Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
534588 | 2la1 RC | 6915 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 1HT ARG 1 2.853 10.742 3.593
2 H2 ARG 1 2HT ARG 1 1.280 10.589 4.218
3 H3 ARG 1 3HT ARG 1 2.330 11.770 4.838
4 HA ARG 1 HA ARG 1 1.263 13.151 3.471
5 HB2 ARG 1 2HB ARG 1 2.615 13.557 1.651
6 HB3 ARG 1 1HB ARG 1 3.611 12.347 2.449
7 HG2 ARG 1 2HG ARG 1 1.915 10.789 0.923
8 HG3 ARG 1 1HG ARG 1 2.186 12.185 -0.111
9 HD2 ARG 1 2HD ARG 1 4.405 10.663 1.239
10 HD3 ARG 1 1HD ARG 1 3.844 10.292 -0.378
11 HE ARG 1 HE ARG 1 5.473 11.927 -0.899
12 HH11 ARG 1 1HH2 ARG 1 5.283 12.911 2.125
13 HH12 ARG 1 2HH2 ARG 1 4.978 14.588 1.833
14 HH21 ARG 1 1HH1 ARG 1 4.350 14.167 -1.540
15 HH22 ARG 1 2HH1 ARG 1 4.449 15.296 -0.233
16 H ILE 2 H ILE 2 0.535 12.758 0.634
17 HA ILE 2 HA ILE 2 -1.948 11.244 1.123
18 HB ILE 2 HB ILE 2 -0.965 12.811 -1.269
19 HG12 ILE 2 2HG1 ILE 2 -3.263 13.954 -0.474
20 HG13 ILE 2 1HG1 ILE 2 -2.756 13.235 1.057
21 HG21 ILE 2 1HG2 ILE 2 -2.352 11.395 -2.420
22 HG22 ILE 2 2HG2 ILE 2 -3.624 12.386 -1.707
23 HG23 ILE 2 3HG2 ILE 2 -3.174 10.855 -0.956
24 HD11 ILE 2 3HD1 ILE 2 -1.531 15.145 1.287
25 HD12 ILE 2 1HD1 ILE 2 -1.575 15.491 -0.442
26 HD13 ILE 2 2HD1 ILE 2 -0.407 14.334 0.196
27 H CYS 3 H CYS 3 -1.656 9.043 1.037
28 HA CYS 3 HA CYS 3 -0.199 8.094 -1.381
29 HB2 CYS 3 2HB CYS 3 -0.465 6.717 1.307
30 HB3 CYS 3 1HB CYS 3 0.239 5.965 -0.119
31 H TYR 4 H TYR 4 -1.047 5.765 -2.033
32 HA TYR 4 HA TYR 4 -3.928 6.110 -2.409
33 HB2 TYR 4 2HB TYR 4 -1.807 4.510 -3.625
34 HB3 TYR 4 1HB TYR 4 -3.290 3.586 -3.383
35 HD1 TYR 4 1HD TYR 4 -5.495 4.578 -4.218
36 HD2 TYR 4 2HD TYR 4 -1.650 6.134 -5.334
37 HE1 TYR 4 1HE TYR 4 -6.522 5.736 -6.154
38 HE2 TYR 4 2HE TYR 4 -2.678 7.291 -7.269
39 HH TYR 4 HH TYR 4 -6.193 7.119 -7.854
40 H ASN 5 H ASN 5 -5.538 4.958 -1.427
41 HA ASN 5 HA ASN 5 -4.705 3.076 0.740
42 HB2 ASN 5 2HB ASN 5 -5.755 4.990 1.694
43 HB3 ASN 5 1HB ASN 5 -7.040 4.984 0.489
44 HD21 ASN 5 1HD2 ASN 5 -5.793 2.121 2.229
45 HD22 ASN 5 2HD2 ASN 5 -7.246 1.790 3.035
46 H HIS 6 H HIS 6 -5.510 2.723 -2.263
47 HA HIS 6 HA HIS 6 -7.988 1.333 -2.347
48 HB2 HIS 6 2HB HIS 6 -7.343 1.591 -4.490
49 HB3 HIS 6 1HB HIS 6 -5.647 1.653 -4.076
50 HD1 HIS 6 1HD HIS 6 -4.597 -0.849 -3.505
51 HD2 HIS 6 2HD HIS 6 -8.112 -0.751 -5.738
52 HE1 HIS 6 1HE HIS 6 -4.758 -3.079 -4.692
53 H LEU 7 H LEU 7 -8.572 -0.666 -1.738
54 HA LEU 7 HA LEU 7 -6.469 -2.408 -0.531
55 HB2 LEU 7 2HB LEU 7 -9.238 -1.741 0.200
56 HB3 LEU 7 1HB LEU 7 -8.870 -3.465 0.288
57 HG LEU 7 HG LEU 7 -6.938 -3.017 1.714
58 HD11 LEU 7 1HD1 LEU 7 -6.660 -0.623 2.554
59 HD12 LEU 7 2HD1 LEU 7 -7.704 -0.133 1.219
60 HD13 LEU 7 3HD1 LEU 7 -6.158 -0.917 0.889
61 HD21 LEU 7 3HD2 LEU 7 -9.625 -1.921 2.454
62 HD22 LEU 7 1HD2 LEU 7 -8.288 -1.690 3.580
63 HD23 LEU 7 2HD2 LEU 7 -8.770 -3.318 3.106
64 H GLY 8 H GLY 8 -5.803 -3.796 -2.132
65 HA2 GLY 8 2HA GLY 8 -6.000 -5.228 -4.029
66 HA3 GLY 8 1HA GLY 8 -6.997 -6.101 -2.871
67 H THR 9 H THR 9 -9.181 -6.282 -3.289
68 HA THR 9 HA THR 9 -10.128 -5.208 -5.871
69 HB THR 9 HB THR 9 -10.538 -7.594 -5.201
70 HG1 THR 9 1HG THR 9 -12.617 -7.566 -5.965
71 HG21 THR 9 3HG2 THR 9 -12.150 -6.200 -3.064
72 HG22 THR 9 1HG2 THR 9 -10.930 -7.458 -2.866
73 HG23 THR 9 2HG2 THR 9 -12.501 -7.855 -3.562
74 H LYS 10 H LYS 10 -10.492 -4.576 -2.480
75 HA LYS 10 HA LYS 10 -12.998 -3.377 -2.267
76 HB2 LYS 10 2HB LYS 10 -10.340 -2.941 -1.010
77 HB3 LYS 10 1HB LYS 10 -11.485 -1.616 -0.843
78 HG2 LYS 10 2HG LYS 10 -13.124 -3.677 -0.265
79 HG3 LYS 10 1HG LYS 10 -11.594 -4.374 0.269
80 HD2 LYS 10 2HD LYS 10 -11.306 -2.809 1.946
81 HD3 LYS 10 1HD LYS 10 -12.224 -1.568 1.090
82 HE2 LYS 10 2HE LYS 10 -14.020 -2.105 2.334
83 HE3 LYS 10 1HE LYS 10 -14.029 -3.691 1.564
84 HZ1 LYS 10 3HZ LYS 10 -12.242 -4.267 3.270
85 HZ2 LYS 10 1HZ LYS 10 -13.844 -4.157 3.816
86 HZ3 LYS 10 2HZ LYS 10 -12.759 -2.881 4.103
87 HA PRO 11 HA PRO 11 -12.991 0.177 -4.824
88 HB2 PRO 11 2HB PRO 11 -13.885 2.198 -3.167
89 HB3 PRO 11 1HB PRO 11 -14.934 0.951 -3.865
90 HG2 PRO 11 2HG PRO 11 -13.875 1.171 -1.074
91 HG3 PRO 11 1HG PRO 11 -15.397 0.464 -1.646
92 HD2 PRO 11 2HD PRO 11 -13.153 -1.018 -0.910
93 HD3 PRO 11 1HD PRO 11 -14.451 -1.616 -1.962
94 HA PRO 12 HA PRO 12 -8.947 1.737 -3.894
95 HB2 PRO 12 2HB PRO 12 -8.531 2.942 -6.334
96 HB3 PRO 12 1HB PRO 12 -8.342 1.204 -6.041
97 HG2 PRO 12 2HG PRO 12 -10.559 2.647 -7.426
98 HG3 PRO 12 1HG PRO 12 -9.976 0.992 -7.665
99 HD2 PRO 12 2HD PRO 12 -12.287 1.714 -6.227
100 HD3 PRO 12 1HD PRO 12 -11.470 0.138 -6.145
101 H THR 13 H THR 13 -8.591 3.482 -2.654
102 HA THR 13 HA THR 13 -9.434 6.150 -3.654
103 HB THR 13 HB THR 13 -11.221 6.057 -2.225
104 HG1 THR 13 1HG THR 13 -10.360 6.566 0.024
105 HG21 THR 13 3HG2 THR 13 -11.301 4.581 -0.223
106 HG22 THR 13 1HG2 THR 13 -9.647 4.072 -0.561
107 HG23 THR 13 2HG2 THR 13 -10.938 3.686 -1.698
108 H THR 14 H THR 14 -8.110 7.862 -2.797
109 HA THR 14 HA THR 14 -5.491 6.928 -1.866
110 HB THR 14 HB THR 14 -5.059 9.492 -1.793
111 HG1 THR 14 1HG THR 14 -6.939 10.459 -1.962
112 HG21 THR 14 3HG2 THR 14 -4.096 8.235 -3.549
113 HG22 THR 14 1HG2 THR 14 -5.002 9.513 -4.360
114 HG23 THR 14 2HG2 THR 14 -5.668 7.883 -4.268
115 H GLU 15 H GLU 15 -4.492 8.114 0.063
116 HA GLU 15 HA GLU 15 -6.426 8.968 2.119
117 HB2 GLU 15 2HB GLU 15 -6.497 6.547 2.376
118 HB3 GLU 15 1HB GLU 15 -4.736 6.466 2.418
119 HG2 GLU 15 2HG GLU 15 -5.796 6.352 4.685
120 HG3 GLU 15 1HG GLU 15 -4.680 7.710 4.503
121 H THR 16 H THR 16 -5.470 10.617 3.218
122 HA THR 16 HA THR 16 -2.655 11.199 2.794
123 HB THR 16 HB THR 16 -4.003 12.613 5.007
124 HG1 THR 16 1HG THR 16 -5.733 13.170 3.968
125 HG21 THR 16 3HG2 THR 16 -3.343 14.235 2.742
126 HG22 THR 16 1HG2 THR 16 -2.040 13.075 2.997
127 HG23 THR 16 2HG2 THR 16 -2.529 14.154 4.304
128 H CYS 17 H CYS 17 -0.968 10.910 4.215
129 HA CYS 17 HA CYS 17 -1.543 9.686 6.867
130 HB2 CYS 17 2HB CYS 17 -0.995 8.095 4.801
131 HB3 CYS 17 1HB CYS 17 0.654 8.563 5.202
132 H GLN 18 H GLN 18 0.972 9.225 7.759
133 HA GLN 18 HA GLN 18 2.154 11.938 7.755
134 HB2 GLN 18 2HB GLN 18 1.707 10.807 9.924
135 HB3 GLN 18 1HB GLN 18 2.864 9.557 9.478
136 HG2 GLN 18 2HG GLN 18 3.849 11.414 10.889
137 HG3 GLN 18 1HG GLN 18 4.665 11.149 9.355
138 HE21 GLN 18 1HE2 GLN 18 4.175 12.685 7.566
139 HE22 GLN 18 2HE2 GLN 18 3.573 14.234 7.904
140 H GLU 19 H GLU 19 3.139 8.556 7.253
141 HA GLU 19 HA GLU 19 5.875 9.203 6.710
142 HB2 GLU 19 2HB GLU 19 4.811 6.854 5.265
143 HB3 GLU 19 1HB GLU 19 6.211 6.983 6.318
144 HG2 GLU 19 2HG GLU 19 4.270 7.364 8.149
145 HG3 GLU 19 1HG GLU 19 3.394 6.342 7.009
146 H ASP 20 H ASP 20 6.807 10.039 4.944
147 HA ASP 20 HA ASP 20 5.175 11.018 2.779
148 HB2 ASP 20 2HB ASP 20 7.808 10.968 1.792
149 HB3 ASP 20 1HB ASP 20 6.969 12.346 2.484
150 H SER 21 H SER 21 6.422 7.977 3.472
151 HA SER 21 HA SER 21 6.767 7.211 0.673
152 HB2 SER 21 2HB SER 21 6.663 4.908 2.303
153 HB3 SER 21 1HB SER 21 8.099 5.667 1.631
154 HG SER 21 HG SER 21 8.268 5.607 3.870
155 H CYS 22 H CYS 22 5.550 5.003 0.144
156 HA CYS 22 HA CYS 22 2.812 4.968 1.276
157 HB2 CYS 22 2HB CYS 22 3.256 5.000 -1.718
158 HB3 CYS 22 1HB CYS 22 1.720 5.055 -0.863
159 H TYR 23 H TYR 23 2.520 2.820 1.836
160 HA TYR 23 HA TYR 23 4.166 0.884 0.317
161 HB2 TYR 23 2HB TYR 23 4.303 -0.472 2.148
162 HB3 TYR 23 1HB TYR 23 4.141 1.076 2.943
163 HD1 TYR 23 1HD TYR 23 1.162 1.551 2.616
164 HD2 TYR 23 2HD TYR 23 3.387 -1.973 3.637
165 HE1 TYR 23 1HE TYR 23 -0.799 0.651 3.863
166 HE2 TYR 23 2HE TYR 23 1.436 -2.861 4.873
167 HH TYR 23 HH TYR 23 -1.185 -2.455 4.696
168 H LYS 24 H LYS 24 3.394 -0.609 -0.895
169 HA LYS 24 HA LYS 24 0.511 -1.281 -0.845
170 HB2 LYS 24 2HB LYS 24 0.449 0.288 -2.560
171 HB3 LYS 24 1HB LYS 24 2.073 -0.086 -3.106
172 HG2 LYS 24 2HG LYS 24 0.840 -2.466 -3.577
173 HG3 LYS 24 1HG LYS 24 -0.503 -1.345 -3.813
174 HD2 LYS 24 2HD LYS 24 1.981 -0.382 -5.000
175 HD3 LYS 24 1HD LYS 24 1.461 -1.923 -5.681
176 HE2 LYS 24 2HE LYS 24 -0.826 -0.206 -5.362
177 HE3 LYS 24 1HE LYS 24 0.428 0.655 -6.255
178 HZ1 LYS 24 3HZ LYS 24 -0.633 -2.042 -6.904
179 HZ2 LYS 24 1HZ LYS 24 0.606 -1.248 -7.747
180 HZ3 LYS 24 2HZ LYS 24 -0.966 -0.607 -7.750
181 H ASN 25 H ASN 25 0.695 -3.325 -0.273
182 HA ASN 25 HA ASN 25 2.680 -5.025 -1.723
183 HB2 ASN 25 2HB ASN 25 2.559 -6.319 0.573
184 HB3 ASN 25 1HB ASN 25 3.572 -4.890 0.426
185 HD21 ASN 25 1HD2 ASN 25 2.341 -2.747 0.948
186 HD22 ASN 25 2HD2 ASN 25 1.283 -2.793 2.269
187 H ILE 26 H ILE 26 2.080 -7.240 -2.011
188 HA ILE 26 HA ILE 26 -0.803 -7.629 -2.399
189 HB ILE 26 HB ILE 26 -0.178 -9.633 -3.565
190 HG12 ILE 26 2HG1 ILE 26 2.426 -10.163 -3.461
191 HG13 ILE 26 1HG1 ILE 26 2.295 -9.368 -1.891
192 HG21 ILE 26 1HG2 ILE 26 0.431 -7.430 -4.635
193 HG22 ILE 26 2HG2 ILE 26 1.409 -8.789 -5.188
194 HG23 ILE 26 3HG2 ILE 26 2.069 -7.648 -4.018
195 HD11 ILE 26 3HD1 ILE 26 1.844 -11.997 -2.197
196 HD12 ILE 26 1HD1 ILE 26 0.221 -11.404 -2.550
197 HD13 ILE 26 2HD1 ILE 26 0.979 -11.030 -1.003
198 H TRP 27 H TRP 27 1.672 -8.539 -0.116
199 HA TRP 27 HA TRP 27 0.207 -10.753 1.071
200 HB2 TRP 27 2HB TRP 27 2.253 -9.100 2.522
201 HB3 TRP 27 1HB TRP 27 1.933 -10.828 2.668
202 HD1 TRP 27 HD TRP 27 4.216 -8.459 1.040
203 HE1 TRP 27 1HE TRP 27 5.619 -9.632 -0.776
204 HE3 TRP 27 3HE TRP 27 1.636 -12.849 0.632
205 HZ2 TRP 27 2HZ TRP 27 5.640 -12.103 -2.215
206 HZ3 TRP 27 3HZ TRP 27 2.369 -14.594 -0.968
207 HH2 TRP 27 HH TRP 27 4.366 -14.227 -2.392
208 H THR 28 H THR 28 -1.426 -10.610 2.564
209 HA THR 28 HA THR 28 -1.591 -8.313 4.362
210 HB THR 28 HB THR 28 -2.614 -7.581 2.144
211 HG1 THR 28 1HG THR 28 -4.697 -7.065 3.490
212 HG21 THR 28 3HG2 THR 28 -4.399 -8.675 1.264
213 HG22 THR 28 1HG2 THR 28 -5.124 -8.957 2.846
214 HG23 THR 28 2HG2 THR 28 -3.851 -10.026 2.257
215 H PHE 29 H PHE 29 -4.502 -8.762 4.766
216 HA PHE 29 HA PHE 29 -4.280 -11.420 6.114
217 HB2 PHE 29 2HB PHE 29 -5.145 -8.810 7.043
218 HB3 PHE 29 1HB PHE 29 -6.416 -10.012 7.266
219 HD1 PHE 29 1HD PHE 29 -2.725 -10.534 7.269
220 HD2 PHE 29 2HD PHE 29 -6.336 -10.461 9.592
221 HE1 PHE 29 1HE PHE 29 -1.496 -11.477 9.207
222 HE2 PHE 29 2HE PHE 29 -5.108 -11.405 11.530
223 HZ PHE 29 HZ PHE 29 -2.689 -11.913 11.337
224 H ASP 30 H ASP 30 -7.172 -9.443 5.515
225 HA ASP 30 HA ASP 30 -8.500 -11.829 4.417
226 HB2 ASP 30 2HB ASP 30 -10.516 -10.315 4.373
227 HB3 ASP 30 1HB ASP 30 -9.791 -10.505 5.969
228 H ASN 31 H ASN 31 -7.711 -8.524 3.297
229 HA ASN 31 HA ASN 31 -8.692 -9.121 0.605
230 HB2 ASN 31 2HB ASN 31 -8.219 -6.789 2.045
231 HB3 ASN 31 1HB ASN 31 -6.935 -6.795 0.836
232 HD21 ASN 31 1HD2 ASN 31 -10.359 -7.939 0.698
233 HD22 ASN 31 2HD2 ASN 31 -10.765 -7.016 -0.667
234 H ILE 32 H ILE 32 -6.462 -7.678 -0.726
235 HA ILE 32 HA ILE 32 -4.307 -9.725 -0.463
236 HB ILE 32 HB ILE 32 -5.064 -8.670 -3.168
237 HG12 ILE 32 2HG1 ILE 32 -7.184 -9.475 -2.216
238 HG13 ILE 32 1HG1 ILE 32 -6.600 -10.610 -3.434
239 HG21 ILE 32 1HG2 ILE 32 -4.256 -10.994 -3.766
240 HG22 ILE 32 2HG2 ILE 32 -3.831 -11.207 -2.067
241 HG23 ILE 32 3HG2 ILE 32 -3.034 -9.960 -3.025
242 HD11 ILE 32 3HD1 ILE 32 -6.477 -12.263 -1.913
243 HD12 ILE 32 1HD1 ILE 32 -7.243 -11.183 -0.748
244 HD13 ILE 32 2HD1 ILE 32 -5.484 -11.266 -0.851
245 H ILE 33 H ILE 33 -4.933 -6.820 -2.469
246 HA ILE 33 HA ILE 33 -2.173 -5.910 -1.875
247 HB ILE 33 HB ILE 33 -3.984 -4.291 -3.582
248 HG12 ILE 33 2HG1 ILE 33 -4.635 -6.495 -4.276
249 HG13 ILE 33 1HG1 ILE 33 -3.557 -5.841 -5.508
250 HG21 ILE 33 1HG2 ILE 33 -1.106 -4.943 -3.332
251 HG22 ILE 33 2HG2 ILE 33 -1.884 -3.423 -3.771
252 HG23 ILE 33 3HG2 ILE 33 -1.694 -4.696 -4.976
253 HD11 ILE 33 3HD1 ILE 33 -2.541 -7.888 -5.234
254 HD12 ILE 33 1HD1 ILE 33 -3.110 -8.063 -3.573
255 HD13 ILE 33 2HD1 ILE 33 -1.729 -7.025 -3.929
256 H ARG 34 H ARG 34 -1.745 -3.954 -0.835
257 HA ARG 34 HA ARG 34 -4.062 -2.311 -0.008
258 HB2 ARG 34 2HB ARG 34 -3.536 -4.095 1.773
259 HB3 ARG 34 1HB ARG 34 -2.095 -3.126 2.104
260 HG2 ARG 34 2HG ARG 34 -3.316 -1.306 2.837
261 HG3 ARG 34 1HG ARG 34 -4.723 -1.730 1.878
262 HD2 ARG 34 2HD ARG 34 -5.316 -3.514 3.379
263 HD3 ARG 34 1HD ARG 34 -3.790 -3.361 4.248
264 HE ARG 34 HE ARG 34 -5.705 -1.077 4.247
265 HH11 ARG 34 1HH1 ARG 34 -6.081 -3.600 6.071
266 HH12 ARG 34 2HH1 ARG 34 -5.424 -2.986 7.552
267 HH21 ARG 34 1HH2 ARG 34 -3.904 -0.251 6.056
268 HH22 ARG 34 2HH2 ARG 34 -4.192 -1.091 7.544
269 H ARG 35 H ARG 35 -3.500 -0.381 -0.691
270 HA ARG 35 HA ARG 35 -0.683 0.503 -0.672
271 HB2 ARG 35 2HB ARG 35 -3.182 1.813 -1.783
272 HB3 ARG 35 1HB ARG 35 -1.555 2.457 -1.940
273 HG2 ARG 35 2HG ARG 35 -0.958 0.937 -3.521
274 HG3 ARG 35 1HG ARG 35 -1.838 -0.369 -2.736
275 HD2 ARG 35 2HD ARG 35 -3.967 0.902 -3.545
276 HD3 ARG 35 1HD ARG 35 -2.863 1.703 -4.662
277 HE ARG 35 HE ARG 35 -2.881 -1.270 -4.582
278 HH11 ARG 35 1HH2 ARG 35 -4.181 1.539 -6.026
279 HH12 ARG 35 2HH2 ARG 35 -4.107 0.919 -7.642
280 HH21 ARG 35 1HH1 ARG 35 -2.504 -2.017 -6.723
281 HH22 ARG 35 2HH1 ARG 35 -3.157 -1.097 -8.037
282 H GLY 36 H GLY 36 0.106 1.796 0.912
283 HA2 GLY 36 2HA GLY 36 -1.785 3.448 2.500
284 HA3 GLY 36 1HA GLY 36 -0.750 2.320 3.351
285 H CYS 37 H CYS 37 0.408 3.860 4.442
286 HA CYS 37 HA CYS 37 2.089 5.680 2.767
287 HB2 CYS 37 2HB CYS 37 2.118 7.185 4.723
288 HB3 CYS 37 1HB CYS 37 0.486 6.898 4.119
289 H GLY 38 H GLY 38 4.108 4.806 2.699
290 HA2 GLY 38 2HA GLY 38 6.199 4.771 4.094
291 HA3 GLY 38 1HA GLY 38 5.272 3.824 5.256
292 H CYS 39 H CYS 39 6.832 2.141 4.998
293 HA CYS 39 HA CYS 39 6.522 0.648 2.422
294 HB2 CYS 39 2HB CYS 39 8.820 0.502 4.399
295 HB3 CYS 39 1HB CYS 39 8.674 -0.449 2.923
296 H PHE 40 H PHE 40 6.758 -1.749 2.736
297 HA PHE 40 HA PHE 40 4.747 -2.679 4.574
298 HB2 PHE 40 2HB PHE 40 6.143 -4.959 3.847
299 HB3 PHE 40 1HB PHE 40 4.785 -4.277 2.959
300 HD1 PHE 40 1HD PHE 40 5.129 -2.913 0.976
301 HD2 PHE 40 2HD PHE 40 8.436 -4.593 3.128
302 HE1 PHE 40 1HE PHE 40 6.637 -2.332 -0.907
303 HE2 PHE 40 2HE PHE 40 9.953 -4.026 1.248
304 HZ PHE 40 HZ PHE 40 9.059 -2.889 -0.774
305 H THR 41 H THR 41 5.510 -4.836 5.871
306 HA THR 41 HA THR 41 7.377 -3.734 7.859
307 HB THR 41 HB THR 41 5.419 -6.021 7.960
308 HG1 THR 41 1HG THR 41 4.303 -4.431 8.693
309 HG21 THR 41 3HG2 THR 41 6.379 -5.726 10.517
310 HG22 THR 41 1HG2 THR 41 7.848 -5.579 9.554
311 HG23 THR 41 2HG2 THR 41 6.844 -7.021 9.415
312 HA PRO 42 HA PRO 42 9.689 -7.724 6.912
313 HB2 PRO 42 2HB PRO 42 8.715 -9.439 5.001
314 HB3 PRO 42 1HB PRO 42 8.220 -9.491 6.703
315 HG2 PRO 42 2HG PRO 42 6.664 -8.610 4.354
316 HG3 PRO 42 1HG PRO 42 6.093 -9.039 5.974
317 HD2 PRO 42 2HD PRO 42 6.526 -6.402 4.865
318 HD3 PRO 42 1HD PRO 42 5.872 -6.809 6.460
319 H ARG 43 H ARG 43 10.125 -5.330 5.526
320 HA ARG 43 HA ARG 43 10.371 -5.462 2.723
321 HB2 ARG 43 2HB ARG 43 12.231 -3.844 2.963
322 HB3 ARG 43 1HB ARG 43 10.869 -3.422 3.985
323 HG2 ARG 43 2HG ARG 43 12.130 -4.887 5.776
324 HG3 ARG 43 1HG ARG 43 13.532 -4.538 4.765
325 HD2 ARG 43 2HD ARG 43 12.211 -2.079 5.027
326 HD3 ARG 43 1HD ARG 43 12.147 -2.802 6.635
327 HE ARG 43 HE ARG 43 14.665 -3.071 6.424
328 HH11 ARG 43 1HH2 ARG 43 13.438 -1.456 3.739
329 HH12 ARG 43 2HH2 ARG 43 14.547 -0.127 3.818
330 HH21 ARG 43 1HH1 ARG 43 15.875 -1.074 6.877
331 HH22 ARG 43 2HH1 ARG 43 15.925 0.091 5.596
332 H GLY 44 H GLY 44 11.892 -6.384 1.350
333 HA2 GLY 44 2HA GLY 44 14.443 -7.250 1.926
334 HA3 GLY 44 1HA GLY 44 13.410 -8.584 2.430
335 H ASP 45 H ASP 45 14.802 -9.576 0.571
336 HA ASP 45 HA ASP 45 13.781 -8.871 -2.114
337 HB2 ASP 45 2HB ASP 45 16.129 -10.291 -1.035
338 HB3 ASP 45 1HB ASP 45 15.448 -11.007 -2.496
339 H MET 46 H MET 46 13.230 -11.236 0.369
340 HA MET 46 HA MET 46 12.310 -13.386 -1.269
341 HB2 MET 46 2HB MET 46 12.409 -12.831 1.512
342 HB3 MET 46 1HB MET 46 10.737 -13.238 1.127
343 HG2 MET 46 2HG MET 46 11.801 -15.200 -0.242
344 HG3 MET 46 1HG MET 46 13.212 -14.907 0.775
345 HE1 MET 46 3HE MET 46 9.656 -17.306 1.463
346 HE2 MET 46 1HE MET 46 11.267 -17.875 1.008
347 HE3 MET 46 2HE MET 46 10.455 -16.651 0.037
348 HA PRO 47 HA PRO 47 8.008 -11.372 -1.039
349 HB2 PRO 47 2HB PRO 47 7.766 -9.004 0.329
350 HB3 PRO 47 1HB PRO 47 7.618 -10.587 1.100
351 HG2 PRO 47 2HG PRO 47 9.847 -8.629 1.270
352 HG3 PRO 47 1HG PRO 47 9.394 -9.912 2.402
353 HD2 PRO 47 2HD PRO 47 11.510 -9.993 0.484
354 HD3 PRO 47 1HD PRO 47 10.935 -11.335 1.490
355 H GLY 48 H GLY 48 6.976 -9.581 -2.328
356 HA2 GLY 48 2HA GLY 48 8.910 -7.676 -3.490
357 HA3 GLY 48 1HA GLY 48 8.015 -8.724 -4.580
358 HA PRO 49 HA PRO 49 4.631 -5.968 -2.769
359 HB2 PRO 49 2HB PRO 49 5.175 -4.470 -0.541
360 HB3 PRO 49 1HB PRO 49 4.581 -6.134 -0.479
361 HG2 PRO 49 2HG PRO 49 7.306 -5.118 0.107
362 HG3 PRO 49 1HG PRO 49 6.520 -6.593 0.667
363 HD2 PRO 49 2HD PRO 49 8.446 -6.393 -1.420
364 HD3 PRO 49 1HD PRO 49 7.473 -7.806 -0.991
365 H TYR 50 H TYR 50 4.385 -3.298 -2.221
366 HA TYR 50 HA TYR 50 6.568 -2.019 -3.808
367 HB2 TYR 50 2HB TYR 50 4.303 -2.581 -5.001
368 HB3 TYR 50 1HB TYR 50 3.725 -1.145 -4.152
369 HD1 TYR 50 1HD TYR 50 6.844 -2.174 -5.985
370 HD2 TYR 50 2HD TYR 50 3.828 0.823 -5.374
371 HE1 TYR 50 1HE TYR 50 7.938 -0.730 -7.678
372 HE2 TYR 50 2HE TYR 50 4.923 2.268 -7.068
373 HH TYR 50 HH TYR 50 7.570 1.098 -9.047
374 H CYS 51 H CYS 51 7.521 -0.618 -2.419
375 HA CYS 51 HA CYS 51 5.777 1.182 -0.741
376 HB2 CYS 51 2HB CYS 51 7.567 -0.094 0.505
377 HB3 CYS 51 1HB CYS 51 8.773 0.686 -0.517
378 H CYS 52 H CYS 52 6.389 3.480 -0.887
379 HA CYS 52 HA CYS 52 8.202 4.229 -3.099
380 HB2 CYS 52 2HB CYS 52 5.893 3.788 -4.069
381 HB3 CYS 52 1HB CYS 52 5.329 5.174 -3.154
382 H GLU 53 H GLU 53 8.328 6.667 -3.237
383 HA GLU 53 HA GLU 53 7.803 7.835 -0.555
384 HB2 GLU 53 2HB GLU 53 10.149 8.587 -2.278
385 HB3 GLU 53 1HB GLU 53 9.854 8.989 -0.582
386 HG2 GLU 53 2HG GLU 53 10.614 6.996 0.159
387 HG3 GLU 53 1HG GLU 53 9.782 6.108 -1.119
388 H SER 54 H SER 54 6.038 8.027 -2.793
389 HA SER 54 HA SER 54 6.062 10.989 -3.090
390 HB2 SER 54 2HB SER 54 4.935 9.735 -5.435
391 HB3 SER 54 1HB SER 54 6.229 10.923 -5.334
392 HG SER 54 HG SER 54 6.340 8.196 -5.621
393 H ASP 55 H ASP 55 3.841 11.826 -3.501
394 HA ASP 55 HA ASP 55 1.907 10.388 -1.916
395 HB2 ASP 55 2HB ASP 55 1.138 12.593 -3.811
396 HB3 ASP 55 1HB ASP 55 0.496 12.216 -2.217
397 H LYS 56 H LYS 56 -0.088 9.478 -2.637
398 HA LYS 56 HA LYS 56 -1.149 7.849 -3.986
399 HB2 LYS 56 2HB LYS 56 -2.141 8.833 -5.934
400 HB3 LYS 56 1HB LYS 56 -1.981 10.131 -4.751
401 HG2 LYS 56 2HG LYS 56 0.027 10.951 -5.832
402 HG3 LYS 56 1HG LYS 56 0.050 9.572 -6.930
403 HD2 LYS 56 2HD LYS 56 -2.243 11.545 -6.792
404 HD3 LYS 56 1HD LYS 56 -0.903 11.696 -7.928
405 HE2 LYS 56 2HE LYS 56 -1.958 10.274 -9.313
406 HE3 LYS 56 1HE LYS 56 -1.811 9.013 -8.089
407 HZ1 LYS 56 3HZ LYS 56 -4.056 9.113 -8.253
408 HZ2 LYS 56 1HZ LYS 56 -4.078 10.745 -8.710
409 HZ3 LYS 56 2HZ LYS 56 -3.843 10.325 -7.082
410 H CYS 57 H CYS 57 1.823 7.733 -3.999
411 HA CYS 57 HA CYS 57 2.583 7.141 -6.760
412 HB2 CYS 57 2HB CYS 57 4.251 8.008 -5.183
413 HB3 CYS 57 1HB CYS 57 4.026 6.594 -4.152
414 H ASN 58 H ASN 58 1.245 5.316 -4.094
415 HA ASN 58 HA ASN 58 2.050 2.785 -5.327
416 HB2 ASN 58 2HB ASN 58 0.664 1.857 -3.354
417 HB3 ASN 58 1HB ASN 58 2.190 2.653 -2.983
418 HD21 ASN 58 1HD2 ASN 58 0.475 2.621 -0.872
419 HD22 ASN 58 2HD2 ASN 58 -0.310 4.116 -0.663
420 H LEU 59 H LEU 59 0.430 4.246 -7.031
421 HA LEU 59 HA LEU 59 -2.355 3.413 -6.701
422 HB2 LEU 59 2HB LEU 59 -1.729 5.527 -7.870
423 HB3 LEU 59 1HB LEU 59 -0.948 4.574 -9.128
424 HG LEU 59 HG LEU 59 -3.388 5.373 -9.535
425 HD11 LEU 59 1HD1 LEU 59 -3.213 3.853 -11.179
426 HD12 LEU 59 2HD1 LEU 59 -3.605 2.559 -10.047
427 HD13 LEU 59 3HD1 LEU 59 -1.927 3.048 -10.280
428 HD21 LEU 59 3HD2 LEU 59 -5.130 4.292 -8.446
429 HD22 LEU 59 1HD2 LEU 59 -3.944 4.351 -7.142
430 HD23 LEU 59 2HD2 LEU 59 -4.155 2.869 -8.076
Start of MODEL 2
1 H1 ARG 1 1HT ARG 1 3.269 12.613 4.025
2 H2 ARG 1 2HT ARG 1 1.657 13.103 4.236
3 H3 ARG 1 3HT ARG 1 2.856 14.250 3.874
4 HA ARG 1 HA ARG 1 2.303 14.036 1.757
5 HB2 ARG 1 2HB ARG 1 4.184 12.091 2.383
6 HB3 ARG 1 1HB ARG 1 2.968 11.201 1.468
7 HG2 ARG 1 2HG ARG 1 3.154 13.418 -0.067
8 HG3 ARG 1 1HG ARG 1 4.790 13.373 0.585
9 HD2 ARG 1 2HD ARG 1 4.722 10.843 -0.082
10 HD3 ARG 1 1HD ARG 1 3.389 11.315 -1.124
11 HE ARG 1 HE ARG 1 5.253 11.789 -2.526
12 HH11 ARG 1 1HH2 ARG 1 4.728 14.565 -1.297
13 HH12 ARG 1 2HH2 ARG 1 6.347 15.061 -0.938
14 HH21 ARG 1 1HH1 ARG 1 7.680 11.878 -1.287
15 HH22 ARG 1 2HH1 ARG 1 8.020 13.539 -0.932
16 H ILE 2 H ILE 2 1.154 12.274 0.084
17 HA ILE 2 HA ILE 2 -1.266 11.285 1.555
18 HB ILE 2 HB ILE 2 -1.028 12.712 -1.095
19 HG12 ILE 2 2HG1 ILE 2 -3.142 13.775 0.057
20 HG13 ILE 2 1HG1 ILE 2 -2.459 13.045 1.509
21 HG21 ILE 2 1HG2 ILE 2 -2.401 10.912 -1.755
22 HG22 ILE 2 2HG2 ILE 2 -3.572 12.117 -1.218
23 HG23 ILE 2 3HG2 ILE 2 -3.142 10.772 -0.162
24 HD11 ILE 2 3HD1 ILE 2 -1.764 15.513 0.665
25 HD12 ILE 2 1HD1 ILE 2 -0.570 14.558 -0.216
26 HD13 ILE 2 2HD1 ILE 2 -0.654 14.462 1.544
27 H CYS 3 H CYS 3 -1.364 9.088 1.464
28 HA CYS 3 HA CYS 3 -0.393 7.857 -1.082
29 HB2 CYS 3 2HB CYS 3 -0.050 6.808 1.735
30 HB3 CYS 3 1HB CYS 3 0.278 5.853 0.295
31 H TYR 4 H TYR 4 -1.390 5.558 -1.423
32 HA TYR 4 HA TYR 4 -4.282 5.871 -1.132
33 HB2 TYR 4 2HB TYR 4 -2.525 3.763 -2.357
34 HB3 TYR 4 1HB TYR 4 -4.246 3.482 -2.146
35 HD1 TYR 4 2HD TYR 4 -5.689 5.726 -2.807
36 HD2 TYR 4 1HD TYR 4 -1.910 4.537 -4.462
37 HE1 TYR 4 2HE TYR 4 -6.165 7.050 -4.847
38 HE2 TYR 4 1HE TYR 4 -2.388 5.862 -6.499
39 HH TYR 4 HH TYR 4 -5.455 7.046 -7.244
40 H ASN 5 H ASN 5 -5.649 4.615 0.170
41 HA ASN 5 HA ASN 5 -4.243 3.137 2.347
42 HB2 ASN 5 2HB ASN 5 -5.217 4.924 3.435
43 HB3 ASN 5 1HB ASN 5 -6.560 5.024 2.305
44 HD21 ASN 5 1HD2 ASN 5 -5.409 2.152 4.103
45 HD22 ASN 5 2HD2 ASN 5 -6.866 1.893 4.920
46 H HIS 6 H HIS 6 -6.936 2.917 0.041
47 HA HIS 6 HA HIS 6 -8.204 0.738 1.376
48 HB2 HIS 6 2HB HIS 6 -8.983 2.201 -0.720
49 HB3 HIS 6 1HB HIS 6 -8.494 0.733 -1.549
50 HD1 HIS 6 1HD HIS 6 -10.550 1.623 1.544
51 HD2 HIS 6 2HD HIS 6 -10.491 -1.140 -1.582
52 HE1 HIS 6 1HE HIS 6 -12.604 0.168 1.835
53 H LEU 7 H LEU 7 -8.571 -1.385 0.159
54 HA LEU 7 HA LEU 7 -5.878 -2.548 -0.282
55 HB2 LEU 7 2HB LEU 7 -7.302 -4.758 0.179
56 HB3 LEU 7 1HB LEU 7 -6.604 -3.805 1.480
57 HG LEU 7 HG LEU 7 -9.012 -4.457 1.827
58 HD11 LEU 7 1HD1 LEU 7 -7.739 -1.918 2.198
59 HD12 LEU 7 2HD1 LEU 7 -8.953 -2.699 3.210
60 HD13 LEU 7 3HD1 LEU 7 -9.454 -1.654 1.881
61 HD21 LEU 7 3HD2 LEU 7 -10.123 -4.311 -0.201
62 HD22 LEU 7 1HD2 LEU 7 -9.284 -2.840 -0.683
63 HD23 LEU 7 2HD2 LEU 7 -10.572 -2.763 0.514
64 H GLY 8 H GLY 8 -6.238 -4.826 -1.466
65 HA2 GLY 8 2HA GLY 8 -6.556 -5.861 -3.532
66 HA3 GLY 8 1HA GLY 8 -8.117 -5.048 -3.571
67 H THR 9 H THR 9 -7.218 -5.203 -5.969
68 HA THR 9 HA THR 9 -5.314 -3.103 -6.688
69 HB THR 9 HB THR 9 -7.125 -4.548 -8.616
70 HG1 THR 9 1HG THR 9 -5.252 -6.056 -8.640
71 HG21 THR 9 3HG2 THR 9 -5.732 -3.694 -10.170
72 HG22 THR 9 1HG2 THR 9 -4.305 -4.196 -9.264
73 HG23 THR 9 2HG2 THR 9 -5.092 -2.662 -8.891
74 H LYS 10 H LYS 10 -8.772 -3.395 -6.361
75 HA LYS 10 HA LYS 10 -9.771 -1.460 -8.094
76 HB2 LYS 10 2HB LYS 10 -11.229 -0.827 -5.929
77 HB3 LYS 10 1HB LYS 10 -11.471 -2.342 -6.796
78 HG2 LYS 10 2HG LYS 10 -10.241 -3.583 -5.201
79 HG3 LYS 10 1HG LYS 10 -9.498 -2.134 -4.523
80 HD2 LYS 10 2HD LYS 10 -11.612 -1.413 -3.582
81 HD3 LYS 10 1HD LYS 10 -12.466 -2.725 -4.394
82 HE2 LYS 10 2HE LYS 10 -10.208 -3.628 -2.741
83 HE3 LYS 10 1HE LYS 10 -11.495 -2.846 -1.823
84 HZ1 LYS 10 3HZ LYS 10 -13.062 -4.324 -3.103
85 HZ2 LYS 10 1HZ LYS 10 -12.081 -5.098 -1.957
86 HZ3 LYS 10 2HZ LYS 10 -11.696 -5.198 -3.609
87 HA PRO 11 HA PRO 11 -8.055 2.397 -6.897
88 HB2 PRO 11 2HB PRO 11 -10.237 4.076 -7.037
89 HB3 PRO 11 1HB PRO 11 -9.384 3.450 -8.459
90 HG2 PRO 11 2HG PRO 11 -12.019 2.617 -7.327
91 HG3 PRO 11 1HG PRO 11 -11.447 2.553 -9.002
92 HD2 PRO 11 2HD PRO 11 -11.586 0.358 -7.257
93 HD3 PRO 11 1HD PRO 11 -10.632 0.417 -8.754
94 HA PRO 12 HA PRO 12 -9.177 2.179 -2.552
95 HB2 PRO 12 2HB PRO 12 -6.732 3.085 -1.656
96 HB3 PRO 12 1HB PRO 12 -7.039 1.402 -2.095
97 HG2 PRO 12 2HG PRO 12 -5.540 3.478 -3.551
98 HG3 PRO 12 1HG PRO 12 -5.382 1.721 -3.642
99 HD2 PRO 12 2HD PRO 12 -6.699 3.369 -5.539
100 HD3 PRO 12 1HD PRO 12 -6.797 1.597 -5.442
101 H THR 13 H THR 13 -8.517 3.937 -0.656
102 HA THR 13 HA THR 13 -9.312 6.589 -1.791
103 HB THR 13 HB THR 13 -10.200 7.048 0.505
104 HG1 THR 13 1HG THR 13 -8.875 5.550 1.600
105 HG21 THR 13 3HG2 THR 13 -12.070 6.373 -0.561
106 HG22 THR 13 1HG2 THR 13 -11.828 4.807 0.214
107 HG23 THR 13 2HG2 THR 13 -11.206 5.093 -1.412
108 H THR 14 H THR 14 -7.591 7.953 -1.836
109 HA THR 14 HA THR 14 -5.096 7.475 -0.691
110 HB THR 14 HB THR 14 -4.933 10.098 -0.697
111 HG1 THR 14 1HG THR 14 -6.816 10.937 -1.080
112 HG21 THR 14 3HG2 THR 14 -5.087 9.787 -3.372
113 HG22 THR 14 1HG2 THR 14 -5.068 8.094 -2.876
114 HG23 THR 14 2HG2 THR 14 -3.748 9.166 -2.406
115 H GLU 15 H GLU 15 -4.069 8.145 1.160
116 HA GLU 15 HA GLU 15 -5.697 9.293 3.357
117 HB2 GLU 15 2HB GLU 15 -5.055 7.593 4.913
118 HB3 GLU 15 1HB GLU 15 -5.614 6.729 3.482
119 HG2 GLU 15 2HG GLU 15 -3.609 5.623 3.876
120 HG3 GLU 15 1HG GLU 15 -3.060 6.898 2.784
121 H THR 16 H THR 16 -4.519 10.880 4.346
122 HA THR 16 HA THR 16 -1.862 11.441 3.349
123 HB THR 16 HB THR 16 -2.265 12.989 5.671
124 HG1 THR 16 1HG THR 16 -4.331 12.583 5.969
125 HG21 THR 16 3HG2 THR 16 -1.577 13.511 3.182
126 HG22 THR 16 1HG2 THR 16 -2.330 14.763 4.170
127 HG23 THR 16 2HG2 THR 16 -3.295 13.868 2.996
128 H CYS 17 H CYS 17 0.058 10.923 4.205
129 HA CYS 17 HA CYS 17 0.228 9.941 7.007
130 HB2 CYS 17 2HB CYS 17 0.574 8.358 4.572
131 HB3 CYS 17 1HB CYS 17 2.009 8.333 5.593
132 H GLN 18 H GLN 18 2.292 10.437 7.935
133 HA GLN 18 HA GLN 18 3.692 12.627 6.759
134 HB2 GLN 18 2HB GLN 18 3.823 12.084 9.173
135 HB3 GLN 18 1HB GLN 18 4.776 10.659 8.781
136 HG2 GLN 18 2HG GLN 18 6.182 12.673 9.368
137 HG3 GLN 18 1HG GLN 18 6.516 11.996 7.780
138 HE21 GLN 18 1HE2 GLN 18 5.571 13.143 5.871
139 HE22 GLN 18 2HE2 GLN 18 5.154 14.784 5.977
140 H GLU 19 H GLU 19 4.268 9.165 6.730
141 HA GLU 19 HA GLU 19 6.848 9.345 5.484
142 HB2 GLU 19 2HB GLU 19 5.365 6.983 4.612
143 HB3 GLU 19 1HB GLU 19 6.857 7.083 5.538
144 HG2 GLU 19 2HG GLU 19 4.044 7.343 6.641
145 HG3 GLU 19 1HG GLU 19 5.149 5.993 6.894
146 H ASP 20 H ASP 20 7.261 10.063 3.500
147 HA ASP 20 HA ASP 20 5.114 10.668 1.658
148 HB2 ASP 20 2HB ASP 20 7.494 10.703 0.151
149 HB3 ASP 20 1HB ASP 20 6.664 12.089 0.845
150 H SER 21 H SER 21 6.870 7.889 2.380
151 HA SER 21 HA SER 21 6.732 6.698 -0.272
152 HB2 SER 21 2HB SER 21 6.960 4.799 1.908
153 HB3 SER 21 1HB SER 21 8.121 5.169 0.637
154 HG SER 21 HG SER 21 8.103 5.930 3.216
155 H CYS 22 H CYS 22 5.182 5.120 -0.915
156 HA CYS 22 HA CYS 22 2.859 4.782 0.932
157 HB2 CYS 22 2HB CYS 22 2.622 4.733 -2.072
158 HB3 CYS 22 1HB CYS 22 1.346 4.937 -0.885
159 H TYR 23 H TYR 23 2.597 2.625 1.400
160 HA TYR 23 HA TYR 23 4.051 0.776 -0.403
161 HB2 TYR 23 2HB TYR 23 4.507 -0.650 1.385
162 HB3 TYR 23 1HB TYR 23 4.709 0.948 2.066
163 HD1 TYR 23 2HD TYR 23 2.249 1.943 2.970
164 HD2 TYR 23 1HD TYR 23 3.461 -2.168 2.737
165 HE1 TYR 23 2HE TYR 23 0.606 1.359 4.723
166 HE2 TYR 23 1HE TYR 23 1.815 -2.748 4.498
167 HH TYR 23 HH TYR 23 0.147 -2.013 5.767
168 H LYS 24 H LYS 24 3.051 -0.624 -1.529
169 HA LYS 24 HA LYS 24 0.268 -1.404 -0.765
170 HB2 LYS 24 2HB LYS 24 -0.173 -0.058 -2.581
171 HB3 LYS 24 1HB LYS 24 1.345 -0.426 -3.373
172 HG2 LYS 24 2HG LYS 24 0.216 -2.874 -3.468
173 HG3 LYS 24 1HG LYS 24 -1.242 -1.880 -3.448
174 HD2 LYS 24 2HD LYS 24 0.840 -0.833 -5.214
175 HD3 LYS 24 1HD LYS 24 0.273 -2.434 -5.687
176 HE2 LYS 24 2HE LYS 24 -2.065 -1.103 -5.027
177 HE3 LYS 24 1HE LYS 24 -1.102 0.146 -5.816
178 HZ1 LYS 24 3HZ LYS 24 -0.693 -1.482 -7.632
179 HZ2 LYS 24 1HZ LYS 24 -2.313 -1.003 -7.489
180 HZ3 LYS 24 2HZ LYS 24 -1.823 -2.519 -6.903
181 H ASN 25 H ASN 25 0.404 -3.446 -0.154
182 HA ASN 25 HA ASN 25 2.212 -5.315 -1.642
183 HB2 ASN 25 2HB ASN 25 1.987 -6.514 0.767
184 HB3 ASN 25 1HB ASN 25 3.224 -5.312 0.451
185 HD21 ASN 25 1HD2 ASN 25 2.256 -2.908 0.778
186 HD22 ASN 25 2HD2 ASN 25 1.316 -2.704 2.168
187 H ILE 26 H ILE 26 1.499 -7.681 -1.137
188 HA ILE 26 HA ILE 26 -1.466 -7.813 -1.458
189 HB ILE 26 HB ILE 26 -1.151 -9.766 -2.833
190 HG12 ILE 26 2HG1 ILE 26 1.440 -10.297 -3.264
191 HG13 ILE 26 1HG1 ILE 26 1.575 -9.673 -1.619
192 HG21 ILE 26 1HG2 ILE 26 1.131 -8.224 -3.905
193 HG22 ILE 26 2HG2 ILE 26 -0.317 -7.274 -3.572
194 HG23 ILE 26 3HG2 ILE 26 -0.400 -8.651 -4.671
195 HD11 ILE 26 3HD1 ILE 26 0.881 -12.268 -2.303
196 HD12 ILE 26 1HD1 ILE 26 -0.674 -11.517 -1.945
197 HD13 ILE 26 2HD1 ILE 26 0.607 -11.511 -0.733
198 H TRP 27 H TRP 27 1.037 -8.454 0.661
199 HA TRP 27 HA TRP 27 -0.221 -10.893 1.797
200 HB2 TRP 27 2HB TRP 27 2.058 -9.747 3.245
201 HB3 TRP 27 1HB TRP 27 1.820 -11.391 2.658
202 HD1 TRP 27 HD TRP 27 3.294 -8.031 1.681
203 HE1 TRP 27 1HE TRP 27 4.710 -8.315 -0.453
204 HE3 TRP 27 3HE TRP 27 2.083 -12.840 0.455
205 HZ2 TRP 27 2HZ TRP 27 5.257 -10.320 -2.422
206 HZ3 TRP 27 3HZ TRP 27 3.066 -13.910 -1.554
207 HH2 TRP 27 HH TRP 27 4.650 -12.657 -2.993
208 H THR 28 H THR 28 -1.778 -10.572 3.305
209 HA THR 28 HA THR 28 -1.300 -8.711 5.502
210 HB THR 28 HB THR 28 -2.207 -7.089 4.018
211 HG1 THR 28 1HG THR 28 -4.264 -6.696 4.989
212 HG21 THR 28 3HG2 THR 28 -4.737 -8.446 3.399
213 HG22 THR 28 1HG2 THR 28 -3.319 -9.224 2.697
214 HG23 THR 28 2HG2 THR 28 -3.661 -7.530 2.343
215 H PHE 29 H PHE 29 -4.065 -10.397 3.944
216 HA PHE 29 HA PHE 29 -4.590 -11.681 6.593
217 HB2 PHE 29 2HB PHE 29 -6.521 -11.167 4.306
218 HB3 PHE 29 1HB PHE 29 -6.928 -11.907 5.854
219 HD1 PHE 29 2HD PHE 29 -6.378 -10.522 7.995
220 HD2 PHE 29 1HD PHE 29 -6.652 -8.838 4.051
221 HE1 PHE 29 2HE PHE 29 -6.733 -8.272 8.978
222 HE2 PHE 29 1HE PHE 29 -7.006 -6.591 5.035
223 HZ PHE 29 HZ PHE 29 -7.047 -6.307 7.499
224 H ASP 30 H ASP 30 -5.508 -12.390 3.224
225 HA ASP 30 HA ASP 30 -4.151 -15.034 3.474
226 HB2 ASP 30 2HB ASP 30 -6.768 -14.843 2.024
227 HB3 ASP 30 1HB ASP 30 -6.036 -16.230 2.829
228 H ASN 31 H ASN 31 -6.076 -13.218 1.047
229 HA ASN 31 HA ASN 31 -3.699 -13.056 -0.695
230 HB2 ASN 31 2HB ASN 31 -5.290 -15.246 -1.007
231 HB3 ASN 31 1HB ASN 31 -6.087 -14.108 -2.095
232 HD21 ASN 31 1HD2 ASN 31 -4.142 -12.701 -3.312
233 HD22 ASN 31 2HD2 ASN 31 -2.998 -13.702 -4.069
234 H ILE 32 H ILE 32 -4.135 -10.765 -0.182
235 HA ILE 32 HA ILE 32 -6.107 -9.621 -2.081
236 HB ILE 32 HB ILE 32 -6.555 -7.907 -0.089
237 HG12 ILE 32 2HG1 ILE 32 -4.919 -9.255 1.349
238 HG13 ILE 32 1HG1 ILE 32 -6.472 -8.859 2.079
239 HG21 ILE 32 1HG2 ILE 32 -8.226 -9.326 -1.303
240 HG22 ILE 32 2HG2 ILE 32 -8.596 -9.114 0.408
241 HG23 ILE 32 3HG2 ILE 32 -7.887 -10.625 -0.160
242 HD11 ILE 32 3HD1 ILE 32 -6.852 -11.052 2.419
243 HD12 ILE 32 1HD1 ILE 32 -5.326 -11.450 1.632
244 HD13 ILE 32 2HD1 ILE 32 -6.801 -11.322 0.678
245 H ILE 33 H ILE 33 -5.733 -6.923 -1.347
246 HA ILE 33 HA ILE 33 -2.787 -6.519 -1.459
247 HB ILE 33 HB ILE 33 -4.611 -4.904 -3.217
248 HG12 ILE 33 2HG1 ILE 33 -4.921 -7.396 -3.628
249 HG13 ILE 33 1HG1 ILE 33 -4.357 -6.468 -5.017
250 HG21 ILE 33 1HG2 ILE 33 -2.494 -3.948 -3.227
251 HG22 ILE 33 2HG2 ILE 33 -2.334 -5.085 -4.565
252 HG23 ILE 33 3HG2 ILE 33 -1.682 -5.493 -2.979
253 HD11 ILE 33 3HD1 ILE 33 -2.206 -7.497 -3.280
254 HD12 ILE 33 1HD1 ILE 33 -2.330 -7.499 -5.040
255 HD13 ILE 33 2HD1 ILE 33 -3.147 -8.745 -4.098
256 H ARG 34 H ARG 34 -2.138 -4.382 -0.652
257 HA ARG 34 HA ARG 34 -4.344 -2.733 0.398
258 HB2 ARG 34 2HB ARG 34 -3.405 -4.510 2.121
259 HB3 ARG 34 1HB ARG 34 -2.190 -3.246 2.357
260 HG2 ARG 34 2HG ARG 34 -3.724 -1.725 3.168
261 HG3 ARG 34 1HG ARG 34 -5.034 -2.389 2.209
262 HD2 ARG 34 2HD ARG 34 -5.728 -3.298 4.175
263 HD3 ARG 34 1HD ARG 34 -4.474 -4.497 3.861
264 HE ARG 34 HE ARG 34 -3.677 -2.066 5.355
265 HH11 ARG 34 1HH2 ARG 34 -2.029 -4.574 5.235
266 HH12 ARG 34 2HH2 ARG 34 -2.374 -5.304 6.767
267 HH21 ARG 34 1HH1 ARG 34 -5.185 -3.359 7.357
268 HH22 ARG 34 2HH1 ARG 34 -4.163 -4.616 7.969
269 H ARG 35 H ARG 35 -3.948 -0.799 -0.348
270 HA ARG 35 HA ARG 35 -1.198 0.176 -0.731
271 HB2 ARG 35 2HB ARG 35 -3.797 1.637 -1.197
272 HB3 ARG 35 1HB ARG 35 -2.221 2.062 -1.829
273 HG2 ARG 35 2HG ARG 35 -3.071 0.949 -3.665
274 HG3 ARG 35 1HG ARG 35 -2.346 -0.412 -2.809
275 HD2 ARG 35 2HD ARG 35 -4.370 -1.292 -2.207
276 HD3 ARG 35 1HD ARG 35 -5.110 0.296 -2.004
277 HE ARG 35 HE ARG 35 -6.086 -0.351 -4.079
278 HH11 ARG 35 1HH2 ARG 35 -4.422 -2.634 -4.866
279 HH12 ARG 35 2HH2 ARG 35 -3.520 -2.022 -6.211
280 HH21 ARG 35 1HH1 ARG 35 -4.138 1.302 -5.448
281 HH22 ARG 35 2HH1 ARG 35 -3.359 0.208 -6.540
282 H GLY 36 H GLY 36 -0.209 1.126 0.970
283 HA2 GLY 36 2HA GLY 36 -1.884 2.730 2.849
284 HA3 GLY 36 1HA GLY 36 -0.671 1.615 3.454
285 H CYS 37 H CYS 37 0.474 3.370 4.437
286 HA CYS 37 HA CYS 37 1.973 5.055 2.485
287 HB2 CYS 37 2HB CYS 37 2.056 6.719 4.459
288 HB3 CYS 37 1HB CYS 37 0.541 6.584 3.566
289 H GLY 38 H GLY 38 4.157 4.730 2.628
290 HA2 GLY 38 2HA GLY 38 6.246 4.380 3.714
291 HA3 GLY 38 1HA GLY 38 5.382 4.130 5.235
292 H CYS 39 H CYS 39 7.432 2.417 3.772
293 HA CYS 39 HA CYS 39 6.097 0.124 2.711
294 HB2 CYS 39 2HB CYS 39 8.757 0.283 4.104
295 HB3 CYS 39 1HB CYS 39 8.188 -1.104 3.196
296 H PHE 40 H PHE 40 5.682 -1.892 3.698
297 HA PHE 40 HA PHE 40 4.396 -1.671 6.248
298 HB2 PHE 40 2HB PHE 40 4.375 -4.254 6.066
299 HB3 PHE 40 1HB PHE 40 3.521 -3.332 4.848
300 HD1 PHE 40 2HD PHE 40 7.144 -3.182 4.716
301 HD2 PHE 40 1HD PHE 40 3.689 -5.341 3.367
302 HE1 PHE 40 2HE PHE 40 8.505 -4.245 2.953
303 HE2 PHE 40 1HE PHE 40 5.055 -6.407 1.595
304 HZ PHE 40 HZ PHE 40 7.467 -5.864 1.392
305 H THR 41 H THR 41 4.976 -3.404 8.047
306 HA THR 41 HA THR 41 7.603 -2.638 8.998
307 HB THR 41 HB THR 41 5.680 -4.597 10.258
308 HG1 THR 41 1HG THR 41 4.635 -2.916 10.995
309 HG21 THR 41 3HG2 THR 41 7.465 -4.847 11.631
310 HG22 THR 41 1HG2 THR 41 7.012 -3.257 12.241
311 HG23 THR 41 2HG2 THR 41 8.264 -3.404 11.007
312 HA PRO 42 HA PRO 42 8.614 -7.248 8.547
313 HB2 PRO 42 2HB PRO 42 6.872 -8.827 7.124
314 HB3 PRO 42 1HB PRO 42 6.743 -8.555 8.870
315 HG2 PRO 42 2HG PRO 42 5.036 -7.492 6.692
316 HG3 PRO 42 1HG PRO 42 4.676 -7.653 8.418
317 HD2 PRO 42 2HD PRO 42 5.457 -5.280 7.014
318 HD3 PRO 42 1HD PRO 42 5.178 -5.439 8.756
319 H ARG 43 H ARG 43 9.194 -5.161 6.726
320 HA ARG 43 HA ARG 43 8.940 -5.940 3.985
321 HB2 ARG 43 2HB ARG 43 9.505 -3.674 4.420
322 HB3 ARG 43 1HB ARG 43 10.874 -4.120 5.428
323 HG2 ARG 43 2HG ARG 43 12.108 -4.923 3.525
324 HG3 ARG 43 1HG ARG 43 10.693 -4.783 2.480
325 HD2 ARG 43 2HD ARG 43 11.977 -2.849 1.997
326 HD3 ARG 43 1HD ARG 43 10.708 -2.282 3.083
327 HE ARG 43 HE ARG 43 12.514 -2.617 4.924
328 HH11 ARG 43 1HH2 ARG 43 12.693 -0.937 2.008
329 HH12 ARG 43 2HH2 ARG 43 14.371 -0.530 2.148
330 HH21 ARG 43 1HH1 ARG 43 14.882 -2.494 4.962
331 HH22 ARG 43 2HH1 ARG 43 15.611 -1.413 3.821
332 H GLY 44 H GLY 44 10.762 -6.631 2.585
333 HA2 GLY 44 2HA GLY 44 13.192 -7.680 3.446
334 HA3 GLY 44 1HA GLY 44 12.019 -8.982 3.640
335 H ASP 45 H ASP 45 13.522 -9.950 1.914
336 HA ASP 45 HA ASP 45 13.151 -8.854 -0.797
337 HB2 ASP 45 2HB ASP 45 14.752 -11.089 0.411
338 HB3 ASP 45 1HB ASP 45 14.449 -11.081 -1.327
339 H MET 46 H MET 46 11.310 -10.728 1.232
340 HA MET 46 HA MET 46 10.388 -12.687 -0.728
341 HB2 MET 46 2HB MET 46 10.325 -12.629 1.993
342 HB3 MET 46 1HB MET 46 8.677 -12.131 1.612
343 HG2 MET 46 2HG MET 46 8.799 -14.575 1.795
344 HG3 MET 46 1HG MET 46 8.430 -14.103 0.136
345 HE1 MET 46 3HE MET 46 9.999 -16.032 -1.715
346 HE2 MET 46 1HE MET 46 8.735 -16.151 -0.483
347 HE3 MET 46 2HE MET 46 10.150 -17.197 -0.401
348 HA PRO 47 HA PRO 47 6.603 -9.786 -0.788
349 HB2 PRO 47 2HB PRO 47 6.828 -7.387 0.525
350 HB3 PRO 47 1HB PRO 47 6.220 -8.869 1.279
351 HG2 PRO 47 2HG PRO 47 8.836 -7.514 1.666
352 HG3 PRO 47 1HG PRO 47 7.984 -8.633 2.744
353 HD2 PRO 47 2HD PRO 47 10.187 -9.252 1.040
354 HD3 PRO 47 1HD PRO 47 9.208 -10.410 1.961
355 H GLY 48 H GLY 48 6.052 -8.104 -2.261
356 HA2 GLY 48 2HA GLY 48 8.197 -6.352 -3.249
357 HA3 GLY 48 1HA GLY 48 7.479 -7.468 -4.408
358 HA PRO 49 HA PRO 49 3.869 -4.624 -2.988
359 HB2 PRO 49 2HB PRO 49 4.498 -2.659 -1.171
360 HB3 PRO 49 1HB PRO 49 3.937 -4.269 -0.718
361 HG2 PRO 49 2HG PRO 49 6.697 -3.148 -0.617
362 HG3 PRO 49 1HG PRO 49 5.938 -4.365 0.413
363 HD2 PRO 49 2HD PRO 49 7.735 -4.936 -1.655
364 HD3 PRO 49 1HD PRO 49 6.602 -6.104 -0.942
365 H TYR 50 H TYR 50 3.520 -2.021 -2.879
366 HA TYR 50 HA TYR 50 5.319 -0.916 -4.982
367 HB2 TYR 50 2HB TYR 50 2.636 -1.216 -5.139
368 HB3 TYR 50 1HB TYR 50 2.706 0.380 -4.392
369 HD1 TYR 50 2HD TYR 50 5.519 0.989 -5.691
370 HD2 TYR 50 1HD TYR 50 1.735 -0.321 -7.247
371 HE1 TYR 50 2HE TYR 50 6.076 1.991 -7.890
372 HE2 TYR 50 1HE TYR 50 2.293 0.679 -9.446
373 HH TYR 50 HH TYR 50 4.492 1.259 -10.694
374 H CYS 51 H CYS 51 6.759 -0.427 -3.075
375 HA CYS 51 HA CYS 51 5.881 1.656 -1.181
376 HB2 CYS 51 2HB CYS 51 8.396 0.122 -1.715
377 HB3 CYS 51 1HB CYS 51 8.523 1.688 -0.912
378 H CYS 52 H CYS 52 5.589 3.676 -2.101
379 HA CYS 52 HA CYS 52 7.807 4.683 -3.833
380 HB2 CYS 52 2HB CYS 52 5.816 5.984 -5.023
381 HB3 CYS 52 1HB CYS 52 6.338 4.403 -5.566
382 H GLU 53 H GLU 53 8.309 6.807 -3.578
383 HA GLU 53 HA GLU 53 7.130 8.143 -1.247
384 HB2 GLU 53 2HB GLU 53 9.180 9.462 -2.966
385 HB3 GLU 53 1HB GLU 53 8.993 9.484 -1.211
386 HG2 GLU 53 2HG GLU 53 10.636 7.938 -1.146
387 HG3 GLU 53 1HG GLU 53 9.443 6.802 -1.773
388 H SER 54 H SER 54 5.742 7.776 -3.981
389 HA SER 54 HA SER 54 5.282 10.648 -4.616
390 HB2 SER 54 2HB SER 54 3.770 9.201 -6.407
391 HB3 SER 54 1HB SER 54 5.403 9.785 -6.709
392 HG SER 54 HG SER 54 5.492 7.627 -7.062
393 H ASP 55 H ASP 55 3.192 11.533 -4.419
394 HA ASP 55 HA ASP 55 1.558 10.365 -2.366
395 HB2 ASP 55 2HB ASP 55 0.529 12.444 -4.280
396 HB3 ASP 55 1HB ASP 55 0.200 12.263 -2.558
397 H LYS 56 H LYS 56 -0.501 9.408 -2.552
398 HA LYS 56 HA LYS 56 -1.824 7.701 -3.519
399 HB2 LYS 56 2HB LYS 56 -3.288 8.586 -5.231
400 HB3 LYS 56 1HB LYS 56 -2.939 9.884 -4.091
401 HG2 LYS 56 2HG LYS 56 -1.115 9.605 -6.435
402 HG3 LYS 56 1HG LYS 56 -2.732 10.234 -6.738
403 HD2 LYS 56 2HD LYS 56 -1.752 11.507 -4.385
404 HD3 LYS 56 1HD LYS 56 -0.487 11.607 -5.611
405 HE2 LYS 56 2HE LYS 56 -2.132 12.504 -7.228
406 HE3 LYS 56 1HE LYS 56 -3.382 12.428 -5.988
407 HZ1 LYS 56 3HZ LYS 56 -1.946 13.900 -4.620
408 HZ2 LYS 56 1HZ LYS 56 -2.533 14.629 -6.034
409 HZ3 LYS 56 2HZ LYS 56 -0.925 14.087 -5.965
410 H CYS 57 H CYS 57 0.878 7.206 -4.127
411 HA CYS 57 HA CYS 57 1.005 6.732 -7.040
412 HB2 CYS 57 2HB CYS 57 3.302 5.922 -6.537
413 HB3 CYS 57 1HB CYS 57 3.009 7.554 -5.933
414 H ASN 58 H ASN 58 0.567 4.788 -4.070
415 HA ASN 58 HA ASN 58 1.104 2.297 -5.379
416 HB2 ASN 58 2HB ASN 58 -0.522 1.471 -3.419
417 HB3 ASN 58 1HB ASN 58 1.162 1.883 -3.135
418 HD21 ASN 58 1HD2 ASN 58 0.088 2.205 -0.840
419 HD22 ASN 58 2HD2 ASN 58 -0.516 3.764 -0.511
420 H LEU 59 H LEU 59 -0.218 3.061 -7.361
421 HA LEU 59 HA LEU 59 -2.980 1.953 -7.076
422 HB2 LEU 59 2HB LEU 59 -2.310 4.589 -7.791
423 HB3 LEU 59 1HB LEU 59 -2.726 3.794 -9.305
424 HG LEU 59 HG LEU 59 -4.681 4.851 -8.073
425 HD11 LEU 59 1HD1 LEU 59 -4.504 1.985 -8.925
426 HD12 LEU 59 2HD1 LEU 59 -5.389 3.318 -9.664
427 HD13 LEU 59 3HD1 LEU 59 -6.006 2.554 -8.199
428 HD21 LEU 59 3HD2 LEU 59 -5.042 4.327 -5.908
429 HD22 LEU 59 1HD2 LEU 59 -3.566 3.363 -5.927
430 HD23 LEU 59 2HD2 LEU 59 -5.112 2.615 -6.314
Start of MODEL 3
1 H1 ARG 1 1HT ARG 1 3.901 13.604 4.106
2 H2 ARG 1 2HT ARG 1 3.040 12.161 4.355
3 H3 ARG 1 3HT ARG 1 2.257 13.660 4.517
4 HA ARG 1 HA ARG 1 2.564 14.109 2.170
5 HB2 ARG 1 2HB ARG 1 4.614 12.346 2.325
6 HB3 ARG 1 1HB ARG 1 3.363 11.296 1.658
7 HG2 ARG 1 2HG ARG 1 2.995 13.478 0.107
8 HG3 ARG 1 1HG ARG 1 4.720 13.634 0.438
9 HD2 ARG 1 2HD ARG 1 4.678 11.017 -0.126
10 HD3 ARG 1 1HD ARG 1 3.264 11.488 -1.058
11 HE ARG 1 HE ARG 1 5.371 11.732 -2.427
12 HH11 ARG 1 1HH2 ARG 1 3.648 14.347 -1.479
13 HH12 ARG 1 2HH2 ARG 1 4.926 15.509 -1.620
14 HH21 ARG 1 1HH1 ARG 1 7.410 13.125 -2.012
15 HH22 ARG 1 2HH1 ARG 1 7.053 14.818 -1.923
16 H ILE 2 H ILE 2 1.578 12.060 0.439
17 HA ILE 2 HA ILE 2 -0.771 10.987 1.940
18 HB ILE 2 HB ILE 2 -1.135 12.113 -0.812
19 HG12 ILE 2 2HG1 ILE 2 -1.174 13.649 1.801
20 HG13 ILE 2 1HG1 ILE 2 -0.162 13.950 0.391
21 HG21 ILE 2 1HG2 ILE 2 -2.837 11.373 1.556
22 HG22 ILE 2 2HG2 ILE 2 -3.001 10.885 -0.131
23 HG23 ILE 2 3HG2 ILE 2 -3.447 12.519 0.361
24 HD11 ILE 2 3HD1 ILE 2 -1.804 15.083 -0.683
25 HD12 ILE 2 1HD1 ILE 2 -2.587 15.176 0.893
26 HD13 ILE 2 2HD1 ILE 2 -3.028 13.896 -0.237
27 H CYS 3 H CYS 3 -1.296 8.948 1.364
28 HA CYS 3 HA CYS 3 -0.418 8.020 -1.304
29 HB2 CYS 3 2HB CYS 3 -0.012 6.360 1.207
30 HB3 CYS 3 1HB CYS 3 0.411 5.889 -0.434
31 H TYR 4 H TYR 4 -1.609 5.891 -1.857
32 HA TYR 4 HA TYR 4 -4.395 6.359 -1.115
33 HB2 TYR 4 2HB TYR 4 -3.022 4.536 -3.064
34 HB3 TYR 4 1HB TYR 4 -4.709 4.266 -2.648
35 HD1 TYR 4 1HD TYR 4 -2.760 7.440 -3.027
36 HD2 TYR 4 2HD TYR 4 -5.992 5.002 -4.456
37 HE1 TYR 4 1HE TYR 4 -3.438 9.250 -4.578
38 HE2 TYR 4 2HE TYR 4 -6.670 6.809 -6.008
39 HH TYR 4 HH TYR 4 -4.994 9.046 -7.079
40 H ASN 5 H ASN 5 -5.773 4.774 -0.190
41 HA ASN 5 HA ASN 5 -4.377 2.755 1.504
42 HB2 ASN 5 2HB ASN 5 -5.343 4.485 2.887
43 HB3 ASN 5 1HB ASN 5 -6.870 4.408 2.010
44 HD21 ASN 5 1HD2 ASN 5 -5.217 1.401 2.693
45 HD22 ASN 5 2HD2 ASN 5 -6.294 0.875 3.891
46 H HIS 6 H HIS 6 -5.408 2.373 -1.273
47 HA HIS 6 HA HIS 6 -7.940 1.037 -1.175
48 HB2 HIS 6 2HB HIS 6 -7.666 1.040 -3.386
49 HB3 HIS 6 1HB HIS 6 -6.048 1.691 -3.174
50 HD1 HIS 6 1HD HIS 6 -4.161 -0.316 -2.705
51 HD2 HIS 6 2HD HIS 6 -7.704 -1.425 -4.600
52 HE1 HIS 6 1HE HIS 6 -3.717 -2.553 -3.802
53 H LEU 7 H LEU 7 -8.439 -0.890 -0.325
54 HA LEU 7 HA LEU 7 -6.218 -2.793 0.301
55 HB2 LEU 7 2HB LEU 7 -8.713 -2.024 1.677
56 HB3 LEU 7 1HB LEU 7 -8.408 -3.762 1.636
57 HG LEU 7 HG LEU 7 -6.234 -3.478 2.640
58 HD11 LEU 7 1HD1 LEU 7 -6.778 -0.560 2.103
59 HD12 LEU 7 2HD1 LEU 7 -5.377 -1.520 1.633
60 HD13 LEU 7 3HD1 LEU 7 -5.602 -1.056 3.319
61 HD21 LEU 7 3HD2 LEU 7 -8.020 -1.562 4.145
62 HD22 LEU 7 1HD2 LEU 7 -6.874 -2.732 4.799
63 HD23 LEU 7 2HD2 LEU 7 -8.380 -3.286 4.065
64 H GLY 8 H GLY 8 -6.188 -3.710 -1.854
65 HA2 GLY 8 2HA GLY 8 -7.061 -4.979 -3.673
66 HA3 GLY 8 1HA GLY 8 -7.525 -6.052 -2.355
67 H THR 9 H THR 9 -8.845 -2.834 -2.706
68 HA THR 9 HA THR 9 -11.479 -4.095 -3.327
69 HB THR 9 HB THR 9 -12.013 -1.534 -2.413
70 HG1 THR 9 1HG THR 9 -10.730 -1.291 -0.595
71 HG21 THR 9 3HG2 THR 9 -13.230 -3.558 -1.792
72 HG22 THR 9 1HG2 THR 9 -12.718 -2.708 -0.333
73 HG23 THR 9 2HG2 THR 9 -11.841 -4.140 -0.874
74 H LYS 10 H LYS 10 -12.196 -3.688 -5.322
75 HA LYS 10 HA LYS 10 -11.049 -2.333 -7.366
76 HB2 LYS 10 2HB LYS 10 -13.795 -3.049 -6.749
77 HB3 LYS 10 1HB LYS 10 -13.703 -1.601 -7.752
78 HG2 LYS 10 2HG LYS 10 -11.793 -3.538 -8.695
79 HG3 LYS 10 1HG LYS 10 -13.384 -4.290 -8.584
80 HD2 LYS 10 2HD LYS 10 -14.360 -2.461 -9.904
81 HD3 LYS 10 1HD LYS 10 -12.785 -1.671 -9.992
82 HE2 LYS 10 2HE LYS 10 -11.887 -3.744 -11.103
83 HE3 LYS 10 1HE LYS 10 -13.537 -4.364 -11.159
84 HZ1 LYS 10 3HZ LYS 10 -14.169 -2.360 -12.403
85 HZ2 LYS 10 1HZ LYS 10 -13.013 -3.292 -13.223
86 HZ3 LYS 10 2HZ LYS 10 -12.543 -1.868 -12.422
87 HA PRO 11 HA PRO 11 -12.765 1.926 -6.033
88 HB2 PRO 11 2HB PRO 11 -14.206 2.005 -3.693
89 HB3 PRO 11 1HB PRO 11 -14.948 1.712 -5.276
90 HG2 PRO 11 2HG PRO 11 -14.402 -0.225 -3.071
91 HG3 PRO 11 1HG PRO 11 -15.647 -0.281 -4.331
92 HD2 PRO 11 2HD PRO 11 -13.230 -1.758 -4.331
93 HD3 PRO 11 1HD PRO 11 -14.315 -1.537 -5.712
94 HA PRO 12 HA PRO 12 -9.320 1.741 -3.084
95 HB2 PRO 12 2HB PRO 12 -7.899 3.768 -4.258
96 HB3 PRO 12 1HB PRO 12 -7.885 2.103 -4.862
97 HG2 PRO 12 2HG PRO 12 -9.226 4.493 -6.001
98 HG3 PRO 12 1HG PRO 12 -8.702 3.012 -6.816
99 HD2 PRO 12 2HD PRO 12 -11.362 3.669 -6.015
100 HD3 PRO 12 1HD PRO 12 -10.796 2.109 -6.642
101 H THR 13 H THR 13 -8.845 3.030 -1.268
102 HA THR 13 HA THR 13 -10.182 5.711 -1.179
103 HB THR 13 HB THR 13 -11.326 5.000 0.630
104 HG1 THR 13 1HG THR 13 -10.242 5.114 2.462
105 HG21 THR 13 3HG2 THR 13 -11.288 2.717 -0.092
106 HG22 THR 13 1HG2 THR 13 -10.874 2.697 1.622
107 HG23 THR 13 2HG2 THR 13 -9.608 2.521 0.408
108 H THR 14 H THR 14 -8.772 7.379 -0.618
109 HA THR 14 HA THR 14 -5.969 6.556 -0.260
110 HB THR 14 HB THR 14 -5.453 8.971 -0.540
111 HG1 THR 14 1HG THR 14 -7.029 10.381 -0.647
112 HG21 THR 14 3HG2 THR 14 -7.183 8.512 -2.845
113 HG22 THR 14 1HG2 THR 14 -6.224 7.096 -2.411
114 HG23 THR 14 2HG2 THR 14 -5.427 8.630 -2.755
115 H GLU 15 H GLU 15 -4.653 7.916 1.231
116 HA GLU 15 HA GLU 15 -6.031 8.786 3.691
117 HB2 GLU 15 2HB GLU 15 -4.197 6.390 3.514
118 HB3 GLU 15 1HB GLU 15 -4.322 7.322 5.006
119 HG2 GLU 15 2HG GLU 15 -6.564 5.886 3.556
120 HG3 GLU 15 1HG GLU 15 -5.907 5.504 5.146
121 H THR 16 H THR 16 -4.283 9.728 5.223
122 HA THR 16 HA THR 16 -2.017 10.768 3.566
123 HB THR 16 HB THR 16 -2.886 12.545 5.731
124 HG1 THR 16 1HG THR 16 -4.641 12.540 3.581
125 HG21 THR 16 3HG2 THR 16 -2.074 14.074 4.284
126 HG22 THR 16 1HG2 THR 16 -3.084 13.477 2.968
127 HG23 THR 16 2HG2 THR 16 -1.541 12.698 3.318
128 H CYS 17 H CYS 17 -0.020 10.799 4.587
129 HA CYS 17 HA CYS 17 0.062 10.193 7.497
130 HB2 CYS 17 2HB CYS 17 1.261 8.230 7.291
131 HB3 CYS 17 1HB CYS 17 0.328 8.128 5.805
132 H GLN 18 H GLN 18 2.767 9.947 7.804
133 HA GLN 18 HA GLN 18 3.708 12.669 7.066
134 HB2 GLN 18 2HB GLN 18 3.950 11.970 9.425
135 HB3 GLN 18 1HB GLN 18 4.931 10.602 8.914
136 HG2 GLN 18 2HG GLN 18 6.312 12.570 9.622
137 HG3 GLN 18 1HG GLN 18 6.605 12.074 7.961
138 HE21 GLN 18 1HE2 GLN 18 5.485 13.375 6.225
139 HE22 GLN 18 2HE2 GLN 18 5.081 14.993 6.525
140 H GLU 19 H GLU 19 4.522 9.271 6.820
141 HA GLU 19 HA GLU 19 7.025 9.606 5.490
142 HB2 GLU 19 2HB GLU 19 5.301 7.267 4.808
143 HB3 GLU 19 1HB GLU 19 7.023 7.314 5.185
144 HG2 GLU 19 2HG GLU 19 6.036 8.145 7.557
145 HG3 GLU 19 1HG GLU 19 4.693 7.132 7.021
146 H ASP 20 H ASP 20 7.488 9.995 3.389
147 HA ASP 20 HA ASP 20 5.244 10.671 1.610
148 HB2 ASP 20 2HB ASP 20 7.734 10.824 0.205
149 HB3 ASP 20 1HB ASP 20 6.689 12.146 0.714
150 H SER 21 H SER 21 6.703 7.902 2.475
151 HA SER 21 HA SER 21 7.034 6.686 -0.159
152 HB2 SER 21 2HB SER 21 6.732 4.707 1.845
153 HB3 SER 21 1HB SER 21 8.232 5.243 1.104
154 HG SER 21 HG SER 21 8.082 5.479 3.446
155 H CYS 22 H CYS 22 5.609 4.913 -0.868
156 HA CYS 22 HA CYS 22 2.977 4.772 0.493
157 HB2 CYS 22 2HB CYS 22 3.223 5.131 -2.502
158 HB3 CYS 22 1HB CYS 22 1.742 5.077 -1.561
159 H TYR 23 H TYR 23 2.652 2.598 0.784
160 HA TYR 23 HA TYR 23 4.333 0.820 -0.888
161 HB2 TYR 23 2HB TYR 23 4.046 -0.860 0.832
