 17.052 -8.928 -7.901
170 HG22 ILE 24 HG22 ILE 24 17.279 -7.238 -8.346
171 HG23 ILE 24 HG23 ILE 24 18.300 -8.484 -9.065
172 HD11 ILE 24 HD11 ILE 24 17.451 -10.623 -6.024
173 HD12 ILE 24 HD12 ILE 24 18.533 -10.392 -4.650
174 HD13 ILE 24 HD13 ILE 24 17.447 -9.094 -5.145
175 H ILE 25 H ILE 25 20.131 -4.974 -6.560
176 HA ILE 25 HA ILE 25 18.634 -3.699 -8.692
177 HB ILE 25 HB ILE 25 19.850 -2.510 -6.195
178 HG12 ILE 25 HG12 ILE 25 16.967 -3.202 -6.793
179 HG13 ILE 25 HG13 ILE 25 18.044 -4.198 -5.820
180 HG21 ILE 25 HG21 ILE 25 18.054 -1.362 -8.315
181 HG22 ILE 25 HG22 ILE 25 18.204 -0.654 -6.707
182 HG23 ILE 25 HG23 ILE 25 19.615 -0.759 -7.759
183 HD11 ILE 25 HD11 ILE 25 17.059 -1.428 -5.202
184 HD12 ILE 25 HD12 ILE 25 16.689 -2.926 -4.346
185 HD13 ILE 25 HD13 ILE 25 18.318 -2.253 -4.283
186 H GLY 26 H GLY 26 21.911 -3.629 -7.353
187 HA2 GLY 26 HA2 GLY 26 22.920 -1.529 -8.922
188 HA3 GLY 26 HA3 GLY 26 23.881 -2.810 -8.198
189 H ASN 27 H ASN 27 22.102 -4.753 -9.780
190 HA ASN 27 HA ASN 27 23.695 -4.591 -12.239
191 HB2 ASN 27 HB2 ASN 27 22.466 -6.850 -10.705
192 HB3 ASN 27 HB3 ASN 27 22.762 -7.046 -12.430
193 HD21 ASN 27 HD21 ASN 27 24.625 -5.328 -9.964
194 HD22 ASN 27 HD22 ASN 27 26.074 -6.248 -10.169
195 H ASN 28 H ASN 28 20.416 -4.760 -11.029
196 HA ASN 28 HA ASN 28 19.047 -5.331 -13.388
197 HB2 ASN 28 HB2 ASN 28 18.362 -3.961 -10.833
198 HB3 ASN 28 HB3 ASN 28 17.257 -3.755 -12.188
199 HD21 ASN 28 HD21 ASN 28 16.384 -4.976 -9.943
200 HD22 ASN 28 HD22 ASN 28 16.151 -6.664 -10.228
201 H ALA 29 H ALA 29 19.907 -2.164 -12.010
202 HA ALA 29 HA ALA 29 18.865 -0.659 -14.178
203 HB1 ALA 29 HB1 ALA 29 20.750 -0.013 -11.935
204 HB2 ALA 29 HB2 ALA 29 20.355 1.167 -13.185
205 HB3 ALA 29 HB3 ALA 29 19.080 0.507 -12.162
206 H ALA 30 H ALA 30 21.966 -2.140 -13.526
207 HA ALA 30 HA ALA 30 23.548 -0.778 -15.386
208 HB1 ALA 30 HB1 ALA 30 23.712 -3.316 -13.914
209 HB2 ALA 30 HB2 ALA 30 24.647 -3.252 -15.410
210 HB3 ALA 30 HB3 ALA 30 24.923 -2.054 -14.146
211 H ALA 31 H ALA 31 21.237 -3.371 -15.791
212 HA ALA 31 HA ALA 31 22.023 -4.115 -18.423
213 HB1 ALA 31 HB1 ALA 31 20.073 -4.940 -16.511
214 HB2 ALA 31 HB2 ALA 31 19.283 -4.695 -18.069
215 HB3 ALA 31 HB3 ALA 31 20.657 -5.793 -17.940
216 H ASN 32 H ASN 32 19.954 -1.639 -17.107
217 HA ASN 32 HA ASN 32 18.748 -1.023 -19.668
218 HB2 ASN 32 HB2 ASN 32 18.462 0.002 -16.874
219 HB3 ASN 32 HB3 ASN 32 17.935 1.025 -18.207
220 HD21 ASN 32 HD21 ASN 32 17.189 -1.610 -16.214
221 HD22 ASN 32 HD22 ASN 32 15.709 -2.075 -16.975
222 H LEU 33 H LEU 33 21.382 0.088 -17.682
223 HA LEU 33 HA LEU 33 21.776 2.621 -18.847
224 HB2 LEU 33 HB2 LEU 33 23.415 0.732 -17.250
225 HB3 LEU 33 HB3 LEU 33 24.259 2.015 -18.114
226 HG LEU 33 HG LEU 33 21.965 2.680 -16.313
227 HD11 LEU 33 HD11 LEU 33 24.816 2.267 -15.427
228 HD12 LEU 33 HD12 LEU 33 23.444 1.249 -14.992
229 HD13 LEU 33 HD13 LEU 33 23.506 2.925 -14.448
230 HD21 LEU 33 HD21 LEU 33 23.636 4.673 -16.005
231 HD22 LEU 33 HD22 LEU 33 22.612 4.575 -17.437
232 HD23 LEU 33 HD23 LEU 33 24.302 4.078 -17.526
233 H THR 34 H THR 34 22.793 -0.601 -19.785
234 HA THR 34 HA THR 34 24.468 0.406 -21.934
235 HB THR 34 HB THR 34 25.149 -1.615 -20.674
236 HG1 THR 34 HG1 THR 34 26.121 -1.848 -22.546
237 HG21 THR 34 HG21 THR 34 22.645 -2.407 -20.617
238 HG22 THR 34 HG22 THR 34 23.956 -3.586 -20.646
239 HG23 THR 34 HG23 THR 34 23.081 -3.203 -22.128
240 H THR 35 H THR 35 21.255 -0.807 -21.460
241 HA THR 35 HA THR 35 19.458 -0.978 -22.848
242 HB THR 35 HB THR 35 21.005 0.381 -25.038
243 HG1 THR 35 HG1 THR 35 20.274 2.373 -23.983
244 HG21 THR 35 HG21 THR 35 18.673 1.509 -25.202
245 HG22 THR 35 HG22 THR 35 18.133 0.155 -24.210
246 HG23 THR 35 HG23 THR 35 18.866 -0.143 -25.786
247 H GLY 36 H GLY 36 21.115 -3.178 -22.717
248 HA2 GLY 36 HA2 GLY 36 20.851 -4.242 -25.456
249 HA3 GLY 36 HA3 GLY 36 22.303 -4.548 -24.514
250 H GLY 37 H GLY 37 21.315 -5.129 -22.037
251 HA2 GLY 37 HA2 GLY 37 20.301 -7.790 -22.470
252 HA3 GLY 37 HA3 GLY 37 20.724 -7.072 -20.923
253 H LYS 38 H LYS 38 18.925 -7.660 -19.789
254 HA LYS 38 HA LYS 38 16.289 -7.611 -20.677
255 HB2 LYS 38 HB2 LYS 38 17.291 -8.588 -18.507
256 HB3 LYS 38 HB3 LYS 38 17.045 -6.982 -17.834
257 HG2 LYS 38 HG2 LYS 38 14.609 -7.308 -18.734
258 HG3 LYS 38 HG3 LYS 38 15.039 -9.019 -18.666
259 HD2 LYS 38 HD2 LYS 38 15.300 -7.095 -16.356
260 HD3 LYS 38 HD3 LYS 38 13.932 -8.183 -16.602
261 HE2 LYS 38 HE2 LYS 38 16.812 -9.003 -16.229
262 HE3 LYS 38 HE3 LYS 38 15.536 -9.120 -15.017
263 HZ1 LYS 38 HZ1 LYS 38 14.404 -10.482 -16.960
264 HZ2 LYS 38 HZ2 LYS 38 15.444 -11.210 -15.843
265 HZ3 LYS 38 HZ3 LYS 38 16.019 -10.773 -17.373
266 H ALA 39 H ALA 39 15.145 -5.957 -21.414
267 HA ALA 39 HA ALA 39 15.746 -3.252 -20.456
268 HB1 ALA 39 HB1 ALA 39 15.161 -2.472 -22.485
269 HB2 ALA 39 HB2 ALA 39 15.448 -4.139 -22.988
270 HB3 ALA 39 HB3 ALA 39 13.807 -3.591 -22.644
271 H GLY 40 H GLY 40 14.298 -2.025 -19.363
272 HA2 GLY 40 HA2 GLY 40 11.732 -3.322 -18.688
273 HA3 GLY 40 HA3 GLY 40 12.609 -2.235 -17.621
274 H TRP 41 H TRP 41 13.222 -0.372 -19.825
275 HA TRP 41 HA TRP 41 11.063 1.380 -19.522
276 HB2 TRP 41 HB2 TRP 41 12.171 2.805 -21.087
277 HB3 TRP 41 HB3 TRP 41 13.427 1.986 -20.164
278 HD1 TRP 41 HD1 TRP 41 13.781 -0.678 -21.692
279 HE1 TRP 41 HE1 TRP 41 14.668 -0.725 -24.108
280 HE3 TRP 41 HE3 TRP 41 12.659 4.118 -23.063
281 HZ2 TRP 41 HZ2 TRP 41 14.867 1.038 -26.304
282 HZ3 TRP 41 HZ3 TRP 41 13.231 4.859 -25.338
283 HH2 TRP 41 HH2 TRP 41 14.312 3.349 -26.923
284 H LYS 42 H LYS 42 9.903 2.374 -21.483
285 HA LYS 42 HA LYS 42 8.096 0.531 -22.513
286 HB2 LYS 42 HB2 LYS 42 8.840 3.278 -23.528
287 HB3 LYS 42 HB3 LYS 42 7.456 2.359 -24.105
288 HG2 LYS 42 HG2 LYS 42 6.311 2.577 -22.103
289 HG3 LYS 42 HG3 LYS 42 7.777 2.945 -21.191
290 HD2 LYS 42 HD2 LYS 42 6.878 5.042 -21.337
291 HD3 LYS 42 HD3 LYS 42 7.837 5.029 -22.819
292 HE2 LYS 42 HE2 LYS 42 5.007 4.074 -22.876
293 HE3 LYS 42 HE3 LYS 42 5.342 5.805 -22.866
294 HZ1 LYS 42 HZ1 LYS 42 5.878 5.734 -25.001
295 HZ2 LYS 42 HZ2 LYS 42 5.345 4.130 -25.051
296 HZ3 LYS 42 HZ3 LYS 42 6.977 4.470 -24.762
297 H GLY 43 H GLY 43 7.790 -0.366 -24.579
298 HA2 GLY 43 HA2 GLY 43 10.022 -0.185 -26.468
299 HA3 GLY 43 HA3 GLY 43 9.626 -1.771 -25.822
Start of MODEL 8
1 H1 LYS 1 H LYS 1 -0.287 -4.145 3.323
2 HA LYS 1 HA LYS 1 -0.658 -6.149 1.377
3 HB2 LYS 1 HB2 LYS 1 -0.640 -3.601 1.077
4 HB3 LYS 1 HB3 LYS 1 1.112 -3.738 1.019
5 HG2 LYS 1 HG2 LYS 1 1.023 -5.076 -0.945
6 HG3 LYS 1 HG3 LYS 1 -0.729 -5.247 -0.819
7 HD2 LYS 1 HD2 LYS 1 -0.804 -2.694 -1.014
8 HD3 LYS 1 HD3 LYS 1 0.872 -2.813 -1.554
9 HE2 LYS 1 HE2 LYS 1 0.305 -3.906 -3.504
10 HE3 LYS 1 HE3 LYS 1 -1.205 -4.527 -2.840
11 HZ1 LYS 1 HZ1 LYS 1 -0.790 -2.204 -4.363
12 HZ2 LYS 1 HZ2 LYS 1 -1.364 -1.745 -2.840
13 HZ3 LYS 1 HZ3 LYS 1 -2.248 -2.835 -3.783
14 H TYR 2 H TYR 2 0.927 -7.158 0.014
15 HA TYR 2 HA TYR 2 3.633 -7.338 1.120
16 HB2 TYR 2 HB2 TYR 2 2.297 -9.200 2.079
17 HB3 TYR 2 HB3 TYR 2 1.951 -9.762 0.448
18 HD1 TYR 2 HD2 TYR 2 5.055 -8.643 2.215
19 HD2 TYR 2 HD1 TYR 2 3.118 -11.684 -0.045
20 HE1 TYR 2 HE2 TYR 2 7.124 -9.973 2.241
21 HE2 TYR 2 HE1 TYR 2 5.181 -13.022 -0.024
22 HH TYR 2 HH TYR 2 8.192 -11.739 1.167
23 H TYR 3 H TYR 3 4.700 -6.482 -0.572
24 HA TYR 3 HA TYR 3 3.980 -6.889 -3.288
25 HB2 TYR 3 HB2 TYR 3 6.414 -5.753 -1.931
26 HB3 TYR 3 HB3 TYR 3 6.346 -5.941 -3.680
27 HD1 TYR 3 HD2 TYR 3 4.203 -4.572 -0.933
28 HD2 TYR 3 HD1 TYR 3 5.697 -4.093 -4.888
29 HE1 TYR 3 HE2 TYR 3 3.023 -2.421 -1.113
30 HE2 TYR 3 HE1 TYR 3 4.522 -1.940 -5.078
31 HH TYR 3 HH TYR 3 2.772 -0.707 -4.119
32 H GLY 4 H GLY 4 6.169 -8.502 -1.080
33 HA2 GLY 4 HA2 GLY 4 6.537 -10.893 -1.548
34 HA3 GLY 4 HA3 GLY 4 6.783 -10.438 -3.227
35 H ASN 5 H ASN 5 8.450 -8.254 -2.962
36 HA ASN 5 HA ASN 5 10.962 -9.437 -2.748
37 HB2 ASN 5 HB2 ASN 5 11.876 -7.198 -2.912
38 HB3 ASN 5 HB3 ASN 5 10.479 -7.330 -3.977
39 HD21 ASN 5 HD21 ASN 5 9.136 -5.693 -3.910
40 HD22 ASN 5 HD22 ASN 5 8.891 -4.625 -2.574
41 H GLY 6 H GLY 6 8.905 -8.090 -0.314
42 HA2 GLY 6 HA2 GLY 6 9.578 -9.065 1.943
43 HA3 GLY 6 HA3 GLY 6 11.101 -8.240 1.650
44 H VAL 7 H VAL 7 7.894 -7.004 0.869
45 HA VAL 7 HA VAL 7 8.428 -4.711 2.612
46 HB VAL 7 HB VAL 7 6.214 -4.972 0.580
47 HG11 VAL 7 HG11 VAL 7 6.629 -3.111 2.568
48 HG12 VAL 7 HG12 VAL 7 7.314 -2.337 1.137
49 HG13 VAL 7 HG13 VAL 7 5.638 -2.886 1.127
50 HG21 VAL 7 HG21 VAL 7 8.194 -5.240 -0.682
51 HG22 VAL 7 HG22 VAL 7 7.741 -3.544 -0.851
52 HG23 VAL 7 HG23 VAL 7 9.043 -4.003 0.246
53 H SER 8 H SER 8 7.192 -4.205 4.338
54 HA SER 8 HA SER 8 4.937 -6.004 4.942
55 HB2 SER 8 HB2 SER 8 6.485 -6.489 6.611
56 HB3 SER 8 HB3 SER 8 7.077 -4.830 6.685
57 HG SER 8 HG SER 8 5.196 -5.987 8.175
58 H CYS 9 H CYS 9 3.064 -4.999 4.661
59 HA CYS 9 HA CYS 9 2.764 -2.274 5.716
60 HB2 CYS 9 HB2 CYS 9 1.789 -3.272 3.034
61 HB3 CYS 9 HB3 CYS 9 1.280 -1.754 3.765
62 H ASN 10 H ASN 10 0.596 -1.704 6.313
63 HA ASN 10 HA ASN 10 -1.161 -4.031 6.734
64 HB2 ASN 10 HB2 ASN 10 -1.856 -2.441 8.802
65 HB3 ASN 10 HB3 ASN 10 -0.627 -3.696 8.920
66 HD21 ASN 10 HD21 ASN 10 -1.304 -0.426 9.265
67 HD22 ASN 10 HD22 ASN 10 0.312 0.147 9.480
68 H LYS 11 H LYS 11 -1.519 -0.554 7.369
69 HA LYS 11 HA LYS 11 -3.489 -0.306 5.249
70 HB2 LYS 11 HB2 LYS 11 -5.102 0.756 6.955
71 HB3 LYS 11 HB3 LYS 11 -5.013 -0.999 6.880
72 HG2 LYS 11 HG2 LYS 11 -4.357 -1.142 8.995
73 HG3 LYS 11 HG3 LYS 11 -3.108 0.084 8.767
74 HD2 LYS 11 HD2 LYS 11 -4.517 1.818 9.363
75 HD3 LYS 11 HD3 LYS 11 -5.975 0.908 8.960
76 HE2 LYS 11 HE2 LYS 11 -4.473 -0.395 11.055
77 HE3 LYS 11 HE3 LYS 11 -4.854 1.271 11.489
78 HZ1 LYS 11 HZ1 LYS 11 -7.066 -0.140 10.317
79 HZ2 LYS 11 HZ2 LYS 11 -7.002 0.784 11.732
80 HZ3 LYS 11 HZ3 LYS 11 -6.525 -0.839 11.759
81 H LYS 12 H LYS 12 -1.777 1.191 7.950
82 HA LYS 12 HA LYS 12 -1.580 3.655 6.356
83 HB2 LYS 12 HB2 LYS 12 -2.127 5.036 8.131
84 HB3 LYS 12 HB3 LYS 12 -3.222 3.683 8.386
85 HG2 LYS 12 HG2 LYS 12 -0.611 4.156 9.808
86 HG3 LYS 12 HG3 LYS 12 -2.229 4.374 10.478
87 HD2 LYS 12 HD2 LYS 12 -2.643 1.943 10.043
88 HD3 LYS 12 HD3 LYS 12 -0.940 1.792 9.602
89 HE2 LYS 12 HE2 LYS 12 -1.016 1.148 11.848
90 HE3 LYS 12 HE3 LYS 12 -0.448 2.816 11.895
91 HZ1 LYS 12 HZ1 LYS 12 -3.329 2.324 12.100
92 HZ2 LYS 12 HZ2 LYS 12 -2.394 3.552 12.791
93 HZ3 LYS 12 HZ3 LYS 12 -2.367 1.995 13.452
94 H GLY 13 H GLY 13 0.101 1.167 7.402
95 HA2 GLY 13 HA2 GLY 13 2.525 2.786 7.801
96 HA3 GLY 13 HA3 GLY 13 2.168 1.480 8.922
97 H CYS 14 H CYS 14 4.326 2.040 6.817
98 HA CYS 14 HA CYS 14 4.125 -0.571 5.463
99 HB2 CYS 14 HB2 CYS 14 4.853 2.097 4.444
100 HB3 CYS 14 HB3 CYS 14 5.934 0.799 3.950
101 H SER 15 H SER 15 6.537 -1.097 4.621
102 HA SER 15 HA SER 15 8.726 -0.395 6.219
103 HB2 SER 15 HB2 SER 15 6.993 -1.936 7.685
104 HB3 SER 15 HB3 SER 15 8.098 -3.148 7.037
105 HG SER 15 HG SER 15 8.534 -1.710 9.110
106 H VAL 16 H VAL 16 9.794 -0.457 4.265
107 HA VAL 16 HA VAL 16 10.109 -3.116 3.032
108 HB VAL 16 HB VAL 16 9.179 -1.701 1.389
109 HG11 VAL 16 HG11 VAL 16 11.247 0.371 2.120
110 HG12 VAL 16 HG12 VAL 16 10.024 0.522 0.857
111 HG13 VAL 16 HG13 VAL 16 9.537 0.426 2.550
112 HG21 VAL 16 HG21 VAL 16 12.156 -1.604 0.919
113 HG22 VAL 16 HG22 VAL 16 11.153 -3.034 0.676
114 HG23 VAL 16 HG23 VAL 16 10.885 -1.592 -0.304
115 H ASP 17 H ASP 17 11.956 -4.043 3.604
116 HA ASP 17 HA ASP 17 14.167 -2.635 4.684
117 HB2 ASP 17 HB2 ASP 17 13.424 -5.402 4.203
118 HB3 ASP 17 HB3 ASP 17 15.127 -5.118 3.853
119 H TRP 18 H TRP 18 14.776 -1.071 3.167
120 HA TRP 18 HA TRP 18 15.541 -1.826 0.497
121 HB2 TRP 18 HB2 TRP 18 15.643 0.733 2.073
122 HB3 TRP 18 HB3 TRP 18 16.452 0.600 0.513
123 HD1 TRP 18 HD1 TRP 18 13.364 1.843 1.828
124 HE1 TRP 18 HE1 TRP 18 11.485 1.856 0.069
125 HE3 TRP 18 HE3 TRP 18 15.480 -1.260 -1.641
126 HZ2 TRP 18 HZ2 TRP 18 10.969 0.703 -2.456
127 HZ3 TRP 18 HZ3 TRP 18 14.228 -1.754 -3.700
128 HH2 TRP 18 HH2 TRP 18 12.019 -0.792 -4.097
129 H GLY 19 H GLY 19 17.011 -3.522 1.671
130 HA2 GLY 19 HA2 GLY 19 19.717 -2.360 1.688
131 HA3 GLY 19 HA3 GLY 19 19.224 -3.444 2.980
132 H LYS 20 H LYS 20 17.785 -5.327 1.508
133 HA LYS 20 HA LYS 20 19.987 -6.651 0.099
134 HB2 LYS 20 HB2 LYS 20 17.476 -7.671 1.413
135 HB3 LYS 20 HB3 LYS 20 18.437 -8.682 0.342
136 HG2 LYS 20 HG2 LYS 20 19.773 -7.300 2.617
137 HG3 LYS 20 HG3 LYS 20 18.807 -8.745 2.925
138 HD2 LYS 20 HD2 LYS 20 20.150 -10.001 1.328
139 HD3 LYS 20 HD3 LYS 20 21.092 -8.554 0.960
140 HE2 LYS 20 HE2 LYS 20 20.896 -9.521 3.780
141 HE3 LYS 20 HE3 LYS 20 21.997 -10.321 2.659
142 HZ1 LYS 20 HZ1 LYS 20 23.428 -8.733 3.234
143 HZ2 LYS 20 HZ2 LYS 20 22.234 -7.764 3.939
144 HZ3 LYS 20 HZ3 LYS 20 22.510 -7.687 2.271
145 H ALA 21 H ALA 21 18.280 -4.551 -1.091
146 HA ALA 21 HA ALA 21 17.150 -6.131 -3.310
147 HB1 ALA 21 HB1 ALA 21 16.192 -3.462 -2.281
148 HB2 ALA 21 HB2 ALA 21 15.540 -4.323 -3.676
149 HB3 ALA 21 HB3 ALA 21 15.384 -5.014 -2.061
150 H ILE 22 H ILE 22 18.881 -3.207 -2.368
151 HA ILE 22 HA ILE 22 19.249 -2.012 -4.834
152 HB ILE 22 HB ILE 22 21.271 -2.154 -2.594
153 HG12 ILE 22 HG12 ILE 22 19.131 -1.317 -1.791
154 HG13 ILE 22 HG13 ILE 22 20.286 0.008 -1.892
155 HG21 ILE 22 HG21 ILE 22 22.501 -1.256 -4.300
156 HG22 ILE 22 HG22 ILE 22 21.091 -0.564 -5.100
157 HG23 ILE 22 HG23 ILE 22 21.753 0.207 -3.660
158 HD11 ILE 22 HD11 ILE 22 17.864 -0.529 -3.528
159 HD12 ILE 22 HD12 ILE 22 18.427 0.975 -2.797
160 HD13 ILE 22 HD13 ILE 22 19.209 0.354 -4.251
161 H GLY 23 H GLY 23 21.138 -4.606 -3.323
162 HA2 GLY 23 HA2 GLY 23 23.203 -4.801 -5.172
163 HA3 GLY 23 HA3 GLY 23 22.577 -6.147 -4.231
164 H ILE 24 H ILE 24 19.905 -5.977 -5.390
165 HA ILE 24 HA ILE 24 20.430 -7.539 -7.760
166 HB ILE 24 HB ILE 24 17.798 -6.763 -6.498
167 HG12 ILE 24 HG12 ILE 24 17.992 -9.365 -5.981
168 HG13 ILE 24 HG13 ILE 24 19.714 -9.010 -6.075
169 HG21 ILE 24 HG21 ILE 24 17.571 -9.139 -7.981
170 HG22 ILE 24 HG22 ILE 24 16.841 -7.573 -8.328
171 HG23 ILE 24 HG23 ILE 24 18.413 -7.983 -9.012
172 HD11 ILE 24 HD11 ILE 24 18.529 -7.020 -4.462
173 HD12 ILE 24 HD12 ILE 24 17.921 -8.585 -3.920
174 HD13 ILE 24 HD13 ILE 24 19.658 -8.290 -3.991
175 H ILE 25 H ILE 25 18.819 -4.478 -6.986
176 HA ILE 25 HA ILE 25 17.863 -3.858 -9.532
177 HB ILE 25 HB ILE 25 18.845 -1.939 -7.416
178 HG12 ILE 25 HG12 ILE 25 17.086 -3.491 -6.630
179 HG13 ILE 25 HG13 ILE 25 16.518 -1.827 -6.703
180 HG21 ILE 25 HG21 ILE 25 17.053 -0.480 -8.604
181 HG22 ILE 25 HG22 ILE 25 18.665 -0.621 -9.303
182 HG23 ILE 25 HG23 ILE 25 17.332 -1.567 -9.964
183 HD11 ILE 25 HD11 ILE 25 14.810 -3.290 -7.528
184 HD12 ILE 25 HD12 ILE 25 15.447 -2.340 -8.871
185 HD13 ILE 25 HD13 ILE 25 15.934 -4.023 -8.672
186 H GLY 26 H GLY 26 21.072 -3.613 -8.181
187 HA2 GLY 26 HA2 GLY 26 22.180 -1.831 -10.076
188 HA3 GLY 26 HA3 GLY 26 23.082 -2.972 -9.089
189 H ASN 27 H ASN 27 21.842 -5.347 -10.050
190 HA ASN 27 HA ASN 27 23.403 -5.751 -12.406
191 HB2 ASN 27 HB2 ASN 27 21.444 -7.515 -10.930
192 HB3 ASN 27 HB3 ASN 27 22.336 -8.047 -12.352
193 HD21 ASN 27 HD21 ASN 27 24.778 -7.495 -12.150
194 HD22 ASN 27 HD22 ASN 27 25.505 -7.970 -10.656
195 H ASN 28 H ASN 28 20.072 -5.015 -11.757
196 HA ASN 28 HA ASN 28 18.941 -5.870 -14.191
197 HB2 ASN 28 HB2 ASN 28 18.144 -3.894 -12.082
198 HB3 ASN 28 HB3 ASN 28 17.241 -3.963 -13.592
199 HD21 ASN 28 HD21 ASN 28 16.558 -4.664 -10.777
200 HD22 ASN 28 HD22 ASN 28 15.950 -6.279 -10.859
201 H ALA 29 H ALA 29 19.862 -2.573 -13.177
202 HA ALA 29 HA ALA 29 19.468 -1.331 -15.638
203 HB1 ALA 29 HB1 ALA 29 20.807 -0.681 -13.128
204 HB2 ALA 29 HB2 ALA 29 21.525 0.104 -14.536
205 HB3 ALA 29 HB3 ALA 29 19.812 0.327 -14.179
206 H ALA 30 H ALA 30 22.123 -3.268 -14.479
207 HA ALA 30 HA ALA 30 24.148 -2.501 -16.228
208 HB1 ALA 30 HB1 ALA 30 23.585 -4.785 -14.515
209 HB2 ALA 30 HB2 ALA 30 24.525 -5.211 -15.945
210 HB3 ALA 30 HB3 ALA 30 25.111 -3.963 -14.845
211 H ALA 31 H ALA 31 21.271 -4.342 -16.805
212 HA ALA 31 HA ALA 31 21.996 -5.761 -19.100
213 HB1 ALA 31 HB1 ALA 31 19.776 -5.682 -17.644
214 HB2 ALA 31 HB2 ALA 31 19.259 -4.630 -18.962
215 HB3 ALA 31 HB3 ALA 31 19.792 -6.276 -19.304
216 H ASN 32 H ASN 32 21.217 -2.395 -18.643
217 HA ASN 32 HA ASN 32 20.820 -1.824 -21.427
218 HB2 ASN 32 HB2 ASN 32 21.029 -0.199 -18.923
219 HB3 ASN 32 HB3 ASN 32 21.212 0.607 -20.478
220 HD21 ASN 32 HD21 ASN 32 19.061 -1.349 -18.517
221 HD22 ASN 32 HD22 ASN 32 17.599 -0.859 -19.297
222 H LEU 33 H LEU 33 23.513 -1.781 -19.196
223 HA LEU 33 HA LEU 33 25.277 -0.336 -20.930
224 HB2 LEU 33 HB2 LEU 33 25.750 -2.003 -18.469
225 HB3 LEU 33 HB3 LEU 33 27.036 -1.163 -19.333
226 HG LEU 33 HG LEU 33 24.660 0.238 -18.118
227 HD11 LEU 33 HD11 LEU 33 26.263 0.903 -16.331
228 HD12 LEU 33 HD12 LEU 33 27.387 -0.302 -16.959
229 HD13 LEU 33 HD13 LEU 33 25.825 -0.805 -16.312
230 HD21 LEU 33 HD21 LEU 33 27.270 1.549 -18.591
231 HD22 LEU 33 HD22 LEU 33 25.632 2.189 -18.739
232 HD23 LEU 33 HD23 LEU 33 26.298 1.166 -20.013
233 H THR 34 H THR 34 24.761 -3.744 -20.132
234 HA THR 34 HA THR 34 26.882 -4.672 -21.825
235 HB THR 34 HB THR 34 26.225 -6.007 -19.902
236 HG1 THR 34 HG1 THR 34 26.936 -7.509 -21.222
237 HG21 THR 34 HG21 THR 34 24.099 -6.391 -19.351
238 HG22 THR 34 HG22 THR 34 23.785 -7.149 -20.913
239 HG23 THR 34 HG23 THR 34 23.611 -5.404 -20.729
240 H THR 35 H THR 35 23.529 -3.921 -22.230
241 HA THR 35 HA THR 35 22.063 -4.170 -23.970
242 HB THR 35 HB THR 35 23.194 -3.778 -26.262
243 HG1 THR 35 HG1 THR 35 25.319 -3.137 -26.184
244 HG21 THR 35 HG21 THR 35 22.095 -2.076 -24.676
245 HG22 THR 35 HG22 THR 35 23.195 -1.461 -25.910
246 HG23 THR 35 HG23 THR 35 23.743 -1.624 -24.242
247 H GLY 36 H GLY 36 23.083 -6.651 -22.965
248 HA2 GLY 36 HA2 GLY 36 23.415 -8.284 -25.383
249 HA3 GLY 36 HA3 GLY 36 23.727 -8.811 -23.736
250 H GLY 37 H GLY 37 21.225 -7.775 -22.678
251 HA2 GLY 37 HA2 GLY 37 19.568 -10.037 -23.366
252 HA3 GLY 37 HA3 GLY 37 19.229 -8.827 -22.137
253 H LYS 38 H LYS 38 17.605 -7.485 -22.532
254 HA LYS 38 HA LYS 38 17.044 -6.581 -25.228
255 HB2 LYS 38 HB2 LYS 38 15.784 -8.826 -24.630
256 HB3 LYS 38 HB3 LYS 38 14.712 -7.736 -23.761
257 HG2 LYS 38 HG2 LYS 38 15.397 -7.521 -26.685
258 HG3 LYS 38 HG3 LYS 38 13.923 -8.240 -26.031
259 HD2 LYS 38 HD2 LYS 38 13.729 -5.915 -24.811
260 HD3 LYS 38 HD3 LYS 38 14.764 -5.382 -26.138
261 HE2 LYS 38 HE2 LYS 38 12.229 -6.935 -26.592
262 HE3 LYS 38 HE3 LYS 38 12.248 -5.176 -26.473
263 HZ1 LYS 38 HZ1 LYS 38 14.123 -5.453 -28.263
264 HZ2 LYS 38 HZ2 LYS 38 12.491 -5.440 -28.707
265 HZ3 LYS 38 HZ3 LYS 38 13.320 -6.909 -28.576
266 H ALA 39 H ALA 39 16.488 -4.504 -25.171
267 HA ALA 39 HA ALA 39 14.899 -3.444 -22.987
268 HB1 ALA 39 HB1 ALA 39 17.767 -3.090 -23.110
269 HB2 ALA 39 HB2 ALA 39 16.916 -1.545 -23.151
270 HB3 ALA 39 HB3 ALA 39 16.632 -2.673 -21.825
271 H GLY 40 H GLY 40 14.332 -1.122 -23.368
272 HA2 GLY 40 HA2 GLY 40 14.373 -0.475 -26.250
273 HA3 GLY 40 HA3 GLY 40 12.893 -0.366 -25.308
274 H TRP 41 H TRP 41 16.219 0.880 -25.426
275 HA TRP 41 HA TRP 41 15.845 3.039 -23.687
276 HB2 TRP 41 HB2 TRP 41 17.897 3.913 -24.544
277 HB3 TRP 41 HB3 TRP 41 18.044 2.158 -24.556
278 HD1 TRP 41 HD1 TRP 41 16.648 1.466 -27.279
279 HE1 TRP 41 HE1 TRP 41 17.738 2.148 -29.509
280 HE3 TRP 41 HE3 TRP 41 19.663 5.234 -25.589
281 HZ2 TRP 41 HZ2 TRP 41 19.626 4.034 -30.429
282 HZ3 TRP 41 HZ3 TRP 41 21.080 6.426 -27.209
283 HH2 TRP 41 HH2 TRP 41 21.061 5.837 -29.578
284 H LYS 42 H LYS 42 15.865 5.361 -24.292
285 HA LYS 42 HA LYS 42 13.600 6.073 -25.736
286 HB2 LYS 42 HB2 LYS 42 15.954 7.550 -24.663
287 HB3 LYS 42 HB3 LYS 42 14.917 8.387 -25.811
288 HG2 LYS 42 HG2 LYS 42 13.003 8.070 -24.384
289 HG3 LYS 42 HG3 LYS 42 13.959 7.094 -23.266
290 HD2 LYS 42 HD2 LYS 42 13.837 9.242 -22.296
291 HD3 LYS 42 HD3 LYS 42 15.453 9.128 -22.996
292 HE2 LYS 42 HE2 LYS 42 14.693 11.248 -23.628
293 HE3 LYS 42 HE3 LYS 42 14.443 10.249 -25.058
294 HZ1 LYS 42 HZ1 LYS 42 12.165 10.201 -23.357
295 HZ2 LYS 42 HZ2 LYS 42 12.275 10.640 -24.986
296 HZ3 LYS 42 HZ3 LYS 42 12.563 11.790 -23.780
297 H GLY 43 H GLY 43 16.904 6.995 -26.716
298 HA2 GLY 43 HA2 GLY 43 17.435 6.000 -29.048
299 HA3 GLY 43 HA3 GLY 43 15.999 6.901 -29.512
Start of MODEL 9
1 H1 LYS 1 H LYS 1 4.643 -4.211 -3.949
2 HA LYS 1 HA LYS 1 5.842 -6.772 -4.773
3 HB2 LYS 1 HB2 LYS 1 6.681 -4.437 -5.654
4 HB3 LYS 1 HB3 LYS 1 7.495 -4.372 -4.096
5 HG2 LYS 1 HG2 LYS 1 9.079 -5.253 -5.569
6 HG3 LYS 1 HG3 LYS 1 8.461 -6.651 -4.686
7 HD2 LYS 1 HD2 LYS 1 6.987 -7.194 -6.547
8 HD3 LYS 1 HD3 LYS 1 7.548 -5.769 -7.425
9 HE2 LYS 1 HE2 LYS 1 9.548 -7.769 -6.484
10 HE3 LYS 1 HE3 LYS 1 8.567 -8.147 -7.899
11 HZ1 LYS 1 HZ1 LYS 1 9.676 -5.506 -7.985
12 HZ2 LYS 1 HZ2 LYS 1 9.722 -6.733 -9.147
13 HZ3 LYS 1 HZ3 LYS 1 10.868 -6.704 -7.903
14 H TYR 2 H TYR 2 6.907 -8.007 -3.299
15 HA TYR 2 HA TYR 2 7.190 -6.958 -0.570
16 HB2 TYR 2 HB2 TYR 2 5.140 -8.282 -0.610
17 HB3 TYR 2 HB3 TYR 2 6.007 -9.640 -1.319
18 HD1 TYR 2 HD2 TYR 2 7.045 -7.421 1.484
19 HD2 TYR 2 HD1 TYR 2 5.834 -11.322 0.292
20 HE1 TYR 2 HE2 TYR 2 7.559 -8.263 3.737
21 HE2 TYR 2 HE1 TYR 2 6.343 -12.174 2.542
22 HH TYR 2 HH TYR 2 7.210 -10.023 5.168
23 H TYR 3 H TYR 3 9.374 -6.832 -0.531
24 HA TYR 3 HA TYR 3 11.145 -8.650 -1.740
25 HB2 TYR 3 HB2 TYR 3 11.446 -6.573 0.409
26 HB3 TYR 3 HB3 TYR 3 12.793 -7.626 -0.010
27 HD1 TYR 3 HD2 TYR 3 10.221 -5.686 -1.918
28 HD2 TYR 3 HD1 TYR 3 14.336 -6.628 -1.390
29 HE1 TYR 3 HE2 TYR 3 10.796 -4.196 -3.789
30 HE2 TYR 3 HE1 TYR 3 14.923 -5.141 -3.258
31 HH TYR 3 HH TYR 3 14.065 -4.010 -5.051
32 H GLY 4 H GLY 4 10.046 -8.364 1.633
33 HA2 GLY 4 HA2 GLY 4 9.503 -10.556 2.698
34 HA3 GLY 4 HA3 GLY 4 11.049 -11.110 2.074
35 H ASN 5 H ASN 5 10.594 -7.907 3.401
36 HA ASN 5 HA ASN 5 12.058 -8.727 5.819
37 HB2 ASN 5 HB2 ASN 5 13.065 -6.301 5.584
38 HB3 ASN 5 HB3 ASN 5 13.779 -7.656 4.716
39 HD21 ASN 5 HD21 ASN 5 12.353 -4.606 4.468
40 HD22 ASN 5 HD22 ASN 5 12.252 -4.521 2.745
41 H GLY 6 H GLY 6 10.482 -5.820 4.462
42 HA2 GLY 6 HA2 GLY 6 8.535 -5.799 6.595
43 HA3 GLY 6 HA3 GLY 6 9.739 -4.524 6.722
44 H VAL 7 H VAL 7 8.815 -5.619 3.577
45 HA VAL 7 HA VAL 7 7.476 -3.047 3.121
46 HB VAL 7 HB VAL 7 8.313 -4.945 0.948
47 HG11 VAL 7 HG11 VAL 7 7.661 -2.030 1.151
48 HG12 VAL 7 HG12 VAL 7 8.643 -2.644 -0.181
49 HG13 VAL 7 HG13 VAL 7 7.003 -3.247 0.058
50 HG21 VAL 7 HG21 VAL 7 10.026 -3.159 2.610
51 HG22 VAL 7 HG22 VAL 7 10.379 -4.750 1.936
52 HG23 VAL 7 HG23 VAL 7 10.382 -3.330 0.891
53 H SER 8 H SER 8 5.622 -3.029 1.631
54 HA SER 8 HA SER 8 3.535 -3.681 0.997
55 HB2 SER 8 HB2 SER 8 5.037 -5.690 0.134
56 HB3 SER 8 HB3 SER 8 4.166 -6.575 1.386
57 HG SER 8 HG SER 8 2.334 -6.350 0.300
58 H CYS 9 H CYS 9 2.429 -2.894 2.753
59 HA CYS 9 HA CYS 9 2.149 -4.563 5.127
60 HB2 CYS 9 HB2 CYS 9 1.000 -2.645 6.107
61 HB3 CYS 9 HB3 CYS 9 2.534 -2.144 5.404
62 H ASN 10 H ASN 10 -0.357 -4.014 5.999
63 HA ASN 10 HA ASN 10 -2.044 -5.314 3.965
64 HB2 ASN 10 HB2 ASN 10 -3.419 -5.920 6.111
65 HB3 ASN 10 HB3 ASN 10 -1.970 -6.839 5.711
66 HD21 ASN 10 HD21 ASN 10 -0.051 -6.433 6.878
67 HD22 ASN 10 HD22 ASN 10 -0.102 -5.724 8.453
68 H LYS 11 H LYS 11 -2.321 -3.144 6.783
69 HA LYS 11 HA LYS 11 -4.018 -1.355 5.259
70 HB2 LYS 11 HB2 LYS 11 -5.022 -2.733 7.756
71 HB3 LYS 11 HB3 LYS 11 -5.823 -1.384 6.962
72 HG2 LYS 11 HG2 LYS 11 -6.105 -2.756 4.946
73 HG3 LYS 11 HG3 LYS 11 -5.342 -4.112 5.779