162 HB3 TYR 23 1HB TYR 23 4.551 0.643 1.581
163 HD1 TYR 23 1HD TYR 23 1.430 -1.235 0.656
164 HD2 TYR 23 2HD TYR 23 3.302 1.472 3.417
165 HE1 TYR 23 1HE TYR 23 -0.592 -1.288 2.081
166 HE2 TYR 23 2HE TYR 23 1.278 1.418 4.837
167 HH TYR 23 HH TYR 23 -1.646 0.388 3.836
168 H LYS 24 H LYS 24 3.584 -0.986 -1.795
169 HA LYS 24 HA LYS 24 0.646 -1.513 -1.814
170 HB2 LYS 24 2HB LYS 24 2.011 -0.340 -4.011
171 HB3 LYS 24 1HB LYS 24 1.583 -1.991 -4.436
172 HG2 LYS 24 2HG LYS 24 -0.680 -1.344 -3.276
173 HG3 LYS 24 1HG LYS 24 -0.191 0.284 -3.760
174 HD2 LYS 24 2HD LYS 24 -0.561 -2.130 -5.541
175 HD3 LYS 24 1HD LYS 24 -1.465 -0.620 -5.591
176 HE2 LYS 24 2HE LYS 24 0.478 0.603 -6.333
177 HE3 LYS 24 1HE LYS 24 1.515 -0.801 -6.085
178 HZ1 LYS 24 3HZ LYS 24 1.076 -1.374 -8.166
179 HZ2 LYS 24 1HZ LYS 24 -0.066 -0.131 -8.337
180 HZ3 LYS 24 2HZ LYS 24 -0.542 -1.643 -7.724
181 H ASN 25 H ASN 25 0.884 -3.486 -0.758
182 HA ASN 25 HA ASN 25 2.745 -5.440 -2.049
183 HB2 ASN 25 2HB ASN 25 1.902 -6.369 0.526
184 HB3 ASN 25 1HB ASN 25 3.518 -5.920 0.012
185 HD21 ASN 25 1HD2 ASN 25 3.219 -3.111 -0.357
186 HD22 ASN 25 2HD2 ASN 25 2.807 -2.410 1.126
187 H ILE 26 H ILE 26 1.991 -7.794 -1.588
188 HA ILE 26 HA ILE 26 -0.961 -7.977 -2.002
189 HB ILE 26 HB ILE 26 -0.641 -9.639 -3.716
190 HG12 ILE 26 2HG1 ILE 26 1.451 -10.582 -2.560
191 HG13 ILE 26 1HG1 ILE 26 1.471 -10.554 -4.323
192 HG21 ILE 26 1HG2 ILE 26 0.623 -8.323 -5.412
193 HG22 ILE 26 2HG2 ILE 26 1.220 -7.281 -4.120
194 HG23 ILE 26 3HG2 ILE 26 -0.504 -7.330 -4.490
195 HD11 ILE 26 3HD1 ILE 26 3.324 -9.332 -2.539
196 HD12 ILE 26 1HD1 ILE 26 2.457 -8.036 -3.363
197 HD13 ILE 26 2HD1 ILE 26 3.309 -9.261 -4.301
198 H TRP 27 H TRP 27 1.651 -8.879 -0.129
199 HA TRP 27 HA TRP 27 0.860 -11.626 0.452
200 HB2 TRP 27 2HB TRP 27 2.512 -9.921 2.293
201 HB3 TRP 27 1HB TRP 27 2.638 -11.653 1.982
202 HD1 TRP 27 HD TRP 27 3.619 -8.267 0.556
203 HE1 TRP 27 1HE TRP 27 5.341 -8.619 -1.323
204 HE3 TRP 27 3HE TRP 27 3.477 -13.357 0.165
205 HZ2 TRP 27 2HZ TRP 27 6.509 -10.771 -2.804
206 HZ3 TRP 27 3HZ TRP 27 4.905 -14.531 -1.486
207 HH2 TRP 27 HH TRP 27 6.420 -13.247 -2.969
208 H THR 28 H THR 28 -0.832 -12.160 1.731
209 HA THR 28 HA THR 28 -1.413 -10.609 4.142
210 HB THR 28 HB THR 28 -2.554 -9.430 2.164
211 HG1 THR 28 1HG THR 28 -3.247 -9.052 4.247
212 HG21 THR 28 3HG2 THR 28 -3.435 -12.064 1.689
213 HG22 THR 28 1HG2 THR 28 -3.943 -10.603 0.849
214 HG23 THR 28 2HG2 THR 28 -4.855 -11.177 2.243
215 H PHE 29 H PHE 29 -3.645 -11.601 5.058
216 HA PHE 29 HA PHE 29 -3.398 -14.560 4.711
217 HB2 PHE 29 2HB PHE 29 -4.109 -12.867 7.113
218 HB3 PHE 29 1HB PHE 29 -4.442 -14.599 7.053
219 HD1 PHE 29 2HD PHE 29 -2.477 -16.170 6.469
220 HD2 PHE 29 1HD PHE 29 -1.966 -12.089 7.705
221 HE1 PHE 29 2HE PHE 29 -0.119 -16.649 7.075
222 HE2 PHE 29 1HE PHE 29 0.392 -12.567 8.309
223 HZ PHE 29 HZ PHE 29 1.315 -14.846 7.995
224 H ASP 30 H ASP 30 -5.526 -11.819 4.592
225 HA ASP 30 HA ASP 30 -7.737 -13.664 3.817
226 HB2 ASP 30 2HB ASP 30 -9.198 -11.718 4.919
227 HB3 ASP 30 1HB ASP 30 -8.605 -13.077 5.873
228 H ASN 31 H ASN 31 -6.315 -10.423 3.625
229 HA ASN 31 HA ASN 31 -8.148 -9.672 1.440
230 HB2 ASN 31 2HB ASN 31 -5.740 -8.087 2.314
231 HB3 ASN 31 1HB ASN 31 -7.256 -7.502 1.633
232 HD21 ASN 31 1HD2 ASN 31 -5.659 -8.475 4.603
233 HD22 ASN 31 2HD2 ASN 31 -6.950 -8.113 5.641
234 H ILE 32 H ILE 32 -5.846 -8.085 0.205
235 HA ILE 32 HA ILE 32 -4.070 -10.115 -0.917
236 HB ILE 32 HB ILE 32 -5.286 -8.905 -3.213
237 HG12 ILE 32 2HG1 ILE 32 -7.520 -9.988 -3.085
238 HG13 ILE 32 1HG1 ILE 32 -7.214 -10.394 -1.400
239 HG21 ILE 32 1HG2 ILE 32 -4.113 -11.279 -2.477
240 HG22 ILE 32 2HG2 ILE 32 -4.898 -10.972 -4.026
241 HG23 ILE 32 3HG2 ILE 32 -5.795 -11.748 -2.722
242 HD11 ILE 32 3HD1 ILE 32 -6.662 -7.690 -1.470
243 HD12 ILE 32 1HD1 ILE 32 -8.184 -8.399 -0.933
244 HD13 ILE 32 2HD1 ILE 32 -8.014 -7.833 -2.594
245 H ILE 33 H ILE 33 -5.251 -7.218 -2.583
246 HA ILE 33 HA ILE 33 -2.516 -6.133 -2.602
247 HB ILE 33 HB ILE 33 -4.681 -4.335 -3.483
248 HG12 ILE 33 2HG1 ILE 33 -5.711 -6.466 -4.084
249 HG13 ILE 33 1HG1 ILE 33 -5.173 -5.622 -5.529
250 HG21 ILE 33 1HG2 ILE 33 -2.067 -4.358 -3.880
251 HG22 ILE 33 2HG2 ILE 33 -3.161 -3.781 -5.138
252 HG23 ILE 33 3HG2 ILE 33 -2.498 -5.413 -5.226
253 HD11 ILE 33 3HD1 ILE 33 -4.550 -7.999 -5.634
254 HD12 ILE 33 1HD1 ILE 33 -3.662 -7.839 -4.120
255 HD13 ILE 33 2HD1 ILE 33 -3.115 -6.977 -5.556
256 H ARG 34 H ARG 34 -1.804 -4.409 -1.357
257 HA ARG 34 HA ARG 34 -3.828 -2.905 0.170
258 HB2 ARG 34 2HB ARG 34 -3.057 -4.915 1.557
259 HB3 ARG 34 1HB ARG 34 -1.511 -4.066 1.680
260 HG2 ARG 34 2HG ARG 34 -2.510 -2.182 2.729
261 HG3 ARG 34 1HG ARG 34 -4.134 -2.715 2.309
262 HD2 ARG 34 2HD ARG 34 -4.157 -3.522 4.425
263 HD3 ARG 34 1HD ARG 34 -3.257 -4.863 3.715
264 HE ARG 34 HE ARG 34 -1.393 -2.846 4.448
265 HH11 ARG 34 1HH1 ARG 34 -3.838 -4.681 6.014
266 HH12 ARG 34 2HH1 ARG 34 -2.874 -5.033 7.410
267 HH21 ARG 34 1HH2 ARG 34 -0.041 -3.457 6.179
268 HH22 ARG 34 2HH2 ARG 34 -0.725 -4.340 7.504
269 H ARG 35 H ARG 35 -3.298 -0.990 -0.577
270 HA ARG 35 HA ARG 35 -0.467 -0.206 -0.521
271 HB2 ARG 35 2HB ARG 35 -0.843 1.248 -2.316
272 HB3 ARG 35 1HB ARG 35 -1.885 -0.121 -2.683
273 HG2 ARG 35 2HG ARG 35 -3.760 1.078 -1.553
274 HG3 ARG 35 1HG ARG 35 -2.712 2.483 -1.409
275 HD2 ARG 35 2HD ARG 35 -4.328 2.342 -3.451
276 HD3 ARG 35 1HD ARG 35 -2.668 2.858 -3.721
277 HE ARG 35 HE ARG 35 -2.298 0.340 -4.304
278 HH11 ARG 35 1HH1 ARG 35 -4.813 2.473 -5.218
279 HH12 ARG 35 2HH1 ARG 35 -5.496 1.391 -6.383
280 HH21 ARG 35 1HH2 ARG 35 -3.324 -1.206 -5.651
281 HH22 ARG 35 2HH2 ARG 35 -4.654 -0.686 -6.631
282 H GLY 36 H GLY 36 0.188 1.253 0.940
283 HA2 GLY 36 2HA GLY 36 -1.832 3.098 2.124
284 HA3 GLY 36 1HA GLY 36 -0.801 2.142 3.181
285 H CYS 37 H CYS 37 0.141 4.045 4.042
286 HA CYS 37 HA CYS 37 1.873 5.598 2.174
287 HB2 CYS 37 2HB CYS 37 0.064 6.745 3.601
288 HB3 CYS 37 1HB CYS 37 1.092 6.381 4.985
289 H GLY 38 H GLY 38 4.053 5.194 2.358
290 HA2 GLY 38 2HA GLY 38 6.107 4.872 3.573
291 HA3 GLY 38 1HA GLY 38 5.159 4.377 4.977
292 H CYS 39 H CYS 39 6.544 2.423 5.008
293 HA CYS 39 HA CYS 39 5.703 0.457 2.914
294 HB2 CYS 39 2HB CYS 39 8.218 0.497 4.572
295 HB3 CYS 39 1HB CYS 39 7.747 -0.837 3.538
296 H PHE 40 H PHE 40 5.403 -1.769 3.703
297 HA PHE 40 HA PHE 40 3.775 -1.818 6.069
298 HB2 PHE 40 2HB PHE 40 3.919 -4.341 5.776
299 HB3 PHE 40 1HB PHE 40 3.297 -3.448 4.397
300 HD1 PHE 40 1HD PHE 40 6.794 -2.854 4.736
301 HD2 PHE 40 2HD PHE 40 3.954 -5.743 3.310
302 HE1 PHE 40 1HE PHE 40 8.537 -3.851 3.307
303 HE2 PHE 40 2HE PHE 40 5.710 -6.749 1.882
304 HZ PHE 40 HZ PHE 40 8.002 -5.802 1.878
305 H THR 41 H THR 41 4.274 -3.478 7.896
306 HA THR 41 HA THR 41 6.747 -2.607 9.128
307 HB THR 41 HB THR 41 5.044 -4.799 10.253
308 HG1 THR 41 1HG THR 41 3.467 -3.440 10.631
309 HG21 THR 41 3HG2 THR 41 7.013 -4.186 11.510
310 HG22 THR 41 1HG2 THR 41 5.606 -3.535 12.350
311 HG23 THR 41 2HG2 THR 41 6.619 -2.472 11.372
312 HA PRO 42 HA PRO 42 8.012 -7.167 8.758
313 HB2 PRO 42 2HB PRO 42 6.495 -8.803 7.151
314 HB3 PRO 42 1HB PRO 42 6.192 -8.562 8.880
315 HG2 PRO 42 2HG PRO 42 4.651 -7.546 6.559
316 HG3 PRO 42 1HG PRO 42 4.137 -7.749 8.241
317 HD2 PRO 42 2HD PRO 42 4.922 -5.319 6.943
318 HD3 PRO 42 1HD PRO 42 4.506 -5.520 8.658
319 H ARG 43 H ARG 43 8.738 -5.067 7.006
320 HA ARG 43 HA ARG 43 8.822 -5.855 4.255
321 HB2 ARG 43 2HB ARG 43 10.678 -4.235 4.052
322 HB3 ARG 43 1HB ARG 43 9.343 -3.564 4.977
323 HG2 ARG 43 2HG ARG 43 10.489 -4.141 7.081
324 HG3 ARG 43 1HG ARG 43 11.830 -4.821 6.158
325 HD2 ARG 43 2HD ARG 43 12.672 -2.770 5.625
326 HD3 ARG 43 1HD ARG 43 11.071 -2.057 5.422
327 HE ARG 43 HE ARG 43 11.758 -2.650 8.205
328 HH11 ARG 43 1HH2 ARG 43 10.206 -0.376 6.559
329 HH12 ARG 43 2HH2 ARG 43 11.085 0.998 7.141
330 HH21 ARG 43 1HH1 ARG 43 13.626 -0.893 8.554
331 HH22 ARG 43 2HH1 ARG 43 13.021 0.706 8.273
332 H GLY 44 H GLY 44 10.906 -6.410 3.107
333 HA2 GLY 44 2HA GLY 44 13.171 -7.506 4.217
334 HA3 GLY 44 1HA GLY 44 11.988 -8.809 4.295
335 H ASP 45 H ASP 45 13.386 -9.967 2.749
336 HA ASP 45 HA ASP 45 13.503 -8.842 0.010
337 HB2 ASP 45 2HB ASP 45 15.470 -10.036 1.096
338 HB3 ASP 45 1HB ASP 45 14.532 -11.524 0.970
339 H MET 46 H MET 46 11.925 -11.417 1.833
340 HA MET 46 HA MET 46 10.900 -12.982 -0.250
341 HB2 MET 46 2HB MET 46 10.452 -12.744 2.511
342 HB3 MET 46 1HB MET 46 8.867 -12.552 1.762
343 HG2 MET 46 2HG MET 46 8.811 -14.708 1.030
344 HG3 MET 46 1HG MET 46 10.526 -14.712 0.615
345 HE1 MET 46 3HE MET 46 10.848 -17.625 2.934
346 HE2 MET 46 1HE MET 46 11.507 -16.767 1.533
347 HE3 MET 46 2HE MET 46 9.818 -17.270 1.548
348 HA PRO 47 HA PRO 47 7.229 -9.979 -0.669
349 HB2 PRO 47 2HB PRO 47 7.308 -7.657 0.792
350 HB3 PRO 47 1HB PRO 47 6.593 -9.167 1.380
351 HG2 PRO 47 2HG PRO 47 9.155 -7.880 2.167
352 HG3 PRO 47 1HG PRO 47 8.156 -9.032 3.069
353 HD2 PRO 47 2HD PRO 47 10.548 -9.615 1.627
354 HD3 PRO 47 1HD PRO 47 9.442 -10.793 2.357
355 H GLY 48 H GLY 48 6.920 -8.263 -2.136
356 HA2 GLY 48 2HA GLY 48 9.128 -6.419 -2.703
357 HA3 GLY 48 1HA GLY 48 8.673 -7.522 -4.003
358 HA PRO 49 HA PRO 49 4.732 -4.909 -3.100
359 HB2 PRO 49 2HB PRO 49 4.980 -2.960 -1.174
360 HB3 PRO 49 1HB PRO 49 4.435 -4.607 -0.839
361 HG2 PRO 49 2HG PRO 49 7.093 -3.362 -0.295
362 HG3 PRO 49 1HG PRO 49 6.245 -4.641 0.582
363 HD2 PRO 49 2HD PRO 49 8.359 -5.080 -1.197
364 HD3 PRO 49 1HD PRO 49 7.183 -6.310 -0.692
365 H TYR 50 H TYR 50 4.304 -2.249 -2.942
366 HA TYR 50 HA TYR 50 6.382 -1.094 -4.742
367 HB2 TYR 50 2HB TYR 50 3.621 -1.475 -5.203
368 HB3 TYR 50 1HB TYR 50 3.842 0.259 -4.948
369 HD1 TYR 50 1HD TYR 50 5.756 -2.528 -6.597
370 HD2 TYR 50 2HD TYR 50 4.243 1.483 -6.886
371 HE1 TYR 50 1HE TYR 50 6.748 -2.316 -8.861
372 HE2 TYR 50 2HE TYR 50 5.235 1.695 -9.149
373 HH TYR 50 HH TYR 50 6.621 -1.051 -10.809
374 H CYS 51 H CYS 51 7.457 -0.316 -2.802
375 HA CYS 51 HA CYS 51 6.089 1.731 -1.132
376 HB2 CYS 51 2HB CYS 51 8.801 0.424 -1.204
377 HB3 CYS 51 1HB CYS 51 8.607 1.984 -0.402
378 H CYS 52 H CYS 52 5.846 3.688 -2.256
379 HA CYS 52 HA CYS 52 8.230 4.617 -3.818
380 HB2 CYS 52 2HB CYS 52 5.698 5.869 -4.597
381 HB3 CYS 52 1HB CYS 52 6.974 5.203 -5.605
382 H GLU 53 H GLU 53 8.947 6.658 -3.379
383 HA GLU 53 HA GLU 53 7.665 8.032 -1.124
384 HB2 GLU 53 2HB GLU 53 9.997 9.206 -2.578
385 HB3 GLU 53 1HB GLU 53 9.640 9.192 -0.850
386 HG2 GLU 53 2HG GLU 53 10.099 6.739 -0.813
387 HG3 GLU 53 1HG GLU 53 10.573 6.833 -2.509
388 H SER 54 H SER 54 6.040 7.948 -3.378
389 HA SER 54 HA SER 54 5.972 10.822 -4.154
390 HB2 SER 54 2HB SER 54 4.810 9.209 -6.220
391 HB3 SER 54 1HB SER 54 6.193 10.293 -6.334
392 HG SER 54 HG SER 54 7.086 8.380 -6.751
393 H ASP 55 H ASP 55 3.798 11.619 -4.448
394 HA ASP 55 HA ASP 55 1.886 10.371 -2.696
395 HB2 ASP 55 2HB ASP 55 1.338 12.506 -4.772
396 HB3 ASP 55 1HB ASP 55 0.408 12.170 -3.312
397 H LYS 56 H LYS 56 -0.228 9.599 -3.303
398 HA LYS 56 HA LYS 56 -1.444 7.918 -4.425
399 HB2 LYS 56 2HB LYS 56 -2.373 8.736 -6.476
400 HB3 LYS 56 1HB LYS 56 -2.071 10.147 -5.462
401 HG2 LYS 56 2HG LYS 56 0.021 10.591 -6.637
402 HG3 LYS 56 1HG LYS 56 -0.185 9.134 -7.608
403 HD2 LYS 56 2HD LYS 56 -2.410 10.140 -8.378
404 HD3 LYS 56 1HD LYS 56 -1.860 11.651 -7.654
405 HE2 LYS 56 2HE LYS 56 0.227 10.474 -9.291
406 HE3 LYS 56 1HE LYS 56 -1.247 10.707 -10.226
407 HZ1 LYS 56 3HZ LYS 56 -1.295 13.012 -9.228
408 HZ2 LYS 56 1HZ LYS 56 -0.086 12.716 -10.381
409 HZ3 LYS 56 2HZ LYS 56 0.304 12.730 -8.727
410 H CYS 57 H CYS 57 1.611 7.558 -4.595
411 HA CYS 57 HA CYS 57 2.327 6.655 -7.189
412 HB2 CYS 57 2HB CYS 57 4.249 6.028 -6.159
413 HB3 CYS 57 1HB CYS 57 3.538 6.645 -4.674
414 H ASN 58 H ASN 58 0.669 4.949 -4.564
415 HA ASN 58 HA ASN 58 0.451 2.505 -6.108
416 HB2 ASN 58 2HB ASN 58 -1.074 1.880 -4.102
417 HB3 ASN 58 1HB ASN 58 0.649 2.105 -3.811
418 HD21 ASN 58 1HD2 ASN 58 0.050 2.658 -1.499
419 HD22 ASN 58 2HD2 ASN 58 -0.585 4.197 -1.146
420 H LEU 59 H LEU 59 -0.869 4.955 -7.228
421 HA LEU 59 HA LEU 59 -3.677 3.931 -7.219
422 HB2 LEU 59 2HB LEU 59 -3.361 6.294 -6.397
423 HB3 LEU 59 1HB LEU 59 -2.754 6.712 -7.999
424 HG LEU 59 HG LEU 59 -5.241 7.153 -7.596
425 HD11 LEU 59 1HD1 LEU 59 -5.704 6.780 -9.836
426 HD12 LEU 59 2HD1 LEU 59 -4.932 5.194 -9.840
427 HD13 LEU 59 3HD1 LEU 59 -3.945 6.655 -9.853
428 HD21 LEU 59 3HD2 LEU 59 -5.704 4.257 -8.153
429 HD22 LEU 59 1HD2 LEU 59 -6.713 5.404 -7.272
430 HD23 LEU 59 2HD2 LEU 59 -5.295 4.700 -6.497
Start of MODEL 4
1 H1 ARG 1 1HT ARG 1 2.644 12.761 4.380
2 H2 ARG 1 2HT ARG 1 3.882 12.823 3.218
3 H3 ARG 1 3HT ARG 1 2.741 11.563 3.185
4 HA ARG 1 HA ARG 1 1.756 14.306 3.015
5 HB2 ARG 1 2HB ARG 1 2.071 13.866 0.397
6 HB3 ARG 1 1HB ARG 1 3.328 14.641 1.353
7 HG2 ARG 1 2HG ARG 1 4.753 12.924 1.052
8 HG3 ARG 1 1HG ARG 1 3.524 11.743 1.498
9 HD2 ARG 1 2HD ARG 1 2.543 12.160 -0.850
10 HD3 ARG 1 1HD ARG 1 4.104 12.893 -1.224
11 HE ARG 1 HE ARG 1 5.022 10.740 -1.247
12 HH11 ARG 1 1HH2 ARG 1 2.000 10.834 0.412
13 HH12 ARG 1 2HH2 ARG 1 1.965 9.132 0.715
14 HH21 ARG 1 1HH1 ARG 1 4.994 8.522 -0.837
15 HH22 ARG 1 2HH1 ARG 1 3.664 7.839 0.036
16 H ILE 2 H ILE 2 1.059 12.461 0.228
17 HA ILE 2 HA ILE 2 -1.244 11.146 1.618
18 HB ILE 2 HB ILE 2 -1.511 12.526 -1.052
19 HG12 ILE 2 2HG1 ILE 2 -2.855 13.798 1.194
20 HG13 ILE 2 1HG1 ILE 2 -1.107 13.755 1.403
21 HG21 ILE 2 1HG2 ILE 2 -3.793 12.083 0.794
22 HG22 ILE 2 2HG2 ILE 2 -3.068 10.625 0.120
23 HG23 ILE 2 3HG2 ILE 2 -3.702 11.870 -0.955
24 HD11 ILE 2 3HD1 ILE 2 -0.706 15.120 -0.398
25 HD12 ILE 2 1HD1 ILE 2 -2.321 15.702 0.009
26 HD13 ILE 2 2HD1 ILE 2 -2.108 14.524 -1.288
27 H CYS 3 H CYS 3 -1.498 9.066 1.033
28 HA CYS 3 HA CYS 3 -0.589 8.308 -1.678
29 HB2 CYS 3 2HB CYS 3 0.993 7.596 0.297
30 HB3 CYS 3 1HB CYS 3 -0.248 6.380 0.604
31 H TYR 4 H TYR 4 -1.564 5.818 -2.013
32 HA TYR 4 HA TYR 4 -4.442 6.234 -1.595
33 HB2 TYR 4 2HB TYR 4 -2.858 4.088 -3.023
34 HB3 TYR 4 1HB TYR 4 -4.567 3.894 -2.700
35 HD1 TYR 4 1HD TYR 4 -2.054 5.864 -4.549
36 HD2 TYR 4 2HD TYR 4 -6.239 5.214 -3.839
37 HE1 TYR 4 1HE TYR 4 -2.602 7.208 -6.556
38 HE2 TYR 4 2HE TYR 4 -6.787 6.569 -5.843
39 HH TYR 4 HH TYR 4 -4.211 8.073 -7.803
40 H ASN 5 H ASN 5 -5.740 4.910 -0.315
41 HA ASN 5 HA ASN 5 -4.310 3.242 1.694
42 HB2 ASN 5 2HB ASN 5 -5.375 5.055 2.823
43 HB3 ASN 5 1HB ASN 5 -6.831 4.906 1.846
44 HD21 ASN 5 1HD2 ASN 5 -5.110 2.118 3.196
45 HD22 ASN 5 2HD2 ASN 5 -6.334 1.673 4.276
46 H HIS 6 H HIS 6 -6.718 3.425 -0.771
47 HA HIS 6 HA HIS 6 -8.384 1.301 -0.080
48 HB2 HIS 6 2HB HIS 6 -9.281 1.568 -2.178
49 HB3 HIS 6 1HB HIS 6 -8.296 3.023 -2.149
50 HD1 HIS 6 1HD HIS 6 -6.443 3.205 -3.848
51 HD2 HIS 6 2HD HIS 6 -7.979 -0.663 -3.612
52 HE1 HIS 6 1HE HIS 6 -5.368 1.892 -5.727
53 H LEU 7 H LEU 7 -8.151 -0.842 0.041
54 HA LEU 7 HA LEU 7 -5.593 -2.020 -0.938
55 HB2 LEU 7 2HB LEU 7 -6.480 -3.975 0.592
56 HB3 LEU 7 1HB LEU 7 -5.734 -2.558 1.327
57 HG LEU 7 HG LEU 7 -8.672 -2.456 0.818
58 HD11 LEU 7 1HD1 LEU 7 -7.574 -4.655 2.152
59 HD12 LEU 7 2HD1 LEU 7 -9.245 -4.096 2.257
60 HD13 LEU 7 3HD1 LEU 7 -8.058 -3.555 3.444
61 HD21 LEU 7 3HD2 LEU 7 -8.561 -1.224 2.991
62 HD22 LEU 7 1HD2 LEU 7 -7.514 -0.520 1.760
63 HD23 LEU 7 2HD2 LEU 7 -6.824 -1.521 3.036
64 H GLY 8 H GLY 8 -5.797 -4.288 -1.778
65 HA2 GLY 8 2HA GLY 8 -6.597 -5.583 -3.587
66 HA3 GLY 8 1HA GLY 8 -8.024 -5.682 -2.558
67 H THR 9 H THR 9 -9.635 -5.517 -4.113
68 HA THR 9 HA THR 9 -9.592 -3.056 -5.814
69 HB THR 9 HB THR 9 -11.304 -5.422 -6.491
70 HG1 THR 9 1HG THR 9 -8.604 -5.182 -7.293
71 HG21 THR 9 3HG2 THR 9 -11.678 -3.647 -7.952
72 HG22 THR 9 1HG2 THR 9 -10.429 -4.549 -8.812
73 HG23 THR 9 2HG2 THR 9 -10.001 -3.109 -7.889
74 H LYS 10 H LYS 10 -10.875 -4.088 -3.045
75 HA LYS 10 HA LYS 10 -13.684 -3.871 -3.278
76 HB2 LYS 10 2HB LYS 10 -11.723 -3.914 -1.184
77 HB3 LYS 10 1HB LYS 10 -12.868 -2.632 -0.837
78 HG2 LYS 10 2HG LYS 10 -14.558 -4.081 -0.428
79 HG3 LYS 10 1HG LYS 10 -14.132 -5.096 -1.807
80 HD2 LYS 10 2HD LYS 10 -12.571 -6.336 -0.583
81 HD3 LYS 10 1HD LYS 10 -12.374 -5.071 0.631
82 HE2 LYS 10 2HE LYS 10 -15.057 -6.369 0.295
83 HE3 LYS 10 1HE LYS 10 -13.798 -7.214 1.195
84 HZ1 LYS 10 3HZ LYS 10 -13.531 -5.019 2.432
85 HZ2 LYS 10 1HZ LYS 10 -14.896 -5.958 2.790
86 HZ3 LYS 10 2HZ LYS 10 -15.042 -4.601 1.779
87 HA PRO 11 HA PRO 11 -14.337 0.503 -3.757
88 HB2 PRO 11 2HB PRO 11 -16.230 1.137 -1.891
89 HB3 PRO 11 1HB PRO 11 -16.538 0.115 -3.304
90 HG2 PRO 11 2HG PRO 11 -16.370 -0.663 -0.456
91 HG3 PRO 11 1HG PRO 11 -17.076 -1.551 -1.814
92 HD2 PRO 11 2HD PRO 11 -14.489 -1.951 -0.578
93 HD3 PRO 11 1HD PRO 11 -15.217 -2.878 -1.909
94 HA PRO 12 HA PRO 12 -12.588 2.408 0.323
95 HB2 PRO 12 2HB PRO 12 -9.928 1.780 0.405
96 HB3 PRO 12 1HB PRO 12 -11.174 0.878 1.274
97 HG2 PRO 12 2HG PRO 12 -9.695 0.088 -1.196
98 HG3 PRO 12 1HG PRO 12 -10.459 -0.929 0.031
99 HD2 PRO 12 2HD PRO 12 -11.506 -0.295 -2.509
100 HD3 PRO 12 1HD PRO 12 -12.379 -1.054 -1.170
101 H THR 13 H THR 13 -10.391 3.981 0.328
102 HA THR 13 HA THR 13 -9.931 4.910 -2.469
103 HB THR 13 HB THR 13 -11.941 6.081 -1.451
104 HG1 THR 13 1HG THR 13 -11.190 8.108 -2.158
105 HG21 THR 13 3HG2 THR 13 -11.658 7.553 0.362
106 HG22 THR 13 1HG2 THR 13 -9.902 7.571 0.189
107 HG23 THR 13 2HG2 THR 13 -10.710 6.143 0.835
108 H THR 14 H THR 14 -8.776 7.388 -1.748
109 HA THR 14 HA THR 14 -6.130 6.517 -0.870
110 HB THR 14 HB THR 14 -5.603 9.000 -1.163
111 HG1 THR 14 1HG THR 14 -7.173 10.275 -1.767
112 HG21 THR 14 3HG2 THR 14 -5.811 8.827 -3.668
113 HG22 THR 14 1HG2 THR 14 -6.700 7.325 -3.418
114 HG23 THR 14 2HG2 THR 14 -5.021 7.455 -2.891
115 H GLU 15 H GLU 15 -4.962 7.767 0.812
116 HA GLU 15 HA GLU 15 -6.581 9.172 2.801
117 HB2 GLU 15 2HB GLU 15 -6.668 7.625 4.471
118 HB3 GLU 15 1HB GLU 15 -6.536 6.478 3.147
119 HG2 GLU 15 2HG GLU 15 -4.168 6.215 3.505
120 HG3 GLU 15 1HG GLU 15 -4.129 7.571 4.632
121 H THR 16 H THR 16 -5.335 10.696 3.783
122 HA THR 16 HA THR 16 -2.574 10.978 2.930
123 HB THR 16 HB THR 16 -3.868 12.513 5.184
124 HG1 THR 16 1HG THR 16 -4.083 13.206 2.461
125 HG21 THR 16 3HG2 THR 16 -1.952 13.375 3.010
126 HG22 THR 16 1HG2 THR 16 -1.447 12.842 4.613
127 HG23 THR 16 2HG2 THR 16 -2.427 14.298 4.436
128 H CYS 17 H CYS 17 -0.723 10.845 4.250
129 HA CYS 17 HA CYS 17 -1.055 9.679 6.963
130 HB2 CYS 17 2HB CYS 17 0.977 8.524 5.067
131 HB3 CYS 17 1HB CYS 17 0.333 7.823 6.550
132 H GLN 18 H GLN 18 1.558 9.312 7.639
133 HA GLN 18 HA GLN 18 2.589 12.086 7.503
134 HB2 GLN 18 2HB GLN 18 2.430 10.976 9.709
135 HB3 GLN 18 1HB GLN 18 3.554 9.742 9.154
136 HG2 GLN 18 2HG GLN 18 4.681 11.589 10.430
137 HG3 GLN 18 1HG GLN 18 5.289 11.394 8.791
138 HE21 GLN 18 1HE2 GLN 18 4.474 12.955 7.127
139 HE22 GLN 18 2HE2 GLN 18 3.912 14.483 7.605
140 H GLU 19 H GLU 19 3.630 8.764 6.880
141 HA GLU 19 HA GLU 19 6.276 9.474 6.047
142 HB2 GLU 19 2HB GLU 19 4.974 7.113 4.810
143 HB3 GLU 19 1HB GLU 19 6.578 7.262 5.515
144 HG2 GLU 19 2HG GLU 19 5.687 6.139 7.278
145 HG3 GLU 19 1HG GLU 19 4.984 7.699 7.704
146 H ASP 20 H ASP 20 7.036 10.181 4.130
147 HA ASP 20 HA ASP 20 5.074 10.931 2.072
148 HB2 ASP 20 2HB ASP 20 7.761 11.307 1.139
149 HB3 ASP 20 1HB ASP 20 6.563 12.531 1.539
150 H SER 21 H SER 21 6.541 8.144 2.885
151 HA SER 21 HA SER 21 7.321 7.287 0.201
152 HB2 SER 21 2HB SER 21 6.952 5.067 1.969
153 HB3 SER 21 1HB SER 21 8.469 5.740 1.386
154 HG SER 21 HG SER 21 8.384 5.855 3.637
155 H CYS 22 H CYS 22 6.158 5.123 -0.544
156 HA CYS 22 HA CYS 22 3.243 5.241 0.131
157 HB2 CYS 22 2HB CYS 22 4.626 5.585 -2.481
158 HB3 CYS 22 1HB CYS 22 3.210 4.536 -2.491
159 H TYR 23 H TYR 23 2.657 3.122 0.769
160 HA TYR 23 HA TYR 23 4.402 0.998 -0.369
161 HB2 TYR 23 2HB TYR 23 4.459 -0.191 1.597
162 HB3 TYR 23 1HB TYR 23 4.424 1.437 2.218
163 HD1 TYR 23 2HD TYR 23 2.101 2.431 2.850
164 HD2 TYR 23 1HD TYR 23 2.852 -1.739 2.202
165 HE1 TYR 23 2HE TYR 23 0.058 1.857 4.132
166 HE2 TYR 23 1HE TYR 23 0.808 -2.314 3.476
167 HH TYR 23 HH TYR 23 -1.379 0.215 4.670
168 H LYS 24 H LYS 24 3.538 -0.330 -1.650
169 HA LYS 24 HA LYS 24 0.692 -1.078 -1.323
170 HB2 LYS 24 2HB LYS 24 0.236 -0.897 -3.667
171 HB3 LYS 24 1HB LYS 24 0.954 0.633 -3.171
172 HG2 LYS 24 2HG LYS 24 2.564 -1.633 -4.349
173 HG3 LYS 24 1HG LYS 24 1.866 -0.338 -5.297
174 HD2 LYS 24 2HD LYS 24 3.135 0.955 -3.161
175 HD3 LYS 24 1HD LYS 24 4.261 -0.299 -3.676
176 HE2 LYS 24 2HE LYS 24 3.947 0.500 -6.043
177 HE3 LYS 24 1HE LYS 24 3.012 1.850 -5.403
178 HZ1 LYS 24 3HZ LYS 24 5.611 1.991 -5.782
179 HZ2 LYS 24 1HZ LYS 24 5.627 1.356 -4.209
180 HZ3 LYS 24 2HZ LYS 24 4.834 2.826 -4.523
181 H ASN 25 H ASN 25 0.636 -3.170 -1.051
182 HA ASN 25 HA ASN 25 2.690 -4.882 -2.390
183 HB2 ASN 25 2HB ASN 25 2.626 -6.144 -0.082
184 HB3 ASN 25 1HB ASN 25 3.585 -4.674 -0.235
185 HD21 ASN 25 1HD2 ASN 25 2.295 -2.585 0.252
186 HD22 ASN 25 2HD2 ASN 25 1.216 -2.647 1.546
187 H ILE 26 H ILE 26 2.114 -7.279 -1.972
188 HA ILE 26 HA ILE 26 -0.817 -7.624 -2.409
189 HB ILE 26 HB ILE 26 -0.349 -9.355 -3.903
190 HG12 ILE 26 2HG1 ILE 26 1.097 -10.620 -2.273
191 HG13 ILE 26 1HG1 ILE 26 1.681 -10.680 -3.934
192 HG21 ILE 26 1HG2 ILE 26 1.558 -8.605 -5.329
193 HG22 ILE 26 2HG2 ILE 26 2.046 -7.507 -4.037
194 HG23 ILE 26 3HG2 ILE 26 0.498 -7.280 -4.849
195 HD11 ILE 26 3HD1 ILE 26 3.594 -10.203 -2.584
196 HD12 ILE 26 1HD1 ILE 26 2.722 -8.974 -1.672
197 HD13 ILE 26 2HD1 ILE 26 3.151 -8.681 -3.355
198 H TRP 27 H TRP 27 1.475 -7.949 -0.058
199 HA TRP 27 HA TRP 27 0.710 -10.575 0.988
200 HB2 TRP 27 2HB TRP 27 2.325 -8.290 2.137
201 HB3 TRP 27 1HB TRP 27 2.073 -9.822 2.973
202 HD1 TRP 27 HD TRP 27 3.785 -8.328 -0.095
203 HE1 TRP 27 1HE TRP 27 5.520 -10.012 -0.984
204 HE3 TRP 27 3HE TRP 27 2.743 -12.322 2.907
205 HZ2 TRP 27 2HZ TRP 27 6.364 -12.701 -0.478
206 HZ3 TRP 27 3HZ TRP 27 4.029 -14.428 2.687
207 HH2 TRP 27 HH TRP 27 5.836 -14.623 1.001
208 H THR 28 H THR 28 -1.570 -10.386 1.319
209 HA THR 28 HA THR 28 -2.265 -9.129 3.854
210 HB THR 28 HB THR 28 -2.694 -7.722 1.373
211 HG1 THR 28 1HG THR 28 -3.618 -7.030 3.947
212 HG21 THR 28 3HG2 THR 28 -5.036 -7.219 1.470
213 HG22 THR 28 1HG2 THR 28 -5.236 -8.122 2.971
214 HG23 THR 28 2HG2 THR 28 -4.908 -8.976 1.467
215 H PHE 29 H PHE 29 -3.555 -10.598 4.828
216 HA PHE 29 HA PHE 29 -4.851 -12.683 3.201
217 HB2 PHE 29 2HB PHE 29 -4.047 -12.341 6.011
218 HB3 PHE 29 1HB PHE 29 -5.598 -13.158 5.811
219 HD1 PHE 29 2HD PHE 29 -5.565 -14.894 3.699
220 HD2 PHE 29 1HD PHE 29 -2.179 -13.722 6.069
221 HE1 PHE 29 2HE PHE 29 -4.382 -16.972 3.038
222 HE2 PHE 29 1HE PHE 29 -0.996 -15.800 5.407
223 HZ PHE 29 HZ PHE 29 -2.098 -17.424 3.891
224 H ASP 30 H ASP 30 -5.909 -10.355 5.712
225 HA ASP 30 HA ASP 30 -8.642 -10.754 5.673
226 HB2 ASP 30 2HB ASP 30 -7.174 -8.904 6.850
227 HB3 ASP 30 1HB ASP 30 -7.649 -7.929 5.459
228 H ASN 31 H ASN 31 -6.673 -9.365 3.124
229 HA ASN 31 HA ASN 31 -9.044 -9.467 1.347
230 HB2 ASN 31 2HB ASN 31 -7.301 -7.031 1.788
231 HB3 ASN 31 1HB ASN 31 -8.327 -7.229 0.366
232 HD21 ASN 31 1HD2 ASN 31 -10.698 -7.377 0.743
233 HD22 ASN 31 2HD2 ASN 31 -11.372 -6.739 2.164
234 H ILE 32 H ILE 32 -6.435 -7.738 -0.002
235 HA ILE 32 HA ILE 32 -4.906 -10.113 -0.781
236 HB ILE 32 HB ILE 32 -6.562 -10.386 -2.419
237 HG12 ILE 32 2HG1 ILE 32 -5.509 -9.502 -4.565
238 HG13 ILE 32 1HG1 ILE 32 -4.322 -8.703 -3.539
239 HG21 ILE 32 1HG2 ILE 32 -7.979 -8.779 -3.100
240 HG22 ILE 32 2HG2 ILE 32 -6.660 -7.715 -3.582
241 HG23 ILE 32 3HG2 ILE 32 -7.203 -7.741 -1.905
242 HD11 ILE 32 3HD1 ILE 32 -3.168 -10.620 -3.374
243 HD12 ILE 32 1HD1 ILE 32 -4.361 -11.428 -4.389
244 HD13 ILE 32 2HD1 ILE 32 -4.570 -11.397 -2.638
245 H ILE 33 H ILE 33 -5.459 -6.841 -2.133
246 HA ILE 33 HA ILE 33 -2.517 -6.368 -1.877
247 HB ILE 33 HB ILE 33 -4.355 -4.578 -3.437
248 HG12 ILE 33 2HG1 ILE 33 -4.814 -7.006 -4.034
249 HG13 ILE 33 1HG1 ILE 33 -4.263 -5.991 -5.366
250 HG21 ILE 33 1HG2 ILE 33 -1.493 -5.506 -3.794
251 HG22 ILE 33 2HG2 ILE 33 -2.002 -3.954 -3.129
252 HG23 ILE 33 3HG2 ILE 33 -2.321 -4.336 -4.822
253 HD11 ILE 33 3HD1 ILE 33 -2.072 -6.893 -5.306
254 HD12 ILE 33 1HD1 ILE 33 -3.122 -8.295 -5.100
255 HD13 ILE 33 2HD1 ILE 33 -2.312 -7.586 -3.703
256 H ARG 34 H ARG 34 -1.864 -4.177 -1.139
257 HA ARG 34 HA ARG 34 -3.996 -2.650 0.231
258 HB2 ARG 34 2HB ARG 34 -2.909 -4.374 1.822
259 HB3 ARG 34 1HB ARG 34 -1.501 -3.308 1.769
260 HG2 ARG 34 2HG ARG 34 -2.680 -1.504 2.717
261 HG3 ARG 34 1HG ARG 34 -4.240 -2.197 2.324
262 HD2 ARG 34 2HD ARG 34 -4.281 -3.502 4.187
263 HD3 ARG 34 1HD ARG 34 -2.567 -3.891 4.062
264 HE ARG 34 HE ARG 34 -2.081 -1.750 5.193
265 HH11 ARG 34 1HH1 ARG 34 -4.737 -3.504 6.125
266 HH12 ARG 34 2HH1 ARG 34 -5.533 -2.220 6.973
267 HH21 ARG 34 1HH2 ARG 34 -3.363 0.233 5.830
268 HH22 ARG 34 2HH2 ARG 34 -4.753 -0.103 6.807
269 H ARG 35 H ARG 35 -3.726 -0.647 -0.466
270 HA ARG 35 HA ARG 35 -0.971 0.332 -1.040
271 HB2 ARG 35 2HB ARG 35 -3.651 1.411 -1.945
272 HB3 ARG 35 1HB ARG 35 -2.099 2.105 -2.357
273 HG2 ARG 35 2HG ARG 35 -1.434 0.144 -3.569
274 HG3 ARG 35 1HG ARG 35 -2.818 -0.766 -2.964
275 HD2 ARG 35 2HD ARG 35 -4.234 0.129 -4.500
276 HD3 ARG 35 1HD ARG 35 -3.523 1.737 -4.356
277 HE ARG 35 HE ARG 35 -2.035 1.195 -6.127
278 HH11 ARG 35 1HH2 ARG 35 -4.228 -0.360 -7.340
279 HH12 ARG 35 2HH2 ARG 35 -3.517 -1.922 -7.575
280 HH21 ARG 35 1HH1 ARG 35 -0.885 -1.344 -5.390
281 HH22 ARG 35 2HH1 ARG 35 -1.625 -2.479 -6.469
282 H GLY 36 H GLY 36 -0.114 1.831 0.305
283 HA2 GLY 36 2HA GLY 36 -1.856 3.646 1.851
284 HA3 GLY 36 1HA GLY 36 -0.885 2.531 2.790
285 H CYS 37 H CYS 37 0.214 4.452 3.664
286 HA CYS 37 HA CYS 37 2.135 5.671 1.717
287 HB2 CYS 37 2HB CYS 37 1.554 6.911 4.381
288 HB3 CYS 37 1HB CYS 37 2.042 7.684 2.875
289 H GLY 38 H GLY 38 4.248 5.182 2.029
290 HA2 GLY 38 2HA GLY 38 6.161 5.116 3.644
291 HA3 GLY 38 1HA GLY 38 5.107 4.169 4.694
292 H CYS 39 H CYS 39 6.546 2.384 4.610
293 HA CYS 39 HA CYS 39 6.580 0.956 1.992
294 HB2 CYS 39 2HB CYS 39 8.502 0.652 4.327
295 HB3 CYS 39 1HB CYS 39 8.579 -0.231 2.801
296 H PHE 40 H PHE 40 6.516 -1.473 2.318
297 HA PHE 40 HA PHE 40 4.202 -2.153 3.888
298 HB2 PHE 40 2HB PHE 40 5.324 -4.592 3.417
299 HB3 PHE 40 1HB PHE 40 4.343 -3.730 2.236
300 HD1 PHE 40 2HD PHE 40 7.773 -4.551 3.294
301 HD2 PHE 40 1HD PHE 40 5.323 -2.645 0.334
302 HE1 PHE 40 2HE PHE 40 9.745 -4.342 1.797
303 HE2 PHE 40 1HE PHE 40 7.288 -2.431 -1.164
304 HZ PHE 40 HZ PHE 40 9.504 -3.282 -0.434
305 H THR 41 H THR 41 4.510 -4.257 5.394
306 HA THR 41 HA THR 41 6.257 -3.280 7.546
307 HB THR 41 HB THR 41 4.435 -5.659 7.780
308 HG1 THR 41 1HG THR 41 3.063 -4.151 7.045
309 HG21 THR 41 3HG2 THR 41 4.593 -3.745 9.959
310 HG22 THR 41 1HG2 THR 41 6.189 -4.344 9.508
311 HG23 THR 41 2HG2 THR 41 4.921 -5.479 9.969
312 HA PRO 42 HA PRO 42 8.093 -7.599 7.147
313 HB2 PRO 42 2HB PRO 42 7.233 -9.243 5.118
314 HB3 PRO 42 1HB PRO 42 6.460 -9.168 6.711
315 HG2 PRO 42 2HG PRO 42 5.458 -8.162 4.119
316 HG3 PRO 42 1HG PRO 42 4.564 -8.475 5.616
317 HD2 PRO 42 2HD PRO 42 5.492 -5.944 4.594
318 HD3 PRO 42 1HD PRO 42 4.569 -6.227 6.083
319 H ARG 43 H ARG 43 8.862 -5.253 5.685
320 HA ARG 43 HA ARG 43 9.724 -5.720 3.035
321 HB2 ARG 43 2HB ARG 43 10.074 -3.529 3.671
322 HB3 ARG 43 1HB ARG 43 10.677 -3.961 5.265
323 HG2 ARG 43 2HG ARG 43 12.826 -4.467 4.435
324 HG3 ARG 43 1HG ARG 43 12.245 -4.646 2.780
325 HD2 ARG 43 2HD ARG 43 13.280 -2.541 2.726
326 HD3 ARG 43 1HD ARG 43 11.586 -2.128 3.002
327 HE ARG 43 HE ARG 43 13.003 -2.475 5.501
328 HH11 ARG 43 1HH1 ARG 43 11.387 -0.331 3.502
329 HH12 ARG 43 2HH1 ARG 43 12.168 1.096 4.099
330 HH21 ARG 43 1HH2 ARG 43 14.478 -0.649 6.009
331 HH22 ARG 43 2HH2 ARG 43 13.922 0.916 5.517
332 H GLY 44 H GLY 44 11.295 -7.005 2.184
333 HA2 GLY 44 2HA GLY 44 13.722 -7.683 3.422
334 HA3 GLY 44 1HA GLY 44 12.574 -8.960 3.813
335 H ASP 45 H ASP 45 14.042 -10.349 2.500
336 HA ASP 45 HA ASP 45 13.989 -9.844 -0.417
337 HB2 ASP 45 2HB ASP 45 15.721 -11.254 1.415
338 HB3 ASP 45 1HB ASP 45 15.204 -12.336 0.121
339 H MET 46 H MET 46 12.431 -11.862 1.980
340 HA MET 46 HA MET 46 11.548 -13.939 0.219
341 HB2 MET 46 2HB MET 46 11.055 -13.139 2.954
342 HB3 MET 46 1HB MET 46 9.550 -13.612 2.167
343 HG2 MET 46 2HG MET 46 10.250 -15.787 1.818
344 HG3 MET 46 1HG MET 46 11.954 -15.338 1.745
345 HE1 MET 46 3HE MET 46 13.287 -16.405 4.881
346 HE2 MET 46 1HE MET 46 13.487 -15.678 3.281
347 HE3 MET 46 2HE MET 46 12.802 -17.294 3.440
348 HA PRO 47 HA PRO 47 7.645 -11.311 -0.453
349 HB2 PRO 47 2HB PRO 47 7.509 -8.864 0.792
350 HB3 PRO 47 1HB PRO 47 6.955 -10.367 1.540
351 HG2 PRO 47 2HG PRO 47 9.384 -8.764 2.141
352 HG3 PRO 47 1HG PRO 47 8.517 -9.914 3.172
353 HD2 PRO 47 2HD PRO 47 10.935 -10.395 1.735
354 HD3 PRO 47 1HD PRO 47 9.968 -11.591 2.618
355 H GLY 48 H GLY 48 7.184 -9.515 -2.001
356 HA2 GLY 48 2HA GLY 48 9.528 -7.879 -2.727
357 HA3 GLY 48 1HA GLY 48 8.841 -8.914 -3.970
358 HA PRO 49 HA PRO 49 5.360 -5.797 -3.242
359 HB2 PRO 49 2HB PRO 49 5.329 -4.330 -0.936
360 HB3 PRO 49 1HB PRO 49 4.614 -5.942 -1.074
361 HG2 PRO 49 2HG PRO 49 7.136 -5.140 0.293
362 HG3 PRO 49 1HG PRO 49 6.077 -6.516 0.612
363 HD2 PRO 49 2HD PRO 49 8.532 -6.587 -0.802
364 HD3 PRO 49 1HD PRO 49 7.313 -7.869 -0.710
365 H TYR 50 H TYR 50 5.212 -3.099 -2.735
366 HA TYR 50 HA TYR 50 7.898 -2.061 -3.531
367 HB2 TYR 50 2HB TYR 50 5.732 -2.330 -5.237
368 HB3 TYR 50 1HB TYR 50 5.692 -0.627 -4.779
369 HD1 TYR 50 1HD TYR 50 7.779 0.779 -5.059
370 HD2 TYR 50 2HD TYR 50 7.431 -3.189 -6.668
371 HE1 TYR 50 1HE TYR 50 9.699 1.220 -6.566
372 HE2 TYR 50 2HE TYR 50 9.351 -2.748 -8.175
373 HH TYR 50 HH TYR 50 11.082 -1.333 -8.579
374 H CYS 51 H CYS 51 8.490 -0.100 -2.785
375 HA CYS 51 HA CYS 51 6.553 1.507 -1.122
376 HB2 CYS 51 2HB CYS 51 8.540 0.327 0.118
377 HB3 CYS 51 1HB CYS 51 9.536 1.514 -0.708
378 H CYS 52 H CYS 52 6.550 3.666 -1.719
379 HA CYS 52 HA CYS 52 8.562 4.535 -3.761
380 HB2 CYS 52 2HB CYS 52 6.562 3.994 -4.996
381 HB3 CYS 52 1HB CYS 52 5.558 4.877 -3.860
382 H GLU 53 H GLU 53 8.612 6.958 -3.939
383 HA GLU 53 HA GLU 53 7.874 8.186 -1.315
384 HB2 GLU 53 2HB GLU 53 10.209 9.082 -3.012
385 HB3 GLU 53 1HB GLU 53 9.872 9.459 -1.320
386 HG2 GLU 53 2HG GLU 53 10.378 7.247 -0.611
387 HG3 GLU 53 1HG GLU 53 10.336 6.627 -2.260
388 H SER 54 H SER 54 5.882 8.417 -2.887
389 HA SER 54 HA SER 54 5.856 11.225 -3.730
390 HB2 SER 54 2HB SER 54 4.965 9.220 -5.791
391 HB3 SER 54 1HB SER 54 5.402 10.912 -6.011
392 HG SER 54 HG SER 54 7.077 9.594 -6.736
393 H ASP 55 H ASP 55 3.612 11.968 -3.995
394 HA ASP 55 HA ASP 55 1.809 10.539 -2.264
395 HB2 ASP 55 2HB ASP 55 0.811 12.599 -4.203
396 HB3 ASP 55 1HB ASP 55 0.354 12.326 -2.524
397 H LYS 56 H LYS 56 -0.281 9.640 -2.910
398 HA LYS 56 HA LYS 56 -1.367 7.946 -4.134
399 HB2 LYS 56 2HB LYS 56 -2.528 8.919 -5.872
400 HB3 LYS 56 1HB LYS 56 -1.845 10.372 -5.163
401 HG2 LYS 56 2HG LYS 56 0.170 9.639 -6.855
402 HG3 LYS 56 1HG LYS 56 -1.238 9.070 -7.746
403 HD2 LYS 56 2HD LYS 56 -1.939 11.171 -8.208
404 HD3 LYS 56 1HD LYS 56 -1.617 11.730 -6.567
405 HE2 LYS 56 2HE LYS 56 0.591 12.294 -7.047
406 HE3 LYS 56 1HE LYS 56 0.694 11.161 -8.395
407 HZ1 LYS 56 3HZ LYS 56 -1.207 12.751 -9.293
408 HZ2 LYS 56 1HZ LYS 56 0.439 13.058 -9.567
409 HZ3 LYS 56 2HZ LYS 56 -0.379 13.870 -8.318
410 H CYS 57 H CYS 57 1.552 7.592 -4.041
411 HA CYS 57 HA CYS 57 2.380 6.819 -6.735
412 HB2 CYS 57 2HB CYS 57 3.785 7.563 -4.584
413 HB3 CYS 57 1HB CYS 57 3.864 5.818 -4.362
414 H ASN 58 H ASN 58 0.802 5.090 -4.076
415 HA ASN 58 HA ASN 58 1.612 2.474 -4.374
416 HB2 ASN 58 2HB ASN 58 -1.333 2.870 -4.616
417 HB3 ASN 58 1HB ASN 58 -0.433 1.770 -3.578
418 HD21 ASN 58 1HD2 ASN 58 0.127 2.486 -1.481
419 HD22 ASN 58 2HD2 ASN 58 -0.381 3.984 -0.860
420 H LEU 59 H LEU 59 -0.187 4.361 -6.721
421 HA LEU 59 HA LEU 59 0.140 2.082 -8.609
422 HB2 LEU 59 2HB LEU 59 -2.028 2.967 -9.680
423 HB3 LEU 59 1HB LEU 59 -2.192 2.097 -8.155
424 HG LEU 59 HG LEU 59 -1.696 4.933 -7.718
425 HD11 LEU 59 1HD1 LEU 59 -3.979 5.644 -8.509
426 HD12 LEU 59 2HD1 LEU 59 -4.103 4.108 -9.367
427 HD13 LEU 59 3HD1 LEU 59 -2.856 5.272 -9.816
428 HD21 LEU 59 3HD2 LEU 59 -3.597 2.787 -6.854
429 HD22 LEU 59 1HD2 LEU 59 -4.082 4.464 -6.599
430 HD23 LEU 59 2HD2 LEU 59 -2.595 3.857 -5.872
Start of MODEL 5
1 H1 ARG 1 1HT ARG 1 2.864 12.568 3.776
2 H2 ARG 1 2HT ARG 1 2.238 14.132 3.557
3 H3 ARG 1 3HT ARG 1 3.894 13.837 3.321
4 HA ARG 1 HA ARG 1 2.751 14.048 1.210
5 HB2 ARG 1 2HB ARG 1 4.464 11.984 2.053
6 HB3 ARG 1 1HB ARG 1 3.236 11.195 1.062
7 HG2 ARG 1 2HG ARG 1 3.740 13.386 -0.457
8 HG3 ARG 1 1HG ARG 1 5.320 13.154 0.286
9 HD2 ARG 1 2HD ARG 1 5.154 10.705 -0.416
10 HD3 ARG 1 1HD ARG 1 3.759 11.159 -1.382
11 HE ARG 1 HE ARG 1 5.719 11.407 -2.832
12 HH11 ARG 1 1HH2 ARG 1 4.664 14.198 -2.583
13 HH12 ARG 1 2HH2 ARG 1 6.096 15.096 -2.210
14 HH21 ARG 1 1HH1 ARG 1 7.933 12.298 -1.304
15 HH22 ARG 1 2HH1 ARG 1 7.948 14.020 -1.488
16 H ILE 2 H ILE 2 1.678 11.808 -0.176
17 HA ILE 2 HA ILE 2 -0.830 11.182 1.309
18 HB ILE 2 HB ILE 2 -0.735 12.246 -1.524
19 HG12 ILE 2 2HG1 ILE 2 -2.386 13.808 0.114
20 HG13 ILE 2 1HG1 ILE 2 -0.951 13.467 1.083
21 HG21 ILE 2 1HG2 ILE 2 -2.612 10.575 -0.161
22 HG22 ILE 2 2HG2 ILE 2 -2.773 11.303 -1.759
23 HG23 ILE 2 3HG2 ILE 2 -3.346 12.170 -0.333
24 HD11 ILE 2 3HD1 ILE 2 -0.699 14.362 -1.780
25 HD12 ILE 2 1HD1 ILE 2 0.504 14.445 -0.494
26 HD13 ILE 2 2HD1 ILE 2 -0.880 15.539 -0.480
27 H CYS 3 H CYS 3 -1.331 9.063 1.114
28 HA CYS 3 HA CYS 3 -0.474 7.742 -1.391
29 HB2 CYS 3 2HB CYS 3 -0.066 6.505 1.348
30 HB3 CYS 3 1HB CYS 3 0.369 5.780 -0.195
31 H TYR 4 H TYR 4 -1.593 5.488 -1.587
32 HA TYR 4 HA TYR 4 -4.420 5.957 -1.007
33 HB2 TYR 4 2HB TYR 4 -2.946 3.766 -2.460
34 HB3 TYR 4 1HB TYR 4 -4.673 3.664 -2.134
35 HD1 TYR 4 2HD TYR 4 -6.203 5.492 -2.958
36 HD2 TYR 4 1HD TYR 4 -2.105 5.177 -4.198
37 HE1 TYR 4 2HE TYR 4 -6.670 6.974 -4.889
38 HE2 TYR 4 1HE TYR 4 -2.572 6.660 -6.122
39 HH TYR 4 HH TYR 4 -4.072 8.037 -7.063
40 H ASN 5 H ASN 5 -5.723 4.675 0.354
41 HA ASN 5 HA ASN 5 -4.176 3.114 2.368
42 HB2 ASN 5 2HB ASN 5 -5.004 4.807 3.650
43 HB3 ASN 5 1HB ASN 5 -6.355 5.113 2.564
44 HD21 ASN 5 1HD2 ASN 5 -5.450 2.032 4.149
45 HD22 ASN 5 2HD2 ASN 5 -6.919 1.848 4.963
46 H HIS 6 H HIS 6 -7.121 3.024 0.341
47 HA HIS 6 HA HIS 6 -8.118 0.714 1.747
48 HB2 HIS 6 2HB HIS 6 -9.914 1.665 0.789
49 HB3 HIS 6 1HB HIS 6 -9.030 2.220 -0.603
50 HD1 HIS 6 1HD HIS 6 -10.330 -1.046 0.842
51 HD2 HIS 6 2HD HIS 6 -9.519 0.659 -2.874
52 HE1 HIS 6 1HE HIS 6 -11.157 -2.689 -0.897
53 H LEU 7 H LEU 7 -8.407 -1.415 0.954
54 HA LEU 7 HA LEU 7 -5.912 -2.430 -0.176
55 HB2 LEU 7 2HB LEU 7 -7.073 -4.674 0.345
56 HB3 LEU 7 1HB LEU 7 -6.670 -3.628 1.707
57 HG LEU 7 HG LEU 7 -9.288 -3.012 0.566
58 HD11 LEU 7 1HD1 LEU 7 -8.750 -5.788 1.656
59 HD12 LEU 7 2HD1 LEU 7 -9.400 -5.378 0.069
60 HD13 LEU 7 3HD1 LEU 7 -10.361 -5.084 1.518
61 HD21 LEU 7 3HD2 LEU 7 -9.594 -3.810 3.198
62 HD22 LEU 7 1HD2 LEU 7 -9.217 -2.170 2.672
63 HD23 LEU 7 2HD2 LEU 7 -7.919 -3.262 3.154
64 H GLY 8 H GLY 8 -5.952 -4.250 -1.675
65 HA2 GLY 8 2HA GLY 8 -6.530 -5.341 -3.651
66 HA3 GLY 8 1HA GLY 8 -8.133 -4.624 -3.533
67 H THR 9 H THR 9 -7.445 -4.587 -6.002
68 HA THR 9 HA THR 9 -5.762 -2.259 -6.677
69 HB THR 9 HB THR 9 -7.208 -4.302 -8.381
70 HG1 THR 9 1HG THR 9 -4.737 -4.444 -8.867
71 HG21 THR 9 3HG2 THR 9 -5.319 -2.101 -9.258
72 HG22 THR 9 1HG2 THR 9 -7.070 -2.050 -9.464
73 HG23 THR 9 2HG2 THR 9 -6.120 -3.280 -10.299
74 H LYS 10 H LYS 10 -9.124 -3.053 -6.348
75 HA LYS 10 HA LYS 10 -10.386 -1.241 -8.079
76 HB2 LYS 10 2HB LYS 10 -11.353 -1.308 -5.242
77 HB3 LYS 10 1HB LYS 10 -12.272 -1.448 -6.737
78 HG2 LYS 10 2HG LYS 10 -10.918 -3.705 -6.992
79 HG3 LYS 10 1HG LYS 10 -10.776 -3.561 -5.240
80 HD2 LYS 10 2HD LYS 10 -13.347 -3.593 -6.846
81 HD3 LYS 10 1HD LYS 10 -12.772 -4.851 -5.752
82 HE2 LYS 10 2HE LYS 10 -12.876 -3.232 -3.868
83 HE3 LYS 10 1HE LYS 10 -13.522 -2.017 -4.972
84 HZ1 LYS 10 3HZ LYS 10 -15.479 -3.198 -5.258
85 HZ2 LYS 10 1HZ LYS 10 -15.158 -3.402 -3.604
86 HZ3 LYS 10 2HZ LYS 10 -14.812 -4.656 -4.696
87 HA PRO 11 HA PRO 11 -9.255 2.779 -6.731
88 HB2 PRO 11 2HB PRO 11 -11.643 4.144 -6.600
89 HB3 PRO 11 1HB PRO 11 -10.833 3.710 -8.115
90 HG2 PRO 11 2HG PRO 11 -13.237 2.473 -6.848
91 HG3 PRO 11 1HG PRO 11 -12.792 2.563 -8.561
92 HD2 PRO 11 2HD PRO 11 -12.500 0.303 -6.916
93 HD3 PRO 11 1HD PRO 11 -11.702 0.540 -8.485
94 HA PRO 12 HA PRO 12 -10.037 2.339 -2.299
95 HB2 PRO 12 2HB PRO 12 -7.499 3.086 -1.575
96 HB3 PRO 12 1HB PRO 12 -7.914 1.449 -2.107
97 HG2 PRO 12 2HG PRO 12 -6.374 3.520 -3.513
98 HG3 PRO 12 1HG PRO 12 -6.422 1.781 -3.803
99 HD2 PRO 12 2HD PRO 12 -7.793 3.833 -5.296
100 HD3 PRO 12 1HD PRO 12 -7.860 2.080 -5.553
101 H THR 13 H THR 13 -9.089 4.030 -0.429
102 HA THR 13 HA THR 13 -9.840 6.744 -1.454
103 HB THR 13 HB THR 13 -10.674 7.245 0.752
104 HG1 THR 13 1HG THR 13 -9.414 4.804 1.402
105 HG21 THR 13 3HG2 THR 13 -11.495 4.450 -0.091
106 HG22 THR 13 1HG2 THR 13 -12.215 5.962 -0.645
107 HG23 THR 13 2HG2 THR 13 -12.394 5.465 1.037
108 H THR 14 H THR 14 -8.050 8.021 -1.636
109 HA THR 14 HA THR 14 -5.504 7.345 -0.708
110 HB THR 14 HB THR 14 -5.073 9.899 -0.788
111 HG1 THR 14 1HG THR 14 -7.394 10.018 -2.297
112 HG21 THR 14 3HG2 THR 14 -6.186 8.655 -3.296
113 HG22 THR 14 1HG2 THR 14 -4.679 8.101 -2.566
114 HG23 THR 14 2HG2 THR 14 -4.823 9.765 -3.133
115 H GLU 15 H GLU 15 -4.247 8.093 1.021
116 HA GLU 15 HA GLU 15 -5.717 9.212 3.355
117 HB2 GLU 15 2HB GLU 15 -5.420 6.589 3.285
118 HB3 GLU 15 1HB GLU 15 -3.772 6.965 3.781
119 HG2 GLU 15 2HG GLU 15 -5.293 6.566 5.718
120 HG3 GLU 15 1HG GLU 15 -4.604 8.192 5.722
121 H THR 16 H THR 16 -4.594 11.062 3.694
122 HA THR 16 HA THR 16 -1.895 11.450 2.822
123 HB THR 16 HB THR 16 -2.412 13.305 4.889
124 HG1 THR 16 1HG THR 16 -4.704 13.227 3.319
125 HG21 THR 16 3HG2 THR 16 -2.965 14.800 2.908
126 HG22 THR 16 1HG2 THR 16 -2.804 13.366 1.894
127 HG23 THR 16 2HG2 THR 16 -1.419 13.956 2.814
128 H CYS 17 H CYS 17 0.001 11.089 3.844
129 HA CYS 17 HA CYS 17 -0.007 10.482 6.761
130 HB2 CYS 17 2HB CYS 17 1.286 8.813 4.581
131 HB3 CYS 17 1HB CYS 17 1.610 8.616 6.304
132 H GLN 18 H GLN 18 2.482 10.352 7.437
133 HA GLN 18 HA GLN 18 3.682 12.828 6.382
134 HB2 GLN 18 2HB GLN 18 3.726 12.376 8.813
135 HB3 GLN 18 1HB GLN 18 4.708 10.947 8.518
136 HG2 GLN 18 2HG GLN 18 6.076 12.976 9.096
137 HG3 GLN 18 1HG GLN 18 6.474 12.273 7.536
138 HE21 GLN 18 1HE2 GLN 18 5.577 13.369 5.571
139 HE22 GLN 18 2HE2 GLN 18 5.148 15.009 5.632
140 H GLU 19 H GLU 19 4.341 9.386 6.512
141 HA GLU 19 HA GLU 19 6.959 9.552 5.355
142 HB2 GLU 19 2HB GLU 19 5.378 7.163 4.623
143 HB3 GLU 19 1HB GLU 19 6.972 7.270 5.364
144 HG2 GLU 19 2HG GLU 19 4.287 7.539 6.732
145 HG3 GLU 19 1HG GLU 19 5.535 6.329 7.029
146 H ASP 20 H ASP 20 7.515 10.001 3.310
147 HA ASP 20 HA ASP 20 5.433 10.583 1.363
148 HB2 ASP 20 2HB ASP 20 7.889 10.499 -0.028
149 HB3 ASP 20 1HB ASP 20 7.026 11.930 0.521
150 H SER 21 H SER 21 7.075 7.815 2.324
151 HA SER 21 HA SER 21 7.065 6.489 -0.270
152 HB2 SER 21 2HB SER 21 7.129 4.788 2.123
153 HB3 SER 21 1HB SER 21 8.270 4.885 0.785
154 HG SER 21 HG SER 21 9.347 6.448 1.797
155 H CYS 22 H CYS 22 5.413 5.119 -1.024
156 HA CYS 22 HA CYS 22 3.017 4.861 0.742
157 HB2 CYS 22 2HB CYS 22 3.036 4.849 -2.291
158 HB3 CYS 22 1HB CYS 22 1.631 4.919 -1.235
159 H TYR 23 H TYR 23 2.847 2.746 1.379
160 HA TYR 23 HA TYR 23 4.134 0.773 -0.415
161 HB2 TYR 23 2HB TYR 23 4.631 -0.598 1.379
162 HB3 TYR 23 1HB TYR 23 4.847 0.995 2.064
163 HD1 TYR 23 1HD TYR 23 2.151 1.897 2.753
164 HD2 TYR 23 2HD TYR 23 3.856 -2.030 2.974
165 HE1 TYR 23 1HE TYR 23 0.563 1.312 4.561
166 HE2 TYR 23 2HE TYR 23 2.257 -2.623 4.775
167 HH TYR 23 HH TYR 23 -0.125 -1.750 5.481
168 H LYS 24 H LYS 24 3.065 -0.613 -1.440
169 HA LYS 24 HA LYS 24 0.275 -1.296 -0.608
170 HB2 LYS 24 2HB LYS 24 -0.166 0.049 -2.434
171 HB3 LYS 24 1HB LYS 24 1.300 -0.398 -3.279
172 HG2 LYS 24 2HG LYS 24 0.008 -2.800 -3.202
173 HG3 LYS 24 1HG LYS 24 -1.357 -1.687 -3.262
174 HD2 LYS 24 2HD LYS 24 0.928 -1.151 -5.098
175 HD3 LYS 24 1HD LYS 24 -0.123 -2.514 -5.487
176 HE2 LYS 24 2HE LYS 24 -1.941 -0.555 -4.834
177 HE3 LYS 24 1HE LYS 24 -0.669 0.373 -5.627
178 HZ1 LYS 24 3HZ LYS 24 -2.103 -0.336 -7.323
179 HZ2 LYS 24 1HZ LYS 24 -2.205 -1.914 -6.710
180 HZ3 LYS 24 2HZ LYS 24 -0.760 -1.371 -7.421
181 H ASN 25 H ASN 25 0.458 -3.352 0.036
182 HA ASN 25 HA ASN 25 2.287 -5.139 -1.488
183 HB2 ASN 25 2HB ASN 25 2.023 -6.388 0.914
184 HB3 ASN 25 1HB ASN 25 3.268 -5.201 0.574
185 HD21 ASN 25 1HD2 ASN 25 2.345 -2.777 0.906
186 HD22 ASN 25 2HD2 ASN 25 1.468 -2.555 2.339
187 H ILE 26 H ILE 26 1.680 -7.484 -1.370
188 HA ILE 26 HA ILE 26 -1.269 -7.749 -1.736
189 HB ILE 26 HB ILE 26 -0.852 -9.485 -3.305
190 HG12 ILE 26 2HG1 ILE 26 0.994 -10.542 -1.883
191 HG13 ILE 26 1HG1 ILE 26 1.229 -10.605 -3.624
192 HG21 ILE 26 1HG2 ILE 26 -0.182 -8.071 -4.913
193 HG22 ILE 26 2HG2 ILE 26 1.451 -7.995 -4.256
194 HG23 ILE 26 3HG2 ILE 26 0.201 -6.917 -3.637
195 HD11 ILE 26 3HD1 ILE 26 2.718 -9.047 -1.567
196 HD12 ILE 26 1HD1 ILE 26 2.483 -8.276 -3.133
197 HD13 ILE 26 2HD1 ILE 26 3.307 -9.828 -3.031
198 H TRP 27 H TRP 27 1.541 -9.207 -0.174
199 HA TRP 27 HA TRP 27 0.083 -11.488 0.872
200 HB2 TRP 27 2HB TRP 27 2.148 -11.020 2.688
201 HB3 TRP 27 1HB TRP 27 2.213 -12.113 1.309
202 HD1 TRP 27 HD TRP 27 3.726 -11.454 -0.691
203 HE1 TRP 27 1HE TRP 27 5.320 -9.475 -1.159
204 HE3 TRP 27 3HE TRP 27 2.475 -8.369 3.182
205 HZ2 TRP 27 2HZ TRP 27 5.960 -6.943 -0.050
206 HZ3 TRP 27 3HZ TRP 27 3.601 -6.177 3.450
207 HH2 TRP 27 HH TRP 27 5.344 -5.463 1.836
208 H THR 28 H THR 28 -1.411 -11.431 2.473
209 HA THR 28 HA THR 28 -1.053 -9.633 4.755
210 HB THR 28 HB THR 28 -2.092 -8.210 2.977
211 HG1 THR 28 1HG THR 28 -4.098 -7.890 4.450
212 HG21 THR 28 3HG2 THR 28 -3.679 -9.152 1.698
213 HG22 THR 28 1HG2 THR 28 -4.756 -9.113 3.095
214 HG23 THR 28 2HG2 THR 28 -3.778 -10.546 2.775
215 H PHE 29 H PHE 29 -4.152 -9.865 5.035
216 HA PHE 29 HA PHE 29 -4.225 -12.008 6.823
217 HB2 PHE 29 2HB PHE 29 -5.990 -10.256 6.606
218 HB3 PHE 29 1HB PHE 29 -6.548 -11.056 5.138
219 HD1 PHE 29 1HD PHE 29 -5.223 -12.823 8.127
220 HD2 PHE 29 2HD PHE 29 -8.732 -11.707 5.910
221 HE1 PHE 29 1HE PHE 29 -6.583 -14.386 9.488
222 HE2 PHE 29 2HE PHE 29 -10.089 -13.271 7.272
223 HZ PHE 29 HZ PHE 29 -9.014 -14.611 9.062
224 H ASP 30 H ASP 30 -5.570 -12.114 3.505
225 HA ASP 30 HA ASP 30 -4.792 -14.993 3.470
226 HB2 ASP 30 2HB ASP 30 -7.428 -13.866 2.479
227 HB3 ASP 30 1HB ASP 30 -6.922 -15.554 2.391
228 H ASN 31 H ASN 31 -6.485 -12.873 1.152
229 HA ASN 31 HA ASN 31 -4.097 -12.880 -0.588
230 HB2 ASN 31 2HB ASN 31 -5.599 -13.747 -2.511
231 HB3 ASN 31 1HB ASN 31 -4.968 -14.923 -1.358
232 HD21 ASN 31 1HD2 ASN 31 -6.471 -15.970 0.071
233 HD22 ASN 31 2HD2 ASN 31 -8.151 -15.763 -0.060
234 H ILE 32 H ILE 32 -4.436 -10.529 -0.075
235 HA ILE 32 HA ILE 32 -6.109 -9.330 -2.185
236 HB ILE 32 HB ILE 32 -6.978 -7.616 -0.478
237 HG12 ILE 32 2HG1 ILE 32 -5.395 -8.530 1.317
238 HG13 ILE 32 1HG1 ILE 32 -7.058 -8.233 1.816
239 HG21 ILE 32 1HG2 ILE 32 -8.912 -9.031 0.080
240 HG22 ILE 32 2HG2 ILE 32 -7.984 -10.473 -0.331
241 HG23 ILE 32 3HG2 ILE 32 -8.401 -9.305 -1.586
242 HD11 ILE 32 3HD1 ILE 32 -5.595 -10.697 1.900
243 HD12 ILE 32 1HD1 ILE 32 -6.940 -10.888 0.780
244 HD13 ILE 32 2HD1 ILE 32 -7.242 -10.385 2.441
245 H ILE 33 H ILE 33 -5.762 -6.711 -1.786
246 HA ILE 33 HA ILE 33 -2.813 -6.408 -1.415
247 HB ILE 33 HB ILE 33 -4.435 -4.591 -3.164
248 HG12 ILE 33 2HG1 ILE 33 -4.900 -6.963 -3.809
249 HG13 ILE 33 1HG1 ILE 33 -4.057 -6.055 -5.063
250 HG21 ILE 33 1HG2 ILE 33 -1.563 -5.560 -3.282
251 HG22 ILE 33 2HG2 ILE 33 -2.084 -4.030 -2.576
252 HG23 ILE 33 3HG2 ILE 33 -2.286 -4.319 -4.304
253 HD11 ILE 33 3HD1 ILE 33 -2.545 -7.737 -5.061
254 HD12 ILE 33 1HD1 ILE 33 -3.171 -8.398 -3.550
255 HD13 ILE 33 2HD1 ILE 33 -1.992 -7.086 -3.517
256 H ARG 34 H ARG 34 -2.109 -4.351 -0.459
257 HA ARG 34 HA ARG 34 -4.337 -2.719 0.619
258 HB2 ARG 34 2HB ARG 34 -3.400 -4.437 2.337
259 HB3 ARG 34 1HB ARG 34 -2.056 -3.294 2.454
260 HG2 ARG 34 2HG ARG 34 -3.444 -1.542 3.208
261 HG3 ARG 34 1HG ARG 34 -4.890 -2.306 2.577
262 HD2 ARG 34 2HD ARG 34 -5.081 -2.708 4.874
263 HD3 ARG 34 1HD ARG 34 -4.354 -4.202 4.287
264 HE ARG 34 HE ARG 34 -2.118 -3.071 4.972
265 HH11 ARG 34 1HH2 ARG 34 -4.113 -4.210 7.122
266 HH12 ARG 34 2HH2 ARG 34 -3.926 -3.001 8.349
267 HH21 ARG 34 1HH1 ARG 34 -2.329 -0.743 6.262
268 HH22 ARG 34 2HH1 ARG 34 -2.918 -1.042 7.862
269 H ARG 35 H ARG 35 -3.990 -0.854 -0.266
270 HA ARG 35 HA ARG 35 -1.302 0.202 -0.777
271 HB2 ARG 35 2HB ARG 35 -4.026 1.455 -1.144
272 HB3 ARG 35 1HB ARG 35 -2.524 2.075 -1.798
273 HG2 ARG 35 2HG ARG 35 -2.584 0.621 -3.538
274 HG3 ARG 35 1HG ARG 35 -2.951 -0.735 -2.476
275 HD2 ARG 35 2HD ARG 35 -5.104 -0.682 -3.116
276 HD3 ARG 35 1HD ARG 35 -5.236 1.000 -2.602
277 HE ARG 35 HE ARG 35 -4.767 1.691 -4.853
278 HH11 ARG 35 1HH1 ARG 35 -3.546 -1.435 -4.569
279 HH12 ARG 35 2HH1 ARG 35 -4.012 -1.942 -6.157
280 HH21 ARG 35 1HH2 ARG 35 -5.857 0.923 -6.811
281 HH22 ARG 35 2HH2 ARG 35 -5.331 -0.608 -7.427
282 H GLY 36 H GLY 36 -0.241 1.286 0.821
283 HA2 GLY 36 2HA GLY 36 -1.843 2.944 2.707
284 HA3 GLY 36 1HA GLY 36 -0.670 1.802 3.346
285 H CYS 37 H CYS 37 0.392 3.697 4.298
286 HA CYS 37 HA CYS 37 2.114 5.141 2.331
287 HB2 CYS 37 2HB CYS 37 2.080 6.938 4.278
288 HB3 CYS 37 1HB CYS 37 0.780 6.898 3.088
289 H GLY 38 H GLY 38 4.269 4.719 2.717
290 HA2 GLY 38 2HA GLY 38 6.186 4.505 4.174
291 HA3 GLY 38 1HA GLY 38 5.093 4.162 5.522
292 H CYS 39 H CYS 39 7.376 2.543 4.356
293 HA CYS 39 HA CYS 39 6.243 0.351 2.934
294 HB2 CYS 39 2HB CYS 39 8.754 0.609 4.529
295 HB3 CYS 39 1HB CYS 39 8.302 -0.906 3.768
296 H PHE 40 H PHE 40 5.936 -1.735 3.604
297 HA PHE 40 HA PHE 40 4.216 -2.063 5.858
298 HB2 PHE 40 2HB PHE 40 4.446 -4.556 5.284
299 HB3 PHE 40 1HB PHE 40 3.830 -3.529 3.997
300 HD1 PHE 40 1HD PHE 40 5.667 -2.539 2.345
301 HD2 PHE 40 2HD PHE 40 6.238 -5.966 4.860
302 HE1 PHE 40 1HE PHE 40 7.598 -3.210 0.982
303 HE2 PHE 40 2HE PHE 40 8.147 -6.664 3.452
304 HZ PHE 40 HZ PHE 40 8.840 -5.289 1.519
305 H THR 41 H THR 41 4.678 -3.879 7.526
306 HA THR 41 HA THR 41 7.021 -3.097 8.993
307 HB THR 41 HB THR 41 5.587 -5.596 9.722
308 HG1 THR 41 1HG THR 41 4.448 -3.044 10.115
309 HG21 THR 41 3HG2 THR 41 6.687 -3.155 11.108
310 HG22 THR 41 1HG2 THR 41 7.206 -4.831 11.275
311 HG23 THR 41 2HG2 THR 41 5.658 -4.318 11.943
312 HA PRO 42 HA PRO 42 8.680 -7.441 8.014
313 HB2 PRO 42 2HB PRO 42 7.421 -8.866 6.024
314 HB3 PRO 42 1HB PRO 42 6.995 -8.969 7.741
315 HG2 PRO 42 2HG PRO 42 5.532 -7.623 5.528
316 HG3 PRO 42 1HG PRO 42 4.913 -8.237 7.069
317 HD2 PRO 42 2HD PRO 42 5.480 -5.527 6.431
318 HD3 PRO 42 1HD PRO 42 5.089 -6.157 8.040
319 H ARG 43 H ARG 43 9.280 -4.992 6.710