74 HD2 LYS 11 HD2 LYS 11 -7.744 -2.737 6.935
75 HD3 LYS 11 HD3 LYS 11 -7.917 -3.998 5.712
76 HE2 LYS 11 HE2 LYS 11 -8.031 -5.269 7.608
77 HE3 LYS 11 HE3 LYS 11 -6.292 -5.305 7.325
78 HZ1 LYS 11 HZ1 LYS 11 -7.306 -4.683 9.658
79 HZ2 LYS 11 HZ2 LYS 11 -7.349 -3.137 8.974
80 HZ3 LYS 11 HZ3 LYS 11 -5.880 -3.968 9.093
81 H LYS 12 H LYS 12 -2.530 -2.162 8.360
82 HA LYS 12 HA LYS 12 -2.717 0.244 9.684
83 HB2 LYS 12 HB2 LYS 12 -0.593 -1.878 9.652
84 HB3 LYS 12 HB3 LYS 12 -0.390 -0.428 10.626
85 HG2 LYS 12 HG2 LYS 12 -2.556 -0.948 11.736
86 HG3 LYS 12 HG3 LYS 12 -2.583 -2.475 10.851
87 HD2 LYS 12 HD2 LYS 12 -1.667 -3.027 12.935
88 HD3 LYS 12 HD3 LYS 12 -0.269 -2.892 11.866
89 HE2 LYS 12 HE2 LYS 12 0.183 -0.660 12.691
90 HE3 LYS 12 HE3 LYS 12 -1.269 -0.706 13.689
91 HZ1 LYS 12 HZ1 LYS 12 0.176 -1.372 15.253
92 HZ2 LYS 12 HZ2 LYS 12 1.325 -1.919 14.139
93 HZ3 LYS 12 HZ3 LYS 12 -0.001 -2.893 14.533
94 H GLY 13 H GLY 13 0.317 -0.705 8.079
95 HA2 GLY 13 HA2 GLY 13 0.488 1.609 6.452
96 HA3 GLY 13 HA3 GLY 13 1.391 1.857 7.939
97 H CYS 14 H CYS 14 2.398 1.727 5.219
98 HA CYS 14 HA CYS 14 3.940 -0.769 5.250
99 HB2 CYS 14 HB2 CYS 14 3.908 1.293 3.049
100 HB3 CYS 14 HB3 CYS 14 4.417 -0.389 2.951
101 H SER 15 H SER 15 6.248 -0.353 4.216
102 HA SER 15 HA SER 15 7.584 2.056 4.866
103 HB2 SER 15 HB2 SER 15 7.557 -0.122 6.916
104 HB3 SER 15 HB3 SER 15 9.039 0.806 6.688
105 HG SER 15 HG SER 15 6.508 1.675 7.556
106 H VAL 16 H VAL 16 7.674 0.804 2.565
107 HA VAL 16 HA VAL 16 9.379 -1.276 2.058
108 HB VAL 16 HB VAL 16 8.213 -0.353 0.221
109 HG11 VAL 16 HG11 VAL 16 9.679 2.234 0.730
110 HG12 VAL 16 HG12 VAL 16 8.571 1.926 -0.608
111 HG13 VAL 16 HG13 VAL 16 7.973 1.923 1.051
112 HG21 VAL 16 HG21 VAL 16 11.104 0.392 -0.201
113 HG22 VAL 16 HG22 VAL 16 10.475 -1.254 -0.269
114 HG23 VAL 16 HG23 VAL 16 9.930 -0.052 -1.440
115 H ASP 17 H ASP 17 11.307 -1.576 2.982
116 HA ASP 17 HA ASP 17 13.047 0.474 3.822
117 HB2 ASP 17 HB2 ASP 17 12.894 -2.183 4.310
118 HB3 ASP 17 HB3 ASP 17 14.245 -2.154 3.180
119 H TRP 18 H TRP 18 13.509 1.909 2.186
120 HA TRP 18 HA TRP 18 14.558 0.977 -0.342
121 HB2 TRP 18 HB2 TRP 18 13.983 3.689 0.825
122 HB3 TRP 18 HB3 TRP 18 14.896 3.522 -0.672
123 HD1 TRP 18 HD1 TRP 18 11.495 4.071 0.433
124 HE1 TRP 18 HE1 TRP 18 9.788 3.449 -1.390
125 HE3 TRP 18 HE3 TRP 18 14.551 1.375 -2.654
126 HZ2 TRP 18 HZ2 TRP 18 9.743 2.005 -3.815
127 HZ3 TRP 18 HZ3 TRP 18 13.598 0.407 -4.705
128 HH2 TRP 18 HH2 TRP 18 11.243 0.716 -5.272
129 H GLY 19 H GLY 19 16.304 -0.161 1.049
130 HA2 GLY 19 HA2 GLY 19 18.672 1.580 0.985
131 HA3 GLY 19 HA3 GLY 19 18.346 0.641 2.434
132 H LYS 20 H LYS 20 17.555 -1.766 1.461
133 HA LYS 20 HA LYS 20 20.014 -2.713 0.169
134 HB2 LYS 20 HB2 LYS 20 19.449 -4.909 1.075
135 HB3 LYS 20 HB3 LYS 20 19.472 -3.699 2.352
136 HG2 LYS 20 HG2 LYS 20 17.246 -3.862 2.740
137 HG3 LYS 20 HG3 LYS 20 16.866 -4.239 1.058
138 HD2 LYS 20 HD2 LYS 20 17.485 -6.497 1.317
139 HD3 LYS 20 HD3 LYS 20 18.314 -6.178 2.843
140 HE2 LYS 20 HE2 LYS 20 15.391 -5.619 2.614
141 HE3 LYS 20 HE3 LYS 20 15.939 -7.282 2.819
142 HZ1 LYS 20 HZ1 LYS 20 16.421 -6.923 4.950
143 HZ2 LYS 20 HZ2 LYS 20 15.510 -5.504 4.820
144 HZ3 LYS 20 HZ3 LYS 20 17.191 -5.448 4.638
145 H ALA 21 H ALA 21 17.682 -1.507 -1.227
146 HA ALA 21 HA ALA 21 16.927 -3.810 -2.905
147 HB1 ALA 21 HB1 ALA 21 15.404 -1.231 -2.868
148 HB2 ALA 21 HB2 ALA 21 14.863 -2.839 -3.353
149 HB3 ALA 21 HB3 ALA 21 15.118 -2.472 -1.647
150 H ILE 22 H ILE 22 18.281 -0.603 -2.828
151 HA ILE 22 HA ILE 22 18.272 -0.226 -5.673
152 HB ILE 22 HB ILE 22 19.795 1.219 -3.503
153 HG12 ILE 22 HG12 ILE 22 18.057 3.030 -4.306
154 HG13 ILE 22 HG13 ILE 22 17.149 1.620 -4.843
155 HG21 ILE 22 HG21 ILE 22 19.538 1.783 -6.448
156 HG22 ILE 22 HG22 ILE 22 20.076 2.981 -5.272
157 HG23 ILE 22 HG23 ILE 22 21.014 1.509 -5.522
158 HD11 ILE 22 HD11 ILE 22 16.939 0.798 -2.653
159 HD12 ILE 22 HD12 ILE 22 18.166 1.906 -2.036
160 HD13 ILE 22 HD13 ILE 22 16.598 2.525 -2.554
161 H GLY 23 H GLY 23 20.373 -1.729 -3.366
162 HA2 GLY 23 HA2 GLY 23 22.660 -1.741 -5.156
163 HA3 GLY 23 HA3 GLY 23 22.580 -2.468 -3.559
164 H ILE 24 H ILE 24 19.876 -3.394 -5.235
165 HA ILE 24 HA ILE 24 21.165 -5.912 -6.061
166 HB ILE 24 HB ILE 24 18.293 -5.495 -5.226
167 HG12 ILE 24 HG12 ILE 24 20.564 -6.841 -3.747
168 HG13 ILE 24 HG13 ILE 24 19.895 -5.261 -3.354
169 HG21 ILE 24 HG21 ILE 24 18.111 -7.907 -5.305
170 HG22 ILE 24 HG22 ILE 24 18.636 -7.294 -6.873
171 HG23 ILE 24 HG23 ILE 24 19.803 -8.044 -5.784
172 HD11 ILE 24 HD11 ILE 24 18.501 -7.918 -3.181
173 HD12 ILE 24 HD12 ILE 24 18.991 -6.872 -1.848
174 HD13 ILE 24 HD13 ILE 24 17.708 -6.361 -2.944
175 H ILE 25 H ILE 25 18.935 -3.374 -6.971
176 HA ILE 25 HA ILE 25 17.845 -4.508 -9.282
177 HB ILE 25 HB ILE 25 17.558 -2.120 -10.054
178 HG12 ILE 25 HG12 ILE 25 18.707 -1.469 -7.334
179 HG13 ILE 25 HG13 ILE 25 19.598 -1.286 -8.841
180 HG21 ILE 25 HG21 ILE 25 15.812 -1.680 -8.520
181 HG22 ILE 25 HG22 ILE 25 15.952 -3.435 -8.618
182 HG23 ILE 25 HG23 ILE 25 16.621 -2.573 -7.233
183 HD11 ILE 25 HD11 ILE 25 17.561 0.417 -7.646
184 HD12 ILE 25 HD12 ILE 25 18.822 0.799 -8.819
185 HD13 ILE 25 HD13 ILE 25 17.299 0.091 -9.359
186 H GLY 26 H GLY 26 20.952 -3.022 -8.695
187 HA2 GLY 26 HA2 GLY 26 21.752 -2.413 -11.289
188 HA3 GLY 26 HA3 GLY 26 22.839 -2.887 -9.993
189 H ASN 27 H ASN 27 21.333 -5.506 -9.797
190 HA ASN 27 HA ASN 27 22.943 -6.892 -11.771
191 HB2 ASN 27 HB2 ASN 27 21.412 -7.690 -9.330
192 HB3 ASN 27 HB3 ASN 27 21.785 -8.920 -10.534
193 HD21 ASN 27 HD21 ASN 27 23.652 -6.122 -9.441
194 HD22 ASN 27 HD22 ASN 27 25.019 -7.028 -8.896
195 H ASN 28 H ASN 28 19.531 -6.429 -10.991
196 HA ASN 28 HA ASN 28 18.374 -8.234 -12.740
197 HB2 ASN 28 HB2 ASN 28 17.478 -5.550 -11.718
198 HB3 ASN 28 HB3 ASN 28 16.478 -6.474 -12.836
199 HD21 ASN 28 HD21 ASN 28 18.093 -6.610 -9.711
200 HD22 ASN 28 HD22 ASN 28 16.997 -7.734 -8.990
201 H ALA 29 H ALA 29 18.997 -4.779 -13.383
202 HA ALA 29 HA ALA 29 18.347 -4.911 -16.125
203 HB1 ALA 29 HB1 ALA 29 20.048 -2.926 -14.622
204 HB2 ALA 29 HB2 ALA 29 19.476 -2.716 -16.278
205 HB3 ALA 29 HB3 ALA 29 18.319 -2.805 -14.951
206 H ALA 30 H ALA 30 21.354 -5.366 -14.364
207 HA ALA 30 HA ALA 30 23.206 -5.227 -16.411
208 HB1 ALA 30 HB1 ALA 30 23.086 -6.421 -13.762
209 HB2 ALA 30 HB2 ALA 30 24.138 -7.307 -14.867
210 HB3 ALA 30 HB3 ALA 30 24.415 -5.591 -14.572
211 H ALA 31 H ALA 31 20.848 -7.693 -15.742
212 HA ALA 31 HA ALA 31 21.991 -9.793 -17.246
213 HB1 ALA 31 HB1 ALA 31 20.121 -9.968 -15.555
214 HB2 ALA 31 HB2 ALA 31 19.044 -9.373 -16.819
215 HB3 ALA 31 HB3 ALA 31 19.911 -10.893 -17.042
216 H ASN 32 H ASN 32 19.644 -7.266 -18.084
217 HA ASN 32 HA ASN 32 19.469 -8.163 -20.823
218 HB2 ASN 32 HB2 ASN 32 17.771 -6.601 -21.091
219 HB3 ASN 32 HB3 ASN 32 17.642 -6.978 -19.375
220 HD21 ASN 32 HD21 ASN 32 17.817 -5.381 -17.942
221 HD22 ASN 32 HD22 ASN 32 18.257 -3.753 -18.318
222 H LEU 33 H LEU 33 21.337 -5.902 -18.995
223 HA LEU 33 HA LEU 33 22.108 -4.167 -21.087
224 HB2 LEU 33 HB2 LEU 33 23.023 -4.769 -18.347
225 HB3 LEU 33 HB3 LEU 33 24.222 -4.052 -19.421
226 HG LEU 33 HG LEU 33 21.912 -2.488 -19.707
227 HD11 LEU 33 HD11 LEU 33 20.827 -3.106 -17.780
228 HD12 LEU 33 HD12 LEU 33 21.826 -1.777 -17.194
229 HD13 LEU 33 HD13 LEU 33 22.325 -3.445 -16.913
230 HD21 LEU 33 HD21 LEU 33 24.405 -1.921 -19.703
231 HD22 LEU 33 HD22 LEU 33 24.249 -1.810 -17.949
232 HD23 LEU 33 HD23 LEU 33 23.300 -0.747 -18.989
233 H THR 34 H THR 34 23.817 -6.924 -19.609
234 HA THR 34 HA THR 34 26.063 -6.958 -21.210
235 HB THR 34 HB THR 34 25.951 -8.427 -19.320
236 HG1 THR 34 HG1 THR 34 25.893 -10.285 -21.432
237 HG21 THR 34 HG21 THR 34 23.485 -8.840 -19.479
238 HG22 THR 34 HG22 THR 34 24.442 -10.280 -19.131
239 HG23 THR 34 HG23 THR 34 23.820 -10.006 -20.758
240 H THR 35 H THR 35 22.897 -8.415 -21.835
241 HA THR 35 HA THR 35 23.719 -9.534 -24.356
242 HB THR 35 HB THR 35 21.968 -10.631 -23.035
243 HG1 THR 35 HG1 THR 35 21.636 -11.178 -25.089
244 HG21 THR 35 HG21 THR 35 20.958 -8.577 -22.092
245 HG22 THR 35 HG22 THR 35 19.759 -9.658 -22.803
246 HG23 THR 35 HG23 THR 35 20.273 -8.215 -23.675
247 H GLY 36 H GLY 36 22.470 -6.519 -23.259
248 HA2 GLY 36 HA2 GLY 36 22.939 -4.826 -25.161
249 HA3 GLY 36 HA3 GLY 36 21.697 -5.752 -25.991
250 H GLY 37 H GLY 37 19.543 -5.778 -25.076
251 HA2 GLY 37 HA2 GLY 37 18.455 -4.583 -22.958
252 HA3 GLY 37 HA3 GLY 37 18.890 -3.183 -23.926
253 H LYS 38 H LYS 38 16.599 -2.710 -23.936
254 HA LYS 38 HA LYS 38 15.221 -4.180 -26.076
255 HB2 LYS 38 HB2 LYS 38 14.146 -3.413 -23.374
256 HB3 LYS 38 HB3 LYS 38 13.071 -3.635 -24.748
257 HG2 LYS 38 HG2 LYS 38 15.006 -5.739 -23.818
258 HG3 LYS 38 HG3 LYS 38 13.343 -5.622 -23.239
259 HD2 LYS 38 HD2 LYS 38 13.826 -5.649 -26.177
260 HD3 LYS 38 HD3 LYS 38 13.984 -7.164 -25.284
261 HE2 LYS 38 HE2 LYS 38 11.761 -7.238 -25.831
262 HE3 LYS 38 HE3 LYS 38 11.674 -6.424 -24.270
263 HZ1 LYS 38 HZ1 LYS 38 10.541 -5.507 -26.513
264 HZ2 LYS 38 HZ2 LYS 38 12.010 -4.669 -26.545
265 HZ3 LYS 38 HZ3 LYS 38 10.983 -4.525 -25.208
266 H ALA 39 H ALA 39 15.174 -1.227 -24.088
267 HA ALA 39 HA ALA 39 14.441 0.275 -26.516
268 HB1 ALA 39 HB1 ALA 39 13.611 1.601 -24.087
269 HB2 ALA 39 HB2 ALA 39 12.672 1.186 -25.521
270 HB3 ALA 39 HB3 ALA 39 12.881 0.002 -24.231
271 H GLY 40 H GLY 40 15.040 2.613 -26.387
272 HA2 GLY 40 HA2 GLY 40 17.065 3.416 -24.520
273 HA3 GLY 40 HA3 GLY 40 17.733 3.007 -26.093
274 H TRP 41 H TRP 41 14.574 4.458 -25.616
275 HA TRP 41 HA TRP 41 14.934 6.453 -27.521
276 HB2 TRP 41 HB2 TRP 41 12.956 7.557 -26.408
277 HB3 TRP 41 HB3 TRP 41 12.715 5.872 -26.858
278 HD1 TRP 41 HD1 TRP 41 14.144 7.523 -23.634
279 HE1 TRP 41 HE1 TRP 41 12.954 6.457 -21.616
280 HE3 TRP 41 HE3 TRP 41 11.001 4.354 -26.127
281 HZ2 TRP 41 HZ2 TRP 41 10.948 4.528 -21.144
282 HZ3 TRP 41 HZ3 TRP 41 9.478 2.932 -24.818
283 HH2 TRP 41 HH2 TRP 41 9.454 3.019 -22.378
284 H LYS 42 H LYS 42 14.533 8.886 -26.845
285 HA LYS 42 HA LYS 42 16.595 9.566 -24.850
286 HB2 LYS 42 HB2 LYS 42 16.857 11.688 -26.244
287 HB3 LYS 42 HB3 LYS 42 17.480 10.198 -26.940
288 HG2 LYS 42 HG2 LYS 42 15.699 10.038 -28.463
289 HG3 LYS 42 HG3 LYS 42 14.742 11.240 -27.593
290 HD2 LYS 42 HD2 LYS 42 15.528 12.517 -29.328
291 HD3 LYS 42 HD3 LYS 42 16.803 12.787 -28.137
292 HE2 LYS 42 HE2 LYS 42 17.930 12.316 -30.142
293 HE3 LYS 42 HE3 LYS 42 18.004 10.819 -29.214
294 HZ1 LYS 42 HZ1 LYS 42 15.675 10.758 -30.747
295 HZ2 LYS 42 HZ2 LYS 42 17.049 9.785 -30.903
296 HZ3 LYS 42 HZ3 LYS 42 16.934 11.230 -31.774
297 H GLY 43 H GLY 43 14.759 9.507 -23.319
298 HA2 GLY 43 HA2 GLY 43 12.712 11.520 -23.561
299 HA3 GLY 43 HA3 GLY 43 12.984 10.467 -22.181
Start of MODEL 10
1 H1 LYS 1 H LYS 1 2.719 -0.135 -0.126
2 HA LYS 1 HA LYS 1 1.332 -2.260 1.306
3 HB2 LYS 1 HB2 LYS 1 0.539 -2.992 -0.812
4 HB3 LYS 1 HB3 LYS 1 0.438 -1.237 -0.824
5 HG2 LYS 1 HG2 LYS 1 2.797 -1.403 -1.936
6 HG3 LYS 1 HG3 LYS 1 2.269 -3.042 -2.327
7 HD2 LYS 1 HD2 LYS 1 1.592 -1.820 -4.183
8 HD3 LYS 1 HD3 LYS 1 0.126 -1.890 -3.203
9 HE2 LYS 1 HE2 LYS 1 0.190 0.340 -3.772
10 HE3 LYS 1 HE3 LYS 1 1.019 0.353 -2.216
11 HZ1 LYS 1 HZ1 LYS 1 2.816 1.172 -3.186
12 HZ2 LYS 1 HZ2 LYS 1 1.978 1.268 -4.652
13 HZ3 LYS 1 HZ3 LYS 1 2.880 -0.115 -4.283
14 H TYR 2 H TYR 2 1.801 -4.473 -0.158
15 HA TYR 2 HA TYR 2 4.500 -5.161 0.651
16 HB2 TYR 2 HB2 TYR 2 2.655 -6.680 1.203
17 HB3 TYR 2 HB3 TYR 2 2.292 -6.875 -0.508
18 HD1 TYR 2 HD2 TYR 2 5.591 -6.869 1.224
19 HD2 TYR 2 HD1 TYR 2 2.717 -9.120 -0.961
20 HE1 TYR 2 HE2 TYR 2 7.164 -8.756 1.111
21 HE2 TYR 2 HE1 TYR 2 4.282 -11.014 -1.079
22 HH TYR 2 HH TYR 2 7.593 -10.723 -0.126
23 H TYR 3 H TYR 3 5.895 -4.259 -0.814
24 HA TYR 3 HA TYR 3 5.500 -4.394 -3.635
25 HB2 TYR 3 HB2 TYR 3 7.748 -3.553 -1.844
26 HB3 TYR 3 HB3 TYR 3 8.053 -3.785 -3.562
27 HD1 TYR 3 HD2 TYR 3 5.216 -2.278 -1.646
28 HD2 TYR 3 HD1 TYR 3 8.206 -1.746 -4.626
29 HE1 TYR 3 HE2 TYR 3 4.355 -0.019 -2.099
30 HE2 TYR 3 HE1 TYR 3 7.354 0.515 -5.087
31 HH TYR 3 HH TYR 3 6.031 2.194 -4.227
32 H GLY 4 H GLY 4 7.296 -6.305 -1.283
33 HA2 GLY 4 HA2 GLY 4 7.554 -8.680 -1.696
34 HA3 GLY 4 HA3 GLY 4 7.757 -8.306 -3.401
35 H ASN 5 H ASN 5 9.328 -6.271 -1.103
36 HA ASN 5 HA ASN 5 11.884 -7.630 -1.648
37 HB2 ASN 5 HB2 ASN 5 12.928 -5.338 -1.606
38 HB3 ASN 5 HB3 ASN 5 11.873 -5.641 -2.983
39 HD21 ASN 5 HD21 ASN 5 12.227 -3.959 0.045
40 HD22 ASN 5 HD22 ASN 5 10.951 -2.822 -0.210
41 H GLY 6 H GLY 6 10.007 -7.760 0.659
42 HA2 GLY 6 HA2 GLY 6 10.701 -8.297 2.878
43 HA3 GLY 6 HA3 GLY 6 11.997 -7.120 2.723
44 H VAL 7 H VAL 7 8.902 -6.156 1.595
45 HA VAL 7 HA VAL 7 8.722 -4.217 3.761
46 HB VAL 7 HB VAL 7 6.860 -4.414 1.403
47 HG11 VAL 7 HG11 VAL 7 6.815 -2.816 3.630
48 HG12 VAL 7 HG12 VAL 7 7.628 -1.796 2.442
49 HG13 VAL 7 HG13 VAL 7 6.029 -2.455 2.094
50 HG21 VAL 7 HG21 VAL 7 8.624 -4.053 0.079
51 HG22 VAL 7 HG22 VAL 7 8.656 -2.432 0.773
52 HG23 VAL 7 HG23 VAL 7 9.686 -3.698 1.442
53 H SER 8 H SER 8 7.040 -4.057 5.194
54 HA SER 8 HA SER 8 4.781 -5.869 5.002
55 HB2 SER 8 HB2 SER 8 6.488 -7.229 6.147
56 HB3 SER 8 HB3 SER 8 6.671 -5.969 7.367
57 HG SER 8 HG SER 8 4.787 -7.915 7.159
58 H CYS 9 H CYS 9 3.006 -4.837 5.626
59 HA CYS 9 HA CYS 9 2.719 -3.299 7.937
60 HB2 CYS 9 HB2 CYS 9 2.420 -1.036 6.803
61 HB3 CYS 9 HB3 CYS 9 4.076 -1.590 7.021
62 H ASN 10 H ASN 10 0.665 -1.814 7.715
63 HA ASN 10 HA ASN 10 -1.239 -2.898 5.786
64 HB2 ASN 10 HB2 ASN 10 -1.972 -2.829 8.707
65 HB3 ASN 10 HB3 ASN 10 -2.808 -3.640 7.386
66 HD21 ASN 10 HD21 ASN 10 -0.038 -3.722 9.504
67 HD22 ASN 10 HD22 ASN 10 0.338 -5.392 9.267
68 H LYS 11 H LYS 11 -1.406 -0.968 8.779
69 HA LYS 11 HA LYS 11 -1.894 1.469 7.351
70 HB2 LYS 11 HB2 LYS 11 -4.172 1.842 8.233
71 HB3 LYS 11 HB3 LYS 11 -4.100 0.493 7.107
72 HG2 LYS 11 HG2 LYS 11 -4.192 -1.090 8.906
73 HG3 LYS 11 HG3 LYS 11 -4.067 0.201 10.103
74 HD2 LYS 11 HD2 LYS 11 -6.360 -0.451 9.979
75 HD3 LYS 11 HD3 LYS 11 -6.213 1.126 9.200
76 HE2 LYS 11 HE2 LYS 11 -6.246 0.098 7.018
77 HE3 LYS 11 HE3 LYS 11 -6.233 -1.511 7.737
78 HZ1 LYS 11 HZ1 LYS 11 -8.420 0.463 7.669
79 HZ2 LYS 11 HZ2 LYS 11 -8.388 -0.731 8.866
80 HZ3 LYS 11 HZ3 LYS 11 -8.448 -1.172 7.234
81 H LYS 12 H LYS 12 0.074 0.968 9.102
82 HA LYS 12 HA LYS 12 -0.559 2.794 11.268
83 HB2 LYS 12 HB2 LYS 12 0.539 1.253 12.945
84 HB3 LYS 12 HB3 LYS 12 -1.060 0.766 12.398
85 HG2 LYS 12 HG2 LYS 12 0.061 -0.767 10.767
86 HG3 LYS 12 HG3 LYS 12 1.591 -0.381 11.559
87 HD2 LYS 12 HD2 LYS 12 0.026 -1.026 13.691
88 HD3 LYS 12 HD3 LYS 12 -0.619 -2.100 12.447
89 HE2 LYS 12 HE2 LYS 12 2.311 -1.853 13.110
90 HE3 LYS 12 HE3 LYS 12 1.243 -3.071 13.807
91 HZ1 LYS 12 HZ1 LYS 12 1.603 -4.320 12.034
92 HZ2 LYS 12 HZ2 LYS 12 2.578 -3.126 11.338
93 HZ3 LYS 12 HZ3 LYS 12 0.913 -3.138 11.040
94 H GLY 13 H GLY 13 1.926 0.650 9.887
95 HA2 GLY 13 HA2 GLY 13 3.725 2.821 9.455
96 HA3 GLY 13 HA3 GLY 13 4.198 1.878 10.861
97 H CYS 14 H CYS 14 5.721 2.191 8.471
98 HA CYS 14 HA CYS 14 5.697 -0.582 7.473
99 HB2 CYS 14 HB2 CYS 14 5.922 1.998 6.054
100 HB3 CYS 14 HB3 CYS 14 7.054 0.754 5.536
101 H SER 15 H SER 15 7.707 -1.589 7.125
102 HA SER 15 HA SER 15 10.083 -0.205 8.129
103 HB2 SER 15 HB2 SER 15 8.716 -1.861 9.800
104 HB3 SER 15 HB3 SER 15 9.830 -3.001 9.046
105 HG SER 15 HG SER 15 10.337 -1.266 10.977
106 H VAL 16 H VAL 16 9.484 -0.741 5.481
107 HA VAL 16 HA VAL 16 10.270 -3.091 4.330
108 HB VAL 16 HB VAL 16 9.511 -1.417 2.867
109 HG11 VAL 16 HG11 VAL 16 11.759 0.321 3.877
110 HG12 VAL 16 HG12 VAL 16 10.663 0.746 2.561
111 HG13 VAL 16 HG13 VAL 16 10.038 0.532 4.196
112 HG21 VAL 16 HG21 VAL 16 12.468 -1.488 2.311
113 HG22 VAL 16 HG22 VAL 16 11.400 -2.863 2.031
114 HG23 VAL 16 HG23 VAL 16 11.148 -1.357 1.149
115 H ASP 17 H ASP 17 11.965 -4.296 4.894
116 HA ASP 17 HA ASP 17 14.363 -3.326 5.998
117 HB2 ASP 17 HB2 ASP 17 13.289 -5.907 5.149
118 HB3 ASP 17 HB3 ASP 17 15.028 -5.776 4.901
119 H TRP 18 H TRP 18 15.317 -1.751 4.758
120 HA TRP 18 HA TRP 18 15.916 -2.261 1.966
121 HB2 TRP 18 HB2 TRP 18 16.302 0.087 3.804
122 HB3 TRP 18 HB3 TRP 18 17.095 0.030 2.232
123 HD1 TRP 18 HD1 TRP 18 14.141 1.431 3.716
124 HE1 TRP 18 HE1 TRP 18 12.291 1.859 1.978
125 HE3 TRP 18 HE3 TRP 18 15.958 -1.417 -0.121
126 HZ2 TRP 18 HZ2 TRP 18 11.682 1.090 -0.669
127 HZ3 TRP 18 HZ3 TRP 18 14.681 -1.518 -2.222
128 HH2 TRP 18 HH2 TRP 18 12.588 -0.290 -2.488
129 H GLY 19 H GLY 19 17.195 -4.222 2.827
130 HA2 GLY 19 HA2 GLY 19 20.008 -3.378 3.013
131 HA3 GLY 19 HA3 GLY 19 19.386 -4.565 4.149
132 H LYS 20 H LYS 20 17.766 -6.063 2.441
133 HA LYS 20 HA LYS 20 19.816 -7.532 0.991
134 HB2 LYS 20 HB2 LYS 20 16.935 -8.194 1.622
135 HB3 LYS 20 HB3 LYS 20 18.031 -9.262 0.755
136 HG2 LYS 20 HG2 LYS 20 19.538 -9.099 2.806
137 HG3 LYS 20 HG3 LYS 20 18.137 -8.405 3.626
138 HD2 LYS 20 HD2 LYS 20 17.967 -10.670 4.122
139 HD3 LYS 20 HD3 LYS 20 16.881 -10.484 2.743
140 HE2 LYS 20 HE2 LYS 20 18.662 -11.270 1.251
141 HE3 LYS 20 HE3 LYS 20 19.731 -11.470 2.639
142 HZ1 LYS 20 HZ1 LYS 20 18.070 -13.367 1.614
143 HZ2 LYS 20 HZ2 LYS 20 17.228 -12.817 2.973
144 HZ3 LYS 20 HZ3 LYS 20 18.802 -13.413 3.138
145 H ALA 21 H ALA 21 16.959 -5.622 0.377
146 HA ALA 21 HA ALA 21 16.672 -6.378 -2.365
147 HB1 ALA 21 HB1 ALA 21 15.636 -3.799 -1.261
148 HB2 ALA 21 HB2 ALA 21 14.917 -4.872 -2.463
149 HB3 ALA 21 HB3 ALA 21 14.925 -5.333 -0.760
150 H ILE 22 H ILE 22 18.562 -4.033 -0.641
151 HA ILE 22 HA ILE 22 19.084 -2.185 -2.669
152 HB ILE 22 HB ILE 22 20.958 -3.083 -0.477
153 HG12 ILE 22 HG12 ILE 22 18.821 -2.310 0.417
154 HG13 ILE 22 HG13 ILE 22 20.083 -1.130 0.754
155 HG21 ILE 22 HG21 ILE 22 21.869 -0.744 -0.779
156 HG22 ILE 22 HG22 ILE 22 22.230 -1.889 -2.070
157 HG23 ILE 22 HG23 ILE 22 20.962 -0.684 -2.290
158 HD11 ILE 22 HD11 ILE 22 19.275 0.097 -1.311
159 HD12 ILE 22 HD12 ILE 22 17.868 -0.965 -1.258
160 HD13 ILE 22 HD13 ILE 22 18.212 0.111 0.096
161 H GLY 23 H GLY 23 20.317 -5.398 -2.141
162 HA2 GLY 23 HA2 GLY 23 22.406 -5.045 -4.155
163 HA3 GLY 23 HA3 GLY 23 22.166 -6.464 -3.147
164 H ILE 24 H ILE 24 19.380 -5.157 -4.674
165 HA ILE 24 HA ILE 24 19.426 -7.386 -6.600
166 HB ILE 24 HB ILE 24 16.991 -5.967 -5.518
167 HG12 ILE 24 HG12 ILE 24 18.190 -7.227 -3.756
168 HG13 ILE 24 HG13 ILE 24 16.623 -7.936 -4.133
169 HG21 ILE 24 HG21 ILE 24 16.245 -8.450 -6.439
170 HG22 ILE 24 HG22 ILE 24 16.029 -6.921 -7.290
171 HG23 ILE 24 HG23 ILE 24 17.441 -7.923 -7.623
172 HD11 ILE 24 HD11 ILE 24 19.003 -9.277 -3.971
173 HD12 ILE 24 HD12 ILE 24 17.538 -9.863 -4.758
174 HD13 ILE 24 HD13 ILE 24 18.790 -9.064 -5.709
175 H ILE 25 H ILE 25 18.992 -3.960 -6.187
176 HA ILE 25 HA ILE 25 17.823 -3.343 -8.668
177 HB ILE 25 HB ILE 25 18.846 -1.066 -8.328
178 HG12 ILE 25 HG12 ILE 25 19.765 -2.233 -5.696
179 HG13 ILE 25 HG13 ILE 25 20.836 -1.944 -7.062
180 HG21 ILE 25 HG21 ILE 25 17.469 -0.556 -6.339
181 HG22 ILE 25 HG22 ILE 25 16.626 -1.553 -7.524
182 HG23 ILE 25 HG23 ILE 25 17.281 -2.287 -6.060
183 HD11 ILE 25 HD11 ILE 25 21.194 0.028 -6.088
184 HD12 ILE 25 HD12 ILE 25 19.634 0.479 -6.777
185 HD13 ILE 25 HD13 ILE 25 19.733 -0.081 -5.107
186 H GLY 26 H GLY 26 21.113 -4.046 -7.741
187 HA2 GLY 26 HA2 GLY 26 22.492 -2.943 -9.908
188 HA3 GLY 26 HA3 GLY 26 23.020 -4.339 -8.981
189 H ASN 27 H ASN 27 20.666 -5.927 -9.660
190 HA ASN 27 HA ASN 27 21.625 -6.953 -12.175
191 HB2 ASN 27 HB2 ASN 27 19.354 -7.841 -10.383
192 HB3 ASN 27 HB3 ASN 27 19.883 -8.705 -11.824
193 HD21 ASN 27 HD21 ASN 27 22.575 -8.578 -11.663
194 HD22 ASN 27 HD22 ASN 27 23.133 -9.405 -10.252
195 H ASN 28 H ASN 28 18.854 -5.146 -11.025
196 HA ASN 28 HA ASN 28 17.313 -5.425 -13.413
197 HB2 ASN 28 HB2 ASN 28 17.129 -3.800 -10.920
198 HB3 ASN 28 HB3 ASN 28 16.217 -3.255 -12.324
199 HD21 ASN 28 HD21 ASN 28 16.332 -5.392 -9.713
200 HD22 ASN 28 HD22 ASN 28 14.933 -6.328 -10.100
201 H ALA 29 H ALA 29 19.307 -2.803 -12.070
202 HA ALA 29 HA ALA 29 18.974 -1.071 -14.293
203 HB1 ALA 29 HB1 ALA 29 21.289 -1.016 -12.375
204 HB2 ALA 29 HB2 ALA 29 20.576 0.327 -13.270
205 HB3 ALA 29 HB3 ALA 29 19.682 -0.427 -11.949
206 H ALA 30 H ALA 30 21.181 -3.669 -13.564
207 HA ALA 30 HA ALA 30 23.283 -3.124 -15.287
208 HB1 ALA 30 HB1 ALA 30 22.216 -5.473 -13.940
209 HB2 ALA 30 HB2 ALA 30 23.013 -5.855 -15.466
210 HB3 ALA 30 HB3 ALA 30 23.888 -4.982 -14.209
211 H ALA 31 H ALA 31 20.136 -4.564 -15.973
212 HA ALA 31 HA ALA 31 20.628 -5.393 -18.605
213 HB1 ALA 31 HB1 ALA 31 18.364 -5.156 -16.865
214 HB2 ALA 31 HB2 ALA 31 17.943 -4.579 -18.478
215 HB3 ALA 31 HB3 ALA 31 18.591 -6.205 -18.265
216 H ASN 32 H ASN 32 20.040 -2.250 -17.260
217 HA ASN 32 HA ASN 32 19.371 -1.024 -19.785
218 HB2 ASN 32 HB2 ASN 32 20.027 0.181 -17.088
219 HB3 ASN 32 HB3 ASN 32 19.486 1.100 -18.490
220 HD21 ASN 32 HD21 ASN 32 18.237 0.857 -15.900
221 HD22 ASN 32 HD22 ASN 32 16.663 0.198 -16.171
222 H LEU 33 H LEU 33 22.225 -1.616 -17.901
223 HA LEU 33 HA LEU 33 23.858 0.303 -19.295
224 HB2 LEU 33 HB2 LEU 33 24.434 -1.894 -17.331
225 HB3 LEU 33 HB3 LEU 33 25.724 -0.989 -18.119
226 HG LEU 33 HG LEU 33 23.589 0.457 -16.599
227 HD11 LEU 33 HD11 LEU 33 25.855 -1.137 -15.481
228 HD12 LEU 33 HD12 LEU 33 24.199 -0.978 -14.898
229 HD13 LEU 33 HD13 LEU 33 25.339 0.350 -14.686
230 HD21 LEU 33 HD21 LEU 33 26.497 1.133 -16.751
231 HD22 LEU 33 HD22 LEU 33 25.108 2.197 -16.529
232 HD23 LEU 33 HD23 LEU 33 25.433 1.488 -18.112
233 H THR 34 H THR 34 23.612 -3.247 -19.240
234 HA THR 34 HA THR 34 25.471 -3.573 -21.399
235 HB THR 34 HB THR 34 25.294 -5.353 -19.786
236 HG1 THR 34 HG1 THR 34 25.630 -6.688 -21.383
237 HG21 THR 34 HG21 THR 34 22.474 -4.888 -20.076
238 HG22 THR 34 HG22 THR 34 23.327 -5.827 -18.851
239 HG23 THR 34 HG23 THR 34 22.834 -6.590 -20.362
240 H THR 35 H THR 35 22.040 -3.159 -21.108
241 HA THR 35 HA THR 35 20.330 -3.142 -22.621
242 HB THR 35 HB THR 35 20.693 -1.910 -24.606
243 HG1 THR 35 HG1 THR 35 22.348 -3.006 -25.597
244 HG21 THR 35 HG21 THR 35 21.163 -0.699 -22.463
245 HG22 THR 35 HG22 THR 35 21.955 -0.006 -23.879
246 HG23 THR 35 HG23 THR 35 22.879 -0.988 -22.743
247 H GLY 36 H GLY 36 21.523 -5.689 -22.268
248 HA2 GLY 36 HA2 GLY 36 22.036 -6.953 -24.769
249 HA3 GLY 36 HA3 GLY 36 21.691 -7.764 -23.249
250 H GLY 37 H GLY 37 19.247 -7.310 -22.565
251 HA2 GLY 37 HA2 GLY 37 17.678 -8.305 -24.833
252 HA3 GLY 37 HA3 GLY 37 17.249 -8.458 -23.136
253 H LYS 38 H LYS 38 17.993 -5.767 -25.358
254 HA LYS 38 HA LYS 38 15.462 -4.516 -24.521
255 HB2 LYS 38 HB2 LYS 38 17.649 -3.507 -23.570
256 HB3 LYS 38 HB3 LYS 38 17.904 -2.900 -25.200
257 HG2 LYS 38 HG2 LYS 38 15.744 -1.729 -25.078
258 HG3 LYS 38 HG3 LYS 38 15.552 -2.297 -23.418
259 HD2 LYS 38 HD2 LYS 38 17.973 -0.742 -24.274
260 HD3 LYS 38 HD3 LYS 38 16.483 0.068 -23.783
261 HE2 LYS 38 HE2 LYS 38 17.802 -2.012 -22.064
262 HE3 LYS 38 HE3 LYS 38 18.276 -0.316 -21.997
263 HZ1 LYS 38 HZ1 LYS 38 15.446 -1.086 -21.707
264 HZ2 LYS 38 HZ2 LYS 38 16.229 0.310 -21.163
265 HZ3 LYS 38 HZ3 LYS 38 16.493 -1.166 -20.380
266 H ALA 39 H ALA 39 14.477 -3.118 -26.079
267 HA ALA 39 HA ALA 39 15.519 -2.860 -28.724
268 HB1 ALA 39 HB1 ALA 39 14.677 -4.634 -29.755
269 HB2 ALA 39 HB2 ALA 39 14.196 -5.272 -28.182
270 HB3 ALA 39 HB3 ALA 39 13.067 -4.294 -29.120
271 H GLY 40 H GLY 40 14.180 -1.565 -30.092
272 HA2 GLY 40 HA2 GLY 40 12.061 -0.415 -30.445