320 HA ARG 43 HA ARG 43 9.646 -5.039 3.930
321 HB2 ARG 43 2HB ARG 43 10.256 -3.029 4.958
322 HB3 ARG 43 1HB ARG 43 11.235 -3.829 6.180
323 HG2 ARG 43 2HG ARG 43 12.960 -4.330 4.569
324 HG3 ARG 43 1HG ARG 43 11.936 -3.804 3.232
325 HD2 ARG 43 2HD ARG 43 12.352 -1.594 3.612
326 HD3 ARG 43 1HD ARG 43 12.347 -1.793 5.364
327 HE ARG 43 HE ARG 43 14.691 -1.675 3.773
328 HH11 ARG 43 1HH1 ARG 43 14.856 -4.578 4.215
329 HH12 ARG 43 2HH1 ARG 43 15.635 -4.698 5.757
330 HH21 ARG 43 1HH2 ARG 43 15.006 -1.401 6.628
331 HH22 ARG 43 2HH2 ARG 43 15.717 -2.901 7.124
332 H GLY 44 H GLY 44 11.368 -5.765 2.601
333 HA2 GLY 44 2HA GLY 44 13.737 -6.972 3.285
334 HA3 GLY 44 1HA GLY 44 12.547 -8.258 3.470
335 H ASP 45 H ASP 45 14.171 -8.987 1.612
336 HA ASP 45 HA ASP 45 13.491 -7.844 -1.017
337 HB2 ASP 45 2HB ASP 45 15.786 -8.508 -0.724
338 HB3 ASP 45 1HB ASP 45 15.309 -10.103 -0.144
339 H MET 46 H MET 46 12.820 -10.753 0.880
340 HA MET 46 HA MET 46 11.746 -12.477 -0.995
341 HB2 MET 46 2HB MET 46 11.570 -12.174 1.806
342 HB3 MET 46 1HB MET 46 9.914 -12.349 1.221
343 HG2 MET 46 2HG MET 46 12.161 -14.190 0.369
344 HG3 MET 46 1HG MET 46 11.115 -14.530 1.746
345 HE1 MET 46 3HE MET 46 9.068 -15.038 1.886
346 HE2 MET 46 1HE MET 46 8.059 -15.826 0.665
347 HE3 MET 46 2HE MET 46 7.956 -14.084 0.908
348 HA PRO 47 HA PRO 47 7.607 -10.112 -0.981
349 HB2 PRO 47 2HB PRO 47 7.538 -7.715 0.381
350 HB3 PRO 47 1HB PRO 47 7.119 -9.278 1.094
351 HG2 PRO 47 2HG PRO 47 9.536 -7.606 1.509
352 HG3 PRO 47 1HG PRO 47 8.847 -8.856 2.558
353 HD2 PRO 47 2HD PRO 47 11.091 -9.127 0.824
354 HD3 PRO 47 1HD PRO 47 10.297 -10.427 1.729
355 H GLY 48 H GLY 48 6.878 -8.664 -2.543
356 HA2 GLY 48 2HA GLY 48 8.769 -6.616 -3.541
357 HA3 GLY 48 1HA GLY 48 8.089 -7.780 -4.675
358 HA PRO 49 HA PRO 49 4.330 -5.264 -3.115
359 HB2 PRO 49 2HB PRO 49 4.767 -3.454 -1.084
360 HB3 PRO 49 1HB PRO 49 4.380 -5.159 -0.821
361 HG2 PRO 49 2HG PRO 49 6.981 -3.769 -0.528
362 HG3 PRO 49 1HG PRO 49 6.374 -5.211 0.298
363 HD2 PRO 49 2HD PRO 49 8.208 -5.189 -1.850
364 HD3 PRO 49 1HD PRO 49 7.340 -6.604 -1.224
365 H TYR 50 H TYR 50 4.076 -2.467 -2.503
366 HA TYR 50 HA TYR 50 5.695 -1.275 -4.715
367 HB2 TYR 50 2HB TYR 50 2.975 -1.668 -4.754
368 HB3 TYR 50 1HB TYR 50 3.099 -0.006 -4.176
369 HD1 TYR 50 2HD TYR 50 5.619 0.856 -5.494
370 HD2 TYR 50 1HD TYR 50 2.308 -1.417 -7.021
371 HE1 TYR 50 2HE TYR 50 6.157 1.616 -7.791
372 HE2 TYR 50 1HE TYR 50 2.846 -0.656 -9.320
373 HH TYR 50 HH TYR 50 5.796 1.014 -10.054
374 H CYS 51 H CYS 51 7.099 -0.755 -2.737
375 HA CYS 51 HA CYS 51 6.136 1.443 -0.988
376 HB2 CYS 51 2HB CYS 51 8.606 -0.227 -1.255
377 HB3 CYS 51 1HB CYS 51 8.800 1.402 -0.608
378 H CYS 52 H CYS 52 6.050 3.468 -1.982
379 HA CYS 52 HA CYS 52 8.416 4.283 -3.594
380 HB2 CYS 52 2HB CYS 52 6.243 5.540 -4.860
381 HB3 CYS 52 1HB CYS 52 7.291 4.305 -5.534
382 H GLU 53 H GLU 53 8.941 6.439 -3.397
383 HA GLU 53 HA GLU 53 7.588 7.888 -1.243
384 HB2 GLU 53 2HB GLU 53 9.754 9.141 -2.860
385 HB3 GLU 53 1HB GLU 53 9.454 9.205 -1.122
386 HG2 GLU 53 2HG GLU 53 10.056 6.746 -1.026
387 HG3 GLU 53 1HG GLU 53 10.605 6.893 -2.695
388 H SER 54 H SER 54 6.200 7.421 -3.851
389 HA SER 54 HA SER 54 5.825 10.253 -4.704
390 HB2 SER 54 2HB SER 54 4.491 8.262 -6.357
391 HB3 SER 54 1HB SER 54 5.658 9.495 -6.827
392 HG SER 54 HG SER 54 6.029 6.880 -6.565
393 H ASP 55 H ASP 55 3.757 11.142 -4.477
394 HA ASP 55 HA ASP 55 2.013 9.874 -2.579
395 HB2 ASP 55 2HB ASP 55 1.110 12.086 -4.408
396 HB3 ASP 55 1HB ASP 55 0.667 11.788 -2.730
397 H LYS 56 H LYS 56 -0.050 8.979 -2.911
398 HA LYS 56 HA LYS 56 -1.566 7.580 -4.027
399 HB2 LYS 56 2HB LYS 56 -1.070 9.427 -6.373
400 HB3 LYS 56 1HB LYS 56 -2.539 8.520 -6.007
401 HG2 LYS 56 2HG LYS 56 -2.791 9.831 -3.909
402 HG3 LYS 56 1HG LYS 56 -1.378 10.785 -4.362
403 HD2 LYS 56 2HD LYS 56 -2.675 11.205 -6.587
404 HD3 LYS 56 1HD LYS 56 -4.092 10.702 -5.663
405 HE2 LYS 56 2HE LYS 56 -3.941 12.510 -4.194
406 HE3 LYS 56 1HE LYS 56 -2.224 12.755 -4.513
407 HZ1 LYS 56 3HZ LYS 56 -4.534 13.716 -5.975
408 HZ2 LYS 56 1HZ LYS 56 -3.257 13.151 -6.936
409 HZ3 LYS 56 2HZ LYS 56 -2.985 14.397 -5.813
410 H CYS 57 H CYS 57 1.330 6.901 -4.217
411 HA CYS 57 HA CYS 57 1.748 5.950 -6.943
412 HB2 CYS 57 2HB CYS 57 3.712 6.460 -5.649
413 HB3 CYS 57 1HB CYS 57 3.192 5.397 -4.339
414 H ASN 58 H ASN 58 0.266 4.621 -4.047
415 HA ASN 58 HA ASN 58 0.380 1.926 -5.186
416 HB2 ASN 58 2HB ASN 58 -1.078 1.482 -3.040
417 HB3 ASN 58 1HB ASN 58 0.660 1.708 -2.911
418 HD21 ASN 58 1HD2 ASN 58 0.089 2.383 -0.614
419 HD22 ASN 58 2HD2 ASN 58 -0.429 3.985 -0.346
420 H LEU 59 H LEU 59 -0.935 2.924 -7.062
421 HA LEU 59 HA LEU 59 -3.826 2.493 -6.461
422 HB2 LEU 59 2HB LEU 59 -2.875 4.923 -7.102
423 HB3 LEU 59 1HB LEU 59 -3.060 4.275 -8.726
424 HG LEU 59 HG LEU 59 -5.095 5.495 -7.865
425 HD11 LEU 59 1HD1 LEU 59 -5.448 2.538 -8.431
426 HD12 LEU 59 2HD1 LEU 59 -5.233 3.789 -9.654
427 HD13 LEU 59 3HD1 LEU 59 -6.677 3.783 -8.641
428 HD21 LEU 59 3HD2 LEU 59 -6.295 4.747 -6.031
429 HD22 LEU 59 1HD2 LEU 59 -4.667 4.313 -5.514
430 HD23 LEU 59 2HD2 LEU 59 -5.725 3.087 -6.204
Start of MODEL 6
1 H1 ARG 1 1HT ARG 1 1.610 12.242 4.706
2 H2 ARG 1 2HT ARG 1 2.294 13.795 4.599
3 H3 ARG 1 3HT ARG 1 3.265 12.417 4.381
4 HA ARG 1 HA ARG 1 2.014 13.876 2.429
5 HB2 ARG 1 2HB ARG 1 4.044 12.128 2.600
6 HB3 ARG 1 1HB ARG 1 2.829 11.064 1.890
7 HG2 ARG 1 2HG ARG 1 2.577 13.445 0.455
8 HG3 ARG 1 1HG ARG 1 4.317 13.239 0.654
9 HD2 ARG 1 2HD ARG 1 3.574 10.692 0.036
10 HD3 ARG 1 1HD ARG 1 2.393 11.608 -0.894
11 HE ARG 1 HE ARG 1 4.759 11.202 -1.997
12 HH11 ARG 1 1HH1 ARG 1 3.107 14.046 -1.228
13 HH12 ARG 1 2HH1 ARG 1 4.410 15.107 -1.638
14 HH21 ARG 1 1HH2 ARG 1 6.704 12.557 -2.111
15 HH22 ARG 1 2HH2 ARG 1 6.440 14.269 -2.136
16 H ILE 2 H ILE 2 1.008 12.070 0.530
17 HA ILE 2 HA ILE 2 -1.463 11.027 1.880
18 HB ILE 2 HB ILE 2 -1.228 12.412 -0.804
19 HG12 ILE 2 2HG1 ILE 2 -3.202 13.568 0.803
20 HG13 ILE 2 1HG1 ILE 2 -1.876 13.203 1.905
21 HG21 ILE 2 1HG2 ILE 2 -3.905 12.079 -0.289
22 HG22 ILE 2 2HG2 ILE 2 -3.239 10.573 0.345
23 HG23 ILE 2 3HG2 ILE 2 -2.958 11.022 -1.337
24 HD11 ILE 2 3HD1 ILE 2 -1.701 14.819 -0.649
25 HD12 ILE 2 1HD1 ILE 2 -0.306 14.336 0.318
26 HD13 ILE 2 2HD1 ILE 2 -1.515 15.425 0.997
27 H CYS 3 H CYS 3 -1.445 8.822 1.698
28 HA CYS 3 HA CYS 3 -0.642 7.817 -0.980
29 HB2 CYS 3 2HB CYS 3 -0.075 6.491 1.683
30 HB3 CYS 3 1HB CYS 3 0.209 5.737 0.121
31 H TYR 4 H TYR 4 -1.628 5.639 -1.503
32 HA TYR 4 HA TYR 4 -4.475 5.763 -0.936
33 HB2 TYR 4 2HB TYR 4 -2.722 3.880 -2.518
34 HB3 TYR 4 1HB TYR 4 -4.436 3.541 -2.266
35 HD1 TYR 4 1HD TYR 4 -5.874 5.928 -2.490
36 HD2 TYR 4 2HD TYR 4 -2.295 4.843 -4.601
37 HE1 TYR 4 1HE TYR 4 -6.460 7.513 -4.302
38 HE2 TYR 4 2HE TYR 4 -2.881 6.434 -6.407
39 HH TYR 4 HH TYR 4 -4.559 7.691 -7.273
40 H ASN 5 H ASN 5 -5.674 4.346 0.387
41 HA ASN 5 HA ASN 5 -3.995 2.658 2.182
42 HB2 ASN 5 2HB ASN 5 -4.856 4.146 3.674
43 HB3 ASN 5 1HB ASN 5 -6.252 4.517 2.667
44 HD21 ASN 5 1HD2 ASN 5 -5.033 1.468 4.159
45 HD22 ASN 5 2HD2 ASN 5 -6.513 1.058 4.872
46 H HIS 6 H HIS 6 -6.778 2.515 0.013
47 HA HIS 6 HA HIS 6 -7.881 0.167 1.237
48 HB2 HIS 6 2HB HIS 6 -8.935 1.748 -0.587
49 HB3 HIS 6 1HB HIS 6 -8.311 0.507 -1.660
50 HD1 HIS 6 1HD HIS 6 -10.181 0.479 1.674
51 HD2 HIS 6 2HD HIS 6 -10.174 -1.455 -2.026
52 HE1 HIS 6 1HE HIS 6 -12.040 -1.241 1.761
53 H LEU 7 H LEU 7 -8.169 -1.877 -0.066
54 HA LEU 7 HA LEU 7 -5.465 -2.793 -0.887
55 HB2 LEU 7 2HB LEU 7 -6.493 -5.102 -0.424
56 HB3 LEU 7 1HB LEU 7 -6.201 -4.069 0.976
57 HG LEU 7 HG LEU 7 -8.834 -3.733 -0.347
58 HD11 LEU 7 1HD1 LEU 7 -8.417 -6.223 -0.378
59 HD12 LEU 7 2HD1 LEU 7 -9.795 -5.734 0.608
60 HD13 LEU 7 3HD1 LEU 7 -8.266 -6.159 1.377
61 HD21 LEU 7 3HD2 LEU 7 -7.583 -3.564 2.343
62 HD22 LEU 7 1HD2 LEU 7 -9.276 -4.058 2.308
63 HD23 LEU 7 2HD2 LEU 7 -8.792 -2.519 1.597
64 H GLY 8 H GLY 8 -5.947 -5.013 -2.197
65 HA2 GLY 8 2HA GLY 8 -6.015 -5.124 -4.698
66 HA3 GLY 8 1HA GLY 8 -7.398 -5.956 -4.010
67 H THR 9 H THR 9 -9.277 -4.121 -3.505
68 HA THR 9 HA THR 9 -10.454 -3.468 -5.913
69 HB THR 9 HB THR 9 -10.699 -1.386 -3.788
70 HG1 THR 9 1HG THR 9 -12.203 -3.238 -2.929
71 HG21 THR 9 3HG2 THR 9 -12.329 -1.115 -5.406
72 HG22 THR 9 1HG2 THR 9 -13.178 -2.186 -4.291
73 HG23 THR 9 2HG2 THR 9 -12.427 -2.844 -5.745
74 H LYS 10 H LYS 10 -9.826 -2.255 -7.570
75 HA LYS 10 HA LYS 10 -7.513 -0.782 -7.775
76 HB2 LYS 10 2HB LYS 10 -9.837 -1.132 -9.394
77 HB3 LYS 10 1HB LYS 10 -9.351 0.564 -9.441
78 HG2 LYS 10 2HG LYS 10 -7.469 -1.766 -9.904
79 HG3 LYS 10 1HG LYS 10 -8.212 -0.811 -11.188
80 HD2 LYS 10 2HD LYS 10 -7.120 1.208 -10.397
81 HD3 LYS 10 1HD LYS 10 -6.488 0.357 -8.986
82 HE2 LYS 10 2HE LYS 10 -4.787 -0.573 -10.162
83 HE3 LYS 10 1HE LYS 10 -5.819 -0.927 -11.548
84 HZ1 LYS 10 3HZ LYS 10 -4.471 0.690 -12.402
85 HZ2 LYS 10 1HZ LYS 10 -4.309 1.511 -10.927
86 HZ3 LYS 10 2HZ LYS 10 -5.748 1.649 -11.821
87 HA PRO 11 HA PRO 11 -9.652 3.334 -6.626
88 HB2 PRO 11 2HB PRO 11 -12.335 3.244 -6.044
89 HB3 PRO 11 1HB PRO 11 -11.709 3.469 -7.687
90 HG2 PRO 11 2HG PRO 11 -12.910 1.024 -6.453
91 HG3 PRO 11 1HG PRO 11 -12.911 1.542 -8.147
92 HD2 PRO 11 2HD PRO 11 -11.211 -0.432 -7.052
93 HD3 PRO 11 1HD PRO 11 -10.983 0.395 -8.602
94 HA PRO 12 HA PRO 12 -9.649 1.805 -2.346
95 HB2 PRO 12 2HB PRO 12 -7.292 3.025 -1.662
96 HB3 PRO 12 1HB PRO 12 -7.332 1.498 -2.553
97 HG2 PRO 12 2HG PRO 12 -6.545 4.140 -3.485
98 HG3 PRO 12 1HG PRO 12 -6.267 2.578 -4.254
99 HD2 PRO 12 2HD PRO 12 -8.335 4.552 -4.875
100 HD3 PRO 12 1HD PRO 12 -7.939 3.069 -5.753
101 H THR 13 H THR 13 -8.540 3.492 -0.385
102 HA THR 13 HA THR 13 -9.959 6.094 -0.740
103 HB THR 13 HB THR 13 -10.668 6.031 1.567
104 HG1 THR 13 1HG THR 13 -9.406 3.496 1.697
105 HG21 THR 13 3HG2 THR 13 -12.431 4.952 0.629
106 HG22 THR 13 1HG2 THR 13 -11.765 3.511 1.397
107 HG23 THR 13 2HG2 THR 13 -11.387 3.867 -0.289
108 H THR 14 H THR 14 -8.242 7.480 -0.897
109 HA THR 14 HA THR 14 -5.622 6.988 -0.164
110 HB THR 14 HB THR 14 -5.370 9.498 0.123
111 HG1 THR 14 1HG THR 14 -8.123 9.351 -0.560
112 HG21 THR 14 3HG2 THR 14 -6.615 9.561 -2.390
113 HG22 THR 14 1HG2 THR 14 -6.074 7.897 -2.168
114 HG23 THR 14 2HG2 THR 14 -4.919 9.223 -2.046
115 H GLU 15 H GLU 15 -4.335 7.800 1.605
116 HA GLU 15 HA GLU 15 -5.746 8.270 4.161
117 HB2 GLU 15 2HB GLU 15 -5.586 5.829 4.079
118 HB3 GLU 15 1HB GLU 15 -3.866 5.931 3.699
119 HG2 GLU 15 2HG GLU 15 -4.444 5.466 6.144
120 HG3 GLU 15 1HG GLU 15 -3.344 6.815 5.855
121 H THR 16 H THR 16 -4.753 10.189 4.581
122 HA THR 16 HA THR 16 -2.079 10.824 3.786
123 HB THR 16 HB THR 16 -2.662 12.463 5.974
124 HG1 THR 16 1HG THR 16 -4.814 12.832 5.890
125 HG21 THR 16 3HG2 THR 16 -1.867 13.259 3.826
126 HG22 THR 16 1HG2 THR 16 -3.381 14.078 4.206
127 HG23 THR 16 2HG2 THR 16 -3.364 12.751 3.044
128 H CYS 17 H CYS 17 -0.180 10.430 4.765
129 HA CYS 17 HA CYS 17 -0.140 9.601 7.626
130 HB2 CYS 17 2HB CYS 17 1.258 8.176 5.337
131 HB3 CYS 17 1HB CYS 17 1.544 7.848 7.045
132 H GLN 18 H GLN 18 2.599 9.259 7.882
133 HA GLN 18 HA GLN 18 3.533 12.008 7.266
134 HB2 GLN 18 2HB GLN 18 3.832 11.154 9.570
135 HB3 GLN 18 1HB GLN 18 4.859 9.868 8.942
136 HG2 GLN 18 2HG GLN 18 6.147 11.889 9.746
137 HG3 GLN 18 1HG GLN 18 6.453 11.453 8.072
138 HE21 GLN 18 1HE2 GLN 18 5.363 12.771 6.370
139 HE22 GLN 18 2HE2 GLN 18 4.820 14.341 6.711
140 H GLU 19 H GLU 19 4.362 8.646 6.750
141 HA GLU 19 HA GLU 19 6.850 9.167 5.428
142 HB2 GLU 19 2HB GLU 19 5.476 6.822 4.355
143 HB3 GLU 19 1HB GLU 19 7.018 6.925 5.190
144 HG2 GLU 19 2HG GLU 19 4.277 6.832 6.483
145 HG3 GLU 19 1HG GLU 19 5.503 5.567 6.519
146 H ASP 20 H ASP 20 7.206 10.012 3.472
147 HA ASP 20 HA ASP 20 4.974 10.740 1.755
148 HB2 ASP 20 2HB ASP 20 7.529 10.852 0.376
149 HB3 ASP 20 1HB ASP 20 6.434 12.166 0.789
150 H SER 21 H SER 21 6.716 7.927 2.254
151 HA SER 21 HA SER 21 6.578 6.975 -0.496
152 HB2 SER 21 2HB SER 21 7.250 5.568 2.095
153 HB3 SER 21 1HB SER 21 7.350 4.809 0.511
154 HG SER 21 HG SER 21 8.844 6.966 1.563
155 H CYS 22 H CYS 22 5.300 4.884 -0.913
156 HA CYS 22 HA CYS 22 2.887 4.642 0.817
157 HB2 CYS 22 2HB CYS 22 2.645 4.721 -2.195
158 HB3 CYS 22 1HB CYS 22 1.363 4.835 -0.996
159 H TYR 23 H TYR 23 2.386 2.426 1.064
160 HA TYR 23 HA TYR 23 4.035 0.645 -0.651
161 HB2 TYR 23 2HB TYR 23 4.051 -0.980 1.027
162 HB3 TYR 23 1HB TYR 23 4.235 0.521 1.899
163 HD1 TYR 23 1HD TYR 23 1.640 -1.914 0.739
164 HD2 TYR 23 2HD TYR 23 2.691 1.031 3.682
165 HE1 TYR 23 1HE TYR 23 -0.358 -2.512 2.065
166 HE2 TYR 23 2HE TYR 23 0.691 0.435 4.997
167 HH TYR 23 HH TYR 23 -1.646 -0.637 4.404
168 H LYS 24 H LYS 24 3.201 -0.810 -1.902
169 HA LYS 24 HA LYS 24 0.322 -1.507 -1.694
170 HB2 LYS 24 2HB LYS 24 0.860 0.300 -3.493
171 HB3 LYS 24 1HB LYS 24 1.580 -1.038 -4.371
172 HG2 LYS 24 2HG LYS 24 -0.664 -2.259 -3.766
173 HG3 LYS 24 1HG LYS 24 -1.269 -0.609 -3.633
174 HD2 LYS 24 2HD LYS 24 0.185 -0.481 -5.945
175 HD3 LYS 24 1HD LYS 24 -0.472 -2.116 -6.021
176 HE2 LYS 24 2HE LYS 24 -2.653 -0.683 -5.175
177 HE3 LYS 24 1HE LYS 24 -1.855 0.476 -6.238
178 HZ1 LYS 24 3HZ LYS 24 -2.758 -2.267 -6.902
179 HZ2 LYS 24 1HZ LYS 24 -1.712 -1.381 -7.899
180 HZ3 LYS 24 2HZ LYS 24 -3.281 -0.806 -7.590
181 H ASN 25 H ASN 25 0.911 -3.507 -0.922
182 HA ASN 25 HA ASN 25 2.940 -5.052 -2.401
183 HB2 ASN 25 2HB ASN 25 1.544 -6.223 -0.045
184 HB3 ASN 25 1HB ASN 25 3.250 -6.269 -0.474
185 HD21 ASN 25 1HD2 ASN 25 3.355 -3.270 -0.859
186 HD22 ASN 25 2HD2 ASN 25 3.309 -2.630 0.709
187 H ILE 26 H ILE 26 2.493 -7.229 -3.119
188 HA ILE 26 HA ILE 26 -0.139 -7.427 -4.361
189 HB ILE 26 HB ILE 26 0.726 -9.291 -5.547
190 HG12 ILE 26 2HG1 ILE 26 1.646 -10.375 -3.407
191 HG13 ILE 26 1HG1 ILE 26 2.571 -10.622 -4.883
192 HG21 ILE 26 1HG2 ILE 26 3.046 -8.472 -6.218
193 HG22 ILE 26 2HG2 ILE 26 2.854 -7.230 -4.980
194 HG23 ILE 26 3HG2 ILE 26 1.740 -7.292 -6.346
195 HD11 ILE 26 3HD1 ILE 26 3.264 -9.068 -2.454
196 HD12 ILE 26 1HD1 ILE 26 3.750 -8.349 -3.985
197 HD13 ILE 26 2HD1 ILE 26 4.311 -9.960 -3.556
198 H TRP 27 H TRP 27 1.432 -8.741 -1.542
199 HA TRP 27 HA TRP 27 -0.989 -10.436 -1.102
200 HB2 TRP 27 2HB TRP 27 0.756 -11.471 0.681
201 HB3 TRP 27 1HB TRP 27 0.558 -12.102 -0.951
202 HD1 TRP 27 HD TRP 27 2.550 -9.064 0.431
203 HE1 TRP 27 1HE TRP 27 4.949 -9.200 -0.514
204 HE3 TRP 27 3HE TRP 27 2.209 -13.408 -2.231
205 HZ2 TRP 27 2HZ TRP 27 6.515 -10.930 -2.166
206 HZ3 TRP 27 3HZ TRP 27 4.166 -14.279 -3.474
207 HH2 TRP 27 HH TRP 27 6.318 -13.048 -3.445
208 H THR 28 H THR 28 -1.371 -10.777 1.335
209 HA THR 28 HA THR 28 -0.503 -8.589 3.076
210 HB THR 28 HB THR 28 -3.351 -8.792 2.075
211 HG1 THR 28 1HG THR 28 -2.935 -6.870 1.176
212 HG21 THR 28 3HG2 THR 28 -3.668 -6.793 3.639
213 HG22 THR 28 1HG2 THR 28 -2.144 -7.267 4.389
214 HG23 THR 28 2HG2 THR 28 -3.521 -8.368 4.417
215 H PHE 29 H PHE 29 -1.650 -8.843 5.281
216 HA PHE 29 HA PHE 29 -1.342 -11.427 6.301
217 HB2 PHE 29 2HB PHE 29 -2.753 -8.974 7.196
218 HB3 PHE 29 1HB PHE 29 -3.275 -10.477 7.960
219 HD1 PHE 29 1HD PHE 29 -0.768 -12.048 7.962
220 HD2 PHE 29 2HD PHE 29 -1.442 -7.897 8.838
221 HE1 PHE 29 1HE PHE 29 1.258 -12.021 9.389
222 HE2 PHE 29 2HE PHE 29 0.586 -7.871 10.267
223 HZ PHE 29 HZ PHE 29 1.936 -9.932 10.542
224 H ASP 30 H ASP 30 -4.429 -9.901 5.290
225 HA ASP 30 HA ASP 30 -5.461 -12.664 4.805
226 HB2 ASP 30 2HB ASP 30 -6.326 -11.360 6.924
227 HB3 ASP 30 1HB ASP 30 -7.311 -10.496 5.742
228 H ASN 31 H ASN 31 -4.985 -9.499 3.594
229 HA ASN 31 HA ASN 31 -7.071 -9.878 1.502
230 HB2 ASN 31 2HB ASN 31 -5.314 -7.454 1.966
231 HB3 ASN 31 1HB ASN 31 -6.771 -7.543 0.976
232 HD21 ASN 31 1HD2 ASN 31 -5.576 -7.195 4.252
233 HD22 ASN 31 2HD2 ASN 31 -7.092 -7.009 4.992
234 H ILE 32 H ILE 32 -6.072 -8.715 -0.688
235 HA ILE 32 HA ILE 32 -3.698 -10.404 -1.312
236 HB ILE 32 HB ILE 32 -5.145 -8.992 -3.496
237 HG12 ILE 32 2HG1 ILE 32 -7.038 -9.663 -2.107
238 HG13 ILE 32 1HG1 ILE 32 -6.928 -10.753 -3.490
239 HG21 ILE 32 1HG2 ILE 32 -4.894 -11.361 -4.451
240 HG22 ILE 32 2HG2 ILE 32 -3.943 -11.722 -3.010
241 HG23 ILE 32 3HG2 ILE 32 -3.401 -10.477 -4.136
242 HD11 ILE 32 3HD1 ILE 32 -5.337 -11.629 -1.181
243 HD12 ILE 32 1HD1 ILE 32 -6.462 -12.545 -2.183
244 HD13 ILE 32 2HD1 ILE 32 -7.069 -11.555 -0.855
245 H ILE 33 H ILE 33 -4.842 -7.330 -2.752
246 HA ILE 33 HA ILE 33 -2.041 -6.359 -2.566
247 HB ILE 33 HB ILE 33 -4.155 -4.819 -3.998
248 HG12 ILE 33 2HG1 ILE 33 -4.512 -7.223 -4.576
249 HG13 ILE 33 1HG1 ILE 33 -4.003 -6.248 -5.956
250 HG21 ILE 33 1HG2 ILE 33 -1.211 -5.376 -4.298
251 HG22 ILE 33 2HG2 ILE 33 -2.027 -3.824 -4.105
252 HG23 ILE 33 3HG2 ILE 33 -2.145 -4.699 -5.632
253 HD11 ILE 33 3HD1 ILE 33 -1.805 -7.107 -5.892
254 HD12 ILE 33 1HD1 ILE 33 -2.816 -8.519 -5.586
255 HD13 ILE 33 2HD1 ILE 33 -1.997 -7.714 -4.247
256 H ARG 34 H ARG 34 -1.563 -4.388 -1.462
257 HA ARG 34 HA ARG 34 -3.875 -2.952 -0.348
258 HB2 ARG 34 2HB ARG 34 -2.995 -4.807 1.271
259 HB3 ARG 34 1HB ARG 34 -1.765 -3.592 1.636
260 HG2 ARG 34 2HG ARG 34 -3.278 -2.139 2.562
261 HG3 ARG 34 1HG ARG 34 -4.548 -2.603 1.453
262 HD2 ARG 34 2HD ARG 34 -5.430 -4.007 2.978
263 HD3 ARG 34 1HD ARG 34 -3.890 -4.850 3.133
264 HE ARG 34 HE ARG 34 -3.268 -3.129 4.852
265 HH11 ARG 34 1HH2 ARG 34 -6.100 -1.918 3.750
266 HH12 ARG 34 2HH2 ARG 34 -6.949 -1.941 5.260
267 HH21 ARG 34 1HH1 ARG 34 -4.555 -3.852 6.884
268 HH22 ARG 34 2HH1 ARG 34 -6.076 -3.034 7.032
269 H ARG 35 H ARG 35 -3.588 -0.992 -0.909
270 HA ARG 35 HA ARG 35 -0.966 0.266 -1.240
271 HB2 ARG 35 2HB ARG 35 -3.652 1.625 -1.331
272 HB3 ARG 35 1HB ARG 35 -2.186 2.076 -2.186
273 HG2 ARG 35 2HG ARG 35 -2.665 0.694 -3.909
274 HG3 ARG 35 1HG ARG 35 -3.043 -0.643 -2.828
275 HD2 ARG 35 2HD ARG 35 -5.239 0.628 -2.343
276 HD3 ARG 35 1HD ARG 35 -4.857 1.556 -3.791
277 HE ARG 35 HE ARG 35 -5.697 -1.252 -3.715
278 HH11 ARG 35 1HH1 ARG 35 -4.076 1.270 -5.436
279 HH12 ARG 35 2HH1 ARG 35 -4.359 0.565 -6.989
280 HH21 ARG 35 1HH2 ARG 35 -6.069 -2.178 -5.734
281 HH22 ARG 35 2HH2 ARG 35 -5.474 -1.393 -7.159
282 H GLY 36 H GLY 36 0.004 1.387 0.396
283 HA2 GLY 36 2HA GLY 36 -1.690 2.599 2.514
284 HA3 GLY 36 1HA GLY 36 -0.396 1.512 2.999
285 H CYS 37 H CYS 37 0.567 3.320 4.124
286 HA CYS 37 HA CYS 37 1.959 5.246 2.304
287 HB2 CYS 37 2HB CYS 37 2.066 6.542 4.665
288 HB3 CYS 37 1HB CYS 37 0.728 6.748 3.537
289 H GLY 38 H GLY 38 4.111 4.724 2.209
290 HA2 GLY 38 2HA GLY 38 6.289 4.366 3.104
291 HA3 GLY 38 1HA GLY 38 5.567 4.157 4.705
292 H CYS 39 H CYS 39 7.454 2.282 3.398
293 HA CYS 39 HA CYS 39 6.022 0.085 2.257
294 HB2 CYS 39 2HB CYS 39 8.488 -0.151 3.969
295 HB3 CYS 39 1HB CYS 39 7.991 -1.224 2.670
296 H PHE 40 H PHE 40 5.347 -1.932 3.324
297 HA PHE 40 HA PHE 40 3.934 -1.411 5.767
298 HB2 PHE 40 2HB PHE 40 3.567 -3.924 5.786
299 HB3 PHE 40 1HB PHE 40 3.025 -3.078 4.348
300 HD1 PHE 40 2HD PHE 40 6.589 -3.183 4.439
301 HD2 PHE 40 1HD PHE 40 3.126 -5.540 3.500
302 HE1 PHE 40 2HE PHE 40 7.978 -4.644 3.014
303 HE2 PHE 40 1HE PHE 40 4.521 -7.007 2.072
304 HZ PHE 40 HZ PHE 40 6.946 -6.574 1.842
305 H THR 41 H THR 41 4.194 -2.843 7.759
306 HA THR 41 HA THR 41 6.835 -2.376 8.825
307 HB THR 41 HB THR 41 4.765 -4.041 10.220
308 HG1 THR 41 1HG THR 41 3.447 -2.433 10.092
309 HG21 THR 41 3HG2 THR 41 7.100 -2.339 10.916
310 HG22 THR 41 1HG2 THR 41 6.525 -3.825 11.671
311 HG23 THR 41 2HG2 THR 41 5.725 -2.292 12.020
312 HA PRO 42 HA PRO 42 7.190 -7.111 8.918
313 HB2 PRO 42 2HB PRO 42 5.319 -8.569 7.524
314 HB3 PRO 42 1HB PRO 42 5.138 -8.108 9.225
315 HG2 PRO 42 2HG PRO 42 3.728 -7.038 6.846
316 HG3 PRO 42 1HG PRO 42 3.251 -6.981 8.550
317 HD2 PRO 42 2HD PRO 42 4.432 -4.880 7.006
318 HD3 PRO 42 1HD PRO 42 4.057 -4.837 8.738
319 H ARG 43 H ARG 43 8.229 -5.366 6.983
320 HA ARG 43 HA ARG 43 8.042 -6.455 4.311
321 HB2 ARG 43 2HB ARG 43 9.802 -4.929 3.751
322 HB3 ARG 43 1HB ARG 43 8.807 -4.107 4.948
323 HG2 ARG 43 2HG ARG 43 10.632 -5.511 6.498
324 HG3 ARG 43 1HG ARG 43 11.598 -4.951 5.132
325 HD2 ARG 43 2HD ARG 43 11.189 -2.698 5.595
326 HD3 ARG 43 1HD ARG 43 9.714 -3.048 6.496
327 HE ARG 43 HE ARG 43 11.484 -4.181 8.143
328 HH11 ARG 43 1HH1 ARG 43 10.663 -1.081 7.830
329 HH12 ARG 43 2HH1 ARG 43 12.183 -0.381 8.276
330 HH21 ARG 43 1HH2 ARG 43 13.923 -3.374 8.070
331 HH22 ARG 43 2HH2 ARG 43 14.030 -1.679 8.412
332 H GLY 44 H GLY 44 10.853 -6.570 3.690
333 HA2 GLY 44 2HA GLY 44 12.664 -8.043 4.915
334 HA3 GLY 44 1HA GLY 44 11.408 -9.264 4.741
335 H ASP 45 H ASP 45 13.514 -10.080 3.467
336 HA ASP 45 HA ASP 45 13.653 -8.977 0.736
337 HB2 ASP 45 2HB ASP 45 15.388 -10.492 2.428
338 HB3 ASP 45 1HB ASP 45 15.079 -11.445 0.975
339 H MET 46 H MET 46 11.698 -11.166 2.358
340 HA MET 46 HA MET 46 11.393 -13.095 0.189
341 HB2 MET 46 2HB MET 46 10.473 -12.819 2.922
342 HB3 MET 46 1HB MET 46 9.142 -13.261 1.854
343 HG2 MET 46 2HG MET 46 11.814 -14.688 1.874
344 HG3 MET 46 1HG MET 46 10.409 -15.233 2.789
345 HE1 MET 46 3HE MET 46 9.807 -17.891 0.358
346 HE2 MET 46 1HE MET 46 10.194 -17.328 1.990
347 HE3 MET 46 2HE MET 46 11.460 -17.447 0.771
348 HA PRO 47 HA PRO 47 7.384 -10.612 -0.505
349 HB2 PRO 47 2HB PRO 47 7.022 -8.341 0.987
350 HB3 PRO 47 1HB PRO 47 6.466 -9.946 1.486
351 HG2 PRO 47 2HG PRO 47 8.743 -8.350 2.529
352 HG3 PRO 47 1HG PRO 47 7.844 -9.661 3.312
353 HD2 PRO 47 2HD PRO 47 10.410 -9.847 2.070
354 HD3 PRO 47 1HD PRO 47 9.437 -11.193 2.695
355 H GLY 48 H GLY 48 7.018 -9.000 -2.026
356 HA2 GLY 48 2HA GLY 48 9.095 -6.930 -2.381
357 HA3 GLY 48 1HA GLY 48 8.697 -7.975 -3.743
358 HA PRO 49 HA PRO 49 4.712 -5.439 -2.607
359 HB2 PRO 49 2HB PRO 49 5.199 -3.245 -1.023
360 HB3 PRO 49 1HB PRO 49 4.717 -4.828 -0.387
361 HG2 PRO 49 2HG PRO 49 7.457 -3.597 -0.494
362 HG3 PRO 49 1HG PRO 49 6.727 -4.576 0.774
363 HD2 PRO 49 2HD PRO 49 8.504 -5.633 -1.023
364 HD3 PRO 49 1HD PRO 49 7.202 -6.591 -0.301
365 H TYR 50 H TYR 50 4.405 -2.706 -2.641
366 HA TYR 50 HA TYR 50 6.222 -1.794 -4.825
367 HB2 TYR 50 2HB TYR 50 3.577 -2.446 -5.191
368 HB3 TYR 50 1HB TYR 50 3.475 -0.717 -4.858
369 HD1 TYR 50 1HD TYR 50 5.282 -3.228 -6.954
370 HD2 TYR 50 2HD TYR 50 4.033 0.860 -6.523
371 HE1 TYR 50 1HE TYR 50 6.080 -2.741 -9.251
372 HE2 TYR 50 2HE TYR 50 4.830 1.346 -8.820
373 HH TYR 50 HH TYR 50 6.870 -0.128 -10.405
374 H CYS 51 H CYS 51 7.241 -0.885 -2.732
375 HA CYS 51 HA CYS 51 5.867 1.317 -1.377
376 HB2 CYS 51 2HB CYS 51 8.205 -0.140 -0.925
377 HB3 CYS 51 1HB CYS 51 8.776 1.462 -1.400
378 H CYS 52 H CYS 52 5.602 3.272 -2.265
379 HA CYS 52 HA CYS 52 7.515 4.125 -4.411
380 HB2 CYS 52 2HB CYS 52 5.329 3.590 -5.387
381 HB3 CYS 52 1HB CYS 52 4.542 4.700 -4.274
382 H GLU 53 H GLU 53 7.707 6.478 -4.580
383 HA GLU 53 HA GLU 53 7.204 7.783 -1.945
384 HB2 GLU 53 2HB GLU 53 9.420 8.669 -3.759
385 HB3 GLU 53 1HB GLU 53 9.272 8.827 -2.006
386 HG2 GLU 53 2HG GLU 53 9.710 6.521 -1.646
387 HG3 GLU 53 1HG GLU 53 9.505 6.139 -3.355
388 H SER 54 H SER 54 5.127 8.121 -3.268
389 HA SER 54 HA SER 54 5.113 10.907 -4.129
390 HB2 SER 54 2HB SER 54 3.717 9.505 -6.201
391 HB3 SER 54 1HB SER 54 5.097 10.586 -6.362
392 HG SER 54 HG SER 54 6.450 8.816 -5.961
393 H ASP 55 H ASP 55 2.877 11.703 -4.140
394 HA ASP 55 HA ASP 55 1.214 10.260 -2.287
395 HB2 ASP 55 2HB ASP 55 0.113 12.402 -4.080
396 HB3 ASP 55 1HB ASP 55 -0.235 12.079 -2.383
397 H LYS 56 H LYS 56 -0.853 9.287 -2.712
398 HA LYS 56 HA LYS 56 -2.031 7.607 -3.902
399 HB2 LYS 56 2HB LYS 56 -3.034 8.571 -6.033
400 HB3 LYS 56 1HB LYS 56 -3.302 9.532 -4.580
401 HG2 LYS 56 2HG LYS 56 -1.412 10.982 -5.183
402 HG3 LYS 56 1HG LYS 56 -1.114 10.013 -6.623
403 HD2 LYS 56 2HD LYS 56 -3.611 10.522 -7.189
404 HD3 LYS 56 1HD LYS 56 -3.434 11.836 -6.025
405 HE2 LYS 56 2HE LYS 56 -1.381 11.477 -8.191
406 HE3 LYS 56 1HE LYS 56 -2.905 12.288 -8.552
407 HZ1 LYS 56 3HZ LYS 56 -1.045 13.042 -6.364
408 HZ2 LYS 56 1HZ LYS 56 -2.484 13.841 -6.770
409 HZ3 LYS 56 2HZ LYS 56 -1.177 13.845 -7.855
410 H CYS 57 H CYS 57 0.854 7.428 -4.249
411 HA CYS 57 HA CYS 57 1.321 6.939 -7.101
412 HB2 CYS 57 2HB CYS 57 3.078 7.783 -5.510
413 HB3 CYS 57 1HB CYS 57 3.070 6.194 -4.747
414 H ASN 58 H ASN 58 0.028 5.108 -4.505
415 HA ASN 58 HA ASN 58 0.823 2.581 -5.800
416 HB2 ASN 58 2HB ASN 58 -0.472 1.620 -3.730
417 HB3 ASN 58 1HB ASN 58 1.151 2.275 -3.527
418 HD21 ASN 58 1HD2 ASN 58 -0.072 2.361 -1.210
419 HD22 ASN 58 2HD2 ASN 58 -0.756 3.874 -0.847
420 H LEU 59 H LEU 59 -0.785 3.643 -7.545
421 HA LEU 59 HA LEU 59 -3.478 2.461 -6.987
422 HB2 LEU 59 2HB LEU 59 -3.007 5.078 -7.597
423 HB3 LEU 59 1HB LEU 59 -3.251 4.405 -9.205
424 HG LEU 59 HG LEU 59 -5.377 5.195 -8.146
425 HD11 LEU 59 1HD1 LEU 59 -5.180 2.196 -8.565
426 HD12 LEU 59 2HD1 LEU 59 -5.379 3.393 -9.844
427 HD13 LEU 59 3HD1 LEU 59 -6.658 3.154 -8.654
428 HD21 LEU 59 3HD2 LEU 59 -5.708 2.921 -6.387
429 HD22 LEU 59 1HD2 LEU 59 -5.879 4.637 -6.018
430 HD23 LEU 59 2HD2 LEU 59 -4.299 3.863 -5.900
Start of MODEL 7
1 H1 ARG 1 1HT ARG 1 3.380 12.032 2.853
2 H2 ARG 1 2HT ARG 1 2.164 10.848 2.936
3 H3 ARG 1 3HT ARG 1 2.240 12.076 4.108
4 HA ARG 1 HA ARG 1 1.281 13.623 2.791
5 HB2 ARG 1 2HB ARG 1 1.665 13.807 0.435
6 HB3 ARG 1 1HB ARG 1 3.205 13.340 1.145
7 HG2 ARG 1 2HG ARG 1 1.513 11.041 0.403
8 HG3 ARG 1 1HG ARG 1 1.999 12.032 -0.960
9 HD2 ARG 1 2HD ARG 1 3.952 11.127 1.109
10 HD3 ARG 1 1HD ARG 1 3.557 10.121 -0.271
11 HE ARG 1 HE ARG 1 4.943 11.504 -1.550
12 HH11 ARG 1 1HH1 ARG 1 5.409 12.715 1.438
13 HH12 ARG 1 2HH1 ARG 1 5.563 14.376 0.979
14 HH21 ARG 1 1HH2 ARG 1 4.432 13.869 -2.256
15 HH22 ARG 1 2HH2 ARG 1 5.010 15.030 -1.107
16 H ILE 2 H ILE 2 0.087 12.656 0.115
17 HA ILE 2 HA ILE 2 -2.114 11.111 1.391
18 HB ILE 2 HB ILE 2 -1.939 12.414 -1.337
19 HG12 ILE 2 2HG1 ILE 2 -3.925 13.558 0.297
20 HG13 ILE 2 1HG1 ILE 2 -2.514 13.332 1.333
21 HG21 ILE 2 1HG2 ILE 2 -3.449 10.490 -1.341
22 HG22 ILE 2 2HG2 ILE 2 -4.405 11.972 -1.339
23 HG23 ILE 2 3HG2 ILE 2 -4.207 11.049 0.150
24 HD11 ILE 2 3HD1 ILE 2 -1.391 15.005 0.315
25 HD12 ILE 2 1HD1 ILE 2 -2.907 15.427 -0.480
26 HD13 ILE 2 2HD1 ILE 2 -1.758 14.357 -1.283
27 H CYS 3 H CYS 3 -1.250 8.997 1.433
28 HA CYS 3 HA CYS 3 -0.409 7.965 -1.213
29 HB2 CYS 3 2HB CYS 3 -0.079 6.780 1.562
30 HB3 CYS 3 1HB CYS 3 0.363 5.935 0.086
31 H TYR 4 H TYR 4 -1.199 5.529 -1.526
32 HA TYR 4 HA TYR 4 -4.120 5.672 -1.318
33 HB2 TYR 4 2HB TYR 4 -2.173 3.806 -2.629
34 HB3 TYR 4 1HB TYR 4 -3.814 3.246 -2.329
35 HD1 TYR 4 1HD TYR 4 -5.747 4.362 -3.376
36 HD2 TYR 4 2HD TYR 4 -1.719 5.570 -4.238
37 HE1 TYR 4 1HE TYR 4 -6.547 5.614 -5.363
38 HE2 TYR 4 2HE TYR 4 -2.516 6.822 -6.224
39 HH TYR 4 HH TYR 4 -5.367 7.846 -6.726
40 H ASN 5 H ASN 5 -5.368 4.482 0.070
41 HA ASN 5 HA ASN 5 -3.947 2.844 2.110
42 HB2 ASN 5 2HB ASN 5 -4.956 4.619 3.283
43 HB3 ASN 5 1HB ASN 5 -6.362 4.645 2.228
44 HD21 ASN 5 1HD2 ASN 5 -5.012 1.659 3.616
45 HD22 ASN 5 2HD2 ASN 5 -6.348 1.319 4.606
46 H HIS 6 H HIS 6 -6.538 3.071 -0.206
47 HA HIS 6 HA HIS 6 -8.115 0.914 0.528
48 HB2 HIS 6 2HB HIS 6 -9.068 1.091 -1.588
49 HB3 HIS 6 1HB HIS 6 -8.252 2.640 -1.489
50 HD1 HIS 6 1HD HIS 6 -7.106 3.144 -3.622
51 HD2 HIS 6 2HD HIS 6 -6.968 -0.934 -2.773
52 HE1 HIS 6 1HE HIS 6 -5.822 2.060 -5.515
53 H LEU 7 H LEU 7 -7.887 -1.289 0.455
54 HA LEU 7 HA LEU 7 -5.272 -2.287 -0.532
55 HB2 LEU 7 2HB LEU 7 -6.506 -4.417 0.760
56 HB3 LEU 7 1HB LEU 7 -5.278 -3.367 1.460
57 HG LEU 7 HG LEU 7 -7.211 -1.807 2.113
58 HD11 LEU 7 1HD1 LEU 7 -9.380 -2.468 1.833
59 HD12 LEU 7 2HD1 LEU 7 -9.003 -4.168 2.106
60 HD13 LEU 7 3HD1 LEU 7 -8.702 -3.441 0.528
61 HD21 LEU 7 3HD2 LEU 7 -7.895 -3.978 3.784
62 HD22 LEU 7 1HD2 LEU 7 -6.677 -2.740 4.095
63 HD23 LEU 7 2HD2 LEU 7 -6.218 -4.250 3.307
64 H GLY 8 H GLY 8 -5.168 -3.804 -2.129
65 HA2 GLY 8 2HA GLY 8 -6.128 -5.563 -3.518
66 HA3 GLY 8 1HA GLY 8 -7.732 -4.929 -3.151
67 H THR 9 H THR 9 -8.522 -4.369 -5.118
68 HA THR 9 HA THR 9 -6.756 -2.948 -7.014
69 HB THR 9 HB THR 9 -9.112 -3.129 -8.325
70 HG1 THR 9 1HG THR 9 -10.095 -5.056 -7.709
71 HG21 THR 9 3HG2 THR 9 -8.134 -4.905 -9.501
72 HG22 THR 9 1HG2 THR 9 -7.406 -5.592 -8.048
73 HG23 THR 9 2HG2 THR 9 -6.739 -4.121 -8.759
74 H LYS 10 H LYS 10 -10.169 -2.282 -7.042
75 HA LYS 10 HA LYS 10 -9.523 0.493 -6.154
76 HB2 LYS 10 2HB LYS 10 -11.070 1.346 -7.793
77 HB3 LYS 10 1HB LYS 10 -9.945 0.247 -8.593
78 HG2 LYS 10 2HG LYS 10 -12.304 -1.128 -7.537
79 HG3 LYS 10 1HG LYS 10 -12.710 0.100 -8.737
80 HD2 LYS 10 2HD LYS 10 -10.384 -1.375 -9.602
81 HD3 LYS 10 1HD LYS 10 -11.696 -2.494 -9.225
82 HE2 LYS 10 2HE LYS 10 -12.802 -0.251 -10.621
83 HE3 LYS 10 1HE LYS 10 -11.409 -0.839 -11.532
84 HZ1 LYS 10 3HZ LYS 10 -12.721 -2.452 -12.266
85 HZ2 LYS 10 1HZ LYS 10 -13.968 -2.029 -11.197
86 HZ3 LYS 10 2HZ LYS 10 -12.744 -3.092 -10.692
87 HA PRO 11 HA PRO 11 -13.651 -0.953 -4.255
88 HB2 PRO 11 2HB PRO 11 -12.980 -2.468 -2.043
89 HB3 PRO 11 1HB PRO 11 -13.558 -3.092 -3.592
90 HG2 PRO 11 2HG PRO 11 -10.790 -3.166 -2.499
91 HG3 PRO 11 1HG PRO 11 -11.535 -4.160 -3.747
92 HD2 PRO 11 2HD PRO 11 -9.746 -1.996 -4.193
93 HD3 PRO 11 1HD PRO 11 -10.702 -2.861 -5.412
94 HA PRO 12 HA PRO 12 -12.460 1.339 -0.273
95 HB2 PRO 12 2HB PRO 12 -9.849 1.174 0.580
96 HB3 PRO 12 1HB PRO 12 -11.151 0.108 1.118
97 HG2 PRO 12 2HG PRO 12 -8.956 -0.485 -0.834
98 HG3 PRO 12 1HG PRO 12 -9.841 -1.579 0.230
99 HD2 PRO 12 2HD PRO 12 -10.302 -1.283 -2.510
100 HD3 PRO 12 1HD PRO 12 -11.429 -1.993 -1.346
101 H THR 13 H THR 13 -10.241 3.115 0.304
102 HA THR 13 HA THR 13 -9.737 4.359 -2.366
103 HB THR 13 HB THR 13 -11.811 5.338 -1.474
104 HG1 THR 13 1HG THR 13 -10.163 7.455 -1.025
105 HG21 THR 13 3HG2 THR 13 -10.703 6.885 0.674
106 HG22 THR 13 1HG2 THR 13 -10.385 5.177 0.982
107 HG23 THR 13 2HG2 THR 13 -12.039 5.734 0.726
108 H THR 14 H THR 14 -8.598 6.698 -1.711
109 HA THR 14 HA THR 14 -5.994 5.925 -0.680
110 HB THR 14 HB THR 14 -5.447 8.351 -1.111
111 HG1 THR 14 1HG THR 14 -7.081 9.619 -1.340
112 HG21 THR 14 3HG2 THR 14 -5.998 8.089 -3.653
113 HG22 THR 14 1HG2 THR 14 -6.567 6.488 -3.176
114 HG23 THR 14 2HG2 THR 14 -4.889 6.952 -2.883
115 H GLU 15 H GLU 15 -4.883 7.620 0.808
116 HA GLU 15 HA GLU 15 -6.607 8.793 2.874
117 HB2 GLU 15 2HB GLU 15 -6.106 7.401 4.650
118 HB3 GLU 15 1HB GLU 15 -6.064 6.217 3.350
119 HG2 GLU 15 2HG GLU 15 -4.014 5.739 4.281
120 HG3 GLU 15 1HG GLU 15 -3.502 7.069 3.244
121 H THR 16 H THR 16 -4.985 9.730 4.684
122 HA THR 16 HA THR 16 -2.634 10.831 3.184
123 HB THR 16 HB THR 16 -3.742 12.249 5.567
124 HG1 THR 16 1HG THR 16 -5.620 12.270 4.613
125 HG21 THR 16 3HG2 THR 16 -2.318 13.801 4.806
126 HG22 THR 16 1HG2 THR 16 -3.201 13.879 3.282
127 HG23 THR 16 2HG2 THR 16 -1.876 12.731 3.476
128 H CYS 17 H CYS 17 -0.653 10.775 4.207
129 HA CYS 17 HA CYS 17 -0.530 9.750 6.998
130 HB2 CYS 17 2HB CYS 17 -0.125 8.158 4.758
131 HB3 CYS 17 1HB CYS 17 1.504 8.597 5.266
132 H GLN 18 H GLN 18 2.017 9.607 7.527
133 HA GLN 18 HA GLN 18 3.061 12.320 6.954
134 HB2 GLN 18 2HB GLN 18 2.963 11.526 9.303
135 HB3 GLN 18 1HB GLN 18 4.089 10.238 8.890
136 HG2 GLN 18 2HG GLN 18 5.243 12.238 9.854
137 HG3 GLN 18 1HG GLN 18 5.780 11.852 8.224
138 HE21 GLN 18 1HE2 GLN 18 4.840 13.180 6.421
139 HE22 GLN 18 2HE2 GLN 18 4.278 14.751 6.739
140 H GLU 19 H GLU 19 4.025 8.923 6.742
141 HA GLU 19 HA GLU 19 6.682 9.452 5.802
142 HB2 GLU 19 2HB GLU 19 5.500 7.016 4.658
143 HB3 GLU 19 1HB GLU 19 6.935 7.191 5.654
144 HG2 GLU 19 2HG GLU 19 5.140 7.680 7.556
145 HG3 GLU 19 1HG GLU 19 4.100 6.735 6.488
146 H ASP 20 H ASP 20 7.342 10.191 3.879
147 HA ASP 20 HA ASP 20 5.454 10.907 1.838
148 HB2 ASP 20 2HB ASP 20 7.880 10.828 0.499
149 HB3 ASP 20 1HB ASP 20 7.193 12.237 1.296
150 H SER 21 H SER 21 6.921 7.986 2.656
151 HA SER 21 HA SER 21 6.912 6.899 -0.043
152 HB2 SER 21 2HB SER 21 6.994 4.867 1.989
153 HB3 SER 21 1HB SER 21 8.263 5.352 0.870
154 HG SER 21 HG SER 21 8.700 5.647 3.181
155 H CYS 22 H CYS 22 5.539 4.977 -0.583
156 HA CYS 22 HA CYS 22 3.048 4.738 1.026
157 HB2 CYS 22 2HB CYS 22 2.925 4.832 -1.988
158 HB3 CYS 22 1HB CYS 22 1.610 5.003 -0.836
159 H TYR 23 H TYR 23 2.875 2.527 1.434
160 HA TYR 23 HA TYR 23 4.324 0.794 -0.494
161 HB2 TYR 23 2HB TYR 23 4.735 -0.788 1.162
162 HB3 TYR 23 1HB TYR 23 4.962 0.736 1.979
163 HD1 TYR 23 1HD TYR 23 1.805 1.268 2.139
164 HD2 TYR 23 2HD TYR 23 4.365 -2.009 3.210
165 HE1 TYR 23 1HE TYR 23 0.174 0.529 3.858
166 HE2 TYR 23 2HE TYR 23 2.716 -2.726 4.925
167 HH TYR 23 HH TYR 23 -0.450 -1.408 5.087
168 H LYS 24 H LYS 24 3.466 -0.821 -1.506
169 HA LYS 24 HA LYS 24 0.663 -1.589 -0.920
170 HB2 LYS 24 2HB LYS 24 0.349 -0.021 -2.665
171 HB3 LYS 24 1HB LYS 24 1.718 -0.644 -3.578
172 HG2 LYS 24 2HG LYS 24 0.518 -2.807 -3.839
173 HG3 LYS 24 1HG LYS 24 -0.867 -2.102 -3.000
174 HD2 LYS 24 2HD LYS 24 -1.108 -1.981 -5.468
175 HD3 LYS 24 1HD LYS 24 -1.080 -0.387 -4.716
176 HE2 LYS 24 2HE LYS 24 0.944 0.161 -5.626
177 HE3 LYS 24 1HE LYS 24 1.556 -1.489 -5.511
178 HZ1 LYS 24 3HZ LYS 24 0.567 -0.220 -7.758
179 HZ2 LYS 24 1HZ LYS 24 -0.609 -1.366 -7.327
180 HZ3 LYS 24 2HZ LYS 24 0.995 -1.857 -7.605
181 H ASN 25 H ASN 25 0.878 -3.641 -0.425
182 HA ASN 25 HA ASN 25 2.659 -5.359 -2.090
183 HB2 ASN 25 2HB ASN 25 1.950 -6.039 0.749
184 HB3 ASN 25 1HB ASN 25 3.390 -6.473 -0.167
185 HD21 ASN 25 1HD2 ASN 25 1.808 -3.360 0.922
186 HD22 ASN 25 2HD2 ASN 25 3.260 -2.648 1.380
187 H ILE 26 H ILE 26 1.966 -7.744 -1.875
188 HA ILE 26 HA ILE 26 -0.977 -7.857 -2.266
189 HB ILE 26 HB ILE 26 -0.586 -9.918 -3.452
190 HG12 ILE 26 2HG1 ILE 26 2.046 -10.498 -3.578
191 HG13 ILE 26 1HG1 ILE 26 1.984 -9.818 -1.952
192 HG21 ILE 26 1HG2 ILE 26 0.366 -8.956 -5.281
193 HG22 ILE 26 2HG2 ILE 26 1.834 -8.518 -4.406
194 HG23 ILE 26 3HG2 ILE 26 0.395 -7.506 -4.277
195 HD11 ILE 26 3HD1 ILE 26 0.465 -11.447 -1.193
196 HD12 ILE 26 1HD1 ILE 26 1.547 -12.370 -2.236
197 HD13 ILE 26 2HD1 ILE 26 -0.037 -11.872 -2.831
198 H TRP 27 H TRP 27 1.386 -8.545 0.065
199 HA TRP 27 HA TRP 27 0.084 -10.873 1.256
200 HB2 TRP 27 2HB TRP 27 1.980 -9.036 2.706
201 HB3 TRP 27 1HB TRP 27 1.774 -10.777 2.892
202 HD1 TRP 27 HD TRP 27 3.676 -8.193 0.949
203 HE1 TRP 27 1HE TRP 27 5.284 -9.355 -0.700
204 HE3 TRP 27 3HE TRP 27 1.996 -13.002 1.321
205 HZ2 TRP 27 2HZ TRP 27 5.784 -11.979 -1.729
206 HZ3 TRP 27 3HZ TRP 27 3.053 -14.810 -0.002
207 HH2 TRP 27 HH TRP 27 4.943 -14.305 -1.526
208 H THR 28 H THR 28 -1.900 -10.599 2.191
209 HA THR 28 HA THR 28 -2.191 -8.587 4.296
210 HB THR 28 HB THR 28 -2.755 -7.484 2.014
211 HG1 THR 28 1HG THR 28 -4.121 -6.221 3.091
212 HG21 THR 28 3HG2 THR 28 -4.957 -7.920 1.137
213 HG22 THR 28 1HG2 THR 28 -5.314 -9.041 2.449
214 HG23 THR 28 2HG2 THR 28 -4.106 -9.461 1.234
215 H PHE 29 H PHE 29 -3.555 -9.372 5.860
216 HA PHE 29 HA PHE 29 -4.869 -11.963 5.323
217 HB2 PHE 29 2HB PHE 29 -3.559 -11.691 7.399
218 HB3 PHE 29 1HB PHE 29 -4.610 -10.363 7.891
219 HD1 PHE 29 1HD PHE 29 -4.676 -13.981 6.928
220 HD2 PHE 29 2HD PHE 29 -6.597 -10.792 9.072
221 HE1 PHE 29 1HE PHE 29 -6.277 -15.603 7.909
222 HE2 PHE 29 2HE PHE 29 -8.198 -12.414 10.051
223 HZ PHE 29 HZ PHE 29 -8.037 -14.819 9.470
224 H ASP 30 H ASP 30 -5.794 -9.086 4.479
225 HA ASP 30 HA ASP 30 -8.536 -9.259 5.648
226 HB2 ASP 30 2HB ASP 30 -7.070 -7.093 5.750
227 HB3 ASP 30 1HB ASP 30 -7.531 -6.912 4.057
228 H ASN 31 H ASN 31 -7.110 -8.162 2.543
229 HA ASN 31 HA ASN 31 -9.189 -9.813 1.172
230 HB2 ASN 31 2HB ASN 31 -9.365 -7.122 1.273
231 HB3 ASN 31 1HB ASN 31 -8.322 -7.287 -0.139
232 HD21 ASN 31 1HD2 ASN 31 -11.571 -7.306 0.843
233 HD22 ASN 31 2HD2 ASN 31 -12.237 -8.064 -0.521
234 H ILE 32 H ILE 32 -6.539 -7.729 -0.029
235 HA ILE 32 HA ILE 32 -4.943 -10.065 -0.782
236 HB ILE 32 HB ILE 32 -5.214 -8.626 -3.233
237 HG12 ILE 32 2HG1 ILE 32 -7.608 -9.170 -3.738
238 HG13 ILE 32 1HG1 ILE 32 -7.853 -9.533 -2.034
239 HG21 ILE 32 1HG2 ILE 32 -4.501 -10.903 -3.148
240 HG22 ILE 32 2HG2 ILE 32 -6.055 -10.894 -3.984
241 HG23 ILE 32 3HG2 ILE 32 -5.964 -11.397 -2.296
242 HD11 ILE 32 3HD1 ILE 32 -8.487 -7.313 -2.027
243 HD12 ILE 32 1HD1 ILE 32 -7.424 -6.900 -3.372
244 HD13 ILE 32 2HD1 ILE 32 -6.757 -7.106 -1.753
245 H ILE 33 H ILE 33 -5.075 -6.964 -2.479
246 HA ILE 33 HA ILE 33 -2.284 -6.466 -1.679
247 HB ILE 33 HB ILE 33 -3.859 -4.549 -3.349
248 HG12 ILE 33 2HG1 ILE 33 -4.557 -6.696 -4.227
249 HG13 ILE 33 1HG1 ILE 33 -3.387 -5.994 -5.341
250 HG21 ILE 33 1HG2 ILE 33 -1.777 -4.112 -4.346
251 HG22 ILE 33 2HG2 ILE 33 -1.114 -5.673 -3.863
252 HG23 ILE 33 3HG2 ILE 33 -1.357 -4.408 -2.658
253 HD11 ILE 33 3HD1 ILE 33 -1.615 -7.389 -4.456
254 HD12 ILE 33 1HD1 ILE 33 -2.983 -8.430 -4.848
255 HD13 ILE 33 2HD1 ILE 33 -2.668 -7.984 -3.171
256 H ARG 34 H ARG 34 -1.640 -4.337 -0.779
257 HA ARG 34 HA ARG 34 -3.860 -2.774 0.374
258 HB2 ARG 34 2HB ARG 34 -3.167 -4.555 2.050
259 HB3 ARG 34 1HB ARG 34 -1.648 -3.661 2.195
260 HG2 ARG 34 2HG ARG 34 -2.666 -1.805 3.122
261 HG3 ARG 34 1HG ARG 34 -4.205 -2.127 2.347
262 HD2 ARG 34 2HD ARG 34 -4.699 -2.712 4.546
263 HD3 ARG 34 1HD ARG 34 -4.201 -4.271 3.887
264 HE ARG 34 HE ARG 34 -1.844 -3.185 4.856
265 HH11 ARG 34 1HH1 ARG 34 -3.420 -5.548 6.040
266 HH12 ARG 34 2HH1 ARG 34 -3.578 -5.035 7.687
267 HH21 ARG 34 1HH2 ARG 34 -2.724 -1.740 7.019
268 HH22 ARG 34 2HH2 ARG 34 -3.182 -2.880 8.241
269 H ARG 35 H ARG 35 -3.429 -0.810 -0.312
270 HA ARG 35 HA ARG 35 -0.648 0.138 -0.606
271 HB2 ARG 35 2HB ARG 35 -3.299 1.450 -1.287
272 HB3 ARG 35 1HB ARG 35 -1.726 2.156 -1.607
273 HG2 ARG 35 2HG ARG 35 -1.504 0.943 -3.484
274 HG3 ARG 35 1HG ARG 35 -1.798 -0.551 -2.595
275 HD2 ARG 35 2HD ARG 35 -3.893 -0.698 -3.402
276 HD3 ARG 35 1HD ARG 35 -4.256 0.951 -2.893
277 HE ARG 35 HE ARG 35 -3.467 1.736 -5.066
278 HH11 ARG 35 1HH1 ARG 35 -5.303 -0.821 -5.401
279 HH12 ARG 35 2HH1 ARG 35 -4.494 -1.565 -6.740
280 HH21 ARG 35 1HH2 ARG 35 -1.656 0.411 -6.464
281 HH22 ARG 35 2HH2 ARG 35 -2.429 -0.867 -7.342
282 H GLY 36 H GLY 36 0.223 1.742 0.722
283 HA2 GLY 36 2HA GLY 36 -1.495 3.144 2.641
284 HA3 GLY 36 1HA GLY 36 -0.381 2.006 3.365
285 H CYS 37 H CYS 37 0.772 3.641 4.408
286 HA CYS 37 HA CYS 37 2.384 5.404 2.613
287 HB2 CYS 37 2HB CYS 37 2.439 6.995 4.511
288 HB3 CYS 37 1HB CYS 37 0.792 6.686 3.959
289 H GLY 38 H GLY 38 4.480 4.729 2.622
290 HA2 GLY 38 2HA GLY 38 6.575 4.438 3.766
291 HA3 GLY 38 1HA GLY 38 5.683 4.041 5.238
292 H CYS 39 H CYS 39 7.773 2.568 3.666
293 HA CYS 39 HA CYS 39 6.579 0.290 2.399
294 HB2 CYS 39 2HB CYS 39 9.179 0.234 3.909
295 HB3 CYS 39 1HB CYS 39 8.717 -0.756 2.536
296 H PHE 40 H PHE 40 6.237 -1.848 3.283
297 HA PHE 40 HA PHE 40 4.994 -1.810 5.869
298 HB2 PHE 40 2HB PHE 40 5.019 -4.344 5.622
299 HB3 PHE 40 1HB PHE 40 4.224 -3.462 4.334
300 HD1 PHE 40 1HD PHE 40 7.736 -2.967 4.133
301 HD2 PHE 40 2HD PHE 40 4.631 -5.780 3.208
302 HE1 PHE 40 1HE PHE 40 9.214 -4.024 2.479
303 HE2 PHE 40 2HE PHE 40 6.120 -6.854 1.551
304 HZ PHE 40 HZ PHE 40 8.417 -5.988 1.187
305 H THR 41 H THR 41 5.696 -3.446 7.650
306 HA THR 41 HA THR 41 8.373 -2.655 8.451
307 HB THR 41 HB THR 41 6.307 -4.385 9.811
308 HG1 THR 41 1HG THR 41 5.963 -2.562 10.987
309 HG21 THR 41 3HG2 THR 41 7.919 -5.064 11.219
310 HG22 THR 41 1HG2 THR 41 8.226 -3.378 11.636
311 HG23 THR 41 2HG2 THR 41 9.123 -4.139 10.321
312 HA PRO 42 HA PRO 42 9.329 -7.291 8.094
313 HB2 PRO 42 2HB PRO 42 7.508 -8.894 6.801
314 HB3 PRO 42 1HB PRO 42 7.474 -8.576 8.543
315 HG2 PRO 42 2HG PRO 42 5.656 -7.564 6.434
316 HG3 PRO 42 1HG PRO 42 5.392 -7.667 8.182
317 HD2 PRO 42 2HD PRO 42 6.109 -5.344 6.656
318 HD3 PRO 42 1HD PRO 42 5.919 -5.446 8.416
319 H ARG 43 H ARG 43 9.908 -5.306 6.190
320 HA ARG 43 HA ARG 43 9.506 -6.150 3.477
321 HB2 ARG 43 2HB ARG 43 11.139 -4.492 2.893
322 HB3 ARG 43 1HB ARG 43 10.243 -3.846 4.265
323 HG2 ARG 43 2HG ARG 43 12.379 -5.400 5.318
324 HG3 ARG 43 1HG ARG 43 13.055 -4.355 4.068
325 HD2 ARG 43 2HD ARG 43 11.167 -2.835 5.596
326 HD3 ARG 43 1HD ARG 43 12.276 -3.635 6.711
327 HE ARG 43 HE ARG 43 13.141 -1.805 4.512
328 HH11 ARG 43 1HH2 ARG 43 13.045 -1.641 7.723
329 HH12 ARG 43 2HH2 ARG 43 14.752 -1.622 8.019
330 HH21 ARG 43 1HH1 ARG 43 15.592 -2.561 4.789
331 HH22 ARG 43 2HH1 ARG 43 16.193 -2.142 6.358
332 H GLY 44 H GLY 44 12.068 -6.162 2.382
333 HA2 GLY 44 2HA GLY 44 14.180 -7.530 3.101
334 HA3 GLY 44 1HA GLY 44 12.997 -8.824 3.249
335 H ASP 45 H ASP 45 14.618 -9.681 1.506
336 HA ASP 45 HA ASP 45 14.079 -8.567 -1.182
337 HB2 ASP 45 2HB ASP 45 15.694 -10.420 -1.878
338 HB3 ASP 45 1HB ASP 45 16.367 -9.164 -0.839
339 H MET 46 H MET 46 12.487 -10.607 0.841
340 HA MET 46 HA MET 46 11.829 -12.724 -1.059
341 HB2 MET 46 2HB MET 46 11.381 -12.189 1.750
342 HB3 MET 46 1HB MET 46 9.885 -12.695 0.963
343 HG2 MET 46 2HG MET 46 10.977 -14.687 0.075
344 HG3 MET 46 1HG MET 46 12.527 -14.166 0.735
345 HE1 MET 46 3HE MET 46 11.844 -17.181 2.116
346 HE2 MET 46 1HE MET 46 12.787 -16.336 3.350
347 HE3 MET 46 2HE MET 46 13.051 -15.989 1.643
348 HA PRO 47 HA PRO 47 7.751 -10.265 -1.289
349 HB2 PRO 47 2HB PRO 47 7.648 -7.855 0.033
350 HB3 PRO 47 1HB PRO 47 7.190 -9.400 0.764
351 HG2 PRO 47 2HG PRO 47 9.611 -7.748 1.243
352 HG3 PRO 47 1HG PRO 47 8.863 -8.967 2.289
353 HD2 PRO 47 2HD PRO 47 11.177 -9.307 0.652
354 HD3 PRO 47 1HD PRO 47 10.324 -10.574 1.553
355 H GLY 48 H GLY 48 7.090 -8.671 -2.820
356 HA2 GLY 48 2HA GLY 48 9.134 -6.745 -3.738
357 HA3 GLY 48 1HA GLY 48 8.445 -7.862 -4.912
358 HA PRO 49 HA PRO 49 4.738 -5.192 -3.500
359 HB2 PRO 49 2HB PRO 49 5.164 -3.396 -1.462
360 HB3 PRO 49 1HB PRO 49 4.667 -5.077 -1.211
361 HG2 PRO 49 2HG PRO 49 7.333 -3.833 -0.776
362 HG3 PRO 49 1HG PRO 49 6.589 -5.228 0.005
363 HD2 PRO 49 2HD PRO 49 8.543 -5.350 -2.019
364 HD3 PRO 49 1HD PRO 49 7.537 -6.699 -1.456
365 H TYR 50 H TYR 50 4.504 -2.448 -2.933
366 HA TYR 50 HA TYR 50 6.420 -1.225 -4.860
367 HB2 TYR 50 2HB TYR 50 3.681 -1.693 -5.312
368 HB3 TYR 50 1HB TYR 50 3.825 0.036 -4.992
369 HD1 TYR 50 2HD TYR 50 4.966 -2.742 -7.160
370 HD2 TYR 50 1HD TYR 50 5.026 1.501 -6.489
371 HE1 TYR 50 2HE TYR 50 5.915 -2.397 -9.424
372 HE2 TYR 50 1HE TYR 50 5.979 1.845 -8.754
373 HH TYR 50 HH TYR 50 6.248 0.795 -10.812
374 H CYS 51 H CYS 51 7.527 -0.358 -2.957
375 HA CYS 51 HA CYS 51 6.067 1.615 -1.275
376 HB2 CYS 51 2HB CYS 51 8.296 0.109 -0.769
377 HB3 CYS 51 1HB CYS 51 9.007 1.634 -1.308
378 H CYS 52 H CYS 52 5.845 3.663 -2.051
379 HA CYS 52 HA CYS 52 7.898 4.662 -3.975
380 HB2 CYS 52 2HB CYS 52 5.922 4.065 -5.266
381 HB3 CYS 52 1HB CYS 52 4.908 5.038 -4.211
382 H GLU 53 H GLU 53 8.059 6.972 -4.007
383 HA GLU 53 HA GLU 53 7.253 8.139 -1.379
384 HB2 GLU 53 2HB GLU 53 9.399 9.340 -3.095
385 HB3 GLU 53 1HB GLU 53 9.236 9.351 -1.339
386 HG2 GLU 53 2HG GLU 53 9.760 6.953 -1.256
387 HG3 GLU 53 1HG GLU 53 9.883 6.908 -3.015
388 H SER 54 H SER 54 5.344 8.202 -3.414
389 HA SER 54 HA SER 54 5.241 11.136 -3.932
390 HB2 SER 54 2HB SER 54 3.948 9.488 -5.997
391 HB3 SER 54 1HB SER 54 4.978 10.906 -6.176
392 HG SER 54 HG SER 54 6.657 9.647 -6.393
393 H ASP 55 H ASP 55 2.999 11.938 -4.029
394 HA ASP 55 HA ASP 55 1.285 10.492 -2.209
395 HB2 ASP 55 2HB ASP 55 0.114 12.591 -3.973
396 HB3 ASP 55 1HB ASP 55 -0.096 12.320 -2.247
397 H LYS 56 H LYS 56 -0.523 9.267 -2.654
398 HA LYS 56 HA LYS 56 -1.723 7.679 -3.936
399 HB2 LYS 56 2HB LYS 56 -1.666 9.903 -6.004
400 HB3 LYS 56 1HB LYS 56 -2.863 8.614 -5.868
401 HG2 LYS 56 2HG LYS 56 -3.184 9.580 -3.433
402 HG3 LYS 56 1HG LYS 56 -2.488 11.038 -4.142
403 HD2 LYS 56 2HD LYS 56 -4.237 11.248 -5.720
404 HD3 LYS 56 1HD LYS 56 -4.767 9.582 -5.480
405 HE2 LYS 56 2HE LYS 56 -5.052 10.512 -2.958
406 HE3 LYS 56 1HE LYS 56 -5.338 12.002 -3.857
407 HZ1 LYS 56 3HZ LYS 56 -6.666 9.529 -4.718
408 HZ2 LYS 56 1HZ LYS 56 -7.173 11.139 -4.889
409 HZ3 LYS 56 2HZ LYS 56 -7.283 10.371 -3.378
410 H CYS 57 H CYS 57 1.112 7.457 -4.052
411 HA CYS 57 HA CYS 57 1.816 7.063 -6.885
412 HB2 CYS 57 2HB CYS 57 3.348 7.992 -5.021
413 HB3 CYS 57 1HB CYS 57 3.530 6.311 -4.524
414 H ASN 58 H ASN 58 0.701 5.075 -4.208
415 HA ASN 58 HA ASN 58 1.644 2.647 -5.555
416 HB2 ASN 58 2HB ASN 58 0.245 1.592 -3.579
417 HB3 ASN 58 1HB ASN 58 1.834 2.286 -3.274
418 HD21 ASN 58 1HD2 ASN 58 0.544 2.331 -1.004
419 HD22 ASN 58 2HD2 ASN 58 -0.236 3.803 -0.668
420 H LEU 59 H LEU 59 0.124 3.698 -7.366
421 HA LEU 59 HA LEU 59 -2.538 2.366 -7.085
422 HB2 LEU 59 2HB LEU 59 -2.254 5.029 -7.325
423 HB3 LEU 59 1HB LEU 59 -2.193 4.597 -9.033
424 HG LEU 59 HG LEU 59 -4.514 5.075 -8.233
425 HD11 LEU 59 1HD1 LEU 59 -4.790 2.229 -8.777
426 HD12 LEU 59 2HD1 LEU 59 -3.583 2.971 -9.826
427 HD13 LEU 59 3HD1 LEU 59 -5.228 3.605 -9.788
428 HD21 LEU 59 3HD2 LEU 59 -4.378 2.466 -6.738
429 HD22 LEU 59 1HD2 LEU 59 -5.553 3.772 -6.579
430 HD23 LEU 59 2HD2 LEU 59 -3.923 3.969 -5.934
Start of MODEL 8
1 H1 ARG 1 1HT ARG 1 4.173 11.954 3.439
2 H2 ARG 1 2HT ARG 1 3.114 10.686 3.039
3 H3 ARG 1 3HT ARG 1 2.761 11.713 4.346
4 HA ARG 1 HA ARG 1 2.217 13.496 3.000
5 HB2 ARG 1 2HB ARG 1 2.976 13.796 0.798
6 HB3 ARG 1 1HB ARG 1 4.332 12.963 1.555
7 HG2 ARG 1 2HG ARG 1 2.621 10.916 0.641
8 HG3 ARG 1 1HG ARG 1 2.665 12.100 -0.657
9 HD2 ARG 1 2HD ARG 1 5.105 10.947 0.681
10 HD3 ARG 1 1HD ARG 1 4.454 10.367 -0.834
11 HE ARG 1 HE ARG 1 5.703 12.087 -1.795
12 HH11 ARG 1 1HH2 ARG 1 3.779 14.214 -1.043
13 HH12 ARG 1 2HH2 ARG 1 4.759 15.295 -0.110
14 HH21 ARG 1 1HH1 ARG 1 7.297 12.989 0.395
15 HH22 ARG 1 2HH1 ARG 1 6.749 14.603 0.703
16 H ILE 2 H ILE 2 1.122 12.789 0.270
17 HA ILE 2 HA ILE 2 -1.266 11.352 1.258
18 HB ILE 2 HB ILE 2 -0.621 12.845 -1.287
19 HG12 ILE 2 2HG1 ILE 2 -2.813 13.982 -0.447
20 HG13 ILE 2 1HG1 ILE 2 -2.461 13.146 1.067
21 HG21 ILE 2 1HG2 ILE 2 -3.133 12.305 -1.776
22 HG22 ILE 2 2HG2 ILE 2 -2.874 10.932 -0.700
23 HG23 ILE 2 3HG2 ILE 2 -1.917 11.091 -2.172
24 HD11 ILE 2 3HD1 ILE 2 -1.524 15.583 0.652
25 HD12 ILE 2 1HD1 ILE 2 -0.280 14.721 -0.254
26 HD13 ILE 2 2HD1 ILE 2 -0.526 14.373 1.458
27 H CYS 3 H CYS 3 -1.520 9.184 0.928
28 HA CYS 3 HA CYS 3 -0.018 8.030 -1.362
29 HB2 CYS 3 2HB CYS 3 -0.375 6.826 1.392
30 HB3 CYS 3 1HB CYS 3 0.256 5.940 0.010
31 H TYR 4 H TYR 4 -0.960 5.750 -1.894
32 HA TYR 4 HA TYR 4 -3.847 6.135 -2.282
33 HB2 TYR 4 2HB TYR 4 -1.744 4.759 -3.674
34 HB3 TYR 4 1HB TYR 4 -3.030 3.612 -3.296
35 HD1 TYR 4 2HD TYR 4 -5.453 4.303 -3.855
36 HD2 TYR 4 1HD TYR 4 -1.994 6.309 -5.421
37 HE1 TYR 4 2HE TYR 4 -6.835 5.271 -5.671
38 HE2 TYR 4 1HE TYR 4 -3.374 7.278 -7.236
39 HH TYR 4 HH TYR 4 -5.827 7.828 -7.585
40 H ASN 5 H ASN 5 -5.423 4.940 -1.326
41 HA ASN 5 HA ASN 5 -4.563 2.975 0.749
42 HB2 ASN 5 2HB ASN 5 -5.607 4.871 1.791
43 HB3 ASN 5 1HB ASN 5 -6.928 4.860 0.624
44 HD21 ASN 5 1HD2 ASN 5 -5.583 1.939 2.169
45 HD22 ASN 5 2HD2 ASN 5 -6.996 1.548 3.021
46 H HIS 6 H HIS 6 -5.508 2.758 -2.290
47 HA HIS 6 HA HIS 6 -7.974 1.292 -2.167
48 HB2 HIS 6 2HB HIS 6 -7.411 2.048 -4.293
49 HB3 HIS 6 1HB HIS 6 -5.782 1.436 -4.213
50 HD1 HIS 6 1HD HIS 6 -9.159 -0.260 -3.669
51 HD2 HIS 6 2HD HIS 6 -5.726 -0.713 -5.982
52 HE1 HIS 6 1HE HIS 6 -9.474 -2.381 -5.016
53 H LEU 7 H LEU 7 -8.385 -0.760 -1.725
54 HA LEU 7 HA LEU 7 -6.096 -2.493 -0.884
55 HB2 LEU 7 2HB LEU 7 -8.956 -3.045 -0.153
56 HB3 LEU 7 1HB LEU 7 -7.483 -3.469 0.719
57 HG LEU 7 HG LEU 7 -8.628 -0.681 0.390
58 HD11 LEU 7 1HD1 LEU 7 -8.741 -0.867 2.919
59 HD12 LEU 7 2HD1 LEU 7 -8.386 -2.584 2.734
60 HD13 LEU 7 3HD1 LEU 7 -9.864 -1.912 2.048
61 HD21 LEU 7 3HD2 LEU 7 -6.724 -0.267 2.147
62 HD22 LEU 7 1HD2 LEU 7 -6.310 -0.330 0.433
63 HD23 LEU 7 2HD2 LEU 7 -6.020 -1.733 1.462
64 H GLY 8 H GLY 8 -5.793 -4.496 -1.790
65 HA2 GLY 8 2HA GLY 8 -5.900 -5.875 -3.783
66 HA3 GLY 8 1HA GLY 8 -7.237 -6.448 -2.797
67 H THR 9 H THR 9 -9.144 -6.548 -3.818
68 HA THR 9 HA THR 9 -9.549 -4.870 -6.257
69 HB THR 9 HB THR 9 -11.582 -6.674 -6.324
70 HG1 THR 9 1HG THR 9 -9.372 -7.965 -5.102
71 HG21 THR 9 3HG2 THR 9 -10.470 -6.896 -8.270
72 HG22 THR 9 1HG2 THR 9 -9.434 -8.067 -7.454
73 HG23 THR 9 2HG2 THR 9 -8.957 -6.370 -7.533
74 H LYS 10 H LYS 10 -9.876 -3.673 -3.739
75 HA LYS 10 HA LYS 10 -12.822 -3.582 -3.288
76 HB2 LYS 10 2HB LYS 10 -10.499 -3.412 -1.626
77 HB3 LYS 10 1HB LYS 10 -11.341 -1.867 -1.527
78 HG2 LYS 10 2HG LYS 10 -13.472 -3.145 -1.097
79 HG3 LYS 10 1HG LYS 10 -12.506 -4.618 -1.008
80 HD2 LYS 10 2HD LYS 10 -11.430 -2.451 0.644
81 HD3 LYS 10 1HD LYS 10 -13.058 -2.932 1.119
82 HE2 LYS 10 2HE LYS 10 -12.360 -5.263 1.301
83 HE3 LYS 10 1HE LYS 10 -10.749 -4.856 0.713
84 HZ1 LYS 10 3HZ LYS 10 -10.206 -4.511 2.822
85 HZ2 LYS 10 1HZ LYS 10 -11.817 -4.633 3.341
86 HZ3 LYS 10 2HZ LYS 10 -11.210 -3.140 2.803
87 HA PRO 11 HA PRO 11 -13.155 0.490 -4.964
88 HB2 PRO 11 2HB PRO 11 -14.012 2.152 -2.933
89 HB3 PRO 11 1HB PRO 11 -15.066 1.004 -3.776
90 HG2 PRO 11 2HG PRO 11 -13.854 0.797 -1.053
91 HG3 PRO 11 1HG PRO 11 -15.373 0.117 -1.659
92 HD2 PRO 11 2HD PRO 11 -13.015 -1.323 -1.297
93 HD3 PRO 11 1HD PRO 11 -14.358 -1.839 -2.334
94 HA PRO 12 HA PRO 12 -9.059 1.787 -3.841
95 HB2 PRO 12 2HB PRO 12 -8.572 3.197 -6.157
96 HB3 PRO 12 1HB PRO 12 -8.404 1.441 -6.006
97 HG2 PRO 12 2HG PRO 12 -10.581 3.015 -7.309
98 HG3 PRO 12 1HG PRO 12 -9.999 1.383 -7.680
99 HD2 PRO 12 2HD PRO 12 -12.340 1.978 -6.241
100 HD3 PRO 12 1HD PRO 12 -11.514 0.404 -6.255
101 H THR 13 H THR 13 -8.534 3.442 -2.553
102 HA THR 13 HA THR 13 -9.480 6.175 -3.244
103 HB THR 13 HB THR 13 -11.142 5.931 -1.688
104 HG1 THR 13 1HG THR 13 -9.681 7.365 -0.722
105 HG21 THR 13 3HG2 THR 13 -9.495 3.610 -0.832
106 HG22 THR 13 1HG2 THR 13 -11.231 3.710 -1.124
107 HG23 THR 13 2HG2 THR 13 -10.555 4.313 0.388
108 H THR 14 H THR 14 -8.102 7.819 -2.372
109 HA THR 14 HA THR 14 -5.441 6.791 -1.613
110 HB THR 14 HB THR 14 -4.898 9.334 -1.694
111 HG1 THR 14 1HG THR 14 -6.588 10.512 -2.026
112 HG21 THR 14 3HG2 THR 14 -5.805 8.420 -4.372
113 HG22 THR 14 1HG2 THR 14 -4.696 7.357 -3.506
114 HG23 THR 14 2HG2 THR 14 -4.227 9.020 -3.858
115 H GLU 15 H GLU 15 -4.309 8.096 0.195
116 HA GLU 15 HA GLU 15 -6.132 9.070 2.298
117 HB2 GLU 15 2HB GLU 15 -5.409 7.444 3.967
118 HB3 GLU 15 1HB GLU 15 -6.107 6.586 2.592
119 HG2 GLU 15 2HG GLU 15 -4.153 5.377 2.850
120 HG3 GLU 15 1HG GLU 15 -3.582 6.628 1.744
121 H THR 16 H THR 16 -5.116 10.685 3.392
122 HA THR 16 HA THR 16 -2.317 11.249 2.768
123 HB THR 16 HB THR 16 -3.604 12.780 4.944
124 HG1 THR 16 1HG THR 16 -5.446 12.590 3.845
125 HG21 THR 16 3HG2 THR 16 -2.053 14.210 4.180
126 HG22 THR 16 1HG2 THR 16 -2.941 14.335 2.662
127 HG23 THR 16 2HG2 THR 16 -1.677 13.119 2.847
128 H CYS 17 H CYS 17 -0.580 10.978 4.130
129 HA CYS 17 HA CYS 17 -1.084 9.985 6.893
130 HB2 CYS 17 2HB CYS 17 -0.405 8.312 4.773
131 HB3 CYS 17 1HB CYS 17 1.134 8.625 5.572
132 H GLN 18 H GLN 18 1.425 9.589 7.778
133 HA GLN 18 HA GLN 18 2.640 12.269 7.455
134 HB2 GLN 18 2HB GLN 18 2.386 11.607 9.747
135 HB3 GLN 18 1HB GLN 18 3.110 10.040 9.442
136 HG2 GLN 18 2HG GLN 18 4.554 12.008 10.501
137 HG3 GLN 18 1HG GLN 18 5.264 10.880 9.358
138 HE21 GLN 18 1HE2 GLN 18 3.060 13.647 8.657
139 HE22 GLN 18 2HE2 GLN 18 4.151 14.446 7.630
140 H GLU 19 H GLU 19 3.594 8.851 7.401
141 HA GLU 19 HA GLU 19 6.259 9.383 6.476
142 HB2 GLU 19 2HB GLU 19 4.974 6.865 5.570
143 HB3 GLU 19 1HB GLU 19 6.539 7.099 6.330
144 HG2 GLU 19 2HG GLU 19 5.520 6.210 8.164
145 HG3 GLU 19 1HG GLU 19 4.894 7.845 8.369
146 H ASP 20 H ASP 20 6.901 9.994 4.501
147 HA ASP 20 HA ASP 20 4.915 10.542 2.466
148 HB2 ASP 20 2HB ASP 20 7.399 10.665 1.164
149 HB3 ASP 20 1HB ASP 20 6.490 12.017 1.824
150 H SER 21 H SER 21 6.358 7.712 3.379
151 HA SER 21 HA SER 21 6.744 6.610 0.712
152 HB2 SER 21 2HB SER 21 6.449 4.571 2.697
153 HB3 SER 21 1HB SER 21 7.915 5.083 1.867
154 HG SER 21 HG SER 21 8.137 5.404 4.087
155 H CYS 22 H CYS 22 5.332 5.004 -0.237
156 HA CYS 22 HA CYS 22 2.650 4.739 1.042
157 HB2 CYS 22 2HB CYS 22 3.033 4.972 -1.949
158 HB3 CYS 22 1HB CYS 22 1.540 5.101 -1.030
159 H TYR 23 H TYR 23 2.420 2.540 1.391
160 HA TYR 23 HA TYR 23 4.066 0.811 -0.384
161 HB2 TYR 23 2HB TYR 23 4.170 -0.815 1.354
162 HB3 TYR 23 1HB TYR 23 4.514 0.728 2.102
163 HD1 TYR 23 1HD TYR 23 1.765 -1.714 1.466
164 HD2 TYR 23 2HD TYR 23 3.174 1.542 3.890
165 HE1 TYR 23 1HE TYR 23 -0.120 -2.067 3.026
166 HE2 TYR 23 2HE TYR 23 1.280 1.189 5.450
167 HH TYR 23 HH TYR 23 -1.322 -0.095 4.931
168 H LYS 24 H LYS 24 3.242 -0.779 -1.460
169 HA LYS 24 HA LYS 24 0.419 -1.583 -1.025
170 HB2 LYS 24 2HB LYS 24 0.201 -0.053 -2.809
171 HB3 LYS 24 1HB LYS 24 1.624 -0.674 -3.620
172 HG2 LYS 24 2HG LYS 24 0.490 -2.836 -3.952
173 HG3 LYS 24 1HG LYS 24 -0.947 -2.189 -3.151
174 HD2 LYS 24 2HD LYS 24 -1.013 -2.073 -5.663
175 HD3 LYS 24 1HD LYS 24 -1.235 -0.526 -4.846
176 HE2 LYS 24 2HE LYS 24 0.901 0.230 -5.403
177 HE3 LYS 24 1HE LYS 24 1.520 -1.401 -5.649
178 HZ1 LYS 24 3HZ LYS 24 -0.468 -0.040 -7.387
179 HZ2 LYS 24 1HZ LYS 24 0.168 -1.593 -7.632
180 HZ3 LYS 24 2HZ LYS 24 1.182 -0.235 -7.747
181 H ASN 25 H ASN 25 0.805 -3.590 -0.358
182 HA ASN 25 HA ASN 25 2.769 -5.226 -1.919
183 HB2 ASN 25 2HB ASN 25 1.974 -6.250 0.733
184 HB3 ASN 25 1HB ASN 25 3.566 -6.082 0.045
185 HD21 ASN 25 1HD2 ASN 25 3.464 -3.228 -0.471
186 HD22 ASN 25 2HD2 ASN 25 3.370 -2.433 1.014
187 H ILE 26 H ILE 26 2.095 -7.773 -1.376
188 HA ILE 26 HA ILE 26 -0.768 -7.925 -2.232
189 HB ILE 26 HB ILE 26 -0.189 -9.855 -3.594
190 HG12 ILE 26 2HG1 ILE 26 1.731 -10.461 -1.923
191 HG13 ILE 26 1HG1 ILE 26 1.928 -10.862 -3.627
192 HG21 ILE 26 1HG2 ILE 26 1.681 -8.637 -5.029
193 HG22 ILE 26 2HG2 ILE 26 1.329 -7.300 -3.935
194 HG23 ILE 26 3HG2 ILE 26 0.046 -7.983 -4.934
195 HD11 ILE 26 3HD1 ILE 26 3.691 -9.467 -3.846
196 HD12 ILE 26 1HD1 ILE 26 3.702 -9.368 -2.085
197 HD13 ILE 26 2HD1 ILE 26 2.846 -8.153 -3.031
198 H TRP 27 H TRP 27 1.516 -8.933 0.108
199 HA TRP 27 HA TRP 27 -0.050 -11.340 0.825
200 HB2 TRP 27 2HB TRP 27 1.731 -10.855 2.916
201 HB3 TRP 27 1HB TRP 27 1.956 -12.008 1.604
202 HD1 TRP 27 HD TRP 27 3.244 -10.994 -0.633
203 HE1 TRP 27 1HE TRP 27 5.183 -9.295 -0.740
204 HE3 TRP 27 3HE TRP 27 2.811 -8.874 3.991
205 HZ2 TRP 27 2HZ TRP 27 6.386 -7.299 0.919
206 HZ3 TRP 27 3HZ TRP 27 4.364 -7.078 4.702
207 HH2 TRP 27 HH TRP 27 6.148 -6.292 3.173
208 H THR 28 H THR 28 -1.720 -11.245 2.243
209 HA THR 28 HA THR 28 -1.683 -9.324 4.450
210 HB THR 28 HB THR 28 -2.545 -8.150 2.298
211 HG1 THR 28 1HG THR 28 -2.849 -7.144 4.208
212 HG21 THR 28 3HG2 THR 28 -5.003 -9.749 3.071
213 HG22 THR 28 1HG2 THR 28 -4.048 -10.000 1.608
214 HG23 THR 28 2HG2 THR 28 -4.929 -8.490 1.839
215 H PHE 29 H PHE 29 -3.706 -9.589 5.811
216 HA PHE 29 HA PHE 29 -4.604 -12.433 5.673
217 HB2 PHE 29 2HB PHE 29 -3.475 -12.019 7.742
218 HB3 PHE 29 1HB PHE 29 -4.325 -10.492 7.978
219 HD1 PHE 29 2HD PHE 29 -4.605 -14.165 8.110
220 HD2 PHE 29 1HD PHE 29 -6.647 -10.435 8.727
221 HE1 PHE 29 2HE PHE 29 -6.407 -15.353 9.330
222 HE2 PHE 29 1HE PHE 29 -8.450 -11.625 9.946
223 HZ PHE 29 HZ PHE 29 -8.329 -14.084 10.250
224 H ASP 30 H ASP 30 -5.654 -9.361 4.944
225 HA ASP 30 HA ASP 30 -8.470 -9.940 5.732
226 HB2 ASP 30 2HB ASP 30 -8.042 -7.367 4.431
227 HB3 ASP 30 1HB ASP 30 -8.739 -7.713 6.012
228 H ASN 31 H ASN 31 -7.107 -8.160 2.953
229 HA ASN 31 HA ASN 31 -8.907 -9.786 1.207
230 HB2 ASN 31 2HB ASN 31 -7.978 -6.940 1.135
231 HB3 ASN 31 1HB ASN 31 -8.344 -7.746 -0.392
232 HD21 ASN 31 1HD2 ASN 31 -10.582 -8.803 -0.506
233 HD22 ASN 31 2HD2 ASN 31 -11.854 -8.068 0.346
234 H ILE 32 H ILE 32 -6.250 -7.787 0.052
235 HA ILE 32 HA ILE 32 -4.445 -10.050 -0.301
236 HB ILE 32 HB ILE 32 -5.766 -10.681 -2.127
237 HG12 ILE 32 2HG1 ILE 32 -4.516 -9.968 -4.169
238 HG13 ILE 32 1HG1 ILE 32 -3.702 -8.744 -3.195
239 HG21 ILE 32 1HG2 ILE 32 -7.301 -9.343 -3.059
240 HG22 ILE 32 2HG2 ILE 32 -6.057 -8.223 -3.613
241 HG23 ILE 32 3HG2 ILE 32 -6.736 -8.055 -1.996
242 HD11 ILE 32 3HD1 ILE 32 -2.155 -10.377 -2.850
243 HD12 ILE 32 1HD1 ILE 32 -3.278 -11.666 -3.283
244 HD13 ILE 32 2HD1 ILE 32 -3.315 -10.973 -1.662
245 H ILE 33 H ILE 33 -5.014 -7.081 -2.221
246 HA ILE 33 HA ILE 33 -2.195 -6.326 -1.741
247 HB ILE 33 HB ILE 33 -4.100 -4.641 -3.334
248 HG12 ILE 33 2HG1 ILE 33 -4.431 -7.096 -3.930
249 HG13 ILE 33 1HG1 ILE 33 -3.935 -6.051 -5.259
250 HG21 ILE 33 1HG2 ILE 33 -2.114 -4.174 -4.633
251 HG22 ILE 33 2HG2 ILE 33 -1.225 -5.464 -3.825
252 HG23 ILE 33 3HG2 ILE 33 -1.693 -4.019 -2.928
253 HD11 ILE 33 3HD1 ILE 33 -1.848 -6.988 -5.398
254 HD12 ILE 33 1HD1 ILE 33 -2.691 -8.375 -4.712
255 HD13 ILE 33 2HD1 ILE 33 -1.763 -7.303 -3.665
256 H ARG 34 H ARG 34 -1.634 -4.296 -0.737
257 HA ARG 34 HA ARG 34 -3.906 -2.777 0.396
258 HB2 ARG 34 2HB ARG 34 -2.853 -4.656 1.981
259 HB3 ARG 34 1HB ARG 34 -1.731 -3.334 2.324
260 HG2 ARG 34 2HG ARG 34 -3.400 -1.948 3.154
261 HG3 ARG 34 1HG ARG 34 -4.660 -2.761 2.234
262 HD2 ARG 34 2HD ARG 34 -4.109 -4.815 3.714
263 HD3 ARG 34 1HD ARG 34 -3.326 -3.643 4.775
264 HE ARG 34 HE ARG 34 -6.213 -3.426 4.011
265 HH11 ARG 34 1HH2 ARG 34 -4.937 -4.811 6.557
266 HH12 ARG 34 2HH2 ARG 34 -5.315 -3.606 7.742
267 HH21 ARG 34 1HH1 ARG 34 -6.135 -1.181 5.401
268 HH22 ARG 34 2HH1 ARG 34 -5.993 -1.550 7.088
269 H ARG 35 H ARG 35 -3.530 -0.826 -0.266
270 HA ARG 35 HA ARG 35 -0.798 0.224 -0.567
271 HB2 ARG 35 2HB ARG 35 -3.450 1.516 -1.227
272 HB3 ARG 35 1HB ARG 35 -1.860 2.086 -1.717
273 HG2 ARG 35 2HG ARG 35 -1.574 0.392 -3.271
274 HG3 ARG 35 1HG ARG 35 -2.617 -0.724 -2.393
275 HD2 ARG 35 2HD ARG 35 -4.491 1.016 -2.984
276 HD3 ARG 35 1HD ARG 35 -3.373 1.495 -4.260
277 HE ARG 35 HE ARG 35 -4.842 -1.038 -4.119
278 HH11 ARG 35 1HH1 ARG 35 -3.276 1.118 -6.115
279 HH12 ARG 35 2HH1 ARG 35 -2.578 -0.070 -7.166
280 HH21 ARG 35 1HH2 ARG 35 -3.483 -2.754 -5.168
281 HH22 ARG 35 2HH2 ARG 35 -2.697 -2.262 -6.630
282 H GLY 36 H GLY 36 -0.000 0.856 1.437
283 HA2 GLY 36 2HA GLY 36 -1.785 2.630 3.058
284 HA3 GLY 36 1HA GLY 36 -0.624 1.524 3.787
285 H CYS 37 H CYS 37 0.073 3.650 4.810
286 HA CYS 37 HA CYS 37 1.836 5.205 2.971
287 HB2 CYS 37 2HB CYS 37 1.817 6.905 4.835
288 HB3 CYS 37 1HB CYS 37 0.245 6.624 4.094
289 H GLY 38 H GLY 38 3.967 4.778 3.137
290 HA2 GLY 38 2HA GLY 38 6.003 4.663 4.518
291 HA3 GLY 38 1HA GLY 38 5.045 3.832 5.751
292 H CYS 39 H CYS 39 6.700 2.069 5.499
293 HA CYS 39 HA CYS 39 6.125 0.460 3.036
294 HB2 CYS 39 2HB CYS 39 8.587 0.298 4.780
295 HB3 CYS 39 1HB CYS 39 8.291 -0.638 3.327
296 H PHE 40 H PHE 40 6.330 -1.911 3.371
297 HA PHE 40 HA PHE 40 4.506 -2.816 5.429
298 HB2 PHE 40 2HB PHE 40 5.740 -5.137 4.645
299 HB3 PHE 40 1HB PHE 40 4.438 -4.373 3.722
300 HD1 PHE 40 1HD PHE 40 8.062 -4.951 3.919
301 HD2 PHE 40 2HD PHE 40 4.902 -2.957 1.834
302 HE1 PHE 40 1HE PHE 40 9.639 -4.325 2.108
303 HE2 PHE 40 2HE PHE 40 6.457 -2.341 0.022
304 HZ PHE 40 HZ PHE 40 8.849 -3.014 0.173
305 H THR 41 H THR 41 5.351 -4.893 6.756
306 HA THR 41 HA THR 41 7.478 -3.809 8.463
307 HB THR 41 HB THR 41 5.345 -5.870 8.806
308 HG1 THR 41 1HG THR 41 6.228 -3.499 9.927
309 HG21 THR 41 3HG2 THR 41 6.388 -6.631 10.913
310 HG22 THR 41 1HG2 THR 41 7.831 -5.689 10.535
311 HG23 THR 41 2HG2 THR 41 7.382 -7.061 9.521
312 HA PRO 42 HA PRO 42 9.588 -7.891 7.385
313 HB2 PRO 42 2HB PRO 42 8.337 -9.670 5.710
314 HB3 PRO 42 1HB PRO 42 8.072 -9.629 7.463
315 HG2 PRO 42 2HG PRO 42 6.242 -8.800 5.292
316 HG3 PRO 42 1HG PRO 42 5.871 -9.177 6.982
317 HD2 PRO 42 2HD PRO 42 6.161 -6.576 5.766
318 HD3 PRO 42 1HD PRO 42 5.774 -6.939 7.460
319 H ARG 43 H ARG 43 9.855 -5.578 5.813
320 HA ARG 43 HA ARG 43 9.728 -5.869 3.024
321 HB2 ARG 43 2HB ARG 43 11.865 -4.375 3.087
322 HB3 ARG 43 1HB ARG 43 10.371 -3.735 3.764
323 HG2 ARG 43 2HG ARG 43 11.980 -5.309 5.665
324 HG3 ARG 43 1HG ARG 43 12.762 -3.831 5.104
325 HD2 ARG 43 2HD ARG 43 9.949 -3.384 5.714
326 HD3 ARG 43 1HD ARG 43 10.825 -4.012 7.111
327 HE ARG 43 HE ARG 43 11.663 -1.821 7.285
328 HH11 ARG 43 1HH2 ARG 43 10.088 -0.818 4.900
329 HH12 ARG 43 2HH2 ARG 43 11.353 -0.245 3.866
330 HH21 ARG 43 1HH1 ARG 43 13.866 -1.934 5.559
331 HH22 ARG 43 2HH1 ARG 43 13.492 -0.881 4.236
332 H GLY 44 H GLY 44 11.598 -6.245 1.521
333 HA2 GLY 44 2HA GLY 44 14.004 -7.438 1.998
334 HA3 GLY 44 1HA GLY 44 12.870 -8.772 2.188
335 H ASP 45 H ASP 45 14.463 -9.292 0.191
336 HA ASP 45 HA ASP 45 13.505 -8.090 -2.326
337 HB2 ASP 45 2HB ASP 45 15.887 -9.357 -1.487
338 HB3 ASP 45 1HB ASP 45 15.166 -10.426 -2.692
339 H MET 46 H MET 46 12.788 -10.788 -0.322
340 HA MET 46 HA MET 46 11.850 -12.641 -2.273
341 HB2 MET 46 2HB MET 46 11.720 -12.335 0.611
342 HB3 MET 46 1HB MET 46 10.203 -12.962 -0.036
343 HG2 MET 46 2HG MET 46 11.137 -14.977 -0.401
344 HG3 MET 46 1HG MET 46 12.425 -14.245 -1.357
345 HE1 MET 46 3HE MET 46 13.686 -16.409 -0.412
346 HE2 MET 46 1HE MET 46 15.005 -15.917 0.658
347 HE3 MET 46 2HE MET 46 14.660 -14.994 -0.802
348 HA PRO 47 HA PRO 47 7.583 -10.559 -1.755
349 HB2 PRO 47 2HB PRO 47 7.493 -8.228 -0.285
350 HB3 PRO 47 1HB PRO 47 7.266 -9.843 0.405
351 HG2 PRO 47 2HG PRO 47 9.608 -8.024 0.621
352 HG3 PRO 47 1HG PRO 47 9.100 -9.330 1.704
353 HD2 PRO 47 2HD PRO 47 11.182 -9.447 -0.230
354 HD3 PRO 47 1HD PRO 47 10.520 -10.818 0.683
355 H GLY 48 H GLY 48 6.558 -8.858 -3.029
356 HA2 GLY 48 2HA GLY 48 8.430 -6.911 -4.249
357 HA3 GLY 48 1HA GLY 48 7.409 -7.906 -5.277
358 HA PRO 49 HA PRO 49 4.329 -5.078 -2.928
359 HB2 PRO 49 2HB PRO 49 5.351 -3.484 -0.950
360 HB3 PRO 49 1HB PRO 49 4.783 -5.133 -0.674
361 HG2 PRO 49 2HG PRO 49 7.570 -4.122 -0.871
362 HG3 PRO 49 1HG PRO 49 6.947 -5.479 0.079
363 HD2 PRO 49 2HD PRO 49 8.337 -5.686 -2.336
364 HD3 PRO 49 1HD PRO 49 7.318 -6.951 -1.618
365 H TYR 50 H TYR 50 4.299 -2.405 -2.303
366 HA TYR 50 HA TYR 50 6.050 -1.121 -4.349
367 HB2 TYR 50 2HB TYR 50 3.302 -1.552 -4.627
368 HB3 TYR 50 1HB TYR 50 3.446 0.147 -4.176
369 HD1 TYR 50 1HD TYR 50 5.958 1.000 -5.328
370 HD2 TYR 50 2HD TYR 50 3.006 -1.664 -6.955
371 HE1 TYR 50 1HE TYR 50 6.725 1.551 -7.620
372 HE2 TYR 50 2HE TYR 50 3.774 -1.112 -9.248
373 HH TYR 50 HH TYR 50 6.631 0.257 -9.949
374 H CYS 51 H CYS 51 7.141 -0.632 -2.049
375 HA CYS 51 HA CYS 51 5.801 1.624 -0.636
376 HB2 CYS 51 2HB CYS 51 7.401 -0.167 0.458
377 HB3 CYS 51 1HB CYS 51 8.652 0.920 -0.154
378 H CYS 52 H CYS 52 6.191 3.680 -1.199
379 HA CYS 52 HA CYS 52 8.711 4.470 -2.499
380 HB2 CYS 52 2HB CYS 52 6.861 5.800 -4.103
381 HB3 CYS 52 1HB CYS 52 7.896 4.479 -4.609
382 H GLU 53 H GLU 53 9.128 6.691 -2.229
383 HA GLU 53 HA GLU 53 7.454 7.957 -0.185
384 HB2 GLU 53 2HB GLU 53 9.817 9.302 -1.442
385 HB3 GLU 53 1HB GLU 53 9.201 9.413 0.208
386 HG2 GLU 53 2HG GLU 53 10.050 7.280 0.799
387 HG3 GLU 53 1HG GLU 53 10.318 6.829 -0.882
388 H SER 54 H SER 54 6.747 7.653 -3.208
389 HA SER 54 HA SER 54 6.337 10.518 -3.863
390 HB2 SER 54 2HB SER 54 5.061 9.128 -5.839
391 HB3 SER 54 1HB SER 54 6.759 9.586 -5.900
392 HG SER 54 HG SER 54 6.670 7.403 -6.241
393 H ASP 55 H ASP 55 4.160 11.369 -4.151
394 HA ASP 55 HA ASP 55 2.298 10.363 -2.200
395 HB2 ASP 55 2HB ASP 55 1.689 12.257 -4.481
396 HB3 ASP 55 1HB ASP 55 0.793 12.085 -2.977
397 H LYS 56 H LYS 56 0.220 9.470 -2.583
398 HA LYS 56 HA LYS 56 -0.941 7.588 -3.454
399 HB2 LYS 56 2HB LYS 56 -2.276 8.267 -5.300
400 HB3 LYS 56 1HB LYS 56 -1.899 9.746 -4.423
401 HG2 LYS 56 2HG LYS 56 0.167 9.187 -6.373
402 HG3 LYS 56 1HG LYS 56 -1.417 9.221 -7.146
403 HD2 LYS 56 2HD LYS 56 -1.872 11.398 -5.991
404 HD3 LYS 56 1HD LYS 56 -0.211 11.381 -5.398
405 HE2 LYS 56 2HE LYS 56 -0.698 11.014 -8.332
406 HE3 LYS 56 1HE LYS 56 -0.807 12.637 -7.647
407 HZ1 LYS 56 3HZ LYS 56 1.463 11.689 -8.480
408 HZ2 LYS 56 1HZ LYS 56 1.497 10.964 -6.947
409 HZ3 LYS 56 2HZ LYS 56 1.388 12.654 -7.085
410 H CYS 57 H CYS 57 1.937 7.259 -3.850
411 HA CYS 57 HA CYS 57 2.451 6.416 -6.569
412 HB2 CYS 57 2HB CYS 57 4.350 6.942 -5.250
413 HB3 CYS 57 1HB CYS 57 3.832 5.883 -3.941
414 H ASN 58 H ASN 58 0.779 4.885 -3.945
415 HA ASN 58 HA ASN 58 1.349 2.170 -4.543
416 HB2 ASN 58 2HB ASN 58 -1.441 2.734 -3.769
417 HB3 ASN 58 1HB ASN 58 -0.269 1.642 -3.050
418 HD21 ASN 58 1HD2 ASN 58 -0.179 2.253 -0.917
419 HD22 ASN 58 2HD2 ASN 58 -0.008 3.847 -0.358
420 H LEU 59 H LEU 59 -0.259 4.479 -6.439
421 HA LEU 59 HA LEU 59 -1.399 2.241 -8.031
422 HB2 LEU 59 2HB LEU 59 -3.210 3.514 -6.947
423 HB3 LEU 59 1HB LEU 59 -2.603 5.001 -7.672
424 HG LEU 59 HG LEU 59 -3.210 4.339 -9.848
425 HD11 LEU 59 1HD1 LEU 59 -2.274 2.153 -10.011
426 HD12 LEU 59 2HD1 LEU 59 -4.005 1.929 -10.265
427 HD13 LEU 59 3HD1 LEU 59 -3.285 1.539 -8.703
428 HD21 LEU 59 3HD2 LEU 59 -5.556 3.752 -9.693
429 HD22 LEU 59 1HD2 LEU 59 -5.160 4.781 -8.315
430 HD23 LEU 59 2HD2 LEU 59 -5.317 3.037 -8.099
Start of MODEL 9
1 H1 ARG 1 1HT ARG 1 3.195 11.838 3.358
2 H2 ARG 1 2HT ARG 1 4.180 12.634 2.235
3 H3 ARG 1 3HT ARG 1 3.057 11.470 1.713
4 HA ARG 1 HA ARG 1 2.167 13.882 3.154
5 HB2 ARG 1 2HB ARG 1 1.717 14.035 0.291
6 HB3 ARG 1 1HB ARG 1 2.399 15.235 1.369
7 HG2 ARG 1 2HG ARG 1 4.042 14.722 -0.319
8 HG3 ARG 1 1HG ARG 1 4.609 14.059 1.206
9 HD2 ARG 1 2HD ARG 1 4.296 11.863 0.519
10 HD3 ARG 1 1HD ARG 1 2.982 12.269 -0.570
11 HE ARG 1 HE ARG 1 5.117 11.734 -1.823
12 HH11 ARG 1 1HH1 ARG 1 6.956 13.568 -0.365
13 HH12 ARG 1 2HH1 ARG 1 7.037 14.933 -1.429
14 HH21 ARG 1 1HH2 ARG 1 4.208 14.034 -3.223
15 HH22 ARG 1 2HH2 ARG 1 5.481 15.196 -3.049
16 H ILE 2 H ILE 2 1.097 12.385 0.103
17 HA ILE 2 HA ILE 2 -1.256 11.295 1.592
18 HB ILE 2 HB ILE 2 -1.349 12.585 -1.143
19 HG12 ILE 2 2HG1 ILE 2 -2.890 13.769 1.045
20 HG13 ILE 2 1HG1 ILE 2 -1.149 13.785 1.330
21 HG21 ILE 2 1HG2 ILE 2 -3.141 11.135 -1.205
22 HG22 ILE 2 2HG2 ILE 2 -3.906 12.440 -0.299
23 HG23 ILE 2 3HG2 ILE 2 -3.256 11.039 0.551
24 HD11 ILE 2 3HD1 ILE 2 -0.742 15.241 -0.391
25 HD12 ILE 2 1HD1 ILE 2 -2.421 15.700 -0.106
26 HD13 ILE 2 2HD1 ILE 2 -2.023 14.566 -1.397
27 H CYS 3 H CYS 3 -0.939 9.119 1.455
28 HA CYS 3 HA CYS 3 0.139 8.170 -1.128
29 HB2 CYS 3 2HB CYS 3 -0.067 6.794 1.552
30 HB3 CYS 3 1HB CYS 3 0.470 5.981 0.087
31 H TYR 4 H TYR 4 -0.786 5.675 -1.442
32 HA TYR 4 HA TYR 4 -3.668 6.178 -1.923
33 HB2 TYR 4 2HB TYR 4 -1.686 5.150 -3.522
34 HB3 TYR 4 1HB TYR 4 -2.485 3.686 -2.956
35 HD1 TYR 4 1HD TYR 4 -3.035 6.967 -4.610
36 HD2 TYR 4 2HD TYR 4 -4.632 3.086 -3.749
37 HE1 TYR 4 1HE TYR 4 -4.854 7.358 -6.241
38 HE2 TYR 4 2HE TYR 4 -6.456 3.470 -5.373
39 HH TYR 4 HH TYR 4 -6.597 5.169 -7.616
40 H ASN 5 H ASN 5 -5.267 4.884 -1.064
41 HA ASN 5 HA ASN 5 -4.400 2.850 0.939
42 HB2 ASN 5 2HB ASN 5 -5.438 4.653 2.094
43 HB3 ASN 5 1HB ASN 5 -6.739 4.761 0.910
44 HD21 ASN 5 1HD2 ASN 5 -5.426 1.790 2.438
45 HD22 ASN 5 2HD2 ASN 5 -6.889 1.342 3.169
46 H HIS 6 H HIS 6 -5.529 2.861 -2.119
47 HA HIS 6 HA HIS 6 -7.929 1.407 -2.130
48 HB2 HIS 6 2HB HIS 6 -7.296 1.837 -4.270
49 HB3 HIS 6 1HB HIS 6 -5.602 1.564 -3.958
50 HD1 HIS 6 1HD HIS 6 -8.209 0.182 -5.859
51 HD2 HIS 6 2HD HIS 6 -5.343 -1.541 -3.374
52 HE1 HIS 6 1HE HIS 6 -8.047 -2.249 -6.532
53 H LEU 7 H LEU 7 -8.496 -0.544 -1.471
54 HA LEU 7 HA LEU 7 -6.354 -2.363 -0.451
55 HB2 LEU 7 2HB LEU 7 -9.275 -2.102 0.305
56 HB3 LEU 7 1HB LEU 7 -8.213 -3.375 0.910
57 HG LEU 7 HG LEU 7 -6.884 -0.850 1.207
58 HD11 LEU 7 1HD1 LEU 7 -9.038 -0.580 3.081
59 HD12 LEU 7 2HD1 LEU 7 -9.711 -0.637 1.452
60 HD13 LEU 7 3HD1 LEU 7 -8.496 0.573 1.861
61 HD21 LEU 7 3HD2 LEU 7 -6.181 -2.365 2.768
62 HD22 LEU 7 1HD2 LEU 7 -7.744 -3.182 2.822
63 HD23 LEU 7 2HD2 LEU 7 -7.498 -1.688 3.727
64 H GLY 8 H GLY 8 -5.963 -4.135 -1.658
65 HA2 GLY 8 2HA GLY 8 -6.285 -5.561 -3.580
66 HA3 GLY 8 1HA GLY 8 -7.407 -6.227 -2.405
67 H THR 9 H THR 9 -9.404 -6.542 -3.193
68 HA THR 9 HA THR 9 -10.258 -5.141 -5.644
69 HB THR 9 HB THR 9 -10.633 -7.587 -5.379
70 HG1 THR 9 1HG THR 9 -13.117 -6.250 -5.330
71 HG21 THR 9 3HG2 THR 9 -12.589 -8.176 -3.809
72 HG22 THR 9 1HG2 THR 9 -12.275 -6.622 -3.039
73 HG23 THR 9 2HG2 THR 9 -11.023 -7.863 -3.060
74 H LYS 10 H LYS 10 -10.199 -4.151 -2.607
75 HA LYS 10 HA LYS 10 -12.965 -3.370 -2.127
76 HB2 LYS 10 2HB LYS 10 -10.464 -3.292 -0.729
77 HB3 LYS 10 1HB LYS 10 -11.126 -1.660 -0.750
78 HG2 LYS 10 2HG LYS 10 -13.333 -2.672 0.011
79 HG3 LYS 10 1HG LYS 10 -12.458 -4.182 0.265
80 HD2 LYS 10 2HD LYS 10 -11.360 -1.666 1.466
81 HD3 LYS 10 1HD LYS 10 -12.734 -2.451 2.247
82 HE2 LYS 10 2HE LYS 10 -10.628 -4.336 1.461
83 HE3 LYS 10 1HE LYS 10 -10.080 -3.134 2.629
84 HZ1 LYS 10 3HZ LYS 10 -11.728 -3.756 4.145
85 HZ2 LYS 10 1HZ LYS 10 -11.130 -5.227 3.548
86 HZ3 LYS 10 2HZ LYS 10 -12.612 -4.623 2.981
87 HA PRO 11 HA PRO 11 -13.043 0.447 -4.299
88 HB2 PRO 11 2HB PRO 11 -13.670 2.388 -2.442
89 HB3 PRO 11 1HB PRO 11 -14.839 1.223 -3.087
90 HG2 PRO 11 2HG PRO 11 -13.500 1.261 -0.418
91 HG3 PRO 11 1HG PRO 11 -15.079 0.599 -0.872
92 HD2 PRO 11 2HD PRO 11 -12.755 -0.909 -0.455
93 HD3 PRO 11 1HD PRO 11 -14.198 -1.479 -1.316
94 HA PRO 12 HA PRO 12 -8.940 1.999 -3.836
95 HB2 PRO 12 2HB PRO 12 -8.964 3.664 -6.027
96 HB3 PRO 12 1HB PRO 12 -8.760 1.909 -6.127
97 HG2 PRO 12 2HG PRO 12 -11.163 3.558 -6.753
98 HG3 PRO 12 1HG PRO 12 -10.674 1.993 -7.423
99 HD2 PRO 12 2HD PRO 12 -12.658 2.383 -5.458
100 HD3 PRO 12 1HD PRO 12 -11.882 0.834 -5.850
101 H THR 13 H THR 13 -8.414 3.473 -2.302
102 HA THR 13 HA THR 13 -9.374 6.262 -2.669
103 HB THR 13 HB THR 13 -10.971 5.787 -1.081
104 HG1 THR 13 1HG THR 13 -9.944 7.250 0.070
105 HG21 THR 13 3HG2 THR 13 -9.095 3.852 0.297
106 HG22 THR 13 1HG2 THR 13 -10.239 3.370 -0.957
107 HG23 THR 13 2HG2 THR 13 -10.828 4.033 0.566
108 H THR 14 H THR 14 -7.966 7.812 -1.683
109 HA THR 14 HA THR 14 -5.263 6.721 -1.135
110 HB THR 14 HB THR 14 -4.775 9.316 -1.084
111 HG1 THR 14 1HG THR 14 -6.665 10.265 -1.282
112 HG21 THR 14 3HG2 THR 14 -3.898 7.821 -2.778
113 HG22 THR 14 1HG2 THR 14 -4.552 9.252 -3.572
114 HG23 THR 14 2HG2 THR 14 -5.467 7.744 -3.578
115 H GLU 15 H GLU 15 -4.056 7.612 0.736
116 HA GLU 15 HA GLU 15 -5.825 8.549 2.946
117 HB2 GLU 15 2HB GLU 15 -4.680 6.970 4.490
118 HB3 GLU 15 1HB GLU 15 -5.584 6.127 3.232
119 HG2 GLU 15 2HG GLU 15 -3.697 5.084 2.588
120 HG3 GLU 15 1HG GLU 15 -2.973 6.647 2.210
121 H THR 16 H THR 16 -4.944 10.386 3.758
122 HA THR 16 HA THR 16 -2.290 11.239 3.046
123 HB THR 16 HB THR 16 -3.098 12.681 5.340
124 HG1 THR 16 1HG THR 16 -5.173 12.529 5.359
125 HG21 THR 16 3HG2 THR 16 -3.071 14.469 3.880
126 HG22 THR 16 1HG2 THR 16 -3.896 13.573 2.605
127 HG23 THR 16 2HG2 THR 16 -2.183 13.290 2.915
128 H CYS 17 H CYS 17 -0.378 11.014 4.149
129 HA CYS 17 HA CYS 17 -0.474 9.846 6.886
130 HB2 CYS 17 2HB CYS 17 -0.074 8.245 4.746
131 HB3 CYS 17 1HB CYS 17 1.583 8.757 5.055
132 H GLN 18 H GLN 18 2.092 9.561 7.484
133 HA GLN 18 HA GLN 18 3.174 12.314 7.263
134 HB2 GLN 18 2HB GLN 18 3.031 11.245 9.497
135 HB3 GLN 18 1HB GLN 18 4.114 9.973 8.941
136 HG2 GLN 18 2HG GLN 18 5.336 11.771 10.160
137 HG3 GLN 18 1HG GLN 18 5.871 11.601 8.492
138 HE21 GLN 18 1HE2 GLN 18 5.159 13.255 6.928
139 HE22 GLN 18 2HE2 GLN 18 4.599 14.767 7.460
140 H GLU 19 H GLU 19 4.166 8.949 6.757
141 HA GLU 19 HA GLU 19 6.782 9.624 5.769
142 HB2 GLU 19 2HB GLU 19 5.651 7.193 4.572
143 HB3 GLU 19 1HB GLU 19 7.105 7.383 5.542
144 HG2 GLU 19 2HG GLU 19 5.448 7.682 7.540
145 HG3 GLU 19 1HG GLU 19 4.280 6.912 6.465
146 H ASP 20 H ASP 20 7.337 10.431 3.824
147 HA ASP 20 HA ASP 20 5.268 11.142 1.920
148 HB2 ASP 20 2HB ASP 20 7.787 11.311 0.606
149 HB3 ASP 20 1HB ASP 20 6.814 12.630 1.245
150 H SER 21 H SER 21 7.118 8.352 2.471
151 HA SER 21 HA SER 21 7.022 7.416 -0.297
152 HB2 SER 21 2HB SER 21 7.652 5.869 2.230
153 HB3 SER 21 1HB SER 21 7.991 5.355 0.580
154 HG SER 21 HG SER 21 9.312 7.271 0.418
155 H CYS 22 H CYS 22 5.786 5.319 -0.777
156 HA CYS 22 HA CYS 22 3.413 4.986 0.983
157 HB2 CYS 22 2HB CYS 22 3.195 5.114 -2.030
158 HB3 CYS 22 1HB CYS 22 1.885 5.095 -0.854
159 H TYR 23 H TYR 23 3.079 2.840 1.349
160 HA TYR 23 HA TYR 23 4.557 0.992 -0.444
161 HB2 TYR 23 2HB TYR 23 5.034 -0.440 1.334
162 HB3 TYR 23 1HB TYR 23 5.265 1.158 2.008
163 HD1 TYR 23 1HD TYR 23 2.757 2.143 2.874
164 HD2 TYR 23 2HD TYR 23 4.086 -1.930 2.811
165 HE1 TYR 23 1HE TYR 23 1.178 1.611 4.697
166 HE2 TYR 23 2HE TYR 23 2.480 -2.469 4.627
167 HH TYR 23 HH TYR 23 0.429 -1.605 5.588
168 H LYS 24 H LYS 24 3.541 -0.403 -1.550
169 HA LYS 24 HA LYS 24 0.771 -1.169 -0.731
170 HB2 LYS 24 2HB LYS 24 0.372 0.133 -2.625
171 HB3 LYS 24 1HB LYS 24 1.832 -0.409 -3.435
172 HG2 LYS 24 2HG LYS 24 0.863 -2.633 -3.746
173 HG3 LYS 24 1HG LYS 24 -0.580 -2.140 -2.855
174 HD2 LYS 24 2HD LYS 24 -1.025 -1.970 -5.243
175 HD3 LYS 24 1HD LYS 24 -0.969 -0.353 -4.545
176 HE2 LYS 24 2HE LYS 24 0.857 0.227 -5.744
177 HE3 LYS 24 1HE LYS 24 1.650 -1.318 -5.440
178 HZ1 LYS 24 3HZ LYS 24 -0.542 -1.775 -7.111
179 HZ2 LYS 24 1HZ LYS 24 1.105 -1.956 -7.471
180 HZ3 LYS 24 2HZ LYS 24 0.333 -0.470 -7.759
181 H ASN 25 H ASN 25 0.935 -3.172 -0.022
182 HA ASN 25 HA ASN 25 2.842 -5.052 -1.340
183 HB2 ASN 25 2HB ASN 25 2.267 -6.189 1.068
184 HB3 ASN 25 1HB ASN 25 3.626 -5.115 0.812
185 HD21 ASN 25 1HD2 ASN 25 2.727 -2.580 0.923
186 HD22 ASN 25 2HD2 ASN 25 1.738 -2.282 2.262
187 H ILE 26 H ILE 26 2.136 -7.453 -0.946
188 HA ILE 26 HA ILE 26 -0.713 -7.949 -0.865
189 HB ILE 26 HB ILE 26 -1.134 -8.507 -3.092
190 HG12 ILE 26 2HG1 ILE 26 0.882 -8.705 -4.743
191 HG13 ILE 26 1HG1 ILE 26 1.843 -8.926 -3.281
192 HG21 ILE 26 1HG2 ILE 26 0.955 -6.320 -3.245
193 HG22 ILE 26 2HG2 ILE 26 -0.778 -6.104 -2.999
194 HG23 ILE 26 3HG2 ILE 26 -0.178 -6.722 -4.533
195 HD11 ILE 26 3HD1 ILE 26 -0.355 -10.579 -2.874
196 HD12 ILE 26 1HD1 ILE 26 1.254 -11.100 -3.372
197 HD13 ILE 26 2HD1 ILE 26 0.014 -10.789 -4.587
198 H TRP 27 H TRP 27 -0.760 -9.774 0.290
199 HA TRP 27 HA TRP 27 0.990 -12.036 -0.481
200 HB2 TRP 27 2HB TRP 27 0.702 -11.534 2.457
201 HB3 TRP 27 1HB TRP 27 1.979 -12.374 1.584
202 HD1 TRP 27 HD TRP 27 3.240 -10.514 -0.278
203 HE1 TRP 27 1HE TRP 27 4.234 -8.239 0.372
204 HE3 TRP 27 3HE TRP 27 0.783 -9.732 4.122
205 HZ2 TRP 27 2HZ TRP 27 4.023 -6.337 2.515
206 HZ3 TRP 27 3HZ TRP 27 1.206 -7.688 5.457
207 HH2 TRP 27 HH TRP 27 2.827 -5.990 4.660
208 H THR 28 H THR 28 -1.473 -11.133 1.981
209 HA THR 28 HA THR 28 -2.568 -13.831 1.984
210 HB THR 28 HB THR 28 -3.890 -11.348 3.091
211 HG1 THR 28 1HG THR 28 -2.709 -11.949 5.019
212 HG21 THR 28 3HG2 THR 28 -4.526 -13.168 4.838
213 HG22 THR 28 1HG2 THR 28 -4.053 -14.313 3.583
214 HG23 THR 28 2HG2 THR 28 -5.361 -13.168 3.285
215 H PHE 29 H PHE 29 -5.026 -14.079 1.643
216 HA PHE 29 HA PHE 29 -5.638 -13.132 -1.069
217 HB2 PHE 29 2HB PHE 29 -7.376 -14.816 0.753
218 HB3 PHE 29 1HB PHE 29 -7.467 -14.693 -1.005
219 HD1 PHE 29 1HD PHE 29 -5.021 -15.100 -2.165
220 HD2 PHE 29 2HD PHE 29 -6.364 -16.745 1.568
221 HE1 PHE 29 1HE PHE 29 -3.369 -16.937 -2.381
222 HE2 PHE 29 2HE PHE 29 -4.712 -18.583 1.352
223 HZ PHE 29 HZ PHE 29 -3.215 -18.679 -0.623
224 H ASP 30 H ASP 30 -7.610 -13.190 1.941
225 HA ASP 30 HA ASP 30 -9.543 -11.328 1.203
226 HB2 ASP 30 2HB ASP 30 -9.262 -10.561 3.751
227 HB3 ASP 30 1HB ASP 30 -9.948 -12.133 3.339
228 H ASN 31 H ASN 31 -6.931 -10.208 3.359
229 HA ASN 31 HA ASN 31 -7.025 -7.548 2.157
230 HB2 ASN 31 2HB ASN 31 -4.789 -8.562 3.917
231 HB3 ASN 31 1HB ASN 31 -5.442 -6.928 3.802
232 HD21 ASN 31 1HD2 ASN 31 -5.203 -8.618 6.260
233 HD22 ASN 31 2HD2 ASN 31 -6.782 -8.776 6.864
234 H ILE 32 H ILE 32 -6.650 -8.719 -0.031
235 HA ILE 32 HA ILE 32 -4.075 -9.802 -0.633
236 HB ILE 32 HB ILE 32 -5.804 -10.379 -2.117
237 HG12 ILE 32 2HG1 ILE 32 -5.081 -9.481 -4.312
238 HG13 ILE 32 1HG1 ILE 32 -4.154 -8.240 -3.478
239 HG21 ILE 32 1HG2 ILE 32 -6.606 -7.942 -3.341
240 HG22 ILE 32 2HG2 ILE 32 -6.710 -7.725 -1.594
241 HG23 ILE 32 3HG2 ILE 32 -7.581 -9.047 -2.371
242 HD11 ILE 32 3HD1 ILE 32 -3.685 -11.210 -3.526
243 HD12 ILE 32 1HD1 ILE 32 -3.034 -10.216 -2.224
244 HD13 ILE 32 2HD1 ILE 32 -2.551 -9.910 -3.892
245 H ILE 33 H ILE 33 -5.144 -6.819 -2.315
246 HA ILE 33 HA ILE 33 -2.366 -5.850 -2.047
247 HB ILE 33 HB ILE 33 -4.480 -4.237 -3.414
248 HG12 ILE 33 2HG1 ILE 33 -4.823 -6.640 -4.083
249 HG13 ILE 33 1HG1 ILE 33 -4.375 -5.577 -5.413
250 HG21 ILE 33 1HG2 ILE 33 -2.188 -4.521 -4.988
251 HG22 ILE 33 2HG2 ILE 33 -1.582 -4.465 -3.332
252 HG23 ILE 33 3HG2 ILE 33 -2.583 -3.152 -3.951
253 HD11 ILE 33 3HD1 ILE 33 -3.038 -7.604 -5.559
254 HD12 ILE 33 1HD1 ILE 33 -2.521 -7.421 -3.883
255 HD13 ILE 33 2HD1 ILE 33 -1.991 -6.261 -5.100
256 H ARG 34 H ARG 34 -1.815 -3.980 -0.949
257 HA ARG 34 HA ARG 34 -3.991 -2.405 0.272
258 HB2 ARG 34 2HB ARG 34 -3.372 -4.221 1.901
259 HB3 ARG 34 1HB ARG 34 -1.770 -3.482 1.998
260 HG2 ARG 34 2HG ARG 34 -2.730 -1.378 2.724
261 HG3 ARG 34 1HG ARG 34 -4.359 -2.002 2.507
262 HD2 ARG 34 2HD ARG 34 -4.316 -2.758 4.615
263 HD3 ARG 34 1HD ARG 34 -3.011 -3.854 4.160
264 HE ARG 34 HE ARG 34 -1.911 -1.261 4.642
265 HH11 ARG 34 1HH2 ARG 34 -3.061 -4.153 6.101
266 HH12 ARG 34 2HH2 ARG 34 -2.411 -3.786 7.664
267 HH21 ARG 34 1HH1 ARG 34 -1.204 -0.675 6.724
268 HH22 ARG 34 2HH1 ARG 34 -1.358 -1.818 8.015
269 H ARG 35 H ARG 35 -3.489 -0.457 -0.424
270 HA ARG 35 HA ARG 35 -0.690 0.402 -0.729
271 HB2 ARG 35 2HB ARG 35 -3.324 1.725 -1.390
272 HB3 ARG 35 1HB ARG 35 -1.757 2.496 -1.635
273 HG2 ARG 35 2HG ARG 35 -1.398 1.334 -3.519
274 HG3 ARG 35 1HG ARG 35 -1.762 -0.190 -2.718
275 HD2 ARG 35 2HD ARG 35 -4.259 0.697 -2.915
276 HD3 ARG 35 1HD ARG 35 -3.578 1.629 -4.249
277 HE ARG 35 HE ARG 35 -3.382 -1.355 -4.108
278 HH11 ARG 35 1HH2 ARG 35 -4.818 1.295 -5.629
279 HH12 ARG 35 2HH2 ARG 35 -4.545 0.730 -7.243
280 HH21 ARG 35 1HH1 ARG 35 -2.592 -1.958 -6.256
281 HH22 ARG 35 2HH1 ARG 35 -3.286 -1.112 -7.598
282 H GLY 36 H GLY 36 0.341 1.439 0.896
283 HA2 GLY 36 2HA GLY 36 -1.325 2.965 2.847
284 HA3 GLY 36 1HA GLY 36 -0.067 1.874 3.400
285 H CYS 37 H CYS 37 1.008 3.665 4.402
286 HA CYS 37 HA CYS 37 2.401 5.467 2.460
287 HB2 CYS 37 2HB CYS 37 2.446 7.157 4.253
288 HB3 CYS 37 1HB CYS 37 0.786 6.685 3.881
289 H GLY 38 H GLY 38 4.582 5.051 2.424
290 HA2 GLY 38 2HA GLY 38 6.738 4.717 3.355
291 HA3 GLY 38 1HA GLY 38 5.995 4.565 4.948
292 H CYS 39 H CYS 39 7.955 2.777 3.610
293 HA CYS 39 HA CYS 39 6.642 0.403 2.693
294 HB2 CYS 39 2HB CYS 39 9.292 0.627 4.101
295 HB3 CYS 39 1HB CYS 39 8.743 -0.753 3.166
296 H PHE 40 H PHE 40 6.230 -1.545 3.810
297 HA PHE 40 HA PHE 40 4.995 -1.185 6.371
298 HB2 PHE 40 2HB PHE 40 5.046 -3.775 6.353
299 HB3 PHE 40 1HB PHE 40 4.141 -2.958 5.091
300 HD1 PHE 40 2HD PHE 40 7.752 -2.695 4.866
301 HD2 PHE 40 1HD PHE 40 4.362 -5.072 3.754
302 HE1 PHE 40 2HE PHE 40 9.134 -3.845 3.182
303 HE2 PHE 40 1HE PHE 40 5.757 -6.234 2.058
304 HZ PHE 40 HZ PHE 40 8.139 -5.626 1.776
305 H THR 41 H THR 41 5.687 -2.810 8.260
306 HA THR 41 HA THR 41 8.353 -1.927 9.022
307 HB THR 41 HB THR 41 6.718 -3.860 10.627
308 HG1 THR 41 1HG THR 41 6.218 -1.178 10.002
309 HG21 THR 41 3HG2 THR 41 8.224 -3.336 12.202
310 HG22 THR 41 1HG2 THR 41 7.886 -1.616 12.000
311 HG23 THR 41 2HG2 THR 41 9.104 -2.400 10.994
312 HA PRO 42 HA PRO 42 9.350 -6.557 8.989
313 HB2 PRO 42 2HB PRO 42 7.515 -8.282 7.888
314 HB3 PRO 42 1HB PRO 42 7.522 -7.811 9.596
315 HG2 PRO 42 2HG PRO 42 5.641 -7.003 7.453
316 HG3 PRO 42 1HG PRO 42 5.423 -6.953 9.210
317 HD2 PRO 42 2HD PRO 42 6.082 -4.772 7.464
318 HD3 PRO 42 1HD PRO 42 5.931 -4.714 9.232
319 H ARG 43 H ARG 43 9.857 -4.736 6.894
320 HA ARG 43 HA ARG 43 9.387 -5.742 4.275
321 HB2 ARG 43 2HB ARG 43 11.370 -4.418 3.607
322 HB3 ARG 43 1HB ARG 43 10.307 -3.501 4.667
323 HG2 ARG 43 2HG ARG 43 11.832 -4.522 6.570
324 HG3 ARG 43 1HG ARG 43 12.992 -4.686 5.253
325 HD2 ARG 43 2HD ARG 43 12.140 -2.149 4.813
326 HD3 ARG 43 1HD ARG 43 11.957 -2.235 6.564
327 HE ARG 43 HE ARG 43 14.518 -2.522 5.085
328 HH11 ARG 43 1HH2 ARG 43 14.054 -4.179 7.678
329 HH12 ARG 43 2HH2 ARG 43 14.839 -3.155 8.833
330 HH21 ARG 43 1HH1 ARG 43 14.962 -0.412 6.717
331 HH22 ARG 43 2HH1 ARG 43 15.353 -1.024 8.289
332 H GLY 44 H GLY 44 11.428 -6.455 2.890
333 HA2 GLY 44 2HA GLY 44 13.591 -7.855 3.656
334 HA3 GLY 44 1HA GLY 44 12.300 -8.969 4.093
335 H ASP 45 H ASP 45 13.365 -10.375 2.414
336 HA ASP 45 HA ASP 45 12.909 -9.513 -0.383
337 HB2 ASP 45 2HB ASP 45 14.377 -11.786 0.931
338 HB3 ASP 45 1HB ASP 45 13.923 -11.903 -0.769
339 H MET 46 H MET 46 11.155 -11.020 2.040
340 HA MET 46 HA MET 46 9.847 -13.066 0.453
341 HB2 MET 46 2HB MET 46 9.950 -12.462 3.151
342 HB3 MET 46 1HB MET 46 8.298 -12.030 2.710
343 HG2 MET 46 2HG MET 46 9.626 -14.685 2.088
344 HG3 MET 46 1HG MET 46 8.474 -14.410 3.396
345 HE1 MET 46 3HE MET 46 5.197 -13.561 1.752
346 HE2 MET 46 1HE MET 46 6.400 -12.864 2.845
347 HE3 MET 46 2HE MET 46 5.856 -14.524 3.073
348 HA PRO 47 HA PRO 47 6.404 -9.789 0.087
349 HB2 PRO 47 2HB PRO 47 6.917 -7.292 1.092
350 HB3 PRO 47 1HB PRO 47 6.202 -8.602 2.047
351 HG2 PRO 47 2HG PRO 47 8.953 -7.483 2.172
352 HG3 PRO 47 1HG PRO 47 8.044 -8.362 3.411
353 HD2 PRO 47 2HD PRO 47 10.088 -9.415 1.728
354 HD3 PRO 47 1HD PRO 47 9.047 -10.338 2.827
355 H GLY 48 H GLY 48 5.992 -8.121 -1.501
356 HA2 GLY 48 2HA GLY 48 8.294 -6.782 -2.733
357 HA3 GLY 48 1HA GLY 48 7.404 -7.909 -3.758
358 HA PRO 49 HA PRO 49 4.208 -4.556 -2.499
359 HB2 PRO 49 2HB PRO 49 5.142 -2.494 -0.940
360 HB3 PRO 49 1HB PRO 49 4.423 -3.965 -0.280
361 HG2 PRO 49 2HG PRO 49 7.297 -3.177 -0.413
362 HG3 PRO 49 1HG PRO 49 6.456 -4.178 0.773
363 HD2 PRO 49 2HD PRO 49 8.067 -5.189 -1.278
364 HD3 PRO 49 1HD PRO 49 6.831 -6.120 -0.409
365 H TYR 50 H TYR 50 4.266 -1.863 -2.525
366 HA TYR 50 HA TYR 50 6.136 -1.138 -4.732
367 HB2 TYR 50 2HB TYR 50 3.466 -1.443 -5.102
368 HB3 TYR 50 1HB TYR 50 3.509 0.243 -4.589
369 HD1 TYR 50 2HD TYR 50 4.643 -2.176 -7.137
370 HD2 TYR 50 1HD TYR 50 4.601 1.947 -5.932
371 HE1 TYR 50 2HE TYR 50 5.446 -1.512 -9.387
372 HE2 TYR 50 1HE TYR 50 5.405 2.612 -8.182
373 HH TYR 50 HH TYR 50 5.262 1.535 -10.577
374 H CYS 51 H CYS 51 7.442 -0.353 -2.885
375 HA CYS 51 HA CYS 51 6.438 1.823 -1.208
376 HB2 CYS 51 2HB CYS 51 9.134 0.583 -1.735
377 HB3 CYS 51 1HB CYS 51 9.007 2.116 -0.871
378 H CYS 52 H CYS 52 5.989 3.762 -2.231
379 HA CYS 52 HA CYS 52 7.984 4.703 -4.254
380 HB2 CYS 52 2HB CYS 52 5.878 4.120 -5.364
381 HB3 CYS 52 1HB CYS 52 4.996 5.193 -4.287
382 H GLU 53 H GLU 53 8.170 7.016 -4.384
383 HA GLU 53 HA GLU 53 7.500 8.335 -1.788
384 HB2 GLU 53 2HB GLU 53 9.701 9.291 -3.600
385 HB3 GLU 53 1HB GLU 53 9.524 9.497 -1.855
386 HG2 GLU 53 2HG GLU 53 9.931 7.111 -1.499
387 HG3 GLU 53 1HG GLU 53 10.050 6.854 -3.240
388 H SER 54 H SER 54 5.420 8.602 -3.138
389 HA SER 54 HA SER 54 5.374 11.361 -4.089
390 HB2 SER 54 2HB SER 54 4.047 9.719 -6.097
391 HB3 SER 54 1HB SER 54 5.217 11.015 -6.317
392 HG SER 54 HG SER 54 6.824 9.593 -6.272
393 H ASP 55 H ASP 55 3.191 12.163 -4.053
394 HA ASP 55 HA ASP 55 1.498 10.735 -2.219
395 HB2 ASP 55 2HB ASP 55 0.286 12.837 -3.939
396 HB3 ASP 55 1HB ASP 55 0.168 12.604 -2.199
397 H LYS 56 H LYS 56 -0.282 9.452 -2.630
398 HA LYS 56 HA LYS 56 -1.583 7.943 -3.896
399 HB2 LYS 56 2HB LYS 56 -2.756 9.957 -4.564
400 HB3 LYS 56 1HB LYS 56 -1.489 10.367 -5.719
401 HG2 LYS 56 2HG LYS 56 -2.488 7.698 -6.228
402 HG3 LYS 56 1HG LYS 56 -3.812 8.865 -6.221
403 HD2 LYS 56 2HD LYS 56 -1.358 9.731 -7.635
404 HD3 LYS 56 1HD LYS 56 -2.242 8.405 -8.391
405 HE2 LYS 56 2HE LYS 56 -3.534 10.999 -7.502
406 HE3 LYS 56 1HE LYS 56 -2.989 10.689 -9.150
407 HZ1 LYS 56 3HZ LYS 56 -4.420 8.541 -8.830
408 HZ2 LYS 56 1HZ LYS 56 -5.145 10.005 -9.285
409 HZ3 LYS 56 2HZ LYS 56 -5.215 9.490 -7.667
410 H CYS 57 H CYS 57 1.221 7.560 -4.035
411 HA CYS 57 HA CYS 57 1.813 7.121 -6.905
412 HB2 CYS 57 2HB CYS 57 3.441 8.193 -5.233
413 HB3 CYS 57 1HB CYS 57 3.670 6.563 -4.600
414 H ASN 58 H ASN 58 0.729 5.188 -4.200
415 HA ASN 58 HA ASN 58 1.914 2.796 -5.413
416 HB2 ASN 58 2HB ASN 58 0.417 1.725 -3.464
417 HB3 ASN 58 1HB ASN 58 2.035 2.342 -3.185
418 HD21 ASN 58 1HD2 ASN 58 0.635 2.333 -0.911
419 HD22 ASN 58 2HD2 ASN 58 -0.030 3.857 -0.533
420 H LEU 59 H LEU 59 -0.199 4.382 -6.790
421 HA LEU 59 HA LEU 59 -2.670 2.919 -6.723
422 HB2 LEU 59 2HB LEU 59 -1.734 5.187 -8.022
423 HB3 LEU 59 1HB LEU 59 -1.966 4.036 -9.338
424 HG LEU 59 HG LEU 59 -4.014 4.882 -7.280
425 HD11 LEU 59 1HD1 LEU 59 -5.136 5.256 -9.720
426 HD12 LEU 59 2HD1 LEU 59 -3.440 5.533 -10.116
427 HD13 LEU 59 3HD1 LEU 59 -4.227 6.507 -8.874
428 HD21 LEU 59 3HD2 LEU 59 -4.595 3.032 -9.575
429 HD22 LEU 59 1HD2 LEU 59 -5.463 3.220 -8.052
430 HD23 LEU 59 2HD2 LEU 59 -3.920 2.368 -8.087
Start of MODEL 10
1 H1 ARG 1 1HT ARG 1 2.239 13.396 3.901
2 H2 ARG 1 2HT ARG 1 1.510 14.741 3.162
3 H3 ARG 1 3HT ARG 1 3.199 14.561 3.127
4 HA ARG 1 HA ARG 1 2.136 13.991 0.998
5 HB2 ARG 1 2HB ARG 1 3.967 12.384 2.590
6 HB3 ARG 1 1HB ARG 1 3.093 11.396 1.423
7 HG2 ARG 1 2HG ARG 1 4.224 14.009 0.503
8 HG3 ARG 1 1HG ARG 1 5.330 12.655 0.737
9 HD2 ARG 1 2HD ARG 1 2.806 12.461 -0.926
10 HD3 ARG 1 1HD ARG 1 4.380 12.857 -1.603
11 HE ARG 1 HE ARG 1 5.083 10.622 -1.249
12 HH11 ARG 1 1HH1 ARG 1 1.780 11.133 -0.390
13 HH12 ARG 1 2HH1 ARG 1 1.553 9.524 0.195
14 HH21 ARG 1 1HH2 ARG 1 4.849 8.592 -0.242
15 HH22 ARG 1 2HH2 ARG 1 3.274 8.096 0.276
16 H ILE 2 H ILE 2 0.586 12.655 -0.109
17 HA ILE 2 HA ILE 2 -1.178 11.059 1.719
18 HB ILE 2 HB ILE 2 -2.065 12.389 -0.836
19 HG12 ILE 2 2HG1 ILE 2 -3.099 13.685 1.484
20 HG13 ILE 2 1HG1 ILE 2 -1.347 13.565 1.657
21 HG21 ILE 2 1HG2 ILE 2 -4.141 12.097 1.058
22 HG22 ILE 2 2HG2 ILE 2 -3.232 10.587 1.107
23 HG23 ILE 2 3HG2 ILE 2 -3.908 11.159 -0.417
24 HD11 ILE 2 3HD1 ILE 2 -1.374 15.477 0.398
25 HD12 ILE 2 1HD1 ILE 2 -2.948 15.110 -0.308
26 HD13 ILE 2 2HD1 ILE 2 -1.496 14.328 -0.934
27 H CYS 3 H CYS 3 -0.922 8.925 1.264
28 HA CYS 3 HA CYS 3 -0.579 8.269 -1.609
29 HB2 CYS 3 2HB CYS 3 1.222 7.616 0.223
30 HB3 CYS 3 1HB CYS 3 0.100 6.286 0.530
31 H TYR 4 H TYR 4 -1.403 5.689 -1.771
32 HA TYR 4 HA TYR 4 -4.249 5.916 -0.973
33 HB2 TYR 4 2HB TYR 4 -2.755 4.106 -2.875
34 HB3 TYR 4 1HB TYR 4 -4.358 3.679 -2.317
35 HD1 TYR 4 1HD TYR 4 -2.535 6.668 -3.681
36 HD2 TYR 4 2HD TYR 4 -6.163 4.372 -3.576
37 HE1 TYR 4 1HE TYR 4 -3.540 8.171 -5.374
38 HE2 TYR 4 2HE TYR 4 -7.166 5.878 -5.267
39 HH TYR 4 HH TYR 4 -6.596 8.541 -5.924
40 H ASN 5 H ASN 5 -5.222 4.454 0.425
41 HA ASN 5 HA ASN 5 -3.385 2.615 1.884
42 HB2 ASN 5 2HB ASN 5 -4.082 4.037 3.559
43 HB3 ASN 5 1HB ASN 5 -5.602 4.410 2.752
44 HD21 ASN 5 1HD2 ASN 5 -4.241 1.199 3.628
45 HD22 ASN 5 2HD2 ASN 5 -5.554 0.741 4.596
46 H HIS 6 H HIS 6 -6.350 2.955 0.095
47 HA HIS 6 HA HIS 6 -7.754 0.667 0.886
48 HB2 HIS 6 2HB HIS 6 -9.071 0.981 -1.019
49 HB3 HIS 6 1HB HIS 6 -8.361 2.575 -0.803
50 HD1 HIS 6 1HD HIS 6 -6.054 2.955 -2.254
51 HD2 HIS 6 2HD HIS 6 -8.596 -0.093 -3.522
52 HE1 HIS 6 1HE HIS 6 -5.402 2.427 -4.644
53 H LEU 7 H LEU 7 -7.736 -1.494 0.291
54 HA LEU 7 HA LEU 7 -5.201 -2.500 -0.815
55 HB2 LEU 7 2HB LEU 7 -7.577 -3.750 0.554
56 HB3 LEU 7 1HB LEU 7 -6.398 -4.753 -0.290
57 HG LEU 7 HG LEU 7 -4.591 -3.745 1.077
58 HD11 LEU 7 1HD1 LEU 7 -5.265 -2.400 3.071
59 HD12 LEU 7 2HD1 LEU 7 -6.921 -2.383 2.465
60 HD13 LEU 7 3HD1 LEU 7 -5.641 -1.585 1.553
61 HD21 LEU 7 3HD2 LEU 7 -5.512 -5.825 1.868
62 HD22 LEU 7 1HD2 LEU 7 -6.924 -5.007 2.541
63 HD23 LEU 7 2HD2 LEU 7 -5.336 -4.773 3.274
64 H GLY 8 H GLY 8 -5.013 -3.577 -2.763
65 HA2 GLY 8 1HA GLY 8 -5.575 -3.804 -5.067
66 HA3 GLY 8 2HA GLY 8 -6.750 -4.910 -4.360
67 H THR 9 H THR 9 -8.700 -4.551 -5.284
68 HA THR 9 HA THR 9 -9.492 -1.729 -5.878
69 HB THR 9 HB THR 9 -11.254 -3.050 -7.338
70 HG1 THR 9 1HG THR 9 -10.887 -5.108 -7.092
71 HG21 THR 9 3HG2 THR 9 -9.552 -1.557 -8.256
72 HG22 THR 9 1HG2 THR 9 -9.622 -3.034 -9.216
73 HG23 THR 9 2HG2 THR 9 -8.319 -2.801 -8.052
74 H LYS 10 H LYS 10 -9.813 -3.646 -3.409
75 HA LYS 10 HA LYS 10 -12.537 -4.234 -2.984
76 HB2 LYS 10 2HB LYS 10 -10.115 -4.103 -1.470
77 HB3 LYS 10 1HB LYS 10 -11.364 -3.306 -0.542
78 HG2 LYS 10 2HG LYS 10 -12.791 -5.252 -0.639
79 HG3 LYS 10 1HG LYS 10 -11.721 -6.028 -1.805
80 HD2 LYS 10 2HD LYS 10 -10.535 -6.917 -0.118
81 HD3 LYS 10 1HD LYS 10 -10.153 -5.296 0.462
82 HE2 LYS 10 2HE LYS 10 -12.870 -5.906 1.153
83 HE3 LYS 10 1HE LYS 10 -11.836 -7.227 1.693
84 HZ1 LYS 10 3HZ LYS 10 -10.370 -5.141 2.417
85 HZ2 LYS 10 1HZ LYS 10 -11.520 -5.861 3.434
86 HZ3 LYS 10 2HZ LYS 10 -11.918 -4.457 2.563
87 HA PRO 11 HA PRO 11 -14.479 -0.347 -2.157
88 HB2 PRO 11 2HB PRO 11 -15.654 -0.544 0.306
89 HB3 PRO 11 1HB PRO 11 -16.212 -1.396 -1.143
90 HG2 PRO 11 2HG PRO 11 -14.768 -2.476 1.222
91 HG3 PRO 11 1HG PRO 11 -15.816 -3.316 0.068
92 HD2 PRO 11 2HD PRO 11 -12.973 -3.352 0.113
93 HD3 PRO 11 1HD PRO 11 -14.022 -4.011 -1.157
94 HA PRO 12 HA PRO 12 -12.145 1.599 1.588
95 HB2 PRO 12 2HB PRO 12 -9.445 1.130 1.428
96 HB3 PRO 12 1HB PRO 12 -10.558 0.187 2.433
97 HG2 PRO 12 2HG PRO 12 -9.245 -0.587 -0.114
98 HG3 PRO 12 1HG PRO 12 -9.895 -1.615 1.167
99 HD2 PRO 12 2HD PRO 12 -11.103 -0.998 -1.317
100 HD3 PRO 12 1HD PRO 12 -11.863 -1.861 0.031
101 H THR 13 H THR 13 -10.050 3.277 1.381
102 HA THR 13 HA THR 13 -9.985 4.226 -1.448
103 HB THR 13 HB THR 13 -11.862 5.351 -0.205
104 HG1 THR 13 1HG THR 13 -11.176 6.617 -1.776
105 HG21 THR 13 3HG2 THR 13 -10.378 7.223 1.293
106 HG22 THR 13 1HG2 THR 13 -9.741 5.639 1.732
107 HG23 THR 13 2HG2 THR 13 -11.462 5.977 1.916
108 H THR 14 H THR 14 -8.795 6.716 -0.834
109 HA THR 14 HA THR 14 -6.045 5.854 -0.407
110 HB THR 14 HB THR 14 -5.551 8.306 -0.718
111 HG1 THR 14 1HG THR 14 -7.266 9.426 -0.165
112 HG21 THR 14 3HG2 THR 14 -5.372 7.323 -2.757
113 HG22 THR 14 1HG2 THR 14 -6.845 8.233 -3.089
114 HG23 THR 14 2HG2 THR 14 -6.944 6.533 -2.628
115 H GLU 15 H GLU 15 -4.694 7.431 1.026
116 HA GLU 15 HA GLU 15 -6.041 8.311 3.486
117 HB2 GLU 15 2HB GLU 15 -4.332 5.856 3.339
118 HB3 GLU 15 1HB GLU 15 -4.196 6.881 4.764
119 HG2 GLU 15 2HG GLU 15 -6.711 5.556 3.707
120 HG3 GLU 15 1HG GLU 15 -5.876 5.200 5.217
121 H THR 16 H THR 16 -4.595 9.658 4.777
122 HA THR 16 HA THR 16 -2.292 10.627 3.155
123 HB THR 16 HB THR 16 -3.223 12.052 5.607
124 HG1 THR 16 1HG THR 16 -4.651 13.087 3.787
125 HG21 THR 16 3HG2 THR 16 -1.558 12.552 3.335
126 HG22 THR 16 1HG2 THR 16 -1.843 13.586 4.735
127 HG23 THR 16 2HG2 THR 16 -2.890 13.707 3.323
128 H CYS 17 H CYS 17 -0.250 10.572 3.958
129 HA CYS 17 HA CYS 17 0.182 9.735 6.773
130 HB2 CYS 17 2HB CYS 17 1.697 8.420 4.516
131 HB3 CYS 17 1HB CYS 17 1.579 7.908 6.200
132 H GLN 18 H GLN 18 2.514 10.099 7.393
133 HA GLN 18 HA GLN 18 3.437 12.609 6.169
134 HB2 GLN 18 2HB GLN 18 3.501 12.282 8.617
135 HB3 GLN 18 1HB GLN 18 4.666 10.985 8.400
136 HG2 GLN 18 2HG GLN 18 5.770 13.180 8.881
137 HG3 GLN 18 1HG GLN 18 6.242 12.491 7.336
138 HE21 GLN 18 1HE2 GLN 18 5.191 13.398 5.356
139 HE22 GLN 18 2HE2 GLN 18 4.565 14.976 5.374
140 H GLU 19 H GLU 19 4.329 9.265 6.271
141 HA GLU 19 HA GLU 19 7.025 9.602 5.371
142 HB2 GLU 19 2HB GLU 19 5.799 7.192 4.266
143 HB3 GLU 19 1HB GLU 19 7.145 7.335 5.388
144 HG2 GLU 19 2HG GLU 19 4.197 7.443 6.105
145 HG3 GLU 19 1HG GLU 19 5.315 6.128 6.464
146 H ASP 20 H ASP 20 7.739 10.255 3.446
147 HA ASP 20 HA ASP 20 5.858 10.876 1.315
148 HB2 ASP 20 2HB ASP 20 8.382 11.018 0.147
149 HB3 ASP 20 1HB ASP 20 7.498 12.358 0.866
150 H SER 21 H SER 21 7.166 8.020 2.310
151 HA SER 21 HA SER 21 7.733 6.916 -0.327
152 HB2 SER 21 2HB SER 21 7.311 4.815 1.510
153 HB3 SER 21 1HB SER 21 8.859 5.447 0.969
154 HG SER 21 HG SER 21 9.061 6.504 2.789
155 H CYS 22 H CYS 22 6.434 4.846 -0.931
156 HA CYS 22 HA CYS 22 3.580 4.955 -0.093
157 HB2 CYS 22 2HB CYS 22 4.710 5.558 -2.803
158 HB3 CYS 22 1HB CYS 22 3.222 4.619 -2.725
159 H TYR 23 H TYR 23 3.149 2.773 0.386
160 HA TYR 23 HA TYR 23 4.798 0.841 -1.151
161 HB2 TYR 23 2HB TYR 23 4.928 -0.648 0.674
162 HB3 TYR 23 1HB TYR 23 5.326 0.931 1.306
163 HD1 TYR 23 2HD TYR 23 2.954 2.271 2.043
164 HD2 TYR 23 1HD TYR 23 3.707 -1.950 2.069
165 HE1 TYR 23 2HE TYR 23 1.198 1.967 3.754
166 HE2 TYR 23 1HE TYR 23 1.956 -2.254 3.792
167 HH TYR 23 HH TYR 23 0.074 0.525 5.002
168 H LYS 24 H LYS 24 3.994 -0.717 -2.175
169 HA LYS 24 HA LYS 24 1.041 -1.251 -1.965
170 HB2 LYS 24 2HB LYS 24 2.709 -0.555 -4.299
171 HB3 LYS 24 1HB LYS 24 1.651 -1.954 -4.533
172 HG2 LYS 24 2HG LYS 24 -0.046 -0.303 -3.253
173 HG3 LYS 24 1HG LYS 24 0.964 0.875 -4.081
174 HD2 LYS 24 2HD LYS 24 -0.498 -1.443 -5.367
175 HD3 LYS 24 1HD LYS 24 -0.904 0.266 -5.536
176 HE2 LYS 24 2HE LYS 24 0.363 -0.034 -7.450
177 HE3 LYS 24 1HE LYS 24 1.626 0.440 -6.316
178 HZ1 LYS 24 3HZ LYS 24 1.752 -1.760 -7.781
179 HZ2 LYS 24 1HZ LYS 24 0.971 -2.392 -6.415
180 HZ3 LYS 24 2HZ LYS 24 2.479 -1.629 -6.252
181 H ASN 25 H ASN 25 1.056 -3.178 -0.916
182 HA ASN 25 HA ASN 25 2.927 -5.292 -1.904
183 HB2 ASN 25 2HB ASN 25 2.237 -6.228 0.527
184 HB3 ASN 25 1HB ASN 25 3.567 -5.100 0.304
185 HD21 ASN 25 1HD2 ASN 25 2.710 -2.661 0.239
186 HD22 ASN 25 2HD2 ASN 25 1.556 -2.262 1.411
187 H ILE 26 H ILE 26 2.093 -7.537 -1.730
188 HA ILE 26 HA ILE 26 -0.812 -7.600 -2.405
189 HB ILE 26 HB ILE 26 -0.379 -9.488 -3.800
190 HG12 ILE 26 2HG1 ILE 26 1.321 -10.462 -2.110
191 HG13 ILE 26 1HG1 ILE 26 1.613 -10.758 -3.819
192 HG21 ILE 26 1HG2 ILE 26 1.279 -7.079 -4.061
193 HG22 ILE 26 2HG2 ILE 26 0.249 -7.873 -5.252
194 HG23 ILE 26 3HG2 ILE 26 1.887 -8.464 -4.970
195 HD11 ILE 26 3HD1 ILE 26 2.874 -8.289 -3.222
196 HD12 ILE 26 1HD1 ILE 26 3.647 -9.830 -3.585
197 HD13 ILE 26 2HD1 ILE 26 3.292 -9.393 -1.916
198 H TRP 27 H TRP 27 1.344 -8.415 0.015
199 HA TRP 27 HA TRP 27 0.260 -10.967 0.830
200 HB2 TRP 27 2HB TRP 27 1.597 -8.904 2.593
201 HB3 TRP 27 1HB TRP 27 1.542 -10.653 2.837
202 HD1 TRP 27 HD TRP 27 3.237 -7.964 0.737
203 HE1 TRP 27 1HE TRP 27 5.237 -9.007 -0.510
204 HE3 TRP 27 3HE TRP 27 2.507 -12.889 1.869
205 HZ2 TRP 27 2HZ TRP 27 6.378 -11.594 -0.964
206 HZ3 TRP 27 3HZ TRP 27 4.064 -14.620 1.019
207 HH2 TRP 27 HH TRP 27 5.997 -13.978 -0.395
208 H THR 28 H THR 28 -1.963 -10.963 1.115
209 HA THR 28 HA THR 28 -2.976 -9.432 3.413
210 HB THR 28 HB THR 28 -3.205 -8.059 1.202
211 HG1 THR 28 1HG THR 28 -5.604 -7.785 1.994
212 HG21 THR 28 3HG2 THR 28 -5.641 -9.821 0.895
213 HG22 THR 28 1HG2 THR 28 -4.154 -10.103 -0.013