273 HA3 GLY 40 HA3 GLY 40 11.907 -0.296 -28.699
274 H TRP 41 H TRP 41 14.364 0.555 -31.143
275 HA TRP 41 HA TRP 41 14.372 3.282 -30.049
276 HB2 TRP 41 HB2 TRP 41 16.893 3.267 -30.438
277 HB3 TRP 41 HB3 TRP 41 16.306 2.348 -29.056
278 HD1 TRP 41 HD1 TRP 41 16.464 1.174 -32.746
279 HE1 TRP 41 HE1 TRP 41 17.899 -0.961 -32.838
280 HE3 TRP 41 HE3 TRP 41 17.917 0.961 -27.849
281 HZ2 TRP 41 HZ2 TRP 41 19.442 -2.528 -31.068
282 HZ3 TRP 41 HZ3 TRP 41 19.372 -0.888 -27.130
283 HH2 TRP 41 HH2 TRP 41 20.117 -2.596 -28.708
284 H LYS 42 H LYS 42 13.056 2.285 -32.378
285 HA LYS 42 HA LYS 42 12.738 2.784 -34.575
286 HB2 LYS 42 HB2 LYS 42 13.374 5.105 -33.402
287 HB3 LYS 42 HB3 LYS 42 14.733 4.987 -34.512
288 HG2 LYS 42 HG2 LYS 42 12.030 4.521 -35.626
289 HG3 LYS 42 HG3 LYS 42 12.450 6.172 -35.164
290 HD2 LYS 42 HD2 LYS 42 14.574 5.848 -36.524
291 HD3 LYS 42 HD3 LYS 42 13.817 4.388 -37.165
292 HE2 LYS 42 HE2 LYS 42 11.943 5.719 -37.990
293 HE3 LYS 42 HE3 LYS 42 12.678 7.178 -37.328
294 HZ1 LYS 42 HZ1 LYS 42 13.557 7.366 -39.360
295 HZ2 LYS 42 HZ2 LYS 42 13.298 5.741 -39.752
296 HZ3 LYS 42 HZ3 LYS 42 14.658 6.188 -38.850
297 H GLY 43 H GLY 43 14.467 0.734 -34.237
298 HA2 GLY 43 HA2 GLY 43 15.922 -0.513 -35.518
299 HA3 GLY 43 HA3 GLY 43 15.976 0.820 -36.661
Start of MODEL 11
1 H1 LYS 1 H LYS 1 0.222 -3.845 -0.709
2 HA LYS 1 HA LYS 1 0.659 -3.881 -3.623
3 HB2 LYS 1 HB2 LYS 1 2.074 -2.151 -1.586
4 HB3 LYS 1 HB3 LYS 1 2.421 -2.197 -3.310
5 HG2 LYS 1 HG2 LYS 1 -0.135 -1.590 -3.495
6 HG3 LYS 1 HG3 LYS 1 0.134 -0.973 -1.863
7 HD2 LYS 1 HD2 LYS 1 1.816 -0.231 -4.254
8 HD3 LYS 1 HD3 LYS 1 0.449 0.722 -3.670
9 HE2 LYS 1 HE2 LYS 1 1.583 0.918 -1.478
10 HE3 LYS 1 HE3 LYS 1 2.969 0.061 -2.149
11 HZ1 LYS 1 HZ1 LYS 1 2.193 2.808 -2.459
12 HZ2 LYS 1 HZ2 LYS 1 2.551 2.057 -3.931
13 HZ3 LYS 1 HZ3 LYS 1 3.702 2.079 -2.691
14 H TYR 2 H TYR 2 2.588 -4.795 -4.369
15 HA TYR 2 HA TYR 2 4.509 -5.892 -2.526
16 HB2 TYR 2 HB2 TYR 2 2.745 -7.590 -2.394
17 HB3 TYR 2 HB3 TYR 2 2.764 -7.760 -4.146
18 HD1 TYR 2 HD2 TYR 2 5.578 -7.545 -1.705
19 HD2 TYR 2 HD1 TYR 2 3.524 -9.909 -4.586
20 HE1 TYR 2 HE2 TYR 2 7.313 -9.277 -1.513
21 HE2 TYR 2 HE1 TYR 2 5.253 -11.648 -4.400
22 HH TYR 2 HH TYR 2 7.171 -12.094 -2.078
23 H TYR 3 H TYR 3 6.457 -6.025 -3.464
24 HA TYR 3 HA TYR 3 6.575 -5.727 -6.391
25 HB2 TYR 3 HB2 TYR 3 8.393 -4.767 -4.192
26 HB3 TYR 3 HB3 TYR 3 8.948 -4.875 -5.859
27 HD1 TYR 3 HD2 TYR 3 5.935 -3.574 -4.055
28 HD2 TYR 3 HD1 TYR 3 8.898 -2.899 -7.032
29 HE1 TYR 3 HE2 TYR 3 4.959 -1.364 -4.516
30 HE2 TYR 3 HE1 TYR 3 7.931 -0.686 -7.501
31 HH TYR 3 HH TYR 3 6.363 0.788 -6.973
32 H GLY 4 H GLY 4 8.714 -6.953 -3.805
33 HA2 GLY 4 HA2 GLY 4 8.808 -9.600 -4.378
34 HA3 GLY 4 HA3 GLY 4 9.856 -8.902 -5.603
35 H ASN 5 H ASN 5 10.767 -6.758 -3.807
36 HA ASN 5 HA ASN 5 13.016 -8.084 -2.714
37 HB2 ASN 5 HB2 ASN 5 13.689 -5.910 -1.893
38 HB3 ASN 5 HB3 ASN 5 13.021 -5.723 -3.511
39 HD21 ASN 5 HD21 ASN 5 11.621 -4.149 -3.772
40 HD22 ASN 5 HD22 ASN 5 10.680 -3.405 -2.529
41 H GLY 6 H GLY 6 9.908 -7.222 -1.435
42 HA2 GLY 6 HA2 GLY 6 9.413 -8.741 0.557
43 HA3 GLY 6 HA3 GLY 6 10.808 -7.951 1.278
44 H VAL 7 H VAL 7 8.350 -6.407 -0.723
45 HA VAL 7 HA VAL 7 7.889 -4.446 1.354
46 HB VAL 7 HB VAL 7 6.507 -4.643 -1.322
47 HG11 VAL 7 HG11 VAL 7 6.477 -2.743 0.901
48 HG12 VAL 7 HG12 VAL 7 6.747 -2.000 -0.676
49 HG13 VAL 7 HG13 VAL 7 5.312 -2.988 -0.400
50 HG21 VAL 7 HG21 VAL 7 8.547 -4.324 -2.196
51 HG22 VAL 7 HG22 VAL 7 8.379 -2.675 -1.594
52 HG23 VAL 7 HG23 VAL 7 9.250 -3.876 -0.642
53 H SER 8 H SER 8 5.887 -3.982 2.310
54 HA SER 8 HA SER 8 3.601 -5.668 1.845
55 HB2 SER 8 HB2 SER 8 4.563 -7.255 3.252
56 HB3 SER 8 HB3 SER 8 5.345 -6.036 4.258
57 HG SER 8 HG SER 8 3.593 -6.888 5.368
58 H CYS 9 H CYS 9 1.726 -4.748 2.555
59 HA CYS 9 HA CYS 9 1.887 -2.435 4.342
60 HB2 CYS 9 HB2 CYS 9 0.372 -2.350 1.728
61 HB3 CYS 9 HB3 CYS 9 0.586 -1.034 2.878
62 H ASN 10 H ASN 10 -0.095 -1.896 5.374
63 HA ASN 10 HA ASN 10 -2.278 -3.828 5.061
64 HB2 ASN 10 HB2 ASN 10 -2.345 -3.578 7.729
65 HB3 ASN 10 HB3 ASN 10 -1.433 -4.849 6.921
66 HD21 ASN 10 HD21 ASN 10 0.820 -4.647 6.737
67 HD22 ASN 10 HD22 ASN 10 1.715 -3.599 7.780
68 H LYS 11 H LYS 11 -1.599 -1.271 7.434
69 HA LYS 11 HA LYS 11 -3.756 0.344 6.286
70 HB2 LYS 11 HB2 LYS 11 -4.474 0.787 8.733
71 HB3 LYS 11 HB3 LYS 11 -4.998 -0.702 7.957
72 HG2 LYS 11 HG2 LYS 11 -2.452 -1.002 9.318
73 HG3 LYS 11 HG3 LYS 11 -3.747 -0.484 10.400
74 HD2 LYS 11 HD2 LYS 11 -4.020 -2.800 8.494
75 HD3 LYS 11 HD3 LYS 11 -3.448 -2.980 10.154
76 HE2 LYS 11 HE2 LYS 11 -5.500 -2.475 11.057
77 HE3 LYS 11 HE3 LYS 11 -5.999 -1.521 9.661
78 HZ1 LYS 11 HZ1 LYS 11 -6.351 -3.509 8.410
79 HZ2 LYS 11 HZ2 LYS 11 -7.180 -3.662 9.876
80 HZ3 LYS 11 HZ3 LYS 11 -5.715 -4.476 9.644
81 H LYS 12 H LYS 12 -1.077 0.118 8.579
82 HA LYS 12 HA LYS 12 -0.835 2.830 9.210
83 HB2 LYS 12 HB2 LYS 12 0.352 1.079 10.434
84 HB3 LYS 12 HB3 LYS 12 1.321 0.719 9.011
85 HG2 LYS 12 HG2 LYS 12 1.387 3.508 9.976
86 HG3 LYS 12 HG3 LYS 12 2.160 2.293 10.997
87 HD2 LYS 12 HD2 LYS 12 3.267 1.517 8.775
88 HD3 LYS 12 HD3 LYS 12 2.829 3.128 8.202
89 HE2 LYS 12 HE2 LYS 12 5.055 3.250 9.039
90 HE3 LYS 12 HE3 LYS 12 4.010 4.061 10.205
91 HZ1 LYS 12 HZ1 LYS 12 5.817 2.201 10.849
92 HZ2 LYS 12 HZ2 LYS 12 4.435 1.238 10.689
93 HZ3 LYS 12 HZ3 LYS 12 4.441 2.537 11.774
94 H GLY 13 H GLY 13 0.621 0.947 6.577
95 HA2 GLY 13 HA2 GLY 13 0.568 2.851 4.626
96 HA3 GLY 13 HA3 GLY 13 2.039 3.213 5.516
97 H CYS 14 H CYS 14 3.513 1.283 5.862
98 HA CYS 14 HA CYS 14 3.404 -0.996 4.249
99 HB2 CYS 14 HB2 CYS 14 3.836 1.206 2.670
100 HB3 CYS 14 HB3 CYS 14 5.478 0.659 2.990
101 H SER 15 H SER 15 5.916 -1.669 3.745
102 HA SER 15 HA SER 15 7.715 -0.856 5.845
103 HB2 SER 15 HB2 SER 15 7.898 -3.364 6.579
104 HB3 SER 15 HB3 SER 15 6.627 -2.348 7.261
105 HG SER 15 HG SER 15 5.513 -4.061 6.595
106 H VAL 16 H VAL 16 7.848 -0.810 3.028
107 HA VAL 16 HA VAL 16 9.104 -2.912 1.763
108 HB VAL 16 HB VAL 16 8.472 -0.995 0.485
109 HG11 VAL 16 HG11 VAL 16 10.586 0.605 1.917
110 HG12 VAL 16 HG12 VAL 16 9.408 1.187 0.738
111 HG13 VAL 16 HG13 VAL 16 8.872 0.648 2.330
112 HG21 VAL 16 HG21 VAL 16 11.485 -1.110 0.477
113 HG22 VAL 16 HG22 VAL 16 10.439 -2.308 -0.286
114 HG23 VAL 16 HG23 VAL 16 10.434 -0.640 -0.859
115 H ASP 17 H ASP 17 10.792 -4.050 2.445
116 HA ASP 17 HA ASP 17 12.764 -2.998 4.224
117 HB2 ASP 17 HB2 ASP 17 13.185 -5.531 2.685
118 HB3 ASP 17 HB3 ASP 17 13.596 -5.159 4.357
119 H TRP 18 H TRP 18 13.642 -1.222 3.090
120 HA TRP 18 HA TRP 18 14.896 -1.560 0.536
121 HB2 TRP 18 HB2 TRP 18 14.870 0.665 2.567
122 HB3 TRP 18 HB3 TRP 18 15.873 0.744 1.121
123 HD1 TRP 18 HD1 TRP 18 12.770 2.068 2.222
124 HE1 TRP 18 HE1 TRP 18 11.125 2.496 0.290
125 HE3 TRP 18 HE3 TRP 18 15.013 -0.762 -1.397
126 HZ2 TRP 18 HZ2 TRP 18 10.818 1.735 -2.411
127 HZ3 TRP 18 HZ3 TRP 18 13.980 -0.859 -3.628
128 HH2 TRP 18 HH2 TRP 18 11.925 0.364 -4.122
129 H GLY 19 H GLY 19 16.129 -3.507 1.369
130 HA2 GLY 19 HA2 GLY 19 18.800 -2.591 2.169
131 HA3 GLY 19 HA3 GLY 19 18.040 -3.866 3.110
132 H LYS 20 H LYS 20 16.790 -5.236 0.966
133 HA LYS 20 HA LYS 20 19.155 -6.511 -0.198
134 HB2 LYS 20 HB2 LYS 20 16.312 -7.438 0.192
135 HB3 LYS 20 HB3 LYS 20 17.473 -8.335 -0.778
136 HG2 LYS 20 HG2 LYS 20 17.892 -7.624 2.116
137 HG3 LYS 20 HG3 LYS 20 17.221 -9.157 1.555
138 HD2 LYS 20 HD2 LYS 20 19.311 -9.465 0.199
139 HD3 LYS 20 HD3 LYS 20 19.972 -8.046 1.016
140 HE2 LYS 20 HE2 LYS 20 19.901 -9.124 3.128
141 HE3 LYS 20 HE3 LYS 20 18.922 -10.447 2.497
142 HZ1 LYS 20 HZ1 LYS 20 20.881 -11.487 2.336
143 HZ2 LYS 20 HZ2 LYS 20 21.781 -10.056 2.388
144 HZ3 LYS 20 HZ3 LYS 20 21.096 -10.571 0.930
145 H ALA 21 H ALA 21 16.345 -4.682 -1.047
146 HA ALA 21 HA ALA 21 16.188 -5.384 -3.786
147 HB1 ALA 21 HB1 ALA 21 15.377 -2.669 -2.885
148 HB2 ALA 21 HB2 ALA 21 14.548 -3.802 -3.953
149 HB3 ALA 21 HB3 ALA 21 14.536 -4.064 -2.209
150 H ILE 22 H ILE 22 18.055 -2.998 -2.010
151 HA ILE 22 HA ILE 22 18.913 -1.352 -4.059
152 HB ILE 22 HB ILE 22 20.580 -2.286 -1.720
153 HG12 ILE 22 HG12 ILE 22 18.452 -1.388 -0.954
154 HG13 ILE 22 HG13 ILE 22 19.740 -0.241 -0.602
155 HG21 ILE 22 HG21 ILE 22 21.585 0.036 -2.034
156 HG22 ILE 22 HG22 ILE 22 22.028 -1.200 -3.209
157 HG23 ILE 22 HG23 ILE 22 20.825 0.020 -3.625
158 HD11 ILE 22 HD11 ILE 22 17.900 1.003 -1.397
159 HD12 ILE 22 HD12 ILE 22 19.084 0.966 -2.704
160 HD13 ILE 22 HD13 ILE 22 17.667 -0.082 -2.767
161 H GLY 23 H GLY 23 20.145 -4.517 -3.080
162 HA2 GLY 23 HA2 GLY 23 22.423 -4.537 -4.751
163 HA3 GLY 23 HA3 GLY 23 21.626 -5.955 -4.086
164 H ILE 24 H ILE 24 19.072 -4.999 -5.436
165 HA ILE 24 HA ILE 24 19.494 -6.462 -7.882
166 HB ILE 24 HB ILE 24 17.013 -5.068 -6.868
167 HG12 ILE 24 HG12 ILE 24 17.644 -8.021 -6.839
168 HG13 ILE 24 HG13 ILE 24 17.957 -6.963 -5.467
169 HG21 ILE 24 HG21 ILE 24 16.595 -5.304 -9.120
170 HG22 ILE 24 HG22 ILE 24 17.570 -6.766 -9.257
171 HG23 ILE 24 HG23 ILE 24 15.983 -6.833 -8.491
172 HD11 ILE 24 HD11 ILE 24 15.366 -6.387 -5.969
173 HD12 ILE 24 HD12 ILE 24 15.437 -8.081 -6.456
174 HD13 ILE 24 HD13 ILE 24 15.916 -7.611 -4.825
175 H ILE 25 H ILE 25 19.031 -3.120 -6.936
176 HA ILE 25 HA ILE 25 18.358 -1.936 -9.334
177 HB ILE 25 HB ILE 25 20.285 -0.817 -7.295
178 HG12 ILE 25 HG12 ILE 25 18.196 -1.497 -6.238
179 HG13 ILE 25 HG13 ILE 25 18.279 0.259 -6.325
180 HG21 ILE 25 HG21 ILE 25 20.435 0.547 -9.192
181 HG22 ILE 25 HG22 ILE 25 18.709 0.420 -9.529
182 HG23 ILE 25 HG23 ILE 25 19.271 1.367 -8.151
183 HD11 ILE 25 HD11 ILE 25 16.974 -0.302 -8.623
184 HD12 ILE 25 HD12 ILE 25 16.408 -1.609 -7.582
185 HD13 ILE 25 HD13 ILE 25 16.187 0.070 -7.089
186 H GLY 26 H GLY 26 21.431 -3.246 -8.316
187 HA2 GLY 26 HA2 GLY 26 23.036 -1.999 -10.302
188 HA3 GLY 26 HA3 GLY 26 23.458 -3.438 -9.386
189 H ASN 27 H ASN 27 21.763 -5.327 -10.107
190 HA ASN 27 HA ASN 27 22.655 -6.242 -12.552
191 HB2 ASN 27 HB2 ASN 27 20.120 -6.916 -11.050
192 HB3 ASN 27 HB3 ASN 27 20.677 -7.806 -12.464
193 HD21 ASN 27 HD21 ASN 27 23.219 -8.227 -12.191
194 HD22 ASN 27 HD22 ASN 27 23.609 -9.038 -10.716
195 H ASN 28 H ASN 28 19.672 -4.475 -11.819
196 HA ASN 28 HA ASN 28 18.514 -4.589 -14.362
197 HB2 ASN 28 HB2 ASN 28 18.296 -2.511 -12.178
198 HB3 ASN 28 HB3 ASN 28 17.307 -2.491 -13.635
199 HD21 ASN 28 HD21 ASN 28 16.747 -2.901 -10.701
200 HD22 ASN 28 HD22 ASN 28 15.793 -4.341 -10.650
201 H ALA 29 H ALA 29 20.391 -1.917 -12.921
202 HA ALA 29 HA ALA 29 20.560 -0.379 -15.262
203 HB1 ALA 29 HB1 ALA 29 22.367 -0.458 -12.851
204 HB2 ALA 29 HB2 ALA 29 22.442 0.768 -14.117
205 HB3 ALA 29 HB3 ALA 29 20.995 0.616 -13.122
206 H ALA 30 H ALA 30 22.179 -3.248 -14.345
207 HA ALA 30 HA ALA 30 24.418 -2.819 -16.156
208 HB1 ALA 30 HB1 ALA 30 23.811 -4.647 -13.959
209 HB2 ALA 30 HB2 ALA 30 24.621 -5.415 -15.325
210 HB3 ALA 30 HB3 ALA 30 25.362 -4.028 -14.527
211 H ALA 31 H ALA 31 21.394 -3.342 -16.807
212 HA ALA 31 HA ALA 31 21.804 -5.573 -18.677
213 HB1 ALA 31 HB1 ALA 31 19.744 -5.111 -16.925
214 HB2 ALA 31 HB2 ALA 31 19.086 -4.542 -18.460
215 HB3 ALA 31 HB3 ALA 31 19.688 -6.193 -18.317
216 H ASN 32 H ASN 32 21.540 -2.191 -18.512
217 HA ASN 32 HA ASN 32 20.946 -2.034 -21.394
218 HB2 ASN 32 HB2 ASN 32 20.428 -0.095 -19.146
219 HB3 ASN 32 HB3 ASN 32 20.425 0.419 -20.830
220 HD21 ASN 32 HD21 ASN 32 18.822 -1.489 -18.409
221 HD22 ASN 32 HD22 ASN 32 17.352 -1.731 -19.284
222 H LEU 33 H LEU 33 23.289 -1.507 -18.967
223 HA LEU 33 HA LEU 33 24.811 0.561 -20.089
224 HB2 LEU 33 HB2 LEU 33 26.311 0.122 -18.460
225 HB3 LEU 33 HB3 LEU 33 24.964 -0.812 -17.813
226 HG LEU 33 HG LEU 33 27.230 -1.965 -19.439
227 HD11 LEU 33 HD11 LEU 33 27.039 -2.772 -16.661
228 HD12 LEU 33 HD12 LEU 33 27.348 -1.045 -16.837
229 HD13 LEU 33 HD13 LEU 33 28.434 -2.215 -17.585
230 HD21 LEU 33 HD21 LEU 33 24.800 -3.020 -19.225
231 HD22 LEU 33 HD22 LEU 33 25.465 -3.588 -17.693
232 HD23 LEU 33 HD23 LEU 33 26.260 -4.008 -19.211
233 H THR 34 H THR 34 24.350 -2.677 -21.091
234 HA THR 34 HA THR 34 26.623 -2.453 -22.956
235 HB THR 34 HB THR 34 26.907 -4.344 -21.441
236 HG1 THR 34 HG1 THR 34 27.284 -5.850 -23.042
237 HG21 THR 34 HG21 THR 34 24.175 -4.571 -21.521
238 HG22 THR 34 HG22 THR 34 25.278 -5.774 -20.852
239 HG23 THR 34 HG23 THR 34 24.696 -5.935 -22.509
240 H THR 35 H THR 35 23.217 -3.119 -22.585
241 HA THR 35 HA THR 35 21.502 -3.255 -24.076
242 HB THR 35 HB THR 35 23.305 -2.185 -26.230
243 HG1 THR 35 HG1 THR 35 23.395 -0.281 -25.264
244 HG21 THR 35 HG21 THR 35 20.383 -2.173 -25.615
245 HG22 THR 35 HG22 THR 35 21.211 -2.496 -27.139
246 HG23 THR 35 HG23 THR 35 21.069 -0.842 -26.546
247 H GLY 36 H GLY 36 23.014 -5.571 -23.720
248 HA2 GLY 36 HA2 GLY 36 23.385 -6.703 -26.396
249 HA3 GLY 36 HA3 GLY 36 23.875 -7.446 -24.880
250 H GLY 37 H GLY 37 21.181 -6.819 -23.709
251 HA2 GLY 37 HA2 GLY 37 19.861 -9.205 -24.767
252 HA3 GLY 37 HA3 GLY 37 19.497 -8.407 -23.245
253 H LYS 38 H LYS 38 17.409 -7.876 -23.350
254 HA LYS 38 HA LYS 38 16.326 -6.778 -25.834
255 HB2 LYS 38 HB2 LYS 38 14.125 -7.018 -24.677
256 HB3 LYS 38 HB3 LYS 38 15.000 -8.532 -24.868
257 HG2 LYS 38 HG2 LYS 38 15.538 -8.645 -22.600
258 HG3 LYS 38 HG3 LYS 38 15.176 -6.938 -22.337
259 HD2 LYS 38 HD2 LYS 38 13.352 -8.073 -21.403
260 HD3 LYS 38 HD3 LYS 38 12.772 -7.538 -22.982
261 HE2 LYS 38 HE2 LYS 38 13.247 -9.759 -23.901
262 HE3 LYS 38 HE3 LYS 38 13.819 -10.289 -22.320
263 HZ1 LYS 38 HZ1 LYS 38 11.152 -10.107 -23.306
264 HZ2 LYS 38 HZ2 LYS 38 11.326 -9.256 -21.855
265 HZ3 LYS 38 HZ3 LYS 38 11.734 -10.896 -21.927
266 H ALA 39 H ALA 39 15.665 -4.709 -26.063
267 HA ALA 39 HA ALA 39 16.220 -2.889 -23.830
268 HB1 ALA 39 HB1 ALA 39 17.094 -1.510 -25.335
269 HB2 ALA 39 HB2 ALA 39 16.874 -2.778 -26.542
270 HB3 ALA 39 HB3 ALA 39 15.625 -1.555 -26.310
271 H GLY 40 H GLY 40 14.774 -0.805 -23.999
272 HA2 GLY 40 HA2 GLY 40 12.136 -0.956 -24.923
273 HA3 GLY 40 HA3 GLY 40 12.159 -1.570 -23.277
274 H TRP 41 H TRP 41 13.322 -0.106 -21.677
275 HA TRP 41 HA TRP 41 12.683 2.704 -22.299
276 HB2 TRP 41 HB2 TRP 41 12.250 2.906 -19.794
277 HB3 TRP 41 HB3 TRP 41 11.057 2.006 -20.726
278 HD1 TRP 41 HD1 TRP 41 14.402 0.696 -19.264
279 HE1 TRP 41 HE1 TRP 41 13.867 -1.307 -17.738
280 HE3 TRP 41 HE3 TRP 41 9.298 0.801 -19.545
281 HZ2 TRP 41 HZ2 TRP 41 11.584 -2.663 -16.781
282 HZ3 TRP 41 HZ3 TRP 41 8.013 -0.885 -18.295
283 HH2 TRP 41 HH2 TRP 41 9.134 -2.580 -16.942
284 H LYS 42 H LYS 42 13.753 4.090 -20.355
285 HA LYS 42 HA LYS 42 16.614 3.453 -20.516
286 HB2 LYS 42 HB2 LYS 42 15.550 5.691 -21.333
287 HB3 LYS 42 HB3 LYS 42 15.525 6.102 -19.623
288 HG2 LYS 42 HG2 LYS 42 17.990 5.600 -19.579
289 HG3 LYS 42 HG3 LYS 42 17.917 5.504 -21.340
290 HD2 LYS 42 HD2 LYS 42 16.766 7.842 -21.127
291 HD3 LYS 42 HD3 LYS 42 17.554 7.868 -19.548
292 HE2 LYS 42 HE2 LYS 42 19.158 7.136 -21.951
293 HE3 LYS 42 HE3 LYS 42 18.750 8.830 -21.686
294 HZ1 LYS 42 HZ1 LYS 42 19.620 8.100 -19.262
295 HZ2 LYS 42 HZ2 LYS 42 20.598 8.810 -20.445
296 HZ3 LYS 42 HZ3 LYS 42 20.595 7.130 -20.248
297 H GLY 43 H GLY 43 17.230 2.299 -18.786
298 HA2 GLY 43 HA2 GLY 43 16.026 2.701 -16.191
299 HA3 GLY 43 HA3 GLY 43 17.301 1.558 -16.587
Start of MODEL 12
1 H1 LYS 1 H LYS 1 1.526 -3.231 8.252
2 HA LYS 1 HA LYS 1 3.056 -4.351 10.473
3 HB2 LYS 1 HB2 LYS 1 2.066 -5.634 8.391
4 HB3 LYS 1 HB3 LYS 1 3.547 -5.085 7.616
5 HG2 LYS 1 HG2 LYS 1 4.891 -6.382 8.954
6 HG3 LYS 1 HG3 LYS 1 3.705 -6.455 10.259
7 HD2 LYS 1 HD2 LYS 1 2.289 -7.742 8.449
8 HD3 LYS 1 HD3 LYS 1 3.880 -8.056 7.750
9 HE2 LYS 1 HE2 LYS 1 4.592 -9.263 9.603
10 HE3 LYS 1 HE3 LYS 1 3.376 -8.547 10.659
11 HZ1 LYS 1 HZ1 LYS 1 3.092 -10.963 9.802
12 HZ2 LYS 1 HZ2 LYS 1 2.517 -10.216 8.398
13 HZ3 LYS 1 HZ3 LYS 1 1.747 -9.938 9.879
14 H TYR 2 H TYR 2 5.268 -4.132 10.697
15 HA TYR 2 HA TYR 2 6.934 -2.828 8.811
16 HB2 TYR 2 HB2 TYR 2 5.721 -0.833 9.492
17 HB3 TYR 2 HB3 TYR 2 6.037 -1.185 11.187
18 HD1 TYR 2 HD2 TYR 2 8.395 -1.384 8.318
19 HD2 TYR 2 HD1 TYR 2 7.302 0.654 11.889
20 HE1 TYR 2 HE2 TYR 2 10.472 -0.072 8.198
21 HE2 TYR 2 HE1 TYR 2 9.375 1.973 11.779
22 HH TYR 2 HH TYR 2 11.755 1.440 9.197
23 H TYR 3 H TYR 3 8.548 -4.235 9.159
24 HA TYR 3 HA TYR 3 9.266 -5.185 11.757
25 HB2 TYR 3 HB2 TYR 3 10.472 -5.478 9.016
26 HB3 TYR 3 HB3 TYR 3 11.295 -6.094 10.445
27 HD1 TYR 3 HD2 TYR 3 7.814 -6.164 9.065
28 HD2 TYR 3 HD1 TYR 3 11.020 -8.345 10.815
29 HE1 TYR 3 HE2 TYR 3 6.472 -8.222 8.944
30 HE2 TYR 3 HE1 TYR 3 9.688 -10.409 10.698
31 HH TYR 3 HH TYR 3 7.833 -11.344 9.607
32 H GLY 4 H GLY 4 10.781 -2.963 9.428
33 HA2 GLY 4 HA2 GLY 4 11.727 -0.901 10.433
34 HA3 GLY 4 HA3 GLY 4 12.440 -1.946 11.653
35 H ASN 5 H ASN 5 12.375 -3.086 8.401
36 HA ASN 5 HA ASN 5 15.252 -2.492 8.162
37 HB2 ASN 5 HB2 ASN 5 13.972 -4.808 6.753
38 HB3 ASN 5 HB3 ASN 5 15.648 -4.596 7.249
39 HD21 ASN 5 HD21 ASN 5 12.738 -6.051 7.963
40 HD22 ASN 5 HD22 ASN 5 13.078 -6.545 9.584
41 H GLY 6 H GLY 6 12.181 -2.033 6.823
42 HA2 GLY 6 HA2 GLY 6 12.801 -0.215 4.921
43 HA3 GLY 6 HA3 GLY 6 13.046 -1.739 4.080
44 H VAL 7 H VAL 7 10.830 -2.893 5.830
45 HA VAL 7 HA VAL 7 8.761 -2.861 4.031
46 HB VAL 7 HB VAL 7 8.579 -3.152 7.031
47 HG11 VAL 7 HG11 VAL 7 6.505 -2.972 5.061
48 HG12 VAL 7 HG12 VAL 7 6.523 -4.589 5.768
49 HG13 VAL 7 HG13 VAL 7 6.370 -3.172 6.807
50 HG21 VAL 7 HG21 VAL 7 9.961 -4.743 5.428
51 HG22 VAL 7 HG22 VAL 7 9.016 -5.378 6.775
52 HG23 VAL 7 HG23 VAL 7 8.363 -5.431 5.138
53 H SER 8 H SER 8 7.423 -1.345 3.325
54 HA SER 8 HA SER 8 6.006 0.441 4.964
55 HB2 SER 8 HB2 SER 8 7.116 2.454 4.824
56 HB3 SER 8 HB3 SER 8 8.498 1.359 4.862
57 HG SER 8 HG SER 8 8.408 3.047 3.146
58 H CYS 9 H CYS 9 4.884 2.173 3.616
59 HA CYS 9 HA CYS 9 3.464 1.029 1.554
60 HB2 CYS 9 HB2 CYS 9 3.951 3.857 2.394
61 HB3 CYS 9 HB3 CYS 9 3.110 3.557 0.876
62 H ASN 10 H ASN 10 3.474 1.276 -0.715
63 HA ASN 10 HA ASN 10 5.925 2.322 -1.924
64 HB2 ASN 10 HB2 ASN 10 5.792 0.177 -3.438
65 HB3 ASN 10 HB3 ASN 10 6.615 0.114 -1.882
66 HD21 ASN 10 HD21 ASN 10 3.772 -0.797 -3.664
67 HD22 ASN 10 HD22 ASN 10 3.201 -1.977 -2.539
68 H LYS 11 H LYS 11 2.772 0.805 -2.565
69 HA LYS 11 HA LYS 11 2.242 2.882 -4.557
70 HB2 LYS 11 HB2 LYS 11 2.285 -0.073 -5.048
71 HB3 LYS 11 HB3 LYS 11 1.154 0.937 -5.939
72 HG2 LYS 11 HG2 LYS 11 2.764 1.380 -7.387
73 HG3 LYS 11 HG3 LYS 11 3.642 2.222 -6.108
74 HD2 LYS 11 HD2 LYS 11 4.305 -0.295 -5.493
75 HD3 LYS 11 HD3 LYS 11 4.043 -0.491 -7.228
76 HE2 LYS 11 HE2 LYS 11 5.624 1.311 -7.678
77 HE3 LYS 11 HE3 LYS 11 5.865 1.545 -5.947
78 HZ1 LYS 11 HZ1 LYS 11 7.646 0.231 -6.577
79 HZ2 LYS 11 HZ2 LYS 11 6.728 -0.710 -7.640
80 HZ3 LYS 11 HZ3 LYS 11 6.552 -0.908 -5.969
81 H LYS 12 H LYS 12 0.656 -0.126 -3.485
82 HA LYS 12 HA LYS 12 -1.675 1.502 -2.706
83 HB2 LYS 12 HB2 LYS 12 -1.670 -1.350 -3.712
84 HB3 LYS 12 HB3 LYS 12 -3.090 -0.409 -3.274
85 HG2 LYS 12 HG2 LYS 12 -3.017 0.851 -5.177
86 HG3 LYS 12 HG3 LYS 12 -1.271 0.670 -5.362
87 HD2 LYS 12 HD2 LYS 12 -1.557 -1.629 -6.080
88 HD3 LYS 12 HD3 LYS 12 -3.298 -1.521 -5.809
89 HE2 LYS 12 HE2 LYS 12 -3.457 0.209 -7.531
90 HE3 LYS 12 HE3 LYS 12 -1.717 0.109 -7.797
91 HZ1 LYS 12 HZ1 LYS 12 -1.901 -1.857 -8.886
92 HZ2 LYS 12 HZ2 LYS 12 -3.422 -1.225 -9.269
93 HZ3 LYS 12 HZ3 LYS 12 -3.268 -2.359 -8.023
94 H GLY 13 H GLY 13 0.455 -1.149 -1.873
95 HA2 GLY 13 HA2 GLY 13 -0.810 -1.235 0.797
96 HA3 GLY 13 HA3 GLY 13 -0.117 -2.651 0.020
97 H CYS 14 H CYS 14 0.667 -1.958 2.548
98 HA CYS 14 HA CYS 14 3.368 -0.856 2.129
99 HB2 CYS 14 HB2 CYS 14 1.873 -0.917 4.752
100 HB3 CYS 14 HB3 CYS 14 3.358 -0.046 4.381
101 H SER 15 H SER 15 4.578 -2.645 1.795
102 HA SER 15 HA SER 15 5.355 -4.245 3.953
103 HB2 SER 15 HB2 SER 15 3.117 -5.302 2.318
104 HB3 SER 15 HB3 SER 15 4.418 -6.435 2.688
105 HG SER 15 HG SER 15 2.532 -6.106 4.238
106 H VAL 16 H VAL 16 7.116 -3.123 2.638
107 HA VAL 16 HA VAL 16 8.357 -5.140 0.950
108 HB VAL 16 HB VAL 16 7.310 -3.897 -0.772
109 HG11 VAL 16 HG11 VAL 16 8.345 -1.379 0.529
110 HG12 VAL 16 HG12 VAL 16 7.393 -1.476 -0.954
111 HG13 VAL 16 HG13 VAL 16 6.677 -1.950 0.587
112 HG21 VAL 16 HG21 VAL 16 9.807 -2.405 -1.000
113 HG22 VAL 16 HG22 VAL 16 10.040 -4.103 -0.585
114 HG23 VAL 16 HG23 VAL 16 9.141 -3.667 -2.038
115 H ASP 17 H ASP 17 10.289 -5.430 1.827
116 HA ASP 17 HA ASP 17 11.532 -3.524 3.532
117 HB2 ASP 17 HB2 ASP 17 11.998 -5.786 4.018
118 HB3 ASP 17 HB3 ASP 17 12.424 -6.144 2.347
119 H TRP 18 H TRP 18 11.772 -1.637 2.292
120 HA TRP 18 HA TRP 18 13.230 -1.621 -0.168
121 HB2 TRP 18 HB2 TRP 18 12.200 0.509 1.684
122 HB3 TRP 18 HB3 TRP 18 13.275 0.925 0.352
123 HD1 TRP 18 HD1 TRP 18 9.729 0.711 1.092
124 HE1 TRP 18 HE1 TRP 18 8.321 0.570 -1.058
125 HE3 TRP 18 HE3 TRP 18 13.441 -0.424 -2.235
126 HZ2 TRP 18 HZ2 TRP 18 8.730 0.046 -3.802
127 HZ3 TRP 18 HZ3 TRP 18 12.849 -0.729 -4.603
128 HH2 TRP 18 HH2 TRP 18 10.542 -0.500 -5.369
129 H GLY 19 H GLY 19 15.055 -2.908 0.803
130 HA2 GLY 19 HA2 GLY 19 17.171 -1.043 1.558
131 HA3 GLY 19 HA3 GLY 19 16.841 -2.356 2.678
132 H LYS 20 H LYS 20 16.331 -4.431 0.914
133 HA LYS 20 HA LYS 20 19.024 -4.887 -0.137
134 HB2 LYS 20 HB2 LYS 20 17.591 -6.467 1.457
135 HB3 LYS 20 HB3 LYS 20 16.966 -7.042 -0.083
136 HG2 LYS 20 HG2 LYS 20 19.903 -6.831 0.160
137 HG3 LYS 20 HG3 LYS 20 19.109 -8.092 1.106
138 HD2 LYS 20 HD2 LYS 20 17.880 -8.545 -1.190
139 HD3 LYS 20 HD3 LYS 20 19.325 -7.773 -1.847
140 HE2 LYS 20 HE2 LYS 20 20.711 -9.391 -0.594
141 HE3 LYS 20 HE3 LYS 20 19.238 -10.189 -0.043
142 HZ1 LYS 20 HZ1 LYS 20 20.028 -11.391 -1.898
143 HZ2 LYS 20 HZ2 LYS 20 20.254 -9.991 -2.820
144 HZ3 LYS 20 HZ3 LYS 20 18.689 -10.514 -2.448
145 H ALA 21 H ALA 21 15.729 -4.506 -1.148
146 HA ALA 21 HA ALA 21 15.865 -5.705 -3.686
147 HB1 ALA 21 HB1 ALA 21 14.182 -3.312 -2.979
148 HB2 ALA 21 HB2 ALA 21 13.856 -4.548 -4.195
149 HB3 ALA 21 HB3 ALA 21 13.788 -4.958 -2.481
150 H ILE 22 H ILE 22 17.102 -2.708 -2.485
151 HA ILE 22 HA ILE 22 17.377 -1.435 -5.041
152 HB ILE 22 HB ILE 22 18.662 -0.803 -2.382
153 HG12 ILE 22 HG12 ILE 22 16.994 1.209 -2.721
154 HG13 ILE 22 HG13 ILE 22 16.158 0.070 -3.772
155 HG21 ILE 22 HG21 ILE 22 18.829 1.506 -3.688
156 HG22 ILE 22 HG22 ILE 22 20.104 0.291 -3.756
157 HG23 ILE 22 HG23 ILE 22 18.935 0.415 -5.070
158 HD11 ILE 22 HD11 ILE 22 15.737 -1.410 -1.999
159 HD12 ILE 22 HD12 ILE 22 16.887 -0.594 -0.940
160 HD13 ILE 22 HD13 ILE 22 15.373 0.199 -1.377
161 H GLY 23 H GLY 23 19.252 -3.649 -3.149
162 HA2 GLY 23 HA2 GLY 23 21.727 -3.126 -4.556
163 HA3 GLY 23 HA3 GLY 23 21.445 -4.391 -3.369
164 H ILE 24 H ILE 24 18.960 -5.092 -5.049
165 HA ILE 24 HA ILE 24 20.271 -7.118 -6.605
166 HB ILE 24 HB ILE 24 17.337 -6.417 -6.452
167 HG12 ILE 24 HG12 ILE 24 18.261 -7.062 -4.273
168 HG13 ILE 24 HG13 ILE 24 17.186 -8.311 -4.892
169 HG21 ILE 24 HG21 ILE 24 17.356 -9.001 -7.113
170 HG22 ILE 24 HG22 ILE 24 17.349 -7.710 -8.314
171 HG23 ILE 24 HG23 ILE 24 18.863 -8.508 -7.886
172 HD11 ILE 24 HD11 ILE 24 18.794 -9.794 -4.606
173 HD12 ILE 24 HD12 ILE 24 19.784 -8.935 -5.786
174 HD13 ILE 24 HD13 ILE 24 19.898 -8.526 -4.075
175 H ILE 25 H ILE 25 18.519 -4.135 -7.272
176 HA ILE 25 HA ILE 25 18.145 -4.357 -10.004
177 HB ILE 25 HB ILE 25 18.886 -1.847 -8.497
178 HG12 ILE 25 HG12 ILE 25 16.936 -3.017 -7.536
179 HG13 ILE 25 HG13 ILE 25 16.481 -1.486 -8.277
180 HG21 ILE 25 HG21 ILE 25 18.206 -2.377 -11.277
181 HG22 ILE 25 HG22 ILE 25 17.169 -1.162 -10.532
182 HG23 ILE 25 HG23 ILE 25 18.918 -0.943 -10.538
183 HD11 ILE 25 HD11 ILE 25 14.960 -2.551 -9.468
184 HD12 ILE 25 HD12 ILE 25 16.239 -3.472 -10.261
185 HD13 ILE 25 HD13 ILE 25 15.483 -4.095 -8.795
186 H GLY 26 H GLY 26 21.061 -3.614 -8.208
187 HA2 GLY 26 HA2 GLY 26 22.672 -2.518 -10.167
188 HA3 GLY 26 HA3 GLY 26 23.259 -3.550 -8.872
189 H ASN 27 H ASN 27 22.175 -5.974 -9.481
190 HA ASN 27 HA ASN 27 23.721 -6.692 -11.837
191 HB2 ASN 27 HB2 ASN 27 22.460 -8.264 -9.601
192 HB3 ASN 27 HB3 ASN 27 23.068 -9.063 -11.048
193 HD21 ASN 27 HD21 ASN 27 24.197 -6.443 -8.932
194 HD22 ASN 27 HD22 ASN 27 25.778 -7.096 -8.688
195 H ASN 28 H ASN 28 20.412 -6.432 -10.814
196 HA ASN 28 HA ASN 28 19.202 -8.083 -12.743
197 HB2 ASN 28 HB2 ASN 28 18.226 -6.844 -10.626
198 HB3 ASN 28 HB3 ASN 28 17.842 -5.590 -11.801
199 HD21 ASN 28 HD21 ASN 28 16.991 -8.621 -10.518
200 HD22 ASN 28 HD22 ASN 28 15.645 -8.944 -11.552
201 H ALA 29 H ALA 29 20.025 -4.637 -12.781
202 HA ALA 29 HA ALA 29 18.992 -4.258 -15.443
203 HB1 ALA 29 HB1 ALA 29 20.349 -2.539 -13.426
204 HB2 ALA 29 HB2 ALA 29 20.331 -2.022 -15.112
205 HB3 ALA 29 HB3 ALA 29 18.813 -2.304 -14.261
206 H ALA 30 H ALA 30 22.099 -4.897 -13.964
207 HA ALA 30 HA ALA 30 23.801 -4.205 -16.061
208 HB1 ALA 30 HB1 ALA 30 23.968 -5.786 -13.633
209 HB2 ALA 30 HB2 ALA 30 24.981 -6.430 -14.926
210 HB3 ALA 30 HB3 ALA 30 25.179 -4.758 -14.400
211 H ALA 31 H ALA 31 21.667 -6.917 -15.686
212 HA ALA 31 HA ALA 31 22.808 -8.752 -17.447
213 HB1 ALA 31 HB1 ALA 31 20.490 -8.613 -15.954
214 HB2 ALA 31 HB2 ALA 31 19.910 -8.693 -17.618
215 HB3 ALA 31 HB3 ALA 31 20.982 -9.948 -16.996
216 H ASN 32 H ASN 32 21.111 -5.789 -18.065
217 HA ASN 32 HA ASN 32 20.758 -6.410 -20.889
218 HB2 ASN 32 HB2 ASN 32 19.897 -4.146 -19.111
219 HB3 ASN 32 HB3 ASN 32 19.853 -3.970 -20.862
220 HD21 ASN 32 HD21 ASN 32 17.911 -4.461 -18.427
221 HD22 ASN 32 HD22 ASN 32 16.764 -5.560 -19.107
222 H LEU 33 H LEU 33 22.850 -4.596 -18.787
223 HA LEU 33 HA LEU 33 23.987 -2.830 -20.642
224 HB2 LEU 33 HB2 LEU 33 24.795 -3.973 -18.027
225 HB3 LEU 33 HB3 LEU 33 26.051 -3.216 -19.005
226 HG LEU 33 HG LEU 33 25.053 -1.719 -17.290
227 HD11 LEU 33 HD11 LEU 33 26.141 -0.757 -19.209
228 HD12 LEU 33 HD12 LEU 33 24.702 0.186 -18.826
229 HD13 LEU 33 HD13 LEU 33 24.679 -0.944 -20.179
230 HD21 LEU 33 HD21 LEU 33 22.595 -1.758 -19.028
231 HD22 LEU 33 HD22 LEU 33 22.829 -0.909 -17.500
232 HD23 LEU 33 HD23 LEU 33 22.739 -2.671 -17.526
233 H THR 34 H THR 34 24.440 -6.224 -20.131
234 HA THR 34 HA THR 34 26.624 -6.222 -22.111
235 HB THR 34 HB THR 34 27.520 -7.099 -20.094
236 HG1 THR 34 HG1 THR 34 28.299 -8.847 -21.024
237 HG21 THR 34 HG21 THR 34 25.667 -7.563 -18.735
238 HG22 THR 34 HG22 THR 34 26.380 -9.147 -19.040
239 HG23 THR 34 HG23 THR 34 24.946 -8.639 -19.931
240 H THR 35 H THR 35 23.548 -7.566 -21.171
241 HA THR 35 HA THR 35 23.470 -9.064 -23.710
242 HB THR 35 HB THR 35 21.668 -9.821 -21.452
243 HG1 THR 35 HG1 THR 35 24.279 -10.906 -21.678
244 HG21 THR 35 HG21 THR 35 21.195 -11.490 -22.847
245 HG22 THR 35 HG22 THR 35 22.884 -11.998 -22.834
246 HG23 THR 35 HG23 THR 35 22.326 -10.820 -24.022
247 H GLY 36 H GLY 36 22.790 -6.397 -23.700
248 HA2 GLY 36 HA2 GLY 36 20.000 -6.563 -24.482
249 HA3 GLY 36 HA3 GLY 36 20.335 -5.468 -23.149
250 H GLY 37 H GLY 37 20.674 -6.034 -26.562
251 HA2 GLY 37 HA2 GLY 37 22.413 -3.980 -27.278
252 HA3 GLY 37 HA3 GLY 37 21.128 -4.606 -28.300
253 H LYS 38 H LYS 38 19.060 -3.609 -28.231
254 HA LYS 38 HA LYS 38 19.199 -0.805 -27.370
255 HB2 LYS 38 HB2 LYS 38 17.722 -2.240 -29.541
256 HB3 LYS 38 HB3 LYS 38 17.062 -0.738 -28.906
257 HG2 LYS 38 HG2 LYS 38 19.912 -0.847 -29.782
258 HG3 LYS 38 HG3 LYS 38 18.624 -0.702 -30.980
259 HD2 LYS 38 HD2 LYS 38 18.625 1.122 -28.619
260 HD3 LYS 38 HD3 LYS 38 19.746 1.435 -29.947
261 HE2 LYS 38 HE2 LYS 38 17.933 2.657 -30.633
262 HE3 LYS 38 HE3 LYS 38 17.593 1.114 -31.415
263 HZ1 LYS 38 HZ1 LYS 38 16.539 1.277 -28.753
264 HZ2 LYS 38 HZ2 LYS 38 15.770 0.831 -30.192
265 HZ3 LYS 38 HZ3 LYS 38 15.903 2.465 -29.776
266 H ALA 39 H ALA 39 17.640 0.109 -26.080
267 HA ALA 39 HA ALA 39 15.832 -1.790 -24.744
268 HB1 ALA 39 HB1 ALA 39 16.211 -0.749 -22.778
269 HB2 ALA 39 HB2 ALA 39 17.693 -0.235 -23.585
270 HB3 ALA 39 HB3 ALA 39 16.304 0.850 -23.517
271 H GLY 40 H GLY 40 13.765 -0.823 -23.926
272 HA2 GLY 40 HA2 GLY 40 12.654 1.533 -24.939
273 HA3 GLY 40 HA3 GLY 40 12.284 0.247 -26.078
274 H TRP 41 H TRP 41 11.811 1.411 -22.806
275 HA TRP 41 HA TRP 41 10.220 -0.660 -21.814
276 HB2 TRP 41 HB2 TRP 41 9.260 1.150 -20.309
277 HB3 TRP 41 HB3 TRP 41 11.012 0.966 -20.275
278 HD1 TRP 41 HD1 TRP 41 8.483 3.172 -22.251
279 HE1 TRP 41 HE1 TRP 41 9.477 5.540 -22.421
280 HE3 TRP 41 HE3 TRP 41 12.913 2.368 -19.828
281 HZ2 TRP 41 HZ2 TRP 41 11.828 6.888 -21.632
282 HZ3 TRP 41 HZ3 TRP 41 14.479 4.249 -19.578
283 HH2 TRP 41 HH2 TRP 41 13.946 6.462 -20.463
284 H LYS 42 H LYS 42 9.536 1.764 -24.156
285 HA LYS 42 HA LYS 42 7.048 0.594 -24.846
286 HB2 LYS 42 HB2 LYS 42 6.353 1.834 -22.808
287 HB3 LYS 42 HB3 LYS 42 6.892 3.328 -23.563
288 HG2 LYS 42 HG2 LYS 42 4.915 1.645 -25.010
289 HG3 LYS 42 HG3 LYS 42 4.371 2.591 -23.623
290 HD2 LYS 42 HD2 LYS 42 5.668 4.527 -24.819
291 HD3 LYS 42 HD3 LYS 42 5.455 3.514 -26.249
292 HE2 LYS 42 HE2 LYS 42 3.026 3.476 -25.822
293 HE3 LYS 42 HE3 LYS 42 3.269 4.547 -24.442
294 HZ1 LYS 42 HZ1 LYS 42 4.069 6.254 -25.897
295 HZ2 LYS 42 HZ2 LYS 42 2.574 5.716 -26.479
296 HZ3 LYS 42 HZ3 LYS 42 4.004 5.224 -27.238
297 H GLY 43 H GLY 43 8.311 3.936 -24.880
298 HA2 GLY 43 HA2 GLY 43 8.710 5.370 -26.630
299 HA3 GLY 43 HA3 GLY 43 9.360 3.952 -27.438
Start of MODEL 13
1 H1 LYS 1 H LYS 1 0.002 -3.274 2.095
2 HA LYS 1 HA LYS 1 0.027 -3.422 -0.815
3 HB2 LYS 1 HB2 LYS 1 1.417 -1.300 0.795
4 HB3 LYS 1 HB3 LYS 1 2.068 -1.824 -0.752
5 HG2 LYS 1 HG2 LYS 1 -0.344 -1.341 -1.614
6 HG3 LYS 1 HG3 LYS 1 -0.453 -0.347 -0.159
7 HD2 LYS 1 HD2 LYS 1 1.725 -0.108 -2.233
8 HD3 LYS 1 HD3 LYS 1 0.282 0.907 -2.178
9 HE2 LYS 1 HE2 LYS 1 0.942 1.585 0.132
10 HE3 LYS 1 HE3 LYS 1 2.450 0.699 -0.093
11 HZ1 LYS 1 HZ1 LYS 1 1.530 2.976 -1.764
12 HZ2 LYS 1 HZ2 LYS 1 2.987 2.137 -1.950
13 HZ3 LYS 1 HZ3 LYS 1 2.714 3.059 -0.558
14 H TYR 2 H TYR 2 2.029 -4.272 -1.672
15 HA TYR 2 HA TYR 2 4.122 -5.182 0.017
16 HB2 TYR 2 HB2 TYR 2 2.393 -6.784 0.723
17 HB3 TYR 2 HB3 TYR 2 2.168 -7.281 -0.950
18 HD1 TYR 2 HD2 TYR 2 4.962 -6.920 1.514
19 HD2 TYR 2 HD1 TYR 2 3.211 -9.227 -1.604
20 HE1 TYR 2 HE2 TYR 2 6.722 -8.615 1.788
21 HE2 TYR 2 HE1 TYR 2 4.967 -10.929 -1.338
22 HH TYR 2 HH TYR 2 6.536 -11.699 0.394
23 H TYR 3 H TYR 3 5.820 -5.036 -1.274
24 HA TYR 3 HA TYR 3 5.521 -5.219 -4.145
25 HB2 TYR 3 HB2 TYR 3 7.728 -4.420 -2.284
26 HB3 TYR 3 HB3 TYR 3 8.108 -4.814 -3.957
27 HD1 TYR 3 HD2 TYR 3 5.317 -2.926 -2.331
28 HD2 TYR 3 HD1 TYR 3 8.484 -2.893 -5.172
29 HE1 TYR 3 HE2 TYR 3 4.679 -0.649 -3.007
30 HE2 TYR 3 HE1 TYR 3 7.856 -0.615 -5.855
31 HH TYR 3 HH TYR 3 6.077 1.393 -4.140
32 H GLY 4 H GLY 4 7.449 -6.888 -1.653
33 HA2 GLY 4 HA2 GLY 4 7.292 -9.411 -1.937
34 HA3 GLY 4 HA3 GLY 4 7.844 -9.093 -3.575
35 H ASN 5 H ASN 5 9.687 -6.987 -2.790
36 HA ASN 5 HA ASN 5 11.993 -8.532 -2.382
37 HB2 ASN 5 HB2 ASN 5 13.184 -6.424 -2.210
38 HB3 ASN 5 HB3 ASN 5 11.970 -6.305 -3.481
39 HD21 ASN 5 HD21 ASN 5 10.863 -4.500 -3.485
40 HD22 ASN 5 HD22 ASN 5 10.522 -3.505 -2.114
41 H GLY 6 H GLY 6 9.765 -7.097 -0.160
42 HA2 GLY 6 HA2 GLY 6 9.969 -8.308 2.076
43 HA3 GLY 6 HA3 GLY 6 11.603 -7.661 2.078
44 H VAL 7 H VAL 7 8.718 -5.979 0.953
45 HA VAL 7 HA VAL 7 9.204 -3.937 3.007
46 HB VAL 7 HB VAL 7 7.481 -3.673 0.544
47 HG11 VAL 7 HG11 VAL 7 7.596 -2.103 2.784
48 HG12 VAL 7 HG12 VAL 7 8.733 -1.300 1.699
49 HG13 VAL 7 HG13 VAL 7 7.067 -1.570 1.188
50 HG21 VAL 7 HG21 VAL 7 10.409 -3.427 0.911
51 HG22 VAL 7 HG22 VAL 7 9.480 -3.889 -0.515
52 HG23 VAL 7 HG23 VAL 7 9.617 -2.190 -0.064
53 H SER 8 H SER 8 7.735 -3.472 4.538
54 HA SER 8 HA SER 8 5.180 -4.936 4.448
55 HB2 SER 8 HB2 SER 8 6.203 -5.786 6.339
56 HB3 SER 8 HB3 SER 8 7.058 -4.282 6.681
57 HG SER 8 HG SER 8 4.303 -4.827 7.080
58 H CYS 9 H CYS 9 3.709 -3.542 3.674
59 HA CYS 9 HA CYS 9 3.397 -0.987 5.095
60 HB2 CYS 9 HB2 CYS 9 3.067 -1.389 2.114
61 HB3 CYS 9 HB3 CYS 9 2.764 0.107 2.991
62 H ASN 10 H ASN 10 1.508 -0.975 6.101
63 HA ASN 10 HA ASN 10 -0.814 -2.184 4.760
64 HB2 ASN 10 HB2 ASN 10 -0.080 -2.433 7.685
65 HB3 ASN 10 HB3 ASN 10 -1.622 -2.936 6.999
66 HD21 ASN 10 HD21 ASN 10 1.496 -3.868 7.754
67 HD22 ASN 10 HD22 ASN 10 1.542 -5.360 6.883
68 H LYS 11 H LYS 11 -0.353 -0.489 7.851
69 HA LYS 11 HA LYS 11 -2.035 1.700 6.839
70 HB2 LYS 11 HB2 LYS 11 -3.084 1.775 9.147
71 HB3 LYS 11 HB3 LYS 11 -3.561 0.426 8.125
72 HG2 LYS 11 HG2 LYS 11 -1.883 -0.980 9.311
73 HG3 LYS 11 HG3 LYS 11 -1.607 0.371 10.412
74 HD2 LYS 11 HD2 LYS 11 -3.875 0.292 11.180
75 HD3 LYS 11 HD3 LYS 11 -4.305 -0.892 9.944
76 HE2 LYS 11 HE2 LYS 11 -2.206 -1.435 12.025
77 HE3 LYS 11 HE3 LYS 11 -3.915 -1.759 12.311
78 HZ1 LYS 11 HZ1 LYS 11 -3.929 -3.247 10.424
79 HZ2 LYS 11 HZ2 LYS 11 -2.730 -3.722 11.518
80 HZ3 LYS 11 HZ3 LYS 11 -2.304 -2.909 10.097
81 H LYS 12 H LYS 12 0.185 0.617 9.383
82 HA LYS 12 HA LYS 12 0.728 3.058 10.580
83 HB2 LYS 12 HB2 LYS 12 2.278 0.524 10.239
84 HB3 LYS 12 HB3 LYS 12 3.095 1.934 10.902
85 HG2 LYS 12 HG2 LYS 12 1.860 1.919 12.830
86 HG3 LYS 12 HG3 LYS 12 0.486 1.110 12.073
87 HD2 LYS 12 HD2 LYS 12 1.343 -0.594 13.358
88 HD3 LYS 12 HD3 LYS 12 2.180 -0.875 11.829
89 HE2 LYS 12 HE2 LYS 12 3.756 -1.032 13.647
90 HE3 LYS 12 HE3 LYS 12 4.107 0.407 12.692
91 HZ1 LYS 12 HZ1 LYS 12 3.216 1.793 14.334
92 HZ2 LYS 12 HZ2 LYS 12 4.136 0.663 15.192
93 HZ3 LYS 12 HZ3 LYS 12 2.451 0.518 15.141
94 H GLY 13 H GLY 13 1.771 1.809 7.509
95 HA2 GLY 13 HA2 GLY 13 2.337 3.831 6.025
96 HA3 GLY 13 HA3 GLY 13 3.629 4.071 7.191
97 H CYS 14 H CYS 14 5.225 2.344 7.418
98 HA CYS 14 HA CYS 14 5.384 0.282 5.443
99 HB2 CYS 14 HB2 CYS 14 6.621 2.881 4.907
100 HB3 CYS 14 HB3 CYS 14 7.758 1.540 4.813
101 H SER 15 H SER 15 7.635 -0.769 5.521
102 HA SER 15 HA SER 15 9.157 -0.341 7.926
103 HB2 SER 15 HB2 SER 15 6.949 -1.996 8.176
104 HB3 SER 15 HB3 SER 15 8.275 -3.126 7.905
105 HG SER 15 HG SER 15 8.016 -2.638 10.121
106 H VAL 16 H VAL 16 9.687 -0.355 5.110
107 HA VAL 16 HA VAL 16 10.789 -2.666 4.074
108 HB VAL 16 HB VAL 16 10.594 -0.708 2.695
109 HG11 VAL 16 HG11 VAL 16 12.813 0.613 4.230
110 HG12 VAL 16 HG12 VAL 16 11.725 1.323 3.035
111 HG13 VAL 16 HG13 VAL 16 11.114 0.870 4.627
112 HG21 VAL 16 HG21 VAL 16 13.539 -1.248 3.020
113 HG22 VAL 16 HG22 VAL 16 12.423 -2.368 2.239
114 HG23 VAL 16 HG23 VAL 16 12.685 -0.764 1.555
115 H ASP 17 H ASP 17 12.177 -3.990 5.041
116 HA ASP 17 HA ASP 17 13.988 -3.181 7.072
117 HB2 ASP 17 HB2 ASP 17 12.979 -5.603 6.131
118 HB3 ASP 17 HB3 ASP 17 14.705 -5.688 5.791
119 H TRP 18 H TRP 18 14.166 -3.262 3.642
120 HA TRP 18 HA TRP 18 15.803 -2.745 2.152
121 HB2 TRP 18 HB2 TRP 18 16.741 -1.347 4.635
122 HB3 TRP 18 HB3 TRP 18 17.753 -1.350 3.193
123 HD1 TRP 18 HD1 TRP 18 15.386 0.803 4.791
124 HE1 TRP 18 HE1 TRP 18 14.228 2.392 3.130
125 HE3 TRP 18 HE3 TRP 18 16.587 -1.572 0.426
126 HZ2 TRP 18 HZ2 TRP 18 13.871 2.609 0.338
127 HZ3 TRP 18 HZ3 TRP 18 15.798 -0.608 -1.696
128 HH2 TRP 18 HH2 TRP 18 14.467 1.439 -1.737
129 H GLY 19 H GLY 19 16.010 -5.260 2.574
130 HA2 GLY 19 HA2 GLY 19 18.889 -5.743 2.970
131 HA3 GLY 19 HA3 GLY 19 17.709 -6.782 3.754
132 H LYS 20 H LYS 20 15.839 -6.892 1.611
133 HA LYS 20 HA LYS 20 17.391 -8.449 -0.352
134 HB2 LYS 20 HB2 LYS 20 14.694 -8.957 0.883
135 HB3 LYS 20 HB3 LYS 20 15.167 -9.716 -0.631
136 HG2 LYS 20 HG2 LYS 20 16.873 -10.949 0.385
137 HG3 LYS 20 HG3 LYS 20 16.862 -9.937 1.831
138 HD2 LYS 20 HD2 LYS 20 14.526 -10.768 2.264
139 HD3 LYS 20 HD3 LYS 20 14.775 -11.927 0.956
140 HE2 LYS 20 HE2 LYS 20 15.326 -13.139 2.864
141 HE3 LYS 20 HE3 LYS 20 16.892 -12.609 2.253
142 HZ1 LYS 20 HZ1 LYS 20 15.964 -12.245 4.782
143 HZ2 LYS 20 HZ2 LYS 20 15.717 -10.731 4.070
144 HZ3 LYS 20 HZ3 LYS 20 17.263 -11.419 4.080
145 H ALA 21 H ALA 21 16.519 -5.584 -0.369
146 HA ALA 21 HA ALA 21 14.924 -5.670 -2.847
147 HB1 ALA 21 HB1 ALA 21 14.998 -3.197 -1.199
148 HB2 ALA 21 HB2 ALA 21 13.714 -3.836 -2.227
149 HB3 ALA 21 HB3 ALA 21 14.010 -4.548 -0.641
150 H ILE 22 H ILE 22 17.699 -4.350 -1.190
151 HA ILE 22 HA ILE 22 18.449 -2.376 -3.032
152 HB ILE 22 HB ILE 22 20.192 -4.072 -1.242
153 HG12 ILE 22 HG12 ILE 22 20.182 -1.625 -0.124
154 HG13 ILE 22 HG13 ILE 22 18.592 -1.596 -0.880
155 HG21 ILE 22 HG21 ILE 22 21.732 -2.013 -1.522
156 HG22 ILE 22 HG22 ILE 22 21.699 -3.236 -2.791
157 HG23 ILE 22 HG23 ILE 22 20.807 -1.728 -2.997
158 HD11 ILE 22 HD11 ILE 22 17.797 -3.321 0.434
159 HD12 ILE 22 HD12 ILE 22 19.416 -3.905 0.824
160 HD13 ILE 22 HD13 ILE 22 18.818 -2.413 1.549
161 H GLY 23 H GLY 23 19.784 -2.379 -4.820
162 HA2 GLY 23 HA2 GLY 23 21.160 -3.302 -6.476
163 HA3 GLY 23 HA3 GLY 23 20.923 -4.888 -5.757
164 H ILE 24 H ILE 24 17.937 -4.286 -5.743
165 HA ILE 24 HA ILE 24 17.477 -5.216 -8.478
166 HB ILE 24 HB ILE 24 15.619 -5.202 -6.096
167 HG12 ILE 24 HG12 ILE 24 16.805 -7.627 -7.421
168 HG13 ILE 24 HG13 ILE 24 17.687 -6.767 -6.164
169 HG21 ILE 24 HG21 ILE 24 14.244 -6.725 -7.528
170 HG22 ILE 24 HG22 ILE 24 14.310 -5.053 -8.082
171 HG23 ILE 24 HG23 ILE 24 15.282 -6.287 -8.885
172 HD11 ILE 24 HD11 ILE 24 15.561 -8.673 -5.924
173 HD12 ILE 24 HD12 ILE 24 16.602 -7.987 -4.676
174 HD13 ILE 24 HD13 ILE 24 15.119 -7.155 -5.143
175 H ILE 25 H ILE 25 16.932 -2.497 -6.421
176 HA ILE 25 HA ILE 25 14.716 -1.286 -7.529
177 HB ILE 25 HB ILE 25 17.241 0.086 -6.597
178 HG12 ILE 25 HG12 ILE 25 14.707 -0.328 -5.020
179 HG13 ILE 25 HG13 ILE 25 16.005 -1.517 -5.009
180 HG21 ILE 25 HG21 ILE 25 14.809 1.111 -7.733
181 HG22 ILE 25 HG22 ILE 25 14.993 1.668 -6.071
182 HG23 ILE 25 HG23 ILE 25 16.269 1.974 -7.249
183 HD11 ILE 25 HD11 ILE 25 17.242 0.927 -4.498
184 HD12 ILE 25 HD12 ILE 25 15.760 0.935 -3.543
185 HD13 ILE 25 HD13 ILE 25 16.923 -0.377 -3.355
186 H GLY 26 H GLY 26 18.040 -1.324 -8.722
187 HA2 GLY 26 HA2 GLY 26 17.411 0.447 -10.928
188 HA3 GLY 26 HA3 GLY 26 18.956 -0.332 -10.620
189 H ASN 27 H ASN 27 17.659 -2.989 -10.375
190 HA ASN 27 HA ASN 27 17.904 -3.775 -13.087
191 HB2 ASN 27 HB2 ASN 27 17.242 -5.128 -10.519
192 HB3 ASN 27 HB3 ASN 27 16.790 -5.951 -12.009
193 HD21 ASN 27 HD21 ASN 27 19.582 -3.954 -11.128
194 HD22 ASN 27 HD22 ASN 27 20.773 -5.141 -11.525
195 H ASN 28 H ASN 28 15.202 -2.917 -11.063
196 HA ASN 28 HA ASN 28 13.117 -4.072 -12.533
197 HB2 ASN 28 HB2 ASN 28 13.172 -1.559 -10.851
198 HB3 ASN 28 HB3 ASN 28 11.698 -2.285 -11.487
199 HD21 ASN 28 HD21 ASN 28 11.972 -4.890 -11.098
200 HD22 ASN 28 HD22 ASN 28 12.168 -5.263 -9.422
201 H ALA 29 H ALA 29 14.515 -0.805 -12.739
202 HA ALA 29 HA ALA 29 12.902 -0.015 -14.949
203 HB1 ALA 29 HB1 ALA 29 15.526 1.280 -14.373
204 HB2 ALA 29 HB2 ALA 29 13.992 2.007 -14.851
205 HB3 ALA 29 HB3 ALA 29 14.215 1.421 -13.203
206 H ALA 30 H ALA 30 16.058 -1.506 -14.616
207 HA ALA 30 HA ALA 30 17.099 -1.104 -17.156
208 HB1 ALA 30 HB1 ALA 30 17.568 -2.942 -14.951
209 HB2 ALA 30 HB2 ALA 30 17.921 -3.653 -16.526
210 HB3 ALA 30 HB3 ALA 30 18.716 -2.157 -16.036
211 H ALA 31 H ALA 31 14.952 -3.693 -16.014
212 HA ALA 31 HA ALA 31 14.832 -5.176 -18.376
213 HB1 ALA 31 HB1 ALA 31 13.203 -4.950 -15.933
214 HB2 ALA 31 HB2 ALA 31 12.377 -5.605 -17.347
215 HB3 ALA 31 HB3 ALA 31 13.844 -6.378 -16.746
216 H ASN 32 H ASN 32 13.322 -2.176 -17.504
217 HA ASN 32 HA ASN 32 11.417 -2.283 -19.691
218 HB2 ASN 32 HB2 ASN 32 12.043 -0.196 -17.600
219 HB3 ASN 32 HB3 ASN 32 10.885 0.074 -18.900
220 HD21 ASN 32 HD21 ASN 32 10.815 -0.335 -15.846
221 HD22 ASN 32 HD22 ASN 32 9.501 -1.437 -15.632
222 H LEU 33 H LEU 33 14.521 -0.868 -18.957
223 HA LEU 33 HA LEU 33 14.562 1.012 -21.089
224 HB2 LEU 33 HB2 LEU 33 16.542 -0.131 -19.198
225 HB3 LEU 33 HB3 LEU 33 17.159 0.628 -20.664
226 HG LEU 33 HG LEU 33 15.227 2.139 -18.968
227 HD11 LEU 33 HD11 LEU 33 16.703 1.430 -17.273
228 HD12 LEU 33 HD12 LEU 33 17.240 3.045 -17.732
229 HD13 LEU 33 HD13 LEU 33 18.115 1.628 -18.311
230 HD21 LEU 33 HD21 LEU 33 17.633 2.922 -20.612
231 HD22 LEU 33 HD22 LEU 33 16.542 4.032 -19.781
232 HD23 LEU 33 HD23 LEU 33 15.947 3.045 -21.117
233 H THR 34 H THR 34 15.961 -2.235 -20.702
234 HA THR 34 HA THR 34 17.217 -2.452 -23.166
235 HB THR 34 HB THR 34 17.466 -4.104 -21.339
236 HG1 THR 34 HG1 THR 34 16.536 -5.451 -23.655
237 HG21 THR 34 HG21 THR 34 14.829 -4.162 -21.103
238 HG22 THR 34 HG22 THR 34 15.823 -5.554 -20.670
239 HG23 THR 34 HG23 THR 34 14.997 -5.509 -22.228
240 H THR 35 H THR 35 13.839 -2.684 -22.354
241 HA THR 35 HA THR 35 13.201 -3.531 -25.095
242 HB THR 35 HB THR 35 11.032 -4.167 -24.326
243 HG1 THR 35 HG1 THR 35 10.405 -3.750 -22.137
244 HG21 THR 35 HG21 THR 35 12.429 -5.145 -21.942
245 HG22 THR 35 HG22 THR 35 13.318 -5.379 -23.447
246 HG23 THR 35 HG23 THR 35 11.693 -6.039 -23.271
247 H GLY 36 H GLY 36 14.020 -0.792 -24.216
248 HA2 GLY 36 HA2 GLY 36 11.552 0.676 -24.891
249 HA3 GLY 36 HA3 GLY 36 12.917 1.358 -24.019
250 H GLY 37 H GLY 37 15.044 0.611 -25.579
251 HA2 GLY 37 HA2 GLY 37 14.440 1.544 -28.292
252 HA3 GLY 37 HA3 GLY 37 15.568 2.487 -27.329
253 H LYS 38 H LYS 38 17.642 2.030 -27.593
254 HA LYS 38 HA LYS 38 18.354 -0.598 -28.715
255 HB2 LYS 38 HB2 LYS 38 20.363 0.483 -29.609
256 HB3 LYS 38 HB3 LYS 38 18.904 1.284 -30.178
257 HG2 LYS 38 HG2 LYS 38 19.230 3.112 -28.695
258 HG3 LYS 38 HG3 LYS 38 20.526 2.267 -27.844
259 HD2 LYS 38 HD2 LYS 38 22.021 2.525 -29.621
260 HD3 LYS 38 HD3 LYS 38 20.731 2.865 -30.777
261 HE2 LYS 38 HE2 LYS 38 21.823 4.925 -30.340
262 HE3 LYS 38 HE3 LYS 38 20.281 4.978 -29.488
263 HZ1 LYS 38 HZ1 LYS 38 22.971 4.518 -28.334
264 HZ2 LYS 38 HZ2 LYS 38 21.544 4.233 -27.473
265 HZ3 LYS 38 HZ3 LYS 38 21.909 5.794 -28.011
266 H ALA 39 H ALA 39 20.590 -1.350 -28.114
267 HA ALA 39 HA ALA 39 21.255 -0.627 -25.338
268 HB1 ALA 39 HB1 ALA 39 20.337 -3.172 -26.347
269 HB2 ALA 39 HB2 ALA 39 21.926 -3.315 -25.595
270 HB3 ALA 39 HB3 ALA 39 20.576 -2.640 -24.682
271 H GLY 40 H GLY 40 23.454 -1.931 -24.811
272 HA2 GLY 40 HA2 GLY 40 25.282 -1.520 -27.089
273 HA3 GLY 40 HA3 GLY 40 25.635 -0.811 -25.520
274 H TRP 41 H TRP 41 24.653 -4.008 -26.765
275 HA TRP 41 HA TRP 41 25.859 -5.505 -24.746
276 HB2 TRP 41 HB2 TRP 41 25.559 -7.414 -26.159
277 HB3 TRP 41 HB3 TRP 41 24.199 -6.334 -26.449
278 HD1 TRP 41 HD1 TRP 41 25.057 -4.455 -28.638
279 HE1 TRP 41 HE1 TRP 41 25.790 -5.257 -30.971
280 HE3 TRP 41 HE3 TRP 41 26.338 -9.266 -27.476
281 HZ2 TRP 41 HZ2 TRP 41 26.780 -7.618 -32.162
282 HZ3 TRP 41 HZ3 TRP 41 27.168 -10.731 -29.270
283 HH2 TRP 41 HH2 TRP 41 27.383 -9.923 -31.564
284 H LYS 42 H LYS 42 27.197 -4.085 -27.640
285 HA LYS 42 HA LYS 42 29.839 -4.187 -26.730
286 HB2 LYS 42 HB2 LYS 42 29.072 -6.677 -27.586
287 HB3 LYS 42 HB3 LYS 42 29.800 -6.003 -29.038
288 HG2 LYS 42 HG2 LYS 42 31.890 -5.912 -28.120
289 HG3 LYS 42 HG3 LYS 42 31.278 -5.754 -26.471
290 HD2 LYS 42 HD2 LYS 42 30.638 -8.285 -27.847
291 HD3 LYS 42 HD3 LYS 42 32.343 -8.024 -27.470
292 HE2 LYS 42 HE2 LYS 42 31.723 -8.969 -25.506
293 HE3 LYS 42 HE3 LYS 42 31.282 -7.304 -25.128
294 HZ1 LYS 42 HZ1 LYS 42 29.223 -8.839 -26.459
295 HZ2 LYS 42 HZ2 LYS 42 29.109 -7.794 -25.134
296 HZ3 LYS 42 HZ3 LYS 42 29.620 -9.390 -24.909
297 H GLY 43 H GLY 43 31.326 -4.191 -28.999
298 HA2 GLY 43 HA2 GLY 43 30.863 -3.286 -31.362
299 HA3 GLY 43 HA3 GLY 43 30.142 -1.943 -30.488
Start of MODEL 14
1 H1 LYS 1 H LYS 1 3.908 -10.019 5.760
2 HA LYS 1 HA LYS 1 2.820 -9.774 3.031
3 HB2 LYS 1 HB2 LYS 1 2.932 -7.798 5.270
4 HB3 LYS 1 HB3 LYS 1 3.080 -7.211 3.619
5 HG2 LYS 1 HG2 LYS 1 0.838 -9.052 4.255
6 HG3 LYS 1 HG3 LYS 1 0.746 -7.385 4.827
7 HD2 LYS 1 HD2 LYS 1 -0.257 -7.205 2.762
8 HD3 LYS 1 HD3 LYS 1 1.418 -6.816 2.362
9 HE2 LYS 1 HE2 LYS 1 1.748 -8.774 1.242
10 HE3 LYS 1 HE3 LYS 1 0.606 -9.667 2.245
11 HZ1 LYS 1 HZ1 LYS 1 0.024 -9.094 -0.205
12 HZ2 LYS 1 HZ2 LYS 1 -0.402 -7.587 0.433
13 HZ3 LYS 1 HZ3 LYS 1 -1.168 -8.988 0.991
14 H TYR 2 H TYR 2 4.181 -9.069 1.443
15 HA TYR 2 HA TYR 2 6.719 -7.874 1.986
16 HB2 TYR 2 HB2 TYR 2 7.160 -10.269 2.553
17 HB3 TYR 2 HB3 TYR 2 6.755 -10.693 0.894
18 HD1 TYR 2 HD2 TYR 2 8.843 -7.979 2.400
19 HD2 TYR 2 HD1 TYR 2 8.660 -11.299 -0.255
20 HE1 TYR 2 HE2 TYR 2 11.173 -7.565 1.731
21 HE2 TYR 2 HE1 TYR 2 10.990 -10.895 -0.931
22 HH TYR 2 HH TYR 2 12.976 -9.816 -0.137
23 H TYR 3 H TYR 3 6.942 -6.483 0.378
24 HA TYR 3 HA TYR 3 5.597 -6.935 -2.153
25 HB2 TYR 3 HB2 TYR 3 6.954 -4.600 -0.859
26 HB3 TYR 3 HB3 TYR 3 6.691 -4.591 -2.600
27 HD1 TYR 3 HD2 TYR 3 4.725 -5.426 0.476
28 HD2 TYR 3 HD1 TYR 3 4.806 -3.484 -3.309
29 HE1 TYR 3 HE2 TYR 3 2.420 -4.646 0.833
30 HE2 TYR 3 HE1 TYR 3 2.501 -2.698 -2.962
31 HH TYR 3 HH TYR 3 0.674 -3.592 -0.052
32 H GLY 4 H GLY 4 8.895 -6.570 -0.928
33 HA2 GLY 4 HA2 GLY 4 10.466 -8.150 -2.134
34 HA3 GLY 4 HA3 GLY 4 9.895 -7.355 -3.593
35 H ASN 5 H ASN 5 9.805 -4.771 -1.971
36 HA ASN 5 HA ASN 5 12.599 -4.072 -2.461
37 HB2 ASN 5 HB2 ASN 5 10.465 -2.094 -1.719
38 HB3 ASN 5 HB3 ASN 5 11.905 -1.854 -2.704
39 HD21 ASN 5 HD21 ASN 5 8.677 -3.177 -2.622
40 HD22 ASN 5 HD22 ASN 5 8.458 -3.261 -4.334
41 H GLY 6 H GLY 6 11.553 -5.546 -0.045
42 HA2 GLY 6 HA2 GLY 6 12.277 -5.653 2.146
43 HA3 GLY 6 HA3 GLY 6 13.157 -4.154 1.884
44 H VAL 7 H VAL 7 9.704 -4.597 1.368
45 HA VAL 7 HA VAL 7 9.202 -2.500 3.346
46 HB VAL 7 HB VAL 7 7.135 -3.677 1.508
47 HG11 VAL 7 HG11 VAL 7 6.735 -2.028 3.512
48 HG12 VAL 7 HG12 VAL 7 7.284 -0.822 2.347
49 HG13 VAL 7 HG13 VAL 7 5.876 -1.821 1.987
50 HG21 VAL 7 HG21 VAL 7 9.391 -1.869 0.851
51 HG22 VAL 7 HG22 VAL 7 8.560 -3.056 -0.155
52 HG23 VAL 7 HG23 VAL 7 7.815 -1.488 0.157
53 H SER 8 H SER 8 7.879 -2.761 5.103
54 HA SER 8 HA SER 8 6.726 -5.422 5.565
55 HB2 SER 8 HB2 SER 8 8.750 -5.543 6.804
56 HB3 SER 8 HB3 SER 8 8.565 -3.898 7.411
57 HG SER 8 HG SER 8 6.929 -6.127 8.057
58 H CYS 9 H CYS 9 4.612 -5.067 5.703
59 HA CYS 9 HA CYS 9 3.434 -3.635 7.791
60 HB2 CYS 9 HB2 CYS 9 2.340 -1.813 6.409
61 HB3 CYS 9 HB3 CYS 9 4.054 -1.590 6.745
62 H ASN 10 H ASN 10 0.974 -3.058 7.011
63 HA ASN 10 HA ASN 10 -0.050 -5.037 5.166
64 HB2 ASN 10 HB2 ASN 10 -1.674 -5.799 7.093
65 HB3 ASN 10 HB3 ASN 10 -0.091 -6.549 6.913
66 HD21 ASN 10 HD21 ASN 10 1.582 -5.948 8.340
67 HD22 ASN 10 HD22 ASN 10 1.230 -5.253 9.882
68 H LYS 11 H LYS 11 -1.208 -3.065 7.907
69 HA LYS 11 HA LYS 11 -2.862 -1.525 6.052
70 HB2 LYS 11 HB2 LYS 11 -4.777 -1.720 7.724
71 HB3 LYS 11 HB3 LYS 11 -4.454 -3.130 6.724
72 HG2 LYS 11 HG2 LYS 11 -3.351 -4.241 8.534
73 HG3 LYS 11 HG3 LYS 11 -3.436 -2.791 9.536
74 HD2 LYS 11 HD2 LYS 11 -5.163 -4.295 10.243
75 HD3 LYS 11 HD3 LYS 11 -5.923 -2.935 9.413
76 HE2 LYS 11 HE2 LYS 11 -6.298 -4.227 7.460
77 HE3 LYS 11 HE3 LYS 11 -5.256 -5.527 8.036
78 HZ1 LYS 11 HZ1 LYS 11 -7.703 -5.937 8.229
79 HZ2 LYS 11 HZ2 LYS 11 -7.755 -4.734 9.417
80 HZ3 LYS 11 HZ3 LYS 11 -6.832 -6.129 9.667
81 H LYS 12 H LYS 12 -1.640 -1.946 9.340
82 HA LYS 12 HA LYS 12 -2.319 0.451 10.492
83 HB2 LYS 12 HB2 LYS 12 -0.871 -1.613 11.331
84 HB3 LYS 12 HB3 LYS 12 0.461 -0.539 10.921
85 HG2 LYS 12 HG2 LYS 12 0.231 0.380 12.921
86 HG3 LYS 12 HG3 LYS 12 -1.313 1.040 12.377
87 HD2 LYS 12 HD2 LYS 12 -2.537 -0.635 13.395