214 HG23 THR 28 2HG2 THR 28 -5.036 -8.589 -0.212
215 H PHE 29 H PHE 29 -5.511 -10.004 3.545
216 HA PHE 29 HA PHE 29 -5.664 -12.959 3.126
217 HB2 PHE 29 2HB PHE 29 -6.946 -11.123 5.160
218 HB3 PHE 29 1HB PHE 29 -7.493 -12.781 4.911
219 HD1 PHE 29 1HD PHE 29 -5.293 -14.457 4.619
220 HD2 PHE 29 2HD PHE 29 -5.523 -10.877 6.983
221 HE1 PHE 29 1HE PHE 29 -3.451 -15.287 6.057
222 HE2 PHE 29 2HE PHE 29 -3.681 -11.708 8.420
223 HZ PHE 29 HZ PHE 29 -2.646 -13.914 7.957
224 H ASP 30 H ASP 30 -8.101 -10.371 3.549
225 HA ASP 30 HA ASP 30 -9.993 -11.645 1.803
226 HB2 ASP 30 2HB ASP 30 -9.749 -8.958 3.101
227 HB3 ASP 30 1HB ASP 30 -10.913 -9.148 1.788
228 H ASN 31 H ASN 31 -8.852 -8.352 1.156
229 HA ASN 31 HA ASN 31 -9.082 -8.627 -1.671
230 HB2 ASN 31 2HB ASN 31 -8.684 -6.523 0.009
231 HB3 ASN 31 1HB ASN 31 -7.065 -6.700 -0.670
232 HD21 ASN 31 1HD2 ASN 31 -10.271 -7.267 -2.213
233 HD22 ASN 31 2HD2 ASN 31 -10.027 -6.155 -3.473
234 H ILE 32 H ILE 32 -6.419 -7.476 -2.341
235 HA ILE 32 HA ILE 32 -4.650 -9.831 -1.884
236 HB ILE 32 HB ILE 32 -4.885 -8.576 -4.608
237 HG12 ILE 32 2HG1 ILE 32 -7.144 -9.372 -3.945
238 HG13 ILE 32 1HG1 ILE 32 -6.457 -10.358 -5.237
239 HG21 ILE 32 1HG2 ILE 32 -3.824 -10.591 -5.335
240 HG22 ILE 32 2HG2 ILE 32 -4.128 -11.386 -3.790
241 HG23 ILE 32 3HG2 ILE 32 -2.953 -10.076 -3.891
242 HD11 ILE 32 3HD1 ILE 32 -7.416 -11.266 -2.753
243 HD12 ILE 32 1HD1 ILE 32 -5.660 -11.381 -2.647
244 HD13 ILE 32 2HD1 ILE 32 -6.519 -12.203 -3.948
245 H ILE 33 H ILE 33 -4.684 -6.748 -3.707
246 HA ILE 33 HA ILE 33 -1.899 -6.237 -2.891
247 HB ILE 33 HB ILE 33 -3.456 -4.121 -4.271
248 HG12 ILE 33 2HG1 ILE 33 -4.401 -6.051 -5.374
249 HG13 ILE 33 1HG1 ILE 33 -3.205 -5.345 -6.456
250 HG21 ILE 33 1HG2 ILE 33 -0.941 -4.187 -3.759
251 HG22 ILE 33 2HG2 ILE 33 -1.404 -3.776 -5.410
252 HG23 ILE 33 3HG2 ILE 33 -0.830 -5.400 -5.035
253 HD11 ILE 33 3HD1 ILE 33 -1.700 -7.084 -6.156
254 HD12 ILE 33 1HD1 ILE 33 -3.223 -7.957 -5.987
255 HD13 ILE 33 2HD1 ILE 33 -2.316 -7.482 -4.553
256 H ARG 34 H ARG 34 -1.287 -4.259 -1.794
257 HA ARG 34 HA ARG 34 -3.487 -2.895 -0.359
258 HB2 ARG 34 2HB ARG 34 -2.548 -4.705 1.122
259 HB3 ARG 34 1HB ARG 34 -1.022 -3.813 1.105
260 HG2 ARG 34 2HG ARG 34 -1.942 -1.962 2.218
261 HG3 ARG 34 1HG ARG 34 -3.583 -2.387 1.767
262 HD2 ARG 34 2HD ARG 34 -3.769 -3.299 3.825
263 HD3 ARG 34 1HD ARG 34 -2.745 -4.598 3.215
264 HE ARG 34 HE ARG 34 -1.523 -2.186 4.486
265 HH11 ARG 34 1HH1 ARG 34 -0.254 -4.854 3.367
266 HH12 ARG 34 2HH1 ARG 34 0.192 -5.598 4.866
267 HH21 ARG 34 1HH2 ARG 34 -1.724 -3.453 6.804
268 HH22 ARG 34 2HH2 ARG 34 -0.641 -4.804 6.812
269 H ARG 35 H ARG 35 -3.241 -0.939 -1.069
270 HA ARG 35 HA ARG 35 -0.594 0.250 -1.561
271 HB2 ARG 35 2HB ARG 35 -3.369 1.419 -1.821
272 HB3 ARG 35 1HB ARG 35 -1.905 2.148 -2.425
273 HG2 ARG 35 2HG ARG 35 -2.311 1.046 -4.360
274 HG3 ARG 35 1HG ARG 35 -1.852 -0.422 -3.496
275 HD2 ARG 35 2HD ARG 35 -4.013 -1.125 -3.262
276 HD3 ARG 35 1HD ARG 35 -4.633 0.513 -3.062
277 HE ARG 35 HE ARG 35 -5.302 0.149 -5.309
278 HH11 ARG 35 1HH2 ARG 35 -2.632 -1.833 -4.916
279 HH12 ARG 35 2HH2 ARG 35 -1.993 -1.590 -6.508
280 HH21 ARG 35 1HH1 ARG 35 -4.224 0.941 -7.306
281 HH22 ARG 35 2HH1 ARG 35 -2.896 -0.022 -7.862
282 H GLY 36 H GLY 36 0.291 1.831 -0.216
283 HA2 GLY 36 2HA GLY 36 -1.301 3.116 1.871
284 HA3 GLY 36 1HA GLY 36 -0.141 1.955 2.482
285 H CYS 37 H CYS 37 0.944 3.817 3.505
286 HA CYS 37 HA CYS 37 2.662 5.291 1.548
287 HB2 CYS 37 2HB CYS 37 2.221 6.633 4.139
288 HB3 CYS 37 1HB CYS 37 2.244 7.312 2.516
289 H GLY 38 H GLY 38 4.831 5.043 1.959
290 HA2 GLY 38 2HA GLY 38 6.785 4.686 3.269
291 HA3 GLY 38 1HA GLY 38 5.755 4.477 4.690
292 H CYS 39 H CYS 39 7.920 2.691 3.537
293 HA CYS 39 HA CYS 39 6.665 0.398 2.365
294 HB2 CYS 39 2HB CYS 39 9.064 0.313 4.174
295 HB3 CYS 39 1HB CYS 39 8.669 -0.804 2.883
296 H PHE 40 H PHE 40 5.964 -1.565 3.397
297 HA PHE 40 HA PHE 40 4.470 -1.122 5.799
298 HB2 PHE 40 2HB PHE 40 4.211 -3.660 5.764
299 HB3 PHE 40 1HB PHE 40 3.655 -2.800 4.340
300 HD1 PHE 40 2HD PHE 40 7.222 -2.783 4.542
301 HD2 PHE 40 1HD PHE 40 3.869 -5.188 3.360
302 HE1 PHE 40 2HE PHE 40 8.712 -4.157 3.147
303 HE2 PHE 40 1HE PHE 40 5.374 -6.574 1.962
304 HZ PHE 40 HZ PHE 40 7.800 -6.065 1.864
305 H THR 41 H THR 41 4.726 -2.654 7.761
306 HA THR 41 HA THR 41 7.307 -2.082 8.924
307 HB THR 41 HB THR 41 5.361 -3.919 10.249
308 HG1 THR 41 1HG THR 41 3.860 -2.499 9.942
309 HG21 THR 41 3HG2 THR 41 6.103 -1.873 11.948
310 HG22 THR 41 1HG2 THR 41 7.542 -2.095 10.952
311 HG23 THR 41 2HG2 THR 41 6.878 -3.455 11.858
312 HA PRO 42 HA PRO 42 7.903 -6.791 8.930
313 HB2 PRO 42 2HB PRO 42 6.148 -8.313 7.455
314 HB3 PRO 42 1HB PRO 42 5.899 -7.902 9.161
315 HG2 PRO 42 2HG PRO 42 4.501 -6.848 6.766
316 HG3 PRO 42 1HG PRO 42 3.972 -6.865 8.456
317 HD2 PRO 42 2HD PRO 42 5.068 -4.654 7.010
318 HD3 PRO 42 1HD PRO 42 4.665 -4.691 8.738
319 H ARG 43 H ARG 43 8.894 -4.945 7.077
320 HA ARG 43 HA ARG 43 8.826 -5.957 4.373
321 HB2 ARG 43 2HB ARG 43 10.765 -4.442 4.007
322 HB3 ARG 43 1HB ARG 43 9.428 -3.633 4.812
323 HG2 ARG 43 2HG ARG 43 10.677 -4.407 7.005
324 HG3 ARG 43 1HG ARG 43 12.074 -4.478 5.930
325 HD2 ARG 43 2HD ARG 43 10.821 -2.059 5.290
326 HD3 ARG 43 1HD ARG 43 10.735 -2.150 7.049
327 HE ARG 43 HE ARG 43 13.205 -1.976 5.445
328 HH11 ARG 43 1HH1 ARG 43 11.925 -0.829 8.196
329 HH12 ARG 43 2HH1 ARG 43 13.212 -1.290 9.259
330 HH21 ARG 43 1HH2 ARG 43 14.765 -3.329 6.925
331 HH22 ARG 43 2HH2 ARG 43 14.819 -2.705 8.540
332 H GLY 44 H GLY 44 11.162 -6.404 3.365
333 HA2 GLY 44 2HA GLY 44 13.308 -7.564 4.481
334 HA3 GLY 44 1HA GLY 44 12.098 -8.821 4.721
335 H ASP 45 H ASP 45 13.442 -10.160 3.252
336 HA ASP 45 HA ASP 45 13.457 -9.306 0.415
337 HB2 ASP 45 2HB ASP 45 15.112 -10.985 2.030
338 HB3 ASP 45 1HB ASP 45 14.416 -11.982 0.752
339 H MET 46 H MET 46 11.857 -11.555 2.577
340 HA MET 46 HA MET 46 10.707 -13.357 0.766
341 HB2 MET 46 2HB MET 46 10.288 -12.607 3.471
342 HB3 MET 46 1HB MET 46 8.712 -12.590 2.678
343 HG2 MET 46 2HG MET 46 8.926 -14.858 1.977
344 HG3 MET 46 1HG MET 46 10.648 -14.889 2.360
345 HE1 MET 46 3HE MET 46 7.215 -15.935 3.545
346 HE2 MET 46 1HE MET 46 7.961 -17.004 4.740
347 HE3 MET 46 2HE MET 46 8.566 -16.969 3.086
348 HA PRO 47 HA PRO 47 7.213 -10.217 -0.046
349 HB2 PRO 47 2HB PRO 47 7.491 -7.706 1.026
350 HB3 PRO 47 1HB PRO 47 6.698 -9.047 1.867
351 HG2 PRO 47 2HG PRO 47 9.367 -7.838 2.375
352 HG3 PRO 47 1HG PRO 47 8.320 -8.749 3.476
353 HD2 PRO 47 2HD PRO 47 10.618 -9.736 2.112
354 HD3 PRO 47 1HD PRO 47 9.448 -10.699 3.035
355 H GLY 48 H GLY 48 6.972 -8.458 -1.648
356 HA2 GLY 48 2HA GLY 48 9.387 -7.073 -2.533
357 HA3 GLY 48 1HA GLY 48 8.764 -8.272 -3.666
358 HA PRO 49 HA PRO 49 5.214 -5.085 -3.249
359 HB2 PRO 49 2HB PRO 49 5.540 -3.071 -1.406
360 HB3 PRO 49 1HB PRO 49 4.790 -4.627 -1.027
361 HG2 PRO 49 2HG PRO 49 7.512 -3.643 -0.332
362 HG3 PRO 49 1HG PRO 49 6.463 -4.778 0.519
363 HD2 PRO 49 2HD PRO 49 8.658 -5.506 -1.071
364 HD3 PRO 49 1HD PRO 49 7.348 -6.596 -0.568
365 H TYR 50 H TYR 50 5.213 -2.317 -3.109
366 HA TYR 50 HA TYR 50 7.596 -1.511 -4.709
367 HB2 TYR 50 2HB TYR 50 5.017 -1.851 -5.725
368 HB3 TYR 50 1HB TYR 50 5.153 -0.112 -5.464
369 HD1 TYR 50 1HD TYR 50 6.988 -3.019 -6.946
370 HD2 TYR 50 2HD TYR 50 6.334 1.226 -6.988
371 HE1 TYR 50 1HE TYR 50 8.404 -2.820 -8.972
372 HE2 TYR 50 2HE TYR 50 7.751 1.425 -9.013
373 HH TYR 50 HH TYR 50 9.056 -1.451 -10.631
374 H CYS 51 H CYS 51 8.440 -0.428 -2.811
375 HA CYS 51 HA CYS 51 6.806 1.614 -1.466
376 HB2 CYS 51 2HB CYS 51 9.201 0.295 -0.848
377 HB3 CYS 51 1HB CYS 51 9.645 1.977 -1.162
378 H CYS 52 H CYS 52 6.391 3.450 -2.614
379 HA CYS 52 HA CYS 52 8.449 4.461 -4.532
380 HB2 CYS 52 2HB CYS 52 6.348 4.059 -5.642
381 HB3 CYS 52 1HB CYS 52 5.458 4.898 -4.380
382 H GLU 53 H GLU 53 8.589 6.890 -4.587
383 HA GLU 53 HA GLU 53 8.115 7.967 -1.839
384 HB2 GLU 53 2HB GLU 53 10.242 9.043 -3.681
385 HB3 GLU 53 1HB GLU 53 10.145 9.133 -1.920
386 HG2 GLU 53 2HG GLU 53 10.642 6.793 -1.688
387 HG3 GLU 53 1HG GLU 53 10.477 6.527 -3.423
388 H SER 54 H SER 54 5.965 8.332 -3.264
389 HA SER 54 HA SER 54 5.979 11.207 -3.854
390 HB2 SER 54 2HB SER 54 6.510 10.427 -6.057
391 HB3 SER 54 1HB SER 54 5.306 9.149 -5.961
392 HG SER 54 HG SER 54 5.019 11.688 -6.750
393 H ASP 55 H ASP 55 3.753 11.992 -4.174
394 HA ASP 55 HA ASP 55 1.978 10.757 -2.261
395 HB2 ASP 55 2HB ASP 55 1.739 13.065 -2.340
396 HB3 ASP 55 1HB ASP 55 1.794 13.122 -4.099
397 H LYS 56 H LYS 56 -0.064 9.814 -2.656
398 HA LYS 56 HA LYS 56 -1.321 8.132 -3.767
399 HB2 LYS 56 2HB LYS 56 -1.144 10.479 -5.652
400 HB3 LYS 56 1HB LYS 56 -2.095 9.055 -6.064
401 HG2 LYS 56 2HG LYS 56 -3.213 9.332 -3.769
402 HG3 LYS 56 1HG LYS 56 -2.466 10.929 -3.722
403 HD2 LYS 56 2HD LYS 56 -3.547 10.980 -6.213
404 HD3 LYS 56 1HD LYS 56 -4.711 9.944 -5.385
405 HE2 LYS 56 2HE LYS 56 -5.425 11.623 -3.993
406 HE3 LYS 56 1HE LYS 56 -3.839 12.393 -3.938
407 HZ1 LYS 56 3HZ LYS 56 -4.609 12.621 -6.543
408 HZ2 LYS 56 1HZ LYS 56 -4.671 13.848 -5.375
409 HZ3 LYS 56 2HZ LYS 56 -6.046 12.899 -5.682
410 H CYS 57 H CYS 57 1.618 7.806 -4.050
411 HA CYS 57 HA CYS 57 2.183 7.199 -6.818
412 HB2 CYS 57 2HB CYS 57 3.757 7.598 -4.679
413 HB3 CYS 57 1HB CYS 57 3.757 5.833 -4.705
414 H ASN 58 H ASN 58 0.839 5.205 -4.187
415 HA ASN 58 HA ASN 58 1.390 2.626 -5.019
416 HB2 ASN 58 2HB ASN 58 -1.514 3.095 -4.656
417 HB3 ASN 58 1HB ASN 58 -0.463 1.930 -3.865
418 HD21 ASN 58 1HD2 ASN 58 0.502 2.518 -1.861
419 HD22 ASN 58 2HD2 ASN 58 0.093 3.965 -1.057
420 H LEU 59 H LEU 59 -0.621 4.977 -6.668
421 HA LEU 59 HA LEU 59 -0.721 3.081 -8.941
422 HB2 LEU 59 2HB LEU 59 -3.102 4.095 -9.351
423 HB3 LEU 59 1HB LEU 59 -2.910 2.799 -8.171
424 HG LEU 59 HG LEU 59 -2.415 5.400 -6.966
425 HD11 LEU 59 1HD1 LEU 59 -5.203 5.504 -7.189
426 HD12 LEU 59 2HD1 LEU 59 -4.640 5.192 -8.832
427 HD13 LEU 59 3HD1 LEU 59 -4.052 6.601 -7.950
428 HD21 LEU 59 3HD2 LEU 59 -4.761 4.048 -6.001
429 HD22 LEU 59 1HD2 LEU 59 -3.179 4.179 -5.232
430 HD23 LEU 59 2HD2 LEU 59 -3.514 2.847 -6.339
Start of MODEL 11
1 H1 ARG 1 1HT ARG 1 3.401 11.158 2.433
2 H2 ARG 1 2HT ARG 1 3.058 11.659 4.019
3 H3 ARG 1 3HT ARG 1 4.195 12.507 3.087
4 HA ARG 1 HA ARG 1 2.003 13.624 3.290
5 HB2 ARG 1 2HB ARG 1 1.901 14.209 0.899
6 HB3 ARG 1 1HB ARG 1 3.579 14.095 1.427
7 HG2 ARG 1 2HG ARG 1 2.183 11.710 0.217
8 HG3 ARG 1 1HG ARG 1 2.921 12.940 -0.805
9 HD2 ARG 1 2HD ARG 1 4.697 12.161 1.349
10 HD3 ARG 1 1HD ARG 1 4.222 10.768 0.386
11 HE ARG 1 HE ARG 1 5.795 11.602 -1.153
12 HH11 ARG 1 1HH1 ARG 1 5.878 14.083 0.884
13 HH12 ARG 1 2HH1 ARG 1 5.801 15.365 -0.278
14 HH21 ARG 1 1HH2 ARG 1 4.896 13.287 -2.901
15 HH22 ARG 1 2HH2 ARG 1 5.246 14.914 -2.420
16 H ILE 2 H ILE 2 0.609 12.831 0.509
17 HA ILE 2 HA ILE 2 -1.335 11.045 1.868
18 HB ILE 2 HB ILE 2 -1.641 12.354 -0.838
19 HG12 ILE 2 2HG1 ILE 2 -3.022 13.559 1.456
20 HG13 ILE 2 1HG1 ILE 2 -1.264 13.678 1.528
21 HG21 ILE 2 1HG2 ILE 2 -3.815 11.634 1.119
22 HG22 ILE 2 2HG2 ILE 2 -3.134 10.402 0.056
23 HG23 ILE 2 3HG2 ILE 2 -3.920 11.824 -0.631
24 HD11 ILE 2 3HD1 ILE 2 -2.468 14.271 -1.111
25 HD12 ILE 2 1HD1 ILE 2 -1.144 15.080 -0.272
26 HD13 ILE 2 2HD1 ILE 2 -2.816 15.442 0.161
27 H CYS 3 H CYS 3 -1.621 8.968 1.258
28 HA CYS 3 HA CYS 3 -0.419 8.167 -1.329
29 HB2 CYS 3 2HB CYS 3 -0.139 6.644 1.285
30 HB3 CYS 3 1HB CYS 3 0.351 6.022 -0.289
31 H TYR 4 H TYR 4 -1.297 5.813 -1.881
32 HA TYR 4 HA TYR 4 -4.195 6.052 -1.721
33 HB2 TYR 4 2HB TYR 4 -2.267 4.278 -3.121
34 HB3 TYR 4 1HB TYR 4 -3.837 3.576 -2.760
35 HD1 TYR 4 2HD TYR 4 -2.301 6.684 -4.194
36 HD2 TYR 4 1HD TYR 4 -5.642 3.988 -4.183
37 HE1 TYR 4 2HE TYR 4 -3.296 7.900 -6.114
38 HE2 TYR 4 1HE TYR 4 -6.629 5.202 -6.099
39 HH TYR 4 HH TYR 4 -6.317 6.794 -7.625
40 H ASN 5 H ASN 5 -5.590 4.738 -0.550
41 HA ASN 5 HA ASN 5 -4.325 3.059 1.553
42 HB2 ASN 5 2HB ASN 5 -5.420 4.825 2.674
43 HB3 ASN 5 1HB ASN 5 -6.785 4.800 1.559
44 HD21 ASN 5 1HD2 ASN 5 -5.368 1.858 2.953
45 HD22 ASN 5 2HD2 ASN 5 -6.722 1.443 3.885
46 H HIS 6 H HIS 6 -6.736 3.266 -0.971
47 HA HIS 6 HA HIS 6 -8.341 1.071 -0.363
48 HB2 HIS 6 2HB HIS 6 -9.241 1.526 -2.369
49 HB3 HIS 6 1HB HIS 6 -8.000 2.755 -2.560
50 HD1 HIS 6 1HD HIS 6 -6.010 2.205 -4.130
51 HD2 HIS 6 2HD HIS 6 -8.783 -0.884 -3.828
52 HE1 HIS 6 1HE HIS 6 -5.487 0.588 -6.002
53 H LEU 7 H LEU 7 -8.007 -1.001 -0.105
54 HA LEU 7 HA LEU 7 -5.429 -2.193 -1.018
55 HB2 LEU 7 2HB LEU 7 -5.960 -3.954 0.682
56 HB3 LEU 7 1HB LEU 7 -5.863 -2.346 1.397
57 HG LEU 7 HG LEU 7 -8.538 -2.702 0.510
58 HD11 LEU 7 1HD1 LEU 7 -7.310 -5.191 1.241
59 HD12 LEU 7 2HD1 LEU 7 -8.989 -4.883 0.801
60 HD13 LEU 7 3HD1 LEU 7 -8.481 -4.748 2.483
61 HD21 LEU 7 3HD2 LEU 7 -7.477 -1.420 2.497
62 HD22 LEU 7 1HD2 LEU 7 -7.575 -2.955 3.360
63 HD23 LEU 7 2HD2 LEU 7 -9.044 -2.184 2.762
64 H GLY 8 H GLY 8 -5.656 -4.528 -1.742
65 HA2 GLY 8 2HA GLY 8 -6.603 -5.450 -3.888
66 HA3 GLY 8 1HA GLY 8 -7.264 -6.300 -2.504
67 H THR 9 H THR 9 -9.275 -5.249 -1.544
68 HA THR 9 HA THR 9 -11.389 -5.307 -3.334
69 HB THR 9 HB THR 9 -11.816 -3.259 -1.292
70 HG1 THR 9 1HG THR 9 -10.885 -4.186 0.331
71 HG21 THR 9 3HG2 THR 9 -12.914 -6.053 -1.266
72 HG22 THR 9 1HG2 THR 9 -13.416 -4.930 -2.530
73 HG23 THR 9 2HG2 THR 9 -13.712 -4.540 -0.835
74 H LYS 10 H LYS 10 -12.094 -3.980 -4.883
75 HA LYS 10 HA LYS 10 -10.589 -1.601 -5.546
76 HB2 LYS 10 2HB LYS 10 -11.450 -3.220 -7.230
77 HB3 LYS 10 1HB LYS 10 -13.079 -2.646 -6.879
78 HG2 LYS 10 2HG LYS 10 -11.122 -0.506 -7.428
79 HG3 LYS 10 1HG LYS 10 -11.449 -1.568 -8.797
80 HD2 LYS 10 2HD LYS 10 -13.597 -0.214 -7.140
81 HD3 LYS 10 1HD LYS 10 -13.003 0.391 -8.687
82 HE2 LYS 10 2HE LYS 10 -13.554 -2.208 -9.325
83 HE3 LYS 10 1HE LYS 10 -14.802 -1.882 -8.123
84 HZ1 LYS 10 3HZ LYS 10 -14.238 -0.098 -10.423
85 HZ2 LYS 10 1HZ LYS 10 -15.556 -0.020 -9.357
86 HZ3 LYS 10 2HZ LYS 10 -15.423 -1.314 -10.450
87 HA PRO 11 HA PRO 11 -14.726 0.478 -4.356
88 HB2 PRO 11 2HB PRO 11 -15.718 -0.305 -1.919
89 HB3 PRO 11 1HB PRO 11 -16.262 -0.921 -3.489
90 HG2 PRO 11 2HG PRO 11 -14.548 -2.242 -1.452
91 HG3 PRO 11 1HG PRO 11 -15.558 -2.969 -2.712
92 HD2 PRO 11 2HD PRO 11 -12.753 -2.651 -2.786
93 HD3 PRO 11 1HD PRO 11 -13.765 -3.138 -4.146
94 HA PRO 12 HA PRO 12 -12.673 2.185 -0.366
95 HB2 PRO 12 2HB PRO 12 -10.029 1.514 -0.082
96 HB3 PRO 12 1HB PRO 12 -11.356 0.658 0.715
97 HG2 PRO 12 2HG PRO 12 -9.731 -0.190 -1.640
98 HG3 PRO 12 1HG PRO 12 -10.568 -1.184 -0.438
99 HD2 PRO 12 2HD PRO 12 -11.488 -0.644 -3.034
100 HD3 PRO 12 1HD PRO 12 -12.476 -1.288 -1.721
101 H THR 13 H THR 13 -10.579 3.803 -0.205
102 HA THR 13 HA THR 13 -9.849 4.671 -2.968
103 HB THR 13 HB THR 13 -11.953 5.835 -2.163
104 HG1 THR 13 1HG THR 13 -11.036 7.065 -3.616
105 HG21 THR 13 3HG2 THR 13 -11.744 7.471 -0.398
106 HG22 THR 13 1HG2 THR 13 -10.010 7.178 -0.269
107 HG23 THR 13 2HG2 THR 13 -11.153 5.930 0.225
108 H THR 14 H THR 14 -8.816 7.188 -2.139
109 HA THR 14 HA THR 14 -6.329 6.298 -0.821
110 HB THR 14 HB THR 14 -5.518 8.597 -1.544
111 HG1 THR 14 1HG THR 14 -7.905 9.168 -1.833
112 HG21 THR 14 3HG2 THR 14 -5.648 6.209 -2.844
113 HG22 THR 14 1HG2 THR 14 -4.777 7.623 -3.433
114 HG23 THR 14 2HG2 THR 14 -6.407 7.283 -4.017
115 H GLU 15 H GLU 15 -5.292 7.822 0.676
116 HA GLU 15 HA GLU 15 -7.024 9.665 2.171
117 HB2 GLU 15 2HB GLU 15 -6.744 8.532 4.319
118 HB3 GLU 15 1HB GLU 15 -7.513 7.423 3.183
119 HG2 GLU 15 2HG GLU 15 -5.854 6.047 4.032
120 HG3 GLU 15 1HG GLU 15 -5.003 6.751 2.658
121 H THR 16 H THR 16 -5.643 10.788 3.898
122 HA THR 16 HA THR 16 -2.919 11.101 2.785
123 HB THR 16 HB THR 16 -3.961 12.695 5.109
124 HG1 THR 16 1HG THR 16 -4.659 14.081 3.145
125 HG21 THR 16 3HG2 THR 16 -1.961 13.655 4.666
126 HG22 THR 16 1HG2 THR 16 -2.743 14.341 3.241
127 HG23 THR 16 2HG2 THR 16 -1.829 12.838 3.108
128 H CYS 17 H CYS 17 -1.034 10.852 4.075
129 HA CYS 17 HA CYS 17 -1.417 9.577 6.736
130 HB2 CYS 17 2HB CYS 17 -1.066 7.995 4.618
131 HB3 CYS 17 1HB CYS 17 0.621 8.414 4.908
132 H GLN 18 H GLN 18 1.050 9.097 7.547
133 HA GLN 18 HA GLN 18 2.337 11.757 7.459
134 HB2 GLN 18 2HB GLN 18 1.970 10.843 9.660
135 HB3 GLN 18 1HB GLN 18 2.772 9.347 9.225
136 HG2 GLN 18 2HG GLN 18 4.120 11.184 10.542
137 HG3 GLN 18 1HG GLN 18 4.895 10.310 9.229
138 HE21 GLN 18 1HE2 GLN 18 2.521 13.013 9.007
139 HE22 GLN 18 2HE2 GLN 18 3.551 14.041 8.130
140 H GLU 19 H GLU 19 3.173 8.355 6.965
141 HA GLU 19 HA GLU 19 5.930 8.872 6.389
142 HB2 GLU 19 2HB GLU 19 4.840 6.619 4.870
143 HB3 GLU 19 1HB GLU 19 6.150 6.655 6.040
144 HG2 GLU 19 2HG GLU 19 3.185 6.525 6.653
145 HG3 GLU 19 1HG GLU 19 4.393 5.277 6.961
146 H ASP 20 H ASP 20 6.786 9.870 4.721
147 HA ASP 20 HA ASP 20 5.223 10.895 2.552
148 HB2 ASP 20 2HB ASP 20 7.938 10.748 1.680
149 HB3 ASP 20 1HB ASP 20 7.048 12.169 2.212
150 H SER 21 H SER 21 6.660 7.859 3.135
151 HA SER 21 HA SER 21 6.826 7.133 0.313
152 HB2 SER 21 2HB SER 21 6.842 4.796 1.884
153 HB3 SER 21 1HB SER 21 8.241 5.609 1.198
154 HG SER 21 HG SER 21 8.549 5.555 3.383
155 H CYS 22 H CYS 22 5.554 5.066 -0.344
156 HA CYS 22 HA CYS 22 2.887 4.964 0.974
157 HB2 CYS 22 2HB CYS 22 3.221 4.965 -2.038
158 HB3 CYS 22 1HB CYS 22 1.722 5.065 -1.119
159 H TYR 23 H TYR 23 2.669 2.816 1.555
160 HA TYR 23 HA TYR 23 4.275 0.880 -0.006
161 HB2 TYR 23 2HB TYR 23 4.118 -0.641 1.804
162 HB3 TYR 23 1HB TYR 23 4.401 0.925 2.542
163 HD1 TYR 23 1HD TYR 23 1.593 -1.309 1.478
164 HD2 TYR 23 2HD TYR 23 2.981 1.626 4.277
165 HE1 TYR 23 1HE TYR 23 -0.469 -1.620 2.805
166 HE2 TYR 23 2HE TYR 23 0.909 1.330 5.606
167 HH TYR 23 HH TYR 23 -1.048 0.301 5.763
168 H LYS 24 H LYS 24 3.422 -0.628 -1.237
169 HA LYS 24 HA LYS 24 0.546 -1.251 -1.039
170 HB2 LYS 24 2HB LYS 24 0.367 0.390 -2.678
171 HB3 LYS 24 1HB LYS 24 1.915 -0.006 -3.393
172 HG2 LYS 24 2HG LYS 24 0.490 -2.352 -3.723
173 HG3 LYS 24 1HG LYS 24 -0.733 -1.102 -3.961
174 HD2 LYS 24 2HD LYS 24 1.858 -0.527 -5.231
175 HD3 LYS 24 1HD LYS 24 1.011 -1.923 -5.898
176 HE2 LYS 24 2HE LYS 24 -0.958 0.048 -5.518
177 HE3 LYS 24 1HE LYS 24 0.422 0.887 -6.220
178 HZ1 LYS 24 3HZ LYS 24 0.127 -1.556 -7.543
179 HZ2 LYS 24 1HZ LYS 24 -0.083 0.006 -8.171
180 HZ3 LYS 24 2HZ LYS 24 -1.402 -0.819 -7.490
181 H ASN 25 H ASN 25 0.908 -3.301 -0.415
182 HA ASN 25 HA ASN 25 2.646 -4.964 -2.198
183 HB2 ASN 25 2HB ASN 25 2.869 -6.356 0.001
184 HB3 ASN 25 1HB ASN 25 3.819 -4.893 -0.192
185 HD21 ASN 25 1HD2 ASN 25 2.576 -2.814 0.633
186 HD22 ASN 25 2HD2 ASN 25 1.784 -3.009 2.121
187 H ILE 26 H ILE 26 2.150 -7.358 -1.935
188 HA ILE 26 HA ILE 26 -0.747 -7.761 -2.334
189 HB ILE 26 HB ILE 26 -0.127 -9.883 -3.276
190 HG12 ILE 26 2HG1 ILE 26 2.559 -10.262 -3.112
191 HG13 ILE 26 1HG1 ILE 26 2.257 -9.488 -1.557
192 HG21 ILE 26 1HG2 ILE 26 2.229 -8.817 -4.421
193 HG22 ILE 26 2HG2 ILE 26 1.189 -7.438 -4.064
194 HG23 ILE 26 3HG2 ILE 26 0.595 -8.750 -5.083
195 HD11 ILE 26 3HD1 ILE 26 0.310 -11.582 -2.310
196 HD12 ILE 26 1HD1 ILE 26 1.077 -11.265 -0.755
197 HD13 ILE 26 2HD1 ILE 26 1.947 -12.160 -2.002
198 H TRP 27 H TRP 27 1.677 -8.274 0.075
199 HA TRP 27 HA TRP 27 0.428 -10.470 1.468
200 HB2 TRP 27 2HB TRP 27 2.062 -8.323 2.798
201 HB3 TRP 27 1HB TRP 27 1.982 -10.041 3.192
202 HD1 TRP 27 HD TRP 27 3.860 -7.572 1.107
203 HE1 TRP 27 1HE TRP 27 5.617 -8.790 -0.335
204 HE3 TRP 27 3HE TRP 27 2.388 -12.412 1.821
205 HZ2 TRP 27 2HZ TRP 27 6.307 -11.462 -1.086
206 HZ3 TRP 27 3HZ TRP 27 3.613 -14.271 0.730
207 HH2 TRP 27 HH TRP 27 5.567 -13.803 -0.721
208 H THR 28 H THR 28 -1.358 -10.410 2.779
209 HA THR 28 HA THR 28 -2.067 -7.949 4.199
210 HB THR 28 HB THR 28 -2.935 -7.699 1.832
211 HG1 THR 28 1HG THR 28 -3.923 -6.966 4.021
212 HG21 THR 28 3HG2 THR 28 -4.145 -9.353 0.910
213 HG22 THR 28 1HG2 THR 28 -5.292 -9.303 2.248
214 HG23 THR 28 2HG2 THR 28 -3.857 -10.323 2.355
215 H PHE 29 H PHE 29 -4.607 -8.479 4.978
216 HA PHE 29 HA PHE 29 -4.254 -10.911 6.599
217 HB2 PHE 29 2HB PHE 29 -6.210 -8.620 6.595
218 HB3 PHE 29 1HB PHE 29 -6.548 -10.084 7.517
219 HD1 PHE 29 1HD PHE 29 -4.521 -10.965 8.994
220 HD2 PHE 29 2HD PHE 29 -4.978 -6.922 7.618
221 HE1 PHE 29 1HE PHE 29 -3.011 -10.181 10.797
222 HE2 PHE 29 2HE PHE 29 -3.469 -6.136 9.421
223 HZ PHE 29 HZ PHE 29 -2.486 -7.766 11.011
224 H ASP 30 H ASP 30 -7.351 -9.800 5.293
225 HA ASP 30 HA ASP 30 -7.704 -12.528 4.121
226 HB2 ASP 30 2HB ASP 30 -9.761 -10.550 5.155
227 HB3 ASP 30 1HB ASP 30 -10.148 -12.095 4.394
228 H ASN 31 H ASN 31 -6.911 -9.517 3.158
229 HA ASN 31 HA ASN 31 -8.637 -9.572 0.725
230 HB2 ASN 31 2HB ASN 31 -8.227 -7.467 2.294
231 HB3 ASN 31 1HB ASN 31 -6.765 -7.311 1.319
232 HD21 ASN 31 1HD2 ASN 31 -10.212 -8.171 0.613
233 HD22 ASN 31 2HD2 ASN 31 -10.355 -7.104 -0.701
234 H ILE 32 H ILE 32 -6.330 -7.785 -0.457
235 HA ILE 32 HA ILE 32 -4.352 -9.937 -0.934
236 HB ILE 32 HB ILE 32 -5.741 -10.396 -2.755
237 HG12 ILE 32 2HG1 ILE 32 -4.590 -9.435 -4.768
238 HG13 ILE 32 1HG1 ILE 32 -3.717 -8.356 -3.683
239 HG21 ILE 32 1HG2 ILE 32 -7.202 -8.986 -3.758
240 HG22 ILE 32 2HG2 ILE 32 -6.067 -7.640 -3.764
241 HG23 ILE 32 3HG2 ILE 32 -6.948 -8.046 -2.291
242 HD11 ILE 32 3HD1 ILE 32 -2.211 -10.118 -3.834
243 HD12 ILE 32 1HD1 ILE 32 -3.486 -11.327 -3.980
244 HD13 ILE 32 2HD1 ILE 32 -3.139 -10.597 -2.412
245 H ILE 33 H ILE 33 -4.948 -6.824 -2.601
246 HA ILE 33 HA ILE 33 -2.131 -6.100 -2.076
247 HB ILE 33 HB ILE 33 -4.085 -4.358 -3.553
248 HG12 ILE 33 2HG1 ILE 33 -4.338 -6.745 -4.327
249 HG13 ILE 33 1HG1 ILE 33 -3.785 -5.630 -5.573
250 HG21 ILE 33 1HG2 ILE 33 -2.046 -3.896 -4.895
251 HG22 ILE 33 2HG2 ILE 33 -1.143 -4.999 -3.856
252 HG23 ILE 33 3HG2 ILE 33 -1.830 -3.520 -3.186
253 HD11 ILE 33 3HD1 ILE 33 -2.517 -7.852 -5.400
254 HD12 ILE 33 1HD1 ILE 33 -1.856 -7.232 -3.887
255 HD13 ILE 33 2HD1 ILE 33 -1.535 -6.388 -5.402
256 H ARG 34 H ARG 34 -1.573 -4.042 -1.038
257 HA ARG 34 HA ARG 34 -3.852 -2.622 0.209
258 HB2 ARG 34 2HB ARG 34 -3.061 -4.410 1.819
259 HB3 ARG 34 1HB ARG 34 -1.564 -3.480 1.956
260 HG2 ARG 34 2HG ARG 34 -2.758 -1.535 2.726
261 HG3 ARG 34 1HG ARG 34 -4.304 -2.275 2.368
262 HD2 ARG 34 2HD ARG 34 -4.035 -2.520 4.710
263 HD3 ARG 34 1HD ARG 34 -3.656 -4.103 4.032
264 HE ARG 34 HE ARG 34 -1.195 -2.866 4.140
265 HH11 ARG 34 1HH2 ARG 34 -3.545 -4.159 6.238
266 HH12 ARG 34 2HH2 ARG 34 -2.629 -3.883 7.682
267 HH21 ARG 34 1HH1 ARG 34 -0.092 -2.164 6.062
268 HH22 ARG 34 2HH1 ARG 34 -0.676 -2.754 7.583
269 H ARG 35 H ARG 35 -3.499 -0.662 -0.550
270 HA ARG 35 HA ARG 35 -0.779 0.446 -0.772
271 HB2 ARG 35 2HB ARG 35 -3.429 1.786 -1.367
272 HB3 ARG 35 1HB ARG 35 -1.838 2.313 -1.897
273 HG2 ARG 35 2HG ARG 35 -1.661 0.662 -3.494
274 HG3 ARG 35 1HG ARG 35 -2.638 -0.477 -2.573
275 HD2 ARG 35 2HD ARG 35 -4.525 0.155 -3.627
276 HD3 ARG 35 1HD ARG 35 -4.176 1.864 -3.374
277 HE ARG 35 HE ARG 35 -3.201 1.943 -5.534
278 HH11 ARG 35 1HH1 ARG 35 -2.572 -1.178 -4.431
279 HH12 ARG 35 2HH1 ARG 35 -2.728 -1.937 -5.977
280 HH21 ARG 35 1HH2 ARG 35 -3.910 0.903 -7.562
281 HH22 ARG 35 2HH2 ARG 35 -3.482 -0.764 -7.744
282 H GLY 36 H GLY 36 0.114 1.625 0.824
283 HA2 GLY 36 2HA GLY 36 -1.646 3.038 2.758
284 HA3 GLY 36 1HA GLY 36 -0.424 1.932 3.368
285 H CYS 37 H CYS 37 0.664 3.667 4.420
286 HA CYS 37 HA CYS 37 2.096 5.516 2.549
287 HB2 CYS 37 2HB CYS 37 2.260 7.033 4.569
288 HB3 CYS 37 1HB CYS 37 0.634 6.817 3.921
289 H GLY 38 H GLY 38 4.120 4.605 2.334
290 HA2 GLY 38 2HA GLY 38 6.318 4.688 3.632
291 HA3 GLY 38 1HA GLY 38 5.476 3.717 4.836
292 H CYS 39 H CYS 39 6.951 1.993 4.501
293 HA CYS 39 HA CYS 39 6.654 0.629 1.870
294 HB2 CYS 39 2HB CYS 39 8.789 0.309 3.999
295 HB3 CYS 39 1HB CYS 39 8.658 -0.714 2.572
296 H PHE 40 H PHE 40 7.003 -1.882 2.309
297 HA PHE 40 HA PHE 40 4.628 -2.700 3.782
298 HB2 PHE 40 2HB PHE 40 5.999 -5.046 3.214
299 HB3 PHE 40 1HB PHE 40 4.802 -4.290 2.165
300 HD1 PHE 40 2HD PHE 40 5.474 -2.873 0.303
301 HD2 PHE 40 1HD PHE 40 8.372 -4.849 2.773
302 HE1 PHE 40 2HE PHE 40 7.232 -2.344 -1.359
303 HE2 PHE 40 1HE PHE 40 10.143 -4.313 1.122
304 HZ PHE 40 HZ PHE 40 9.582 -3.061 -0.952
305 H THR 41 H THR 41 5.132 -4.907 5.161
306 HA THR 41 HA THR 41 6.776 -3.876 7.377
307 HB THR 41 HB THR 41 5.156 -6.409 7.478
308 HG1 THR 41 1HG THR 41 4.359 -3.709 7.690
309 HG21 THR 41 3HG2 THR 41 5.697 -4.371 9.628
310 HG22 THR 41 1HG2 THR 41 6.836 -5.671 9.279
311 HG23 THR 41 2HG2 THR 41 5.200 -6.053 9.812
312 HA PRO 42 HA PRO 42 9.014 -7.964 6.718
313 HB2 PRO 42 2HB PRO 42 8.254 -9.598 4.641
314 HB3 PRO 42 1HB PRO 42 7.523 -9.663 6.253
315 HG2 PRO 42 2HG PRO 42 6.352 -8.664 3.734
316 HG3 PRO 42 1HG PRO 42 5.540 -9.107 5.243
317 HD2 PRO 42 2HD PRO 42 6.217 -6.468 4.285
318 HD3 PRO 42 1HD PRO 42 5.341 -6.881 5.772
319 H ARG 43 H ARG 43 9.658 -5.537 5.470
320 HA ARG 43 HA ARG 43 10.336 -5.602 2.739
321 HB2 ARG 43 2HB ARG 43 12.366 -4.153 3.551
322 HB3 ARG 43 1HB ARG 43 10.731 -3.536 3.752
323 HG2 ARG 43 2HG ARG 43 11.461 -5.204 6.001
324 HG3 ARG 43 1HG ARG 43 12.648 -3.920 5.774
325 HD2 ARG 43 2HD ARG 43 10.750 -2.277 5.658
326 HD3 ARG 43 1HD ARG 43 9.651 -3.590 6.078
327 HE ARG 43 HE ARG 43 11.547 -3.682 8.084
328 HH11 ARG 43 1HH2 ARG 43 8.671 -2.166 7.500
329 HH12 ARG 43 2HH2 ARG 43 8.908 -0.850 8.600
330 HH21 ARG 43 1HH1 ARG 43 12.249 -1.580 9.170
331 HH22 ARG 43 2HH1 ARG 43 10.933 -0.518 9.546
332 H GLY 44 H GLY 44 12.201 -6.295 1.616
333 HA2 GLY 44 2HA GLY 44 14.593 -7.259 2.486
334 HA3 GLY 44 1HA GLY 44 13.508 -8.611 2.791
335 H ASP 45 H ASP 45 15.266 -9.387 1.060
336 HA ASP 45 HA ASP 45 14.442 -8.653 -1.685
337 HB2 ASP 45 2HB ASP 45 16.354 -10.100 -2.366
338 HB3 ASP 45 1HB ASP 45 16.840 -8.815 -1.258
339 H MET 46 H MET 46 13.175 -10.656 0.537
340 HA MET 46 HA MET 46 12.933 -13.043 -1.156
341 HB2 MET 46 2HB MET 46 12.592 -12.476 1.618
342 HB3 MET 46 1HB MET 46 11.069 -13.116 0.999
343 HG2 MET 46 2HG MET 46 12.441 -14.985 1.707
344 HG3 MET 46 1HG MET 46 12.363 -14.995 -0.055
345 HE1 MET 46 3HE MET 46 15.885 -16.180 1.470
346 HE2 MET 46 1HE MET 46 14.802 -16.659 0.156
347 HE3 MET 46 2HE MET 46 14.176 -16.463 1.790
348 HA PRO 47 HA PRO 47 8.462 -11.494 -1.485
349 HB2 PRO 47 2HB PRO 47 7.764 -9.206 -0.137
350 HB3 PRO 47 1HB PRO 47 7.694 -10.819 0.586
351 HG2 PRO 47 2HG PRO 47 9.642 -8.630 1.089
352 HG3 PRO 47 1HG PRO 47 9.189 -9.990 2.130
353 HD2 PRO 47 2HD PRO 47 11.537 -9.774 0.522
354 HD3 PRO 47 1HD PRO 47 10.993 -11.202 1.418
355 H GLY 48 H GLY 48 7.390 -9.789 -2.859
356 HA2 GLY 48 2HA GLY 48 9.275 -7.717 -3.820
357 HA3 GLY 48 1HA GLY 48 8.477 -8.769 -4.981
358 HA PRO 49 HA PRO 49 4.911 -6.215 -3.152
359 HB2 PRO 49 2HB PRO 49 5.438 -4.643 -0.966
360 HB3 PRO 49 1HB PRO 49 4.894 -6.324 -0.864
361 HG2 PRO 49 2HG PRO 49 7.589 -5.199 -0.343
362 HG3 PRO 49 1HG PRO 49 6.869 -6.690 0.261
363 HD2 PRO 49 2HD PRO 49 8.761 -6.476 -1.843
364 HD3 PRO 49 1HD PRO 49 7.824 -7.907 -1.396
365 H TYR 50 H TYR 50 4.587 -3.534 -2.499
366 HA TYR 50 HA TYR 50 6.558 -2.151 -4.270
367 HB2 TYR 50 2HB TYR 50 3.810 -2.658 -4.795
368 HB3 TYR 50 1HB TYR 50 3.993 -0.923 -4.533
369 HD1 TYR 50 1HD TYR 50 5.932 -3.689 -6.182
370 HD2 TYR 50 2HD TYR 50 4.453 0.336 -6.431
371 HE1 TYR 50 1HE TYR 50 6.947 -3.457 -8.434
372 HE2 TYR 50 2HE TYR 50 5.468 0.570 -8.682
373 HH TYR 50 HH TYR 50 7.362 -0.491 -9.961
374 H CYS 51 H CYS 51 7.588 -0.703 -3.007
375 HA CYS 51 HA CYS 51 5.954 1.058 -1.173
376 HB2 CYS 51 2HB CYS 51 7.654 -0.288 0.073
377 HB3 CYS 51 1HB CYS 51 8.911 0.342 -0.986
378 H CYS 52 H CYS 52 6.772 3.323 -1.203
379 HA CYS 52 HA CYS 52 8.638 4.098 -3.319
380 HB2 CYS 52 2HB CYS 52 6.716 3.677 -4.720
381 HB3 CYS 52 1HB CYS 52 5.677 4.610 -3.654
382 H GLU 53 H GLU 53 8.869 6.469 -3.408
383 HA GLU 53 HA GLU 53 7.955 7.727 -0.871
384 HB2 GLU 53 2HB GLU 53 10.532 8.400 -2.273
385 HB3 GLU 53 1HB GLU 53 10.013 8.862 -0.647
386 HG2 GLU 53 2HG GLU 53 10.157 6.610 0.146
387 HG3 GLU 53 1HG GLU 53 10.366 5.980 -1.489
388 H SER 54 H SER 54 6.213 8.066 -2.719
389 HA SER 54 HA SER 54 6.542 10.893 -3.542
390 HB2 SER 54 2HB SER 54 5.237 9.107 -5.528
391 HB3 SER 54 1HB SER 54 6.208 10.551 -5.793
392 HG SER 54 HG SER 54 7.996 9.150 -4.968
393 H ASP 55 H ASP 55 4.335 11.842 -4.033
394 HA ASP 55 HA ASP 55 2.443 10.882 -2.081
395 HB2 ASP 55 2HB ASP 55 2.410 13.209 -2.562
396 HB3 ASP 55 1HB ASP 55 2.178 12.935 -4.286
397 H LYS 56 H LYS 56 0.511 9.864 -2.383
398 HA LYS 56 HA LYS 56 -0.714 8.039 -3.308
399 HB2 LYS 56 2HB LYS 56 -1.923 8.720 -5.302
400 HB3 LYS 56 1HB LYS 56 -1.751 10.122 -4.251
401 HG2 LYS 56 2HG LYS 56 0.127 10.935 -5.570
402 HG3 LYS 56 1HG LYS 56 0.098 9.484 -6.567
403 HD2 LYS 56 2HD LYS 56 -1.777 10.139 -7.727
404 HD3 LYS 56 1HD LYS 56 -2.438 11.036 -6.360
405 HE2 LYS 56 2HE LYS 56 -0.207 12.498 -6.841
406 HE3 LYS 56 1HE LYS 56 -0.556 11.926 -8.473
407 HZ1 LYS 56 3HZ LYS 56 -2.805 12.919 -6.907
408 HZ2 LYS 56 1HZ LYS 56 -2.486 13.072 -8.566
409 HZ3 LYS 56 2HZ LYS 56 -1.686 14.075 -7.453
410 H CYS 57 H CYS 57 2.100 7.641 -3.583
411 HA CYS 57 HA CYS 57 2.783 6.964 -6.312
412 HB2 CYS 57 2HB CYS 57 4.242 7.429 -4.117
413 HB3 CYS 57 1HB CYS 57 4.206 5.668 -4.046
414 H ASN 58 H ASN 58 0.961 5.204 -3.918
415 HA ASN 58 HA ASN 58 1.691 2.627 -5.079
416 HB2 ASN 58 2HB ASN 58 -0.396 1.992 -3.494
417 HB3 ASN 58 1HB ASN 58 1.256 2.134 -2.907
418 HD21 ASN 58 1HD2 ASN 58 0.202 2.685 -0.792
419 HD22 ASN 58 2HD2 ASN 58 -0.328 4.277 -0.519
420 H LEU 59 H LEU 59 0.288 4.667 -6.767
421 HA LEU 59 HA LEU 59 -2.030 2.929 -7.492
422 HB2 LEU 59 2HB LEU 59 -2.543 5.274 -6.513
423 HB3 LEU 59 1HB LEU 59 -1.977 5.890 -8.063
424 HG LEU 59 HG LEU 59 -4.378 5.604 -8.202
425 HD11 LEU 59 1HD1 LEU 59 -3.267 3.168 -9.581
426 HD12 LEU 59 2HD1 LEU 59 -2.819 4.792 -10.101
427 HD13 LEU 59 3HD1 LEU 59 -4.507 4.286 -10.149
428 HD21 LEU 59 3HD2 LEU 59 -5.528 3.847 -7.301
429 HD22 LEU 59 1HD2 LEU 59 -4.061 3.636 -6.344
430 HD23 LEU 59 2HD2 LEU 59 -4.313 2.673 -7.799
Start of MODEL 12
1 H1 ARG 1 1HT ARG 1 4.041 11.973 3.262
2 H2 ARG 1 2HT ARG 1 3.301 10.691 2.426
3 H3 ARG 1 3HT ARG 1 2.556 11.355 3.801
4 HA ARG 1 HA ARG 1 2.224 13.447 2.667
5 HB2 ARG 1 2HB ARG 1 2.906 13.779 0.414
6 HB3 ARG 1 1HB ARG 1 4.295 13.040 1.206
7 HG2 ARG 1 2HG ARG 1 2.581 10.954 0.219
8 HG3 ARG 1 1HG ARG 1 2.895 12.090 -1.082
9 HD2 ARG 1 2HD ARG 1 5.048 10.923 0.657
10 HD3 ARG 1 1HD ARG 1 4.576 10.221 -0.873
11 HE ARG 1 HE ARG 1 5.987 11.806 -1.836
12 HH11 ARG 1 1HH1 ARG 1 4.068 14.072 -1.154
13 HH12 ARG 1 2HH1 ARG 1 5.121 15.148 -0.301
14 HH21 ARG 1 1HH2 ARG 1 7.585 12.770 0.207
15 HH22 ARG 1 2HH2 ARG 1 7.105 14.413 0.470
16 H ILE 2 H ILE 2 1.195 12.767 -0.164
17 HA ILE 2 HA ILE 2 -1.298 11.518 0.805
18 HB ILE 2 HB ILE 2 -0.511 12.708 -1.866
19 HG12 ILE 2 2HG1 ILE 2 -2.611 14.124 -0.970
20 HG13 ILE 2 1HG1 ILE 2 -1.970 13.554 0.571
21 HG21 ILE 2 1HG2 ILE 2 -3.204 11.605 -0.992
22 HG22 ILE 2 2HG2 ILE 2 -2.106 10.783 -2.102
23 HG23 ILE 2 3HG2 ILE 2 -2.825 12.328 -2.556
24 HD11 ILE 2 3HD1 ILE 2 -0.325 15.086 0.487
25 HD12 ILE 2 1HD1 ILE 2 -0.994 15.699 -1.025
26 HD13 ILE 2 2HD1 ILE 2 0.222 14.424 -1.054
27 H CYS 3 H CYS 3 -1.418 9.324 0.807
28 HA CYS 3 HA CYS 3 -0.205 7.980 -1.547
29 HB2 CYS 3 2HB CYS 3 -0.339 6.844 1.259
30 HB3 CYS 3 1HB CYS 3 0.339 6.038 -0.148
31 H TYR 4 H TYR 4 -1.281 5.863 -2.074
32 HA TYR 4 HA TYR 4 -4.169 6.261 -1.933
33 HB2 TYR 4 2HB TYR 4 -2.340 4.462 -3.443
34 HB3 TYR 4 1HB TYR 4 -4.002 3.920 -3.205
35 HD1 TYR 4 2HD TYR 4 -2.235 7.137 -3.966
36 HD2 TYR 4 1HD TYR 4 -5.498 4.507 -4.891
37 HE1 TYR 4 2HE TYR 4 -2.998 8.707 -5.722
38 HE2 TYR 4 1HE TYR 4 -6.264 6.078 -6.650
39 HH TYR 4 HH TYR 4 -4.625 9.195 -7.167
40 H ASN 5 H ASN 5 -5.638 5.000 -0.871
41 HA ASN 5 HA ASN 5 -4.539 3.057 1.110
42 HB2 ASN 5 2HB ASN 5 -5.546 4.761 2.375
43 HB3 ASN 5 1HB ASN 5 -6.828 5.010 1.192
44 HD21 ASN 5 1HD2 ASN 5 -5.665 2.027 2.859
45 HD22 ASN 5 2HD2 ASN 5 -7.193 1.594 3.454
46 H HIS 6 H HIS 6 -6.100 3.199 -1.797
47 HA HIS 6 HA HIS 6 -8.343 1.548 -1.622
48 HB2 HIS 6 2HB HIS 6 -7.947 2.406 -3.736
49 HB3 HIS 6 1HB HIS 6 -6.256 1.952 -3.732
50 HD1 HIS 6 1HD HIS 6 -9.680 0.266 -3.782
51 HD2 HIS 6 2HD HIS 6 -5.786 -0.427 -5.092
52 HE1 HIS 6 1HE HIS 6 -9.749 -1.868 -5.143
53 H LEU 7 H LEU 7 -8.689 -0.609 -1.505
54 HA LEU 7 HA LEU 7 -6.333 -2.299 -0.778
55 HB2 LEU 7 2HB LEU 7 -8.474 -3.807 -0.031
56 HB3 LEU 7 1HB LEU 7 -7.652 -2.676 1.041
57 HG LEU 7 HG LEU 7 -9.907 -1.770 -0.740
58 HD11 LEU 7 1HD1 LEU 7 -10.783 -3.635 0.586
59 HD12 LEU 7 2HD1 LEU 7 -11.410 -2.110 1.214
60 HD13 LEU 7 3HD1 LEU 7 -10.097 -2.936 2.053
61 HD21 LEU 7 3HD2 LEU 7 -9.618 0.192 0.344
62 HD22 LEU 7 1HD2 LEU 7 -8.111 -0.482 0.966
63 HD23 LEU 7 2HD2 LEU 7 -9.592 -0.605 1.917
64 H GLY 8 H GLY 8 -6.042 -4.288 -1.752
65 HA2 GLY 8 2HA GLY 8 -5.961 -5.146 -4.112
66 HA3 GLY 8 1HA GLY 8 -7.013 -6.154 -3.129
67 H THR 9 H THR 9 -9.244 -6.145 -3.546
68 HA THR 9 HA THR 9 -10.073 -4.563 -5.950
69 HB THR 9 HB THR 9 -11.648 -6.399 -6.440
70 HG1 THR 9 1HG THR 9 -10.698 -7.239 -3.966
71 HG21 THR 9 3HG2 THR 9 -9.241 -6.411 -7.255
72 HG22 THR 9 1HG2 THR 9 -10.025 -7.991 -7.204
73 HG23 THR 9 2HG2 THR 9 -8.886 -7.529 -5.938
74 H LYS 10 H LYS 10 -10.342 -3.226 -3.630
75 HA LYS 10 HA LYS 10 -13.249 -3.493 -2.940
76 HB2 LYS 10 2HB LYS 10 -10.969 -3.495 -1.268
77 HB3 LYS 10 1HB LYS 10 -11.720 -1.917 -1.050
78 HG2 LYS 10 2HG LYS 10 -12.938 -3.151 0.491
79 HG3 LYS 10 1HG LYS 10 -13.943 -3.383 -0.939
80 HD2 LYS 10 2HD LYS 10 -12.519 -5.467 -1.407
81 HD3 LYS 10 1HD LYS 10 -11.918 -5.289 0.242
82 HE2 LYS 10 2HE LYS 10 -14.877 -5.316 -0.342
83 HE3 LYS 10 1HE LYS 10 -13.978 -6.816 -0.123
84 HZ1 LYS 10 3HZ LYS 10 -14.664 -6.343 2.005
85 HZ2 LYS 10 1HZ LYS 10 -14.499 -4.665 1.815
86 HZ3 LYS 10 2HZ LYS 10 -13.118 -5.638 1.995
87 HA PRO 11 HA PRO 11 -13.732 0.717 -4.179
88 HB2 PRO 11 2HB PRO 11 -14.500 2.207 -1.986
89 HB3 PRO 11 1HB PRO 11 -15.580 1.113 -2.868
90 HG2 PRO 11 2HG PRO 11 -14.265 0.724 -0.218
91 HG3 PRO 11 1HG PRO 11 -15.779 0.039 -0.834
92 HD2 PRO 11 2HD PRO 11 -13.338 -1.316 -0.662
93 HD3 PRO 11 1HD PRO 11 -14.722 -1.837 -1.639
94 HA PRO 12 HA PRO 12 -9.590 2.047 -3.179
95 HB2 PRO 12 2HB PRO 12 -9.233 3.496 -5.491
96 HB3 PRO 12 1HB PRO 12 -9.035 1.741 -5.381
97 HG2 PRO 12 2HG PRO 12 -11.281 3.303 -6.564
98 HG3 PRO 12 1HG PRO 12 -10.699 1.682 -6.982
99 HD2 PRO 12 2HD PRO 12 -12.980 2.249 -5.430
100 HD3 PRO 12 1HD PRO 12 -12.161 0.675 -5.525
101 H THR 13 H THR 13 -9.015 3.726 -1.939
102 HA THR 13 HA THR 13 -10.046 6.440 -2.561
103 HB THR 13 HB THR 13 -11.462 6.488 -0.808
104 HG1 THR 13 1HG THR 13 -10.564 6.750 1.159
105 HG21 THR 13 3HG2 THR 13 -11.588 3.998 -1.051
106 HG22 THR 13 1HG2 THR 13 -11.871 4.553 0.599
107 HG23 THR 13 2HG2 THR 13 -10.311 3.857 0.159
108 H THR 14 H THR 14 -8.428 7.980 -2.200
109 HA THR 14 HA THR 14 -5.793 6.952 -1.594
110 HB THR 14 HB THR 14 -5.121 9.395 -1.647
111 HG1 THR 14 1HG THR 14 -6.905 10.676 -2.624
112 HG21 THR 14 3HG2 THR 14 -6.544 9.213 -4.149
113 HG22 THR 14 1HG2 THR 14 -5.900 7.633 -3.699
114 HG23 THR 14 2HG2 THR 14 -4.819 9.020 -3.833
115 H GLU 15 H GLU 15 -4.454 8.366 0.080
116 HA GLU 15 HA GLU 15 -6.014 8.995 2.499
117 HB2 GLU 15 2HB GLU 15 -4.524 6.470 2.145
118 HB3 GLU 15 1HB GLU 15 -4.155 7.338 3.635
119 HG2 GLU 15 2HG GLU 15 -6.907 6.513 2.669
120 HG3 GLU 15 1HG GLU 15 -6.028 5.829 4.036
121 H THR 16 H THR 16 -4.844 10.307 3.936
122 HA THR 16 HA THR 16 -2.165 11.154 2.918
123 HB THR 16 HB THR 16 -3.166 13.041 4.792
124 HG1 THR 16 1HG THR 16 -5.054 12.198 2.853
125 HG21 THR 16 3HG2 THR 16 -3.346 13.383 1.815
126 HG22 THR 16 1HG2 THR 16 -1.771 13.210 2.589
127 HG23 THR 16 2HG2 THR 16 -2.833 14.546 3.037
128 H CYS 17 H CYS 17 -0.465 10.700 4.234
129 HA CYS 17 HA CYS 17 -0.995 10.354 7.150
130 HB2 CYS 17 2HB CYS 17 0.899 8.533 5.671
131 HB3 CYS 17 1HB CYS 17 0.170 8.305 7.261
132 H GLN 18 H GLN 18 1.594 9.755 7.940
133 HA GLN 18 HA GLN 18 2.919 12.342 7.382
134 HB2 GLN 18 2HB GLN 18 2.663 11.576 9.726
135 HB3 GLN 18 1HB GLN 18 3.673 10.184 9.360
136 HG2 GLN 18 2HG GLN 18 4.955 12.110 10.359
137 HG3 GLN 18 1HG GLN 18 5.544 11.594 8.783
138 HE21 GLN 18 1HE2 GLN 18 4.916 12.931 6.878
139 HE22 GLN 18 2HE2 GLN 18 4.484 14.559 7.085
140 H GLU 19 H GLU 19 3.564 8.877 7.187
141 HA GLU 19 HA GLU 19 6.292 9.189 6.359
142 HB2 GLU 19 2HB GLU 19 5.127 6.878 5.076
143 HB3 GLU 19 1HB GLU 19 6.346 6.939 6.339
144 HG2 GLU 19 2HG GLU 19 3.349 7.103 6.789
145 HG3 GLU 19 1HG GLU 19 4.352 5.684 7.082
146 H ASP 20 H ASP 20 7.017 10.031 4.502
147 HA ASP 20 HA ASP 20 5.152 10.752 2.416
148 HB2 ASP 20 2HB ASP 20 7.752 10.788 1.274
149 HB3 ASP 20 1HB ASP 20 6.791 12.159 1.804
150 H SER 21 H SER 21 6.614 7.866 3.250
151 HA SER 21 HA SER 21 6.921 6.833 0.543
152 HB2 SER 21 2HB SER 21 6.671 4.768 2.521
153 HB3 SER 21 1HB SER 21 8.104 5.246 1.615
154 HG SER 21 HG SER 21 8.782 5.984 3.459
155 H CYS 22 H CYS 22 5.489 5.146 -0.304
156 HA CYS 22 HA CYS 22 2.828 5.037 1.045
157 HB2 CYS 22 2HB CYS 22 3.203 5.133 -1.956
158 HB3 CYS 22 1HB CYS 22 1.691 5.212 -1.073
159 H TYR 23 H TYR 23 2.451 2.892 1.498
160 HA TYR 23 HA TYR 23 4.165 0.984 0.025
161 HB2 TYR 23 2HB TYR 23 3.923 -0.525 1.848
162 HB3 TYR 23 1HB TYR 23 4.204 1.060 2.547
163 HD1 TYR 23 1HD TYR 23 1.374 -1.149 1.467
164 HD2 TYR 23 2HD TYR 23 2.774 1.810 4.241
165 HE1 TYR 23 1HE TYR 23 -0.723 -1.378 2.755
166 HE2 TYR 23 2HE TYR 23 0.669 1.586 5.532
167 HH TYR 23 HH TYR 23 -1.439 0.754 5.487
168 H LYS 24 H LYS 24 3.431 -0.701 -1.041
169 HA LYS 24 HA LYS 24 0.520 -1.288 -1.115
170 HB2 LYS 24 2HB LYS 24 1.831 0.132 -3.159
171 HB3 LYS 24 1HB LYS 24 1.672 -1.521 -3.751
172 HG2 LYS 24 2HG LYS 24 -0.763 -1.264 -2.719
173 HG3 LYS 24 1HG LYS 24 -0.445 0.436 -3.053
174 HD2 LYS 24 2HD LYS 24 -0.502 -1.870 -4.997
175 HD3 LYS 24 1HD LYS 24 -1.431 -0.374 -5.053
176 HE2 LYS 24 2HE LYS 24 1.102 0.615 -5.085
177 HE3 LYS 24 1HE LYS 24 1.341 -0.907 -5.939
178 HZ1 LYS 24 3HZ LYS 24 -1.023 0.500 -6.760
179 HZ2 LYS 24 1HZ LYS 24 0.218 -0.173 -7.700
180 HZ3 LYS 24 2HZ LYS 24 0.403 1.381 -7.041
181 H ASN 25 H ASN 25 0.762 -3.327 -0.213
182 HA ASN 25 HA ASN 25 2.677 -5.126 -1.658
183 HB2 ASN 25 2HB ASN 25 2.598 -6.370 0.666
184 HB3 ASN 25 1HB ASN 25 3.670 -5.000 0.427
185 HD21 ASN 25 1HD2 ASN 25 2.450 -2.772 0.895
186 HD22 ASN 25 2HD2 ASN 25 1.553 -2.769 2.332
187 H ILE 26 H ILE 26 2.092 -7.408 -1.646
188 HA ILE 26 HA ILE 26 -0.850 -7.754 -1.851
189 HB ILE 26 HB ILE 26 -0.449 -9.515 -3.359
190 HG12 ILE 26 2HG1 ILE 26 1.235 -10.666 -1.851
191 HG13 ILE 26 1HG1 ILE 26 1.603 -10.749 -3.571
192 HG21 ILE 26 1HG2 ILE 26 0.329 -8.162 -4.965
193 HG22 ILE 26 2HG2 ILE 26 1.969 -8.315 -4.337
194 HG23 ILE 26 3HG2 ILE 26 0.901 -7.055 -3.717
195 HD11 ILE 26 3HD1 ILE 26 3.663 -10.141 -2.624
196 HD12 ILE 26 1HD1 ILE 26 2.912 -9.067 -1.446
197 HD13 ILE 26 2HD1 ILE 26 3.001 -8.592 -3.141
198 H TRP 27 H TRP 27 1.842 -8.626 0.106
199 HA TRP 27 HA TRP 27 0.820 -11.116 1.143
200 HB2 TRP 27 2HB TRP 27 2.650 -9.155 2.551
201 HB3 TRP 27 1HB TRP 27 2.509 -10.887 2.853
202 HD1 TRP 27 HD TRP 27 4.201 -8.381 0.634
203 HE1 TRP 27 1HE TRP 27 5.715 -9.600 -1.060
204 HE3 TRP 27 3HE TRP 27 2.692 -13.199 1.407
205 HZ2 TRP 27 2HZ TRP 27 6.223 -12.268 -1.963
206 HZ3 TRP 27 3HZ TRP 27 3.706 -15.057 0.121
207 HH2 TRP 27 HH TRP 27 5.467 -14.600 -1.562
208 H THR 28 H THR 28 -1.233 -11.068 1.989
209 HA THR 28 HA THR 28 -1.639 -9.560 4.461
210 HB THR 28 HB THR 28 -2.259 -8.118 2.305
211 HG1 THR 28 1HG THR 28 -3.976 -8.353 4.547
212 HG21 THR 28 3HG2 THR 28 -3.823 -10.038 1.563
213 HG22 THR 28 1HG2 THR 28 -4.454 -8.393 1.499
214 HG23 THR 28 2HG2 THR 28 -4.905 -9.459 2.829
215 H PHE 29 H PHE 29 -3.890 -10.128 5.381
216 HA PHE 29 HA PHE 29 -4.416 -12.982 4.728
217 HB2 PHE 29 2HB PHE 29 -4.551 -11.330 7.167
218 HB3 PHE 29 1HB PHE 29 -5.911 -12.435 6.965
219 HD1 PHE 29 2HD PHE 29 -5.091 -14.852 5.953
220 HD2 PHE 29 1HD PHE 29 -2.751 -12.179 8.369
221 HE1 PHE 29 2HE PHE 29 -3.656 -16.747 6.658
222 HE2 PHE 29 1HE PHE 29 -1.316 -14.073 9.074
223 HZ PHE 29 HZ PHE 29 -1.767 -16.358 8.217
224 H ASP 30 H ASP 30 -6.517 -10.339 5.925
225 HA ASP 30 HA ASP 30 -8.912 -11.337 4.840
226 HB2 ASP 30 2HB ASP 30 -7.971 -8.555 5.507
227 HB3 ASP 30 1HB ASP 30 -9.557 -8.808 4.778
228 H ASN 31 H ASN 31 -7.917 -8.286 3.430
229 HA ASN 31 HA ASN 31 -8.790 -9.107 0.805
230 HB2 ASN 31 2HB ASN 31 -7.034 -6.723 1.426
231 HB3 ASN 31 1HB ASN 31 -8.187 -6.904 0.103
232 HD21 ASN 31 1HD2 ASN 31 -10.551 -7.079 0.774
233 HD22 ASN 31 2HD2 ASN 31 -11.050 -6.278 2.186
234 H ILE 32 H ILE 32 -6.460 -7.676 -0.531
235 HA ILE 32 HA ILE 32 -4.373 -9.786 -0.236
236 HB ILE 32 HB ILE 32 -5.166 -8.769 -2.950
237 HG12 ILE 32 2HG1 ILE 32 -7.197 -9.699 -1.759
238 HG13 ILE 32 1HG1 ILE 32 -6.735 -10.588 -3.211
239 HG21 ILE 32 1HG2 ILE 32 -3.048 -10.014 -2.666
240 HG22 ILE 32 2HG2 ILE 32 -4.197 -10.924 -3.646
241 HG23 ILE 32 3HG2 ILE 32 -3.941 -11.360 -1.957
242 HD11 ILE 32 3HD1 ILE 32 -5.455 -11.495 -0.698
243 HD12 ILE 32 1HD1 ILE 32 -6.104 -12.442 -2.036
244 HD13 ILE 32 2HD1 ILE 32 -7.191 -11.782 -0.814
245 H ILE 33 H ILE 33 -4.926 -6.978 -2.380
246 HA ILE 33 HA ILE 33 -2.167 -6.066 -1.817
247 HB ILE 33 HB ILE 33 -3.988 -4.451 -3.529
248 HG12 ILE 33 2HG1 ILE 33 -4.675 -6.659 -4.176
249 HG13 ILE 33 1HG1 ILE 33 -3.599 -6.045 -5.432
250 HG21 ILE 33 1HG2 ILE 33 -1.855 -4.597 -4.970
251 HG22 ILE 33 2HG2 ILE 33 -1.113 -5.361 -3.564
252 HG23 ILE 33 3HG2 ILE 33 -1.743 -3.718 -3.446
253 HD11 ILE 33 3HD1 ILE 33 -2.713 -8.172 -5.088
254 HD12 ILE 33 1HD1 ILE 33 -3.095 -8.163 -3.367
255 HD13 ILE 33 2HD1 ILE 33 -1.737 -7.215 -3.974
256 H ARG 34 H ARG 34 -1.719 -4.079 -0.821
257 HA ARG 34 HA ARG 34 -4.048 -2.476 0.043
258 HB2 ARG 34 2HB ARG 34 -3.484 -4.194 1.837
259 HB3 ARG 34 1HB ARG 34 -1.997 -3.273 2.091
260 HG2 ARG 34 2HG ARG 34 -3.154 -1.348 2.765
261 HG3 ARG 34 1HG ARG 34 -4.650 -1.869 2.013
262 HD2 ARG 34 2HD ARG 34 -5.077 -3.474 3.708
263 HD3 ARG 34 1HD ARG 34 -3.422 -3.390 4.311
264 HE ARG 34 HE ARG 34 -4.027 -1.000 5.022
265 HH11 ARG 34 1HH2 ARG 34 -6.845 -1.726 3.723
266 HH12 ARG 34 2HH2 ARG 34 -7.786 -1.817 5.174
267 HH21 ARG 34 1HH1 ARG 34 -5.031 -1.873 7.276
268 HH22 ARG 34 2HH1 ARG 34 -6.761 -1.900 7.184
269 H ARG 35 H ARG 35 -3.575 -0.574 -0.701
270 HA ARG 35 HA ARG 35 -0.831 0.454 -0.851
271 HB2 ARG 35 2HB ARG 35 -3.359 1.983 -1.446
272 HB3 ARG 35 1HB ARG 35 -1.752 2.251 -2.103
273 HG2 ARG 35 2HG ARG 35 -2.100 0.768 -3.765
274 HG3 ARG 35 1HG ARG 35 -2.666 -0.458 -2.633
275 HD2 ARG 35 2HD ARG 35 -4.759 -0.130 -3.380
276 HD3 ARG 35 1HD ARG 35 -4.690 1.529 -2.786
277 HE ARG 35 HE ARG 35 -4.529 2.198 -5.032
278 HH11 ARG 35 1HH2 ARG 35 -3.712 -1.121 -4.667
279 HH12 ARG 35 2HH2 ARG 35 -3.173 -1.311 -6.302
280 HH21 ARG 35 1HH1 ARG 35 -3.649 2.021 -7.129
281 HH22 ARG 35 2HH1 ARG 35 -3.135 0.467 -7.694
282 H GLY 36 H GLY 36 0.039 1.783 0.719
283 HA2 GLY 36 2HA GLY 36 -1.787 3.275 2.509
284 HA3 GLY 36 1HA GLY 36 -0.704 2.117 3.267
285 H CYS 37 H CYS 37 0.159 4.063 4.380
286 HA CYS 37 HA CYS 37 1.994 5.647 2.628
287 HB2 CYS 37 2HB CYS 37 1.223 6.441 5.428
288 HB3 CYS 37 1HB CYS 37 1.776 7.463 4.102
289 H GLY 38 H GLY 38 3.997 4.804 2.727
290 HA2 GLY 38 2HA GLY 38 6.014 4.786 4.282
291 HA3 GLY 38 1HA GLY 38 5.017 3.778 5.333
292 H CYS 39 H CYS 39 6.569 2.056 5.074
293 HA CYS 39 HA CYS 39 6.401 0.741 2.389
294 HB2 CYS 39 2HB CYS 39 8.592 0.466 4.466
295 HB3 CYS 39 1HB CYS 39 8.516 -0.416 2.945
296 H PHE 40 H PHE 40 6.610 -1.698 2.587
297 HA PHE 40 HA PHE 40 4.495 -2.666 4.290
298 HB2 PHE 40 2HB PHE 40 5.808 -4.961 3.568
299 HB3 PHE 40 1HB PHE 40 4.597 -4.162 2.570
300 HD1 PHE 40 1HD PHE 40 8.182 -4.766 3.081
301 HD2 PHE 40 2HD PHE 40 5.235 -2.773 0.683
302 HE1 PHE 40 1HE PHE 40 9.904 -4.296 1.358
303 HE2 PHE 40 2HE PHE 40 6.945 -2.302 -1.048
304 HZ PHE 40 HZ PHE 40 9.291 -3.060 -0.712
305 H THR 41 H THR 41 5.128 -4.835 5.593
306 HA THR 41 HA THR 41 6.979 -3.851 7.657
307 HB THR 41 HB THR 41 5.492 -6.427 7.941
308 HG1 THR 41 1HG THR 41 3.775 -5.296 7.439
309 HG21 THR 41 3HG2 THR 41 5.329 -5.510 10.277
310 HG22 THR 41 1HG2 THR 41 6.334 -4.160 9.749
311 HG23 THR 41 2HG2 THR 41 6.978 -5.802 9.721
312 HA PRO 42 HA PRO 42 9.105 -7.947 6.763
313 HB2 PRO 42 2HB PRO 42 8.131 -9.572 4.769
314 HB3 PRO 42 1HB PRO 42 7.569 -9.636 6.449
315 HG2 PRO 42 2HG PRO 42 6.154 -8.618 4.063
316 HG3 PRO 42 1HG PRO 42 5.495 -9.064 5.645
317 HD2 PRO 42 2HD PRO 42 6.082 -6.425 4.633
318 HD3 PRO 42 1HD PRO 42 5.371 -6.841 6.207
319 H ARG 43 H ARG 43 9.480 -5.481 5.373
320 HA ARG 43 HA ARG 43 10.020 -5.688 2.606
321 HB2 ARG 43 2HB ARG 43 11.840 -3.984 3.040
322 HB3 ARG 43 1HB ARG 43 10.262 -3.551 3.679
323 HG2 ARG 43 2HG ARG 43 10.962 -4.499 5.896
324 HG3 ARG 43 1HG ARG 43 12.576 -4.732 5.228
325 HD2 ARG 43 2HD ARG 43 13.011 -2.625 5.914
326 HD3 ARG 43 1HD ARG 43 11.992 -2.099 4.574
327 HE ARG 43 HE ARG 43 10.074 -2.157 6.245
328 HH11 ARG 43 1HH2 ARG 43 12.113 0.073 6.738
329 HH12 ARG 43 2HH2 ARG 43 12.312 -0.040 8.455
330 HH21 ARG 43 1HH1 ARG 43 10.859 -3.181 8.684
331 HH22 ARG 43 2HH1 ARG 43 11.602 -1.882 9.557
332 H GLY 44 H GLY 44 11.838 -6.416 1.437
333 HA2 GLY 44 2HA GLY 44 14.325 -7.136 2.373
334 HA3 GLY 44 1HA GLY 44 13.318 -8.542 2.708
335 H ASP 45 H ASP 45 14.994 -9.443 1.077
336 HA ASP 45 HA ASP 45 14.359 -8.745 -1.728
337 HB2 ASP 45 2HB ASP 45 16.260 -10.146 -2.312
338 HB3 ASP 45 1HB ASP 45 16.732 -9.057 -1.005
339 H MET 46 H MET 46 13.100 -10.815 0.570
340 HA MET 46 HA MET 46 12.692 -13.092 -1.237
341 HB2 MET 46 2HB MET 46 10.978 -12.988 1.152
342 HB3 MET 46 1HB MET 46 12.046 -14.267 0.588
343 HG2 MET 46 2HG MET 46 12.870 -11.775 2.104
344 HG3 MET 46 1HG MET 46 12.888 -13.428 2.705
345 HE1 MET 46 3HE MET 46 14.738 -14.604 2.969
346 HE2 MET 46 1HE MET 46 15.557 -13.091 3.379
347 HE3 MET 46 2HE MET 46 16.350 -14.272 2.341
348 HA PRO 47 HA PRO 47 8.293 -11.306 -1.275
349 HB2 PRO 47 2HB PRO 47 7.824 -9.004 0.154
350 HB3 PRO 47 1HB PRO 47 7.689 -10.624 0.854
351 HG2 PRO 47 2HG PRO 47 9.783 -8.570 1.297
352 HG3 PRO 47 1HG PRO 47 9.331 -9.946 2.315
353 HD2 PRO 47 2HD PRO 47 11.568 -9.772 0.532
354 HD3 PRO 47 1HD PRO 47 11.055 -11.190 1.465
355 H GLY 48 H GLY 48 7.244 -9.352 -2.459
356 HA2 GLY 48 2HA GLY 48 9.224 -7.409 -3.439
357 HA3 GLY 48 1HA GLY 48 8.456 -8.437 -4.639
358 HA PRO 49 HA PRO 49 4.846 -5.831 -3.051
359 HB2 PRO 49 2HB PRO 49 5.138 -4.438 -0.702
360 HB3 PRO 49 1HB PRO 49 4.555 -6.106 -0.792
361 HG2 PRO 49 2HG PRO 49 7.192 -5.115 0.132
362 HG3 PRO 49 1HG PRO 49 6.369 -6.621 0.520
363 HD2 PRO 49 2HD PRO 49 8.505 -6.294 -1.329
364 HD3 PRO 49 1HD PRO 49 7.504 -7.732 -1.090
365 H TYR 50 H TYR 50 4.577 -3.152 -2.233
366 HA TYR 50 HA TYR 50 6.806 -1.806 -3.706
367 HB2 TYR 50 2HB TYR 50 3.962 -1.941 -4.360
368 HB3 TYR 50 1HB TYR 50 4.574 -0.288 -4.296
369 HD1 TYR 50 1HD TYR 50 6.555 0.368 -5.690