88 HD3 LYS 12 HD3 LYS 12 -1.183 -1.767 13.395
89 HE2 LYS 12 HE2 LYS 12 -1.769 -0.883 15.648
90 HE3 LYS 12 HE3 LYS 12 -0.102 -0.572 15.166
91 HZ1 LYS 12 HZ1 LYS 12 -0.612 1.674 14.697
92 HZ2 LYS 12 HZ2 LYS 12 -1.290 1.344 16.211
93 HZ3 LYS 12 HZ3 LYS 12 -2.278 1.415 14.840
94 H GLY 13 H GLY 13 0.852 -0.141 8.955
95 HA2 GLY 13 HA2 GLY 13 0.785 2.253 7.428
96 HA3 GLY 13 HA3 GLY 13 1.710 2.497 8.903
97 H CYS 14 H CYS 14 2.661 2.598 6.173
98 HA CYS 14 HA CYS 14 4.356 0.216 5.989
99 HB2 CYS 14 HB2 CYS 14 3.363 2.235 4.068
100 HB3 CYS 14 HB3 CYS 14 5.003 1.657 3.791
101 H SER 15 H SER 15 6.610 0.350 5.871
102 HA SER 15 HA SER 15 7.973 2.862 6.156
103 HB2 SER 15 HB2 SER 15 9.060 1.946 8.376
104 HB3 SER 15 HB3 SER 15 7.542 2.842 8.431
105 HG SER 15 HG SER 15 7.193 1.028 9.611
106 H VAL 16 H VAL 16 8.373 1.252 4.145
107 HA VAL 16 HA VAL 16 10.022 -0.938 4.290
108 HB VAL 16 HB VAL 16 9.219 -0.365 2.154
109 HG11 VAL 16 HG11 VAL 16 10.565 2.305 2.534
110 HG12 VAL 16 HG12 VAL 16 9.851 1.760 1.015
111 HG13 VAL 16 HG13 VAL 16 8.834 1.983 2.439
112 HG21 VAL 16 HG21 VAL 16 12.153 0.330 2.092
113 HG22 VAL 16 HG22 VAL 16 11.513 -1.310 2.197
114 HG23 VAL 16 HG23 VAL 16 11.190 -0.327 0.769
115 H ASP 17 H ASP 17 11.794 -1.136 5.497
116 HA ASP 17 HA ASP 17 13.442 0.901 6.412
117 HB2 ASP 17 HB2 ASP 17 14.749 -0.752 7.331
118 HB3 ASP 17 HB3 ASP 17 13.282 -1.674 7.012
119 H TRP 18 H TRP 18 13.380 -0.686 3.340
120 HA TRP 18 HA TRP 18 14.569 -0.403 1.422
121 HB2 TRP 18 HB2 TRP 18 14.984 2.204 2.836
122 HB3 TRP 18 HB3 TRP 18 15.875 1.877 1.352
123 HD1 TRP 18 HD1 TRP 18 12.899 3.587 2.355
124 HE1 TRP 18 HE1 TRP 18 11.164 3.730 0.460
125 HE3 TRP 18 HE3 TRP 18 14.811 0.019 -0.767
126 HZ2 TRP 18 HZ2 TRP 18 10.671 2.493 -2.029
127 HZ3 TRP 18 HZ3 TRP 18 13.647 -0.441 -2.885
128 HH2 TRP 18 HH2 TRP 18 11.620 0.771 -3.501
129 H GLY 19 H GLY 19 15.773 -1.980 3.399
130 HA2 GLY 19 HA2 GLY 19 18.631 -1.359 2.969
131 HA3 GLY 19 HA3 GLY 19 18.027 -2.120 4.434
132 H LYS 20 H LYS 20 16.154 -3.841 3.004
133 HA LYS 20 HA LYS 20 18.083 -5.869 2.168
134 HB2 LYS 20 HB2 LYS 20 15.131 -6.085 2.786
135 HB3 LYS 20 HB3 LYS 20 16.178 -7.437 2.375
136 HG2 LYS 20 HG2 LYS 20 16.714 -5.653 4.728
137 HG3 LYS 20 HG3 LYS 20 15.673 -7.075 4.831
138 HD2 LYS 20 HD2 LYS 20 17.631 -8.377 3.850
139 HD3 LYS 20 HD3 LYS 20 18.610 -6.950 4.195
140 HE2 LYS 20 HE2 LYS 20 16.906 -8.074 6.363
141 HE3 LYS 20 HE3 LYS 20 18.390 -8.922 5.933
142 HZ1 LYS 20 HZ1 LYS 20 18.117 -6.677 7.552
143 HZ2 LYS 20 HZ2 LYS 20 18.925 -6.169 6.155
144 HZ3 LYS 20 HZ3 LYS 20 19.549 -7.443 7.077
145 H ALA 21 H ALA 21 17.012 -3.513 0.529
146 HA ALA 21 HA ALA 21 16.177 -5.111 -1.804
147 HB1 ALA 21 HB1 ALA 21 15.435 -2.241 -1.665
148 HB2 ALA 21 HB2 ALA 21 14.586 -3.597 -2.407
149 HB3 ALA 21 HB3 ALA 21 14.536 -3.376 -0.658
150 H ILE 22 H ILE 22 18.077 -2.421 -0.592
151 HA ILE 22 HA ILE 22 19.056 -1.321 -2.920
152 HB ILE 22 HB ILE 22 20.714 -1.809 -0.446
153 HG12 ILE 22 HG12 ILE 22 18.641 -0.800 0.253
154 HG13 ILE 22 HG13 ILE 22 19.885 0.446 0.259
155 HG21 ILE 22 HG21 ILE 22 22.276 -0.798 -1.678
156 HG22 ILE 22 HG22 ILE 22 21.110 -0.320 -2.911
157 HG23 ILE 22 HG23 ILE 22 21.325 0.672 -1.469
158 HD11 ILE 22 HD11 ILE 22 17.468 0.189 -1.392
159 HD12 ILE 22 HD12 ILE 22 18.303 1.628 -0.805
160 HD13 ILE 22 HD13 ILE 22 18.911 0.772 -2.222
161 H GLY 23 H GLY 23 20.790 -1.724 -4.282
162 HA2 GLY 23 HA2 GLY 23 22.617 -2.916 -5.137
163 HA3 GLY 23 HA3 GLY 23 22.381 -4.130 -3.889
164 H ILE 24 H ILE 24 19.627 -4.632 -4.367
165 HA ILE 24 HA ILE 24 19.888 -6.402 -6.631
166 HB ILE 24 HB ILE 24 17.551 -5.939 -4.775
167 HG12 ILE 24 HG12 ILE 24 19.242 -8.406 -4.803
168 HG13 ILE 24 HG13 ILE 24 19.849 -6.969 -3.987
169 HG21 ILE 24 HG21 ILE 24 17.049 -8.346 -5.741
170 HG22 ILE 24 HG22 ILE 24 16.496 -6.887 -6.561
171 HG23 ILE 24 HG23 ILE 24 17.948 -7.717 -7.121
172 HD11 ILE 24 HD11 ILE 24 17.412 -7.066 -2.912
173 HD12 ILE 24 HD12 ILE 24 17.644 -8.781 -3.251
174 HD13 ILE 24 HD13 ILE 24 18.799 -7.919 -2.236
175 H ILE 25 H ILE 25 18.432 -3.335 -5.950
176 HA ILE 25 HA ILE 25 16.478 -3.269 -7.969
177 HB ILE 25 HB ILE 25 18.056 -0.954 -6.840
178 HG12 ILE 25 HG12 ILE 25 15.396 -2.120 -5.990
179 HG13 ILE 25 HG13 ILE 25 16.909 -2.266 -5.103
180 HG21 ILE 25 HG21 ILE 25 16.934 0.334 -8.255
181 HG22 ILE 25 HG22 ILE 25 16.135 -1.083 -8.933
182 HG23 ILE 25 HG23 ILE 25 15.416 -0.237 -7.563
183 HD11 ILE 25 HD11 ILE 25 16.077 -0.515 -3.972
184 HD12 ILE 25 HD12 ILE 25 16.752 0.405 -5.318
185 HD13 ILE 25 HD13 ILE 25 15.038 -0.009 -5.304
186 H GLY 26 H GLY 26 19.925 -2.527 -8.000
187 HA2 GLY 26 HA2 GLY 26 19.871 -1.522 -10.704
188 HA3 GLY 26 HA3 GLY 26 21.301 -1.814 -9.725
189 H ASN 27 H ASN 27 20.774 -4.548 -9.124
190 HA ASN 27 HA ASN 27 21.991 -5.795 -11.312
191 HB2 ASN 27 HB2 ASN 27 20.548 -6.860 -8.893
192 HB3 ASN 27 HB3 ASN 27 21.209 -7.943 -10.114
193 HD21 ASN 27 HD21 ASN 27 23.551 -6.936 -10.786
194 HD22 ASN 27 HD22 ASN 27 24.608 -6.811 -9.425
195 H ASN 28 H ASN 28 18.599 -5.662 -10.318
196 HA ASN 28 HA ASN 28 17.541 -7.481 -12.144
197 HB2 ASN 28 HB2 ASN 28 16.377 -5.025 -10.839
198 HB3 ASN 28 HB3 ASN 28 15.427 -6.045 -11.915
199 HD21 ASN 28 HD21 ASN 28 15.082 -5.491 -9.077
200 HD22 ASN 28 HD22 ASN 28 15.122 -7.024 -8.281
201 H ALA 29 H ALA 29 18.053 -3.982 -12.478
202 HA ALA 29 HA ALA 29 17.016 -3.800 -15.109
203 HB1 ALA 29 HB1 ALA 29 19.004 -1.960 -13.787
204 HB2 ALA 29 HB2 ALA 29 17.952 -1.586 -15.153
205 HB3 ALA 29 HB3 ALA 29 17.257 -1.880 -13.559
206 H ALA 30 H ALA 30 20.097 -4.733 -13.821
207 HA ALA 30 HA ALA 30 21.753 -4.256 -16.022
208 HB1 ALA 30 HB1 ALA 30 21.973 -5.542 -13.523
209 HB2 ALA 30 HB2 ALA 30 22.528 -6.690 -14.743
210 HB3 ALA 30 HB3 ALA 30 23.267 -5.092 -14.634
211 H ALA 31 H ALA 31 19.413 -6.771 -15.416
212 HA ALA 31 HA ALA 31 20.262 -8.663 -17.306
213 HB1 ALA 31 HB1 ALA 31 18.433 -8.804 -15.462
214 HB2 ALA 31 HB2 ALA 31 17.360 -8.233 -16.741
215 HB3 ALA 31 HB3 ALA 31 18.253 -9.740 -16.947
216 H ASN 32 H ASN 32 18.601 -5.638 -17.658
217 HA ASN 32 HA ASN 32 17.600 -6.164 -20.297
218 HB2 ASN 32 HB2 ASN 32 17.823 -3.674 -18.613
219 HB3 ASN 32 HB3 ASN 32 17.248 -3.623 -20.277
220 HD21 ASN 32 HD21 ASN 32 16.715 -5.665 -17.419
221 HD22 ASN 32 HD22 ASN 32 14.990 -5.645 -17.519
222 H LEU 33 H LEU 33 20.505 -4.821 -18.916
223 HA LEU 33 HA LEU 33 21.483 -3.521 -21.227
224 HB2 LEU 33 HB2 LEU 33 22.794 -4.599 -18.753
225 HB3 LEU 33 HB3 LEU 33 23.733 -3.866 -20.051
226 HG LEU 33 HG LEU 33 21.531 -2.446 -18.560
227 HD11 LEU 33 HD11 LEU 33 23.752 -3.211 -17.330
228 HD12 LEU 33 HD12 LEU 33 23.018 -1.633 -17.045
229 HD13 LEU 33 HD13 LEU 33 24.391 -1.782 -18.142
230 HD21 LEU 33 HD21 LEU 33 23.076 -0.512 -19.528
231 HD22 LEU 33 HD22 LEU 33 21.747 -1.210 -20.455
232 HD23 LEU 33 HD23 LEU 33 23.403 -1.743 -20.748
233 H THR 34 H THR 34 21.553 -6.833 -20.139
234 HA THR 34 HA THR 34 23.335 -7.575 -22.348
235 HB THR 34 HB THR 34 23.877 -8.452 -20.089
236 HG1 THR 34 HG1 THR 34 24.540 -10.287 -20.979
237 HG21 THR 34 HG21 THR 34 21.397 -8.699 -19.476
238 HG22 THR 34 HG22 THR 34 22.500 -9.967 -18.942
239 HG23 THR 34 HG23 THR 34 21.469 -10.230 -20.348
240 H THR 35 H THR 35 20.055 -7.805 -21.248
241 HA THR 35 HA THR 35 19.386 -9.333 -23.676
242 HB THR 35 HB THR 35 17.866 -9.585 -21.081
243 HG1 THR 35 HG1 THR 35 19.168 -11.189 -20.520
244 HG21 THR 35 HG21 THR 35 17.466 -11.863 -22.523
245 HG22 THR 35 HG22 THR 35 17.599 -10.656 -23.802
246 HG23 THR 35 HG23 THR 35 16.389 -10.467 -22.534
247 H GLY 36 H GLY 36 19.193 -7.010 -24.417
248 HA2 GLY 36 HA2 GLY 36 16.627 -5.824 -23.582
249 HA3 GLY 36 HA3 GLY 36 17.940 -4.949 -24.356
250 H GLY 37 H GLY 37 18.067 -4.877 -26.560
251 HA2 GLY 37 HA2 GLY 37 17.238 -6.439 -28.536
252 HA3 GLY 37 HA3 GLY 37 15.694 -5.816 -27.976
253 H LYS 38 H LYS 38 15.836 -3.287 -27.625
254 HA LYS 38 HA LYS 38 16.975 -2.187 -30.110
255 HB2 LYS 38 HB2 LYS 38 14.620 -1.120 -28.546
256 HB3 LYS 38 HB3 LYS 38 15.181 -0.567 -30.118
257 HG2 LYS 38 HG2 LYS 38 14.169 -3.352 -29.607
258 HG3 LYS 38 HG3 LYS 38 13.145 -2.022 -30.154
259 HD2 LYS 38 HD2 LYS 38 14.787 -1.746 -32.073
260 HD3 LYS 38 HD3 LYS 38 15.463 -3.302 -31.585
261 HE2 LYS 38 HE2 LYS 38 12.570 -2.833 -32.294
262 HE3 LYS 38 HE3 LYS 38 13.782 -3.470 -33.405
263 HZ1 LYS 38 HZ1 LYS 38 12.308 -5.120 -32.163
264 HZ2 LYS 38 HZ2 LYS 38 13.258 -4.773 -30.807
265 HZ3 LYS 38 HZ3 LYS 38 13.971 -5.428 -32.195
266 H ALA 39 H ALA 39 17.118 0.360 -29.854
267 HA ALA 39 HA ALA 39 18.474 0.924 -27.298
268 HB1 ALA 39 HB1 ALA 39 19.430 1.261 -30.078
269 HB2 ALA 39 HB2 ALA 39 19.831 2.540 -28.931
270 HB3 ALA 39 HB3 ALA 39 20.325 0.878 -28.606
271 H GLY 40 H GLY 40 18.389 3.083 -26.546
272 HA2 GLY 40 HA2 GLY 40 15.927 4.413 -27.148
273 HA3 GLY 40 HA3 GLY 40 17.155 4.957 -26.015
274 H TRP 41 H TRP 41 19.301 4.967 -27.962
275 HA TRP 41 HA TRP 41 18.514 7.388 -29.436
276 HB2 TRP 41 HB2 TRP 41 20.830 8.067 -29.353
277 HB3 TRP 41 HB3 TRP 41 20.315 7.629 -27.727
278 HD1 TRP 41 HD1 TRP 41 21.102 5.055 -26.928
279 HE1 TRP 41 HE1 TRP 41 23.331 3.858 -27.399
280 HE3 TRP 41 HE3 TRP 41 22.680 7.824 -30.925
281 HZ2 TRP 41 HZ2 TRP 41 25.475 4.061 -29.224
282 HZ3 TRP 41 HZ3 TRP 41 24.832 7.258 -31.976
283 HH2 TRP 41 HH2 TRP 41 26.199 5.415 -31.141
284 H LYS 42 H LYS 42 19.308 7.710 -31.572
285 HA LYS 42 HA LYS 42 19.152 5.413 -33.212
286 HB2 LYS 42 HB2 LYS 42 18.618 7.890 -33.763
287 HB3 LYS 42 HB3 LYS 42 20.333 8.019 -34.130
288 HG2 LYS 42 HG2 LYS 42 20.112 6.249 -35.799
289 HG3 LYS 42 HG3 LYS 42 18.391 6.119 -35.431
290 HD2 LYS 42 HD2 LYS 42 19.665 8.692 -36.331
291 HD3 LYS 42 HD3 LYS 42 19.019 7.504 -37.466
292 HE2 LYS 42 HE2 LYS 42 16.851 7.655 -36.148
293 HE3 LYS 42 HE3 LYS 42 17.545 9.075 -35.367
294 HZ1 LYS 42 HZ1 LYS 42 16.096 9.225 -37.562
295 HZ2 LYS 42 HZ2 LYS 42 17.612 9.010 -38.280
296 HZ3 LYS 42 HZ3 LYS 42 17.350 10.312 -37.232
297 H GLY 43 H GLY 43 20.747 3.939 -32.656
298 HA2 GLY 43 HA2 GLY 43 23.486 4.571 -32.363
299 HA3 GLY 43 HA3 GLY 43 22.828 2.968 -32.661
Start of MODEL 15
1 H1 LYS 1 H LYS 1 -0.868 -3.545 4.785
2 HA LYS 1 HA LYS 1 -1.363 -3.181 1.918
3 HB2 LYS 1 HB2 LYS 1 -1.117 -1.268 3.716
4 HB3 LYS 1 HB3 LYS 1 0.602 -1.532 3.455
5 HG2 LYS 1 HG2 LYS 1 0.484 -0.873 1.217
6 HG3 LYS 1 HG3 LYS 1 -1.272 -1.047 1.167
7 HD2 LYS 1 HD2 LYS 1 -1.498 0.848 2.704
8 HD3 LYS 1 HD3 LYS 1 0.258 1.022 2.746
9 HE2 LYS 1 HE2 LYS 1 -0.467 2.623 1.193
10 HE3 LYS 1 HE3 LYS 1 0.122 1.281 0.213
11 HZ1 LYS 1 HZ1 LYS 1 -2.713 1.294 0.920
12 HZ2 LYS 1 HZ2 LYS 1 -1.955 0.766 -0.497
13 HZ3 LYS 1 HZ3 LYS 1 -2.197 2.419 -0.234
14 H TYR 2 H TYR 2 0.626 -2.838 0.554
15 HA TYR 2 HA TYR 2 3.137 -3.855 1.285
16 HB2 TYR 2 HB2 TYR 2 2.074 -6.013 1.461
17 HB3 TYR 2 HB3 TYR 2 1.313 -5.818 -0.114
18 HD1 TYR 2 HD2 TYR 2 4.738 -5.794 1.389
19 HD2 TYR 2 HD1 TYR 2 2.280 -6.908 -1.900
20 HE1 TYR 2 HE2 TYR 2 6.665 -6.896 0.329
21 HE2 TYR 2 HE1 TYR 2 4.199 -8.014 -2.968
22 HH TYR 2 HH TYR 2 6.903 -8.885 -1.441
23 H TYR 3 H TYR 3 4.575 -3.150 -0.162
24 HA TYR 3 HA TYR 3 3.608 -1.918 -2.596
25 HB2 TYR 3 HB2 TYR 3 6.223 -1.950 -1.129
26 HB3 TYR 3 HB3 TYR 3 6.166 -1.410 -2.803
27 HD1 TYR 3 HD2 TYR 3 4.081 -0.868 0.260
28 HD2 TYR 3 HD1 TYR 3 6.143 0.878 -3.027
29 HE1 TYR 3 HE2 TYR 3 3.376 1.365 1.011
30 HE2 TYR 3 HE1 TYR 3 5.445 3.116 -2.284
31 HH TYR 3 HH TYR 3 4.676 4.022 0.353
32 H GLY 4 H GLY 4 6.512 -3.916 -2.085
33 HA2 GLY 4 HA2 GLY 4 5.849 -6.082 -3.676
34 HA3 GLY 4 HA3 GLY 4 6.497 -4.866 -4.767
35 H ASN 5 H ASN 5 8.381 -3.782 -2.856
36 HA ASN 5 HA ASN 5 10.551 -5.554 -3.356
37 HB2 ASN 5 HB2 ASN 5 10.678 -3.272 -1.403
38 HB3 ASN 5 HB3 ASN 5 11.937 -3.880 -2.474
39 HD21 ASN 5 HD21 ASN 5 9.954 -1.372 -1.981
40 HD22 ASN 5 HD22 ASN 5 9.779 -0.790 -3.599
41 H GLY 6 H GLY 6 9.262 -4.320 -0.259
42 HA2 GLY 6 HA2 GLY 6 8.991 -6.766 1.023
43 HA3 GLY 6 HA3 GLY 6 10.647 -6.247 1.301
44 H VAL 7 H VAL 7 7.865 -4.110 1.022
45 HA VAL 7 HA VAL 7 8.461 -3.051 3.671
46 HB VAL 7 HB VAL 7 6.409 -2.045 1.699
47 HG11 VAL 7 HG11 VAL 7 6.774 -1.405 4.340
48 HG12 VAL 7 HG12 VAL 7 7.709 -0.160 3.509
49 HG13 VAL 7 HG13 VAL 7 5.999 -0.379 3.134
50 HG21 VAL 7 HG21 VAL 7 9.341 -1.759 1.765
51 HG22 VAL 7 HG22 VAL 7 8.217 -1.628 0.412
52 HG23 VAL 7 HG23 VAL 7 8.430 -0.270 1.516
53 H SER 8 H SER 8 7.212 -3.310 5.427
54 HA SER 8 HA SER 8 4.681 -4.783 5.088
55 HB2 SER 8 HB2 SER 8 6.089 -6.254 6.255
56 HB3 SER 8 HB3 SER 8 6.813 -4.956 7.204
57 HG SER 8 HG SER 8 5.351 -5.334 8.647
58 H CYS 9 H CYS 9 3.095 -3.320 5.223
59 HA CYS 9 HA CYS 9 2.998 -1.635 7.622
60 HB2 CYS 9 HB2 CYS 9 2.296 -0.648 4.850
61 HB3 CYS 9 HB3 CYS 9 2.218 0.280 6.344
62 H ASN 10 H ASN 10 1.211 -2.098 8.704
63 HA ASN 10 HA ASN 10 -1.248 -2.674 7.198
64 HB2 ASN 10 HB2 ASN 10 -0.578 -4.110 9.759
65 HB3 ASN 10 HB3 ASN 10 -1.800 -4.521 8.560
66 HD21 ASN 10 HD21 ASN 10 1.541 -4.688 9.423
67 HD22 ASN 10 HD22 ASN 10 2.024 -5.786 8.180
68 H LYS 11 H LYS 11 -0.296 -2.384 10.622
69 HA LYS 11 HA LYS 11 -2.101 -0.089 10.881
70 HB2 LYS 11 HB2 LYS 11 -2.126 -2.551 12.632
71 HB3 LYS 11 HB3 LYS 11 -2.928 -1.043 13.051
72 HG2 LYS 11 HG2 LYS 11 -4.557 -1.304 11.457
73 HG3 LYS 11 HG3 LYS 11 -3.549 -2.338 10.442
74 HD2 LYS 11 HD2 LYS 11 -3.706 -3.949 12.527
75 HD3 LYS 11 HD3 LYS 11 -5.179 -3.026 12.838
76 HE2 LYS 11 HE2 LYS 11 -4.506 -4.501 10.293
77 HE3 LYS 11 HE3 LYS 11 -5.651 -5.028 11.525
78 HZ1 LYS 11 HZ1 LYS 11 -6.950 -4.034 9.885
79 HZ2 LYS 11 HZ2 LYS 11 -5.881 -2.742 9.667
80 HZ3 LYS 11 HZ3 LYS 11 -6.820 -2.835 11.071
81 H LYS 12 H LYS 12 0.344 -2.109 12.478
82 HA LYS 12 HA LYS 12 1.073 -0.427 14.542
83 HB2 LYS 12 HB2 LYS 12 1.937 -2.704 14.298
84 HB3 LYS 12 HB3 LYS 12 2.866 -2.214 12.887
85 HG2 LYS 12 HG2 LYS 12 4.009 -0.543 14.452
86 HG3 LYS 12 HG3 LYS 12 3.301 -1.492 15.762
87 HD2 LYS 12 HD2 LYS 12 4.482 -3.442 15.105
88 HD3 LYS 12 HD3 LYS 12 4.965 -2.715 13.571
89 HE2 LYS 12 HE2 LYS 12 6.867 -2.651 14.985
90 HE3 LYS 12 HE3 LYS 12 6.238 -1.005 14.909
91 HZ1 LYS 12 HZ1 LYS 12 5.241 -2.677 17.073
92 HZ2 LYS 12 HZ2 LYS 12 5.647 -1.035 17.072
93 HZ3 LYS 12 HZ3 LYS 12 6.863 -2.206 17.180
94 H GLY 13 H GLY 13 2.457 -0.531 11.257
95 HA2 GLY 13 HA2 GLY 13 2.656 2.157 10.797
96 HA3 GLY 13 HA3 GLY 13 4.103 1.775 11.719
97 H CYS 14 H CYS 14 5.802 0.815 10.724
98 HA CYS 14 HA CYS 14 5.500 -0.462 8.150
99 HB2 CYS 14 HB2 CYS 14 6.547 2.295 8.438
100 HB3 CYS 14 HB3 CYS 14 7.476 1.218 7.400
101 H SER 15 H SER 15 7.609 -1.298 7.338
102 HA SER 15 HA SER 15 9.819 -1.411 9.173
103 HB2 SER 15 HB2 SER 15 7.835 -3.224 9.694
104 HB3 SER 15 HB3 SER 15 8.883 -4.145 8.616
105 HG SER 15 HG SER 15 9.709 -4.464 10.614
106 H VAL 16 H VAL 16 9.544 -0.557 6.512
107 HA VAL 16 HA VAL 16 10.135 -2.335 4.498
108 HB VAL 16 HB VAL 16 9.756 -0.046 3.943
109 HG11 VAL 16 HG11 VAL 16 12.334 0.679 5.323
110 HG12 VAL 16 HG12 VAL 16 11.151 1.774 4.605
111 HG13 VAL 16 HG13 VAL 16 10.741 0.862 6.058
112 HG21 VAL 16 HG21 VAL 16 12.655 -0.567 3.317
113 HG22 VAL 16 HG22 VAL 16 11.320 -1.387 2.508
114 HG23 VAL 16 HG23 VAL 16 11.495 0.362 2.367
115 H ASP 17 H ASP 17 11.601 -3.907 4.540
116 HA ASP 17 HA ASP 17 13.998 -3.771 6.084
117 HB2 ASP 17 HB2 ASP 17 12.577 -5.765 4.511
118 HB3 ASP 17 HB3 ASP 17 14.320 -5.862 4.276
119 H TRP 18 H TRP 18 15.080 -1.924 5.297
120 HA TRP 18 HA TRP 18 15.831 -1.695 2.542
121 HB2 TRP 18 HB2 TRP 18 16.626 -0.217 5.045
122 HB3 TRP 18 HB3 TRP 18 17.375 0.123 3.487
123 HD1 TRP 18 HD1 TRP 18 14.832 1.518 5.559
124 HE1 TRP 18 HE1 TRP 18 13.054 2.801 4.212
125 HE3 TRP 18 HE3 TRP 18 15.859 -0.320 0.900
126 HZ2 TRP 18 HZ2 TRP 18 12.199 3.007 1.529
127 HZ3 TRP 18 HZ3 TRP 18 14.514 0.471 -1.003
128 HH2 TRP 18 HH2 TRP 18 12.722 2.100 -0.692
129 H GLY 19 H GLY 19 16.703 -3.980 2.547
130 HA2 GLY 19 HA2 GLY 19 19.600 -3.825 2.926
131 HA3 GLY 19 HA3 GLY 19 18.750 -5.133 3.735
132 H LYS 20 H LYS 20 17.174 -6.322 2.153
133 HA LYS 20 HA LYS 20 18.836 -7.312 0.005
134 HB2 LYS 20 HB2 LYS 20 16.211 -8.160 1.199
135 HB3 LYS 20 HB3 LYS 20 16.783 -8.858 -0.310
136 HG2 LYS 20 HG2 LYS 20 18.726 -9.747 0.754
137 HG3 LYS 20 HG3 LYS 20 18.365 -8.880 2.249
138 HD2 LYS 20 HD2 LYS 20 16.123 -10.214 2.143
139 HD3 LYS 20 HD3 LYS 20 17.034 -11.287 1.079
140 HE2 LYS 20 HE2 LYS 20 18.129 -10.456 3.743
141 HE3 LYS 20 HE3 LYS 20 16.982 -11.788 3.612
142 HZ1 LYS 20 HZ1 LYS 20 18.588 -12.685 1.861
143 HZ2 LYS 20 HZ2 LYS 20 19.050 -12.804 3.484
144 HZ3 LYS 20 HZ3 LYS 20 19.712 -11.595 2.503
145 H ALA 21 H ALA 21 16.091 -5.234 0.384
146 HA ALA 21 HA ALA 21 15.006 -5.399 -2.206
147 HB1 ALA 21 HB1 ALA 21 15.008 -3.035 -0.332
148 HB2 ALA 21 HB2 ALA 21 13.930 -3.277 -1.708
149 HB3 ALA 21 HB3 ALA 21 13.840 -4.357 -0.316
150 H ILE 22 H ILE 22 17.712 -3.597 -0.898
151 HA ILE 22 HA ILE 22 18.091 -1.719 -2.915
152 HB ILE 22 HB ILE 22 20.246 -3.140 -1.347
153 HG12 ILE 22 HG12 ILE 22 18.602 -2.147 0.148
154 HG13 ILE 22 HG13 ILE 22 20.085 -1.200 0.184
155 HG21 ILE 22 HG21 ILE 22 20.829 -0.414 -1.955
156 HG22 ILE 22 HG22 ILE 22 21.714 -1.868 -2.417
157 HG23 ILE 22 HG23 ILE 22 20.415 -1.262 -3.444
158 HD11 ILE 22 HD11 ILE 22 17.397 -0.479 -0.773
159 HD12 ILE 22 HD12 ILE 22 18.637 0.509 0.000
160 HD13 ILE 22 HD13 ILE 22 18.754 0.131 -1.718
161 H GLY 23 H GLY 23 19.336 -5.041 -2.670
162 HA2 GLY 23 HA2 GLY 23 20.851 -5.013 -5.039
163 HA3 GLY 23 HA3 GLY 23 20.217 -6.450 -4.252
164 H ILE 24 H ILE 24 17.448 -5.186 -4.550
165 HA ILE 24 HA ILE 24 16.803 -6.497 -7.007
166 HB ILE 24 HB ILE 24 15.037 -4.728 -5.312
167 HG12 ILE 24 HG12 ILE 24 15.961 -6.584 -4.002
168 HG13 ILE 24 HG13 ILE 24 14.242 -6.821 -4.294
169 HG21 ILE 24 HG21 ILE 24 14.632 -6.100 -7.805
170 HG22 ILE 24 HG22 ILE 24 13.555 -6.742 -6.566
171 HG23 ILE 24 HG23 ILE 24 13.547 -5.018 -6.933
172 HD11 ILE 24 HD11 ILE 24 14.732 -8.847 -5.027
173 HD12 ILE 24 HD12 ILE 24 15.532 -8.097 -6.409
174 HD13 ILE 24 HD13 ILE 24 16.461 -8.507 -4.968
175 H ILE 25 H ILE 25 17.351 -3.194 -6.025
176 HA ILE 25 HA ILE 25 16.181 -1.954 -8.302
177 HB ILE 25 HB ILE 25 18.381 -0.822 -6.576
178 HG12 ILE 25 HG12 ILE 25 16.529 -1.637 -5.172
179 HG13 ILE 25 HG13 ILE 25 16.614 0.121 -5.167
180 HG21 ILE 25 HG21 ILE 25 16.766 0.189 -8.754
181 HG22 ILE 25 HG22 ILE 25 16.596 1.172 -7.301
182 HG23 ILE 25 HG23 ILE 25 18.194 0.888 -7.990
183 HD11 ILE 25 HD11 ILE 25 14.377 -1.413 -5.634
184 HD12 ILE 25 HD12 ILE 25 14.558 0.307 -5.978
185 HD13 ILE 25 HD13 ILE 25 14.863 -0.882 -7.243
186 H GLY 26 H GLY 26 19.298 -3.364 -7.632
187 HA2 GLY 26 HA2 GLY 26 20.493 -2.215 -10.026
188 HA3 GLY 26 HA3 GLY 26 21.292 -3.260 -8.860
189 H ASN 27 H ASN 27 18.883 -5.114 -9.076
190 HA ASN 27 HA ASN 27 19.978 -6.719 -11.211
191 HB2 ASN 27 HB2 ASN 27 18.016 -7.136 -9.006
192 HB3 ASN 27 HB3 ASN 27 17.913 -8.198 -10.407
193 HD21 ASN 27 HD21 ASN 27 20.608 -6.753 -8.606
194 HD22 ASN 27 HD22 ASN 27 21.427 -8.244 -8.304
195 H ASN 28 H ASN 28 16.845 -5.212 -10.474
196 HA ASN 28 HA ASN 28 15.468 -6.041 -12.752
197 HB2 ASN 28 HB2 ASN 28 15.178 -3.755 -10.848
198 HB3 ASN 28 HB3 ASN 28 14.221 -3.748 -12.326
199 HD21 ASN 28 HD21 ASN 28 15.221 -6.338 -10.122
200 HD22 ASN 28 HD22 ASN 28 13.624 -6.907 -9.792
201 H ALA 29 H ALA 29 17.483 -3.178 -12.219
202 HA ALA 29 HA ALA 29 17.048 -2.131 -14.852
203 HB1 ALA 29 HB1 ALA 29 17.872 -1.007 -12.557
204 HB2 ALA 29 HB2 ALA 29 19.430 -1.260 -13.344
205 HB3 ALA 29 HB3 ALA 29 18.181 -0.309 -14.147
206 H ALA 30 H ALA 30 19.269 -4.359 -13.402
207 HA ALA 30 HA ALA 30 21.421 -4.194 -15.179
208 HB1 ALA 30 HB1 ALA 30 20.514 -6.000 -13.125
209 HB2 ALA 30 HB2 ALA 30 21.207 -6.886 -14.483
210 HB3 ALA 30 HB3 ALA 30 22.155 -5.645 -13.665
211 H ALA 31 H ALA 31 18.262 -5.575 -15.554
212 HA ALA 31 HA ALA 31 18.796 -7.351 -17.679
213 HB1 ALA 31 HB1 ALA 31 16.658 -6.981 -16.179
214 HB2 ALA 31 HB2 ALA 31 16.173 -5.959 -17.533
215 HB3 ALA 31 HB3 ALA 31 16.536 -7.663 -17.801
216 H ASN 32 H ASN 32 18.374 -3.903 -17.542
217 HA ASN 32 HA ASN 32 18.091 -3.681 -20.432
218 HB2 ASN 32 HB2 ASN 32 18.009 -1.693 -18.170
219 HB3 ASN 32 HB3 ASN 32 18.094 -1.172 -19.851
220 HD21 ASN 32 HD21 ASN 32 16.146 -2.622 -17.393
221 HD22 ASN 32 HD22 ASN 32 14.654 -2.595 -18.265
222 H LEU 33 H LEU 33 20.472 -3.208 -17.918
223 HA LEU 33 HA LEU 33 22.347 -1.753 -19.475
224 HB2 LEU 33 HB2 LEU 33 22.476 -3.304 -16.923
225 HB3 LEU 33 HB3 LEU 33 23.960 -2.735 -17.685
226 HG LEU 33 HG LEU 33 21.688 -0.923 -16.883
227 HD11 LEU 33 HD11 LEU 33 22.998 -2.263 -15.044
228 HD12 LEU 33 HD12 LEU 33 22.654 -0.545 -14.842
229 HD13 LEU 33 HD13 LEU 33 24.251 -1.067 -15.375
230 HD21 LEU 33 HD21 LEU 33 22.889 0.762 -17.728
231 HD22 LEU 33 HD22 LEU 33 23.777 -0.484 -18.606
232 HD23 LEU 33 HD23 LEU 33 24.401 0.132 -17.075
233 H THR 34 H THR 34 22.123 -5.192 -18.588
234 HA THR 34 HA THR 34 24.390 -6.111 -19.895
235 HB THR 34 HB THR 34 23.089 -7.533 -18.392
236 HG1 THR 34 HG1 THR 34 24.227 -8.888 -19.598
237 HG21 THR 34 HG21 THR 34 20.896 -7.896 -18.613
238 HG22 THR 34 HG22 THR 34 21.085 -8.402 -20.292
239 HG23 THR 34 HG23 THR 34 20.907 -6.692 -19.901
240 H THR 35 H THR 35 21.266 -5.236 -21.181
241 HA THR 35 HA THR 35 22.084 -6.158 -23.851
242 HB THR 35 HB THR 35 19.748 -5.959 -24.511
243 HG1 THR 35 HG1 THR 35 18.334 -4.913 -23.312
244 HG21 THR 35 HG21 THR 35 19.097 -7.923 -23.571
245 HG22 THR 35 HG22 THR 35 19.448 -7.379 -21.930
246 HG23 THR 35 HG23 THR 35 20.758 -7.917 -22.981
247 H GLY 36 H GLY 36 23.280 -3.831 -22.784
248 HA2 GLY 36 HA2 GLY 36 21.936 -1.642 -24.220
249 HA3 GLY 36 HA3 GLY 36 23.169 -1.444 -22.984
250 H GLY 37 H GLY 37 23.302 -3.659 -25.731
251 HA2 GLY 37 HA2 GLY 37 25.873 -2.568 -26.483
252 HA3 GLY 37 HA3 GLY 37 25.069 -3.950 -27.213
253 H LYS 38 H LYS 38 23.257 -3.490 -28.680
254 HA LYS 38 HA LYS 38 22.901 -0.855 -29.722
255 HB2 LYS 38 HB2 LYS 38 24.032 -0.964 -31.745
256 HB3 LYS 38 HB3 LYS 38 25.169 -1.733 -30.645
257 HG2 LYS 38 HG2 LYS 38 23.271 -3.144 -32.510
258 HG3 LYS 38 HG3 LYS 38 25.014 -2.964 -32.725
259 HD2 LYS 38 HD2 LYS 38 23.648 -4.432 -30.468
260 HD3 LYS 38 HD3 LYS 38 24.453 -5.177 -31.852
261 HE2 LYS 38 HE2 LYS 38 26.569 -4.133 -31.154
262 HE3 LYS 38 HE3 LYS 38 25.753 -3.441 -29.753
263 HZ1 LYS 38 HZ1 LYS 38 27.021 -5.564 -29.369
264 HZ2 LYS 38 HZ2 LYS 38 25.828 -6.356 -30.269
265 HZ3 LYS 38 HZ3 LYS 38 25.416 -5.562 -28.833
266 H ALA 39 H ALA 39 21.738 -1.113 -32.013
267 HA ALA 39 HA ALA 39 19.992 -3.464 -31.982
268 HB1 ALA 39 HB1 ALA 39 18.080 -2.369 -31.559
269 HB2 ALA 39 HB2 ALA 39 19.136 -1.153 -30.841
270 HB3 ALA 39 HB3 ALA 39 18.563 -0.956 -32.497
271 H GLY 40 H GLY 40 18.238 -2.788 -33.952
272 HA2 GLY 40 HA2 GLY 40 20.033 -2.427 -36.268
273 HA3 GLY 40 HA3 GLY 40 18.585 -3.424 -36.276
274 H TRP 41 H TRP 41 16.515 -2.180 -35.780
275 HA TRP 41 HA TRP 41 15.963 -0.375 -37.757
276 HB2 TRP 41 HB2 TRP 41 14.101 0.421 -36.074
277 HB3 TRP 41 HB3 TRP 41 14.059 -1.204 -36.751
278 HD1 TRP 41 HD1 TRP 41 15.537 0.463 -33.559
279 HE1 TRP 41 HE1 TRP 41 15.172 -1.155 -31.591
280 HE3 TRP 41 HE3 TRP 41 13.317 -3.392 -36.079
281 HZ2 TRP 41 HZ2 TRP 41 14.088 -3.726 -31.163
282 HZ3 TRP 41 HZ3 TRP 41 12.647 -5.395 -34.816
283 HH2 TRP 41 HH2 TRP 41 13.026 -5.557 -32.410
284 H LYS 42 H LYS 42 17.309 0.263 -34.586
285 HA LYS 42 HA LYS 42 18.531 2.654 -35.297
286 HB2 LYS 42 HB2 LYS 42 15.721 2.939 -34.634