370 HD2 TYR 50 2HD TYR 50 4.625 -3.450 -6.098
371 HE1 TYR 50 1HE TYR 50 7.650 0.049 -7.893
372 HE2 TYR 50 2HE TYR 50 5.721 -3.769 -8.299
373 HH TYR 50 HH TYR 50 6.944 -1.473 -10.094
374 H CYS 51 H CYS 51 7.578 0.011 -2.832
375 HA CYS 51 HA CYS 51 5.961 1.604 -0.887
376 HB2 CYS 51 2HB CYS 51 7.544 0.087 0.419
377 HB3 CYS 51 1HB CYS 51 8.864 0.919 -0.400
378 H CYS 52 H CYS 52 6.424 3.789 -1.141
379 HA CYS 52 HA CYS 52 8.810 4.674 -2.600
380 HB2 CYS 52 2HB CYS 52 6.654 5.806 -4.129
381 HB3 CYS 52 1HB CYS 52 8.033 4.872 -4.693
382 H GLU 53 H GLU 53 9.239 6.843 -2.298
383 HA GLU 53 HA GLU 53 7.574 8.198 -0.313
384 HB2 GLU 53 2HB GLU 53 9.914 9.533 -1.588
385 HB3 GLU 53 1HB GLU 53 9.363 9.577 0.087
386 HG2 GLU 53 2HG GLU 53 10.918 8.025 0.561
387 HG3 GLU 53 1HG GLU 53 9.976 6.882 -0.394
388 H SER 54 H SER 54 7.271 7.970 -3.565
389 HA SER 54 HA SER 54 6.727 10.811 -4.096
390 HB2 SER 54 2HB SER 54 5.577 9.072 -6.068
391 HB3 SER 54 1HB SER 54 6.955 10.155 -6.235
392 HG SER 54 HG SER 54 6.947 7.511 -6.147
393 H ASP 55 H ASP 55 4.583 11.666 -4.422
394 HA ASP 55 HA ASP 55 2.592 10.499 -2.689
395 HB2 ASP 55 2HB ASP 55 2.045 12.558 -4.830
396 HB3 ASP 55 1HB ASP 55 1.166 12.297 -3.330
397 H LYS 56 H LYS 56 0.614 9.549 -3.273
398 HA LYS 56 HA LYS 56 -0.692 8.019 -4.490
399 HB2 LYS 56 2HB LYS 56 0.180 9.531 -6.949
400 HB3 LYS 56 1HB LYS 56 -1.374 8.763 -6.630
401 HG2 LYS 56 2HG LYS 56 -1.486 10.453 -4.623
402 HG3 LYS 56 1HG LYS 56 -0.290 11.351 -5.560
403 HD2 LYS 56 2HD LYS 56 -2.329 10.513 -7.365
404 HD3 LYS 56 1HD LYS 56 -3.125 11.226 -5.961
405 HE2 LYS 56 2HE LYS 56 -0.796 12.570 -7.342
406 HE3 LYS 56 1HE LYS 56 -2.467 12.852 -7.830
407 HZ1 LYS 56 3HZ LYS 56 -2.453 14.406 -6.251
408 HZ2 LYS 56 1HZ LYS 56 -1.045 13.803 -5.521
409 HZ3 LYS 56 2HZ LYS 56 -2.557 13.125 -5.140
410 H CYS 57 H CYS 57 2.287 7.485 -4.204
411 HA CYS 57 HA CYS 57 3.260 6.340 -6.628
412 HB2 CYS 57 2HB CYS 57 5.086 5.969 -5.358
413 HB3 CYS 57 1HB CYS 57 4.195 6.609 -3.986
414 H ASN 58 H ASN 58 1.083 5.044 -4.160
415 HA ASN 58 HA ASN 58 1.192 2.407 -5.399
416 HB2 ASN 58 2HB ASN 58 -0.801 2.086 -3.669
417 HB3 ASN 58 1HB ASN 58 0.883 2.036 -3.160
418 HD21 ASN 58 1HD2 ASN 58 0.066 2.765 -0.977
419 HD22 ASN 58 2HD2 ASN 58 -0.332 4.400 -0.739
420 H LEU 59 H LEU 59 0.125 4.649 -7.014
421 HA LEU 59 HA LEU 59 -2.630 3.560 -7.419
422 HB2 LEU 59 2HB LEU 59 -2.563 5.973 -6.749
423 HB3 LEU 59 1HB LEU 59 -1.628 6.313 -8.206
424 HG LEU 59 HG LEU 59 -4.148 6.688 -8.394
425 HD11 LEU 59 1HD1 LEU 59 -2.297 5.806 -10.234
426 HD12 LEU 59 2HD1 LEU 59 -3.926 6.363 -10.618
427 HD13 LEU 59 3HD1 LEU 59 -3.606 4.639 -10.422
428 HD21 LEU 59 3HD2 LEU 59 -5.622 4.888 -8.348
429 HD22 LEU 59 1HD2 LEU 59 -4.465 4.397 -7.112
430 HD23 LEU 59 2HD2 LEU 59 -4.361 3.717 -8.735
Start of MODEL 13
1 H1 ARG 1 1HT ARG 1 1.962 10.855 4.511
2 H2 ARG 1 2HT ARG 1 3.427 11.390 3.840
3 H3 ARG 1 3HT ARG 1 2.565 10.122 3.107
4 HA ARG 1 HA ARG 1 1.562 12.901 3.379
5 HB2 ARG 1 2HB ARG 1 2.335 13.352 1.225
6 HB3 ARG 1 1HB ARG 1 3.627 12.343 1.858
7 HG2 ARG 1 2HG ARG 1 1.675 10.595 0.728
8 HG3 ARG 1 1HG ARG 1 1.985 11.868 -0.439
9 HD2 ARG 1 2HD ARG 1 4.218 10.417 0.946
10 HD3 ARG 1 1HD ARG 1 3.486 9.789 -0.515
11 HE ARG 1 HE ARG 1 5.051 11.234 -1.519
12 HH11 ARG 1 1HH1 ARG 1 5.341 12.648 1.326
13 HH12 ARG 1 2HH1 ARG 1 5.109 14.285 0.817
14 HH21 ARG 1 1HH2 ARG 1 3.970 13.429 -2.334
15 HH22 ARG 1 2HH2 ARG 1 4.325 14.727 -1.244
16 H ILE 2 H ILE 2 0.345 12.433 0.655
17 HA ILE 2 HA ILE 2 -2.020 10.949 1.637
18 HB ILE 2 HB ILE 2 -1.516 12.468 -0.933
19 HG12 ILE 2 2HG1 ILE 2 -3.663 13.550 0.457
20 HG13 ILE 2 1HG1 ILE 2 -2.530 13.085 1.727
21 HG21 ILE 2 1HG2 ILE 2 -3.954 12.104 -1.338
22 HG22 ILE 2 2HG2 ILE 2 -4.008 11.044 0.071
23 HG23 ILE 2 3HG2 ILE 2 -3.051 10.590 -1.338
24 HD11 ILE 2 3HD1 ILE 2 -0.886 14.234 -0.187
25 HD12 ILE 2 1HD1 ILE 2 -1.458 15.032 1.278
26 HD13 ILE 2 2HD1 ILE 2 -2.328 15.247 -0.240
27 H CYS 3 H CYS 3 -1.839 8.741 1.434
28 HA CYS 3 HA CYS 3 -0.924 7.826 -1.244
29 HB2 CYS 3 2HB CYS 3 -0.593 6.262 1.331
30 HB3 CYS 3 1HB CYS 3 0.010 5.803 -0.259
31 H TYR 4 H TYR 4 -1.844 5.371 -1.551
32 HA TYR 4 HA TYR 4 -4.747 5.739 -1.202
33 HB2 TYR 4 2HB TYR 4 -3.056 3.687 -2.637
34 HB3 TYR 4 1HB TYR 4 -4.786 3.446 -2.400
35 HD1 TYR 4 1HD TYR 4 -6.342 5.430 -3.076
36 HD2 TYR 4 2HD TYR 4 -2.312 4.946 -4.479
37 HE1 TYR 4 1HE TYR 4 -6.831 6.919 -4.997
38 HE2 TYR 4 2HE TYR 4 -2.800 6.437 -6.398
39 HH TYR 4 HH TYR 4 -4.824 7.169 -7.690
40 H ASN 5 H ASN 5 -6.043 4.405 0.147
41 HA ASN 5 HA ASN 5 -4.455 2.810 2.101
42 HB2 ASN 5 2HB ASN 5 -5.471 4.722 3.143
43 HB3 ASN 5 1HB ASN 5 -7.046 4.313 2.466
44 HD21 ASN 5 1HD2 ASN 5 -7.763 1.921 3.122
45 HD22 ASN 5 2HD2 ASN 5 -7.480 1.499 4.727
46 H HIS 6 H HIS 6 -7.257 2.615 -0.064
47 HA HIS 6 HA HIS 6 -8.442 0.394 1.244
48 HB2 HIS 6 2HB HIS 6 -9.237 1.821 -0.878
49 HB3 HIS 6 1HB HIS 6 -8.702 0.352 -1.678
50 HD1 HIS 6 1HD HIS 6 -10.848 1.254 1.350
51 HD2 HIS 6 2HD HIS 6 -10.607 -1.606 -1.677
52 HE1 HIS 6 1HE HIS 6 -12.841 -0.279 1.654
53 H LEU 7 H LEU 7 -8.699 -1.764 -0.106
54 HA LEU 7 HA LEU 7 -5.929 -2.821 -0.296
55 HB2 LEU 7 2HB LEU 7 -8.569 -4.169 0.282
56 HB3 LEU 7 1HB LEU 7 -7.051 -5.042 0.071
57 HG LEU 7 HG LEU 7 -6.131 -3.403 1.867
58 HD11 LEU 7 1HD1 LEU 7 -8.505 -3.209 3.357
59 HD12 LEU 7 2HD1 LEU 7 -8.934 -2.668 1.733
60 HD13 LEU 7 3HD1 LEU 7 -7.620 -1.880 2.607
61 HD21 LEU 7 3HD2 LEU 7 -6.499 -5.842 2.186
62 HD22 LEU 7 1HD2 LEU 7 -8.174 -5.513 2.629
63 HD23 LEU 7 2HD2 LEU 7 -6.861 -4.927 3.649
64 H GLY 8 H GLY 8 -5.786 -4.819 -1.712
65 HA2 GLY 8 2HA GLY 8 -5.741 -5.733 -3.856
66 HA3 GLY 8 1HA GLY 8 -7.440 -5.281 -3.953
67 H THR 9 H THR 9 -6.490 -5.027 -6.292
68 HA THR 9 HA THR 9 -5.061 -2.494 -6.726
69 HB THR 9 HB THR 9 -4.572 -4.481 -8.132
70 HG1 THR 9 1HG THR 9 -4.207 -2.515 -9.084
71 HG21 THR 9 3HG2 THR 9 -6.393 -4.946 -9.917
72 HG22 THR 9 1HG2 THR 9 -7.496 -4.168 -8.782
73 HG23 THR 9 2HG2 THR 9 -6.622 -5.624 -8.305
74 H LYS 10 H LYS 10 -8.309 -3.471 -6.371
75 HA LYS 10 HA LYS 10 -9.723 -1.906 -8.224
76 HB2 LYS 10 2HB LYS 10 -10.270 -3.159 -5.690
77 HB3 LYS 10 1HB LYS 10 -10.991 -1.548 -5.701
78 HG2 LYS 10 2HG LYS 10 -11.731 -2.310 -8.154
79 HG3 LYS 10 1HG LYS 10 -11.604 -3.909 -7.419
80 HD2 LYS 10 2HD LYS 10 -12.923 -2.210 -5.549
81 HD3 LYS 10 1HD LYS 10 -13.702 -1.984 -7.115
82 HE2 LYS 10 2HE LYS 10 -13.070 -4.761 -6.162
83 HE3 LYS 10 1HE LYS 10 -14.502 -3.933 -5.550
84 HZ1 LYS 10 3HZ LYS 10 -14.548 -5.349 -7.756
85 HZ2 LYS 10 1HZ LYS 10 -14.038 -3.881 -8.433
86 HZ3 LYS 10 2HZ LYS 10 -15.499 -3.953 -7.568
87 HA PRO 11 HA PRO 11 -9.028 2.292 -7.061
88 HB2 PRO 11 2HB PRO 11 -11.561 3.364 -6.944
89 HB3 PRO 11 1HB PRO 11 -10.750 2.941 -8.462
90 HG2 PRO 11 2HG PRO 11 -12.959 1.514 -7.055
91 HG3 PRO 11 1HG PRO 11 -12.559 1.538 -8.780
92 HD2 PRO 11 2HD PRO 11 -11.962 -0.552 -6.973
93 HD3 PRO 11 1HD PRO 11 -11.273 -0.355 -8.599
94 HA PRO 12 HA PRO 12 -9.772 1.861 -2.629
95 HB2 PRO 12 2HB PRO 12 -7.330 2.878 -1.891
96 HB3 PRO 12 1HB PRO 12 -7.539 1.208 -2.421
97 HG2 PRO 12 2HG PRO 12 -6.268 3.431 -3.823
98 HG3 PRO 12 1HG PRO 12 -6.089 1.699 -4.093
99 HD2 PRO 12 2HD PRO 12 -7.682 3.536 -5.636
100 HD3 PRO 12 1HD PRO 12 -7.546 1.781 -5.849
101 H THR 13 H THR 13 -9.163 3.645 -0.772
102 HA THR 13 HA THR 13 -10.062 6.273 -1.885
103 HB THR 13 HB THR 13 -11.028 6.752 0.258
104 HG1 THR 13 1HG THR 13 -9.707 4.389 1.094
105 HG21 THR 13 3HG2 THR 13 -12.066 4.150 0.533
106 HG22 THR 13 1HG2 THR 13 -11.683 4.332 -1.179
107 HG23 THR 13 2HG2 THR 13 -12.764 5.481 -0.391
108 H THR 14 H THR 14 -8.359 7.663 -2.049
109 HA THR 14 HA THR 14 -5.794 7.259 -1.087
110 HB THR 14 HB THR 14 -5.622 9.833 -1.030
111 HG1 THR 14 1HG THR 14 -7.375 10.904 -1.839
112 HG21 THR 14 3HG2 THR 14 -5.587 7.951 -3.064
113 HG22 THR 14 1HG2 THR 14 -5.014 9.615 -3.183
114 HG23 THR 14 2HG2 THR 14 -6.656 9.209 -3.685
115 H GLU 15 H GLU 15 -4.644 8.282 0.690
116 HA GLU 15 HA GLU 15 -6.223 9.112 3.029
117 HB2 GLU 15 2HB GLU 15 -5.844 6.452 2.782
118 HB3 GLU 15 1HB GLU 15 -4.323 6.878 3.565
119 HG2 GLU 15 2HG GLU 15 -6.194 6.270 5.156
120 HG3 GLU 15 1HG GLU 15 -5.482 7.861 5.439
121 H THR 16 H THR 16 -4.809 10.072 4.672
122 HA THR 16 HA THR 16 -2.181 10.815 3.479
123 HB THR 16 HB THR 16 -3.160 12.389 5.775
124 HG1 THR 16 1HG THR 16 -4.584 13.457 4.060
125 HG21 THR 16 3HG2 THR 16 -1.511 12.673 3.446
126 HG22 THR 16 1HG2 THR 16 -1.696 13.784 4.803
127 HG23 THR 16 2HG2 THR 16 -2.768 13.910 3.409
128 H CYS 17 H CYS 17 -0.312 10.552 4.640
129 HA CYS 17 HA CYS 17 -0.500 9.604 7.450
130 HB2 CYS 17 2HB CYS 17 1.319 8.228 5.472
131 HB3 CYS 17 1HB CYS 17 0.829 7.682 7.077
132 H GLN 18 H GLN 18 2.203 9.193 7.917
133 HA GLN 18 HA GLN 18 3.203 11.955 7.549
134 HB2 GLN 18 2HB GLN 18 3.241 10.932 9.806
135 HB3 GLN 18 1HB GLN 18 4.369 9.720 9.210
136 HG2 GLN 18 2HG GLN 18 5.489 11.694 10.319
137 HG3 GLN 18 1HG GLN 18 6.012 11.395 8.667
138 HE21 GLN 18 1HE2 GLN 18 5.067 12.811 6.944
139 HE22 GLN 18 2HE2 GLN 18 4.465 14.345 7.339
140 H GLU 19 H GLU 19 4.246 8.625 6.967
141 HA GLU 19 HA GLU 19 6.817 9.350 5.945
142 HB2 GLU 19 2HB GLU 19 5.507 6.956 4.770
143 HB3 GLU 19 1HB GLU 19 7.122 7.133 5.448
144 HG2 GLU 19 2HG GLU 19 5.703 7.507 7.696
145 HG3 GLU 19 1HG GLU 19 4.555 6.492 6.821
146 H ASP 20 H ASP 20 7.471 9.970 3.929
147 HA ASP 20 HA ASP 20 5.430 10.948 2.098
148 HB2 ASP 20 2HB ASP 20 7.945 10.846 0.748
149 HB3 ASP 20 1HB ASP 20 7.099 12.262 1.351
150 H SER 21 H SER 21 7.010 7.984 2.584
151 HA SER 21 HA SER 21 6.821 7.117 -0.202
152 HB2 SER 21 2HB SER 21 7.198 5.195 2.057
153 HB3 SER 21 1HB SER 21 7.949 5.206 0.465
154 HG SER 21 HG SER 21 9.334 5.857 2.244
155 H CYS 22 H CYS 22 5.291 5.554 -0.971
156 HA CYS 22 HA CYS 22 2.969 5.094 0.841
157 HB2 CYS 22 2HB CYS 22 2.917 5.327 -2.184
158 HB3 CYS 22 1HB CYS 22 1.527 5.107 -1.123
159 H TYR 23 H TYR 23 2.761 2.924 1.267
160 HA TYR 23 HA TYR 23 4.171 1.141 -0.644
161 HB2 TYR 23 2HB TYR 23 4.937 -0.211 1.052
162 HB3 TYR 23 1HB TYR 23 5.023 1.379 1.788
163 HD1 TYR 23 1HD TYR 23 2.356 1.979 2.728
164 HD2 TYR 23 2HD TYR 23 4.378 -1.809 2.608
165 HE1 TYR 23 1HE TYR 23 0.975 1.179 4.623
166 HE2 TYR 23 2HE TYR 23 2.984 -2.610 4.494
167 HH TYR 23 HH TYR 23 1.516 -0.895 6.546
168 H LYS 24 H LYS 24 3.157 -0.299 -1.621
169 HA LYS 24 HA LYS 24 0.439 -1.105 -0.693
170 HB2 LYS 24 2HB LYS 24 -0.363 -0.218 -2.595
171 HB3 LYS 24 1HB LYS 24 1.260 0.210 -3.106
172 HG2 LYS 24 2HG LYS 24 0.821 -2.618 -3.536
173 HG3 LYS 24 1HG LYS 24 -0.459 -1.665 -4.272
174 HD2 LYS 24 2HD LYS 24 2.250 -0.559 -4.617
175 HD3 LYS 24 1HD LYS 24 1.957 -2.088 -5.448
176 HE2 LYS 24 2HE LYS 24 -0.345 -0.456 -5.832
177 HE3 LYS 24 1HE LYS 24 1.071 0.535 -6.185
178 HZ1 LYS 24 3HZ LYS 24 1.726 -1.764 -7.375
179 HZ2 LYS 24 1HZ LYS 24 0.955 -0.477 -8.165
180 HZ3 LYS 24 2HZ LYS 24 0.039 -1.781 -7.579
181 H ASN 25 H ASN 25 0.637 -3.117 0.013
182 HA ASN 25 HA ASN 25 2.510 -4.958 -1.414
183 HB2 ASN 25 2HB ASN 25 2.370 -6.048 1.052
184 HB3 ASN 25 1HB ASN 25 3.548 -4.810 0.628
185 HD21 ASN 25 1HD2 ASN 25 2.530 -2.441 0.848
186 HD22 ASN 25 2HD2 ASN 25 1.642 -2.168 2.264
187 H ILE 26 H ILE 26 1.937 -7.228 -1.342
188 HA ILE 26 HA ILE 26 -0.978 -7.629 -1.575
189 HB ILE 26 HB ILE 26 -0.477 -9.550 -2.825
190 HG12 ILE 26 2HG1 ILE 26 0.973 -10.576 -1.041
191 HG13 ILE 26 1HG1 ILE 26 1.580 -10.823 -2.677
192 HG21 ILE 26 1HG2 ILE 26 0.917 -7.194 -3.389
193 HG22 ILE 26 2HG2 ILE 26 0.601 -8.518 -4.510
194 HG23 ILE 26 3HG2 ILE 26 2.109 -8.476 -3.597
195 HD11 ILE 26 3HD1 ILE 26 3.011 -8.743 -2.328
196 HD12 ILE 26 1HD1 ILE 26 3.466 -10.150 -1.367
197 HD13 ILE 26 2HD1 ILE 26 2.562 -8.830 -0.625
198 H TRP 27 H TRP 27 1.453 -8.015 0.753
199 HA TRP 27 HA TRP 27 0.450 -10.402 2.058
200 HB2 TRP 27 2HB TRP 27 2.086 -8.157 3.261
201 HB3 TRP 27 1HB TRP 27 1.961 -9.814 3.856
202 HD1 TRP 27 HD TRP 27 3.722 -7.684 1.289
203 HE1 TRP 27 1HE TRP 27 5.438 -9.122 0.009
204 HE3 TRP 27 3HE TRP 27 2.433 -12.321 2.993
205 HZ2 TRP 27 2HZ TRP 27 6.172 -11.873 -0.250
206 HZ3 TRP 27 3HZ TRP 27 3.656 -14.330 2.217
207 HH2 TRP 27 HH TRP 27 5.523 -14.113 0.599
208 H THR 28 H THR 28 -1.595 -10.396 2.877
209 HA THR 28 HA THR 28 -2.265 -8.426 4.930
210 HB THR 28 HB THR 28 -2.883 -7.452 2.601
211 HG1 THR 28 1HG THR 28 -3.661 -6.567 4.497
212 HG21 THR 28 3HG2 THR 28 -5.262 -9.279 2.978
213 HG22 THR 28 1HG2 THR 28 -3.935 -9.654 1.878
214 HG23 THR 28 2HG2 THR 28 -4.920 -8.214 1.615
215 H PHE 29 H PHE 29 -4.597 -8.959 5.767
216 HA PHE 29 HA PHE 29 -4.861 -11.935 5.738
217 HB2 PHE 29 2HB PHE 29 -4.651 -10.116 7.878
218 HB3 PHE 29 1HB PHE 29 -6.337 -10.636 7.861
219 HD1 PHE 29 2HD PHE 29 -2.831 -11.741 8.185
220 HD2 PHE 29 1HD PHE 29 -6.951 -12.959 8.236
221 HE1 PHE 29 2HE PHE 29 -2.174 -13.920 9.170
222 HE2 PHE 29 1HE PHE 29 -6.294 -15.140 9.218
223 HZ PHE 29 HZ PHE 29 -3.905 -15.619 9.686
224 H ASP 30 H ASP 30 -6.916 -9.014 6.113
225 HA ASP 30 HA ASP 30 -9.357 -10.382 5.516
226 HB2 ASP 30 2HB ASP 30 -8.585 -7.748 6.195
227 HB3 ASP 30 1HB ASP 30 -9.450 -7.625 4.662
228 H ASN 31 H ASN 31 -8.060 -7.828 3.407
229 HA ASN 31 HA ASN 31 -9.098 -9.281 1.068
230 HB2 ASN 31 2HB ASN 31 -9.140 -6.694 1.547
231 HB3 ASN 31 1HB ASN 31 -7.504 -6.742 0.892
232 HD21 ASN 31 1HD2 ASN 31 -7.498 -6.303 -1.310
233 HD22 ASN 31 2HD2 ASN 31 -8.714 -6.761 -2.403
234 H ILE 32 H ILE 32 -6.718 -7.857 -0.444
235 HA ILE 32 HA ILE 32 -4.669 -9.934 0.188
236 HB ILE 32 HB ILE 32 -5.214 -9.032 -2.634
237 HG12 ILE 32 2HG1 ILE 32 -7.348 -9.892 -1.810
238 HG13 ILE 32 1HG1 ILE 32 -6.614 -11.089 -2.878
239 HG21 ILE 32 1HG2 ILE 32 -3.273 -10.253 -2.709
240 HG22 ILE 32 2HG2 ILE 32 -4.405 -11.605 -2.745
241 HG23 ILE 32 3HG2 ILE 32 -3.647 -11.131 -1.226
242 HD11 ILE 32 3HD1 ILE 32 -5.723 -11.435 -0.128
243 HD12 ILE 32 1HD1 ILE 32 -6.471 -12.605 -1.214
244 HD13 ILE 32 2HD1 ILE 32 -7.480 -11.524 -0.253
245 H ILE 33 H ILE 33 -4.998 -7.157 -2.058
246 HA ILE 33 HA ILE 33 -2.274 -6.301 -1.288
247 HB ILE 33 HB ILE 33 -4.031 -4.883 -3.269
248 HG12 ILE 33 2HG1 ILE 33 -4.089 -7.343 -3.720
249 HG13 ILE 33 1HG1 ILE 33 -3.307 -6.420 -5.003
250 HG21 ILE 33 1HG2 ILE 33 -1.754 -4.582 -4.354
251 HG22 ILE 33 2HG2 ILE 33 -1.057 -5.303 -2.902
252 HG23 ILE 33 3HG2 ILE 33 -1.952 -3.787 -2.792
253 HD11 ILE 33 3HD1 ILE 33 -1.610 -7.912 -4.762
254 HD12 ILE 33 1HD1 ILE 33 -2.167 -8.424 -3.169
255 HD13 ILE 33 2HD1 ILE 33 -1.191 -6.964 -3.335
256 H ARG 34 H ARG 34 -1.856 -4.149 -0.492
257 HA ARG 34 HA ARG 34 -4.229 -2.567 0.217
258 HB2 ARG 34 2HB ARG 34 -3.579 -4.205 2.144
259 HB3 ARG 34 1HB ARG 34 -2.288 -3.032 2.439
260 HG2 ARG 34 2HG ARG 34 -3.758 -1.364 3.037
261 HG3 ARG 34 1HG ARG 34 -4.988 -1.924 1.934
262 HD2 ARG 34 2HD ARG 34 -6.035 -2.742 3.775
263 HD3 ARG 34 1HD ARG 34 -4.813 -4.014 3.737
264 HE ARG 34 HE ARG 34 -4.183 -3.105 5.816
265 HH11 ARG 34 1HH1 ARG 34 -5.874 -0.664 4.232
266 HH12 ARG 34 2HH1 ARG 34 -4.996 0.646 4.947
267 HH21 ARG 34 1HH2 ARG 34 -2.641 -1.405 6.455
268 HH22 ARG 34 2HH2 ARG 34 -3.166 0.228 6.206
269 H ARG 35 H ARG 35 -3.852 -0.547 -0.272
270 HA ARG 35 HA ARG 35 -1.110 0.402 -0.708
271 HB2 ARG 35 2HB ARG 35 -3.836 1.621 -1.089
272 HB3 ARG 35 1HB ARG 35 -2.369 2.557 -1.296
273 HG2 ARG 35 2HG ARG 35 -1.773 1.449 -3.206
274 HG3 ARG 35 1HG ARG 35 -2.486 -0.073 -2.677
275 HD2 ARG 35 2HD ARG 35 -4.649 1.682 -2.907
276 HD3 ARG 35 1HD ARG 35 -3.647 2.024 -4.317
277 HE ARG 35 HE ARG 35 -5.102 -0.464 -3.797
278 HH11 ARG 35 1HH2 ARG 35 -2.051 -0.761 -4.444
279 HH12 ARG 35 2HH2 ARG 35 -2.147 -1.106 -6.139
280 HH21 ARG 35 1HH1 ARG 35 -5.449 -0.091 -6.420
281 HH22 ARG 35 2HH1 ARG 35 -4.072 -0.723 -7.259
282 H GLY 36 H GLY 36 0.014 1.552 0.793
283 HA2 GLY 36 2HA GLY 36 -1.477 2.922 2.964
284 HA3 GLY 36 1HA GLY 36 -0.254 1.742 3.415
285 H CYS 37 H CYS 37 0.825 3.578 4.485
286 HA CYS 37 HA CYS 37 2.475 5.152 2.560
287 HB2 CYS 37 2HB CYS 37 1.772 6.307 5.234
288 HB3 CYS 37 1HB CYS 37 2.180 7.138 3.733
289 H GLY 38 H GLY 38 4.590 4.557 2.843
290 HA2 GLY 38 2HA GLY 38 6.532 4.433 4.374
291 HA3 GLY 38 1HA GLY 38 5.432 3.853 5.637
292 H CYS 39 H CYS 39 7.819 2.510 4.247
293 HA CYS 39 HA CYS 39 6.789 0.535 2.499
294 HB2 CYS 39 2HB CYS 39 9.278 0.707 4.134
295 HB3 CYS 39 1HB CYS 39 8.868 -0.812 3.343
296 H PHE 40 H PHE 40 6.905 -1.795 2.925
297 HA PHE 40 HA PHE 40 4.892 -2.539 4.840
298 HB2 PHE 40 2HB PHE 40 6.148 -4.926 4.123
299 HB3 PHE 40 1HB PHE 40 4.785 -4.193 3.278
300 HD1 PHE 40 1HD PHE 40 8.441 -4.629 3.310
301 HD2 PHE 40 2HD PHE 40 5.094 -2.939 1.223
302 HE1 PHE 40 1HE PHE 40 9.908 -4.132 1.368
303 HE2 PHE 40 2HE PHE 40 6.552 -2.450 -0.725
304 HZ PHE 40 HZ PHE 40 8.964 -3.039 -0.652
305 H THR 41 H THR 41 5.597 -4.761 6.123
306 HA THR 41 HA THR 41 7.450 -3.733 8.139
307 HB THR 41 HB THR 41 5.348 -5.793 8.054
308 HG1 THR 41 1HG THR 41 4.907 -4.062 9.235
309 HG21 THR 41 3HG2 THR 41 7.243 -7.263 8.580
310 HG22 THR 41 1HG2 THR 41 6.261 -7.010 10.023
311 HG23 THR 41 2HG2 THR 41 7.783 -6.142 9.830
312 HA PRO 42 HA PRO 42 10.039 -7.500 7.043
313 HB2 PRO 42 2HB PRO 42 9.071 -9.385 5.297
314 HB3 PRO 42 1HB PRO 42 8.746 -9.410 7.040
315 HG2 PRO 42 2HG PRO 42 6.906 -8.742 4.816
316 HG3 PRO 42 1HG PRO 42 6.526 -9.239 6.472
317 HD2 PRO 42 2HD PRO 42 6.474 -6.581 5.394
318 HD3 PRO 42 1HD PRO 42 6.167 -7.064 7.071
319 H ARG 43 H ARG 43 10.045 -5.133 5.518
320 HA ARG 43 HA ARG 43 10.083 -5.418 2.712
321 HB2 ARG 43 2HB ARG 43 12.072 -3.668 2.951
322 HB3 ARG 43 1HB ARG 43 10.414 -3.212 3.324
323 HG2 ARG 43 2HG ARG 43 11.793 -4.446 5.594
324 HG3 ARG 43 1HG ARG 43 12.568 -2.962 5.042
325 HD2 ARG 43 2HD ARG 43 10.070 -2.071 4.986
326 HD3 ARG 43 1HD ARG 43 9.821 -3.360 6.164
327 HE ARG 43 HE ARG 43 12.082 -1.994 7.064
328 HH11 ARG 43 1HH1 ARG 43 8.846 -2.061 7.639
329 HH12 ARG 43 2HH1 ARG 43 8.694 -0.420 8.176
330 HH21 ARG 43 1HH2 ARG 43 11.886 0.485 7.170
331 HH22 ARG 43 2HH2 ARG 43 10.415 1.020 7.911
332 H GLY 44 H GLY 44 11.730 -6.014 1.239
333 HA2 GLY 44 2HA GLY 44 14.369 -6.590 1.620
334 HA3 GLY 44 1HA GLY 44 13.568 -8.017 2.271
335 H ASP 45 H ASP 45 14.889 -8.941 0.349
336 HA ASP 45 HA ASP 45 13.571 -8.503 -2.264
337 HB2 ASP 45 2HB ASP 45 16.197 -9.181 -1.453
338 HB3 ASP 45 1HB ASP 45 15.559 -10.586 -2.311
339 H MET 46 H MET 46 13.220 -10.565 0.407
340 HA MET 46 HA MET 46 12.573 -13.000 -0.996
341 HB2 MET 46 2HB MET 46 12.776 -12.213 1.700
342 HB3 MET 46 1HB MET 46 11.110 -12.750 1.481
343 HG2 MET 46 2HG MET 46 13.548 -14.333 0.616
344 HG3 MET 46 1HG MET 46 12.648 -14.617 2.105
345 HE1 MET 46 3HE MET 46 12.067 -16.709 -1.624
346 HE2 MET 46 1HE MET 46 13.437 -16.249 -0.602
347 HE3 MET 46 2HE MET 46 12.779 -15.104 -1.769
348 HA PRO 47 HA PRO 47 8.082 -11.465 -0.740
349 HB2 PRO 47 2HB PRO 47 7.612 -9.030 0.440
350 HB3 PRO 47 1HB PRO 47 7.678 -10.546 1.347
351 HG2 PRO 47 2HG PRO 47 9.670 -8.342 1.250
352 HG3 PRO 47 1HG PRO 47 9.408 -9.563 2.506
353 HD2 PRO 47 2HD PRO 47 11.449 -9.575 0.511
354 HD3 PRO 47 1HD PRO 47 11.067 -10.881 1.649
355 H GLY 48 H GLY 48 6.777 -9.702 -2.018
356 HA2 GLY 48 2HA GLY 48 8.595 -7.928 -3.530
357 HA3 GLY 48 1HA GLY 48 7.564 -9.035 -4.423
358 HA PRO 49 HA PRO 49 4.433 -6.015 -2.596
359 HB2 PRO 49 2HB PRO 49 5.150 -4.464 -0.443
360 HB3 PRO 49 1HB PRO 49 4.474 -6.096 -0.300
361 HG2 PRO 49 2HG PRO 49 7.255 -5.203 0.168
362 HG3 PRO 49 1HG PRO 49 6.434 -6.643 0.758
363 HD2 PRO 49 2HD PRO 49 8.287 -6.489 -1.413
364 HD3 PRO 49 1HD PRO 49 7.337 -7.882 -0.889
365 H TYR 50 H TYR 50 4.489 -3.251 -1.945
366 HA TYR 50 HA TYR 50 6.546 -2.208 -3.846
367 HB2 TYR 50 2HB TYR 50 3.688 -2.224 -4.171
368 HB3 TYR 50 1HB TYR 50 4.270 -0.560 -4.095
369 HD1 TYR 50 2HD TYR 50 5.142 -3.858 -5.655
370 HD2 TYR 50 1HD TYR 50 5.155 0.422 -6.023
371 HE1 TYR 50 2HE TYR 50 6.043 -4.059 -7.957
372 HE2 TYR 50 1HE TYR 50 6.056 0.222 -8.325
373 HH TYR 50 HH TYR 50 7.471 -1.617 -9.587
374 H CYS 51 H CYS 51 7.172 -0.057 -3.581
375 HA CYS 51 HA CYS 51 6.315 1.466 -1.150
376 HB2 CYS 51 2HB CYS 51 9.050 0.313 -1.692
377 HB3 CYS 51 1HB CYS 51 8.893 1.861 -0.867
378 H CYS 52 H CYS 52 5.765 3.346 -2.244
379 HA CYS 52 HA CYS 52 7.696 4.333 -4.306
380 HB2 CYS 52 2HB CYS 52 5.492 3.796 -5.253
381 HB3 CYS 52 1HB CYS 52 4.720 4.885 -4.110
382 H GLU 53 H GLU 53 7.830 6.717 -4.408
383 HA GLU 53 HA GLU 53 7.426 7.895 -1.694
384 HB2 GLU 53 2HB GLU 53 9.527 8.824 -3.640
385 HB3 GLU 53 1HB GLU 53 9.430 9.105 -1.899
386 HG2 GLU 53 2HG GLU 53 10.540 7.200 -1.463
387 HG3 GLU 53 1HG GLU 53 9.414 6.267 -2.447
388 H SER 54 H SER 54 5.355 8.024 -3.469
389 HA SER 54 HA SER 54 5.228 10.945 -3.976
390 HB2 SER 54 2HB SER 54 3.796 9.531 -6.048
391 HB3 SER 54 1HB SER 54 5.064 10.742 -6.217
392 HG SER 54 HG SER 54 6.137 9.070 -6.946
393 H ASP 55 H ASP 55 2.973 11.714 -3.881
394 HA ASP 55 HA ASP 55 1.396 10.163 -2.034
395 HB2 ASP 55 2HB ASP 55 0.140 12.333 -3.676
396 HB3 ASP 55 1HB ASP 55 -0.069 11.941 -1.974
397 H LYS 56 H LYS 56 -0.675 9.201 -2.428
398 HA LYS 56 HA LYS 56 -1.876 7.534 -3.611
399 HB2 LYS 56 2HB LYS 56 -3.164 8.481 -5.428
400 HB3 LYS 56 1HB LYS 56 -2.957 9.736 -4.207
401 HG2 LYS 56 2HG LYS 56 -1.115 10.712 -5.480
402 HG3 LYS 56 1HG LYS 56 -1.228 9.424 -6.679
403 HD2 LYS 56 2HD LYS 56 -3.558 10.124 -7.181
404 HD3 LYS 56 1HD LYS 56 -3.386 11.452 -6.032
405 HE2 LYS 56 2HE LYS 56 -1.419 12.266 -7.372
406 HE3 LYS 56 1HE LYS 56 -1.793 11.032 -8.574
407 HZ1 LYS 56 3HZ LYS 56 -3.746 13.067 -7.660
408 HZ2 LYS 56 1HZ LYS 56 -3.902 12.005 -8.973
409 HZ3 LYS 56 2HZ LYS 56 -2.763 13.263 -9.031
410 H CYS 57 H CYS 57 0.979 7.375 -3.983
411 HA CYS 57 HA CYS 57 1.400 6.909 -6.853
412 HB2 CYS 57 2HB CYS 57 3.127 7.927 -5.340
413 HB3 CYS 57 1HB CYS 57 3.277 6.359 -4.548
414 H ASN 58 H ASN 58 0.243 4.960 -4.247
415 HA ASN 58 HA ASN 58 1.355 2.537 -5.495
416 HB2 ASN 58 2HB ASN 58 0.007 1.442 -3.557
417 HB3 ASN 58 1HB ASN 58 1.511 2.274 -3.190
418 HD21 ASN 58 1HD2 ASN 58 0.214 2.270 -0.966
419 HD22 ASN 58 2HD2 ASN 58 -0.768 3.638 -0.688
420 H LEU 59 H LEU 59 -0.367 3.785 -7.217
421 HA LEU 59 HA LEU 59 -2.905 2.227 -6.969
422 HB2 LEU 59 2HB LEU 59 -2.598 4.910 -7.423
423 HB3 LEU 59 1HB LEU 59 -2.727 4.293 -9.069
424 HG LEU 59 HG LEU 59 -4.956 4.838 -8.160
425 HD11 LEU 59 1HD1 LEU 59 -5.897 2.411 -8.344
426 HD12 LEU 59 2HD1 LEU 59 -4.226 1.962 -8.687
427 HD13 LEU 59 3HD1 LEU 59 -5.068 3.099 -9.740
428 HD21 LEU 59 3HD2 LEU 59 -5.304 4.473 -5.959
429 HD22 LEU 59 1HD2 LEU 59 -3.851 3.481 -5.845
430 HD23 LEU 59 2HD2 LEU 59 -5.382 2.748 -6.318
Start of MODEL 14
1 H1 ARG 1 1HT ARG 1 3.384 12.871 4.192
2 H2 ARG 1 2HT ARG 1 1.834 13.499 4.495
3 H3 ARG 1 3HT ARG 1 3.105 14.539 4.058
4 HA ARG 1 HA ARG 1 2.116 14.385 2.046
5 HB2 ARG 1 2HB ARG 1 4.438 13.283 2.036
6 HB3 ARG 1 1HB ARG 1 3.576 11.745 1.983
7 HG2 ARG 1 2HG ARG 1 2.286 12.793 -0.007
8 HG3 ARG 1 1HG ARG 1 3.614 13.941 -0.073
9 HD2 ARG 1 2HD ARG 1 4.735 11.337 0.184
10 HD3 ARG 1 1HD ARG 1 3.505 11.252 -1.064
11 HE ARG 1 HE ARG 1 5.352 12.107 -2.296
12 HH11 ARG 1 1HH2 ARG 1 4.024 14.738 -2.036
13 HH12 ARG 1 2HH2 ARG 1 5.287 15.738 -1.399
14 HH21 ARG 1 1HH1 ARG 1 7.271 13.074 -0.419
15 HH22 ARG 1 2HH1 ARG 1 7.119 14.797 -0.482
16 H ILE 2 H ILE 2 0.656 13.180 0.536
17 HA ILE 2 HA ILE 2 -1.138 11.365 2.078
18 HB ILE 2 HB ILE 2 -1.721 12.354 -0.690
19 HG12 ILE 2 2HG1 ILE 2 -1.940 13.939 1.879
20 HG13 ILE 2 1HG1 ILE 2 -0.970 14.327 0.458
21 HG21 ILE 2 1HG2 ILE 2 -3.258 10.753 0.320
22 HG22 ILE 2 2HG2 ILE 2 -4.040 12.331 0.229
23 HG23 ILE 2 3HG2 ILE 2 -3.395 11.754 1.767
24 HD11 ILE 2 3HD1 ILE 2 -3.653 13.912 -0.415
25 HD12 ILE 2 1HD1 ILE 2 -2.723 15.410 -0.444
26 HD13 ILE 2 2HD1 ILE 2 -3.702 15.007 0.967
27 H CYS 3 H CYS 3 -1.197 9.214 1.625
28 HA CYS 3 HA CYS 3 -0.063 8.389 -1.012
29 HB2 CYS 3 2HB CYS 3 0.230 7.068 1.691
30 HB3 CYS 3 1HB CYS 3 0.444 6.161 0.198
31 H TYR 4 H TYR 4 -0.985 5.968 -1.472
32 HA TYR 4 HA TYR 4 -3.906 6.351 -1.278
33 HB2 TYR 4 2HB TYR 4 -2.165 5.123 -3.167
34 HB3 TYR 4 1HB TYR 4 -3.206 3.858 -2.535
35 HD1 TYR 4 1HD TYR 4 -5.699 4.142 -2.654
36 HD2 TYR 4 2HD TYR 4 -2.975 6.834 -4.595
37 HE1 TYR 4 1HE TYR 4 -7.540 4.970 -4.090
38 HE2 TYR 4 2HE TYR 4 -4.815 7.666 -6.031
39 HH TYR 4 HH TYR 4 -7.427 6.223 -6.687
40 H ASN 5 H ASN 5 -5.247 5.000 -0.138
41 HA ASN 5 HA ASN 5 -3.955 3.041 1.691
42 HB2 ASN 5 2HB ASN 5 -4.940 4.687 3.056
43 HB3 ASN 5 1HB ASN 5 -6.310 4.902 1.974
44 HD21 ASN 5 1HD2 ASN 5 -5.033 1.775 3.138
45 HD22 ASN 5 2HD2 ASN 5 -6.427 1.348 4.001
46 H HIS 6 H HIS 6 -6.394 3.610 -0.727
47 HA HIS 6 HA HIS 6 -8.117 1.468 -0.336
48 HB2 HIS 6 2HB HIS 6 -8.969 2.291 -2.256
49 HB3 HIS 6 1HB HIS 6 -7.561 3.330 -2.394
50 HD1 HIS 6 1HD HIS 6 -6.452 3.069 -4.602
51 HD2 HIS 6 2HD HIS 6 -8.140 -0.521 -3.323
52 HE1 HIS 6 1HE HIS 6 -5.976 1.366 -6.416
53 H LEU 7 H LEU 7 -7.950 -0.691 -0.454
54 HA LEU 7 HA LEU 7 -5.332 -1.826 -1.307
55 HB2 LEU 7 2HB LEU 7 -5.959 -3.767 0.068
56 HB3 LEU 7 1HB LEU 7 -6.067 -2.284 1.014
57 HG LEU 7 HG LEU 7 -8.549 -2.926 -0.409
58 HD11 LEU 7 1HD1 LEU 7 -7.502 -4.797 1.736
59 HD12 LEU 7 2HD1 LEU 7 -7.844 -5.222 0.059
60 HD13 LEU 7 3HD1 LEU 7 -9.162 -4.774 1.141
61 HD21 LEU 7 3HD2 LEU 7 -8.842 -2.827 2.416
62 HD22 LEU 7 1HD2 LEU 7 -9.217 -1.557 1.251
63 HD23 LEU 7 2HD2 LEU 7 -7.616 -1.635 1.988
64 H GLY 8 H GLY 8 -5.348 -3.807 -2.565
65 HA2 GLY 8 2HA GLY 8 -6.008 -4.952 -4.510
66 HA3 GLY 8 1HA GLY 8 -7.503 -5.202 -3.610
67 H THR 9 H THR 9 -8.887 -4.954 -5.406
68 HA THR 9 HA THR 9 -8.821 -2.280 -6.742
69 HB THR 9 HB THR 9 -8.558 -4.236 -8.250
70 HG1 THR 9 1HG THR 9 -9.706 -3.177 -9.638
71 HG21 THR 9 3HG2 THR 9 -10.164 -5.588 -6.614
72 HG22 THR 9 1HG2 THR 9 -10.054 -5.994 -8.327
73 HG23 THR 9 2HG2 THR 9 -11.397 -5.014 -7.736
74 H LYS 10 H LYS 10 -10.268 -3.560 -4.192
75 HA LYS 10 HA LYS 10 -13.067 -3.383 -4.635
76 HB2 LYS 10 2HB LYS 10 -11.747 -2.496 -2.062
77 HB3 LYS 10 1HB LYS 10 -13.265 -3.362 -2.268
78 HG2 LYS 10 2HG LYS 10 -11.285 -4.955 -3.491
79 HG3 LYS 10 1HG LYS 10 -10.615 -4.434 -1.945
80 HD2 LYS 10 2HD LYS 10 -11.952 -5.871 -0.847
81 HD3 LYS 10 1HD LYS 10 -13.379 -5.138 -1.580
82 HE2 LYS 10 2HE LYS 10 -12.352 -6.588 -3.676
83 HE3 LYS 10 1HE LYS 10 -11.968 -7.620 -2.299
84 HZ1 LYS 10 3HZ LYS 10 -14.080 -8.299 -2.729
85 HZ2 LYS 10 1HZ LYS 10 -14.576 -6.797 -3.340
86 HZ3 LYS 10 2HZ LYS 10 -14.429 -7.023 -1.662
87 HA PRO 11 HA PRO 11 -13.760 1.030 -4.712
88 HB2 PRO 11 2HB PRO 11 -15.839 1.423 -2.986
89 HB3 PRO 11 1HB PRO 11 -15.986 0.540 -4.515
90 HG2 PRO 11 2HG PRO 11 -16.048 -0.519 -1.752
91 HG3 PRO 11 1HG PRO 11 -16.607 -1.277 -3.250
92 HD2 PRO 11 2HD PRO 11 -14.120 -1.750 -1.837
93 HD3 PRO 11 1HD PRO 11 -14.713 -2.548 -3.311
94 HA PRO 12 HA PRO 12 -12.442 2.429 -0.270
95 HB2 PRO 12 2HB PRO 12 -9.755 1.968 -0.118
96 HB3 PRO 12 1HB PRO 12 -10.980 0.878 0.541
97 HG2 PRO 12 2HG PRO 12 -9.330 0.542 -1.922
98 HG3 PRO 12 1HG PRO 12 -10.076 -0.684 -0.893
99 HD2 PRO 12 2HD PRO 12 -11.053 0.207 -3.378
100 HD3 PRO 12 1HD PRO 12 -11.946 -0.755 -2.187
101 H THR 13 H THR 13 -10.171 3.982 0.059
102 HA THR 13 HA THR 13 -9.869 5.501 -2.488
103 HB THR 13 HB THR 13 -11.768 6.457 -1.132
104 HG1 THR 13 1HG THR 13 -11.115 8.479 -1.570
105 HG21 THR 13 3HG2 THR 13 -9.497 6.916 0.814
106 HG22 THR 13 1HG2 THR 13 -10.984 6.013 1.101
107 HG23 THR 13 2HG2 THR 13 -11.039 7.765 0.906
108 H THR 14 H THR 14 -8.558 7.721 -1.324
109 HA THR 14 HA THR 14 -5.946 6.500 -0.748
110 HB THR 14 HB THR 14 -5.108 8.838 -0.927
111 HG1 THR 14 1HG THR 14 -6.921 9.944 -0.242
112 HG21 THR 14 3HG2 THR 14 -4.926 7.933 -3.000
113 HG22 THR 14 1HG2 THR 14 -6.213 9.076 -3.382
114 HG23 THR 14 2HG2 THR 14 -6.605 7.394 -3.028
115 H GLU 15 H GLU 15 -4.638 8.054 0.874
116 HA GLU 15 HA GLU 15 -6.231 8.856 3.210
117 HB2 GLU 15 2HB GLU 15 -5.363 7.305 4.770
118 HB3 GLU 15 1HB GLU 15 -5.769 6.314 3.371
119 HG2 GLU 15 2HG GLU 15 -3.609 5.569 3.888
120 HG3 GLU 15 1HG GLU 15 -3.292 6.785 2.648
121 H THR 16 H THR 16 -4.906 10.069 4.757
122 HA THR 16 HA THR 16 -2.462 11.155 3.435
123 HB THR 16 HB THR 16 -3.353 12.583 5.821
124 HG1 THR 16 1HG THR 16 -5.393 11.993 5.360
125 HG21 THR 16 3HG2 THR 16 -1.953 13.221 3.646
126 HG22 THR 16 1HG2 THR 16 -2.903 14.428 4.513
127 HG23 THR 16 2HG2 THR 16 -3.549 13.681 3.052
128 H CYS 17 H CYS 17 -0.494 10.932 4.396
129 HA CYS 17 HA CYS 17 -0.362 9.993 7.219
130 HB2 CYS 17 2HB CYS 17 0.471 8.534 4.780
131 HB3 CYS 17 1HB CYS 17 1.650 8.556 6.088
132 H GLN 18 H GLN 18 2.195 9.857 7.721
133 HA GLN 18 HA GLN 18 3.249 12.520 6.955
134 HB2 GLN 18 2HB GLN 18 3.291 11.873 9.341
135 HB3 GLN 18 1HB GLN 18 4.317 10.503 8.943
136 HG2 GLN 18 2HG GLN 18 5.628 12.506 9.701
137 HG3 GLN 18 1HG GLN 18 6.047 11.966 8.080
138 HE21 GLN 18 1HE2 GLN 18 5.101 13.206 6.231
139 HE22 GLN 18 2HE2 GLN 18 4.634 14.823 6.447
140 H GLU 19 H GLU 19 3.996 9.106 6.782
141 HA GLU 19 HA GLU 19 6.635 9.436 5.701
142 HB2 GLU 19 2HB GLU 19 5.391 7.072 4.599
143 HB3 GLU 19 1HB GLU 19 6.726 7.190 5.737
144 HG2 GLU 19 2HG GLU 19 3.781 7.313 6.464
145 HG3 GLU 19 1HG GLU 19 4.842 5.925 6.702
146 H ASP 20 H ASP 20 7.185 10.195 3.746
147 HA ASP 20 HA ASP 20 5.115 10.828 1.828
148 HB2 ASP 20 2HB ASP 20 7.540 10.969 0.420
149 HB3 ASP 20 1HB ASP 20 6.667 12.310 1.151
150 H SER 21 H SER 21 6.753 8.007 2.579
151 HA SER 21 HA SER 21 6.779 6.970 -0.146
152 HB2 SER 21 2HB SER 21 6.943 5.053 2.091
153 HB3 SER 21 1HB SER 21 8.005 5.242 0.704
154 HG SER 21 HG SER 21 8.577 7.320 1.885
155 H CYS 22 H CYS 22 5.419 4.943 -0.627
156 HA CYS 22 HA CYS 22 2.929 4.832 1.007
157 HB2 CYS 22 2HB CYS 22 2.797 4.725 -2.000
158 HB3 CYS 22 1HB CYS 22 1.506 5.059 -0.854
159 H TYR 23 H TYR 23 2.212 2.660 1.232
160 HA TYR 23 HA TYR 23 3.911 0.719 -0.258
161 HB2 TYR 23 2HB TYR 23 3.785 -0.810 1.533
162 HB3 TYR 23 1HB TYR 23 4.091 0.746 2.279
163 HD1 TYR 23 1HD TYR 23 1.225 -1.467 1.273
164 HD2 TYR 23 2HD TYR 23 2.744 1.431 4.058
165 HE1 TYR 23 1HE TYR 23 -0.796 -1.759 2.674
166 HE2 TYR 23 2HE TYR 23 0.717 1.145 5.456
167 HH TYR 23 HH TYR 23 -1.628 0.391 5.161
168 H LYS 24 H LYS 24 3.023 -0.640 -1.562
169 HA LYS 24 HA LYS 24 0.111 -1.219 -1.432
170 HB2 LYS 24 2HB LYS 24 0.047 -0.854 -3.918
171 HB3 LYS 24 1HB LYS 24 0.358 0.616 -3.001
172 HG2 LYS 24 2HG LYS 24 2.765 -0.934 -3.633
173 HG3 LYS 24 1HG LYS 24 1.925 -0.285 -5.021
174 HD2 LYS 24 2HD LYS 24 1.827 1.887 -3.448
175 HD3 LYS 24 1HD LYS 24 3.281 1.141 -2.792
176 HE2 LYS 24 2HE LYS 24 3.485 2.824 -4.799
177 HE3 LYS 24 1HE LYS 24 4.461 1.356 -4.791
178 HZ1 LYS 24 3HZ LYS 24 1.791 1.351 -6.035
179 HZ2 LYS 24 1HZ LYS 24 3.125 0.356 -6.361
180 HZ3 LYS 24 2HZ LYS 24 3.124 1.970 -6.888
181 H ASN 25 H ASN 25 1.043 -3.154 -0.571
182 HA ASN 25 HA ASN 25 2.365 -4.890 -2.605
183 HB2 ASN 25 2HB ASN 25 2.781 -6.183 -0.241
184 HB3 ASN 25 1HB ASN 25 3.879 -5.032 -0.962
185 HD21 ASN 25 1HD2 ASN 25 3.174 -2.593 -0.366
186 HD22 ASN 25 2HD2 ASN 25 2.823 -2.363 1.279
187 H ILE 26 H ILE 26 2.023 -7.299 -2.087
188 HA ILE 26 HA ILE 26 -0.859 -7.814 -2.247
189 HB ILE 26 HB ILE 26 -0.259 -9.917 -3.120
190 HG12 ILE 26 2HG1 ILE 26 1.302 -10.443 -1.145
191 HG13 ILE 26 1HG1 ILE 26 1.774 -11.086 -2.712
192 HG21 ILE 26 1HG2 ILE 26 1.430 -9.433 -4.790
193 HG22 ILE 26 2HG2 ILE 26 2.093 -8.135 -3.796
194 HG23 ILE 26 3HG2 ILE 26 0.487 -7.971 -4.505
195 HD11 ILE 26 3HD1 ILE 26 3.193 -8.959 -2.984
196 HD12 ILE 26 1HD1 ILE 26 3.760 -10.146 -1.813
197 HD13 ILE 26 2HD1 ILE 26 2.924 -8.697 -1.263
198 H TRP 27 H TRP 27 1.728 -8.275 0.073
199 HA TRP 27 HA TRP 27 0.661 -10.315 1.680
200 HB2 TRP 27 2HB TRP 27 2.094 -7.805 2.579
201 HB3 TRP 27 1HB TRP 27 1.920 -9.282 3.530
202 HD1 TRP 27 HD TRP 27 3.721 -7.881 0.472
203 HE1 TRP 27 1HE TRP 27 5.618 -9.501 -0.202
204 HE3 TRP 27 3HE TRP 27 2.706 -11.773 3.615
205 HZ2 TRP 27 2HZ TRP 27 6.559 -12.106 0.496
206 HZ3 TRP 27 3HZ TRP 27 4.113 -13.812 3.585
207 HH2 TRP 27 HH TRP 27 6.037 -13.983 2.031
208 H THR 28 H THR 28 -1.434 -10.393 2.326
209 HA THR 28 HA THR 28 -2.460 -8.254 4.041
210 HB THR 28 HB THR 28 -2.917 -7.620 1.582
211 HG1 THR 28 1HG THR 28 -5.369 -7.509 2.447
212 HG21 THR 28 3HG2 THR 28 -3.644 -10.063 1.104
213 HG22 THR 28 1HG2 THR 28 -4.611 -8.764 0.406
214 HG23 THR 28 2HG2 THR 28 -5.174 -9.604 1.851
215 H PHE 29 H PHE 29 -5.209 -9.086 3.880
216 HA PHE 29 HA PHE 29 -4.922 -11.848 4.989
217 HB2 PHE 29 2HB PHE 29 -6.504 -9.472 5.796
218 HB3 PHE 29 1HB PHE 29 -7.331 -11.024 5.926
219 HD1 PHE 29 2HD PHE 29 -3.694 -10.271 6.317
220 HD2 PHE 29 1HD PHE 29 -7.335 -11.486 8.245
221 HE1 PHE 29 2HE PHE 29 -2.428 -10.778 8.388
222 HE2 PHE 29 1HE PHE 29 -6.070 -11.991 10.316
223 HZ PHE 29 HZ PHE 29 -3.616 -11.637 10.389
224 H ASP 30 H ASP 30 -8.053 -10.466 4.289
225 HA ASP 30 HA ASP 30 -8.709 -12.716 2.573
226 HB2 ASP 30 2HB ASP 30 -10.869 -11.407 2.243
227 HB3 ASP 30 1HB ASP 30 -10.483 -11.817 3.915
228 H ASN 31 H ASN 31 -8.402 -9.198 2.009
229 HA ASN 31 HA ASN 31 -8.724 -9.386 -0.839
230 HB2 ASN 31 2HB ASN 31 -8.161 -7.328 1.112
231 HB3 ASN 31 1HB ASN 31 -7.083 -7.155 -0.272
232 HD21 ASN 31 1HD2 ASN 31 -8.642 -7.937 -2.417
233 HD22 ASN 31 2HD2 ASN 31 -10.015 -6.947 -2.551
234 H ILE 32 H ILE 32 -6.434 -8.003 -1.808
235 HA ILE 32 HA ILE 32 -4.242 -9.966 -1.292
236 HB ILE 32 HB ILE 32 -4.722 -8.856 -4.042
237 HG12 ILE 32 2HG1 ILE 32 -6.864 -9.843 -3.471
238 HG13 ILE 32 1HG1 ILE 32 -6.007 -10.980 -4.512
239 HG21 ILE 32 1HG2 ILE 32 -2.607 -10.044 -3.469
240 HG22 ILE 32 2HG2 ILE 32 -3.544 -10.898 -4.696
241 HG23 ILE 32 3HG2 ILE 32 -3.554 -11.466 -3.027
242 HD11 ILE 32 3HD1 ILE 32 -5.249 -11.488 -1.797
243 HD12 ILE 32 1HD1 ILE 32 -6.108 -12.552 -2.911
244 HD13 ILE 32 2HD1 ILE 32 -7.009 -11.434 -1.887
245 H ILE 33 H ILE 33 -4.709 -7.034 -3.312
246 HA ILE 33 HA ILE 33 -2.064 -6.073 -2.467
247 HB ILE 33 HB ILE 33 -3.926 -4.304 -3.973
248 HG12 ILE 33 2HG1 ILE 33 -4.414 -6.417 -5.007
249 HG13 ILE 33 1HG1 ILE 33 -3.338 -5.531 -6.082
250 HG21 ILE 33 1HG2 ILE 33 -1.027 -5.071 -4.395
251 HG22 ILE 33 2HG2 ILE 33 -1.565 -3.711 -3.408
252 HG23 ILE 33 3HG2 ILE 33 -1.883 -3.721 -5.142
253 HD11 ILE 33 3HD1 ILE 33 -1.904 -7.175 -4.118
254 HD12 ILE 33 1HD1 ILE 33 -1.681 -7.061 -5.864
255 HD13 ILE 33 2HD1 ILE 33 -2.925 -8.121 -5.202
256 H ARG 34 H ARG 34 -1.726 -4.122 -1.298
257 HA ARG 34 HA ARG 34 -4.134 -2.813 -0.197
258 HB2 ARG 34 2HB ARG 34 -3.517 -4.618 1.427
259 HB3 ARG 34 1HB ARG 34 -1.965 -3.803 1.657
260 HG2 ARG 34 2HG ARG 34 -2.908 -2.010 2.737
261 HG3 ARG 34 1HG ARG 34 -4.414 -2.132 1.847
262 HD2 ARG 34 2HD ARG 34 -4.420 -2.782 4.368
263 HD3 ARG 34 1HD ARG 34 -5.251 -3.837 3.226
264 HE ARG 34 HE ARG 34 -2.570 -4.748 3.455
265 HH11 ARG 34 1HH2 ARG 34 -5.439 -5.985 4.053
266 HH12 ARG 34 2HH2 ARG 34 -5.125 -6.635 5.627
267 HH21 ARG 34 1HH1 ARG 34 -2.156 -4.892 6.044
268 HH22 ARG 34 2HH1 ARG 34 -3.266 -6.017 6.754
269 H ARG 35 H ARG 35 -3.832 -0.747 -0.554
270 HA ARG 35 HA ARG 35 -1.124 0.383 -0.804
271 HB2 ARG 35 2HB ARG 35 -3.767 1.809 -1.131
272 HB3 ARG 35 1HB ARG 35 -2.188 2.335 -1.709
273 HG2 ARG 35 2HG ARG 35 -2.077 0.600 -3.327
274 HG3 ARG 35 1HG ARG 35 -3.408 -0.285 -2.583
275 HD2 ARG 35 2HD ARG 35 -4.919 0.852 -3.801
276 HD3 ARG 35 1HD ARG 35 -4.250 2.395 -3.273
277 HE ARG 35 HE ARG 35 -3.024 2.503 -5.298
278 HH11 ARG 35 1HH1 ARG 35 -2.491 -0.626 -4.688
279 HH12 ARG 35 2HH1 ARG 35 -2.882 -1.247 -6.257
280 HH21 ARG 35 1HH2 ARG 35 -4.327 1.708 -7.357
281 HH22 ARG 35 2HH2 ARG 35 -3.923 0.075 -7.769
282 H GLY 36 H GLY 36 -0.268 1.931 0.579
283 HA2 GLY 36 2HA GLY 36 -1.870 2.997 2.793
284 HA3 GLY 36 1HA GLY 36 -0.609 1.869 3.269
285 H CYS 37 H CYS 37 0.485 3.589 4.373
286 HA CYS 37 HA CYS 37 1.905 5.464 2.524
287 HB2 CYS 37 2HB CYS 37 2.019 6.903 4.726
288 HB3 CYS 37 1HB CYS 37 0.563 6.935 3.734
289 H GLY 38 H GLY 38 4.038 4.885 2.459
290 HA2 GLY 38 2HA GLY 38 6.162 4.836 3.725
291 HA3 GLY 38 1HA GLY 38 5.298 3.982 5.003
292 H CYS 39 H CYS 39 6.989 2.306 4.669
293 HA CYS 39 HA CYS 39 6.479 0.674 2.228
294 HB2 CYS 39 2HB CYS 39 8.801 0.548 4.179
295 HB3 CYS 39 1HB CYS 39 8.619 -0.444 2.732
296 H PHE 40 H PHE 40 6.701 -1.736 2.672
297 HA PHE 40 HA PHE 40 4.635 -2.528 4.494
298 HB2 PHE 40 2HB PHE 40 5.927 -4.876 4.019
299 HB3 PHE 40 1HB PHE 40 4.783 -4.157 2.890
300 HD1 PHE 40 2HD PHE 40 8.358 -4.626 3.680
301 HD2 PHE 40 1HD PHE 40 5.508 -3.083 0.874
302 HE1 PHE 40 2HE PHE 40 10.173 -4.310 2.008
303 HE2 PHE 40 1HE PHE 40 7.312 -2.759 -0.796
304 HZ PHE 40 HZ PHE 40 9.653 -3.373 -0.229
305 H THR 41 H THR 41 5.243 -4.500 6.050
306 HA THR 41 HA THR 41 7.066 -3.303 8.015
307 HB THR 41 HB THR 41 5.561 -5.848 8.503
308 HG1 THR 41 1HG THR 41 4.069 -4.419 7.602
309 HG21 THR 41 3HG2 THR 41 7.156 -4.964 10.180
310 HG22 THR 41 1HG2 THR 41 5.495 -4.953 10.772
311 HG23 THR 41 2HG2 THR 41 6.244 -3.454 10.221
312 HA PRO 42 HA PRO 42 9.254 -7.458 7.603
313 HB2 PRO 42 2HB PRO 42 8.395 -9.240 5.693
314 HB3 PRO 42 1HB PRO 42 7.747 -9.182 7.342
315 HG2 PRO 42 2HG PRO 42 6.458 -8.351 4.813
316 HG3 PRO 42 1HG PRO 42 5.716 -8.711 6.381
317 HD2 PRO 42 2HD PRO 42 6.296 -6.131 5.247
318 HD3 PRO 42 1HD PRO 42 5.548 -6.462 6.820
319 H ARG 43 H ARG 43 9.761 -5.118 6.104
320 HA ARG 43 HA ARG 43 10.395 -5.485 3.382
321 HB2 ARG 43 2HB ARG 43 10.735 -3.295 3.929
322 HB3 ARG 43 1HB ARG 43 11.300 -3.668 5.550
323 HG2 ARG 43 2HG ARG 43 13.161 -2.734 4.334
324 HG3 ARG 43 1HG ARG 43 13.471 -4.461 4.493
325 HD2 ARG 43 2HD ARG 43 12.465 -4.785 2.210
326 HD3 ARG 43 1HD ARG 43 12.366 -3.030 2.061
327 HE ARG 43 HE ARG 43 14.653 -4.411 1.389
328 HH11 ARG 43 1HH1 ARG 43 15.533 -4.106 4.227
329 HH12 ARG 43 2HH1 ARG 43 16.354 -2.581 4.198
330 HH21 ARG 43 1HH2 ARG 43 14.967 -1.592 1.178
331 HH22 ARG 43 2HH2 ARG 43 16.033 -1.159 2.471
332 H GLY 44 H GLY 44 11.995 -6.592 2.335
333 HA2 GLY 44 2HA GLY 44 14.553 -7.183 3.290
334 HA3 GLY 44 1HA GLY 44 13.526 -8.527 3.785
335 H ASP 45 H ASP 45 15.195 -9.571 2.203
336 HA ASP 45 HA ASP 45 14.461 -9.169 -0.635
337 HB2 ASP 45 2HB ASP 45 16.530 -11.013 0.595
338 HB3 ASP 45 1HB ASP 45 16.354 -10.639 -1.121
339 H MET 46 H MET 46 13.189 -10.919 1.859
340 HA MET 46 HA MET 46 12.826 -13.439 0.408
341 HB2 MET 46 2HB MET 46 12.521 -12.581 3.115
342 HB3 MET 46 1HB MET 46 10.980 -13.246 2.569
343 HG2 MET 46 2HG MET 46 13.387 -14.782 1.775
344 HG3 MET 46 1HG MET 46 13.020 -14.780 3.499
345 HE1 MET 46 3HE MET 46 10.901 -14.964 4.427
346 HE2 MET 46 1HE MET 46 11.083 -16.723 4.449
347 HE3 MET 46 2HE MET 46 9.574 -15.997 3.901
348 HA PRO 47 HA PRO 47 8.433 -11.775 -0.126
349 HB2 PRO 47 2HB PRO 47 7.746 -9.413 1.087
350 HB3 PRO 47 1HB PRO 47 7.647 -10.979 1.901
351 HG2 PRO 47 2HG PRO 47 9.589 -8.784 2.330
352 HG3 PRO 47 1HG PRO 47 9.139 -10.111 3.413
353 HD2 PRO 47 2HD PRO 47 11.473 -9.928 1.758
354 HD3 PRO 47 1HD PRO 47 10.991 -11.291 2.785
355 H GLY 48 H GLY 48 7.450 -10.110 -1.620
356 HA2 GLY 48 2HA GLY 48 9.424 -8.129 -2.592
357 HA3 GLY 48 1HA GLY 48 8.645 -9.211 -3.739
358 HA PRO 49 HA PRO 49 5.080 -6.504 -2.199
359 HB2 PRO 49 2HB PRO 49 5.478 -4.909 -0.015
360 HB3 PRO 49 1HB PRO 49 4.957 -6.586 0.100
361 HG2 PRO 49 2HG PRO 49 7.621 -5.429 0.714
362 HG3 PRO 49 1HG PRO 49 6.866 -6.894 1.346
363 HD2 PRO 49 2HD PRO 49 8.851 -6.779 -0.678
364 HD3 PRO 49 1HD PRO 49 7.877 -8.180 -0.220
365 H TYR 50 H TYR 50 4.808 -3.763 -1.693
366 HA TYR 50 HA TYR 50 6.988 -2.543 -3.318
367 HB2 TYR 50 2HB TYR 50 4.033 -2.520 -3.775
368 HB3 TYR 50 1HB TYR 50 4.981 -1.113 -4.255
369 HD1 TYR 50 2HD TYR 50 7.292 -1.758 -5.489
370 HD2 TYR 50 1HD TYR 50 3.762 -4.202 -5.353
371 HE1 TYR 50 2HE TYR 50 8.046 -2.961 -7.522
372 HE2 TYR 50 1HE TYR 50 4.515 -5.404 -7.386
373 HH TYR 50 HH TYR 50 6.402 -4.462 -9.481
374 H CYS 51 H CYS 51 7.275 -0.324 -3.105
375 HA CYS 51 HA CYS 51 5.881 1.246 -1.000
376 HB2 CYS 51 2HB CYS 51 7.993 -0.010 -0.022
377 HB3 CYS 51 1HB CYS 51 8.886 1.157 -0.990
378 H CYS 52 H CYS 52 5.803 3.315 -1.763
379 HA CYS 52 HA CYS 52 7.665 4.045 -3.986
380 HB2 CYS 52 2HB CYS 52 5.480 3.509 -4.951
381 HB3 CYS 52 1HB CYS 52 4.697 4.648 -3.865
382 H GLU 53 H GLU 53 7.879 6.398 -4.230
383 HA GLU 53 HA GLU 53 7.423 7.775 -1.618
384 HB2 GLU 53 2HB GLU 53 9.646 8.511 -3.502
385 HB3 GLU 53 1HB GLU 53 9.505 8.823 -1.769
386 HG2 GLU 53 2HG GLU 53 9.808 6.487 -1.250
387 HG3 GLU 53 1HG GLU 53 9.741 6.049 -2.958
388 H SER 54 H SER 54 5.400 7.946 -3.342
389 HA SER 54 HA SER 54 5.509 10.788 -4.177
390 HB2 SER 54 2HB SER 54 3.975 9.183 -6.069
391 HB3 SER 54 1HB SER 54 5.224 10.383 -6.387
392 HG SER 54 HG SER 54 6.547 8.799 -6.717
393 H ASP 55 H ASP 55 3.347 11.750 -4.116
394 HA ASP 55 HA ASP 55 1.651 10.491 -2.154
395 HB2 ASP 55 2HB ASP 55 0.724 12.691 -3.987
396 HB3 ASP 55 1HB ASP 55 0.258 12.379 -2.321
397 H LYS 56 H LYS 56 -0.384 9.524 -2.457
398 HA LYS 56 HA LYS 56 -1.755 7.954 -3.570
399 HB2 LYS 56 2HB LYS 56 -1.733 10.003 -5.798
400 HB3 LYS 56 1HB LYS 56 -3.049 8.930 -5.317
401 HG2 LYS 56 2HG LYS 56 -2.120 10.633 -3.121
402 HG3 LYS 56 1HG LYS 56 -2.738 11.557 -4.490
403 HD2 LYS 56 2HD LYS 56 -4.555 9.453 -4.205
404 HD3 LYS 56 1HD LYS 56 -4.194 9.947 -2.550
405 HE2 LYS 56 2HE LYS 56 -5.743 11.567 -2.913
406 HE3 LYS 56 1HE LYS 56 -4.456 12.373 -3.809
407 HZ1 LYS 56 3HZ LYS 56 -6.019 10.352 -5.221
408 HZ2 LYS 56 1HZ LYS 56 -5.347 11.799 -5.796
409 HZ3 LYS 56 2HZ LYS 56 -6.785 11.832 -4.892
410 H CYS 57 H CYS 57 1.082 7.599 -3.957
411 HA CYS 57 HA CYS 57 1.554 7.033 -6.782
412 HB2 CYS 57 2HB CYS 57 3.334 7.706 -5.110
413 HB3 CYS 57 1HB CYS 57 3.167 6.105 -4.393
414 H ASN 58 H ASN 58 0.226 5.290 -4.086
415 HA ASN 58 HA ASN 58 0.846 2.630 -4.810
416 HB2 ASN 58 2HB ASN 58 -1.891 3.283 -3.800
417 HB3 ASN 58 1HB ASN 58 -0.803 1.992 -3.310
418 HD21 ASN 58 1HD2 ASN 58 -0.198 2.350 -1.194
419 HD22 ASN 58 2HD2 ASN 58 0.151 3.852 -0.498
420 H LEU 59 H LEU 59 -1.043 4.950 -6.454
421 HA LEU 59 HA LEU 59 -2.796 3.029 -7.769
422 HB2 LEU 59 2HB LEU 59 -2.824 5.784 -7.419
423 HB3 LEU 59 1HB LEU 59 -2.439 5.599 -9.131
424 HG LEU 59 HG LEU 59 -4.880 5.681 -8.784
425 HD11 LEU 59 1HD1 LEU 59 -5.053 2.997 -9.525
426 HD12 LEU 59 2HD1 LEU 59 -3.417 3.463 -9.991
427 HD13 LEU 59 3HD1 LEU 59 -4.802 4.360 -10.616
428 HD21 LEU 59 3HD2 LEU 59 -5.495 3.211 -7.656
429 HD22 LEU 59 1HD2 LEU 59 -5.634 4.774 -6.851
430 HD23 LEU 59 2HD2 LEU 59 -4.173 3.806 -6.652
Start of MODEL 15
1 H1 ARG 1 1HT ARG 1 2.795 13.877 4.604
2 H2 ARG 1 2HT ARG 1 1.872 12.463 4.793
3 H3 ARG 1 3HT ARG 1 1.102 13.971 4.647
4 HA ARG 1 HA ARG 1 1.914 14.201 2.395
5 HB2 ARG 1 2HB ARG 1 3.818 12.399 3.182
6 HB3 ARG 1 1HB ARG 1 2.741 11.374 2.231
7 HG2 ARG 1 2HG ARG 1 3.009 13.785 0.783
8 HG3 ARG 1 1HG ARG 1 4.634 13.343 1.308
9 HD2 ARG 1 2HD ARG 1 3.692 10.915 0.523
10 HD3 ARG 1 1HD ARG 1 2.824 11.964 -0.591
11 HE ARG 1 HE ARG 1 5.270 11.255 -1.274
12 HH11 ARG 1 1HH2 ARG 1 3.897 14.284 -0.783
13 HH12 ARG 1 2HH2 ARG 1 5.382 15.165 -0.890
14 HH21 ARG 1 1HH1 ARG 1 7.376 12.332 -0.932
15 HH22 ARG 1 2HH1 ARG 1 7.349 14.062 -0.977
16 H ILE 2 H ILE 2 1.072 12.460 0.534
17 HA ILE 2 HA ILE 2 -1.405 11.185 1.632
18 HB ILE 2 HB ILE 2 -1.269 12.752 -0.953
19 HG12 ILE 2 2HG1 ILE 2 -3.011 13.848 1.055
20 HG13 ILE 2 1HG1 ILE 2 -1.390 13.636 1.720
21 HG21 ILE 2 1HG2 ILE 2 -3.660 11.714 0.602
22 HG22 ILE 2 2HG2 ILE 2 -2.926 10.839 -0.741
23 HG23 ILE 2 3HG2 ILE 2 -3.661 12.418 -1.016
24 HD11 ILE 2 3HD1 ILE 2 -1.454 15.823 0.704
25 HD12 ILE 2 1HD1 ILE 2 -2.150 15.166 -0.778
26 HD13 ILE 2 2HD1 ILE 2 -0.485 14.783 -0.340
27 H CYS 3 H CYS 3 -1.211 9.042 1.183
28 HA CYS 3 HA CYS 3 -0.018 8.401 -1.459
29 HB2 CYS 3 2HB CYS 3 -0.076 6.731 1.065
30 HB3 CYS 3 1HB CYS 3 0.490 6.136 -0.494
31 H TYR 4 H TYR 4 -0.932 5.728 -1.667
32 HA TYR 4 HA TYR 4 -3.815 6.311 -2.045
33 HB2 TYR 4 2HB TYR 4 -1.850 4.661 -3.506
34 HB3 TYR 4 1HB TYR 4 -3.450 3.947 -3.348
35 HD1 TYR 4 2HD TYR 4 -5.483 5.523 -3.896
36 HD2 TYR 4 1HD TYR 4 -1.445 6.238 -5.174
37 HE1 TYR 4 2HE TYR 4 -6.312 7.012 -5.698
38 HE2 TYR 4 1HE TYR 4 -2.273 7.723 -6.975
39 HH TYR 4 HH TYR 4 -5.728 8.496 -7.274
40 H ASN 5 H ASN 5 -5.405 4.993 -1.154
41 HA ASN 5 HA ASN 5 -4.444 2.947 0.804
42 HB2 ASN 5 2HB ASN 5 -5.560 4.822 1.899
43 HB3 ASN 5 1HB ASN 5 -6.944 4.664 0.819
44 HD21 ASN 5 1HD2 ASN 5 -5.285 1.812 2.088
45 HD22 ASN 5 2HD2 ASN 5 -6.543 1.320 3.114
46 H HIS 6 H HIS 6 -5.535 2.958 -2.212
47 HA HIS 6 HA HIS 6 -7.933 1.429 -2.177
48 HB2 HIS 6 2HB HIS 6 -7.519 2.183 -4.282
49 HB3 HIS 6 1HB HIS 6 -5.784 1.940 -4.169
50 HD1 HIS 6 1HD HIS 6 -5.482 0.496 -6.252
51 HD2 HIS 6 2HD HIS 6 -8.425 -0.983 -3.701
52 HE1 HIS 6 1HE HIS 6 -6.105 -1.795 -7.132
53 H LEU 7 H LEU 7 -8.348 -0.628 -1.809
54 HA LEU 7 HA LEU 7 -6.068 -2.432 -1.122
55 HB2 LEU 7 2HB LEU 7 -8.953 -2.350 -0.231
56 HB3 LEU 7 1HB LEU 7 -7.933 -3.764 0.039
57 HG LEU 7 HG LEU 7 -6.373 -1.568 0.839
58 HD11 LEU 7 1HD1 LEU 7 -7.685 -0.144 2.098
59 HD12 LEU 7 2HD1 LEU 7 -8.936 -1.359 2.365
60 HD13 LEU 7 3HD1 LEU 7 -8.831 -0.526 0.813
61 HD21 LEU 7 3HD2 LEU 7 -7.977 -3.653 2.340
62 HD22 LEU 7 1HD2 LEU 7 -6.853 -2.557 3.144
63 HD23 LEU 7 2HD2 LEU 7 -6.261 -3.698 1.935
64 H GLY 8 H GLY 8 -5.635 -4.060 -2.498
65 HA2 GLY 8 2HA GLY 8 -6.054 -4.915 -4.817
66 HA3 GLY 8 1HA GLY 8 -6.551 -6.105 -3.625
67 H THR 9 H THR 9 -8.813 -6.417 -3.246
68 HA THR 9 HA THR 9 -10.479 -5.671 -5.567
69 HB THR 9 HB THR 9 -11.978 -7.180 -3.691
70 HG1 THR 9 1HG THR 9 -10.562 -8.387 -2.758
71 HG21 THR 9 3HG2 THR 9 -10.668 -7.608 -6.348
72 HG22 THR 9 1HG2 THR 9 -12.379 -7.653 -5.923
73 HG23 THR 9 2HG2 THR 9 -11.329 -9.006 -5.502
74 H LYS 10 H LYS 10 -10.309 -5.026 -2.100
75 HA LYS 10 HA LYS 10 -12.842 -3.956 -1.594
76 HB2 LYS 10 2HB LYS 10 -10.216 -3.802 -0.431
77 HB3 LYS 10 1HB LYS 10 -10.954 -2.204 -0.387
78 HG2 LYS 10 2HG LYS 10 -11.471 -3.677 1.619
79 HG3 LYS 10 1HG LYS 10 -12.890 -3.048 0.783
80 HD2 LYS 10 2HD LYS 10 -12.169 -5.482 -0.503
81 HD3 LYS 10 1HD LYS 10 -12.167 -5.784 1.235
82 HE2 LYS 10 2HE LYS 10 -14.433 -4.214 0.835
83 HE3 LYS 10 1HE LYS 10 -14.421 -5.300 -0.554
84 HZ1 LYS 10 3HZ LYS 10 -14.865 -5.882 2.231
85 HZ2 LYS 10 1HZ LYS 10 -13.773 -6.941 1.481
86 HZ3 LYS 10 2HZ LYS 10 -15.339 -6.750 0.850
87 HA PRO 11 HA PRO 11 -13.178 -0.200 -3.833
88 HB2 PRO 11 2HB PRO 11 -13.744 1.747 -1.963
89 HB3 PRO 11 1HB PRO 11 -14.909 0.530 -2.511
90 HG2 PRO 11 2HG PRO 11 -13.404 0.666 0.062
91 HG3 PRO 11 1HG PRO 11 -14.974 -0.078 -0.283
92 HD2 PRO 11 2HD PRO 11 -12.540 -1.454 -0.005
93 HD3 PRO 11 1HD PRO 11 -14.018 -2.120 -0.727
94 HA PRO 12 HA PRO 12 -9.106 1.541 -3.667
95 HB2 PRO 12 2HB PRO 12 -9.321 3.026 -5.971
96 HB3 PRO 12 1HB PRO 12 -9.042 1.276 -5.951
97 HG2 PRO 12 2HG PRO 12 -11.540 2.771 -6.598
98 HG3 PRO 12 1HG PRO 12 -11.018 1.168 -7.143
99 HD2 PRO 12 2HD PRO 12 -12.914 1.692 -5.109
100 HD3 PRO 12 1HD PRO 12 -12.143 0.126 -5.439
101 H THR 13 H THR 13 -8.640 3.154 -2.247
102 HA THR 13 HA THR 13 -9.738 5.864 -2.767