287 HB3 LYS 42 HB3 LYS 42 16.734 3.863 -33.534
288 HG2 LYS 42 HG2 LYS 42 17.342 4.099 -36.416
289 HG3 LYS 42 HG3 LYS 42 15.839 4.831 -35.849
290 HD2 LYS 42 HD2 LYS 42 18.216 5.361 -34.190
291 HD3 LYS 42 HD3 LYS 42 18.243 6.071 -35.806
292 HE2 LYS 42 HE2 LYS 42 17.271 7.675 -34.338
293 HE3 LYS 42 HE3 LYS 42 15.973 7.015 -35.331
294 HZ1 LYS 42 HZ1 LYS 42 16.480 5.703 -32.778
295 HZ2 LYS 42 HZ2 LYS 42 15.015 6.000 -33.570
296 HZ3 LYS 42 HZ3 LYS 42 15.782 7.243 -32.715
297 H GLY 43 H GLY 43 20.116 1.508 -34.089
298 HA2 GLY 43 HA2 GLY 43 19.786 1.852 -31.176
299 HA3 GLY 43 HA3 GLY 43 20.474 0.378 -31.841
Start of MODEL 16
1 H1 LYS 1 H LYS 1 4.184 0.637 -0.213
2 HA LYS 1 HA LYS 1 4.494 1.019 -3.087
3 HB2 LYS 1 HB2 LYS 1 6.680 1.608 -1.084
4 HB3 LYS 1 HB3 LYS 1 6.935 1.460 -2.818
5 HG2 LYS 1 HG2 LYS 1 4.950 3.422 -1.748
6 HG3 LYS 1 HG3 LYS 1 6.673 3.805 -1.767
7 HD2 LYS 1 HD2 LYS 1 5.409 2.750 -4.251
8 HD3 LYS 1 HD3 LYS 1 5.119 4.431 -3.797
9 HE2 LYS 1 HE2 LYS 1 7.853 3.189 -4.054
10 HE3 LYS 1 HE3 LYS 1 7.055 4.096 -5.337
11 HZ1 LYS 1 HZ1 LYS 1 8.337 5.696 -4.331
12 HZ2 LYS 1 HZ2 LYS 1 8.131 5.063 -2.776
13 HZ3 LYS 1 HZ3 LYS 1 6.868 5.908 -3.519
14 H TYR 2 H TYR 2 5.499 -0.682 -4.131
15 HA TYR 2 HA TYR 2 6.404 -2.923 -2.459
16 HB2 TYR 2 HB2 TYR 2 4.066 -3.318 -3.203
17 HB3 TYR 2 HB3 TYR 2 4.602 -3.194 -4.875
18 HD1 TYR 2 HD2 TYR 2 5.972 -4.975 -1.884
19 HD2 TYR 2 HD1 TYR 2 4.530 -5.270 -5.876
20 HE1 TYR 2 HE2 TYR 2 6.494 -7.378 -1.888
21 HE2 TYR 2 HE1 TYR 2 5.047 -7.675 -5.891
22 HH TYR 2 HH TYR 2 5.555 -9.462 -3.235
23 H TYR 3 H TYR 3 8.550 -2.465 -2.953
24 HA TYR 3 HA TYR 3 9.550 -2.001 -5.541
25 HB2 TYR 3 HB2 TYR 3 10.771 -2.856 -2.942
26 HB3 TYR 3 HB3 TYR 3 11.740 -2.901 -4.411
27 HD1 TYR 3 HD2 TYR 3 9.347 -0.521 -2.789
28 HD2 TYR 3 HD1 TYR 3 13.089 -1.069 -4.737
29 HE1 TYR 3 HE2 TYR 3 9.820 1.880 -2.543
30 HE2 TYR 3 HE1 TYR 3 13.573 1.330 -4.495
31 HH TYR 3 HH TYR 3 12.897 3.210 -3.067
32 H GLY 4 H GLY 4 9.169 -4.972 -3.654
33 HA2 GLY 4 HA2 GLY 4 8.552 -6.995 -4.871
34 HA3 GLY 4 HA3 GLY 4 9.655 -6.487 -6.141
35 H ASN 5 H ASN 5 10.706 -6.013 -2.907
36 HA ASN 5 HA ASN 5 12.387 -8.426 -3.091
37 HB2 ASN 5 HB2 ASN 5 14.199 -7.161 -2.008
38 HB3 ASN 5 HB3 ASN 5 13.726 -6.424 -3.536
39 HD21 ASN 5 HD21 ASN 5 13.560 -6.165 -0.058
40 HD22 ASN 5 HD22 ASN 5 13.161 -4.485 -0.008
41 H GLY 6 H GLY 6 9.805 -7.900 -1.699
42 HA2 GLY 6 HA2 GLY 6 9.062 -9.019 0.251
43 HA3 GLY 6 HA3 GLY 6 10.674 -8.851 0.931
44 H VAL 7 H VAL 7 9.109 -6.132 -0.560
45 HA VAL 7 HA VAL 7 9.093 -4.763 2.013
46 HB VAL 7 HB VAL 7 8.438 -3.594 -0.690
47 HG11 VAL 7 HG11 VAL 7 8.713 -2.545 2.041
48 HG12 VAL 7 HG12 VAL 7 9.540 -1.612 0.793
49 HG13 VAL 7 HG13 VAL 7 7.807 -1.913 0.666
50 HG21 VAL 7 HG21 VAL 7 11.044 -4.230 0.578
51 HG22 VAL 7 HG22 VAL 7 10.588 -4.213 -1.126
52 HG23 VAL 7 HG23 VAL 7 10.904 -2.697 -0.283
53 H SER 8 H SER 8 7.273 -3.647 2.822
54 HA SER 8 HA SER 8 4.683 -4.173 1.598
55 HB2 SER 8 HB2 SER 8 3.804 -4.965 3.858
56 HB3 SER 8 HB3 SER 8 4.818 -6.106 2.975
57 HG SER 8 HG SER 8 5.340 -4.696 5.320
58 H CYS 9 H CYS 9 3.374 -2.471 1.792
59 HA CYS 9 HA CYS 9 3.172 -0.825 4.068
60 HB2 CYS 9 HB2 CYS 9 5.437 -0.124 3.132
61 HB3 CYS 9 HB3 CYS 9 4.555 0.548 1.765
62 H ASN 10 H ASN 10 1.263 0.200 4.013
63 HA ASN 10 HA ASN 10 0.066 0.902 1.444
64 HB2 ASN 10 HB2 ASN 10 -2.141 -0.111 2.465
65 HB3 ASN 10 HB3 ASN 10 -1.007 -1.138 1.593
66 HD21 ASN 10 HD21 ASN 10 0.379 -2.507 2.784
67 HD22 ASN 10 HD22 ASN 10 -0.024 -2.997 4.392
68 H LYS 11 H LYS 11 -0.831 0.710 4.895
69 HA LYS 11 HA LYS 11 -1.246 3.608 4.898
70 HB2 LYS 11 HB2 LYS 11 -3.284 1.588 5.850
71 HB3 LYS 11 HB3 LYS 11 -3.392 3.324 6.112
72 HG2 LYS 11 HG2 LYS 11 -3.778 3.763 3.858
73 HG3 LYS 11 HG3 LYS 11 -3.169 2.186 3.351
74 HD2 LYS 11 HD2 LYS 11 -5.174 1.328 4.843
75 HD3 LYS 11 HD3 LYS 11 -5.818 2.933 4.488
76 HE2 LYS 11 HE2 LYS 11 -4.786 1.119 2.327
77 HE3 LYS 11 HE3 LYS 11 -6.448 1.021 2.908
78 HZ1 LYS 11 HZ1 LYS 11 -6.547 3.492 2.413
79 HZ2 LYS 11 HZ2 LYS 11 -6.526 2.448 1.082
80 HZ3 LYS 11 HZ3 LYS 11 -5.120 3.275 1.531
81 H LYS 12 H LYS 12 -1.355 0.668 6.904
82 HA LYS 12 HA LYS 12 -0.995 1.808 9.390
83 HB2 LYS 12 HB2 LYS 12 -1.478 -0.548 9.142
84 HB3 LYS 12 HB3 LYS 12 0.058 -0.818 8.330
85 HG2 LYS 12 HG2 LYS 12 1.217 -0.148 10.422
86 HG3 LYS 12 HG3 LYS 12 -0.359 -0.058 11.212
87 HD2 LYS 12 HD2 LYS 12 0.253 -2.562 9.760
88 HD3 LYS 12 HD3 LYS 12 1.176 -2.259 11.234
89 HE2 LYS 12 HE2 LYS 12 -0.770 -2.178 12.557
90 HE3 LYS 12 HE3 LYS 12 -1.819 -2.024 11.149
91 HZ1 LYS 12 HZ1 LYS 12 -2.072 -4.222 11.731
92 HZ2 LYS 12 HZ2 LYS 12 -0.456 -4.417 12.189
93 HZ3 LYS 12 HZ3 LYS 12 -0.865 -4.330 10.550
94 H GLY 13 H GLY 13 1.632 0.371 7.438
95 HA2 GLY 13 HA2 GLY 13 3.388 2.557 7.725
96 HA3 GLY 13 HA3 GLY 13 3.730 1.386 8.989
97 H CYS 14 H CYS 14 5.848 1.383 7.842
98 HA CYS 14 HA CYS 14 5.787 -0.541 5.611
99 HB2 CYS 14 HB2 CYS 14 7.842 1.630 6.072
100 HB3 CYS 14 HB3 CYS 14 7.813 0.493 4.729
101 H SER 15 H SER 15 7.686 -1.939 5.456
102 HA SER 15 HA SER 15 9.397 -2.197 7.763
103 HB2 SER 15 HB2 SER 15 7.451 -4.428 7.128
104 HB3 SER 15 HB3 SER 15 8.689 -4.445 8.384
105 HG SER 15 HG SER 15 6.371 -3.834 8.912
106 H VAL 16 H VAL 16 9.914 -1.700 5.054
107 HA VAL 16 HA VAL 16 10.497 -3.836 3.418
108 HB VAL 16 HB VAL 16 10.784 -1.627 2.568
109 HG11 VAL 16 HG11 VAL 16 13.065 -1.240 4.501
110 HG12 VAL 16 HG12 VAL 16 12.408 -0.053 3.372
111 HG13 VAL 16 HG13 VAL 16 11.438 -0.603 4.739
112 HG21 VAL 16 HG21 VAL 16 13.620 -2.556 2.674
113 HG22 VAL 16 HG22 VAL 16 12.400 -3.563 1.894
114 HG23 VAL 16 HG23 VAL 16 12.695 -1.925 1.311
115 H ASP 17 H ASP 17 11.521 -5.647 3.959
116 HA ASP 17 HA ASP 17 13.473 -5.795 6.028
117 HB2 ASP 17 HB2 ASP 17 11.848 -7.625 5.009
118 HB3 ASP 17 HB3 ASP 17 13.236 -7.948 3.974
119 H TRP 18 H TRP 18 15.104 -4.328 5.442
120 HA TRP 18 HA TRP 18 16.507 -4.574 2.952
121 HB2 TRP 18 HB2 TRP 18 16.977 -2.986 5.468
122 HB3 TRP 18 HB3 TRP 18 18.155 -3.006 4.158
123 HD1 TRP 18 HD1 TRP 18 15.528 -0.895 5.346
124 HE1 TRP 18 HE1 TRP 18 14.504 0.547 3.476
125 HE3 TRP 18 HE3 TRP 18 17.328 -3.431 1.289
126 HZ2 TRP 18 HZ2 TRP 18 14.464 0.602 0.654
127 HZ3 TRP 18 HZ3 TRP 18 16.750 -2.619 -0.961
128 HH2 TRP 18 HH2 TRP 18 15.348 -0.645 -1.270
129 H GLY 19 H GLY 19 16.761 -6.999 3.432
130 HA2 GLY 19 HA2 GLY 19 19.472 -7.369 4.489
131 HA3 GLY 19 HA3 GLY 19 18.184 -8.367 5.146
132 H LYS 20 H LYS 20 16.720 -8.863 2.826
133 HA LYS 20 HA LYS 20 18.586 -10.636 1.414
134 HB2 LYS 20 HB2 LYS 20 15.649 -10.744 1.988
135 HB3 LYS 20 HB3 LYS 20 16.291 -11.624 0.607
136 HG2 LYS 20 HG2 LYS 20 17.531 -11.967 3.302
137 HG3 LYS 20 HG3 LYS 20 16.039 -12.818 2.892
138 HD2 LYS 20 HD2 LYS 20 17.067 -14.015 1.158
139 HD3 LYS 20 HD3 LYS 20 18.447 -12.915 1.099
140 HE2 LYS 20 HE2 LYS 20 17.789 -14.787 3.372
141 HE3 LYS 20 HE3 LYS 20 19.016 -15.068 2.139
142 HZ1 LYS 20 HZ1 LYS 20 20.286 -14.166 3.777
143 HZ2 LYS 20 HZ2 LYS 20 19.040 -13.203 4.394
144 HZ3 LYS 20 HZ3 LYS 20 19.846 -12.741 2.980
145 H ALA 21 H ALA 21 17.899 -7.681 0.929
146 HA ALA 21 HA ALA 21 17.192 -7.963 -1.920
147 HB1 ALA 21 HB1 ALA 21 16.910 -5.314 -0.644
148 HB2 ALA 21 HB2 ALA 21 15.893 -6.114 -1.845
149 HB3 ALA 21 HB3 ALA 21 15.762 -6.557 -0.143
150 H ILE 22 H ILE 22 19.497 -6.835 0.377
151 HA ILE 22 HA ILE 22 20.883 -4.879 -0.977
152 HB ILE 22 HB ILE 22 22.180 -7.083 0.626
153 HG12 ILE 22 HG12 ILE 22 20.378 -6.168 1.943
154 HG13 ILE 22 HG13 ILE 22 21.894 -5.516 2.556
155 HG21 ILE 22 HG21 ILE 22 23.688 -5.056 1.216
156 HG22 ILE 22 HG22 ILE 22 23.913 -5.884 -0.324
157 HG23 ILE 22 HG23 ILE 22 23.030 -4.359 -0.264
158 HD11 ILE 22 HD11 ILE 22 20.177 -3.809 2.467
159 HD12 ILE 22 HD12 ILE 22 21.484 -3.438 1.342
160 HD13 ILE 22 HD13 ILE 22 19.962 -4.094 0.740
161 H GLY 23 H GLY 23 22.593 -4.842 -2.440
162 HA2 GLY 23 HA2 GLY 23 24.098 -5.704 -4.002
163 HA3 GLY 23 HA3 GLY 23 23.524 -7.322 -3.627
164 H ILE 24 H ILE 24 20.830 -7.101 -4.102
165 HA ILE 24 HA ILE 24 20.740 -7.302 -6.931
166 HB ILE 24 HB ILE 24 18.469 -7.182 -4.942
167 HG12 ILE 24 HG12 ILE 24 18.715 -9.760 -5.981
168 HG13 ILE 24 HG13 ILE 24 20.373 -9.248 -5.683
169 HG21 ILE 24 HG21 ILE 24 17.469 -6.681 -6.980
170 HG22 ILE 24 HG22 ILE 24 18.555 -7.735 -7.883
171 HG23 ILE 24 HG23 ILE 24 17.294 -8.432 -6.867
172 HD11 ILE 24 HD11 ILE 24 18.472 -8.699 -3.512
173 HD12 ILE 24 HD12 ILE 24 18.798 -10.401 -3.841
174 HD13 ILE 24 HD13 ILE 24 20.126 -9.308 -3.455
175 H ILE 25 H ILE 25 20.111 -4.729 -4.690
176 HA ILE 25 HA ILE 25 18.459 -3.102 -6.273
177 HB ILE 25 HB ILE 25 20.497 -2.253 -4.210
178 HG12 ILE 25 HG12 ILE 25 17.898 -2.021 -3.194
179 HG13 ILE 25 HG13 ILE 25 17.926 -3.576 -4.018
180 HG21 ILE 25 HG21 ILE 25 18.744 -0.316 -4.049
181 HG22 ILE 25 HG22 ILE 25 20.013 -0.276 -5.273
182 HG23 ILE 25 HG23 ILE 25 18.382 -0.784 -5.710
183 HD11 ILE 25 HD11 ILE 25 20.158 -3.889 -2.693
184 HD12 ILE 25 HD12 ILE 25 19.456 -2.659 -1.642
185 HD13 ILE 25 HD13 ILE 25 18.598 -4.174 -1.921
186 H GLY 26 H GLY 26 21.994 -3.275 -6.001
187 HA2 GLY 26 HA2 GLY 26 22.472 -1.139 -7.835
188 HA3 GLY 26 HA3 GLY 26 23.659 -2.303 -7.263
189 H ASN 27 H ASN 27 22.008 -4.583 -8.177
190 HA ASN 27 HA ASN 27 23.080 -4.761 -10.819
191 HB2 ASN 27 HB2 ASN 27 21.307 -6.590 -9.198
192 HB3 ASN 27 HB3 ASN 27 21.840 -6.979 -10.830
193 HD21 ASN 27 HD21 ASN 27 24.286 -6.694 -11.121
194 HD22 ASN 27 HD22 ASN 27 25.268 -7.373 -9.872
195 H ASN 28 H ASN 28 19.855 -4.320 -9.457
196 HA ASN 28 HA ASN 28 18.312 -4.652 -11.734
197 HB2 ASN 28 HB2 ASN 28 17.987 -2.932 -9.290
198 HB3 ASN 28 HB3 ASN 28 16.798 -2.882 -10.588
199 HD21 ASN 28 HD21 ASN 28 16.860 -3.914 -7.727
200 HD22 ASN 28 HD22 ASN 28 16.184 -5.500 -7.849
201 H ALA 29 H ALA 29 19.842 -1.677 -10.526
202 HA ALA 29 HA ALA 29 18.976 -0.040 -12.667
203 HB1 ALA 29 HB1 ALA 29 20.178 0.412 -10.258
204 HB2 ALA 29 HB2 ALA 29 21.483 0.761 -11.393
205 HB3 ALA 29 HB3 ALA 29 19.948 1.620 -11.523
206 H ALA 30 H ALA 30 21.694 -2.178 -12.233
207 HA ALA 30 HA ALA 30 23.464 -1.241 -14.148
208 HB1 ALA 30 HB1 ALA 30 23.246 -3.509 -12.544
209 HB2 ALA 30 HB2 ALA 30 23.349 -4.121 -14.196
210 HB3 ALA 30 HB3 ALA 30 24.607 -3.056 -13.570
211 H ALA 31 H ALA 31 20.493 -3.053 -14.543
212 HA ALA 31 HA ALA 31 20.785 -3.973 -17.148
213 HB1 ALA 31 HB1 ALA 31 18.825 -4.138 -15.321
214 HB2 ALA 31 HB2 ALA 31 18.114 -2.952 -16.417
215 HB3 ALA 31 HB3 ALA 31 18.600 -4.535 -17.025
216 H ASN 32 H ASN 32 20.226 -0.758 -15.967
217 HA ASN 32 HA ASN 32 19.496 0.249 -18.598
218 HB2 ASN 32 HB2 ASN 32 19.874 1.690 -15.963
219 HB3 ASN 32 HB3 ASN 32 19.288 2.431 -17.449
220 HD21 ASN 32 HD21 ASN 32 18.558 0.243 -14.851
221 HD22 ASN 32 HD22 ASN 32 16.856 0.155 -15.136
222 H LEU 33 H LEU 33 22.248 0.069 -16.481
223 HA LEU 33 HA LEU 33 23.817 2.095 -17.679
224 HB2 LEU 33 HB2 LEU 33 24.732 -0.391 -16.241
225 HB3 LEU 33 HB3 LEU 33 25.701 1.048 -16.551
226 HG LEU 33 HG LEU 33 23.321 0.833 -14.709
227 HD11 LEU 33 HD11 LEU 33 24.814 0.992 -12.940
228 HD12 LEU 33 HD12 LEU 33 26.117 1.599 -13.961
229 HD13 LEU 33 HD13 LEU 33 25.637 -0.095 -14.059
230 HD21 LEU 33 HD21 LEU 33 23.148 2.992 -15.560
231 HD22 LEU 33 HD22 LEU 33 24.896 3.189 -15.686
232 HD23 LEU 33 HD23 LEU 33 24.118 3.204 -14.102
233 H THR 34 H THR 34 23.165 -1.221 -18.505
234 HA THR 34 HA THR 34 25.137 -1.069 -20.687
235 HB THR 34 HB THR 34 25.572 -2.967 -19.268
236 HG1 THR 34 HG1 THR 34 24.222 -3.914 -21.592
237 HG21 THR 34 HG21 THR 34 22.744 -3.061 -19.037
238 HG22 THR 34 HG22 THR 34 23.944 -4.023 -18.176
239 HG23 THR 34 HG23 THR 34 23.281 -4.602 -19.704
240 H THR 35 H THR 35 21.776 -1.545 -19.896
241 HA THR 35 HA THR 35 19.935 -2.018 -21.204
242 HB THR 35 HB THR 35 20.212 0.398 -21.465
243 HG1 THR 35 HG1 THR 35 18.761 0.475 -23.054
244 HG21 THR 35 HG21 THR 35 22.006 -0.406 -23.744
245 HG22 THR 35 HG22 THR 35 22.372 0.654 -22.383
246 HG23 THR 35 HG23 THR 35 21.266 1.191 -23.647
247 H GLY 36 H GLY 36 21.852 -3.949 -21.715
248 HA2 GLY 36 HA2 GLY 36 22.424 -4.203 -24.499
249 HA3 GLY 36 HA3 GLY 36 22.574 -5.468 -23.288
250 H GLY 37 H GLY 37 20.169 -6.013 -22.401
251 HA2 GLY 37 HA2 GLY 37 18.689 -6.769 -24.836
252 HA3 GLY 37 HA3 GLY 37 18.673 -7.669 -23.327
253 H LYS 38 H LYS 38 18.451 -4.216 -23.235
254 HA LYS 38 HA LYS 38 15.699 -4.460 -22.264
255 HB2 LYS 38 HB2 LYS 38 17.669 -3.250 -21.028
256 HB3 LYS 38 HB3 LYS 38 17.294 -1.928 -22.126
257 HG2 LYS 38 HG2 LYS 38 15.107 -3.184 -20.534
258 HG3 LYS 38 HG3 LYS 38 16.200 -2.029 -19.768
259 HD2 LYS 38 HD2 LYS 38 15.605 -0.323 -21.339
260 HD3 LYS 38 HD3 LYS 38 14.684 -1.471 -22.314
261 HE2 LYS 38 HE2 LYS 38 13.183 -0.110 -20.982
262 HE3 LYS 38 HE3 LYS 38 13.126 -1.786 -20.439
263 HZ1 LYS 38 HZ1 LYS 38 13.981 -1.258 -18.448
264 HZ2 LYS 38 HZ2 LYS 38 13.435 0.302 -18.807
265 HZ3 LYS 38 HZ3 LYS 38 15.054 -0.109 -19.074
266 H ALA 39 H ALA 39 14.623 -4.618 -24.253
267 HA ALA 39 HA ALA 39 14.103 -2.070 -25.509
268 HB1 ALA 39 HB1 ALA 39 15.157 -2.339 -27.455
269 HB2 ALA 39 HB2 ALA 39 16.068 -3.623 -26.660
270 HB3 ALA 39 HB3 ALA 39 14.630 -4.016 -27.602
271 H GLY 40 H GLY 40 12.350 -2.277 -27.186
272 HA2 GLY 40 HA2 GLY 40 10.760 -4.287 -27.873
273 HA3 GLY 40 HA3 GLY 40 10.346 -4.138 -26.171
274 H TRP 41 H TRP 41 10.548 -2.266 -29.180
275 HA TRP 41 HA TRP 41 8.130 -0.827 -28.331
276 HB2 TRP 41 HB2 TRP 41 9.060 1.244 -29.363
277 HB3 TRP 41 HB3 TRP 41 9.958 0.705 -27.947
278 HD1 TRP 41 HD1 TRP 41 12.327 -0.656 -28.520
279 HE1 TRP 41 HE1 TRP 41 14.017 -0.207 -30.408
280 HE3 TRP 41 HE3 TRP 41 9.335 2.051 -31.659
281 HZ2 TRP 41 HZ2 TRP 41 14.074 1.121 -32.899
282 HZ3 TRP 41 HZ3 TRP 41 10.284 2.875 -33.774
283 HH2 TRP 41 HH2 TRP 41 12.605 2.419 -34.379
284 H LYS 42 H LYS 42 8.197 -3.069 -29.997
285 HA LYS 42 HA LYS 42 7.485 -3.845 -32.015
286 HB2 LYS 42 HB2 LYS 42 6.338 -1.070 -32.355
287 HB3 LYS 42 HB3 LYS 42 5.795 -2.543 -33.147
288 HG2 LYS 42 HG2 LYS 42 5.252 -3.427 -30.842
289 HG3 LYS 42 HG3 LYS 42 5.518 -1.784 -30.255
290 HD2 LYS 42 HD2 LYS 42 3.579 -2.484 -32.455
291 HD3 LYS 42 HD3 LYS 42 3.126 -2.356 -30.753
292 HE2 LYS 42 HE2 LYS 42 4.463 -0.133 -32.282
293 HE3 LYS 42 HE3 LYS 42 2.713 -0.303 -32.160
294 HZ1 LYS 42 HZ1 LYS 42 3.502 -0.481 -29.588
295 HZ2 LYS 42 HZ2 LYS 42 2.943 0.932 -30.331
296 HZ3 LYS 42 HZ3 LYS 42 4.605 0.643 -30.206
297 H GLY 43 H GLY 43 10.062 -3.293 -32.197
298 HA2 GLY 43 HA2 GLY 43 10.976 -1.353 -33.949
299 HA3 GLY 43 HA3 GLY 43 11.727 -2.927 -33.735
Start of MODEL 17
1 H1 LYS 1 H LYS 1 1.368 -2.973 1.818
2 HA LYS 1 HA LYS 1 0.293 -5.685 1.553
3 HB2 LYS 1 HB2 LYS 1 -0.620 -4.087 -0.236
4 HB3 LYS 1 HB3 LYS 1 1.016 -4.063 -0.881
5 HG2 LYS 1 HG2 LYS 1 -0.074 -6.742 -0.395
6 HG3 LYS 1 HG3 LYS 1 -0.914 -5.805 -1.632
7 HD2 LYS 1 HD2 LYS 1 2.049 -5.812 -1.718
8 HD3 LYS 1 HD3 LYS 1 1.227 -7.308 -2.167
9 HE2 LYS 1 HE2 LYS 1 -0.235 -5.721 -3.637
10 HE3 LYS 1 HE3 LYS 1 1.131 -4.620 -3.468
11 HZ1 LYS 1 HZ1 LYS 1 2.172 -7.109 -4.120
12 HZ2 LYS 1 HZ2 LYS 1 2.125 -5.724 -5.090
13 HZ3 LYS 1 HZ3 LYS 1 0.868 -6.853 -5.167
14 H TYR 2 H TYR 2 1.788 -7.140 0.381
15 HA TYR 2 HA TYR 2 4.566 -6.424 1.006
16 HB2 TYR 2 HB2 TYR 2 3.812 -8.407 2.154
17 HB3 TYR 2 HB3 TYR 2 3.231 -9.112 0.650
18 HD1 TYR 2 HD2 TYR 2 6.223 -8.278 2.619
19 HD2 TYR 2 HD1 TYR 2 4.741 -10.183 -0.885
20 HE1 TYR 2 HE2 TYR 2 8.404 -9.366 2.295
21 HE2 TYR 2 HE1 TYR 2 6.918 -11.277 -1.218
22 HH TYR 2 HH TYR 2 9.395 -11.211 1.189
23 H TYR 3 H TYR 3 5.601 -5.624 -0.703
24 HA TYR 3 HA TYR 3 4.924 -6.435 -3.394
25 HB2 TYR 3 HB2 TYR 3 7.213 -4.648 -2.578
26 HB3 TYR 3 HB3 TYR 3 6.377 -4.701 -4.126
27 HD1 TYR 3 HD2 TYR 3 3.547 -4.712 -3.166
28 HD2 TYR 3 HD1 TYR 3 6.905 -2.421 -1.912
29 HE1 TYR 3 HE2 TYR 3 2.037 -2.922 -2.415
30 HE2 TYR 3 HE1 TYR 3 5.405 -0.625 -1.155
31 HH TYR 3 HH TYR 3 2.983 0.144 -1.800
32 H GLY 4 H GLY 4 7.779 -6.621 -1.277
33 HA2 GLY 4 HA2 GLY 4 8.826 -8.930 -1.378
34 HA3 GLY 4 HA3 GLY 4 8.891 -8.650 -3.111
35 H ASN 5 H ASN 5 9.396 -5.706 -1.837
36 HA ASN 5 HA ASN 5 12.292 -5.978 -2.113
37 HB2 ASN 5 HB2 ASN 5 12.316 -3.545 -2.339
38 HB3 ASN 5 HB3 ASN 5 11.146 -4.251 -3.450
39 HD21 ASN 5 HD21 ASN 5 11.584 -2.402 -0.537
40 HD22 ASN 5 HD22 ASN 5 9.969 -1.794 -0.443
41 H GLY 6 H GLY 6 10.654 -6.731 0.319
42 HA2 GLY 6 HA2 GLY 6 11.454 -6.858 2.532
43 HA3 GLY 6 HA3 GLY 6 12.414 -5.414 2.244
44 H VAL 7 H VAL 7 9.044 -5.549 1.372
45 HA VAL 7 HA VAL 7 8.497 -3.407 3.272
46 HB VAL 7 HB VAL 7 6.620 -4.547 1.203
47 HG11 VAL 7 HG11 VAL 7 6.105 -2.845 3.272
48 HG12 VAL 7 HG12 VAL 7 6.451 -1.723 1.955
49 HG13 VAL 7 HG13 VAL 7 5.177 -2.929 1.775
50 HG21 VAL 7 HG21 VAL 7 8.257 -3.814 -0.206
51 HG22 VAL 7 HG22 VAL 7 7.396 -2.295 0.044
52 HG23 VAL 7 HG23 VAL 7 8.874 -2.629 0.946
53 H SER 8 H SER 8 7.242 -3.595 5.036
54 HA SER 8 HA SER 8 5.876 -6.170 5.476
55 HB2 SER 8 HB2 SER 8 6.442 -5.045 7.995
56 HB3 SER 8 HB3 SER 8 7.188 -6.469 7.269
57 HG SER 8 HG SER 8 8.867 -5.271 6.599
58 H CYS 9 H CYS 9 3.768 -5.787 5.265
59 HA CYS 9 HA CYS 9 2.617 -3.540 6.772
60 HB2 CYS 9 HB2 CYS 9 1.607 -4.420 4.065
61 HB3 CYS 9 HB3 CYS 9 1.102 -3.012 4.993
62 H ASN 10 H ASN 10 1.260 -4.276 8.253
63 HA ASN 10 HA ASN 10 -0.279 -6.719 7.664
64 HB2 ASN 10 HB2 ASN 10 -0.231 -6.790 10.341
65 HB3 ASN 10 HB3 ASN 10 1.015 -7.548 9.354
66 HD21 ASN 10 HD21 ASN 10 0.358 -5.315 11.777
67 HD22 ASN 10 HD22 ASN 10 1.924 -4.593 11.887
68 H LYS 11 H LYS 11 -0.358 -4.304 10.275
69 HA LYS 11 HA LYS 11 -3.047 -3.508 9.426
70 HB2 LYS 11 HB2 LYS 11 -3.696 -3.563 11.907
71 HB3 LYS 11 HB3 LYS 11 -3.624 -5.099 11.053
72 HG2 LYS 11 HG2 LYS 11 -1.539 -5.651 12.054
73 HG3 LYS 11 HG3 LYS 11 -1.365 -4.027 12.724
74 HD2 LYS 11 HD2 LYS 11 -3.817 -5.490 13.478
75 HD3 LYS 11 HD3 LYS 11 -2.304 -6.128 14.124
76 HE2 LYS 11 HE2 LYS 11 -2.851 -4.622 15.760
77 HE3 LYS 11 HE3 LYS 11 -1.866 -3.605 14.709
78 HZ1 LYS 11 HZ1 LYS 11 -4.810 -3.754 14.448
79 HZ2 LYS 11 HZ2 LYS 11 -3.763 -2.586 13.818
80 HZ3 LYS 11 HZ3 LYS 11 -4.055 -2.650 15.483
81 H LYS 12 H LYS 12 -0.285 -2.913 11.552
82 HA LYS 12 HA LYS 12 -0.965 -0.367 12.453
83 HB2 LYS 12 HB2 LYS 12 0.946 -1.787 13.261
84 HB3 LYS 12 HB3 LYS 12 1.830 -1.319 11.814
85 HG2 LYS 12 HG2 LYS 12 1.808 0.992 12.490
86 HG3 LYS 12 HG3 LYS 12 0.792 0.608 13.882
87 HD2 LYS 12 HD2 LYS 12 2.515 -0.390 15.034
88 HD3 LYS 12 HD3 LYS 12 3.398 -0.807 13.564
89 HE2 LYS 12 HE2 LYS 12 3.675 1.747 13.288
90 HE3 LYS 12 HE3 LYS 12 3.241 1.822 14.995
91 HZ1 LYS 12 HZ1 LYS 12 5.738 1.397 13.991
92 HZ2 LYS 12 HZ2 LYS 12 5.243 -0.149 14.465
93 HZ3 LYS 12 HZ3 LYS 12 5.249 1.117 15.586
94 H GLY 13 H GLY 13 0.232 -1.423 9.365
95 HA2 GLY 13 HA2 GLY 13 -0.529 0.454 7.705
96 HA3 GLY 13 HA3 GLY 13 0.748 1.339 8.527
97 H CYS 14 H CYS 14 2.927 0.596 8.322
98 HA CYS 14 HA CYS 14 3.551 -1.521 6.479
99 HB2 CYS 14 HB2 CYS 14 3.465 1.286 5.590
100 HB3 CYS 14 HB3 CYS 14 4.957 0.437 5.197
101 H SER 15 H SER 15 6.066 -1.241 5.904
102 HA SER 15 HA SER 15 7.643 -0.025 7.966
103 HB2 SER 15 HB2 SER 15 7.080 -2.972 8.028
104 HB3 SER 15 HB3 SER 15 8.638 -2.362 8.586
105 HG SER 15 HG SER 15 6.722 -2.566 10.122
106 H VAL 16 H VAL 16 7.558 0.100 5.134
107 HA VAL 16 HA VAL 16 9.381 -1.486 3.774
108 HB VAL 16 HB VAL 16 7.987 0.055 2.564
109 HG11 VAL 16 HG11 VAL 16 9.578 2.360 3.653
110 HG12 VAL 16 HG12 VAL 16 8.065 2.398 2.744
111 HG13 VAL 16 HG13 VAL 16 8.082 1.809 4.407
112 HG21 VAL 16 HG21 VAL 16 10.829 0.994 2.226
113 HG22 VAL 16 HG22 VAL 16 10.241 -0.566 1.649
114 HG23 VAL 16 HG23 VAL 16 9.561 0.927 1.001
115 H ASP 17 H ASP 17 11.411 -1.910 4.326
116 HA ASP 17 HA ASP 17 12.979 -0.209 5.983
117 HB2 ASP 17 HB2 ASP 17 14.533 -1.910 6.008
118 HB3 ASP 17 HB3 ASP 17 13.089 -2.814 5.561
119 H TRP 18 H TRP 18 12.401 -0.333 2.621
120 HA TRP 18 HA TRP 18 13.271 0.768 0.829
121 HB2 TRP 18 HB2 TRP 18 13.863 2.616 3.116
122 HB3 TRP 18 HB3 TRP 18 14.444 3.007 1.500
123 HD1 TRP 18 HD1 TRP 18 11.715 3.897 3.603
124 HE1 TRP 18 HE1 TRP 18 9.617 4.573 2.274
125 HE3 TRP 18 HE3 TRP 18 12.986 1.966 -0.957
126 HZ2 TRP 18 HZ2 TRP 18 8.631 4.320 -0.358
127 HZ3 TRP 18 HZ3 TRP 18 11.409 2.225 -2.828
128 HH2 TRP 18 HH2 TRP 18 9.277 3.378 -2.533
129 H GLY 19 H GLY 19 14.829 -1.348 1.639
130 HA2 GLY 19 HA2 GLY 19 17.547 -0.319 1.110
131 HA3 GLY 19 HA3 GLY 19 17.258 -1.621 2.254
132 H LYS 20 H LYS 20 15.225 -2.914 0.641
133 HA LYS 20 HA LYS 20 16.996 -4.104 -1.383
134 HB2 LYS 20 HB2 LYS 20 14.725 -5.208 0.249
135 HB3 LYS 20 HB3 LYS 20 15.251 -6.009 -1.226
136 HG2 LYS 20 HG2 LYS 20 17.069 -5.391 1.090
137 HG3 LYS 20 HG3 LYS 20 16.238 -6.932 0.861
138 HD2 LYS 20 HD2 LYS 20 17.377 -7.234 -1.278
139 HD3 LYS 20 HD3 LYS 20 18.189 -5.680 -1.074
140 HE2 LYS 20 HE2 LYS 20 18.447 -7.903 0.932
141 HE3 LYS 20 HE3 LYS 20 19.509 -7.777 -0.470
142 HZ1 LYS 20 HZ1 LYS 20 19.785 -5.347 0.429
143 HZ2 LYS 20 HZ2 LYS 20 20.705 -6.617 1.061
144 HZ3 LYS 20 HZ3 LYS 20 19.344 -6.061 1.898
145 H ALA 21 H ALA 21 15.386 -1.681 -1.770
146 HA ALA 21 HA ALA 21 13.656 -2.651 -3.951
147 HB1 ALA 21 HB1 ALA 21 13.097 0.007 -2.777
148 HB2 ALA 21 HB2 ALA 21 11.990 -1.209 -3.415
149 HB3 ALA 21 HB3 ALA 21 12.680 -1.404 -1.804
150 H ILE 22 H ILE 22 15.951 -0.230 -2.855
151 HA ILE 22 HA ILE 22 15.947 1.256 -5.303
152 HB ILE 22 HB ILE 22 17.924 1.231 -3.021
153 HG12 ILE 22 HG12 ILE 22 16.792 3.597 -2.788
154 HG13 ILE 22 HG13 ILE 22 15.480 2.831 -3.678
155 HG21 ILE 22 HG21 ILE 22 17.848 2.743 -5.582
156 HG22 ILE 22 HG22 ILE 22 18.425 3.562 -4.132
157 HG23 ILE 22 HG23 ILE 22 19.226 2.095 -4.693
158 HD11 ILE 22 HD11 ILE 22 15.093 1.274 -1.967
159 HD12 ILE 22 HD12 ILE 22 16.625 1.643 -1.175
160 HD13 ILE 22 HD13 ILE 22 15.316 2.824 -1.156
161 H GLY 23 H GLY 23 17.595 -1.551 -4.119
162 HA2 GLY 23 HA2 GLY 23 19.686 -1.414 -6.131
163 HA3 GLY 23 HA3 GLY 23 19.468 -2.684 -4.935
164 H ILE 24 H ILE 24 16.540 -2.092 -6.390
165 HA ILE 24 HA ILE 24 16.975 -4.281 -8.316
166 HB ILE 24 HB ILE 24 14.395 -3.588 -6.908
167 HG12 ILE 24 HG12 ILE 24 16.323 -5.866 -6.405
168 HG13 ILE 24 HG13 ILE 24 16.077 -4.481 -5.347
169 HG21 ILE 24 HG21 ILE 24 13.519 -5.601 -7.862
170 HG22 ILE 24 HG22 ILE 24 14.206 -4.629 -9.163
171 HG23 ILE 24 HG23 ILE 24 15.092 -6.021 -8.541
172 HD11 ILE 24 HD11 ILE 24 13.700 -5.195 -5.103
173 HD12 ILE 24 HD12 ILE 24 14.116 -6.664 -5.987
174 HD13 ILE 24 HD13 ILE 24 14.885 -6.319 -4.438
175 H ILE 25 H ILE 25 15.486 -1.160 -7.747
176 HA ILE 25 HA ILE 25 13.924 -0.874 -10.010
177 HB ILE 25 HB ILE 25 14.477 1.594 -9.844
178 HG12 ILE 25 HG12 ILE 25 15.903 0.827 -7.305
179 HG13 ILE 25 HG13 ILE 25 16.777 1.056 -8.815
180 HG21 ILE 25 HG21 ILE 25 13.701 0.520 -7.165
181 HG22 ILE 25 HG22 ILE 25 13.035 1.885 -8.059
182 HG23 ILE 25 HG23 ILE 25 12.674 0.236 -8.569
183 HD11 ILE 25 HD11 ILE 25 16.395 2.999 -7.032
184 HD12 ILE 25 HD12 ILE 25 16.540 3.297 -8.764
185 HD13 ILE 25 HD13 ILE 25 14.947 3.224 -8.013
186 H GLY 26 H GLY 26 17.393 -0.810 -9.699
187 HA2 GLY 26 HA2 GLY 26 17.737 0.214 -12.413
188 HA3 GLY 26 HA3 GLY 26 19.018 -0.119 -11.257
189 H ASN 27 H ASN 27 18.290 -2.762 -10.580
190 HA ASN 27 HA ASN 27 19.568 -4.183 -12.655
191 HB2 ASN 27 HB2 ASN 27 19.844 -5.638 -10.981
192 HB3 ASN 27 HB3 ASN 27 18.746 -4.692 -9.980
193 HD21 ASN 27 HD21 ASN 27 16.431 -5.142 -10.244
194 HD22 ASN 27 HD22 ASN 27 15.943 -6.769 -10.563
195 H ASN 28 H ASN 28 16.270 -3.388 -12.073