103 HB THR 13 HB THR 13 -11.175 5.600 -1.020
104 HG1 THR 13 1HG THR 13 -10.276 6.321 0.824
105 HG21 THR 13 3HG2 THR 13 -9.382 3.392 0.032
106 HG22 THR 13 1HG2 THR 13 -10.833 3.160 -0.943
107 HG23 THR 13 2HG2 THR 13 -10.963 3.823 0.686
108 H THR 14 H THR 14 -8.260 7.510 -2.156
109 HA THR 14 HA THR 14 -5.526 6.669 -1.984
110 HB THR 14 HB THR 14 -5.061 9.120 -1.575
111 HG1 THR 14 1HG THR 14 -6.736 10.108 -0.782
112 HG21 THR 14 3HG2 THR 14 -6.741 8.166 -3.892
113 HG22 THR 14 1HG2 THR 14 -4.994 8.396 -3.827
114 HG23 THR 14 2HG2 THR 14 -6.067 9.795 -3.843
115 H GLU 15 H GLU 15 -4.230 8.106 -0.139
116 HA GLU 15 HA GLU 15 -5.510 7.694 2.500
117 HB2 GLU 15 2HB GLU 15 -3.979 5.668 1.474
118 HB3 GLU 15 1HB GLU 15 -2.763 6.612 2.333
119 HG2 GLU 15 2HG GLU 15 -5.321 6.134 3.774
120 HG3 GLU 15 1HG GLU 15 -4.269 4.736 3.553
121 H THR 16 H THR 16 -4.600 9.042 4.097
122 HA THR 16 HA THR 16 -2.373 10.798 3.151
123 HB THR 16 HB THR 16 -3.862 12.158 5.150
124 HG1 THR 16 1HG THR 16 -5.680 11.045 4.772
125 HG21 THR 16 3HG2 THR 16 -2.585 12.780 2.867
126 HG22 THR 16 1HG2 THR 16 -3.760 13.860 3.618
127 HG23 THR 16 2HG2 THR 16 -4.245 12.823 2.277
128 H CYS 17 H CYS 17 -0.611 10.686 4.433
129 HA CYS 17 HA CYS 17 -0.960 10.055 7.324
130 HB2 CYS 17 2HB CYS 17 0.490 8.219 7.291
131 HB3 CYS 17 1HB CYS 17 -0.374 8.006 5.769
132 H GLN 18 H GLN 18 1.728 9.851 7.950
133 HA GLN 18 HA GLN 18 2.685 12.613 7.405
134 HB2 GLN 18 2HB GLN 18 2.623 11.885 9.769
135 HB3 GLN 18 1HB GLN 18 3.713 10.561 9.379
136 HG2 GLN 18 2HG GLN 18 4.907 12.591 10.271
137 HG3 GLN 18 1HG GLN 18 5.444 12.094 8.673
138 HE21 GLN 18 1HE2 GLN 18 4.588 13.349 6.786
139 HE22 GLN 18 2HE2 GLN 18 4.050 14.943 6.997
140 H GLU 19 H GLU 19 3.547 9.225 7.167
141 HA GLU 19 HA GLU 19 6.231 9.627 6.270
142 HB2 GLU 19 2HB GLU 19 4.994 7.277 5.049
143 HB3 GLU 19 1HB GLU 19 6.354 7.371 6.159
144 HG2 GLU 19 2HG GLU 19 4.586 7.814 7.993
145 HG3 GLU 19 1HG GLU 19 3.417 7.212 6.817
146 H ASP 20 H ASP 20 6.909 10.464 4.424
147 HA ASP 20 HA ASP 20 5.045 11.174 2.313
148 HB2 ASP 20 2HB ASP 20 7.780 11.251 1.379
149 HB3 ASP 20 1HB ASP 20 6.673 12.590 1.658
150 H SER 21 H SER 21 6.589 8.326 3.159
151 HA SER 21 HA SER 21 6.990 7.355 0.435
152 HB2 SER 21 2HB SER 21 6.936 5.160 2.183
153 HB3 SER 21 1HB SER 21 8.374 5.996 1.607
154 HG SER 21 HG SER 21 8.534 7.013 3.466
155 H CYS 22 H CYS 22 5.786 5.133 -0.035
156 HA CYS 22 HA CYS 22 3.026 5.142 1.067
157 HB2 CYS 22 2HB CYS 22 3.598 4.945 -1.904
158 HB3 CYS 22 1HB CYS 22 2.020 5.028 -1.124
159 H TYR 23 H TYR 23 2.656 3.048 1.727
160 HA TYR 23 HA TYR 23 4.423 0.988 0.522
161 HB2 TYR 23 2HB TYR 23 4.125 -0.348 2.439
162 HB3 TYR 23 1HB TYR 23 4.321 1.280 3.050
163 HD1 TYR 23 1HD TYR 23 1.597 -1.032 1.919
164 HD2 TYR 23 2HD TYR 23 2.801 2.038 4.657
165 HE1 TYR 23 1HE TYR 23 -0.548 -1.282 3.116
166 HE2 TYR 23 2HE TYR 23 0.644 1.802 5.856
167 HH TYR 23 HH TYR 23 -1.100 -0.157 6.140
168 H LYS 24 H LYS 24 3.684 -0.628 -0.645
169 HA LYS 24 HA LYS 24 0.782 -1.180 -0.638
170 HB2 LYS 24 2HB LYS 24 0.880 0.275 -2.497
171 HB3 LYS 24 1HB LYS 24 2.397 -0.411 -3.057
172 HG2 LYS 24 2HG LYS 24 1.274 -2.543 -3.538
173 HG3 LYS 24 1HG LYS 24 -0.252 -1.863 -2.966
174 HD2 LYS 24 2HD LYS 24 -0.028 -1.776 -5.442
175 HD3 LYS 24 1HD LYS 24 -0.209 -0.184 -4.712
176 HE2 LYS 24 2HE LYS 24 2.035 0.379 -5.047
177 HE3 LYS 24 1HE LYS 24 2.537 -1.307 -5.182
178 HZ1 LYS 24 3HZ LYS 24 2.517 -0.792 -7.366
179 HZ2 LYS 24 1HZ LYS 24 1.381 0.454 -7.192
180 HZ3 LYS 24 2HZ LYS 24 0.866 -1.164 -7.223
181 H ASN 25 H ASN 25 0.849 -3.184 0.085
182 HA ASN 25 HA ASN 25 2.697 -5.083 -1.295
183 HB2 ASN 25 2HB ASN 25 2.627 -6.260 1.039
184 HB3 ASN 25 1HB ASN 25 3.676 -4.870 0.818
185 HD21 ASN 25 1HD2 ASN 25 2.489 -2.676 1.298
186 HD22 ASN 25 2HD2 ASN 25 1.535 -2.675 2.699
187 H ILE 26 H ILE 26 1.971 -7.439 -0.804
188 HA ILE 26 HA ILE 26 -0.939 -7.571 -1.381
189 HB ILE 26 HB ILE 26 -0.532 -9.552 -2.552
190 HG12 ILE 26 2HG1 ILE 26 0.659 -10.682 -0.650
191 HG13 ILE 26 1HG1 ILE 26 1.384 -11.010 -2.222
192 HG21 ILE 26 1HG2 ILE 26 0.864 -8.779 -4.162
193 HG22 ILE 26 2HG2 ILE 26 2.223 -8.641 -3.045
194 HG23 ILE 26 3HG2 ILE 26 1.015 -7.358 -3.128
195 HD11 ILE 26 3HD1 ILE 26 2.368 -9.115 -0.084
196 HD12 ILE 26 1HD1 ILE 26 2.951 -9.041 -1.747
197 HD13 ILE 26 2HD1 ILE 26 3.212 -10.497 -0.785
198 H TRP 27 H TRP 27 1.274 -8.180 1.150
199 HA TRP 27 HA TRP 27 0.232 -10.463 2.420
200 HB2 TRP 27 2HB TRP 27 0.979 -7.961 3.929
201 HB3 TRP 27 1HB TRP 27 1.161 -9.636 4.446
202 HD1 TRP 27 HD TRP 27 2.400 -10.601 1.565
203 HE1 TRP 27 1HE TRP 27 4.879 -10.039 1.099
204 HE3 TRP 27 3HE TRP 27 3.073 -6.801 4.898
205 HZ2 TRP 27 2HZ TRP 27 6.875 -8.214 2.035
206 HZ3 TRP 27 3HZ TRP 27 5.266 -5.671 5.093
207 HH2 TRP 27 HH TRP 27 7.168 -6.373 3.665
208 H THR 28 H THR 28 -2.045 -10.615 2.246
209 HA THR 28 HA THR 28 -3.509 -9.100 4.262
210 HB THR 28 HB THR 28 -3.476 -8.169 1.546
211 HG1 THR 28 1HG THR 28 -3.852 -6.505 2.722
212 HG21 THR 28 3HG2 THR 28 -6.173 -9.156 2.522
213 HG22 THR 28 1HG2 THR 28 -5.340 -9.636 1.044
214 HG23 THR 28 2HG2 THR 28 -5.961 -7.994 1.213
215 H PHE 29 H PHE 29 -5.050 -10.421 5.106
216 HA PHE 29 HA PHE 29 -5.412 -13.074 3.924
217 HB2 PHE 29 2HB PHE 29 -5.256 -12.496 6.435
218 HB3 PHE 29 1HB PHE 29 -6.932 -11.969 6.286
219 HD1 PHE 29 2HD PHE 29 -8.720 -13.567 5.775
220 HD2 PHE 29 1HD PHE 29 -4.644 -14.846 6.212
221 HE1 PHE 29 2HE PHE 29 -9.479 -15.922 5.947
222 HE2 PHE 29 1HE PHE 29 -5.403 -17.202 6.385
223 HZ PHE 29 HZ PHE 29 -7.820 -17.739 6.253
224 H ASP 30 H ASP 30 -7.196 -10.071 4.043
225 HA ASP 30 HA ASP 30 -9.673 -11.375 3.108
226 HB2 ASP 30 2HB ASP 30 -8.941 -8.501 3.715
227 HB3 ASP 30 1HB ASP 30 -10.502 -8.969 3.040
228 H ASN 31 H ASN 31 -8.464 -8.324 1.833
229 HA ASN 31 HA ASN 31 -9.102 -9.096 -0.878
230 HB2 ASN 31 2HB ASN 31 -7.329 -6.785 -0.065
231 HB3 ASN 31 1HB ASN 31 -8.378 -6.907 -1.478
232 HD21 ASN 31 1HD2 ASN 31 -8.229 -5.704 1.702
233 HD22 ASN 31 2HD2 ASN 31 -9.891 -5.451 1.943
234 H ILE 32 H ILE 32 -6.487 -7.658 -1.785
235 HA ILE 32 HA ILE 32 -4.612 -9.938 -1.387
236 HB ILE 32 HB ILE 32 -4.915 -8.667 -4.096
237 HG12 ILE 32 2HG1 ILE 32 -7.163 -9.507 -3.276
238 HG13 ILE 32 1HG1 ILE 32 -6.564 -10.307 -4.729
239 HG21 ILE 32 1HG2 ILE 32 -4.192 -11.076 -4.680
240 HG22 ILE 32 2HG2 ILE 32 -3.853 -11.255 -2.959
241 HG23 ILE 32 3HG2 ILE 32 -2.992 -10.042 -3.907
242 HD11 ILE 32 3HD1 ILE 32 -7.382 -11.582 -2.399
243 HD12 ILE 32 1HD1 ILE 32 -5.622 -11.599 -2.279
244 HD13 ILE 32 2HD1 ILE 32 -6.418 -12.308 -3.685
245 H ILE 33 H ILE 33 -4.644 -6.928 -3.338
246 HA ILE 33 HA ILE 33 -1.963 -6.268 -2.264
247 HB ILE 33 HB ILE 33 -3.345 -4.318 -4.010
248 HG12 ILE 33 2HG1 ILE 33 -4.222 -6.290 -5.034
249 HG13 ILE 33 1HG1 ILE 33 -2.869 -5.760 -6.033
250 HG21 ILE 33 1HG2 ILE 33 -0.811 -4.653 -3.188
251 HG22 ILE 33 2HG2 ILE 33 -1.215 -3.893 -4.727
252 HG23 ILE 33 3HG2 ILE 33 -0.744 -5.592 -4.679
253 HD11 ILE 33 3HD1 ILE 33 -1.874 -7.755 -5.738
254 HD12 ILE 33 1HD1 ILE 33 -3.218 -8.280 -4.726
255 HD13 ILE 33 2HD1 ILE 33 -1.832 -7.471 -3.999
256 H ARG 34 H ARG 34 -1.549 -4.243 -1.187
257 HA ARG 34 HA ARG 34 -3.962 -2.737 -0.356
258 HB2 ARG 34 2HB ARG 34 -3.590 -4.433 1.398
259 HB3 ARG 34 1HB ARG 34 -1.966 -3.785 1.646
260 HG2 ARG 34 2HG ARG 34 -2.845 -1.636 2.292
261 HG3 ARG 34 1HG ARG 34 -4.480 -2.115 1.843
262 HD2 ARG 34 2HD ARG 34 -4.818 -2.999 3.872
263 HD3 ARG 34 1HD ARG 34 -3.407 -4.039 3.680
264 HE ARG 34 HE ARG 34 -2.378 -1.522 4.331
265 HH11 ARG 34 1HH1 ARG 34 -4.786 -1.119 5.990
266 HH12 ARG 34 2HH1 ARG 34 -4.353 -1.869 7.490
267 HH21 ARG 34 1HH2 ARG 34 -1.705 -3.654 6.138
268 HH22 ARG 34 2HH2 ARG 34 -2.608 -3.304 7.574
269 H ARG 35 H ARG 35 -3.440 -0.821 -1.110
270 HA ARG 35 HA ARG 35 -0.715 0.251 -1.006
271 HB2 ARG 35 2HB ARG 35 -3.257 1.646 -1.852
272 HB3 ARG 35 1HB ARG 35 -1.607 2.162 -2.187
273 HG2 ARG 35 2HG ARG 35 -1.523 0.856 -4.008
274 HG3 ARG 35 1HG ARG 35 -1.948 -0.562 -3.052
275 HD2 ARG 35 2HD ARG 35 -4.009 -0.574 -3.948
276 HD3 ARG 35 1HD ARG 35 -4.286 1.072 -3.380
277 HE ARG 35 HE ARG 35 -3.739 1.869 -5.547
278 HH11 ARG 35 1HH2 ARG 35 -1.893 -0.916 -5.171
279 HH12 ARG 35 2HH2 ARG 35 -2.019 -1.430 -6.819
280 HH21 ARG 35 1HH1 ARG 35 -4.357 0.981 -7.674
281 HH22 ARG 35 2HH1 ARG 35 -3.411 -0.357 -8.235
282 H GLY 36 H GLY 36 0.018 1.610 0.541
283 HA2 GLY 36 2HA GLY 36 -1.902 2.954 2.347
284 HA3 GLY 36 1HA GLY 36 -0.731 1.859 3.060
285 H CYS 37 H CYS 37 0.345 3.484 4.180
286 HA CYS 37 HA CYS 37 1.836 5.429 2.470
287 HB2 CYS 37 2HB CYS 37 -0.081 6.095 4.217
288 HB3 CYS 37 1HB CYS 37 1.290 6.037 5.325
289 H GLY 38 H GLY 38 4.023 5.179 2.588
290 HA2 GLY 38 2HA GLY 38 6.082 5.106 3.883
291 HA3 GLY 38 1HA GLY 38 5.224 4.165 5.103
292 H CYS 39 H CYS 39 6.830 2.520 4.925
293 HA CYS 39 HA CYS 39 6.517 0.872 2.443
294 HB2 CYS 39 2HB CYS 39 8.969 0.807 4.223
295 HB3 CYS 39 1HB CYS 39 8.767 0.089 2.628
296 H PHE 40 H PHE 40 6.835 -1.478 2.842
297 HA PHE 40 HA PHE 40 5.185 -2.386 5.019
298 HB2 PHE 40 2HB PHE 40 6.592 -4.644 4.269
299 HB3 PHE 40 1HB PHE 40 5.118 -4.083 3.477
300 HD1 PHE 40 1HD PHE 40 8.781 -4.246 3.284
301 HD2 PHE 40 2HD PHE 40 5.196 -2.856 1.381
302 HE1 PHE 40 1HE PHE 40 10.074 -3.752 1.221
303 HE2 PHE 40 2HE PHE 40 6.478 -2.365 -0.689
304 HZ PHE 40 HZ PHE 40 8.923 -2.807 -0.770
305 H THR 41 H THR 41 6.313 -4.324 6.396
306 HA THR 41 HA THR 41 8.515 -2.921 7.792
307 HB THR 41 HB THR 41 6.968 -5.288 8.845
308 HG1 THR 41 1HG THR 41 5.911 -3.079 8.259
309 HG21 THR 41 3HG2 THR 41 7.824 -3.522 10.855
310 HG22 THR 41 1HG2 THR 41 9.190 -3.691 9.754
311 HG23 THR 41 2HG2 THR 41 8.474 -5.121 10.496
312 HA PRO 42 HA PRO 42 10.490 -7.153 7.246
313 HB2 PRO 42 2HB PRO 42 9.113 -9.132 5.928
314 HB3 PRO 42 1HB PRO 42 8.948 -8.820 7.666
315 HG2 PRO 42 2HG PRO 42 7.004 -8.304 5.508
316 HG3 PRO 42 1HG PRO 42 6.739 -8.353 7.258
317 HD2 PRO 42 2HD PRO 42 7.075 -6.033 5.549
318 HD3 PRO 42 1HD PRO 42 6.683 -6.057 7.279
319 H ARG 43 H ARG 43 10.497 -5.054 5.276
320 HA ARG 43 HA ARG 43 10.330 -5.908 2.589
321 HB2 ARG 43 2HB ARG 43 12.019 -4.197 2.080
322 HB3 ARG 43 1HB ARG 43 10.859 -3.588 3.248
323 HG2 ARG 43 2HG ARG 43 12.389 -4.023 5.087
324 HG3 ARG 43 1HG ARG 43 13.535 -4.785 3.984
325 HD2 ARG 43 2HD ARG 43 14.132 -2.415 4.538
326 HD3 ARG 43 1HD ARG 43 13.886 -2.686 2.813
327 HE ARG 43 HE ARG 43 11.445 -1.826 4.118
328 HH11 ARG 43 1HH1 ARG 43 13.491 -1.109 1.640
329 HH12 ARG 43 2HH1 ARG 43 13.394 0.614 1.783
330 HH21 ARG 43 1HH2 ARG 43 11.732 0.533 4.825
331 HH22 ARG 43 2HH2 ARG 43 12.400 1.543 3.588
332 H GLY 44 H GLY 44 11.816 -6.977 1.208
333 HA2 GLY 44 2HA GLY 44 14.458 -7.640 1.787
334 HA3 GLY 44 1HA GLY 44 13.480 -8.919 2.499
335 H ASP 45 H ASP 45 14.545 -10.353 0.899
336 HA ASP 45 HA ASP 45 13.754 -9.925 -1.920
337 HB2 ASP 45 2HB ASP 45 16.083 -10.731 -1.107
338 HB3 ASP 45 1HB ASP 45 15.299 -12.295 -0.882
339 H MET 46 H MET 46 12.770 -11.819 0.844
340 HA MET 46 HA MET 46 11.574 -13.990 -0.570
341 HB2 MET 46 2HB MET 46 11.554 -12.992 2.155
342 HB3 MET 46 1HB MET 46 9.971 -13.601 1.676
343 HG2 MET 46 2HG MET 46 12.160 -15.323 0.772
344 HG3 MET 46 1HG MET 46 12.103 -15.158 2.527
345 HE1 MET 46 3HE MET 46 9.881 -17.713 3.522
346 HE2 MET 46 1HE MET 46 11.265 -16.633 3.738
347 HE3 MET 46 2HE MET 46 11.377 -18.005 2.638
348 HA PRO 47 HA PRO 47 7.532 -11.553 -0.761
349 HB2 PRO 47 2HB PRO 47 7.351 -9.150 0.540
350 HB3 PRO 47 1HB PRO 47 7.007 -10.699 1.323
351 HG2 PRO 47 2HG PRO 47 9.365 -8.916 1.656
352 HG3 PRO 47 1HG PRO 47 8.704 -10.121 2.773
353 HD2 PRO 47 2HD PRO 47 10.971 -10.439 1.085
354 HD3 PRO 47 1HD PRO 47 10.175 -11.701 2.038
355 H GLY 48 H GLY 48 6.750 -9.360 -1.867
356 HA2 GLY 48 2HA GLY 48 8.949 -7.786 -2.982
357 HA3 GLY 48 1HA GLY 48 8.073 -8.771 -4.147
358 HA PRO 49 HA PRO 49 4.763 -5.730 -2.624
359 HB2 PRO 49 2HB PRO 49 5.276 -4.236 -0.388
360 HB3 PRO 49 1HB PRO 49 4.568 -5.856 -0.340
361 HG2 PRO 49 2HG PRO 49 7.345 -5.032 0.352
362 HG3 PRO 49 1HG PRO 49 6.387 -6.376 0.962
363 HD2 PRO 49 2HD PRO 49 8.415 -6.567 -0.983
364 HD3 PRO 49 1HD PRO 49 7.195 -7.787 -0.604
365 H TYR 50 H TYR 50 4.606 -3.088 -2.399
366 HA TYR 50 HA TYR 50 7.115 -2.007 -3.608
367 HB2 TYR 50 2HB TYR 50 4.783 -2.522 -5.004
368 HB3 TYR 50 1HB TYR 50 4.698 -0.790 -4.684
369 HD1 TYR 50 2HD TYR 50 7.556 -3.132 -5.350
370 HD2 TYR 50 1HD TYR 50 5.431 0.403 -6.547
371 HE1 TYR 50 2HE TYR 50 9.242 -2.720 -7.121
372 HE2 TYR 50 1HE TYR 50 7.116 0.815 -8.319
373 HH TYR 50 HH TYR 50 9.404 0.247 -8.846
374 H CYS 51 H CYS 51 7.780 -0.673 -1.926
375 HA CYS 51 HA CYS 51 5.884 1.257 -0.660
376 HB2 CYS 51 2HB CYS 51 7.792 0.294 0.663
377 HB3 CYS 51 1HB CYS 51 8.918 1.043 -0.467
378 H CYS 52 H CYS 52 6.378 3.625 -0.977
379 HA CYS 52 HA CYS 52 8.042 4.262 -3.337
380 HB2 CYS 52 2HB CYS 52 5.875 3.680 -4.327
381 HB3 CYS 52 1HB CYS 52 5.074 4.865 -3.302
382 H GLU 53 H GLU 53 8.253 6.599 -3.631
383 HA GLU 53 HA GLU 53 7.665 8.060 -1.092
384 HB2 GLU 53 2HB GLU 53 10.014 8.684 -2.873
385 HB3 GLU 53 1HB GLU 53 9.753 9.144 -1.189
386 HG2 GLU 53 2HG GLU 53 9.911 6.781 -0.510
387 HG3 GLU 53 1HG GLU 53 10.180 6.316 -2.190
388 H SER 54 H SER 54 5.668 8.367 -2.648
389 HA SER 54 HA SER 54 5.834 11.122 -3.598
390 HB2 SER 54 2HB SER 54 4.603 9.925 -5.798
391 HB3 SER 54 1HB SER 54 6.220 10.623 -5.771
392 HG SER 54 HG SER 54 6.129 8.403 -6.471
393 H ASP 55 H ASP 55 3.697 12.037 -3.710
394 HA ASP 55 HA ASP 55 1.774 10.646 -2.091
395 HB2 ASP 55 2HB ASP 55 0.974 12.925 -3.875
396 HB3 ASP 55 1HB ASP 55 0.464 12.563 -2.226
397 H LYS 56 H LYS 56 -0.241 9.735 -2.722
398 HA LYS 56 HA LYS 56 -1.450 8.248 -4.096
399 HB2 LYS 56 2HB LYS 56 -1.183 10.840 -5.551
400 HB3 LYS 56 1HB LYS 56 -1.822 9.467 -6.455
401 HG2 LYS 56 2HG LYS 56 -3.707 9.284 -5.124
402 HG3 LYS 56 1HG LYS 56 -2.913 9.997 -3.721
403 HD2 LYS 56 2HD LYS 56 -4.181 11.815 -4.318
404 HD3 LYS 56 1HD LYS 56 -2.808 12.112 -5.385
405 HE2 LYS 56 2HE LYS 56 -4.249 10.416 -6.935
406 HE3 LYS 56 1HE LYS 56 -5.552 11.205 -6.046
407 HZ1 LYS 56 3HZ LYS 56 -4.750 13.334 -6.727
408 HZ2 LYS 56 1HZ LYS 56 -4.926 12.369 -8.111
409 HZ3 LYS 56 2HZ LYS 56 -3.381 12.649 -7.463
410 H CYS 57 H CYS 57 1.410 7.799 -4.078
411 HA CYS 57 HA CYS 57 2.133 7.269 -6.889
412 HB2 CYS 57 2HB CYS 57 3.902 8.094 -5.466
413 HB3 CYS 57 1HB CYS 57 3.600 6.828 -4.276
414 H ASN 58 H ASN 58 0.864 5.466 -4.146
415 HA ASN 58 HA ASN 58 1.523 2.941 -5.496
416 HB2 ASN 58 2HB ASN 58 0.322 1.986 -3.389
417 HB3 ASN 58 1HB ASN 58 1.930 2.680 -3.211
418 HD21 ASN 58 1HD2 ASN 58 0.524 2.652 -0.897
419 HD22 ASN 58 2HD2 ASN 58 -0.134 4.174 -0.521
420 H LEU 59 H LEU 59 -0.042 3.928 -7.223
421 HA LEU 59 HA LEU 59 -2.857 3.178 -6.556
422 HB2 LEU 59 2HB LEU 59 -1.965 5.489 -7.677
423 HB3 LEU 59 1HB LEU 59 -2.260 4.530 -9.127
424 HG LEU 59 HG LEU 59 -4.235 5.183 -6.928
425 HD11 LEU 59 1HD1 LEU 59 -5.409 6.379 -8.615
426 HD12 LEU 59 2HD1 LEU 59 -4.472 5.630 -9.907
427 HD13 LEU 59 3HD1 LEU 59 -3.717 6.820 -8.846
428 HD21 LEU 59 3HD2 LEU 59 -4.528 2.844 -7.578
429 HD22 LEU 59 1HD2 LEU 59 -4.495 3.288 -9.284
430 HD23 LEU 59 2HD2 LEU 59 -5.835 3.809 -8.263
Start of MODEL 16
1 H1 ARG 1 1HT ARG 1 2.659 11.973 4.475
2 H2 ARG 1 2HT ARG 1 1.929 13.500 4.628
3 H3 ARG 1 3HT ARG 1 3.570 13.379 4.208
4 HA ARG 1 HA ARG 1 2.081 13.918 2.316
5 HB2 ARG 1 2HB ARG 1 4.312 12.861 2.027
6 HB3 ARG 1 1HB ARG 1 3.563 11.273 2.184
7 HG2 ARG 1 2HG ARG 1 2.126 11.810 0.208
8 HG3 ARG 1 1HG ARG 1 3.020 13.316 0.010
9 HD2 ARG 1 2HD ARG 1 4.658 10.857 0.276
10 HD3 ARG 1 1HD ARG 1 3.722 10.982 -1.204
11 HE ARG 1 HE ARG 1 5.968 12.114 -1.455
12 HH11 ARG 1 1HH1 ARG 1 5.804 13.770 1.059
13 HH12 ARG 1 2HH1 ARG 1 5.365 15.324 0.429
14 HH21 ARG 1 1HH2 ARG 1 4.358 14.085 -2.651
15 HH22 ARG 1 2HH2 ARG 1 4.545 15.502 -1.671
16 H ILE 2 H ILE 2 0.609 12.814 0.675
17 HA ILE 2 HA ILE 2 -1.236 10.967 2.127
18 HB ILE 2 HB ILE 2 -1.863 12.452 -0.420
19 HG12 ILE 2 2HG1 ILE 2 -3.048 13.705 1.836
20 HG13 ILE 2 1HG1 ILE 2 -1.327 13.505 2.174
21 HG21 ILE 2 1HG2 ILE 2 -4.192 12.179 0.495
22 HG22 ILE 2 2HG2 ILE 2 -3.512 11.208 1.800
23 HG23 ILE 2 3HG2 ILE 2 -3.391 10.650 0.132
24 HD11 ILE 2 3HD1 ILE 2 -2.442 14.725 -0.365
25 HD12 ILE 2 1HD1 ILE 2 -0.741 14.616 0.088
26 HD13 ILE 2 2HD1 ILE 2 -1.833 15.656 1.003
27 H CYS 3 H CYS 3 -1.263 8.882 1.489
28 HA CYS 3 HA CYS 3 -0.321 8.381 -1.284
29 HB2 CYS 3 2HB CYS 3 -0.090 6.572 1.141
30 HB3 CYS 3 1HB CYS 3 0.349 6.099 -0.499
31 H TYR 4 H TYR 4 -1.233 5.825 -1.708
32 HA TYR 4 HA TYR 4 -4.148 6.306 -1.580
33 HB2 TYR 4 2HB TYR 4 -2.349 4.889 -3.445
34 HB3 TYR 4 1HB TYR 4 -3.914 4.122 -3.174
35 HD1 TYR 4 1HD TYR 4 -5.982 5.815 -3.159
36 HD2 TYR 4 2HD TYR 4 -2.209 6.540 -5.077
37 HE1 TYR 4 1HE TYR 4 -7.055 7.481 -4.649
38 HE2 TYR 4 2HE TYR 4 -3.283 8.203 -6.568
39 HH TYR 4 HH TYR 4 -6.095 9.631 -5.992
40 H ASN 5 H ASN 5 -5.584 4.814 -0.689
41 HA ASN 5 HA ASN 5 -4.341 2.633 0.936
42 HB2 ASN 5 2HB ASN 5 -5.341 4.136 2.454
43 HB3 ASN 5 1HB ASN 5 -6.731 4.414 1.415
44 HD21 ASN 5 1HD2 ASN 5 -5.178 1.412 2.702
45 HD22 ASN 5 2HD2 ASN 5 -6.613 0.776 3.347
46 H HIS 6 H HIS 6 -5.947 3.062 -1.884
47 HA HIS 6 HA HIS 6 -8.180 1.379 -1.842
48 HB2 HIS 6 2HB HIS 6 -7.937 2.326 -3.897
49 HB3 HIS 6 1HB HIS 6 -6.192 2.157 -3.910
50 HD1 HIS 6 1HD HIS 6 -5.985 0.943 -6.150
51 HD2 HIS 6 2HD HIS 6 -8.647 -0.935 -3.549
52 HE1 HIS 6 1HE HIS 6 -6.558 -1.289 -7.200
53 H LEU 7 H LEU 7 -8.489 -0.725 -1.604
54 HA LEU 7 HA LEU 7 -6.084 -2.463 -1.256
55 HB2 LEU 7 2HB LEU 7 -8.904 -2.718 -0.190
56 HB3 LEU 7 1HB LEU 7 -7.666 -3.960 0.003
57 HG LEU 7 HG LEU 7 -6.304 -1.753 0.840
58 HD11 LEU 7 1HD1 LEU 7 -8.895 -1.338 2.239
59 HD12 LEU 7 2HD1 LEU 7 -8.783 -0.707 0.597
60 HD13 LEU 7 3HD1 LEU 7 -7.639 -0.170 1.827
61 HD21 LEU 7 3HD2 LEU 7 -6.657 -4.021 1.947
62 HD22 LEU 7 1HD2 LEU 7 -8.129 -3.355 2.651
63 HD23 LEU 7 2HD2 LEU 7 -6.563 -2.651 3.053
64 H GLY 8 H GLY 8 -5.743 -4.113 -2.618
65 HA2 GLY 8 2HA GLY 8 -6.091 -4.994 -4.887
66 HA3 GLY 8 1HA GLY 8 -6.932 -6.076 -3.786
67 H THR 9 H THR 9 -9.188 -6.158 -3.847
68 HA THR 9 HA THR 9 -10.430 -4.686 -6.123
69 HB THR 9 HB THR 9 -10.882 -6.970 -6.409
70 HG1 THR 9 1HG THR 9 -12.974 -6.832 -6.397
71 HG21 THR 9 3HG2 THR 9 -11.202 -7.046 -3.402
72 HG22 THR 9 1HG2 THR 9 -9.982 -7.861 -4.379
73 HG23 THR 9 2HG2 THR 9 -11.662 -8.391 -4.445
74 H LYS 10 H LYS 10 -10.317 -4.773 -2.709
75 HA LYS 10 HA LYS 10 -12.874 -3.994 -1.871
76 HB2 LYS 10 2HB LYS 10 -10.190 -3.889 -0.860
77 HB3 LYS 10 1HB LYS 10 -10.973 -2.350 -0.512
78 HG2 LYS 10 2HG LYS 10 -12.904 -3.598 0.467
79 HG3 LYS 10 1HG LYS 10 -12.037 -5.105 0.182
80 HD2 LYS 10 2HD LYS 10 -10.710 -4.809 1.986
81 HD3 LYS 10 1HD LYS 10 -10.410 -3.118 1.585
82 HE2 LYS 10 2HE LYS 10 -12.135 -2.362 2.887
83 HE3 LYS 10 1HE LYS 10 -13.142 -3.769 2.550
84 HZ1 LYS 10 3HZ LYS 10 -11.855 -5.075 4.057
85 HZ2 LYS 10 1HZ LYS 10 -12.326 -3.659 4.866
86 HZ3 LYS 10 2HZ LYS 10 -10.737 -3.817 4.287
87 HA PRO 11 HA PRO 11 -13.542 0.080 -3.384
88 HB2 PRO 11 2HB PRO 11 -14.016 1.652 -1.168
89 HB3 PRO 11 1HB PRO 11 -15.186 0.496 -1.827
90 HG2 PRO 11 2HG PRO 11 -13.471 0.254 0.605
91 HG3 PRO 11 1HG PRO 11 -15.049 -0.476 0.266
92 HD2 PRO 11 2HD PRO 11 -12.585 -1.806 0.113
93 HD3 PRO 11 1HD PRO 11 -14.098 -2.374 -0.622
94 HA PRO 12 HA PRO 12 -9.461 1.793 -3.153
95 HB2 PRO 12 2HB PRO 12 -9.759 3.554 -5.248
96 HB3 PRO 12 1HB PRO 12 -9.450 1.820 -5.449
97 HG2 PRO 12 2HG PRO 12 -11.993 3.331 -5.835
98 HG3 PRO 12 1HG PRO 12 -11.456 1.826 -6.598
99 HD2 PRO 12 2HD PRO 12 -13.307 2.026 -4.473
100 HD3 PRO 12 1HD PRO 12 -12.490 0.541 -5.003
101 H THR 13 H THR 13 -8.881 3.235 -1.642
102 HA THR 13 HA THR 13 -10.062 5.956 -1.698
103 HB THR 13 HB THR 13 -11.335 5.453 0.117
104 HG1 THR 13 1HG THR 13 -10.308 6.050 1.879
105 HG21 THR 13 3HG2 THR 13 -11.396 3.151 0.175
106 HG22 THR 13 1HG2 THR 13 -10.482 3.435 1.657
107 HG23 THR 13 2HG2 THR 13 -9.639 3.003 0.170
108 H THR 14 H THR 14 -8.552 7.535 -1.039
109 HA THR 14 HA THR 14 -5.799 6.718 -1.160
110 HB THR 14 HB THR 14 -5.318 9.122 -0.593
111 HG1 THR 14 1HG THR 14 -7.257 9.402 0.644
112 HG21 THR 14 3HG2 THR 14 -6.808 9.913 -2.675
113 HG22 THR 14 1HG2 THR 14 -7.005 8.169 -2.848
114 HG23 THR 14 2HG2 THR 14 -5.391 8.880 -2.870
115 H GLU 15 H GLU 15 -4.354 7.946 0.668
116 HA GLU 15 HA GLU 15 -5.432 7.457 3.370
117 HB2 GLU 15 2HB GLU 15 -4.087 5.392 2.088
118 HB3 GLU 15 1HB GLU 15 -2.830 6.158 3.056
119 HG2 GLU 15 2HG GLU 15 -5.480 5.067 4.033
120 HG3 GLU 15 1HG GLU 15 -3.864 4.502 4.459
121 H THR 16 H THR 16 -4.742 9.187 4.527
122 HA THR 16 HA THR 16 -2.331 10.628 3.585
123 HB THR 16 HB THR 16 -3.454 11.892 5.870
124 HG1 THR 16 1HG THR 16 -5.523 11.764 4.083
125 HG21 THR 16 3HG2 THR 16 -4.134 12.755 3.093
126 HG22 THR 16 1HG2 THR 16 -2.433 12.690 3.554
127 HG23 THR 16 2HG2 THR 16 -3.552 13.713 4.454
128 H CYS 17 H CYS 17 -0.425 10.334 4.582
129 HA CYS 17 HA CYS 17 -0.392 9.575 7.455
130 HB2 CYS 17 2HB CYS 17 1.388 8.191 5.448
131 HB3 CYS 17 1HB CYS 17 1.086 7.741 7.124
132 H GLN 18 H GLN 18 2.274 9.401 7.891
133 HA GLN 18 HA GLN 18 3.172 12.148 7.231
134 HB2 GLN 18 2HB GLN 18 3.298 11.340 9.565
135 HB3 GLN 18 1HB GLN 18 4.420 10.087 9.056
136 HG2 GLN 18 2HG GLN 18 5.569 12.147 9.937
137 HG3 GLN 18 1HG GLN 18 6.023 11.723 8.293
138 HE21 GLN 18 1HE2 GLN 18 5.003 12.991 6.508
139 HE22 GLN 18 2HE2 GLN 18 4.403 14.549 6.804
140 H GLU 19 H GLU 19 4.064 8.811 6.728
141 HA GLU 19 HA GLU 19 6.710 9.313 5.780
142 HB2 GLU 19 2HB GLU 19 5.189 7.078 4.537
143 HB3 GLU 19 1HB GLU 19 6.812 7.085 5.214
144 HG2 GLU 19 2HG GLU 19 5.352 7.588 7.453
145 HG3 GLU 19 1HG GLU 19 4.219 6.581 6.551
146 H ASP 20 H ASP 20 7.478 9.884 3.797
147 HA ASP 20 HA ASP 20 5.553 11.038 1.915
148 HB2 ASP 20 2HB ASP 20 8.344 10.861 1.003
149 HB3 ASP 20 1HB ASP 20 7.294 12.267 1.133
150 H SER 21 H SER 21 6.862 7.968 2.378
151 HA SER 21 HA SER 21 6.868 7.350 -0.496
152 HB2 SER 21 2HB SER 21 8.540 6.035 0.339
153 HB3 SER 21 1HB SER 21 7.820 5.968 1.939
154 HG SER 21 HG SER 21 7.505 4.309 -0.230
155 H CYS 22 H CYS 22 5.708 5.082 -0.932
156 HA CYS 22 HA CYS 22 3.166 4.854 0.541
157 HB2 CYS 22 2HB CYS 22 3.112 5.187 -2.470
158 HB3 CYS 22 1HB CYS 22 1.745 5.163 -1.359
159 H TYR 23 H TYR 23 2.897 2.630 0.774
160 HA TYR 23 HA TYR 23 4.515 0.979 -1.085
161 HB2 TYR 23 2HB TYR 23 4.328 -0.831 0.513
162 HB3 TYR 23 1HB TYR 23 4.892 0.607 1.326
163 HD1 TYR 23 1HD TYR 23 1.698 -1.172 0.491
164 HD2 TYR 23 2HD TYR 23 3.817 1.283 3.308
165 HE1 TYR 23 1HE TYR 23 -0.200 -1.349 2.068
166 HE2 TYR 23 2HE TYR 23 1.916 1.105 4.885
167 HH TYR 23 HH TYR 23 -0.012 0.036 5.329
168 H LYS 24 H LYS 24 3.743 -0.706 -2.157
169 HA LYS 24 HA LYS 24 0.808 -1.219 -2.091
170 HB2 LYS 24 2HB LYS 24 2.190 0.060 -4.238
171 HB3 LYS 24 1HB LYS 24 1.697 -1.555 -4.763
172 HG2 LYS 24 2HG LYS 24 -0.526 -0.997 -3.567
173 HG3 LYS 24 1HG LYS 24 -0.008 0.677 -3.751
174 HD2 LYS 24 2HD LYS 24 -0.405 -1.356 -5.947
175 HD3 LYS 24 1HD LYS 24 -1.327 0.122 -5.690
176 HE2 LYS 24 2HE LYS 24 0.116 1.043 -7.180
177 HE3 LYS 24 1HE LYS 24 1.239 1.083 -5.823
178 HZ1 LYS 24 3HZ LYS 24 1.644 -1.380 -6.612
179 HZ2 LYS 24 1HZ LYS 24 2.478 -0.077 -7.307
180 HZ3 LYS 24 2HZ LYS 24 1.132 -0.743 -8.101
181 H ASN 25 H ASN 25 1.014 -3.217 -1.152
182 HA ASN 25 HA ASN 25 2.941 -5.115 -2.410
183 HB2 ASN 25 2HB ASN 25 1.682 -6.033 0.068
184 HB3 ASN 25 1HB ASN 25 3.387 -5.924 -0.344
185 HD21 ASN 25 1HD2 ASN 25 3.441 -3.023 -0.826
186 HD22 ASN 25 2HD2 ASN 25 3.188 -2.277 0.667
187 H ILE 26 H ILE 26 2.276 -7.198 -3.007
188 HA ILE 26 HA ILE 26 -0.571 -7.366 -3.752
189 HB ILE 26 HB ILE 26 0.102 -9.134 -5.211
190 HG12 ILE 26 2HG1 ILE 26 2.784 -9.627 -4.877
191 HG13 ILE 26 1HG1 ILE 26 2.243 -9.435 -3.210
192 HG21 ILE 26 1HG2 ILE 26 2.321 -7.076 -5.042
193 HG22 ILE 26 2HG2 ILE 26 0.814 -6.904 -5.942
194 HG23 ILE 26 3HG2 ILE 26 2.002 -8.111 -6.433
195 HD11 ILE 26 3HD1 ILE 26 2.052 -11.774 -4.584
196 HD12 ILE 26 1HD1 ILE 26 0.475 -11.067 -4.938
197 HD13 ILE 26 2HD1 ILE 26 0.967 -11.328 -3.266
198 H TRP 27 H TRP 27 1.579 -8.711 -1.374
199 HA TRP 27 HA TRP 27 -0.403 -10.854 -0.775
200 HB2 TRP 27 2HB TRP 27 1.739 -11.076 1.030
201 HB3 TRP 27 1HB TRP 27 1.418 -12.107 -0.361
202 HD1 TRP 27 HD TRP 27 3.225 -8.795 0.467
203 HE1 TRP 27 1HE TRP 27 5.234 -8.556 -1.125
204 HE3 TRP 27 3HE TRP 27 2.553 -12.939 -2.444
205 HZ2 TRP 27 2HZ TRP 27 6.414 -9.938 -3.329
206 HZ3 TRP 27 3HZ TRP 27 4.139 -13.454 -4.279
207 HH2 TRP 27 HH TRP 27 6.067 -11.960 -4.723
208 H THR 28 H THR 28 -1.327 -11.034 1.286
209 HA THR 28 HA THR 28 -0.698 -9.098 3.373
210 HB THR 28 HB THR 28 -2.350 -8.104 1.506
211 HG1 THR 28 1HG THR 28 -1.952 -6.734 3.056
212 HG21 THR 28 3HG2 THR 28 -4.384 -9.020 3.497
213 HG22 THR 28 1HG2 THR 28 -3.940 -10.116 2.190
214 HG23 THR 28 2HG2 THR 28 -4.604 -8.524 1.822
215 H PHE 29 H PHE 29 -3.074 -9.390 4.880
216 HA PHE 29 HA PHE 29 -2.769 -12.199 5.677
217 HB2 PHE 29 2HB PHE 29 -3.199 -9.944 7.120
218 HB3 PHE 29 1HB PHE 29 -4.855 -10.536 6.970
219 HD1 PHE 29 2HD PHE 29 -1.399 -11.765 7.758
220 HD2 PHE 29 1HD PHE 29 -5.618 -12.172 8.459
221 HE1 PHE 29 2HE PHE 29 -0.946 -13.482 9.488
222 HE2 PHE 29 1HE PHE 29 -5.165 -13.890 10.190
223 HZ PHE 29 HZ PHE 29 -2.828 -14.545 10.703
224 H ASP 30 H ASP 30 -5.452 -10.117 4.531
225 HA ASP 30 HA ASP 30 -6.868 -12.642 3.770
226 HB2 ASP 30 2HB ASP 30 -7.735 -10.834 5.651
227 HB3 ASP 30 1HB ASP 30 -8.557 -10.271 4.196
228 H ASN 31 H ASN 31 -6.403 -9.193 2.981
229 HA ASN 31 HA ASN 31 -7.748 -9.466 0.403
230 HB2 ASN 31 2HB ASN 31 -5.877 -7.220 1.128
231 HB3 ASN 31 1HB ASN 31 -7.326 -7.169 0.123
232 HD21 ASN 31 1HD2 ASN 31 -6.348 -5.994 2.972
233 HD22 ASN 31 2HD2 ASN 31 -7.769 -6.133 3.890
234 H ILE 32 H ILE 32 -5.845 -7.918 -1.152
235 HA ILE 32 HA ILE 32 -3.558 -9.818 -1.386
236 HB ILE 32 HB ILE 32 -4.861 -8.769 -3.873
237 HG12 ILE 32 2HG1 ILE 32 -6.661 -9.780 -2.409
238 HG13 ILE 32 1HG1 ILE 32 -6.413 -10.622 -3.938
239 HG21 ILE 32 1HG2 ILE 32 -3.468 -11.372 -3.174
240 HG22 ILE 32 2HG2 ILE 32 -2.689 -9.978 -3.924
241 HG23 ILE 32 3HG2 ILE 32 -3.954 -10.852 -4.789
242 HD11 ILE 32 3HD1 ILE 32 -5.766 -12.515 -2.896
243 HD12 ILE 32 1HD1 ILE 32 -6.356 -11.780 -1.405
244 HD13 ILE 32 2HD1 ILE 32 -4.655 -11.635 -1.845
245 H ILE 33 H ILE 33 -4.740 -6.967 -3.211
246 HA ILE 33 HA ILE 33 -2.006 -5.842 -3.058
247 HB ILE 33 HB ILE 33 -4.184 -4.317 -4.374
248 HG12 ILE 33 2HG1 ILE 33 -4.709 -6.645 -4.979
249 HG13 ILE 33 1HG1 ILE 33 -4.105 -5.755 -6.373
250 HG21 ILE 33 1HG2 ILE 33 -1.364 -4.369 -4.327
251 HG22 ILE 33 2HG2 ILE 33 -2.397 -3.342 -5.321
252 HG23 ILE 33 3HG2 ILE 33 -1.832 -4.893 -5.944
253 HD11 ILE 33 3HD1 ILE 33 -1.865 -6.864 -4.998
254 HD12 ILE 33 1HD1 ILE 33 -2.451 -7.256 -6.613
255 HD13 ILE 33 2HD1 ILE 33 -3.054 -8.147 -5.215
256 H ARG 34 H ARG 34 -1.518 -3.999 -1.883
257 HA ARG 34 HA ARG 34 -3.768 -2.480 -0.732
258 HB2 ARG 34 2HB ARG 34 -3.100 -4.366 0.861
259 HB3 ARG 34 1HB ARG 34 -1.620 -3.440 1.131
260 HG2 ARG 34 2HG ARG 34 -2.747 -1.657 2.092
261 HG3 ARG 34 1HG ARG 34 -4.252 -2.025 1.267
262 HD2 ARG 34 2HD ARG 34 -4.877 -3.625 2.810
263 HD3 ARG 34 1HD ARG 34 -3.210 -4.048 3.198
264 HE ARG 34 HE ARG 34 -4.766 -2.234 4.697
265 HH11 ARG 34 1HH2 ARG 34 -1.613 -3.173 4.149
266 HH12 ARG 34 2HH2 ARG 34 -0.880 -1.720 4.744
267 HH21 ARG 34 1HH1 ARG 34 -3.879 0.003 5.001
268 HH22 ARG 34 2HH1 ARG 34 -2.164 0.077 5.227
269 H ARG 35 H ARG 35 -3.300 -0.510 -1.333
270 HA ARG 35 HA ARG 35 -0.543 0.479 -1.543
271 HB2 ARG 35 2HB ARG 35 -3.142 1.980 -1.908
272 HB3 ARG 35 1HB ARG 35 -1.549 2.484 -2.461
273 HG2 ARG 35 2HG ARG 35 -1.736 1.264 -4.340
274 HG3 ARG 35 1HG ARG 35 -2.201 -0.174 -3.432
275 HD2 ARG 35 2HD ARG 35 -4.505 1.043 -3.196
276 HD3 ARG 35 1HD ARG 35 -3.949 1.992 -4.573
277 HE ARG 35 HE ARG 35 -4.872 -0.738 -4.686
278 HH11 ARG 35 1HH2 ARG 35 -3.410 1.828 -6.341
279 HH12 ARG 35 2HH2 ARG 35 -2.869 0.870 -7.679
280 HH21 ARG 35 1HH1 ARG 35 -3.808 -2.144 -6.245
281 HH22 ARG 35 2HH1 ARG 35 -3.095 -1.376 -7.625
282 H GLY 36 H GLY 36 0.435 1.670 0.073
283 HA2 GLY 36 2HA GLY 36 -1.281 2.997 2.098
284 HA3 GLY 36 1HA GLY 36 -0.091 1.834 2.673
285 H CYS 37 H CYS 37 0.432 4.144 3.738
286 HA CYS 37 HA CYS 37 2.235 5.686 1.934
287 HB2 CYS 37 2HB CYS 37 1.889 6.573 4.736
288 HB3 CYS 37 1HB CYS 37 1.869 7.518 3.251
289 H GLY 38 H GLY 38 4.352 5.108 1.991
290 HA2 GLY 38 2HA GLY 38 6.462 4.812 3.121
291 HA3 GLY 38 1HA GLY 38 5.573 4.374 4.583
292 H CYS 39 H CYS 39 6.819 2.390 4.674
293 HA CYS 39 HA CYS 39 6.015 0.422 2.580
294 HB2 CYS 39 2HB CYS 39 8.366 0.397 4.449
295 HB3 CYS 39 1HB CYS 39 7.952 -0.927 3.376
296 H PHE 40 H PHE 40 5.490 -1.763 3.397
297 HA PHE 40 HA PHE 40 3.669 -1.607 5.608
298 HB2 PHE 40 2HB PHE 40 3.620 -4.137 5.416
299 HB3 PHE 40 1HB PHE 40 3.209 -3.261 3.952
300 HD1 PHE 40 1HD PHE 40 6.690 -2.918 4.565
301 HD2 PHE 40 2HD PHE 40 3.766 -5.678 3.058
302 HE1 PHE 40 1HE PHE 40 8.459 -4.102 3.326
303 HE2 PHE 40 2HE PHE 40 5.549 -6.878 1.826
304 HZ PHE 40 HZ PHE 40 7.898 -6.090 1.957
305 H THR 41 H THR 41 3.862 -3.200 7.525
306 HA THR 41 HA THR 41 6.262 -2.462 8.962
307 HB THR 41 HB THR 41 4.228 -4.450 9.937
308 HG1 THR 41 1HG THR 41 4.060 -1.622 9.866
309 HG21 THR 41 3HG2 THR 41 5.453 -2.251 11.542
310 HG22 THR 41 1HG2 THR 41 6.458 -3.641 11.128
311 HG23 THR 41 2HG2 THR 41 4.968 -3.871 12.043
312 HA PRO 42 HA PRO 42 7.235 -7.098 8.872
313 HB2 PRO 42 2HB PRO 42 5.771 -8.704 7.186
314 HB3 PRO 42 1HB PRO 42 5.316 -8.364 8.864
315 HG2 PRO 42 2HG PRO 42 4.086 -7.355 6.362
316 HG3 PRO 42 1HG PRO 42 3.395 -7.449 7.990
317 HD2 PRO 42 2HD PRO 42 4.474 -5.134 6.688
318 HD3 PRO 42 1HD PRO 42 3.875 -5.234 8.355
319 H ARG 43 H ARG 43 8.236 -5.107 7.098
320 HA ARG 43 HA ARG 43 8.542 -6.047 4.411
321 HB2 ARG 43 2HB ARG 43 10.401 -4.475 4.262
322 HB3 ARG 43 1HB ARG 43 9.088 -3.731 5.165
323 HG2 ARG 43 2HG ARG 43 10.170 -4.253 7.281
324 HG3 ARG 43 1HG ARG 43 11.439 -5.145 6.442
325 HD2 ARG 43 2HD ARG 43 11.995 -2.999 5.212
326 HD3 ARG 43 1HD ARG 43 10.895 -2.170 6.312
327 HE ARG 43 HE ARG 43 12.405 -2.785 8.165
328 HH11 ARG 43 1HH2 ARG 43 13.609 -4.991 6.233
329 HH12 ARG 43 2HH2 ARG 43 15.222 -4.376 6.091
330 HH21 ARG 43 1HH1 ARG 43 14.438 -1.278 7.443
331 HH22 ARG 43 2HH1 ARG 43 15.692 -2.271 6.778
332 H GLY 44 H GLY 44 10.917 -6.529 3.613
333 HA2 GLY 44 2HA GLY 44 12.933 -7.719 4.954
334 HA3 GLY 44 1HA GLY 44 11.701 -8.974 4.994
335 H ASP 45 H ASP 45 13.412 -10.152 3.694
336 HA ASP 45 HA ASP 45 13.653 -9.265 0.883
337 HB2 ASP 45 2HB ASP 45 15.066 -11.415 0.749
338 HB3 ASP 45 1HB ASP 45 15.694 -10.112 1.760
339 H MET 46 H MET 46 11.350 -10.848 2.604
340 HA MET 46 HA MET 46 10.848 -13.033 0.713
341 HB2 MET 46 2HB MET 46 9.898 -12.244 3.357
342 HB3 MET 46 1HB MET 46 8.588 -12.782 2.305
343 HG2 MET 46 2HG MET 46 9.277 -14.932 2.399
344 HG3 MET 46 1HG MET 46 10.951 -14.482 2.074
345 HE1 MET 46 3HE MET 46 8.724 -16.105 4.027
346 HE2 MET 46 1HE MET 46 9.349 -16.229 5.678
347 HE3 MET 46 2HE MET 46 10.255 -16.920 4.335
348 HA PRO 47 HA PRO 47 7.127 -10.248 -0.343
349 HB2 PRO 47 2HB PRO 47 7.018 -7.766 0.825
350 HB3 PRO 47 1HB PRO 47 6.312 -9.224 1.540
351 HG2 PRO 47 2HG PRO 47 8.758 -7.743 2.348
352 HG3 PRO 47 1HG PRO 47 7.737 -8.826 3.307
353 HD2 PRO 47 2HD PRO 47 10.252 -9.458 2.113
354 HD3 PRO 47 1HD PRO 47 9.145 -10.594 2.911
355 H GLY 48 H GLY 48 6.852 -8.672 -2.010
356 HA2 GLY 48 2HA GLY 48 9.172 -6.974 -2.666
357 HA3 GLY 48 1HA GLY 48 8.599 -8.107 -3.886
358 HA PRO 49 HA PRO 49 4.943 -5.071 -3.214
359 HB2 PRO 49 2HB PRO 49 5.299 -3.087 -1.348
360 HB3 PRO 49 1HB PRO 49 4.600 -4.670 -0.970
361 HG2 PRO 49 2HG PRO 49 7.336 -3.637 -0.373
362 HG3 PRO 49 1HG PRO 49 6.354 -4.812 0.510
363 HD2 PRO 49 2HD PRO 49 8.486 -5.465 -1.191
364 HD3 PRO 49 1HD PRO 49 7.216 -6.591 -0.666
365 H TYR 50 H TYR 50 4.876 -2.298 -3.013
366 HA TYR 50 HA TYR 50 7.159 -1.406 -4.710
367 HB2 TYR 50 2HB TYR 50 4.336 -1.567 -5.398
368 HB3 TYR 50 1HB TYR 50 4.950 0.081 -5.555
369 HD1 TYR 50 1HD TYR 50 7.638 -0.095 -6.417
370 HD2 TYR 50 2HD TYR 50 4.365 -2.677 -7.448
371 HE1 TYR 50 1HE TYR 50 8.798 -0.728 -8.517
372 HE2 TYR 50 2HE TYR 50 5.524 -3.309 -9.547
373 HH TYR 50 HH TYR 50 8.030 -3.360 -10.314
374 H CYS 51 H CYS 51 7.984 -0.449 -2.708
375 HA CYS 51 HA CYS 51 6.432 1.631 -1.323
376 HB2 CYS 51 2HB CYS 51 9.322 0.740 -1.255
377 HB3 CYS 51 1HB CYS 51 8.765 2.191 -0.418
378 H CYS 52 H CYS 52 5.958 3.369 -2.643
379 HA CYS 52 HA CYS 52 8.089 4.404 -4.448
380 HB2 CYS 52 2HB CYS 52 5.895 4.072 -5.480
381 HB3 CYS 52 1HB CYS 52 5.143 5.104 -4.272
382 H GLU 53 H GLU 53 8.385 6.782 -4.454
383 HA GLU 53 HA GLU 53 7.877 7.894 -1.748
384 HB2 GLU 53 2HB GLU 53 10.270 8.648 -3.392
385 HB3 GLU 53 1HB GLU 53 9.971 8.922 -1.668
386 HG2 GLU 53 2HG GLU 53 10.331 6.700 -1.098
387 HG3 GLU 53 1HG GLU 53 9.988 6.117 -2.727
388 H SER 54 H SER 54 5.891 8.462 -3.113
389 HA SER 54 HA SER 54 6.100 11.312 -3.727
390 HB2 SER 54 2HB SER 54 4.654 10.229 -5.932
391 HB3 SER 54 1HB SER 54 6.151 11.156 -5.974
392 HG SER 54 HG SER 54 7.305 9.268 -5.823
393 H ASP 55 H ASP 55 3.900 12.257 -3.855
394 HA ASP 55 HA ASP 55 2.086 10.907 -2.068
395 HB2 ASP 55 2HB ASP 55 2.026 13.273 -2.051
396 HB3 ASP 55 1HB ASP 55 1.815 13.370 -3.798
397 H LYS 56 H LYS 56 -0.027 10.148 -2.552
398 HA LYS 56 HA LYS 56 -1.284 8.516 -3.750
399 HB2 LYS 56 2HB LYS 56 -2.460 9.544 -5.596
400 HB3 LYS 56 1HB LYS 56 -2.185 10.788 -4.378
401 HG2 LYS 56 2HG LYS 56 -0.176 11.539 -5.618
402 HG3 LYS 56 1HG LYS 56 -0.504 10.331 -6.860
403 HD2 LYS 56 2HD LYS 56 -1.452 12.350 -7.689
404 HD3 LYS 56 1HD LYS 56 -2.817 11.414 -7.080
405 HE2 LYS 56 2HE LYS 56 -2.951 12.710 -5.086
406 HE3 LYS 56 1HE LYS 56 -1.369 13.440 -5.366
407 HZ1 LYS 56 3HZ LYS 56 -2.492 15.093 -6.309
408 HZ2 LYS 56 1HZ LYS 56 -3.935 14.204 -6.383
409 HZ3 LYS 56 2HZ LYS 56 -2.775 14.042 -7.615
410 H CYS 57 H CYS 57 1.578 8.147 -4.095
411 HA CYS 57 HA CYS 57 2.030 7.708 -6.952
412 HB2 CYS 57 2HB CYS 57 3.814 8.426 -5.339
413 HB3 CYS 57 1HB CYS 57 3.738 6.817 -4.622
414 H ASN 58 H ASN 58 0.754 5.714 -4.371
415 HA ASN 58 HA ASN 58 1.591 3.263 -5.691
416 HB2 ASN 58 2HB ASN 58 -0.315 2.391 -3.995
417 HB3 ASN 58 1HB ASN 58 1.361 2.632 -3.530
418 HD21 ASN 58 1HD2 ASN 58 0.268 2.887 -1.332
419 HD22 ASN 58 2HD2 ASN 58 -0.322 4.423 -0.904
420 H LEU 59 H LEU 59 -0.372 5.375 -6.913
421 HA LEU 59 HA LEU 59 -2.195 3.264 -7.948
422 HB2 LEU 59 2HB LEU 59 -3.396 4.677 -6.235
423 HB3 LEU 59 1HB LEU 59 -3.128 6.065 -7.289
424 HG LEU 59 HG LEU 59 -4.262 4.763 -9.138
425 HD11 LEU 59 1HD1 LEU 59 -4.962 2.958 -6.801
426 HD12 LEU 59 2HD1 LEU 59 -3.990 2.518 -8.206
427 HD13 LEU 59 3HD1 LEU 59 -5.707 2.872 -8.398
428 HD21 LEU 59 3HD2 LEU 59 -6.444 5.397 -8.428
429 HD22 LEU 59 1HD2 LEU 59 -5.358 6.495 -7.581
430 HD23 LEU 59 2HD2 LEU 59 -6.057 5.118 -6.731
Start of MODEL 17
1 H1 ARG 1 1HT ARG 1 2.968 11.448 3.488
2 H2 ARG 1 2HT ARG 1 4.092 12.340 2.588
3 H3 ARG 1 3HT ARG 1 2.999 11.304 1.802
4 HA ARG 1 HA ARG 1 2.167 13.650 3.401
5 HB2 ARG 1 2HB ARG 1 1.732 13.842 0.526
6 HB3 ARG 1 1HB ARG 1 2.427 15.016 1.625
7 HG2 ARG 1 2HG ARG 1 4.142 14.521 0.064
8 HG3 ARG 1 1HG ARG 1 4.586 13.647 1.520
9 HD2 ARG 1 2HD ARG 1 4.214 11.585 0.556
10 HD3 ARG 1 1HD ARG 1 2.876 12.160 -0.422
11 HE ARG 1 HE ARG 1 4.929 11.678 -1.823
12 HH11 ARG 1 1HH1 ARG 1 6.674 13.477 -0.013
13 HH12 ARG 1 2HH1 ARG 1 6.870 14.855 -1.042
14 HH21 ARG 1 1HH2 ARG 1 4.298 13.954 -3.188
15 HH22 ARG 1 2HH2 ARG 1 5.526 15.125 -2.841
16 H ILE 2 H ILE 2 1.038 12.179 0.341
17 HA ILE 2 HA ILE 2 -1.400 11.276 1.825
18 HB ILE 2 HB ILE 2 -1.401 12.617 -0.889
19 HG12 ILE 2 2HG1 ILE 2 -2.940 14.002 1.041
20 HG13 ILE 2 1HG1 ILE 2 -1.387 13.621 1.787
21 HG21 ILE 2 1HG2 ILE 2 -3.646 12.109 -1.010
22 HG22 ILE 2 2HG2 ILE 2 -3.861 12.177 0.739
23 HG23 ILE 2 3HG2 ILE 2 -3.146 10.748 -0.007
24 HD11 ILE 2 3HD1 ILE 2 -0.215 14.983 0.383
25 HD12 ILE 2 1HD1 ILE 2 -1.773 15.785 0.193
26 HD13 ILE 2 2HD1 ILE 2 -1.240 14.600 -0.999
27 H CYS 3 H CYS 3 -1.385 9.102 1.625
28 HA CYS 3 HA CYS 3 -0.767 8.109 -1.115
29 HB2 CYS 3 2HB CYS 3 -0.199 6.658 1.489
30 HB3 CYS 3 1HB CYS 3 0.107 6.018 -0.121
31 H TYR 4 H TYR 4 -1.855 5.883 -1.530
32 HA TYR 4 HA TYR 4 -4.654 6.190 -0.827
33 HB2 TYR 4 2HB TYR 4 -3.120 4.318 -2.562
34 HB3 TYR 4 1HB TYR 4 -4.686 3.786 -1.970
35 HD1 TYR 4 1HD TYR 4 -6.416 5.989 -1.928
36 HD2 TYR 4 2HD TYR 4 -3.252 5.202 -4.722
37 HE1 TYR 4 1HE TYR 4 -7.561 7.395 -3.618
38 HE2 TYR 4 2HE TYR 4 -4.397 6.608 -6.413
39 HH TYR 4 HH TYR 4 -7.095 7.293 -6.712
40 H ASN 5 H ASN 5 -5.884 4.694 0.410
41 HA ASN 5 HA ASN 5 -4.227 3.216 2.397
42 HB2 ASN 5 2HB ASN 5 -5.306 4.820 3.651
43 HB3 ASN 5 1HB ASN 5 -6.721 4.850 2.603
44 HD21 ASN 5 1HD2 ASN 5 -5.208 1.953 4.021
45 HD22 ASN 5 2HD2 ASN 5 -6.558 1.494 4.927
46 H HIS 6 H HIS 6 -7.137 2.934 0.321
47 HA HIS 6 HA HIS 6 -8.008 0.520 1.537
48 HB2 HIS 6 2HB HIS 6 -9.078 2.060 -0.401
49 HB3 HIS 6 1HB HIS 6 -8.623 0.631 -1.310
50 HD1 HIS 6 1HD HIS 6 -10.510 1.523 1.877
51 HD2 HIS 6 2HD HIS 6 -10.352 -1.483 -1.009
52 HE1 HIS 6 1HE HIS 6 -12.410 -0.069 2.397
53 H LEU 7 H LEU 7 -8.145 -1.562 0.529
54 HA LEU 7 HA LEU 7 -5.462 -2.355 -0.487
55 HB2 LEU 7 2HB LEU 7 -6.705 -4.693 0.317
56 HB3 LEU 7 1HB LEU 7 -5.557 -3.762 1.276
57 HG LEU 7 HG LEU 7 -8.532 -3.199 1.290
58 HD11 LEU 7 1HD1 LEU 7 -8.719 -4.528 3.284
59 HD12 LEU 7 2HD1 LEU 7 -6.977 -4.798 3.335
60 HD13 LEU 7 3HD1 LEU 7 -7.948 -5.539 2.064
61 HD21 LEU 7 3HD2 LEU 7 -7.057 -2.587 3.697
62 HD22 LEU 7 1HD2 LEU 7 -7.956 -1.493 2.647
63 HD23 LEU 7 2HD2 LEU 7 -6.262 -1.847 2.309
64 H GLY 8 H GLY 8 -5.277 -3.887 -2.140
65 HA2 GLY 8 2HA GLY 8 -6.055 -5.327 -3.868
66 HA3 GLY 8 1HA GLY 8 -7.694 -4.754 -3.577
67 H THR 9 H THR 9 -6.714 -4.918 -6.173
68 HA THR 9 HA THR 9 -5.515 -2.475 -7.106
69 HB THR 9 HB THR 9 -7.032 -3.568 -9.216
70 HG1 THR 9 1HG THR 9 -7.460 -5.353 -7.899
71 HG21 THR 9 3HG2 THR 9 -4.209 -4.360 -8.516
72 HG22 THR 9 1HG2 THR 9 -4.600 -2.720 -9.034
73 HG23 THR 9 2HG2 THR 9 -4.907 -4.082 -10.111
74 H LYS 10 H LYS 10 -8.692 -3.173 -6.038
75 HA LYS 10 HA LYS 10 -10.248 -1.478 -7.711
76 HB2 LYS 10 2HB LYS 10 -11.595 -1.163 -5.478
77 HB3 LYS 10 1HB LYS 10 -11.511 -2.767 -6.204
78 HG2 LYS 10 2HG LYS 10 -9.970 -3.540 -4.625
79 HG3 LYS 10 1HG LYS 10 -9.431 -1.911 -4.211
80 HD2 LYS 10 2HD LYS 10 -11.093 -1.613 -2.695
81 HD3 LYS 10 1HD LYS 10 -12.297 -2.387 -3.724
82 HE2 LYS 10 2HE LYS 10 -10.162 -4.060 -2.435
83 HE3 LYS 10 1HE LYS 10 -11.564 -3.559 -1.490
84 HZ1 LYS 10 3HZ LYS 10 -12.139 -4.601 -4.134
85 HZ2 LYS 10 1HZ LYS 10 -12.937 -4.872 -2.662
86 HZ3 LYS 10 2HZ LYS 10 -11.518 -5.731 -3.029
87 HA PRO 11 HA PRO 11 -8.953 2.569 -6.599
88 HB2 PRO 11 2HB PRO 11 -11.348 3.923 -6.430
89 HB3 PRO 11 1HB PRO 11 -10.588 3.453 -7.960
90 HG2 PRO 11 2HG PRO 11 -12.922 2.212 -6.558
91 HG3 PRO 11 1HG PRO 11 -12.568 2.294 -8.292
92 HD2 PRO 11 2HD PRO 11 -12.175 0.037 -6.687
93 HD3 PRO 11 1HD PRO 11 -11.396 0.311 -8.259
94 HA PRO 12 HA PRO 12 -9.564 2.136 -2.162
95 HB2 PRO 12 2HB PRO 12 -7.079 3.121 -1.504
96 HB3 PRO 12 1HB PRO 12 -7.344 1.451 -2.010
97 HG2 PRO 12 2HG PRO 12 -6.109 3.660 -3.494
98 HG3 PRO 12 1HG PRO 12 -5.915 1.924 -3.723
99 HD2 PRO 12 2HD PRO 12 -7.525 3.677 -5.301
100 HD3 PRO 12 1HD PRO 12 -7.475 1.905 -5.394
101 H THR 13 H THR 13 -8.762 3.893 -0.308
102 HA THR 13 HA THR 13 -9.720 6.556 -1.308
103 HB THR 13 HB THR 13 -10.562 6.941 0.985
104 HG1 THR 13 1HG THR 13 -9.717 4.268 1.410
105 HG21 THR 13 3HG2 THR 13 -12.511 5.841 0.569
106 HG22 THR 13 1HG2 THR 13 -11.714 4.274 0.435
107 HG23 THR 13 2HG2 THR 13 -11.711 5.385 -0.934
108 H THR 14 H THR 14 -8.135 8.111 -1.231
109 HA THR 14 HA THR 14 -5.539 7.588 -0.294
110 HB THR 14 HB THR 14 -5.364 10.171 -0.157
111 HG1 THR 14 1HG THR 14 -7.105 11.235 -0.680
112 HG21 THR 14 3HG2 THR 14 -4.472 9.820 -2.172
113 HG22 THR 14 1HG2 THR 14 -6.078 9.703 -2.891
114 HG23 THR 14 2HG2 THR 14 -5.296 8.262 -2.242
115 H GLU 15 H GLU 15 -4.429 8.092 1.527
116 HA GLU 15 HA GLU 15 -5.965 9.074 3.880
117 HB2 GLU 15 2HB GLU 15 -4.543 6.450 3.576
118 HB3 GLU 15 1HB GLU 15 -4.480 7.260 5.138
119 HG2 GLU 15 2HG GLU 15 -6.958 6.375 3.636
120 HG3 GLU 15 1HG GLU 15 -6.378 5.780 5.190
121 H THR 16 H THR 16 -4.829 10.905 4.356
122 HA THR 16 HA THR 16 -2.084 11.273 3.607
123 HB THR 16 HB THR 16 -2.537 13.061 5.689
124 HG1 THR 16 1HG THR 16 -4.668 12.188 5.853
125 HG21 THR 16 3HG2 THR 16 -3.130 13.165 2.737
126 HG22 THR 16 1HG2 THR 16 -1.733 13.814 3.592
127 HG23 THR 16 2HG2 THR 16 -3.310 14.581 3.772
128 H CYS 17 H CYS 17 -0.232 10.865 4.748
129 HA CYS 17 HA CYS 17 -0.474 10.010 7.589
130 HB2 CYS 17 2HB CYS 17 1.191 8.460 5.597
131 HB3 CYS 17 1HB CYS 17 0.766 8.001 7.246
132 H GLN 18 H GLN 18 2.175 9.352 8.031
133 HA GLN 18 HA GLN 18 3.448 12.003 7.680
134 HB2 GLN 18 2HB GLN 18 3.469 10.945 9.913
135 HB3 GLN 18 1HB GLN 18 4.376 9.589 9.253
136 HG2 GLN 18 2HG GLN 18 5.847 11.322 10.323
137 HG3 GLN 18 1HG GLN 18 6.215 11.036 8.626
138 HE21 GLN 18 1HE2 GLN 18 5.383 12.655 7.034
139 HE22 GLN 18 2HE2 GLN 18 5.042 14.239 7.535
140 H GLU 19 H GLU 19 4.054 8.591 6.999
141 HA GLU 19 HA GLU 19 6.627 9.049 5.802
142 HB2 GLU 19 2HB GLU 19 5.194 6.808 4.609
143 HB3 GLU 19 1HB GLU 19 6.705 6.813 5.508
144 HG2 GLU 19 2HG GLU 19 5.147 7.186 7.591
145 HG3 GLU 19 1HG GLU 19 3.900 6.517 6.537
146 H ASP 20 H ASP 20 7.077 9.931 3.875
147 HA ASP 20 HA ASP 20 4.891 10.765 2.132
148 HB2 ASP 20 2HB ASP 20 7.420 11.002 0.785
149 HB3 ASP 20 1HB ASP 20 6.370 12.282 1.381
150 H SER 21 H SER 21 6.536 7.905 2.581
151 HA SER 21 HA SER 21 6.558 7.122 -0.229
152 HB2 SER 21 2HB SER 21 6.750 5.132 1.995
153 HB3 SER 21 1HB SER 21 7.627 5.177 0.474
154 HG SER 21 HG SER 21 8.671 5.841 2.625
155 H CYS 22 H CYS 22 5.291 4.928 -0.674
156 HA CYS 22 HA CYS 22 2.750 4.825 0.855
157 HB2 CYS 22 2HB CYS 22 2.716 4.881 -2.167
158 HB3 CYS 22 1HB CYS 22 1.354 5.033 -1.061
159 H TYR 23 H TYR 23 2.233 2.665 1.193
160 HA TYR 23 HA TYR 23 3.804 0.742 -0.441
161 HB2 TYR 23 2HB TYR 23 3.588 -0.861 1.319
162 HB3 TYR 23 1HB TYR 23 4.080 0.652 2.057
163 HD1 TYR 23 1HD TYR 23 1.033 -1.365 1.241
164 HD2 TYR 23 2HD TYR 23 2.827 1.564 3.820
165 HE1 TYR 23 1HE TYR 23 -0.954 -1.450 2.719
166 HE2 TYR 23 2HE TYR 23 0.837 1.480 5.295
167 HH TYR 23 HH TYR 23 -1.122 -0.677 5.619
168 H LYS 24 H LYS 24 2.867 -0.607 -1.727
169 HA LYS 24 HA LYS 24 -0.085 -1.040 -1.633
170 HB2 LYS 24 2HB LYS 24 0.147 -0.944 -4.215
171 HB3 LYS 24 1HB LYS 24 0.102 0.578 -3.335
172 HG2 LYS 24 2HG LYS 24 2.266 1.037 -3.761
173 HG3 LYS 24 1HG LYS 24 2.762 -0.628 -3.542
174 HD2 LYS 24 2HD LYS 24 2.942 -0.792 -5.763
175 HD3 LYS 24 1HD LYS 24 1.182 -0.676 -5.831
176 HE2 LYS 24 2HE LYS 24 1.229 1.480 -6.561
177 HE3 LYS 24 1HE LYS 24 2.552 1.912 -5.479
178 HZ1 LYS 24 3HZ LYS 24 4.127 1.027 -6.964
179 HZ2 LYS 24 1HZ LYS 24 3.073 1.947 -7.922
180 HZ3 LYS 24 2HZ LYS 24 2.942 0.252 -7.903
181 H ASN 25 H ASN 25 1.011 -2.920 -0.590
182 HA ASN 25 HA ASN 25 1.988 -4.888 -2.607
183 HB2 ASN 25 2HB ASN 25 2.873 -6.024 -0.407
184 HB3 ASN 25 1HB ASN 25 3.707 -4.645 -1.096
185 HD21 ASN 25 1HD2 ASN 25 2.921 -2.421 -0.191
186 HD22 ASN 25 2HD2 ASN 25 2.573 -2.379 1.474
187 H ILE 26 H ILE 26 1.591 -7.244 -1.792
188 HA ILE 26 HA ILE 26 -1.293 -7.614 -1.655
189 HB ILE 26 HB ILE 26 -0.826 -9.874 -2.124
190 HG12 ILE 26 2HG1 ILE 26 1.834 -9.305 -0.791
191 HG13 ILE 26 1HG1 ILE 26 0.600 -10.462 -0.290
192 HG21 ILE 26 1HG2 ILE 26 0.556 -9.727 -4.006
193 HG22 ILE 26 2HG2 ILE 26 1.703 -8.656 -3.202
194 HG23 ILE 26 3HG2 ILE 26 0.144 -8.033 -3.741
195 HD11 ILE 26 3HD1 ILE 26 2.632 -10.662 -2.445
196 HD12 ILE 26 1HD1 ILE 26 1.056 -11.388 -2.756
197 HD13 ILE 26 2HD1 ILE 26 2.008 -11.910 -1.365
198 H TRP 27 H TRP 27 1.421 -8.140 0.577
199 HA TRP 27 HA TRP 27 0.216 -9.665 2.556
200 HB2 TRP 27 2HB TRP 27 1.925 -7.200 2.965
201 HB3 TRP 27 1HB TRP 27 1.622 -8.435 4.190
202 HD1 TRP 27 HD TRP 27 3.424 -7.896 0.856
203 HE1 TRP 27 1HE TRP 27 5.119 -9.809 0.507
204 HE3 TRP 27 3HE TRP 27 2.203 -10.878 4.820
205 HZ2 TRP 27 2HZ TRP 27 5.855 -12.284 1.754
206 HZ3 TRP 27 3HZ TRP 27 3.414 -13.004 5.214
207 HH2 TRP 27 HH TRP 27 5.237 -13.709 3.689
208 H THR 28 H THR 28 -1.913 -9.387 3.085
209 HA THR 28 HA THR 28 -2.659 -6.943 4.532
210 HB THR 28 HB THR 28 -3.064 -6.507 2.055
211 HG1 THR 28 1HG THR 28 -4.847 -5.410 2.565
212 HG21 THR 28 3HG2 THR 28 -5.430 -8.335 2.373
213 HG22 THR 28 1HG2 THR 28 -3.888 -8.960 1.789
214 HG23 THR 28 2HG2 THR 28 -4.720 -7.689 0.895
215 H PHE 29 H PHE 29 -5.539 -7.599 4.102
216 HA PHE 29 HA PHE 29 -6.095 -9.167 6.314
217 HB2 PHE 29 2HB PHE 29 -7.738 -7.910 4.786
218 HB3 PHE 29 1HB PHE 29 -7.765 -9.376 3.804
219 HD1 PHE 29 1HD PHE 29 -8.317 -8.088 7.256
220 HD2 PHE 29 2HD PHE 29 -9.053 -11.261 4.457
221 HE1 PHE 29 1HE PHE 29 -9.925 -9.113 8.841
222 HE2 PHE 29 2HE PHE 29 -10.661 -12.287 6.042
223 HZ PHE 29 HZ PHE 29 -11.097 -11.213 8.235
224 H ASP 30 H ASP 30 -6.556 -10.575 3.057
225 HA ASP 30 HA ASP 30 -5.277 -13.066 4.100
226 HB2 ASP 30 2HB ASP 30 -8.005 -12.715 3.466
227 HB3 ASP 30 1HB ASP 30 -7.315 -13.633 2.127
228 H ASN 31 H ASN 31 -6.631 -11.892 0.991
229 HA ASN 31 HA ASN 31 -3.933 -12.227 -0.212
230 HB2 ASN 31 2HB ASN 31 -6.423 -13.730 -0.933
231 HB3 ASN 31 1HB ASN 31 -5.307 -13.275 -2.222
232 HD21 ASN 31 1HD2 ASN 31 -5.963 -15.770 -0.114
233 HD22 ASN 31 2HD2 ASN 31 -4.416 -16.460 -0.008
234 H ILE 32 H ILE 32 -4.535 -9.761 0.136
235 HA ILE 32 HA ILE 32 -5.596 -8.829 -2.484
236 HB ILE 32 HB ILE 32 -6.463 -7.848 0.241
237 HG12 ILE 32 2HG1 ILE 32 -8.240 -8.397 -2.079
238 HG13 ILE 32 1HG1 ILE 32 -7.576 -9.775 -1.195
239 HG21 ILE 32 1HG2 ILE 32 -6.821 -6.556 -2.470
240 HG22 ILE 32 2HG2 ILE 32 -5.968 -5.884 -1.084
241 HG23 ILE 32 3HG2 ILE 32 -7.714 -6.093 -1.023
242 HD11 ILE 32 3HD1 ILE 32 -9.613 -7.816 -0.347
243 HD12 ILE 32 1HD1 ILE 32 -8.364 -8.131 0.858
244 HD13 ILE 32 2HD1 ILE 32 -9.331 -9.461 0.222
245 H ILE 33 H ILE 33 -5.006 -6.508 -2.834
246 HA ILE 33 HA ILE 33 -2.203 -6.103 -2.020
247 HB ILE 33 HB ILE 33 -3.873 -4.162 -3.618
248 HG12 ILE 33 2HG1 ILE 33 -4.260 -6.399 -4.551
249 HG13 ILE 33 1HG1 ILE 33 -3.245 -5.449 -5.638
250 HG21 ILE 33 1HG2 ILE 33 -1.870 -3.154 -3.774
251 HG22 ILE 33 2HG2 ILE 33 -1.283 -4.557 -4.669
252 HG23 ILE 33 3HG2 ILE 33 -1.090 -4.485 -2.918
253 HD11 ILE 33 3HD1 ILE 33 -1.605 -6.835 -3.703
254 HD12 ILE 33 1HD1 ILE 33 -1.570 -6.945 -5.463
255 HD13 ILE 33 2HD1 ILE 33 -2.657 -7.982 -4.535
256 H ARG 34 H ARG 34 -1.582 -3.885 -1.073
257 HA ARG 34 HA ARG 34 -3.863 -2.622 0.334
258 HB2 ARG 34 2HB ARG 34 -2.556 -4.372 1.786
259 HB3 ARG 34 1HB ARG 34 -1.388 -3.056 1.935
260 HG2 ARG 34 2HG ARG 34 -2.925 -1.634 2.998
261 HG3 ARG 34 1HG ARG 34 -4.301 -2.486 2.321