196 HA ASN 28 HA ASN 28 14.891 -5.435 -13.314
197 HB2 ASN 28 HB2 ASN 28 14.389 -2.505 -12.993
198 HB3 ASN 28 HB3 ASN 28 13.328 -3.435 -14.047
199 HD21 ASN 28 HD21 ASN 28 13.037 -5.779 -12.803
200 HD22 ASN 28 HD22 ASN 28 12.310 -5.570 -11.249
201 H ALA 29 H ALA 29 16.813 -2.890 -14.724
202 HA ALA 29 HA ALA 29 15.942 -3.591 -17.423
203 HB1 ALA 29 HB1 ALA 29 17.211 -1.267 -16.175
204 HB2 ALA 29 HB2 ALA 29 17.868 -1.693 -17.756
205 HB3 ALA 29 HB3 ALA 29 16.145 -1.365 -17.576
206 H ALA 30 H ALA 30 18.468 -4.248 -15.211
207 HA ALA 30 HA ALA 30 20.614 -4.734 -16.954
208 HB1 ALA 30 HB1 ALA 30 19.929 -5.427 -14.178
209 HB2 ALA 30 HB2 ALA 30 21.083 -6.502 -14.967
210 HB3 ALA 30 HB3 ALA 30 21.422 -4.775 -14.853
211 H ALA 31 H ALA 31 17.857 -6.696 -16.035
212 HA ALA 31 HA ALA 31 18.782 -9.172 -17.016
213 HB1 ALA 31 HB1 ALA 31 16.369 -8.128 -15.899
214 HB2 ALA 31 HB2 ALA 31 15.982 -9.089 -17.327
215 HB3 ALA 31 HB3 ALA 31 16.910 -9.803 -16.008
216 H ASN 32 H ASN 32 17.362 -6.397 -18.578
217 HA ASN 32 HA ASN 32 16.966 -7.841 -21.075
218 HB2 ASN 32 HB2 ASN 32 16.270 -5.097 -20.088
219 HB3 ASN 32 HB3 ASN 32 16.304 -5.416 -21.819
220 HD21 ASN 32 HD21 ASN 32 15.097 -6.972 -18.864
221 HD22 ASN 32 HD22 ASN 32 13.550 -7.387 -19.513
222 H LEU 33 H LEU 33 19.042 -5.345 -19.703
223 HA LEU 33 HA LEU 33 20.368 -4.469 -21.962
224 HB2 LEU 33 HB2 LEU 33 21.103 -4.734 -19.093
225 HB3 LEU 33 HB3 LEU 33 22.381 -4.362 -20.248
226 HG LEU 33 HG LEU 33 19.889 -2.715 -19.822
227 HD11 LEU 33 HD11 LEU 33 22.691 -1.954 -19.068
228 HD12 LEU 33 HD12 LEU 33 21.621 -2.794 -17.946
229 HD13 LEU 33 HD13 LEU 33 21.170 -1.210 -18.574
230 HD21 LEU 33 HD21 LEU 33 22.194 -2.552 -21.703
231 HD22 LEU 33 HD22 LEU 33 21.482 -1.059 -21.091
232 HD23 LEU 33 HD23 LEU 33 20.486 -2.212 -21.978
233 H THR 34 H THR 34 20.833 -7.422 -20.119
234 HA THR 34 HA THR 34 23.198 -8.191 -21.581
235 HB THR 34 HB THR 34 22.963 -8.911 -19.266
236 HG1 THR 34 HG1 THR 34 22.715 -11.179 -20.970
237 HG21 THR 34 HG21 THR 34 20.318 -9.302 -19.845
238 HG22 THR 34 HG22 THR 34 21.135 -9.892 -18.397
239 HG23 THR 34 HG23 THR 34 20.929 -10.955 -19.789
240 H THR 35 H THR 35 19.766 -8.730 -21.791
241 HA THR 35 HA THR 35 19.679 -11.046 -23.333
242 HB THR 35 HB THR 35 17.801 -8.703 -23.659
243 HG1 THR 35 HG1 THR 35 16.619 -9.765 -21.947
244 HG21 THR 35 HG21 THR 35 16.729 -11.417 -23.676
245 HG22 THR 35 HG22 THR 35 17.886 -11.121 -24.973
246 HG23 THR 35 HG23 THR 35 16.465 -10.090 -24.807
247 H GLY 36 H GLY 36 19.884 -7.651 -24.387
248 HA2 GLY 36 HA2 GLY 36 21.113 -6.900 -26.252
249 HA3 GLY 36 HA3 GLY 36 21.167 -8.551 -26.853
250 H GLY 37 H GLY 37 18.843 -5.925 -26.215
251 HA2 GLY 37 HA2 GLY 37 17.050 -6.976 -28.248
252 HA3 GLY 37 HA3 GLY 37 16.761 -5.580 -27.220
253 H LYS 38 H LYS 38 17.818 -3.572 -27.763
254 HA LYS 38 HA LYS 38 18.019 -3.243 -30.649
255 HB2 LYS 38 HB2 LYS 38 17.895 -0.854 -30.197
256 HB3 LYS 38 HB3 LYS 38 16.604 -1.700 -29.354
257 HG2 LYS 38 HG2 LYS 38 18.354 -1.692 -27.382
258 HG3 LYS 38 HG3 LYS 38 18.987 -0.302 -28.267
259 HD2 LYS 38 HD2 LYS 38 16.081 -0.571 -27.536
260 HD3 LYS 38 HD3 LYS 38 17.264 0.183 -26.465
261 HE2 LYS 38 HE2 LYS 38 17.137 1.100 -29.291
262 HE3 LYS 38 HE3 LYS 38 15.845 1.595 -28.198
263 HZ1 LYS 38 HZ1 LYS 38 18.384 1.939 -26.980
264 HZ2 LYS 38 HZ2 LYS 38 17.175 3.085 -27.269
265 HZ3 LYS 38 HZ3 LYS 38 18.328 2.755 -28.461
266 H ALA 39 H ALA 39 20.030 -3.224 -27.820
267 HA ALA 39 HA ALA 39 22.282 -3.069 -27.529
268 HB1 ALA 39 HB1 ALA 39 23.691 -3.874 -29.221
269 HB2 ALA 39 HB2 ALA 39 22.157 -4.704 -29.482
270 HB3 ALA 39 HB3 ALA 39 22.605 -3.337 -30.502
271 H GLY 40 H GLY 40 20.851 -0.660 -27.754
272 HA2 GLY 40 HA2 GLY 40 22.743 1.072 -29.215
273 HA3 GLY 40 HA3 GLY 40 21.077 1.499 -28.855
274 H TRP 41 H TRP 41 23.928 0.396 -27.014
275 HA TRP 41 HA TRP 41 23.313 1.502 -24.581
276 HB2 TRP 41 HB2 TRP 41 25.930 1.797 -24.431
277 HB3 TRP 41 HB3 TRP 41 25.208 0.191 -24.501
278 HD1 TRP 41 HD1 TRP 41 26.947 2.741 -26.831
279 HE1 TRP 41 HE1 TRP 41 28.085 1.435 -28.735
280 HE3 TRP 41 HE3 TRP 41 25.282 -1.958 -25.699
281 HZ2 TRP 41 HZ2 TRP 41 28.253 -1.235 -29.637
282 HZ3 TRP 41 HZ3 TRP 41 25.977 -3.833 -27.133
283 HH2 TRP 41 HH2 TRP 41 27.432 -3.477 -29.061
284 H LYS 42 H LYS 42 24.833 3.084 -27.353
285 HA LYS 42 HA LYS 42 23.807 5.610 -26.825
286 HB2 LYS 42 HB2 LYS 42 26.001 6.730 -26.117
287 HB3 LYS 42 HB3 LYS 42 25.102 5.859 -24.882
288 HG2 LYS 42 HG2 LYS 42 26.596 3.925 -25.198
289 HG3 LYS 42 HG3 LYS 42 27.526 4.866 -26.366
290 HD2 LYS 42 HD2 LYS 42 28.719 5.117 -24.377
291 HD3 LYS 42 HD3 LYS 42 27.758 6.595 -24.475
292 HE2 LYS 42 HE2 LYS 42 26.600 4.254 -23.053
293 HE3 LYS 42 HE3 LYS 42 27.890 5.154 -22.257
294 HZ1 LYS 42 HZ1 LYS 42 26.109 7.025 -23.266
295 HZ2 LYS 42 HZ2 LYS 42 26.378 6.629 -21.644
296 HZ3 LYS 42 HZ3 LYS 42 25.166 5.836 -22.519
297 H GLY 43 H GLY 43 23.558 5.666 -29.034
298 HA2 GLY 43 HA2 GLY 43 26.037 6.150 -30.546
299 HA3 GLY 43 HA3 GLY 43 24.843 5.025 -31.174
Start of MODEL 18
1 H1 LYS 1 H LYS 1 2.738 -1.801 7.427
2 HA LYS 1 HA LYS 1 3.958 -1.772 9.782
3 HB2 LYS 1 HB2 LYS 1 4.809 -3.678 7.596
4 HB3 LYS 1 HB3 LYS 1 4.924 -3.957 9.329
5 HG2 LYS 1 HG2 LYS 1 2.346 -3.590 9.279
6 HG3 LYS 1 HG3 LYS 1 2.521 -3.966 7.563
7 HD2 LYS 1 HD2 LYS 1 3.647 -5.727 9.727
8 HD3 LYS 1 HD3 LYS 1 2.002 -5.913 9.114
9 HE2 LYS 1 HE2 LYS 1 2.904 -6.216 6.847
10 HE3 LYS 1 HE3 LYS 1 4.540 -6.071 7.489
11 HZ1 LYS 1 HZ1 LYS 1 4.213 -8.340 7.382
12 HZ2 LYS 1 HZ2 LYS 1 2.594 -8.252 7.864
13 HZ3 LYS 1 HZ3 LYS 1 3.827 -8.010 8.996
14 H TYR 2 H TYR 2 6.112 -1.945 10.610
15 HA TYR 2 HA TYR 2 8.291 -1.121 8.863
16 HB2 TYR 2 HB2 TYR 2 7.424 1.015 9.591
17 HB3 TYR 2 HB3 TYR 2 7.406 0.483 11.269
18 HD1 TYR 2 HD2 TYR 2 9.835 0.799 8.440
19 HD2 TYR 2 HD1 TYR 2 9.132 1.200 12.617
20 HE1 TYR 2 HE2 TYR 2 12.115 1.674 8.735
21 HE2 TYR 2 HE1 TYR 2 11.409 2.077 12.923
22 HH TYR 2 HH TYR 2 13.711 2.180 10.255
23 H TYR 3 H TYR 3 10.083 -2.201 9.353
24 HA TYR 3 HA TYR 3 10.213 -3.566 11.953
25 HB2 TYR 3 HB2 TYR 3 11.240 -4.226 9.224
26 HB3 TYR 3 HB3 TYR 3 12.096 -4.856 10.627
27 HD1 TYR 3 HD2 TYR 3 8.504 -4.475 9.637
28 HD2 TYR 3 HD1 TYR 3 11.563 -7.038 11.111
29 HE1 TYR 3 HE2 TYR 3 6.878 -6.313 9.796
30 HE2 TYR 3 HE1 TYR 3 9.946 -8.884 11.274
31 HH TYR 3 HH TYR 3 6.595 -8.419 11.034
32 H GLY 4 H GLY 4 12.685 -2.520 9.608
33 HA2 GLY 4 HA2 GLY 4 13.832 -0.540 11.259
34 HA3 GLY 4 HA3 GLY 4 14.680 -2.058 11.510
35 H ASN 5 H ASN 5 14.627 -3.108 8.941
36 HA ASN 5 HA ASN 5 16.840 -1.859 7.768
37 HB2 ASN 5 HB2 ASN 5 16.369 -3.342 5.813
38 HB3 ASN 5 HB3 ASN 5 16.398 -4.195 7.353
39 HD21 ASN 5 HD21 ASN 5 14.898 -5.682 7.476
40 HD22 ASN 5 HD22 ASN 5 13.306 -5.590 6.810
41 H GLY 6 H GLY 6 13.459 -1.237 7.463
42 HA2 GLY 6 HA2 GLY 6 13.176 1.142 6.567
43 HA3 GLY 6 HA3 GLY 6 13.951 0.495 5.129
44 H VAL 7 H VAL 7 12.223 -2.011 6.252
45 HA VAL 7 HA VAL 7 10.425 -2.222 4.225
46 HB VAL 7 HB VAL 7 10.156 -3.155 7.077
47 HG11 VAL 7 HG11 VAL 7 8.343 -3.683 4.733
48 HG12 VAL 7 HG12 VAL 7 8.389 -4.701 6.174
49 HG13 VAL 7 HG13 VAL 7 7.915 -3.006 6.304
50 HG21 VAL 7 HG21 VAL 7 11.378 -4.174 4.615
51 HG22 VAL 7 HG22 VAL 7 11.736 -4.551 6.300
52 HG23 VAL 7 HG23 VAL 7 10.393 -5.351 5.484
53 H SER 8 H SER 8 8.454 -1.442 3.690
54 HA SER 8 HA SER 8 6.889 0.074 5.606
55 HB2 SER 8 HB2 SER 8 8.416 1.776 4.719
56 HB3 SER 8 HB3 SER 8 7.944 1.356 3.073
57 HG SER 8 HG SER 8 6.833 3.205 3.976
58 H CYS 9 H CYS 9 4.732 0.472 4.910
59 HA CYS 9 HA CYS 9 3.890 -1.332 2.748
60 HB2 CYS 9 HB2 CYS 9 3.026 -1.708 5.095
61 HB3 CYS 9 HB3 CYS 9 2.160 -0.182 4.941
62 H ASN 10 H ASN 10 2.231 -0.670 1.296
63 HA ASN 10 HA ASN 10 1.846 2.242 1.114
64 HB2 ASN 10 HB2 ASN 10 1.840 1.713 -1.469
65 HB3 ASN 10 HB3 ASN 10 3.356 1.983 -0.614
66 HD21 ASN 10 HD21 ASN 10 1.420 -0.243 -2.347
67 HD22 ASN 10 HD22 ASN 10 2.530 -1.568 -2.329
68 H LYS 11 H LYS 11 0.739 -0.750 -0.489
69 HA LYS 11 HA LYS 11 -2.013 -0.091 0.217
70 HB2 LYS 11 HB2 LYS 11 -0.933 -0.210 -2.575
71 HB3 LYS 11 HB3 LYS 11 -2.587 -0.719 -2.263
72 HG2 LYS 11 HG2 LYS 11 -1.607 1.940 -1.307
73 HG3 LYS 11 HG3 LYS 11 -2.137 1.715 -2.975
74 HD2 LYS 11 HD2 LYS 11 -4.193 2.152 -2.208
75 HD3 LYS 11 HD3 LYS 11 -4.148 0.524 -1.527
76 HE2 LYS 11 HE2 LYS 11 -4.820 2.158 0.153
77 HE3 LYS 11 HE3 LYS 11 -3.272 1.423 0.569
78 HZ1 LYS 11 HZ1 LYS 11 -2.201 3.366 0.361
79 HZ2 LYS 11 HZ2 LYS 11 -3.732 4.055 0.568
80 HZ3 LYS 11 HZ3 LYS 11 -3.097 3.858 -0.988
81 H LYS 12 H LYS 12 -0.536 -2.332 -2.119
82 HA LYS 12 HA LYS 12 -1.481 -4.568 -0.452
83 HB2 LYS 12 HB2 LYS 12 -1.840 -4.091 -3.388
84 HB3 LYS 12 HB3 LYS 12 -1.739 -5.738 -2.781
85 HG2 LYS 12 HG2 LYS 12 -3.976 -5.493 -2.653
86 HG3 LYS 12 HG3 LYS 12 -3.570 -4.781 -1.090
87 HD2 LYS 12 HD2 LYS 12 -3.843 -2.597 -1.886
88 HD3 LYS 12 HD3 LYS 12 -3.745 -3.104 -3.574
89 HE2 LYS 12 HE2 LYS 12 -5.890 -4.487 -2.937
90 HE3 LYS 12 HE3 LYS 12 -6.024 -3.280 -1.659
91 HZ1 LYS 12 HZ1 LYS 12 -5.606 -2.425 -4.444
92 HZ2 LYS 12 HZ2 LYS 12 -6.334 -1.588 -3.168
93 HZ3 LYS 12 HZ3 LYS 12 -7.156 -2.859 -3.923
94 H GLY 13 H GLY 13 1.167 -3.272 -0.712
95 HA2 GLY 13 HA2 GLY 13 2.679 -5.720 -1.202
96 HA3 GLY 13 HA3 GLY 13 3.105 -4.325 -2.181
97 H CYS 14 H CYS 14 2.980 -5.601 1.092
98 HA CYS 14 HA CYS 14 4.782 -3.446 1.967
99 HB2 CYS 14 HB2 CYS 14 3.283 -5.368 3.747
100 HB3 CYS 14 HB3 CYS 14 4.072 -3.863 4.209
101 H SER 15 H SER 15 5.919 -4.611 4.164
102 HA SER 15 HA SER 15 7.646 -5.932 4.836
103 HB2 SER 15 HB2 SER 15 6.747 -7.930 2.756
104 HB3 SER 15 HB3 SER 15 7.649 -8.247 4.238
105 HG SER 15 HG SER 15 5.435 -8.761 4.466
106 H VAL 16 H VAL 16 8.084 -3.973 2.830
107 HA VAL 16 HA VAL 16 10.563 -5.007 1.721
108 HB VAL 16 HB VAL 16 9.168 -5.474 -0.140
109 HG11 VAL 16 HG11 VAL 16 7.959 -2.782 0.410
110 HG12 VAL 16 HG12 VAL 16 7.773 -3.583 -1.151
111 HG13 VAL 16 HG13 VAL 16 7.163 -4.353 0.314
112 HG21 VAL 16 HG21 VAL 16 10.105 -2.811 -1.037
113 HG22 VAL 16 HG22 VAL 16 11.312 -3.905 -0.361
114 HG23 VAL 16 HG23 VAL 16 10.354 -4.402 -1.756
115 H ASP 17 H ASP 17 12.085 -3.578 2.192
116 HA ASP 17 HA ASP 17 11.507 -0.969 3.140
117 HB2 ASP 17 HB2 ASP 17 13.756 -0.805 3.630
118 HB3 ASP 17 HB3 ASP 17 13.566 -2.555 3.570
119 H TRP 18 H TRP 18 12.152 -2.271 0.009
120 HA TRP 18 HA TRP 18 12.237 -1.347 -2.067
121 HB2 TRP 18 HB2 TRP 18 10.783 0.768 -0.513
122 HB3 TRP 18 HB3 TRP 18 11.230 1.059 -2.192
123 HD1 TRP 18 HD1 TRP 18 8.372 -0.030 -0.328
124 HE1 TRP 18 HE1 TRP 18 6.788 -1.492 -1.734
125 HE3 TRP 18 HE3 TRP 18 11.527 -1.164 -4.187
126 HZ2 TRP 18 HZ2 TRP 18 6.866 -2.936 -4.158
127 HZ3 TRP 18 HZ3 TRP 18 10.694 -2.593 -6.010
128 HH2 TRP 18 HH2 TRP 18 8.412 -3.460 -5.993
129 H GLY 19 H GLY 19 14.630 -1.342 -0.874
130 HA2 GLY 19 HA2 GLY 19 15.795 1.186 -1.822
131 HA3 GLY 19 HA3 GLY 19 16.219 0.600 -0.220
132 H LYS 20 H LYS 20 16.577 -2.055 -0.570
133 HA LYS 20 HA LYS 20 19.045 -2.109 -2.083
134 HB2 LYS 20 HB2 LYS 20 17.713 -4.179 -0.329
135 HB3 LYS 20 HB3 LYS 20 19.278 -4.394 -1.100
136 HG2 LYS 20 HG2 LYS 20 18.698 -2.127 0.782
137 HG3 LYS 20 HG3 LYS 20 19.304 -3.695 1.323
138 HD2 LYS 20 HD2 LYS 20 21.357 -3.395 0.321
139 HD3 LYS 20 HD3 LYS 20 20.724 -2.267 -0.880
140 HE2 LYS 20 HE2 LYS 20 22.023 -0.964 0.591
141 HE3 LYS 20 HE3 LYS 20 20.347 -0.657 1.043
142 HZ1 LYS 20 HZ1 LYS 20 22.288 -1.341 2.764
143 HZ2 LYS 20 HZ2 LYS 20 21.590 -2.850 2.454
144 HZ3 LYS 20 HZ3 LYS 20 20.637 -1.583 3.045
145 H ALA 21 H ALA 21 15.799 -3.349 -2.335
146 HA ALA 21 HA ALA 21 16.107 -5.428 -4.130
147 HB1 ALA 21 HB1 ALA 21 13.898 -3.415 -3.812
148 HB2 ALA 21 HB2 ALA 21 13.798 -4.768 -4.940
149 HB3 ALA 21 HB3 ALA 21 13.966 -5.072 -3.211
150 H ILE 22 H ILE 22 15.889 -1.952 -4.783
151 HA ILE 22 HA ILE 22 15.791 -2.028 -7.559
152 HB ILE 22 HB ILE 22 17.206 0.027 -5.856
153 HG12 ILE 22 HG12 ILE 22 14.890 -0.254 -5.154
154 HG13 ILE 22 HG13 ILE 22 15.073 1.275 -6.008
155 HG21 ILE 22 HG21 ILE 22 17.785 0.965 -7.783
156 HG22 ILE 22 HG22 ILE 22 16.889 -0.247 -8.697
157 HG23 ILE 22 HG23 ILE 22 16.072 1.208 -8.126
158 HD11 ILE 22 HD11 ILE 22 14.280 -0.042 -8.071
159 HD12 ILE 22 HD12 ILE 22 13.713 -1.229 -6.897
160 HD13 ILE 22 HD13 ILE 22 13.098 0.423 -6.848
161 H GLY 23 H GLY 23 18.559 -2.247 -5.383
162 HA2 GLY 23 HA2 GLY 23 20.557 -2.059 -7.392
163 HA3 GLY 23 HA3 GLY 23 20.778 -2.706 -5.773
164 H ILE 24 H ILE 24 18.541 -4.660 -6.314
165 HA ILE 24 HA ILE 24 20.236 -6.690 -7.526
166 HB ILE 24 HB ILE 24 17.516 -6.983 -6.245
167 HG12 ILE 24 HG12 ILE 24 20.231 -7.639 -5.087
168 HG13 ILE 24 HG13 ILE 24 19.347 -6.159 -4.731
169 HG21 ILE 24 HG21 ILE 24 18.898 -9.385 -6.087
170 HG22 ILE 24 HG22 ILE 24 17.551 -9.010 -7.160
171 HG23 ILE 24 HG23 ILE 24 19.209 -8.803 -7.722
172 HD11 ILE 24 HD11 ILE 24 17.684 -7.300 -3.562
173 HD12 ILE 24 HD12 ILE 24 18.145 -8.858 -4.248
174 HD13 ILE 24 HD13 ILE 24 19.188 -8.074 -3.063
175 H ILE 25 H ILE 25 17.072 -5.190 -8.048
176 HA ILE 25 HA ILE 25 16.383 -6.763 -10.309
177 HB ILE 25 HB ILE 25 15.376 -4.022 -9.538
178 HG12 ILE 25 HG12 ILE 25 14.155 -6.733 -8.985
179 HG13 ILE 25 HG13 ILE 25 15.081 -5.810 -7.806
180 HG21 ILE 25 HG21 ILE 25 14.738 -4.303 -11.756
181 HG22 ILE 25 HG22 ILE 25 14.482 -6.036 -11.564
182 HG23 ILE 25 HG23 ILE 25 13.341 -4.893 -10.856
183 HD11 ILE 25 HD11 ILE 25 12.423 -5.132 -9.019
184 HD12 ILE 25 HD12 ILE 25 12.818 -5.412 -7.323
185 HD13 ILE 25 HD13 ILE 25 13.397 -3.958 -8.135
186 H GLY 26 H GLY 26 17.708 -3.474 -9.979
187 HA2 GLY 26 HA2 GLY 26 17.855 -2.864 -12.706
188 HA3 GLY 26 HA3 GLY 26 18.867 -2.155 -11.456
189 H ASN 27 H ASN 27 19.807 -4.972 -10.792
190 HA ASN 27 HA ASN 27 22.007 -4.961 -12.689
191 HB2 ASN 27 HB2 ASN 27 21.501 -6.182 -10.015
192 HB3 ASN 27 HB3 ASN 27 22.678 -6.963 -11.067
193 HD21 ASN 27 HD21 ASN 27 21.849 -3.574 -10.424
194 HD22 ASN 27 HD22 ASN 27 23.452 -3.085 -10.002
195 H ASN 28 H ASN 28 19.241 -6.922 -11.839
196 HA ASN 28 HA ASN 28 19.931 -9.307 -13.122
197 HB2 ASN 28 HB2 ASN 28 17.347 -8.002 -12.370
198 HB3 ASN 28 HB3 ASN 28 17.308 -9.417 -13.418
199 HD21 ASN 28 HD21 ASN 28 16.295 -9.127 -10.728
200 HD22 ASN 28 HD22 ASN 28 17.109 -10.309 -9.766
201 H ALA 29 H ALA 29 18.116 -6.510 -14.367
202 HA ALA 29 HA ALA 29 17.906 -7.579 -17.009
203 HB1 ALA 29 HB1 ALA 29 17.412 -4.829 -15.889
204 HB2 ALA 29 HB2 ALA 29 17.140 -5.256 -17.579
205 HB3 ALA 29 HB3 ALA 29 16.219 -6.059 -16.307
206 H ALA 30 H ALA 30 20.112 -5.388 -15.370
207 HA ALA 30 HA ALA 30 21.437 -4.280 -17.542
208 HB1 ALA 30 HB1 ALA 30 21.989 -4.662 -14.703
209 HB2 ALA 30 HB2 ALA 30 23.442 -4.603 -15.702
210 HB3 ALA 30 HB3 ALA 30 22.290 -3.268 -15.741
211 H ALA 31 H ALA 31 21.603 -7.494 -16.236
212 HA ALA 31 HA ALA 31 24.061 -8.381 -17.143
213 HB1 ALA 31 HB1 ALA 31 22.238 -9.599 -15.773
214 HB2 ALA 31 HB2 ALA 31 21.640 -10.130 -17.346
215 HB3 ALA 31 HB3 ALA 31 23.278 -10.543 -16.840
216 H ASN 32 H ASN 32 21.071 -7.895 -18.924
217 HA ASN 32 HA ASN 32 22.148 -9.079 -21.340
218 HB2 ASN 32 HB2 ASN 32 19.517 -7.963 -20.494
219 HB3 ASN 32 HB3 ASN 32 19.889 -7.964 -22.215
220 HD21 ASN 32 HD21 ASN 32 18.401 -9.649 -19.880
221 HD22 ASN 32 HD22 ASN 32 18.510 -11.245 -20.532
222 H LEU 33 H LEU 33 21.813 -5.943 -19.904
223 HA LEU 33 HA LEU 33 22.134 -4.425 -22.298
224 HB2 LEU 33 HB2 LEU 33 22.225 -3.847 -19.377
225 HB3 LEU 33 HB3 LEU 33 22.876 -2.656 -20.500
226 HG LEU 33 HG LEU 33 20.561 -2.166 -19.829
227 HD11 LEU 33 HD11 LEU 33 21.647 -2.150 -22.394
228 HD12 LEU 33 HD12 LEU 33 20.276 -1.209 -21.810
229 HD13 LEU 33 HD13 LEU 33 20.006 -2.767 -22.591
230 HD21 LEU 33 HD21 LEU 33 20.097 -4.787 -19.842
231 HD22 LEU 33 HD22 LEU 33 19.520 -4.408 -21.465
232 HD23 LEU 33 HD23 LEU 33 18.814 -3.598 -20.065
233 H THR 34 H THR 34 24.329 -5.535 -19.753
234 HA THR 34 HA THR 34 26.636 -4.217 -20.700
235 HB THR 34 HB THR 34 26.528 -5.117 -18.432
236 HG1 THR 34 HG1 THR 34 28.619 -5.028 -18.849
237 HG21 THR 34 HG21 THR 34 25.230 -7.176 -19.073
238 HG22 THR 34 HG22 THR 34 26.562 -7.455 -17.951
239 HG23 THR 34 HG23 THR 34 26.745 -7.864 -19.656
240 H THR 35 H THR 35 25.152 -7.290 -21.506
241 HA THR 35 HA THR 35 27.365 -8.303 -22.998
242 HB THR 35 HB THR 35 25.520 -9.829 -23.990
243 HG1 THR 35 HG1 THR 35 23.551 -9.645 -23.154
244 HG21 THR 35 HG21 THR 35 26.196 -9.786 -21.049
245 HG22 THR 35 HG22 THR 35 27.048 -10.648 -22.331
246 HG23 THR 35 HG23 THR 35 25.421 -11.144 -21.865
247 H GLY 36 H GLY 36 24.462 -6.466 -23.788
248 HA2 GLY 36 HA2 GLY 36 24.958 -4.880 -25.714
249 HA3 GLY 36 HA3 GLY 36 25.367 -6.345 -26.594
250 H GLY 37 H GLY 37 22.764 -4.495 -25.142
251 HA2 GLY 37 HA2 GLY 37 20.903 -5.805 -26.990
252 HA3 GLY 37 HA3 GLY 37 20.507 -5.810 -25.278
253 H LYS 38 H LYS 38 20.374 -4.071 -28.192
254 HA LYS 38 HA LYS 38 20.174 -1.429 -27.261
255 HB2 LYS 38 HB2 LYS 38 18.733 -2.609 -29.640
256 HB3 LYS 38 HB3 LYS 38 19.148 -0.919 -29.386
257 HG2 LYS 38 HG2 LYS 38 21.595 -1.882 -29.278
258 HG3 LYS 38 HG3 LYS 38 20.871 -3.197 -30.207
259 HD2 LYS 38 HD2 LYS 38 20.457 -0.334 -30.999
260 HD3 LYS 38 HD3 LYS 38 21.913 -1.209 -31.481
261 HE2 LYS 38 HE2 LYS 38 19.113 -2.188 -32.012
262 HE3 LYS 38 HE3 LYS 38 20.049 -1.233 -33.160
263 HZ1 LYS 38 HZ1 LYS 38 21.390 -2.964 -33.646
264 HZ2 LYS 38 HZ2 LYS 38 20.056 -3.875 -33.145
265 HZ3 LYS 38 HZ3 LYS 38 21.344 -3.607 -32.082
266 H ALA 39 H ALA 39 18.160 -0.103 -27.299
267 HA ALA 39 HA ALA 39 15.661 -1.431 -26.775
268 HB1 ALA 39 HB1 ALA 39 16.382 -1.767 -24.599
269 HB2 ALA 39 HB2 ALA 39 17.263 -0.239 -24.546
270 HB3 ALA 39 HB3 ALA 39 15.501 -0.243 -24.483
271 H GLY 40 H GLY 40 13.947 -0.114 -27.164
272 HA2 GLY 40 HA2 GLY 40 14.499 2.772 -27.447
273 HA3 GLY 40 HA3 GLY 40 13.640 1.885 -28.698
274 H TRP 41 H TRP 41 13.478 2.496 -25.192
275 HA TRP 41 HA TRP 41 10.663 3.175 -25.472
276 HB2 TRP 41 HB2 TRP 41 9.878 1.615 -23.827
277 HB3 TRP 41 HB3 TRP 41 10.776 0.702 -25.037
278 HD1 TRP 41 HD1 TRP 41 13.692 0.911 -24.054
279 HE1 TRP 41 HE1 TRP 41 14.434 -0.131 -21.821
280 HE3 TRP 41 HE3 TRP 41 9.147 0.656 -21.729
281 HZ2 TRP 41 HZ2 TRP 41 13.248 -0.952 -19.394
282 HZ3 TRP 41 HZ3 TRP 41 9.037 -0.271 -19.453
283 HH2 TRP 41 HH2 TRP 41 11.046 -1.058 -18.311
284 H LYS 42 H LYS 42 9.763 3.968 -23.340
285 HA LYS 42 HA LYS 42 11.694 5.784 -22.172
286 HB2 LYS 42 HB2 LYS 42 8.716 5.514 -22.113
287 HB3 LYS 42 HB3 LYS 42 9.511 6.454 -20.857
288 HG2 LYS 42 HG2 LYS 42 9.104 8.105 -22.361
289 HG3 LYS 42 HG3 LYS 42 10.686 7.578 -22.940
290 HD2 LYS 42 HD2 LYS 42 9.354 7.723 -24.869
291 HD3 LYS 42 HD3 LYS 42 9.406 6.000 -24.485
292 HE2 LYS 42 HE2 LYS 42 7.159 6.364 -24.936
293 HE3 LYS 42 HE3 LYS 42 7.228 6.464 -23.177
294 HZ1 LYS 42 HZ1 LYS 42 6.709 8.633 -23.195
295 HZ2 LYS 42 HZ2 LYS 42 6.078 8.302 -24.729
296 HZ3 LYS 42 HZ3 LYS 42 7.626 8.969 -24.577
297 H GLY 43 H GLY 43 12.878 5.209 -20.478
298 HA2 GLY 43 HA2 GLY 43 11.985 3.045 -18.742
299 HA3 GLY 43 HA3 GLY 43 13.575 3.794 -18.741
Start of MODEL 19
1 H1 LYS 1 H LYS 1 8.056 2.592 0.032
2 HA LYS 1 HA LYS 1 5.206 2.485 0.076
3 HB2 LYS 1 HB2 LYS 1 4.724 3.035 -2.200
4 HB3 LYS 1 HB3 LYS 1 5.632 4.378 -1.518
5 HG2 LYS 1 HG2 LYS 1 7.637 3.654 -2.629
6 HG3 LYS 1 HG3 LYS 1 6.831 2.195 -3.210
7 HD2 LYS 1 HD2 LYS 1 6.746 3.600 -5.056
8 HD3 LYS 1 HD3 LYS 1 5.165 3.844 -4.310
9 HE2 LYS 1 HE2 LYS 1 5.750 5.934 -3.469
10 HE3 LYS 1 HE3 LYS 1 7.478 5.612 -3.607
11 HZ1 LYS 1 HZ1 LYS 1 7.484 6.079 -5.829
12 HZ2 LYS 1 HZ2 LYS 1 6.276 7.146 -5.315
13 HZ3 LYS 1 HZ3 LYS 1 5.854 5.682 -6.050
14 H TYR 2 H TYR 2 4.663 1.039 -2.165
15 HA TYR 2 HA TYR 2 6.069 -1.434 -1.597
16 HB2 TYR 2 HB2 TYR 2 3.596 -1.386 -1.788
17 HB3 TYR 2 HB3 TYR 2 3.755 -0.920 -3.478
18 HD1 TYR 2 HD2 TYR 2 5.182 -3.561 -1.238
19 HD2 TYR 2 HD1 TYR 2 3.384 -2.621 -4.978
20 HE1 TYR 2 HE2 TYR 2 5.283 -5.934 -1.877
21 HE2 TYR 2 HE1 TYR 2 3.479 -4.992 -5.626
22 HH TYR 2 HH TYR 2 3.606 -7.191 -4.547
23 H TYR 3 H TYR 3 7.324 -2.580 -3.011
24 HA TYR 3 HA TYR 3 7.989 -1.239 -5.551
25 HB2 TYR 3 HB2 TYR 3 9.901 -2.924 -3.935
26 HB3 TYR 3 HB3 TYR 3 10.273 -1.872 -5.297
27 HD1 TYR 3 HD2 TYR 3 8.674 0.536 -4.465
28 HD2 TYR 3 HD1 TYR 3 11.271 -2.009 -2.255
29 HE1 TYR 3 HE2 TYR 3 9.152 2.382 -2.912
30 HE2 TYR 3 HE1 TYR 3 11.754 -0.170 -0.694
31 HH TYR 3 HH TYR 3 11.159 1.897 -0.043
32 H GLY 4 H GLY 4 7.930 -4.372 -3.868
33 HA2 GLY 4 HA2 GLY 4 6.556 -6.054 -5.200
34 HA3 GLY 4 HA3 GLY 4 7.682 -5.685 -6.498
35 H ASN 5 H ASN 5 9.472 -5.477 -3.781
36 HA ASN 5 HA ASN 5 10.528 -8.171 -4.164
37 HB2 ASN 5 HB2 ASN 5 12.532 -7.406 -3.157
38 HB3 ASN 5 HB3 ASN 5 11.989 -6.080 -4.182
39 HD21 ASN 5 HD21 ASN 5 11.470 -4.158 -3.282
40 HD22 ASN 5 HD22 ASN 5 11.614 -3.810 -1.596
41 H GLY 6 H GLY 6 8.046 -7.356 -2.564
42 HA2 GLY 6 HA2 GLY 6 7.126 -8.766 -0.864
43 HA3 GLY 6 HA3 GLY 6 8.742 -8.962 -0.201
44 H VAL 7 H VAL 7 7.840 -5.783 -1.126
45 HA VAL 7 HA VAL 7 8.082 -4.845 1.568
46 HB VAL 7 HB VAL 7 7.111 -3.259 -0.807
47 HG11 VAL 7 HG11 VAL 7 6.788 -2.110 1.269
48 HG12 VAL 7 HG12 VAL 7 8.428 -2.495 1.794
49 HG13 VAL 7 HG13 VAL 7 8.169 -1.384 0.448
50 HG21 VAL 7 HG21 VAL 7 9.781 -2.668 -0.487
51 HG22 VAL 7 HG22 VAL 7 9.729 -4.418 -0.273
52 HG23 VAL 7 HG23 VAL 7 9.092 -3.691 -1.748
53 H SER 8 H SER 8 6.500 -3.726 2.788
54 HA SER 8 HA SER 8 3.737 -3.781 1.952
55 HB2 SER 8 HB2 SER 8 4.676 -6.044 3.238
56 HB3 SER 8 HB3 SER 8 3.957 -5.108 4.549
57 HG SER 8 HG SER 8 2.578 -6.610 3.197
58 H CYS 9 H CYS 9 2.851 -1.964 2.656
59 HA CYS 9 HA CYS 9 3.162 -1.033 5.341
60 HB2 CYS 9 HB2 CYS 9 5.291 -0.254 4.268
61 HB3 CYS 9 HB3 CYS 9 4.321 0.715 3.164
62 H ASN 10 H ASN 10 1.239 -0.248 5.861
63 HA ASN 10 HA ASN 10 -0.391 0.995 3.745
64 HB2 ASN 10 HB2 ASN 10 -2.255 0.391 5.558
65 HB3 ASN 10 HB3 ASN 10 -1.722 -0.769 4.344
66 HD21 ASN 10 HD21 ASN 10 -2.064 -2.606 5.473
67 HD22 ASN 10 HD22 ASN 10 -1.222 -3.022 6.923
68 H LYS 11 H LYS 11 -0.509 1.008 7.303
69 HA LYS 11 HA LYS 11 -0.152 3.912 7.289
70 HB2 LYS 11 HB2 LYS 11 -2.070 4.048 8.974
71 HB3 LYS 11 HB3 LYS 11 -2.503 3.829 7.283
72 HG2 LYS 11 HG2 LYS 11 -2.933 1.497 7.634
73 HG3 LYS 11 HG3 LYS 11 -2.326 1.592 9.289
74 HD2 LYS 11 HD2 LYS 11 -4.593 3.343 8.430
75 HD3 LYS 11 HD3 LYS 11 -4.894 1.652 8.838
76 HE2 LYS 11 HE2 LYS 11 -3.383 2.380 10.941
77 HE3 LYS 11 HE3 LYS 11 -4.143 3.925 10.568
78 HZ1 LYS 11 HZ1 LYS 11 -5.338 1.459 11.564
79 HZ2 LYS 11 HZ2 LYS 11 -6.262 2.364 10.474
80 HZ3 LYS 11 HZ3 LYS 11 -5.725 3.068 11.916
81 H LYS 12 H LYS 12 -0.421 0.930 9.162
82 HA LYS 12 HA LYS 12 0.507 1.915 11.616
83 HB2 LYS 12 HB2 LYS 12 1.055 -0.867 10.594
84 HB3 LYS 12 HB3 LYS 12 0.819 -0.349 12.258
85 HG2 LYS 12 HG2 LYS 12 -1.256 -0.539 10.090
86 HG3 LYS 12 HG3 LYS 12 -1.139 -1.506 11.563
87 HD2 LYS 12 HD2 LYS 12 -1.670 1.463 11.426
88 HD3 LYS 12 HD3 LYS 12 -2.867 0.210 11.765
89 HE2 LYS 12 HE2 LYS 12 -0.486 0.978 13.445
90 HE3 LYS 12 HE3 LYS 12 -2.191 1.187 13.844
91 HZ1 LYS 12 HZ1 LYS 12 -2.419 -1.240 13.842
92 HZ2 LYS 12 HZ2 LYS 12 -1.303 -0.711 14.997
93 HZ3 LYS 12 HZ3 LYS 12 -0.761 -1.399 13.549
94 H GLY 13 H GLY 13 2.344 0.059 9.174
95 HA2 GLY 13 HA2 GLY 13 4.617 1.771 9.360
96 HA3 GLY 13 HA3 GLY 13 4.857 0.302 10.293
97 H CYS 14 H CYS 14 6.659 0.441 8.506
98 HA CYS 14 HA CYS 14 5.704 -1.043 6.146
99 HB2 CYS 14 HB2 CYS 14 8.299 0.487 6.345
100 HB3 CYS 14 HB3 CYS 14 7.534 -0.154 4.895
101 H SER 15 H SER 15 7.464 -2.497 5.203
102 HA SER 15 HA SER 15 9.334 -3.614 7.095
103 HB2 SER 15 HB2 SER 15 6.789 -4.642 7.204
104 HB3 SER 15 HB3 SER 15 7.581 -5.739 6.073
105 HG SER 15 HG SER 15 8.937 -6.385 7.616
106 H VAL 16 H VAL 16 9.608 -2.378 4.570
107 HA VAL 16 HA VAL 16 9.757 -3.989 2.346
108 HB VAL 16 HB VAL 16 10.222 -1.661 2.114
109 HG11 VAL 16 HG11 VAL 16 12.742 -2.043 3.722
110 HG12 VAL 16 HG12 VAL 16 12.078 -0.528 3.105
111 HG13 VAL 16 HG13 VAL 16 11.238 -1.405 4.385
112 HG21 VAL 16 HG21 VAL 16 12.876 -2.956 1.572
113 HG22 VAL 16 HG22 VAL 16 11.436 -3.364 0.640
114 HG23 VAL 16 HG23 VAL 16 12.046 -1.709 0.641
115 H ASP 17 H ASP 17 10.603 -5.961 2.219
116 HA ASP 17 HA ASP 17 12.734 -6.867 3.881
117 HB2 ASP 17 HB2 ASP 17 10.936 -8.011 1.881
118 HB3 ASP 17 HB3 ASP 17 12.560 -8.690 1.808
119 H TRP 18 H TRP 18 14.440 -5.407 3.471
120 HA TRP 18 HA TRP 18 15.522 -5.082 0.839
121 HB2 TRP 18 HB2 TRP 18 16.463 -4.303 3.592
122 HB3 TRP 18 HB3 TRP 18 17.468 -4.052 2.168
123 HD1 TRP 18 HD1 TRP 18 15.329 -2.116 4.245
124 HE1 TRP 18 HE1 TRP 18 14.248 -0.143 2.994
125 HE3 TRP 18 HE3 TRP 18 16.181 -3.636 -0.561
126 HZ2 TRP 18 HZ2 TRP 18 13.813 0.662 0.324
127 HZ3 TRP 18 HZ3 TRP 18 15.400 -2.208 -2.406
128 HH2 TRP 18 HH2 TRP 18 14.241 -0.104 -1.971
129 H GLY 19 H GLY 19 15.592 -7.506 0.523
130 HA2 GLY 19 HA2 GLY 19 18.303 -8.421 1.186
131 HA3 GLY 19 HA3 GLY 19 16.944 -9.472 1.557
132 H LYS 20 H LYS 20 15.376 -8.928 -0.732
133 HA LYS 20 HA LYS 20 16.903 -10.452 -2.702
134 HB2 LYS 20 HB2 LYS 20 13.952 -9.872 -2.429
135 HB3 LYS 20 HB3 LYS 20 14.648 -10.746 -3.787
136 HG2 LYS 20 HG2 LYS 20 14.964 -11.619 -0.927
137 HG3 LYS 20 HG3 LYS 20 13.655 -12.167 -1.978
138 HD2 LYS 20 HD2 LYS 20 16.491 -12.409 -2.891
139 HD3 LYS 20 HD3 LYS 20 15.836 -13.586 -1.750
140 HE2 LYS 20 HE2 LYS 20 14.363 -12.908 -4.270
141 HE3 LYS 20 HE3 LYS 20 15.689 -14.070 -4.289
142 HZ1 LYS 20 HZ1 LYS 20 14.249 -14.955 -2.222
143 HZ2 LYS 20 HZ2 LYS 20 14.062 -15.516 -3.806
144 HZ3 LYS 20 HZ3 LYS 20 13.018 -14.331 -3.201
145 H ALA 21 H ALA 21 15.453 -7.335 -2.216
146 HA ALA 21 HA ALA 21 15.398 -6.524 -4.943
147 HB1 ALA 21 HB1 ALA 21 15.578 -4.702 -2.556
148 HB2 ALA 21 HB2 ALA 21 14.881 -4.356 -4.139
149 HB3 ALA 21 HB3 ALA 21 14.084 -5.495 -3.055
150 H ILE 22 H ILE 22 17.857 -6.639 -2.503
151 HA ILE 22 HA ILE 22 19.638 -4.706 -3.428
152 HB ILE 22 HB ILE 22 20.376 -7.370 -2.212
153 HG12 ILE 22 HG12 ILE 22 18.747 -6.234 -0.805
154 HG13 ILE 22 HG13 ILE 22 20.338 -6.150 -0.055
155 HG21 ILE 22 HG21 ILE 22 21.841 -4.757 -2.483
156 HG22 ILE 22 HG22 ILE 22 22.324 -6.015 -1.347
157 HG23 ILE 22 HG23 ILE 22 22.324 -6.345 -3.079
158 HD11 ILE 22 HD11 ILE 22 18.585 -4.021 -0.969
159 HD12 ILE 22 HD12 ILE 22 19.911 -3.984 0.193
160 HD13 ILE 22 HD13 ILE 22 20.247 -3.846 -1.532
161 H GLY 23 H GLY 23 18.960 -7.929 -4.609
162 HA2 GLY 23 HA2 GLY 23 21.217 -7.816 -6.466
163 HA3 GLY 23 HA3 GLY 23 20.162 -9.196 -6.198
164 H ILE 24 H ILE 24 18.596 -6.179 -6.599
165 HA ILE 24 HA ILE 24 17.975 -6.865 -9.398
166 HB ILE 24 HB ILE 24 16.103 -5.577 -7.408
167 HG12 ILE 24 HG12 ILE 24 16.024 -8.365 -8.581
168 HG13 ILE 24 HG13 ILE 24 16.565 -7.982 -6.950
169 HG21 ILE 24 HG21 ILE 24 15.621 -4.804 -9.614
170 HG22 ILE 24 HG22 ILE 24 15.745 -6.435 -10.272
171 HG23 ILE 24 HG23 ILE 24 14.412 -6.017 -9.196
172 HD11 ILE 24 HD11 ILE 24 13.921 -8.433 -7.915
173 HD12 ILE 24 HD12 ILE 24 14.480 -8.198 -6.259
174 HD13 ILE 24 HD13 ILE 24 14.033 -6.806 -7.245
175 H ILE 25 H ILE 25 18.557 -4.327 -7.048
176 HA ILE 25 HA ILE 25 18.032 -2.072 -8.576
177 HB ILE 25 HB ILE 25 19.832 -0.959 -7.184
178 HG12 ILE 25 HG12 ILE 25 19.900 -3.366 -5.447
179 HG13 ILE 25 HG13 ILE 25 20.883 -3.419 -6.906
180 HG21 ILE 25 HG21 ILE 25 17.720 -0.682 -6.317
181 HG22 ILE 25 HG22 ILE 25 17.472 -2.412 -6.085
182 HG23 ILE 25 HG23 ILE 25 18.526 -1.518 -4.990
183 HD11 ILE 25 HD11 ILE 25 21.320 -0.916 -5.663
184 HD12 ILE 25 HD12 ILE 25 21.451 -2.172 -4.431
185 HD13 ILE 25 HD13 ILE 25 22.449 -2.253 -5.883
186 H GLY 26 H GLY 26 20.673 -4.324 -8.764
187 HA2 GLY 26 HA2 GLY 26 22.565 -2.741 -10.108
188 HA3 GLY 26 HA3 GLY 26 22.453 -4.493 -10.202
189 H ASN 27 H ASN 27 19.669 -4.307 -11.246
190 HA ASN 27 HA ASN 27 20.411 -3.915 -14.035
191 HB2 ASN 27 HB2 ASN 27 17.944 -5.118 -12.762
192 HB3 ASN 27 HB3 ASN 27 18.209 -5.001 -14.499
193 HD21 ASN 27 HD21 ASN 27 20.766 -5.699 -14.831
194 HD22 ASN 27 HD22 ASN 27 21.042 -7.316 -14.288
195 H ASN 28 H ASN 28 18.010 -2.760 -11.701
196 HA ASN 28 HA ASN 28 16.549 -1.104 -13.410
197 HB2 ASN 28 HB2 ASN 28 17.012 -1.194 -10.460
198 HB3 ASN 28 HB3 ASN 28 16.229 0.229 -11.143
199 HD21 ASN 28 HD21 ASN 28 15.485 -2.359 -9.541
200 HD22 ASN 28 HD22 ASN 28 13.985 -2.815 -10.266
201 H ALA 29 H ALA 29 19.236 -0.234 -11.234
202 HA ALA 29 HA ALA 29 19.438 2.444 -12.060
203 HB1 ALA 29 HB1 ALA 29 20.770 0.735 -10.246
204 HB2 ALA 29 HB2 ALA 29 22.000 1.485 -11.265
205 HB3 ALA 29 HB3 ALA 29 20.866 2.493 -10.365
206 H ALA 30 H ALA 30 20.621 -0.510 -13.452
207 HA ALA 30 HA ALA 30 22.673 0.545 -15.070
208 HB1 ALA 30 HB1 ALA 30 21.347 -1.977 -14.723
209 HB2 ALA 30 HB2 ALA 30 21.564 -1.633 -16.440
210 HB3 ALA 30 HB3 ALA 30 22.957 -1.637 -15.359
211 H ALA 31 H ALA 31 19.205 0.129 -15.602
212 HA ALA 31 HA ALA 31 19.053 0.694 -18.310
213 HB1 ALA 31 HB1 ALA 31 17.230 0.625 -16.072
214 HB2 ALA 31 HB2 ALA 31 16.806 1.907 -17.208
215 HB3 ALA 31 HB3 ALA 31 16.944 0.241 -17.770
216 H ASN 32 H ASN 32 19.458 2.868 -15.589
217 HA ASN 32 HA ASN 32 18.982 5.262 -17.083
218 HB2 ASN 32 HB2 ASN 32 20.058 4.649 -14.350
219 HB3 ASN 32 HB3 ASN 32 20.209 6.275 -15.009
220 HD21 ASN 32 HD21 ASN 32 18.521 4.780 -12.871
221 HD22 ASN 32 HD22 ASN 32 16.939 5.429 -13.121
222 H LEU 33 H LEU 33 21.839 3.436 -16.106
223 HA LEU 33 HA LEU 33 23.821 5.244 -16.829
224 HB2 LEU 33 HB2 LEU 33 23.798 2.235 -16.953
225 HB3 LEU 33 HB3 LEU 33 25.244 3.215 -17.191
226 HG LEU 33 HG LEU 33 23.604 3.126 -14.659
227 HD11 LEU 33 HD11 LEU 33 25.032 1.582 -13.795
228 HD12 LEU 33 HD12 LEU 33 26.376 2.082 -14.821
229 HD13 LEU 33 HD13 LEU 33 25.081 1.087 -15.487
230 HD21 LEU 33 HD21 LEU 33 24.699 5.254 -14.922
231 HD22 LEU 33 HD22 LEU 33 26.221 4.464 -15.333
232 HD23 LEU 33 HD23 LEU 33 25.559 4.310 -13.705
233 H THR 34 H THR 34 21.774 3.255 -18.806
234 HA THR 34 HA THR 34 23.326 3.950 -21.201
235 HB THR 34 HB THR 34 22.881 1.595 -21.072
236 HG1 THR 34 HG1 THR 34 22.666 2.402 -23.159
237 HG21 THR 34 HG21 THR 34 20.995 1.620 -19.536
238 HG22 THR 34 HG22 THR 34 20.579 0.709 -20.988
239 HG23 THR 34 HG23 THR 34 19.972 2.351 -20.772
240 H THR 35 H THR 35 20.291 4.468 -19.594
241 HA THR 35 HA THR 35 18.534 5.852 -20.016
242 HB THR 35 HB THR 35 20.125 7.235 -22.154
243 HG1 THR 35 HG1 THR 35 21.589 7.786 -20.738
244 HG21 THR 35 HG21 THR 35 18.115 8.094 -20.078
245 HG22 THR 35 HG22 THR 35 17.939 8.123 -21.833
246 HG23 THR 35 HG23 THR 35 19.057 9.232 -21.040
247 H GLY 36 H GLY 36 18.437 3.426 -21.317
248 HA2 GLY 36 HA2 GLY 36 17.591 4.015 -24.064
249 HA3 GLY 36 HA3 GLY 36 17.872 2.415 -23.394
250 H GLY 37 H GLY 37 16.142 1.249 -22.866
251 HA2 GLY 37 HA2 GLY 37 13.781 2.410 -21.737
252 HA3 GLY 37 HA3 GLY 37 13.548 1.963 -23.420
253 H LYS 38 H LYS 38 14.415 -0.347 -23.907
254 HA LYS 38 HA LYS 38 13.873 -2.165 -21.677
255 HB2 LYS 38 HB2 LYS 38 12.441 -2.169 -24.333
256 HB3 LYS 38 HB3 LYS 38 12.460 -3.558 -23.255
257 HG2 LYS 38 HG2 LYS 38 11.388 -2.221 -21.512
258 HG3 LYS 38 HG3 LYS 38 11.365 -0.830 -22.598
259 HD2 LYS 38 HD2 LYS 38 9.214 -1.757 -22.764
260 HD3 LYS 38 HD3 LYS 38 10.060 -2.324 -24.206
261 HE2 LYS 38 HE2 LYS 38 8.845 -4.165 -23.271
262 HE3 LYS 38 HE3 LYS 38 10.565 -4.441 -22.997
263 HZ1 LYS 38 HZ1 LYS 38 8.594 -4.508 -21.106
264 HZ2 LYS 38 HZ2 LYS 38 9.350 -3.018 -20.841
265 HZ3 LYS 38 HZ3 LYS 38 10.259 -4.444 -20.811
266 H ALA 39 H ALA 39 14.191 -4.538 -22.566
267 HA ALA 39 HA ALA 39 16.007 -4.942 -24.698
268 HB1 ALA 39 HB1 ALA 39 17.945 -4.403 -23.758
269 HB2 ALA 39 HB2 ALA 39 17.168 -4.111 -22.201
270 HB3 ALA 39 HB3 ALA 39 17.708 -5.735 -22.626
271 H GLY 40 H GLY 40 17.094 -7.207 -24.445
272 HA2 GLY 40 HA2 GLY 40 15.999 -9.119 -22.694
273 HA3 GLY 40 HA3 GLY 40 15.046 -9.103 -24.170
274 H TRP 41 H TRP 41 18.296 -9.571 -22.880
275 HA TRP 41 HA TRP 41 20.167 -10.519 -23.844
276 HB2 TRP 41 HB2 TRP 41 19.667 -12.915 -24.521
277 HB3 TRP 41 HB3 TRP 41 19.152 -12.449 -22.902
278 HD1 TRP 41 HD1 TRP 41 16.467 -12.038 -22.562
279 HE1 TRP 41 HE1 TRP 41 14.463 -13.101 -23.778
280 HE3 TRP 41 HE3 TRP 41 18.880 -13.817 -26.704
281 HZ2 TRP 41 HZ2 TRP 41 13.970 -14.508 -26.175
282 HZ3 TRP 41 HZ3 TRP 41 17.570 -15.010 -28.410
283 HH2 TRP 41 HH2 TRP 41 15.166 -15.348 -28.150
284 H LYS 42 H LYS 42 19.177 -8.673 -25.627
285 HA LYS 42 HA LYS 42 19.142 -8.066 -27.824
286 HB2 LYS 42 HB2 LYS 42 21.012 -10.418 -28.148
287 HB3 LYS 42 HB3 LYS 42 20.881 -9.026 -29.214
288 HG2 LYS 42 HG2 LYS 42 21.521 -7.644 -27.141
289 HG3 LYS 42 HG3 LYS 42 22.050 -9.186 -26.465
290 HD2 LYS 42 HD2 LYS 42 22.963 -8.246 -29.169
291 HD3 LYS 42 HD3 LYS 42 23.793 -7.764 -27.688
292 HE2 LYS 42 HE2 LYS 42 23.237 -10.649 -28.282
293 HE3 LYS 42 HE3 LYS 42 24.641 -9.836 -28.971
294 HZ1 LYS 42 HZ1 LYS 42 24.026 -10.311 -26.115
295 HZ2 LYS 42 HZ2 LYS 42 25.185 -9.182 -26.607
296 HZ3 LYS 42 HZ3 LYS 42 25.381 -10.817 -26.993
297 H GLY 43 H GLY 43 16.855 -9.151 -27.499
298 HA2 GLY 43 HA2 GLY 43 16.276 -11.594 -28.767
299 HA3 GLY 43 HA3 GLY 43 15.125 -10.297 -28.479
Start of MODEL 20
1 H1 LYS 1 H LYS 1 0.222 -0.944 7.443
2 HA LYS 1 HA LYS 1 0.173 -3.371 8.951
3 HB2 LYS 1 HB2 LYS 1 -1.067 -3.221 6.878
4 HB3 LYS 1 HB3 LYS 1 0.402 -2.857 5.982
5 HG2 LYS 1 HG2 LYS 1 1.127 -5.024 6.016
6 HG3 LYS 1 HG3 LYS 1 0.269 -5.404 7.511
7 HD2 LYS 1 HD2 LYS 1 -1.327 -4.728 5.090
8 HD3 LYS 1 HD3 LYS 1 -0.560 -6.315 5.174
9 HE2 LYS 1 HE2 LYS 1 -1.745 -6.891 7.132
10 HE3 LYS 1 HE3 LYS 1 -2.254 -5.225 7.406
11 HZ1 LYS 1 HZ1 LYS 1 -3.505 -7.255 5.858
12 HZ2 LYS 1 HZ2 LYS 1 -3.212 -5.881 4.915
13 HZ3 LYS 1 HZ3 LYS 1 -4.112 -5.751 6.342
14 H TYR 2 H TYR 2 1.876 -4.377 9.769
15 HA TYR 2 HA TYR 2 4.376 -4.433 8.249
16 HB2 TYR 2 HB2 TYR 2 4.758 -2.632 9.790
17 HB3 TYR 2 HB3 TYR 2 4.117 -3.572 11.133
18 HD1 TYR 2 HD2 TYR 2 6.741 -4.048 8.504
19 HD2 TYR 2 HD1 TYR 2 5.708 -4.296 12.624
20 HE1 TYR 2 HE2 TYR 2 9.008 -4.850 9.018
21 HE2 TYR 2 HE1 TYR 2 7.974 -5.097 13.149
22 HH TYR 2 HH TYR 2 9.969 -5.634 12.349
23 H TYR 3 H TYR 3 4.990 -6.468 8.019
24 HA TYR 3 HA TYR 3 3.839 -8.553 9.644
25 HB2 TYR 3 HB2 TYR 3 5.654 -8.504 7.250
26 HB3 TYR 3 HB3 TYR 3 5.400 -9.994 8.151
27 HD1 TYR 3 HD2 TYR 3 3.348 -7.230 6.682
28 HD2 TYR 3 HD1 TYR 3 3.761 -11.409 7.368
29 HE1 TYR 3 HE2 TYR 3 1.280 -7.636 5.415
30 HE2 TYR 3 HE1 TYR 3 1.695 -11.827 6.102
31 HH TYR 3 HH TYR 3 -0.553 -9.822 5.537
32 H GLY 4 H GLY 4 7.238 -8.146 8.669
33 HA2 GLY 4 HA2 GLY 4 8.446 -7.691 11.078
34 HA3 GLY 4 HA3 GLY 4 8.152 -9.424 11.075
35 H ASN 5 H ASN 5 8.637 -10.123 8.487
36 HA ASN 5 HA ASN 5 11.403 -10.380 8.399
37 HB2 ASN 5 HB2 ASN 5 11.038 -11.056 5.993
38 HB3 ASN 5 HB3 ASN 5 10.057 -11.925 7.169
39 HD21 ASN 5 HD21 ASN 5 7.844 -11.487 7.302
40 HD22 ASN 5 HD22 ASN 5 6.996 -10.707 6.015
41 H GLY 6 H GLY 6 9.358 -7.818 7.263
42 HA2 GLY 6 HA2 GLY 6 11.010 -5.762 7.132
43 HA3 GLY 6 HA3 GLY 6 11.511 -6.626 5.687
44 H VAL 7 H VAL 7 8.538 -7.507 5.547
45 HA VAL 7 HA VAL 7 7.672 -5.992 3.476
46 HB VAL 7 HB VAL 7 5.943 -7.144 5.669
47 HG11 VAL 7 HG11 VAL 7 4.738 -5.450 4.375
48 HG12 VAL 7 HG12 VAL 7 5.171 -6.285 2.881
49 HG13 VAL 7 HG13 VAL 7 4.117 -7.070 4.058
50 HG21 VAL 7 HG21 VAL 7 6.702 -9.074 4.833
51 HG22 VAL 7 HG22 VAL 7 5.691 -8.720 3.432
52 HG23 VAL 7 HG23 VAL 7 7.400 -8.287 3.417
53 H SER 8 H SER 8 7.060 -3.957 3.146
54 HA SER 8 HA SER 8 5.522 -2.400 4.896
55 HB2 SER 8 HB2 SER 8 8.414 -2.336 5.372
56 HB3 SER 8 HB3 SER 8 7.711 -0.740 5.109
57 HG SER 8 HG SER 8 6.954 -0.865 7.053
58 H CYS 9 H CYS 9 5.577 -0.013 4.227
59 HA CYS 9 HA CYS 9 6.369 0.302 1.420
60 HB2 CYS 9 HB2 CYS 9 4.132 1.485 1.061
61 HB3 CYS 9 HB3 CYS 9 4.091 -0.272 1.171
62 H ASN 10 H ASN 10 6.240 2.603 0.706
63 HA ASN 10 HA ASN 10 6.343 4.577 2.841
64 HB2 ASN 10 HB2 ASN 10 8.566 5.407 1.702
65 HB3 ASN 10 HB3 ASN 10 8.613 4.152 2.936
66 HD21 ASN 10 HD21 ASN 10 9.441 4.994 -0.207
67 HD22 ASN 10 HD22 ASN 10 9.954 3.439 -0.759
68 H LYS 11 H LYS 11 6.848 3.987 -0.628
69 HA LYS 11 HA LYS 11 4.926 6.009 -1.315
70 HB2 LYS 11 HB2 LYS 11 6.422 7.433 -2.596
71 HB3 LYS 11 HB3 LYS 11 6.934 7.384 -0.914
72 HG2 LYS 11 HG2 LYS 11 8.901 6.430 -1.407
73 HG3 LYS 11 HG3 LYS 11 8.200 5.379 -2.639
74 HD2 LYS 11 HD2 LYS 11 8.174 8.196 -3.390
75 HD3 LYS 11 HD3 LYS 11 9.800 7.572 -3.103
76 HE2 LYS 11 HE2 LYS 11 7.898 5.978 -4.758
77 HE3 LYS 11 HE3 LYS 11 8.683 7.386 -5.471
78 HZ1 LYS 11 HZ1 LYS 11 10.282 5.902 -5.940
79 HZ2 LYS 11 HZ2 LYS 11 9.805 4.819 -4.732
80 HZ3 LYS 11 HZ3 LYS 11 10.761 6.158 -4.338
81 H LYS 12 H LYS 12 5.568 3.124 -1.733
82 HA LYS 12 HA LYS 12 5.281 3.136 -4.657
83 HB2 LYS 12 HB2 LYS 12 7.049 1.295 -3.040
84 HB3 LYS 12 HB3 LYS 12 6.624 1.016 -4.723
85 HG2 LYS 12 HG2 LYS 12 7.568 3.503 -4.938
86 HG3 LYS 12 HG3 LYS 12 8.495 2.968 -3.534
87 HD2 LYS 12 HD2 LYS 12 9.909 2.201 -5.124
88 HD3 LYS 12 HD3 LYS 12 8.803 0.825 -5.127
89 HE2 LYS 12 HE2 LYS 12 9.115 1.423 -7.392
90 HE3 LYS 12 HE3 LYS 12 7.520 2.025 -6.943
91 HZ1 LYS 12 HZ1 LYS 12 8.268 4.205 -6.900
92 HZ2 LYS 12 HZ2 LYS 12 9.068 3.562 -8.244
93 HZ3 LYS 12 HZ3 LYS 12 9.898 3.766 -6.784
94 H GLY 13 H GLY 13 5.366 0.617 -2.135
95 HA2 GLY 13 HA2 GLY 13 2.555 0.196 -2.136
96 HA3 GLY 13 HA3 GLY 13 3.348 -0.965 -3.191
97 H CYS 14 H CYS 14 1.878 -1.555 -0.803
98 HA CYS 14 HA CYS 14 3.881 -2.253 1.188
99 HB2 CYS 14 HB2 CYS 14 0.887 -2.678 1.121
100 HB3 CYS 14 HB3 CYS 14 1.927 -3.118 2.471
101 H SER 15 H SER 15 3.149 -4.602 2.198
102 HA SER 15 HA SER 15 3.343 -6.858 1.970
103 HB2 SER 15 HB2 SER 15 2.427 -6.632 -0.887
104 HB3 SER 15 HB3 SER 15 2.135 -7.933 0.267
105 HG SER 15 HG SER 15 0.424 -6.198 -0.258
106 H VAL 16 H VAL 16 5.519 -5.025 1.208
107 HA VAL 16 HA VAL 16 7.173 -6.990 -0.166
108 HB VAL 16 HB VAL 16 6.590 -5.730 -2.064
109 HG11 VAL 16 HG11 VAL 16 6.858 -3.330 -0.278
110 HG12 VAL 16 HG12 VAL 16 6.840 -3.191 -2.037
111 HG13 VAL 16 HG13 VAL 16 5.451 -3.873 -1.190
112 HG21 VAL 16 HG21 VAL 16 8.980 -4.116 -1.521
113 HG22 VAL 16 HG22 VAL 16 9.171 -5.843 -1.216
114 HG23 VAL 16 HG23 VAL 16 8.664 -5.279 -2.808
115 H ASP 17 H ASP 17 8.847 -7.289 1.135
116 HA ASP 17 HA ASP 17 9.607 -5.442 3.155
117 HB2 ASP 17 HB2 ASP 17 11.633 -7.034 3.331
118 HB3 ASP 17 HB3 ASP 17 10.034 -7.683 3.685
119 H TRP 18 H TRP 18 10.071 -3.497 2.068
120 HA TRP 18 HA TRP 18 12.088 -3.355 0.042
121 HB2 TRP 18 HB2 TRP 18 10.533 -1.330 1.622
122 HB3 TRP 18 HB3 TRP 18 11.905 -0.824 0.640
123 HD1 TRP 18 HD1 TRP 18 8.310 -1.129 0.393
124 HE1 TRP 18 HE1 TRP 18 7.528 -1.243 -2.057
125 HE3 TRP 18 HE3 TRP 18 12.797 -2.126 -1.845
126 HZ2 TRP 18 HZ2 TRP 18 8.663 -1.695 -4.601
127 HZ3 TRP 18 HZ3 TRP 18 12.863 -2.385 -4.291
128 HH2 TRP 18 HH2 TRP 18 10.838 -2.175 -5.639
129 H GLY 19 H GLY 19 13.648 -4.626 1.428
130 HA2 GLY 19 HA2 GLY 19 15.428 -2.716 2.749
131 HA3 GLY 19 HA3 GLY 19 14.897 -4.104 3.688
132 H LYS 20 H LYS 20 14.962 -6.112 1.811
133 HA LYS 20 HA LYS 20 17.827 -6.490 1.545
134 HB2 LYS 20 HB2 LYS 20 16.139 -8.229 2.419
135 HB3 LYS 20 HB3 LYS 20 15.709 -8.467 0.731
136 HG2 LYS 20 HG2 LYS 20 17.269 -10.118 1.052
137 HG3 LYS 20 HG3 LYS 20 18.267 -8.812 0.408
138 HD2 LYS 20 HD2 LYS 20 19.528 -9.453 2.215
139 HD3 LYS 20 HD3 LYS 20 18.531 -8.195 2.950
140 HE2 LYS 20 HE2 LYS 20 17.055 -9.827 3.890
141 HE3 LYS 20 HE3 LYS 20 17.837 -11.128 2.994
142 HZ1 LYS 20 HZ1 LYS 20 18.696 -11.259 5.147
143 HZ2 LYS 20 HZ2 LYS 20 18.901 -9.586 5.282
144 HZ3 LYS 20 HZ3 LYS 20 19.914 -10.483 4.266
145 H ALA 21 H ALA 21 15.095 -5.772 -0.447
146 HA ALA 21 HA ALA 21 16.214 -6.609 -2.932
147 HB1 ALA 21 HB1 ALA 21 14.174 -4.443 -2.801
148 HB2 ALA 21 HB2 ALA 21 14.302 -5.810 -3.908
149 HB3 ALA 21 HB3 ALA 21 13.736 -6.063 -2.257
150 H ILE 22 H ILE 22 16.707 -3.901 -0.902
151 HA ILE 22 HA ILE 22 17.434 -1.969 -2.835
152 HB ILE 22 HB ILE 22 18.553 -2.124 -0.042
153 HG12 ILE 22 HG12 ILE 22 16.167 -2.408 0.177
154 HG13 ILE 22 HG13 ILE 22 16.572 -0.755 0.627
155 HG21 ILE 22 HG21 ILE 22 19.620 -0.382 -1.119
156 HG22 ILE 22 HG22 ILE 22 18.206 0.019 -2.093
157 HG23 ILE 22 HG23 ILE 22 18.243 0.436 -0.380
158 HD11 ILE 22 HD11 ILE 22 14.692 -0.477 -0.668
159 HD12 ILE 22 HD12 ILE 22 15.986 -0.214 -1.837
160 HD13 ILE 22 HD13 ILE 22 15.143 -1.762 -1.787
161 H GLY 23 H GLY 23 19.388 -1.429 -3.730
162 HA2 GLY 23 HA2 GLY 23 21.696 -1.554 -4.103
163 HA3 GLY 23 HA3 GLY 23 21.787 -2.883 -2.957
164 H ILE 24 H ILE 24 19.390 -4.040 -4.542
165 HA ILE 24 HA ILE 24 21.052 -5.268 -6.641
166 HB ILE 24 HB ILE 24 18.651 -6.426 -5.220
167 HG12 ILE 24 HG12 ILE 24 21.544 -7.293 -5.087
168 HG13 ILE 24 HG13 ILE 24 20.782 -6.254 -3.888
169 HG21 ILE 24 HG21 ILE 24 19.886 -8.496 -6.486
170 HG22 ILE 24 HG22 ILE 24 18.476 -7.634 -7.099
171 HG23 ILE 24 HG23 ILE 24 20.090 -7.189 -7.653
172 HD11 ILE 24 HD11 ILE 24 19.920 -9.055 -4.566
173 HD12 ILE 24 HD12 ILE 24 20.881 -8.582 -3.164
174 HD13 ILE 24 HD13 ILE 24 19.218 -8.016 -3.326
175 H ILE 25 H ILE 25 18.056 -3.650 -5.944
176 HA ILE 25 HA ILE 25 16.523 -4.241 -8.163
177 HB ILE 25 HB ILE 25 15.602 -1.892 -7.918
178 HG12 ILE 25 HG12 ILE 25 17.413 -1.807 -5.501
179 HG13 ILE 25 HG13 ILE 25 17.775 -0.973 -7.009
180 HG21 ILE 25 HG21 ILE 25 15.533 -4.116 -6.063
181 HG22 ILE 25 HG22 ILE 25 15.157 -2.584 -5.276
182 HG23 ILE 25 HG23 ILE 25 14.217 -3.113 -6.672
183 HD11 ILE 25 HD11 ILE 25 15.422 0.079 -6.667
184 HD12 ILE 25 HD12 ILE 25 15.665 -0.403 -4.988
185 HD13 ILE 25 HD13 ILE 25 16.808 0.691 -5.766
186 H GLY 26 H GLY 26 19.328 -2.169 -7.902
187 HA2 GLY 26 HA2 GLY 26 18.956 -0.971 -10.503
188 HA3 GLY 26 HA3 GLY 26 20.356 -0.787 -9.458
189 H ASN 27 H ASN 27 20.936 -3.557 -9.137
190 HA ASN 27 HA ASN 27 22.551 -3.980 -11.410
191 HB2 ASN 27 HB2 ASN 27 21.774 -5.772 -9.109
192 HB3 ASN 27 HB3 ASN 27 22.887 -6.283 -10.375
193 HD21 ASN 27 HD21 ASN 27 24.531 -4.339 -10.831
194 HD22 ASN 27 HD22 ASN 27 25.357 -3.809 -9.409
195 H ASN 28 H ASN 28 19.401 -5.217 -10.459
196 HA ASN 28 HA ASN 28 19.120 -7.304 -12.271
197 HB2 ASN 28 HB2 ASN 28 17.240 -5.508 -10.824
198 HB3 ASN 28 HB3 ASN 28 16.588 -6.442 -12.167
199 HD21 ASN 28 HD21 ASN 28 18.974 -7.117 -9.628
200 HD22 ASN 28 HD22 ASN 28 18.209 -8.558 -9.058
201 H ALA 29 H ALA 29 18.144 -3.901 -12.680
202 HA ALA 29 HA ALA 29 17.336 -4.199 -15.379
203 HB1 ALA 29 HB1 ALA 29 17.469 -2.087 -13.436
204 HB2 ALA 29 HB2 ALA 29 18.057 -1.521 -15.000
205 HB3 ALA 29 HB3 ALA 29 16.448 -2.230 -14.867
206 H ALA 30 H ALA 30 20.383 -3.361 -13.845
207 HA ALA 30 HA ALA 30 21.790 -2.325 -15.995
208 HB1 ALA 30 HB1 ALA 30 22.475 -3.613 -13.453
209 HB2 ALA 30 HB2 ALA 30 23.716 -3.744 -14.700
210 HB3 ALA 30 HB3 ALA 30 23.128 -2.157 -14.203
211 H ALA 31 H ALA 31 21.029 -5.665 -15.219
212 HA ALA 31 HA ALA 31 22.783 -6.987 -16.924
213 HB1 ALA 31 HB1 ALA 31 20.422 -7.639 -15.425
214 HB2 ALA 31 HB2 ALA 31 20.388 -8.437 -16.998
215 HB3 ALA 31 HB3 ALA 31 21.760 -8.679 -15.917
216 H ASN 32 H ASN 32 19.759 -5.348 -17.610
217 HA ASN 32 HA ASN 32 19.670 -6.307 -20.340
218 HB2 ASN 32 HB2 ASN 32 17.985 -4.163 -19.031
219 HB3 ASN 32 HB3 ASN 32 17.641 -4.998 -20.543
220 HD21 ASN 32 HD21 ASN 32 17.715 -5.246 -17.079
221 HD22 ASN 32 HD22 ASN 32 16.788 -6.699 -16.961
222 H LEU 33 H LEU 33 20.853 -3.557 -18.597
223 HA LEU 33 HA LEU 33 20.989 -1.733 -20.764
224 HB2 LEU 33 HB2 LEU 33 22.167 -1.915 -18.044
225 HB3 LEU 33 HB3 LEU 33 22.916 -0.808 -19.192
226 HG LEU 33 HG LEU 33 20.579 0.188 -19.486
227 HD11 LEU 33 HD11 LEU 33 20.093 -1.104 -16.816
228 HD12 LEU 33 HD12 LEU 33 19.481 -1.773 -18.329
229 HD13 LEU 33 HD13 LEU 33 18.967 -0.170 -17.802
230 HD21 LEU 33 HD21 LEU 33 21.706 1.746 -18.359
231 HD22 LEU 33 HD22 LEU 33 22.565 0.542 -17.398
232 HD23 LEU 33 HD23 LEU 33 20.963 1.087 -16.901
233 H THR 34 H THR 34 22.976 -4.376 -19.736
234 HA THR 34 HA THR 34 25.131 -3.573 -21.555
235 HB THR 34 HB THR 34 25.752 -4.280 -19.254
236 HG1 THR 34 HG1 THR 34 27.409 -4.609 -20.609
237 HG21 THR 34 HG21 THR 34 23.874 -6.120 -19.337
238 HG22 THR 34 HG22 THR 34 25.346 -6.380 -18.401
239 HG23 THR 34 HG23 THR 34 25.174 -7.112 -19.996
240 H THR 35 H THR 35 22.640 -5.973 -21.092
241 HA THR 35 HA THR 35 23.605 -7.728 -23.160
242 HB THR 35 HB THR 35 20.931 -7.659 -21.747
243 HG1 THR 35 HG1 THR 35 23.185 -9.367 -21.375
244 HG21 THR 35 HG21 THR 35 22.010 -9.336 -23.924
245 HG22 THR 35 HG22 THR 35 20.339 -8.961 -23.503
246 HG23 THR 35 HG23 THR 35 21.217 -10.201 -22.608
247 H GLY 36 H GLY 36 20.896 -5.440 -22.830
248 HA2 GLY 36 HA2 GLY 36 20.238 -5.747 -25.649
249 HA3 GLY 36 HA3 GLY 36 19.363 -4.778 -24.473
250 H GLY 37 H GLY 37 20.931 -2.946 -23.543
251 HA2 GLY 37 HA2 GLY 37 22.048 -0.986 -23.979
252 HA3 GLY 37 HA3 GLY 37 22.826 -1.818 -25.317
253 H LYS 38 H LYS 38 22.094 0.870 -25.433
254 HA LYS 38 HA LYS 38 21.017 2.383 -26.748
255 HB2 LYS 38 HB2 LYS 38 20.714 -0.121 -28.397
256 HB3 LYS 38 HB3 LYS 38 20.136 1.442 -28.957
257 HG2 LYS 38 HG2 LYS 38 22.192 1.441 -29.916
258 HG3 LYS 38 HG3 LYS 38 22.607 2.167 -28.362
259 HD2 LYS 38 HD2 LYS 38 23.662 0.274 -27.606
260 HD3 LYS 38 HD3 LYS 38 22.691 -0.800 -28.616
261 HE2 LYS 38 HE2 LYS 38 24.624 1.123 -29.853
262 HE3 LYS 38 HE3 LYS 38 25.187 -0.415 -29.201
263 HZ1 LYS 38 HZ1 LYS 38 23.995 0.074 -31.679
264 HZ2 LYS 38 HZ2 LYS 38 22.928 -0.891 -30.789
265 HZ3 LYS 38 HZ3 LYS 38 24.518 -1.405 -31.047
266 H ALA 39 H ALA 39 19.512 0.918 -24.655
267 HA ALA 39 HA ALA 39 16.794 0.997 -25.759
268 HB1 ALA 39 HB1 ALA 39 16.366 -0.734 -24.441
269 HB2 ALA 39 HB2 ALA 39 18.056 -0.731 -23.936
270 HB3 ALA 39 HB3 ALA 39 16.860 0.181 -23.017
271 H GLY 40 H GLY 40 15.172 2.267 -24.834
272 HA2 GLY 40 HA2 GLY 40 14.926 3.715 -22.642
273 HA3 GLY 40 HA3 GLY 40 16.179 4.640 -23.456
274 H TRP 41 H TRP 41 15.187 4.251 -26.116
275 HA TRP 41 HA TRP 41 13.525 6.452 -26.389
276 HB2 TRP 41 HB2 TRP 41 13.257 5.820 -28.684
277 HB3 TRP 41 HB3 TRP 41 14.887 5.361 -28.201
278 HD1 TRP 41 HD1 TRP 41 14.653 2.572 -27.055
279 HE1 TRP 41 HE1 TRP 41 13.778 0.574 -28.421
280 HE3 TRP 41 HE3 TRP 41 12.032 5.119 -30.630
281 HZ2 TRP 41 HZ2 TRP 41 12.187 0.135 -30.711
282 HZ3 TRP 41 HZ3 TRP 41 10.862 3.835 -32.373
283 HH2 TRP 41 HH2 TRP 41 10.940 1.395 -32.411
284 H LYS 42 H LYS 42 12.727 3.114 -25.779
285 HA LYS 42 HA LYS 42 9.993 3.859 -25.195
286 HB2 LYS 42 HB2 LYS 42 10.745 2.383 -27.624
287 HB3 LYS 42 HB3 LYS 42 9.484 1.611 -26.671
288 HG2 LYS 42 HG2 LYS 42 9.284 4.511 -27.362
289 HG3 LYS 42 HG3 LYS 42 8.834 3.275 -28.539
290 HD2 LYS 42 HD2 LYS 42 6.811 3.494 -27.544
291 HD3 LYS 42 HD3 LYS 42 7.512 2.348 -26.398
292 HE2 LYS 42 HE2 LYS 42 7.795 3.936 -24.775
293 HE3 LYS 42 HE3 LYS 42 7.969 5.250 -25.938
294 HZ1 LYS 42 HZ1 LYS 42 5.897 5.470 -24.778
295 HZ2 LYS 42 HZ2 LYS 42 5.441 3.891 -25.176
296 HZ3 LYS 42 HZ3 LYS 42 5.572 5.064 -26.388
297 H GLY 43 H GLY 43 12.381 1.259 -25.497
298 HA2 GLY 43 HA2 GLY 43 11.153 -0.676 -23.925
299 HA3 GLY 43 HA3 GLY 43 12.892 -0.487 -24.098