262 HD2 ARG 34 2HD ARG 34 -4.363 -3.251 4.514
263 HD3 ARG 34 1HD ARG 34 -3.384 -4.503 3.752
264 HE ARG 34 HE ARG 34 -1.380 -3.094 4.579
265 HH11 ARG 34 1HH2 ARG 34 -3.892 -1.478 5.839
266 HH12 ARG 34 2HH2 ARG 34 -3.563 -1.803 7.509
267 HH21 ARG 34 1HH1 ARG 34 -1.199 -4.249 6.839
268 HH22 ARG 34 2HH1 ARG 34 -2.038 -3.373 8.074
269 H ARG 35 H ARG 35 -3.795 -0.633 -0.349
270 HA ARG 35 HA ARG 35 -1.229 0.700 -0.938
271 HB2 ARG 35 2HB ARG 35 -4.093 1.628 -1.267
272 HB3 ARG 35 1HB ARG 35 -2.680 2.556 -1.748
273 HG2 ARG 35 2HG ARG 35 -3.100 1.510 -3.755
274 HG3 ARG 35 1HG ARG 35 -2.090 0.270 -3.014
275 HD2 ARG 35 2HD ARG 35 -4.221 -0.773 -2.115
276 HD3 ARG 35 1HD ARG 35 -5.114 0.351 -3.135
277 HE ARG 35 HE ARG 35 -3.594 -1.981 -4.054
278 HH11 ARG 35 1HH1 ARG 35 -6.070 0.097 -4.773
279 HH12 ARG 35 2HH1 ARG 35 -5.742 0.218 -6.470
280 HH21 ARG 35 1HH2 ARG 35 -2.683 -1.408 -6.262
281 HH22 ARG 35 2HH2 ARG 35 -3.822 -0.635 -7.313
282 H GLY 36 H GLY 36 -0.224 1.752 0.690
283 HA2 GLY 36 2HA GLY 36 -1.877 3.276 2.630
284 HA3 GLY 36 1HA GLY 36 -0.722 2.108 3.266
285 H CYS 37 H CYS 37 0.235 4.098 4.286
286 HA CYS 37 HA CYS 37 1.904 5.643 2.340
287 HB2 CYS 37 2HB CYS 37 1.520 6.496 5.193
288 HB3 CYS 37 1HB CYS 37 1.813 7.486 3.765
289 H GLY 38 H GLY 38 3.949 4.797 2.264
290 HA2 GLY 38 2HA GLY 38 6.070 4.708 3.626
291 HA3 GLY 38 1HA GLY 38 5.127 3.818 4.824
292 H CYS 39 H CYS 39 6.810 2.112 4.402
293 HA CYS 39 HA CYS 39 6.262 0.634 1.872
294 HB2 CYS 39 2HB CYS 39 8.569 0.284 3.815
295 HB3 CYS 39 1HB CYS 39 8.378 -0.524 2.256
296 H PHE 40 H PHE 40 7.023 -1.877 2.616
297 HA PHE 40 HA PHE 40 4.720 -2.709 4.238
298 HB2 PHE 40 2HB PHE 40 6.079 -5.029 3.735
299 HB3 PHE 40 1HB PHE 40 4.885 -4.335 2.642
300 HD1 PHE 40 1HD PHE 40 5.589 -2.949 0.732
301 HD2 PHE 40 2HD PHE 40 8.428 -4.968 3.235
302 HE1 PHE 40 1HE PHE 40 7.352 -2.559 -0.967
303 HE2 PHE 40 2HE PHE 40 10.199 -4.587 1.531
304 HZ PHE 40 HZ PHE 40 9.661 -3.383 -0.572
305 H THR 41 H THR 41 5.351 -4.705 5.757
306 HA THR 41 HA THR 41 7.177 -3.520 7.736
307 HB THR 41 HB THR 41 5.658 -6.057 8.227
308 HG1 THR 41 1HG THR 41 4.068 -4.774 7.462
309 HG21 THR 41 3HG2 THR 41 6.232 -3.679 9.996
310 HG22 THR 41 1HG2 THR 41 7.330 -5.050 9.841
311 HG23 THR 41 2HG2 THR 41 5.708 -5.289 10.488
312 HA PRO 42 HA PRO 42 9.334 -7.673 7.248
313 HB2 PRO 42 2HB PRO 42 8.395 -9.472 5.396
314 HB3 PRO 42 1HB PRO 42 7.802 -9.390 7.063
315 HG2 PRO 42 2HG PRO 42 6.432 -8.592 4.570
316 HG3 PRO 42 1HG PRO 42 5.742 -8.908 6.170
317 HD2 PRO 42 2HD PRO 42 6.330 -6.359 4.955
318 HD3 PRO 42 1HD PRO 42 5.599 -6.646 6.546
319 H ARG 43 H ARG 43 9.811 -5.356 5.718
320 HA ARG 43 HA ARG 43 10.272 -5.722 2.968
321 HB2 ARG 43 2HB ARG 43 10.659 -3.548 3.707
322 HB3 ARG 43 1HB ARG 43 11.640 -4.062 5.071
323 HG2 ARG 43 2HG ARG 43 13.407 -4.787 3.451
324 HG3 ARG 43 1HG ARG 43 12.427 -4.128 2.140
325 HD2 ARG 43 2HD ARG 43 13.481 -2.548 4.504
326 HD3 ARG 43 1HD ARG 43 14.152 -2.512 2.873
327 HE ARG 43 HE ARG 43 11.843 -1.636 2.175
328 HH11 ARG 43 1HH2 ARG 43 11.948 -1.883 5.504
329 HH12 ARG 43 2HH2 ARG 43 11.540 -0.231 5.825
330 HH21 ARG 43 1HH1 ARG 43 11.814 0.758 2.513
331 HH22 ARG 43 2HH1 ARG 43 11.463 1.264 4.132
332 H GLY 44 H GLY 44 11.748 -6.853 1.808
333 HA2 GLY 44 2HA GLY 44 14.335 -7.568 2.578
334 HA3 GLY 44 1HA GLY 44 13.285 -8.885 3.099
335 H ASP 45 H ASP 45 14.766 -9.985 1.379
336 HA ASP 45 HA ASP 45 13.888 -9.422 -1.392
337 HB2 ASP 45 2HB ASP 45 16.284 -9.792 -1.015
338 HB3 ASP 45 1HB ASP 45 15.943 -11.374 -0.313
339 H MET 46 H MET 46 12.849 -11.347 1.169
340 HA MET 46 HA MET 46 12.175 -13.721 -0.356
341 HB2 MET 46 2HB MET 46 11.963 -12.861 2.390
342 HB3 MET 46 1HB MET 46 10.443 -13.579 1.854
343 HG2 MET 46 2HG MET 46 11.361 -15.656 1.596
344 HG3 MET 46 1HG MET 46 12.901 -15.016 1.025
345 HE1 MET 46 3HE MET 46 11.475 -15.864 5.257
346 HE2 MET 46 1HE MET 46 11.304 -16.932 3.857
347 HE3 MET 46 2HE MET 46 10.489 -15.370 3.883
348 HA PRO 47 HA PRO 47 7.850 -11.809 -0.593
349 HB2 PRO 47 2HB PRO 47 7.395 -9.411 0.664
350 HB3 PRO 47 1HB PRO 47 7.228 -10.974 1.472
351 HG2 PRO 47 2HG PRO 47 9.363 -8.931 1.784
352 HG3 PRO 47 1HG PRO 47 8.848 -10.196 2.911
353 HD2 PRO 47 2HD PRO 47 11.136 -10.255 1.204
354 HD3 PRO 47 1HD PRO 47 10.515 -11.585 2.197
355 H GLY 48 H GLY 48 6.880 -10.055 -2.012
356 HA2 GLY 48 2HA GLY 48 8.934 -8.233 -3.123
357 HA3 GLY 48 1HA GLY 48 8.001 -9.251 -4.210
358 HA PRO 49 HA PRO 49 4.762 -6.242 -2.498
359 HB2 PRO 49 2HB PRO 49 5.387 -4.726 -0.315
360 HB3 PRO 49 1HB PRO 49 4.734 -6.361 -0.191
361 HG2 PRO 49 2HG PRO 49 7.515 -5.421 0.297
362 HG3 PRO 49 1HG PRO 49 6.673 -6.825 0.968
363 HD2 PRO 49 2HD PRO 49 8.562 -6.863 -1.151
364 HD3 PRO 49 1HD PRO 49 7.499 -8.187 -0.655
365 H TYR 50 H TYR 50 4.588 -3.589 -2.229
366 HA TYR 50 HA TYR 50 6.976 -2.445 -3.599
367 HB2 TYR 50 2HB TYR 50 4.249 -2.693 -4.588
368 HB3 TYR 50 1HB TYR 50 4.809 -1.019 -4.600
369 HD1 TYR 50 2HD TYR 50 5.576 -4.461 -5.771
370 HD2 TYR 50 1HD TYR 50 6.543 -0.286 -6.083
371 HE1 TYR 50 2HE TYR 50 6.977 -4.933 -7.762
372 HE2 TYR 50 1HE TYR 50 7.943 -0.760 -8.073
373 HH TYR 50 HH TYR 50 7.750 -3.196 -9.918
374 H CYS 51 H CYS 51 7.383 -0.280 -3.275
375 HA CYS 51 HA CYS 51 5.775 1.253 -1.251
376 HB2 CYS 51 2HB CYS 51 7.967 0.087 -0.336
377 HB3 CYS 51 1HB CYS 51 8.787 1.329 -1.274
378 H CYS 52 H CYS 52 5.711 3.428 -1.846
379 HA CYS 52 HA CYS 52 7.433 4.248 -4.142
380 HB2 CYS 52 2HB CYS 52 5.200 3.659 -5.010
381 HB3 CYS 52 1HB CYS 52 4.467 4.825 -3.919
382 H GLU 53 H GLU 53 7.595 6.582 -4.345
383 HA GLU 53 HA GLU 53 7.098 7.948 -1.736
384 HB2 GLU 53 2HB GLU 53 9.314 8.756 -3.606
385 HB3 GLU 53 1HB GLU 53 9.165 9.045 -1.871
386 HG2 GLU 53 2HG GLU 53 10.538 7.255 -1.643
387 HG3 GLU 53 1HG GLU 53 9.100 6.298 -1.998
388 H SER 54 H SER 54 5.005 8.314 -3.043
389 HA SER 54 HA SER 54 5.102 11.047 -4.066
390 HB2 SER 54 2HB SER 54 3.620 9.573 -6.034
391 HB3 SER 54 1HB SER 54 5.028 10.604 -6.274
392 HG SER 54 HG SER 54 6.306 8.892 -6.214
393 H ASP 55 H ASP 55 2.969 11.980 -3.991
394 HA ASP 55 HA ASP 55 1.220 10.662 -2.128
395 HB2 ASP 55 2HB ASP 55 0.179 12.846 -3.872
396 HB3 ASP 55 1HB ASP 55 -0.038 12.592 -2.144
397 H LYS 56 H LYS 56 -0.614 9.496 -2.497
398 HA LYS 56 HA LYS 56 -2.085 8.099 -3.690
399 HB2 LYS 56 2HB LYS 56 -2.996 10.256 -4.443
400 HB3 LYS 56 1HB LYS 56 -1.791 10.327 -5.728
401 HG2 LYS 56 2HG LYS 56 -3.020 7.801 -5.960
402 HG3 LYS 56 1HG LYS 56 -4.329 8.954 -5.706
403 HD2 LYS 56 2HD LYS 56 -2.658 10.269 -7.490
404 HD3 LYS 56 1HD LYS 56 -2.597 8.594 -8.036
405 HE2 LYS 56 2HE LYS 56 -4.487 9.324 -9.163
406 HE3 LYS 56 1HE LYS 56 -5.218 8.723 -7.673
407 HZ1 LYS 56 3HZ LYS 56 -4.819 11.472 -8.573
408 HZ2 LYS 56 1HZ LYS 56 -4.683 11.172 -6.909
409 HZ3 LYS 56 2HZ LYS 56 -6.122 10.785 -7.727
410 H CYS 57 H CYS 57 0.729 7.528 -3.891
411 HA CYS 57 HA CYS 57 1.241 6.914 -6.723
412 HB2 CYS 57 2HB CYS 57 2.972 7.643 -4.932
413 HB3 CYS 57 1HB CYS 57 2.915 5.961 -4.411
414 H ASN 58 H ASN 58 0.167 5.174 -3.839
415 HA ASN 58 HA ASN 58 0.737 2.539 -4.412
416 HB2 ASN 58 2HB ASN 58 -2.119 3.090 -3.781
417 HB3 ASN 58 1HB ASN 58 -1.012 1.944 -3.042
418 HD21 ASN 58 1HD2 ASN 58 -0.380 2.503 -0.996
419 HD22 ASN 58 2HD2 ASN 58 -0.408 4.072 -0.345
420 H LEU 59 H LEU 59 -1.407 4.655 -6.185
421 HA LEU 59 HA LEU 59 -2.328 2.351 -7.813
422 HB2 LEU 59 2HB LEU 59 -3.395 5.013 -7.153
423 HB3 LEU 59 1HB LEU 59 -3.565 4.582 -8.856
424 HG LEU 59 HG LEU 59 -5.531 3.798 -7.657
425 HD11 LEU 59 1HD1 LEU 59 -4.243 1.180 -7.852
426 HD12 LEU 59 2HD1 LEU 59 -3.876 2.213 -9.234
427 HD13 LEU 59 3HD1 LEU 59 -5.553 1.859 -8.819
428 HD21 LEU 59 3HD2 LEU 59 -5.474 2.670 -5.641
429 HD22 LEU 59 1HD2 LEU 59 -3.979 3.587 -5.475
430 HD23 LEU 59 2HD2 LEU 59 -3.927 1.903 -5.992
Start of MODEL 18
1 H1 ARG 1 1HT ARG 1 2.270 11.312 3.349
2 H2 ARG 1 2HT ARG 1 3.149 12.674 3.853
3 H3 ARG 1 3HT ARG 1 3.506 11.932 2.372
4 HA ARG 1 HA ARG 1 1.445 13.814 3.074
5 HB2 ARG 1 2HB ARG 1 1.797 14.590 0.838
6 HB3 ARG 1 1HB ARG 1 3.378 14.188 1.491
7 HG2 ARG 1 2HG ARG 1 1.883 12.140 -0.098
8 HG3 ARG 1 1HG ARG 1 2.716 13.426 -0.918
9 HD2 ARG 1 2HD ARG 1 4.583 12.250 -0.777
10 HD3 ARG 1 1HD ARG 1 4.557 12.482 0.964
11 HE ARG 1 HE ARG 1 4.404 10.003 -0.144
12 HH11 ARG 1 1HH2 ARG 1 1.377 10.562 -0.284
13 HH12 ARG 1 2HH2 ARG 1 0.840 9.894 1.207
14 HH21 ARG 1 1HH1 ARG 1 3.984 9.572 2.537
15 HH22 ARG 1 2HH1 ARG 1 2.294 9.325 2.774
16 H ILE 2 H ILE 2 0.339 13.075 0.122
17 HA ILE 2 HA ILE 2 -1.826 11.415 1.293
18 HB ILE 2 HB ILE 2 -1.529 12.845 -1.347
19 HG12 ILE 2 2HG1 ILE 2 -3.753 13.779 -0.161
20 HG13 ILE 2 1HG1 ILE 2 -2.873 13.221 1.265
21 HG21 ILE 2 1HG2 ILE 2 -3.980 12.174 -1.625
22 HG22 ILE 2 2HG2 ILE 2 -3.692 10.966 -0.371
23 HG23 ILE 2 3HG2 ILE 2 -2.800 10.891 -1.891
24 HD11 ILE 2 3HD1 ILE 2 -1.143 14.740 0.970
25 HD12 ILE 2 1HD1 ILE 2 -2.502 15.679 0.353
26 HD13 ILE 2 2HD1 ILE 2 -1.412 14.864 -0.769
27 H CYS 3 H CYS 3 -1.368 9.206 1.321
28 HA CYS 3 HA CYS 3 -0.069 8.113 -1.098
29 HB2 CYS 3 2HB CYS 3 -0.773 6.720 1.499
30 HB3 CYS 3 1HB CYS 3 0.047 5.960 0.149
31 H TYR 4 H TYR 4 -1.055 5.684 -1.497
32 HA TYR 4 HA TYR 4 -3.900 6.207 -2.195
33 HB2 TYR 4 2HB TYR 4 -1.732 4.823 -3.479
34 HB3 TYR 4 1HB TYR 4 -3.031 3.676 -3.171
35 HD1 TYR 4 2HD TYR 4 -5.423 4.358 -3.880
36 HD2 TYR 4 1HD TYR 4 -1.876 6.362 -5.240
37 HE1 TYR 4 2HE TYR 4 -6.683 5.301 -5.794
38 HE2 TYR 4 1HE TYR 4 -3.134 7.305 -7.151
39 HH TYR 4 HH TYR 4 -6.633 6.808 -7.465
40 H ASN 5 H ASN 5 -5.532 5.007 -1.278
41 HA ASN 5 HA ASN 5 -4.726 2.965 0.747
42 HB2 ASN 5 2HB ASN 5 -5.729 4.887 1.829
43 HB3 ASN 5 1HB ASN 5 -7.084 4.875 0.704
44 HD21 ASN 5 1HD2 ASN 5 -5.808 1.830 1.924
45 HD22 ASN 5 2HD2 ASN 5 -7.129 1.474 2.923
46 H HIS 6 H HIS 6 -5.376 2.664 -2.209
47 HA HIS 6 HA HIS 6 -7.967 1.477 -2.462
48 HB2 HIS 6 2HB HIS 6 -7.203 1.782 -4.566
49 HB3 HIS 6 1HB HIS 6 -5.531 1.686 -4.084
50 HD1 HIS 6 1HD HIS 6 -7.598 0.118 -6.338
51 HD2 HIS 6 2HD HIS 6 -5.184 -1.446 -3.323
52 HE1 HIS 6 1HE HIS 6 -7.115 -2.279 -6.977
53 H LEU 7 H LEU 7 -8.684 -0.566 -2.071
54 HA LEU 7 HA LEU 7 -6.791 -2.381 -0.642
55 HB2 LEU 7 2HB LEU 7 -9.730 -1.860 -0.435
56 HB3 LEU 7 1HB LEU 7 -9.131 -3.464 -0.016
57 HG LEU 7 HG LEU 7 -9.239 -1.827 1.915
58 HD11 LEU 7 1HD1 LEU 7 -7.830 -3.487 2.568
59 HD12 LEU 7 2HD1 LEU 7 -6.563 -2.293 2.288
60 HD13 LEU 7 3HD1 LEU 7 -6.954 -3.474 1.038
61 HD21 LEU 7 3HD2 LEU 7 -8.364 0.066 0.378
62 HD22 LEU 7 1HD2 LEU 7 -6.767 -0.625 0.668
63 HD23 LEU 7 2HD2 LEU 7 -7.723 -0.016 2.018
64 H GLY 8 H GLY 8 -6.017 -4.010 -1.923
65 HA2 GLY 8 2HA GLY 8 -5.945 -5.419 -3.846
66 HA3 GLY 8 1HA GLY 8 -7.251 -6.156 -2.932
67 H THR 9 H THR 9 -8.975 -6.568 -4.208
68 HA THR 9 HA THR 9 -9.379 -4.979 -6.669
69 HB THR 9 HB THR 9 -9.521 -7.472 -6.715
70 HG1 THR 9 1HG THR 9 -11.867 -7.337 -7.558
71 HG21 THR 9 3HG2 THR 9 -12.171 -7.256 -5.326
72 HG22 THR 9 1HG2 THR 9 -10.699 -7.393 -4.363
73 HG23 THR 9 2HG2 THR 9 -11.122 -8.660 -5.514
74 H LYS 10 H LYS 10 -10.029 -4.068 -3.787
75 HA LYS 10 HA LYS 10 -12.954 -3.702 -3.944
76 HB2 LYS 10 2HB LYS 10 -11.236 -2.295 -1.925
77 HB3 LYS 10 1HB LYS 10 -12.831 -3.023 -1.726
78 HG2 LYS 10 2HG LYS 10 -11.180 -5.170 -2.427
79 HG3 LYS 10 1HG LYS 10 -10.213 -4.216 -1.306
80 HD2 LYS 10 2HD LYS 10 -11.468 -5.718 0.053
81 HD3 LYS 10 1HD LYS 10 -12.273 -4.156 0.202
82 HE2 LYS 10 2HE LYS 10 -14.158 -4.913 -0.794
83 HE3 LYS 10 1HE LYS 10 -13.254 -5.731 -2.067
84 HZ1 LYS 10 3HZ LYS 10 -12.667 -7.343 -0.117
85 HZ2 LYS 10 1HZ LYS 10 -14.129 -7.503 -0.961
86 HZ3 LYS 10 2HZ LYS 10 -14.105 -6.732 0.553
87 HA PRO 11 HA PRO 11 -12.797 0.421 -5.497
88 HB2 PRO 11 2HB PRO 11 -13.761 2.162 -3.591
89 HB3 PRO 11 1HB PRO 11 -14.782 1.060 -4.532
90 HG2 PRO 11 2HG PRO 11 -13.939 0.863 -1.683
91 HG3 PRO 11 1HG PRO 11 -15.370 0.188 -2.478
92 HD2 PRO 11 2HD PRO 11 -13.027 -1.227 -1.782
93 HD3 PRO 11 1HD PRO 11 -14.318 -1.818 -2.851
94 HA PRO 12 HA PRO 12 -8.861 1.930 -4.132
95 HB2 PRO 12 2HB PRO 12 -8.433 3.608 -6.267
96 HB3 PRO 12 1HB PRO 12 -8.200 1.855 -6.334
97 HG2 PRO 12 2HG PRO 12 -10.412 3.499 -7.468
98 HG3 PRO 12 1HG PRO 12 -9.797 1.926 -8.002
99 HD2 PRO 12 2HD PRO 12 -12.152 2.357 -6.491
100 HD3 PRO 12 1HD PRO 12 -11.346 0.794 -6.746
101 H THR 13 H THR 13 -8.457 3.508 -2.666
102 HA THR 13 HA THR 13 -9.549 6.228 -3.157
103 HB THR 13 HB THR 13 -11.173 5.919 -1.608
104 HG1 THR 13 1HG THR 13 -9.932 7.090 -0.275
105 HG21 THR 13 3HG2 THR 13 -11.086 3.974 0.038
106 HG22 THR 13 1HG2 THR 13 -9.606 3.471 -0.777
107 HG23 THR 13 2HG2 THR 13 -11.127 3.529 -1.668
108 H THR 14 H THR 14 -8.148 7.836 -2.389
109 HA THR 14 HA THR 14 -5.546 6.831 -1.371
110 HB THR 14 HB THR 14 -4.930 9.339 -1.762
111 HG1 THR 14 1HG THR 14 -6.737 10.348 -2.237
112 HG21 THR 14 3HG2 THR 14 -3.847 8.107 -3.316
113 HG22 THR 14 1HG2 THR 14 -5.132 8.629 -4.406
114 HG23 THR 14 2HG2 THR 14 -5.243 7.068 -3.593
115 H GLU 15 H GLU 15 -4.494 8.127 0.369
116 HA GLU 15 HA GLU 15 -6.380 9.554 2.157
117 HB2 GLU 15 2HB GLU 15 -5.568 8.183 4.107
118 HB3 GLU 15 1HB GLU 15 -6.547 7.271 2.958
119 HG2 GLU 15 2HG GLU 15 -4.733 5.834 3.278
120 HG3 GLU 15 1HG GLU 15 -4.238 6.724 1.837
121 H THR 16 H THR 16 -4.968 10.303 4.189
122 HA THR 16 HA THR 16 -2.372 11.265 3.058
123 HB THR 16 HB THR 16 -3.381 12.769 5.353
124 HG1 THR 16 1HG THR 16 -5.331 13.094 4.702
125 HG21 THR 16 3HG2 THR 16 -2.166 14.319 4.274
126 HG22 THR 16 1HG2 THR 16 -3.243 14.229 2.881
127 HG23 THR 16 2HG2 THR 16 -1.857 13.146 2.994
128 H CYS 17 H CYS 17 -0.536 11.007 4.293
129 HA CYS 17 HA CYS 17 -0.835 9.915 7.046
130 HB2 CYS 17 2HB CYS 17 -0.385 8.235 4.951
131 HB3 CYS 17 1HB CYS 17 1.270 8.662 5.385
132 H GLN 18 H GLN 18 1.661 9.626 7.866
133 HA GLN 18 HA GLN 18 2.834 12.314 7.445
134 HB2 GLN 18 2HB GLN 18 2.545 11.489 9.765
135 HB3 GLN 18 1HB GLN 18 3.646 10.161 9.409
136 HG2 GLN 18 2HG GLN 18 4.783 12.136 10.484
137 HG3 GLN 18 1HG GLN 18 5.451 11.692 8.920
138 HE21 GLN 18 1HE2 GLN 18 4.779 13.034 7.017
139 HE22 GLN 18 2HE2 GLN 18 4.246 14.627 7.250
140 H GLU 19 H GLU 19 3.768 8.897 7.309
141 HA GLU 19 HA GLU 19 6.463 9.429 6.462
142 HB2 GLU 19 2HB GLU 19 5.440 7.008 5.223
143 HB3 GLU 19 1HB GLU 19 6.710 7.168 6.425
144 HG2 GLU 19 2HG GLU 19 3.726 7.084 6.986
145 HG3 GLU 19 1HG GLU 19 4.877 5.787 7.301
146 H ASP 20 H ASP 20 7.071 10.309 4.558
147 HA ASP 20 HA ASP 20 5.164 10.868 2.471
148 HB2 ASP 20 2HB ASP 20 7.754 10.815 1.298
149 HB3 ASP 20 1HB ASP 20 6.766 12.211 1.700
150 H SER 21 H SER 21 6.754 8.046 3.387
151 HA SER 21 HA SER 21 6.980 6.906 0.740
152 HB2 SER 21 2HB SER 21 6.890 4.980 2.915
153 HB3 SER 21 1HB SER 21 8.203 5.332 1.795
154 HG SER 21 HG SER 21 7.715 6.280 4.341
155 H CYS 22 H CYS 22 5.463 5.476 -0.222
156 HA CYS 22 HA CYS 22 2.955 4.974 1.312
157 HB2 CYS 22 2HB CYS 22 3.139 5.503 -1.671
158 HB3 CYS 22 1HB CYS 22 1.673 5.279 -0.728
159 H TYR 23 H TYR 23 2.877 2.809 1.613
160 HA TYR 23 HA TYR 23 4.283 1.175 -0.416
161 HB2 TYR 23 2HB TYR 23 4.949 -0.326 1.194
162 HB3 TYR 23 1HB TYR 23 5.011 1.198 2.057
163 HD1 TYR 23 1HD TYR 23 2.062 1.618 2.619
164 HD2 TYR 23 2HD TYR 23 4.519 -1.898 2.869
165 HE1 TYR 23 1HE TYR 23 0.547 0.677 4.333
166 HE2 TYR 23 2HE TYR 23 2.996 -2.837 4.581
167 HH TYR 23 HH TYR 23 0.621 -2.568 5.272
168 H LYS 24 H LYS 24 3.361 -0.274 -1.503
169 HA LYS 24 HA LYS 24 0.591 -1.089 -0.797
170 HB2 LYS 24 2HB LYS 24 0.177 0.242 -2.641
171 HB3 LYS 24 1HB LYS 24 1.725 -0.124 -3.385
172 HG2 LYS 24 2HG LYS 24 0.764 -2.543 -3.606
173 HG3 LYS 24 1HG LYS 24 -0.794 -1.747 -3.361
174 HD2 LYS 24 2HD LYS 24 0.895 -0.291 -5.221
175 HD3 LYS 24 1HD LYS 24 0.581 -1.939 -5.767
176 HE2 LYS 24 2HE LYS 24 -1.858 -0.935 -4.727
177 HE3 LYS 24 1HE LYS 24 -1.195 0.318 -5.776
178 HZ1 LYS 24 3HZ LYS 24 -2.313 -2.216 -6.470
179 HZ2 LYS 24 1HZ LYS 24 -0.765 -2.017 -7.132
180 HZ3 LYS 24 2HZ LYS 24 -1.980 -0.876 -7.459
181 H ASN 25 H ASN 25 0.713 -3.078 -0.177
182 HA ASN 25 HA ASN 25 2.609 -4.939 -1.532
183 HB2 ASN 25 2HB ASN 25 2.326 -6.065 0.893
184 HB3 ASN 25 1HB ASN 25 3.526 -4.823 0.581
185 HD21 ASN 25 1HD2 ASN 25 2.561 -2.461 0.842
186 HD22 ASN 25 2HD2 ASN 25 1.583 -2.222 2.206
187 H ILE 26 H ILE 26 1.936 -7.240 -1.420
188 HA ILE 26 HA ILE 26 -0.973 -7.490 -1.895
189 HB ILE 26 HB ILE 26 -0.459 -9.595 -2.915
190 HG12 ILE 26 2HG1 ILE 26 2.109 -10.279 -2.740
191 HG13 ILE 26 1HG1 ILE 26 2.004 -9.376 -1.228
192 HG21 ILE 26 1HG2 ILE 26 1.667 -7.509 -3.439
193 HG22 ILE 26 2HG2 ILE 26 0.204 -7.825 -4.372
194 HG23 ILE 26 3HG2 ILE 26 1.537 -8.980 -4.401
195 HD11 ILE 26 3HD1 ILE 26 1.121 -11.229 -0.292
196 HD12 ILE 26 1HD1 ILE 26 0.962 -12.015 -1.863
197 HD13 ILE 26 2HD1 ILE 26 -0.314 -10.949 -1.276
198 H TRP 27 H TRP 27 1.472 -8.339 0.433
199 HA TRP 27 HA TRP 27 0.114 -10.451 1.796
200 HB2 TRP 27 2HB TRP 27 1.856 -8.354 3.092
201 HB3 TRP 27 1HB TRP 27 1.619 -10.023 3.611
202 HD1 TRP 27 HD TRP 27 3.655 -7.891 1.264
203 HE1 TRP 27 1HE TRP 27 5.359 -9.373 0.011
204 HE3 TRP 27 3HE TRP 27 1.955 -12.515 2.605
205 HZ2 TRP 27 2HZ TRP 27 5.916 -12.152 -0.373
206 HZ3 TRP 27 3HZ TRP 27 3.088 -14.559 1.784
207 HH2 TRP 27 HH TRP 27 5.065 -14.384 0.297
208 H THR 28 H THR 28 -1.700 -10.363 3.065
209 HA THR 28 HA THR 28 -2.309 -7.949 4.596
210 HB THR 28 HB THR 28 -3.145 -7.541 2.230
211 HG1 THR 28 1HG THR 28 -4.003 -6.639 4.277
212 HG21 THR 28 3HG2 THR 28 -4.562 -8.996 1.246
213 HG22 THR 28 1HG2 THR 28 -5.581 -9.082 2.682
214 HG23 THR 28 2HG2 THR 28 -4.162 -10.119 2.546
215 H PHE 29 H PHE 29 -5.177 -8.701 4.743
216 HA PHE 29 HA PHE 29 -4.820 -11.151 6.416
217 HB2 PHE 29 2HB PHE 29 -5.754 -8.684 7.174
218 HB3 PHE 29 1HB PHE 29 -7.255 -9.538 6.818
219 HD1 PHE 29 2HD PHE 29 -4.152 -9.611 8.848
220 HD2 PHE 29 1HD PHE 29 -8.021 -11.356 8.186
221 HE1 PHE 29 2HE PHE 29 -3.967 -10.839 10.995
222 HE2 PHE 29 1HE PHE 29 -7.836 -12.583 10.333
223 HZ PHE 29 HZ PHE 29 -5.808 -12.324 11.737
224 H ASP 30 H ASP 30 -7.718 -9.603 5.017
225 HA ASP 30 HA ASP 30 -8.415 -12.269 3.860
226 HB2 ASP 30 2HB ASP 30 -9.916 -10.358 5.433
227 HB3 ASP 30 1HB ASP 30 -10.707 -10.629 3.880
228 H ASN 31 H ASN 31 -7.726 -8.967 3.153
229 HA ASN 31 HA ASN 31 -9.002 -9.063 0.499
230 HB2 ASN 31 2HB ASN 31 -7.127 -6.939 1.566
231 HB3 ASN 31 1HB ASN 31 -8.315 -6.779 0.272
232 HD21 ASN 31 1HD2 ASN 31 -10.683 -7.301 1.046
233 HD22 ASN 31 2HD2 ASN 31 -11.116 -6.707 2.575
234 H ILE 32 H ILE 32 -6.460 -7.392 -0.374
235 HA ILE 32 HA ILE 32 -4.485 -9.552 -0.612
236 HB ILE 32 HB ILE 32 -5.721 -10.252 -2.467
237 HG12 ILE 32 2HG1 ILE 32 -4.496 -9.433 -4.489
238 HG13 ILE 32 1HG1 ILE 32 -3.773 -8.174 -3.490
239 HG21 ILE 32 1HG2 ILE 32 -7.204 -9.004 -3.652
240 HG22 ILE 32 2HG2 ILE 32 -6.109 -7.628 -3.769
241 HG23 ILE 32 3HG2 ILE 32 -7.044 -7.889 -2.297
242 HD11 ILE 32 3HD1 ILE 32 -3.456 -11.168 -3.173
243 HD12 ILE 32 1HD1 ILE 32 -2.912 -10.000 -1.969
244 HD13 ILE 32 2HD1 ILE 32 -2.201 -9.998 -3.582
245 H ILE 33 H ILE 33 -5.149 -6.612 -2.544
246 HA ILE 33 HA ILE 33 -2.372 -5.744 -2.031
247 HB ILE 33 HB ILE 33 -4.364 -4.107 -3.565
248 HG12 ILE 33 2HG1 ILE 33 -4.572 -6.525 -4.255
249 HG13 ILE 33 1HG1 ILE 33 -4.038 -5.446 -5.543
250 HG21 ILE 33 1HG2 ILE 33 -2.386 -2.983 -3.712
251 HG22 ILE 33 2HG2 ILE 33 -2.042 -4.163 -4.977
252 HG23 ILE 33 3HG2 ILE 33 -1.429 -4.419 -3.344
253 HD11 ILE 33 3HD1 ILE 33 -1.761 -6.134 -5.295
254 HD12 ILE 33 1HD1 ILE 33 -2.720 -7.614 -5.310
255 HD13 ILE 33 2HD1 ILE 33 -2.112 -6.973 -3.784
256 H ARG 34 H ARG 34 -1.852 -3.869 -0.901
257 HA ARG 34 HA ARG 34 -4.074 -2.281 0.230
258 HB2 ARG 34 2HB ARG 34 -3.390 -4.197 1.820
259 HB3 ARG 34 1HB ARG 34 -1.924 -3.247 2.085
260 HG2 ARG 34 2HG ARG 34 -3.193 -1.349 2.819
261 HG3 ARG 34 1HG ARG 34 -4.702 -2.098 2.334
262 HD2 ARG 34 2HD ARG 34 -4.774 -3.483 4.160
263 HD3 ARG 34 1HD ARG 34 -3.019 -3.613 4.258
264 HE ARG 34 HE ARG 34 -3.351 -1.043 5.013
265 HH11 ARG 34 1HH1 ARG 34 -6.184 -2.579 5.435
266 HH12 ARG 34 2HH1 ARG 34 -6.170 -2.614 7.167
267 HH21 ARG 34 1HH2 ARG 34 -2.848 -1.652 7.422
268 HH22 ARG 34 2HH2 ARG 34 -4.280 -2.091 8.292
269 H ARG 35 H ARG 35 -3.557 -0.298 -0.320
270 HA ARG 35 HA ARG 35 -0.723 0.544 -0.460
271 HB2 ARG 35 2HB ARG 35 -3.247 1.934 -1.392
272 HB3 ARG 35 1HB ARG 35 -1.614 2.515 -1.653
273 HG2 ARG 35 2HG ARG 35 -1.295 1.122 -3.396
274 HG3 ARG 35 1HG ARG 35 -1.906 -0.257 -2.483
275 HD2 ARG 35 2HD ARG 35 -3.895 -0.140 -3.514
276 HD3 ARG 35 1HD ARG 35 -4.054 1.564 -3.099
277 HE ARG 35 HE ARG 35 -2.399 1.787 -5.188
278 HH11 ARG 35 1HH1 ARG 35 -3.535 -1.195 -5.485
279 HH12 ARG 35 2HH1 ARG 35 -4.612 -0.925 -6.813
280 HH21 ARG 35 1HH2 ARG 35 -4.464 2.531 -6.574
281 HH22 ARG 35 2HH2 ARG 35 -5.140 1.184 -7.429
282 H GLY 36 H GLY 36 0.104 1.455 1.313
283 HA2 GLY 36 2HA GLY 36 -1.662 3.190 2.990
284 HA3 GLY 36 1HA GLY 36 -0.571 2.024 3.726
285 H CYS 37 H CYS 37 0.620 3.618 4.793
286 HA CYS 37 HA CYS 37 2.359 5.296 3.037
287 HB2 CYS 37 2HB CYS 37 2.371 6.992 4.832
288 HB3 CYS 37 1HB CYS 37 0.728 6.702 4.256
289 H GLY 38 H GLY 38 4.460 4.633 3.254
290 HA2 GLY 38 2HA GLY 38 6.387 4.301 4.755
291 HA3 GLY 38 1HA GLY 38 5.278 3.586 5.933
292 H CYS 39 H CYS 39 7.674 2.580 4.238
293 HA CYS 39 HA CYS 39 6.715 0.630 2.400
294 HB2 CYS 39 2HB CYS 39 9.202 0.394 4.109
295 HB3 CYS 39 1HB CYS 39 8.871 -0.482 2.620
296 H PHE 40 H PHE 40 6.888 -1.752 2.715
297 HA PHE 40 HA PHE 40 5.108 -2.596 4.806
298 HB2 PHE 40 2HB PHE 40 6.252 -4.950 3.973
299 HB3 PHE 40 1HB PHE 40 4.895 -4.168 3.163
300 HD1 PHE 40 1HD PHE 40 8.516 -4.775 3.095
301 HD2 PHE 40 2HD PHE 40 5.206 -2.895 1.116
302 HE1 PHE 40 1HE PHE 40 9.943 -4.373 1.103
303 HE2 PHE 40 2HE PHE 40 6.623 -2.496 -0.882
304 HZ PHE 40 HZ PHE 40 8.998 -3.228 -0.890
305 H THR 41 H THR 41 5.912 -4.706 6.077
306 HA THR 41 HA THR 41 8.076 -3.684 7.777
307 HB THR 41 HB THR 41 5.837 -5.597 8.127
308 HG1 THR 41 1HG THR 41 6.281 -3.294 8.899
309 HG21 THR 41 3HG2 THR 41 6.833 -6.661 10.075
310 HG22 THR 41 1HG2 THR 41 8.327 -5.749 9.852
311 HG23 THR 41 2HG2 THR 41 7.858 -6.978 8.676
312 HA PRO 42 HA PRO 42 10.064 -7.827 6.745
313 HB2 PRO 42 2HB PRO 42 8.750 -9.602 5.114
314 HB3 PRO 42 1HB PRO 42 8.518 -9.527 6.869
315 HG2 PRO 42 2HG PRO 42 6.671 -8.684 4.716
316 HG3 PRO 42 1HG PRO 42 6.319 -9.034 6.416
317 HD2 PRO 42 2HD PRO 42 6.636 -6.459 5.169
318 HD3 PRO 42 1HD PRO 42 6.291 -6.791 6.879
319 H ARG 43 H ARG 43 10.311 -5.526 5.094
320 HA ARG 43 HA ARG 43 10.238 -5.989 2.303
321 HB2 ARG 43 2HB ARG 43 12.190 -4.384 2.200
322 HB3 ARG 43 1HB ARG 43 10.812 -3.794 3.117
323 HG2 ARG 43 2HG ARG 43 11.905 -4.561 5.217
324 HG3 ARG 43 1HG ARG 43 13.307 -5.058 4.271
325 HD2 ARG 43 2HD ARG 43 12.210 -2.237 4.441
326 HD3 ARG 43 1HD ARG 43 13.663 -2.825 5.249
327 HE ARG 43 HE ARG 43 13.861 -3.328 2.432
328 HH11 ARG 43 1HH1 ARG 43 15.033 -1.477 4.951
329 HH12 ARG 43 2HH1 ARG 43 15.566 -0.150 3.973
330 HH21 ARG 43 1HH2 ARG 43 14.063 -1.332 1.081
331 HH22 ARG 43 2HH2 ARG 43 15.017 -0.068 1.782
332 H GLY 44 H GLY 44 12.010 -6.666 0.860
333 HA2 GLY 44 2HA GLY 44 14.478 -7.646 1.480
334 HA3 GLY 44 1HA GLY 44 13.409 -8.959 1.963
335 H ASP 45 H ASP 45 14.801 -9.994 0.157
336 HA ASP 45 HA ASP 45 13.875 -9.283 -2.563
337 HB2 ASP 45 2HB ASP 45 15.516 -11.145 -3.200
338 HB3 ASP 45 1HB ASP 45 16.216 -9.703 -2.463
339 H MET 46 H MET 46 12.828 -11.289 -0.075
340 HA MET 46 HA MET 46 12.001 -13.518 -1.791
341 HB2 MET 46 2HB MET 46 10.627 -13.301 0.795
342 HB3 MET 46 1HB MET 46 11.554 -14.638 0.122
343 HG2 MET 46 2HG MET 46 13.644 -13.223 0.628
344 HG3 MET 46 1HG MET 46 12.582 -12.229 1.625
345 HE1 MET 46 3HE MET 46 14.224 -15.360 0.816
346 HE2 MET 46 1HE MET 46 14.267 -16.343 2.285
347 HE3 MET 46 2HE MET 46 15.192 -14.846 2.195
348 HA PRO 47 HA PRO 47 7.778 -11.408 -1.270
349 HB2 PRO 47 2HB PRO 47 7.672 -9.086 0.192
350 HB3 PRO 47 1HB PRO 47 7.510 -10.692 0.915
351 HG2 PRO 47 2HG PRO 47 9.793 -8.801 1.063
352 HG3 PRO 47 1HG PRO 47 9.375 -10.137 2.147
353 HD2 PRO 47 2HD PRO 47 11.371 -10.138 0.093
354 HD3 PRO 47 1HD PRO 47 10.867 -11.514 1.092
355 H GLY 48 H GLY 48 6.737 -9.468 -2.401
356 HA2 GLY 48 2HA GLY 48 8.699 -7.605 -3.575
357 HA3 GLY 48 1HA GLY 48 7.757 -8.592 -4.682
358 HA PRO 49 HA PRO 49 4.472 -5.801 -2.766
359 HB2 PRO 49 2HB PRO 49 5.048 -4.446 -0.446
360 HB3 PRO 49 1HB PRO 49 4.363 -6.077 -0.497
361 HG2 PRO 49 2HG PRO 49 7.109 -5.252 0.237
362 HG3 PRO 49 1HG PRO 49 6.246 -6.733 0.632
363 HD2 PRO 49 2HD PRO 49 8.242 -6.408 -1.385
364 HD3 PRO 49 1HD PRO 49 7.243 -7.831 -1.064
365 H TYR 50 H TYR 50 4.430 -3.105 -1.913
366 HA TYR 50 HA TYR 50 6.573 -1.881 -3.604
367 HB2 TYR 50 2HB TYR 50 3.793 -2.015 -4.165
368 HB3 TYR 50 1HB TYR 50 4.177 -0.333 -3.797
369 HD1 TYR 50 1HD TYR 50 5.731 -3.220 -5.634
370 HD2 TYR 50 2HD TYR 50 4.870 0.988 -5.580
371 HE1 TYR 50 1HE TYR 50 6.797 -2.974 -7.858
372 HE2 TYR 50 2HE TYR 50 5.936 1.235 -7.805
373 HH TYR 50 HH TYR 50 7.225 -1.596 -9.548
374 H CYS 51 H CYS 51 7.061 0.302 -3.210
375 HA CYS 51 HA CYS 51 5.967 1.759 -0.890
376 HB2 CYS 51 2HB CYS 51 7.850 0.144 -0.054
377 HB3 CYS 51 1HB CYS 51 8.933 1.251 -0.901
378 H CYS 52 H CYS 52 6.368 3.949 -1.205
379 HA CYS 52 HA CYS 52 8.398 4.856 -3.123
380 HB2 CYS 52 2HB CYS 52 6.603 4.386 -4.675
381 HB3 CYS 52 1HB CYS 52 5.448 5.227 -3.651
382 H GLU 53 H GLU 53 8.581 7.188 -3.053
383 HA GLU 53 HA GLU 53 7.463 8.258 -0.496
384 HB2 GLU 53 2HB GLU 53 9.805 9.511 -1.887
385 HB3 GLU 53 1HB GLU 53 9.411 9.470 -0.167
386 HG2 GLU 53 2HG GLU 53 9.828 6.992 -0.196
387 HG3 GLU 53 1HG GLU 53 10.402 7.159 -1.856
388 H SER 54 H SER 54 5.557 8.584 -2.154
389 HA SER 54 HA SER 54 5.501 11.444 -2.715
390 HB2 SER 54 2HB SER 54 4.987 9.637 -5.071
391 HB3 SER 54 1HB SER 54 5.212 11.380 -5.045
392 HG SER 54 HG SER 54 7.042 9.450 -5.316
393 H ASP 55 H ASP 55 3.234 12.099 -3.372
394 HA ASP 55 HA ASP 55 1.383 10.405 -1.942
395 HB2 ASP 55 2HB ASP 55 -0.098 12.270 -3.516
396 HB3 ASP 55 1HB ASP 55 0.140 12.236 -1.773
397 H LYS 56 H LYS 56 -0.543 9.503 -2.782
398 HA LYS 56 HA LYS 56 -1.436 7.841 -4.216
399 HB2 LYS 56 2HB LYS 56 -0.929 10.029 -6.255
400 HB3 LYS 56 1HB LYS 56 -2.144 8.754 -6.355
401 HG2 LYS 56 2HG LYS 56 -2.928 9.740 -4.035
402 HG3 LYS 56 1HG LYS 56 -2.090 11.186 -4.600
403 HD2 LYS 56 2HD LYS 56 -4.306 9.716 -6.059
404 HD3 LYS 56 1HD LYS 56 -4.440 11.290 -5.274
405 HE2 LYS 56 2HE LYS 56 -2.639 12.134 -6.818
406 HE3 LYS 56 1HE LYS 56 -2.723 10.593 -7.671
407 HZ1 LYS 56 3HZ LYS 56 -4.268 12.778 -8.167
408 HZ2 LYS 56 1HZ LYS 56 -5.299 11.774 -7.270
409 HZ3 LYS 56 2HZ LYS 56 -4.584 11.195 -8.698
410 H CYS 57 H CYS 57 1.551 7.862 -3.908
411 HA CYS 57 HA CYS 57 2.639 7.244 -6.536
412 HB2 CYS 57 2HB CYS 57 3.799 8.042 -4.262
413 HB3 CYS 57 1HB CYS 57 4.005 6.304 -4.063
414 H ASN 58 H ASN 58 1.079 5.338 -4.012
415 HA ASN 58 HA ASN 58 2.008 2.875 -5.324
416 HB2 ASN 58 2HB ASN 58 0.638 1.827 -3.371
417 HB3 ASN 58 1HB ASN 58 2.189 2.573 -3.010
418 HD21 ASN 58 1HD2 ASN 58 0.535 2.430 -0.851
419 HD22 ASN 58 2HD2 ASN 58 -0.227 3.922 -0.526
420 H LEU 59 H LEU 59 0.296 4.493 -6.842
421 HA LEU 59 HA LEU 59 -2.465 3.655 -6.614
422 HB2 LEU 59 2HB LEU 59 -1.940 5.728 -7.760
423 HB3 LEU 59 1HB LEU 59 -0.877 4.891 -8.886
424 HG LEU 59 HG LEU 59 -3.243 5.502 -9.713
425 HD11 LEU 59 1HD1 LEU 59 -1.545 3.275 -10.197
426 HD12 LEU 59 2HD1 LEU 59 -2.714 4.004 -11.299
427 HD13 LEU 59 3HD1 LEU 59 -3.205 2.681 -10.242
428 HD21 LEU 59 3HD2 LEU 59 -4.030 4.256 -7.400
429 HD22 LEU 59 1HD2 LEU 59 -4.242 2.966 -8.582
430 HD23 LEU 59 2HD2 LEU 59 -5.070 4.505 -8.799
Start of MODEL 19
1 H1 ARG 1 1HT ARG 1 3.397 10.363 3.043
2 H2 ARG 1 2HT ARG 1 2.142 10.526 4.176
3 H3 ARG 1 3HT ARG 1 3.539 11.484 4.307
4 HA ARG 1 HA ARG 1 2.021 12.941 3.404
5 HB2 ARG 1 2HB ARG 1 3.082 13.513 1.427
6 HB3 ARG 1 1HB ARG 1 4.231 12.341 2.057
7 HG2 ARG 1 2HG ARG 1 2.415 10.770 0.649
8 HG3 ARG 1 1HG ARG 1 2.596 12.203 -0.354
9 HD2 ARG 1 2HD ARG 1 4.915 10.625 0.758
10 HD3 ARG 1 1HD ARG 1 4.245 10.366 -0.840
11 HE ARG 1 HE ARG 1 5.917 12.010 -1.288
12 HH11 ARG 1 1HH2 ARG 1 5.848 13.049 1.661
13 HH12 ARG 1 2HH2 ARG 1 5.386 14.691 1.375
14 HH21 ARG 1 1HH1 ARG 1 4.514 14.158 -1.925
15 HH22 ARG 1 2HH1 ARG 1 4.625 15.315 -0.645
16 H ILE 2 H ILE 2 1.002 12.663 0.572
17 HA ILE 2 HA ILE 2 -1.441 11.168 1.299
18 HB ILE 2 HB ILE 2 -0.709 12.803 -1.143
19 HG12 ILE 2 2HG1 ILE 2 -2.885 13.951 -0.081
20 HG13 ILE 2 1HG1 ILE 2 -2.238 13.178 1.367
21 HG21 ILE 2 1HG2 ILE 2 -2.981 12.429 -1.932
22 HG22 ILE 2 2HG2 ILE 2 -3.348 11.449 -0.512
23 HG23 ILE 2 3HG2 ILE 2 -2.195 10.866 -1.713
24 HD11 ILE 2 3HD1 ILE 2 -0.104 14.444 -0.113
25 HD12 ILE 2 1HD1 ILE 2 -0.620 14.738 1.548
26 HD13 ILE 2 2HD1 ILE 2 -1.384 15.611 0.220
27 H CYS 3 H CYS 3 -1.380 8.970 1.004
28 HA CYS 3 HA CYS 3 -0.170 8.089 -1.564
29 HB2 CYS 3 2HB CYS 3 -0.226 6.477 1.006
30 HB3 CYS 3 1HB CYS 3 0.485 5.966 -0.520
31 H TYR 4 H TYR 4 -1.147 5.867 -2.265
32 HA TYR 4 HA TYR 4 -4.039 6.235 -2.289
33 HB2 TYR 4 2HB TYR 4 -2.085 4.624 -3.749
34 HB3 TYR 4 1HB TYR 4 -3.539 3.712 -3.359
35 HD1 TYR 4 2HD TYR 4 -2.436 7.004 -4.733
36 HD2 TYR 4 1HD TYR 4 -5.467 3.973 -4.674
37 HE1 TYR 4 2HE TYR 4 -3.636 8.184 -6.547
38 HE2 TYR 4 1HE TYR 4 -6.673 5.148 -6.492
39 HH TYR 4 HH TYR 4 -6.303 6.738 -8.221
40 H ASN 5 H ASN 5 -5.553 5.067 -1.144
41 HA ASN 5 HA ASN 5 -4.512 3.073 0.820
42 HB2 ASN 5 2HB ASN 5 -5.424 5.016 1.952
43 HB3 ASN 5 1HB ASN 5 -6.894 4.943 0.983
44 HD21 ASN 5 1HD2 ASN 5 -5.427 1.951 2.114
45 HD22 ASN 5 2HD2 ASN 5 -6.616 1.593 3.269
46 H HIS 6 H HIS 6 -5.481 2.760 -2.037
47 HA HIS 6 HA HIS 6 -8.066 1.491 -1.926
48 HB2 HIS 6 2HB HIS 6 -7.537 2.181 -4.056
49 HB3 HIS 6 1HB HIS 6 -5.861 1.686 -3.936
50 HD1 HIS 6 1HD HIS 6 -5.700 0.061 -5.871
51 HD2 HIS 6 2HD HIS 6 -8.997 -0.713 -3.443
52 HE1 HIS 6 1HE HIS 6 -6.694 -2.121 -6.685
53 H LEU 7 H LEU 7 -8.592 -0.607 -1.645
54 HA LEU 7 HA LEU 7 -6.414 -2.422 -0.699
55 HB2 LEU 7 2HB LEU 7 -9.289 -2.075 0.012
56 HB3 LEU 7 1HB LEU 7 -8.618 -3.704 0.109
57 HG LEU 7 HG LEU 7 -6.655 -2.540 1.389
58 HD11 LEU 7 1HD1 LEU 7 -7.198 -0.243 1.068
59 HD12 LEU 7 2HD1 LEU 7 -7.629 -0.588 2.744
60 HD13 LEU 7 3HD1 LEU 7 -8.885 -0.503 1.510
61 HD21 LEU 7 3HD2 LEU 7 -8.165 -4.144 2.437
62 HD22 LEU 7 1HD2 LEU 7 -9.427 -2.918 2.567
63 HD23 LEU 7 2HD2 LEU 7 -7.953 -2.770 3.524
64 H GLY 8 H GLY 8 -5.842 -4.055 -2.003
65 HA2 GLY 8 2HA GLY 8 -5.960 -5.059 -4.254
66 HA3 GLY 8 1HA GLY 8 -6.790 -6.138 -3.142
67 H THR 9 H THR 9 -9.088 -6.262 -3.227
68 HA THR 9 HA THR 9 -10.205 -5.301 -5.802
69 HB THR 9 HB THR 9 -10.347 -7.739 -4.954
70 HG1 THR 9 1HG THR 9 -11.643 -7.511 -6.592
71 HG21 THR 9 3HG2 THR 9 -11.212 -6.822 -2.666
72 HG22 THR 9 1HG2 THR 9 -11.935 -8.290 -3.325
73 HG23 THR 9 2HG2 THR 9 -12.773 -6.746 -3.482
74 H LYS 10 H LYS 10 -10.607 -4.840 -2.344
75 HA LYS 10 HA LYS 10 -13.177 -3.757 -2.170
76 HB2 LYS 10 2HB LYS 10 -10.757 -3.665 -0.624
77 HB3 LYS 10 1HB LYS 10 -11.462 -2.049 -0.665
78 HG2 LYS 10 2HG LYS 10 -13.705 -3.237 -0.138
79 HG3 LYS 10 1HG LYS 10 -12.704 -4.614 0.326
80 HD2 LYS 10 2HD LYS 10 -11.411 -2.625 1.643
81 HD3 LYS 10 1HD LYS 10 -13.058 -1.995 1.671
82 HE2 LYS 10 2HE LYS 10 -13.108 -4.812 2.264
83 HE3 LYS 10 1HE LYS 10 -11.960 -4.010 3.334
84 HZ1 LYS 10 3HZ LYS 10 -14.732 -3.067 2.858
85 HZ2 LYS 10 1HZ LYS 10 -13.631 -2.462 3.998
86 HZ3 LYS 10 2HZ LYS 10 -14.266 -4.028 4.179
87 HA PRO 11 HA PRO 11 -13.199 0.058 -4.322
88 HB2 PRO 11 2HB PRO 11 -14.025 1.944 -2.485
89 HB3 PRO 11 1HB PRO 11 -15.103 0.758 -3.243
90 HG2 PRO 11 2HG PRO 11 -13.977 0.778 -0.477
91 HG3 PRO 11 1HG PRO 11 -15.495 0.081 -1.065
92 HD2 PRO 11 2HD PRO 11 -13.168 -1.372 -0.496
93 HD3 PRO 11 1HD PRO 11 -14.519 -1.960 -1.488
94 HA PRO 12 HA PRO 12 -9.163 1.660 -3.460
95 HB2 PRO 12 2HB PRO 12 -8.932 3.143 -5.766
96 HB3 PRO 12 1HB PRO 12 -8.701 1.388 -5.694
97 HG2 PRO 12 2HG PRO 12 -11.014 2.934 -6.768
98 HG3 PRO 12 1HG PRO 12 -10.437 1.320 -7.217
99 HD2 PRO 12 2HD PRO 12 -12.652 1.878 -5.551
100 HD3 PRO 12 1HD PRO 12 -11.855 0.300 -5.729
101 H THR 13 H THR 13 -8.655 3.345 -2.159
102 HA THR 13 HA THR 13 -9.781 6.028 -2.762
103 HB THR 13 HB THR 13 -11.282 5.800 -1.073
104 HG1 THR 13 1HG THR 13 -10.120 5.935 1.076
105 HG21 THR 13 3HG2 THR 13 -11.362 3.512 -0.733
106 HG22 THR 13 1HG2 THR 13 -10.720 4.024 0.827
107 HG23 THR 13 2HG2 THR 13 -9.632 3.396 -0.411
108 H THR 14 H THR 14 -8.350 7.700 -2.175
109 HA THR 14 HA THR 14 -5.621 6.820 -1.560
110 HB THR 14 HB THR 14 -5.127 9.306 -1.707
111 HG1 THR 14 1HG THR 14 -6.935 10.387 -1.449
112 HG21 THR 14 3HG2 THR 14 -4.958 9.158 -4.000
113 HG22 THR 14 1HG2 THR 14 -6.563 8.452 -4.182
114 HG23 THR 14 2HG2 THR 14 -5.224 7.461 -3.601
115 H GLU 15 H GLU 15 -4.423 8.259 0.123
116 HA GLU 15 HA GLU 15 -6.108 9.022 2.419
117 HB2 GLU 15 2HB GLU 15 -4.455 6.537 2.331
118 HB3 GLU 15 1HB GLU 15 -4.453 7.468 3.828
119 HG2 GLU 15 2HG GLU 15 -6.937 6.492 2.388
120 HG3 GLU 15 1HG GLU 15 -6.243 5.756 3.833
121 H THR 16 H THR 16 -4.425 9.499 4.348
122 HA THR 16 HA THR 16 -1.983 10.753 3.190
123 HB THR 16 HB THR 16 -3.344 12.304 5.303
124 HG1 THR 16 1HG THR 16 -4.699 13.228 3.552
125 HG21 THR 16 3HG2 THR 16 -1.491 12.676 3.111
126 HG22 THR 16 1HG2 THR 16 -1.799 13.720 4.498
127 HG23 THR 16 2HG2 THR 16 -2.788 13.870 3.046
128 H CYS 17 H CYS 17 -0.230 10.487 4.503
129 HA CYS 17 HA CYS 17 -0.662 9.833 7.366
130 HB2 CYS 17 2HB CYS 17 1.299 8.207 5.771
131 HB3 CYS 17 1HB CYS 17 0.541 7.825 7.317
132 H GLN 18 H GLN 18 2.009 9.314 8.019
133 HA GLN 18 HA GLN 18 3.142 12.006 7.566
134 HB2 GLN 18 2HB GLN 18 3.087 11.301 9.863
135 HB3 GLN 18 1HB GLN 18 3.881 9.788 9.476
136 HG2 GLN 18 2HG GLN 18 5.296 11.805 10.443
137 HG3 GLN 18 1HG GLN 18 5.959 10.778 9.183
138 HE21 GLN 18 1HE2 GLN 18 3.501 13.391 8.830
139 HE22 GLN 18 2HE2 GLN 18 4.418 14.306 7.732
140 H GLU 19 H GLU 19 4.040 8.620 7.223
141 HA GLU 19 HA GLU 19 6.706 9.130 6.322
142 HB2 GLU 19 2HB GLU 19 5.385 6.793 5.096
143 HB3 GLU 19 1HB GLU 19 6.902 6.884 5.978
144 HG2 GLU 19 2HG GLU 19 5.282 7.366 8.034
145 HG3 GLU 19 1HG GLU 19 4.130 6.486 7.027
146 H ASP 20 H ASP 20 7.431 9.887 4.447
147 HA ASP 20 HA ASP 20 5.591 10.780 2.403
148 HB2 ASP 20 2HB ASP 20 8.038 10.847 1.142
149 HB3 ASP 20 1HB ASP 20 7.378 12.156 2.111
150 H SER 21 H SER 21 6.850 7.772 3.116
151 HA SER 21 HA SER 21 7.159 6.888 0.364
152 HB2 SER 21 2HB SER 21 6.814 4.799 2.387
153 HB3 SER 21 1HB SER 21 8.144 5.047 1.270
154 HG SER 21 HG SER 21 7.717 6.091 3.837
155 H CYS 22 H CYS 22 5.789 4.913 -0.351
156 HA CYS 22 HA CYS 22 3.068 4.868 0.821
157 HB2 CYS 22 2HB CYS 22 3.510 5.223 -2.159
158 HB3 CYS 22 1HB CYS 22 1.967 5.168 -1.318
159 H TYR 23 H TYR 23 2.732 2.697 1.175
160 HA TYR 23 HA TYR 23 4.276 0.834 -0.546
161 HB2 TYR 23 2HB TYR 23 4.108 -0.803 1.159
162 HB3 TYR 23 1HB TYR 23 4.468 0.695 1.992
163 HD1 TYR 23 2HD TYR 23 2.426 2.069 2.887
164 HD2 TYR 23 1HD TYR 23 2.231 -2.069 1.754
165 HE1 TYR 23 2HE TYR 23 0.365 1.794 4.232
166 HE2 TYR 23 1HE TYR 23 0.171 -2.343 3.097
167 HH TYR 23 HH TYR 23 -0.888 0.017 5.334
168 H LYS 24 H LYS 24 3.351 -0.484 -1.897
169 HA LYS 24 HA LYS 24 0.475 -1.139 -1.621
170 HB2 LYS 24 2HB LYS 24 0.168 0.481 -3.196
171 HB3 LYS 24 1HB LYS 24 1.773 0.307 -3.880
172 HG2 LYS 24 2HG LYS 24 0.496 -2.142 -4.412
173 HG3 LYS 24 1HG LYS 24 -0.732 -0.913 -4.701
174 HD2 LYS 24 2HD LYS 24 1.921 -0.185 -5.717
175 HD3 LYS 24 1HD LYS 24 1.228 -1.611 -6.492
176 HE2 LYS 24 2HE LYS 24 -0.850 0.323 -6.201
177 HE3 LYS 24 1HE LYS 24 0.545 1.133 -6.913
178 HZ1 LYS 24 3HZ LYS 24 0.207 0.088 -8.820
179 HZ2 LYS 24 1HZ LYS 24 -1.249 -0.520 -8.197
180 HZ3 LYS 24 2HZ LYS 24 0.179 -1.432 -8.062
181 H ASN 25 H ASN 25 0.925 -3.148 -1.027
182 HA ASN 25 HA ASN 25 2.837 -4.722 -2.640
183 HB2 ASN 25 2HB ASN 25 1.453 -5.869 -0.246
184 HB3 ASN 25 1HB ASN 25 3.119 -6.063 -0.777
185 HD21 ASN 25 1HD2 ASN 25 3.380 -3.001 -1.080
186 HD22 ASN 25 2HD2 ASN 25 3.515 -2.446 0.510
187 H ILE 26 H ILE 26 2.168 -7.055 -3.056
188 HA ILE 26 HA ILE 26 -0.508 -6.980 -4.323
189 HB ILE 26 HB ILE 26 0.243 -8.725 -5.728
190 HG12 ILE 26 2HG1 ILE 26 1.230 -10.056 -3.761
191 HG13 ILE 26 1HG1 ILE 26 2.066 -10.179 -5.301
192 HG21 ILE 26 1HG2 ILE 26 1.322 -6.491 -6.069
193 HG22 ILE 26 2HG2 ILE 26 2.281 -7.843 -6.674
194 HG23 ILE 26 3HG2 ILE 26 2.706 -7.074 -5.145
195 HD11 ILE 26 3HD1 ILE 26 3.867 -9.773 -3.915
196 HD12 ILE 26 1HD1 ILE 26 2.919 -8.809 -2.786
197 HD13 ILE 26 2HD1 ILE 26 3.443 -8.113 -4.317
198 H TRP 27 H TRP 27 1.067 -8.357 -1.599
199 HA TRP 27 HA TRP 27 -1.328 -10.085 -1.209
200 HB2 TRP 27 2HB TRP 27 0.425 -11.512 0.185
201 HB3 TRP 27 1HB TRP 27 0.178 -11.788 -1.539
202 HD1 TRP 27 HD TRP 27 2.189 -8.922 0.098
203 HE1 TRP 27 1HE TRP 27 4.606 -9.023 -0.802
204 HE3 TRP 27 3HE TRP 27 1.918 -13.188 -2.695
205 HZ2 TRP 27 2HZ TRP 27 6.211 -10.696 -2.466
206 HZ3 TRP 27 3HZ TRP 27 3.905 -14.015 -3.922
207 HH2 TRP 27 HH TRP 27 6.050 -12.776 -3.812
208 H THR 28 H THR 28 -1.568 -10.717 1.142
209 HA THR 28 HA THR 28 -0.365 -8.935 3.127
210 HB THR 28 HB THR 28 -3.274 -8.715 2.328
211 HG1 THR 28 1HG THR 28 -2.012 -7.361 1.152
212 HG21 THR 28 3HG2 THR 28 -1.817 -7.694 4.776
213 HG22 THR 28 1HG2 THR 28 -3.232 -8.744 4.732
214 HG23 THR 28 2HG2 THR 28 -3.373 -7.057 4.244
215 H PHE 29 H PHE 29 -1.390 -9.484 5.354
216 HA PHE 29 HA PHE 29 -1.279 -12.242 5.851
217 HB2 PHE 29 2HB PHE 29 -1.530 -10.062 7.436
218 HB3 PHE 29 1HB PHE 29 -3.168 -10.705 7.551
219 HD1 PHE 29 2HD PHE 29 -3.182 -13.425 7.733
220 HD2 PHE 29 1HD PHE 29 -0.031 -10.817 9.043
221 HE1 PHE 29 2HE PHE 29 -2.393 -15.171 9.308
222 HE2 PHE 29 1HE PHE 29 0.758 -12.563 10.619
223 HZ PHE 29 HZ PHE 29 -0.423 -14.738 10.751
224 H ASP 30 H ASP 30 -4.176 -10.239 5.259
225 HA ASP 30 HA ASP 30 -5.633 -12.767 4.599
226 HB2 ASP 30 2HB ASP 30 -6.226 -11.259 6.776
227 HB3 ASP 30 1HB ASP 30 -7.222 -10.451 5.565
228 H ASN 31 H ASN 31 -5.306 -9.277 4.018
229 HA ASN 31 HA ASN 31 -7.130 -9.293 1.744
230 HB2 ASN 31 2HB ASN 31 -5.532 -7.332 3.216
231 HB3 ASN 31 1HB ASN 31 -5.520 -7.045 1.476
232 HD21 ASN 31 1HD2 ASN 31 -7.426 -6.199 0.529
233 HD22 ASN 31 2HD2 ASN 31 -8.866 -5.934 1.387
234 H ILE 32 H ILE 32 -5.909 -8.055 -0.313
235 HA ILE 32 HA ILE 32 -3.693 -9.926 -1.052
236 HB ILE 32 HB ILE 32 -5.452 -8.518 -3.053
237 HG12 ILE 32 2HG1 ILE 32 -7.031 -9.650 -1.615
238 HG13 ILE 32 1HG1 ILE 32 -6.823 -10.649 -3.054
239 HG21 ILE 32 1HG2 ILE 32 -3.575 -9.563 -4.055
240 HG22 ILE 32 2HG2 ILE 32 -4.885 -10.724 -4.269
241 HG23 ILE 32 3HG2 ILE 32 -3.689 -10.969 -2.996
242 HD11 ILE 32 3HD1 ILE 32 -6.210 -11.277 -0.279
243 HD12 ILE 32 1HD1 ILE 32 -4.803 -11.502 -1.317
244 HD13 ILE 32 2HD1 ILE 32 -6.305 -12.355 -1.672
245 H ILE 33 H ILE 33 -4.923 -6.829 -2.379
246 HA ILE 33 HA ILE 33 -2.093 -5.870 -2.379
247 HB ILE 33 HB ILE 33 -4.201 -4.328 -3.801
248 HG12 ILE 33 2HG1 ILE 33 -4.789 -6.680 -4.272
249 HG13 ILE 33 1HG1 ILE 33 -4.186 -5.862 -5.716
250 HG21 ILE 33 1HG2 ILE 33 -1.764 -3.746 -3.769
251 HG22 ILE 33 2HG2 ILE 33 -2.402 -3.999 -5.394
252 HG23 ILE 33 3HG2 ILE 33 -1.435 -5.256 -4.621
253 HD11 ILE 33 3HD1 ILE 33 -2.030 -6.892 -5.492
254 HD12 ILE 33 1HD1 ILE 33 -3.223 -8.178 -5.307
255 HD13 ILE 33 2HD1 ILE 33 -2.425 -7.503 -3.886
256 H ARG 34 H ARG 34 -1.593 -3.921 -1.329
257 HA ARG 34 HA ARG 34 -3.858 -2.377 -0.229
258 HB2 ARG 34 2HB ARG 34 -3.155 -4.151 1.454
259 HB3 ARG 34 1HB ARG 34 -1.651 -3.239 1.621
260 HG2 ARG 34 2HG ARG 34 -2.712 -1.390 2.522
261 HG3 ARG 34 1HG ARG 34 -4.251 -1.772 1.771
262 HD2 ARG 34 2HD ARG 34 -4.828 -3.318 3.402
263 HD3 ARG 34 1HD ARG 34 -3.149 -3.678 3.800
264 HE ARG 34 HE ARG 34 -3.074 -1.554 5.055
265 HH11 ARG 34 1HH2 ARG 34 -5.749 -3.396 5.390
266 HH12 ARG 34 2HH2 ARG 34 -6.834 -2.129 5.861
267 HH21 ARG 34 1HH1 ARG 34 -4.637 0.422 5.029
268 HH22 ARG 34 2HH1 ARG 34 -6.204 0.031 5.656
269 H ARG 35 H ARG 35 -3.437 -0.414 -0.919
270 HA ARG 35 HA ARG 35 -0.657 0.578 -1.104
271 HB2 ARG 35 2HB ARG 35 -3.209 1.976 -1.933
272 HB3 ARG 35 1HB ARG 35 -1.566 2.430 -2.365
273 HG2 ARG 35 2HG ARG 35 -1.605 1.041 -4.125
274 HG3 ARG 35 1HG ARG 35 -1.962 -0.321 -3.064
275 HD2 ARG 35 2HD ARG 35 -4.379 0.373 -3.105
276 HD3 ARG 35 1HD ARG 35 -3.963 1.569 -4.331
277 HE ARG 35 HE ARG 35 -4.127 -1.330 -4.732
278 HH11 ARG 35 1HH1 ARG 35 -2.869 1.709 -5.802
279 HH12 ARG 35 2HH1 ARG 35 -2.629 1.178 -7.432
280 HH21 ARG 35 1HH2 ARG 35 -3.799 -2.031 -6.849
281 HH22 ARG 35 2HH2 ARG 35 -3.152 -0.934 -8.024
282 H GLY 36 H GLY 36 0.147 2.121 0.297
283 HA2 GLY 36 2HA GLY 36 -1.659 3.691 1.991
284 HA3 GLY 36 1HA GLY 36 -0.724 2.486 2.863
285 H CYS 37 H CYS 37 0.426 4.118 3.984
286 HA CYS 37 HA CYS 37 2.412 5.609 2.320
287 HB2 CYS 37 2HB CYS 37 1.734 6.564 5.059
288 HB3 CYS 37 1HB CYS 37 2.196 7.491 3.635
289 H GLY 38 H GLY 38 4.426 4.765 2.649
290 HA2 GLY 38 2HA GLY 38 6.298 4.247 4.079
291 HA3 GLY 38 1HA GLY 38 5.165 3.959 5.402
292 H CYS 39 H CYS 39 7.275 2.220 4.075
293 HA CYS 39 HA CYS 39 5.966 0.120 2.640
294 HB2 CYS 39 2HB CYS 39 8.360 -0.180 4.435
295 HB3 CYS 39 1HB CYS 39 7.936 -1.195 3.067
296 H PHE 40 H PHE 40 5.348 -2.026 3.483
297 HA PHE 40 HA PHE 40 3.723 -1.822 5.834
298 HB2 PHE 40 2HB PHE 40 3.629 -4.374 5.627
299 HB3 PHE 40 1HB PHE 40 3.061 -3.448 4.245
300 HD1 PHE 40 2HD PHE 40 6.627 -3.277 4.652
301 HD2 PHE 40 1HD PHE 40 3.467 -5.693 3.037
302 HE1 PHE 40 2HE PHE 40 8.261 -4.427 3.223
303 HE2 PHE 40 1HE PHE 40 5.113 -6.853 1.599
304 HZ PHE 40 HZ PHE 40 7.513 -6.236 1.699
305 H THR 41 H THR 41 3.992 -3.532 7.694
306 HA THR 41 HA THR 41 6.511 -2.886 8.987
307 HB THR 41 HB THR 41 4.487 -4.811 10.091
308 HG1 THR 41 1HG THR 41 4.357 -1.999 9.846
309 HG21 THR 41 3HG2 THR 41 6.787 -3.302 11.047
310 HG22 THR 41 1HG2 THR 41 5.927 -4.638 11.812
311 HG23 THR 41 2HG2 THR 41 5.343 -2.986 12.009
312 HA PRO 42 HA PRO 42 7.286 -7.565 8.764
313 HB2 PRO 42 2HB PRO 42 5.623 -9.081 7.182
314 HB3 PRO 42 1HB PRO 42 5.320 -8.749 8.896
315 HG2 PRO 42 2HG PRO 42 3.927 -7.660 6.518
316 HG3 PRO 42 1HG PRO 42 3.378 -7.735 8.200
317 HD2 PRO 42 2HD PRO 42 4.454 -5.464 6.814
318 HD3 PRO 42 1HD PRO 42 3.972 -5.541 8.519
319 H ARG 43 H ARG 43 8.285 -5.632 7.011
320 HA ARG 43 HA ARG 43 8.297 -6.412 4.261
321 HB2 ARG 43 2HB ARG 43 10.216 -4.931 4.041
322 HB3 ARG 43 1HB ARG 43 9.048 -4.189 5.128
323 HG2 ARG 43 2HG ARG 43 10.347 -4.556 7.014
324 HG3 ARG 43 1HG ARG 43 11.173 -5.942 6.301
325 HD2 ARG 43 2HD ARG 43 12.333 -4.384 4.726
326 HD3 ARG 43 1HD ARG 43 11.584 -3.029 5.571
327 HE ARG 43 HE ARG 43 13.047 -4.808 7.360
328 HH11 ARG 43 1HH2 ARG 43 14.667 -3.623 4.910
329 HH12 ARG 43 2HH2 ARG 43 15.455 -2.309 5.716
330 HH21 ARG 43 1HH1 ARG 43 13.437 -2.474 8.528
331 HH22 ARG 43 2HH1 ARG 43 14.758 -1.658 7.763
332 H GLY 44 H GLY 44 11.251 -6.457 3.971
333 HA2 GLY 44 2HA GLY 44 12.991 -8.079 4.806
334 HA3 GLY 44 1HA GLY 44 11.691 -9.265 4.807
335 H ASP 45 H ASP 45 13.556 -10.219 3.306
336 HA ASP 45 HA ASP 45 13.436 -9.143 0.562
337 HB2 ASP 45 2HB ASP 45 15.246 -10.807 2.076
338 HB3 ASP 45 1HB ASP 45 14.791 -11.622 0.579
339 H MET 46 H MET 46 11.270 -10.799 2.237
340 HA MET 46 HA MET 46 10.806 -13.007 0.357
341 HB2 MET 46 2HB MET 46 10.014 -12.383 3.035
342 HB3 MET 46 1HB MET 46 8.566 -12.649 2.064
343 HG2 MET 46 2HG MET 46 10.652 -14.592 1.449
344 HG3 MET 46 1HG MET 46 10.198 -14.633 3.154
345 HE1 MET 46 3HE MET 46 8.300 -17.205 3.072
346 HE2 MET 46 1HE MET 46 7.218 -15.960 3.710
347 HE3 MET 46 2HE MET 46 8.955 -15.838 3.971
348 HA PRO 47 HA PRO 47 7.036 -10.300 -0.689
349 HB2 PRO 47 2HB PRO 47 6.836 -7.846 0.530
350 HB3 PRO 47 1HB PRO 47 6.162 -9.337 1.207
351 HG2 PRO 47 2HG PRO 47 8.549 -7.803 2.083
352 HG3 PRO 47 1HG PRO 47 7.551 -8.942 3.001
353 HD2 PRO 47 2HD PRO 47 10.096 -9.459 1.818
354 HD3 PRO 47 1HD PRO 47 9.029 -10.647 2.590
355 H GLY 48 H GLY 48 6.751 -8.659 -2.313
356 HA2 GLY 48 2HA GLY 48 9.076 -6.935 -2.895
357 HA3 GLY 48 1HA GLY 48 8.507 -8.026 -4.156
358 HA PRO 49 HA PRO 49 4.847 -5.029 -3.379
359 HB2 PRO 49 2HB PRO 49 5.173 -3.155 -1.402
360 HB3 PRO 49 1HB PRO 49 4.483 -4.761 -1.127
361 HG2 PRO 49 2HG PRO 49 7.187 -3.739 -0.418
362 HG3 PRO 49 1HG PRO 49 6.206 -4.985 0.355
363 HD2 PRO 49 2HD PRO 49 8.377 -5.483 -1.354
364 HD3 PRO 49 1HD PRO 49 7.134 -6.664 -0.900
365 H TYR 50 H TYR 50 4.711 -2.304 -3.040
366 HA TYR 50 HA TYR 50 6.997 -1.242 -4.628
367 HB2 TYR 50 2HB TYR 50 4.561 -1.716 -5.734
368 HB3 TYR 50 1HB TYR 50 4.325 -0.070 -5.147
369 HD1 TYR 50 1HD TYR 50 7.040 1.060 -5.379
370 HD2 TYR 50 2HD TYR 50 4.863 -1.493 -8.063
371 HE1 TYR 50 1HE TYR 50 8.363 1.934 -7.286
372 HE2 TYR 50 2HE TYR 50 6.187 -0.619 -9.970
373 HH TYR 50 HH TYR 50 7.545 1.814 -10.298
374 H CYS 51 H CYS 51 7.749 -0.385 -2.538
375 HA CYS 51 HA CYS 51 6.091 1.557 -1.083
376 HB2 CYS 51 2HB CYS 51 8.498 0.211 -0.560
377 HB3 CYS 51 1HB CYS 51 8.931 1.914 -0.744
378 H CYS 52 H CYS 52 5.675 3.473 -2.037
379 HA CYS 52 HA CYS 52 7.631 4.602 -3.979
380 HB2 CYS 52 2HB CYS 52 4.702 4.843 -3.598
381 HB3 CYS 52 1HB CYS 52 5.543 6.312 -4.064
382 H GLU 53 H GLU 53 7.680 7.085 -3.844
383 HA GLU 53 HA GLU 53 7.695 7.911 -0.981
384 HB2 GLU 53 2HB GLU 53 9.635 8.997 -3.012
385 HB3 GLU 53 1HB GLU 53 9.700 9.102 -1.249
386 HG2 GLU 53 2HG GLU 53 10.410 6.916 -0.993
387 HG3 GLU 53 1HG GLU 53 9.667 6.386 -2.501
388 H SER 54 H SER 54 6.711 8.578 -4.198
389 HA SER 54 HA SER 54 6.075 11.399 -3.635
390 HB2 SER 54 2HB SER 54 4.743 10.664 -5.969
391 HB3 SER 54 1HB SER 54 6.326 11.432 -5.887
392 HG SER 54 HG SER 54 6.045 9.290 -7.029
393 H ASP 55 H ASP 55 3.814 12.142 -3.610
394 HA ASP 55 HA ASP 55 2.144 10.344 -2.093
395 HB2 ASP 55 2HB ASP 55 0.732 12.585 -3.379
396 HB3 ASP 55 1HB ASP 55 0.837 12.131 -1.684
397 H LYS 56 H LYS 56 0.072 9.535 -2.724
398 HA LYS 56 HA LYS 56 -1.165 8.153 -4.163
399 HB2 LYS 56 2HB LYS 56 -0.841 10.759 -5.633
400 HB3 LYS 56 1HB LYS 56 -1.754 9.431 -6.349
401 HG2 LYS 56 2HG LYS 56 -3.122 9.325 -4.243
402 HG3 LYS 56 1HG LYS 56 -2.295 10.783 -3.692
403 HD2 LYS 56 2HD LYS 56 -3.685 10.683 -6.369
404 HD3 LYS 56 1HD LYS 56 -4.562 11.091 -4.894
405 HE2 LYS 56 2HE LYS 56 -2.355 12.689 -4.655
406 HE3 LYS 56 1HE LYS 56 -2.581 12.677 -6.404
407 HZ1 LYS 56 3HZ LYS 56 -4.465 13.842 -6.248
408 HZ2 LYS 56 1HZ LYS 56 -3.916 14.270 -4.702
409 HZ3 LYS 56 2HZ LYS 56 -5.015 12.987 -4.887
410 H CYS 57 H CYS 57 1.796 7.830 -4.325
411 HA CYS 57 HA CYS 57 2.314 7.407 -7.190
412 HB2 CYS 57 2HB CYS 57 4.133 8.174 -5.750
413 HB3 CYS 57 1HB CYS 57 3.957 6.737 -4.749
414 H ASN 58 H ASN 58 0.990 5.493 -4.611
415 HA ASN 58 HA ASN 58 1.779 3.006 -5.957
416 HB2 ASN 58 2HB ASN 58 0.385 2.011 -4.004
417 HB3 ASN 58 1HB ASN 58 1.961 2.705 -3.646
418 HD21 ASN 58 1HD2 ASN 58 0.503 2.702 -1.429
419 HD22 ASN 58 2HD2 ASN 58 -0.283 4.182 -1.121
420 H LEU 59 H LEU 59 0.000 4.812 -7.346
421 HA LEU 59 HA LEU 59 -2.649 3.505 -7.162
422 HB2 LEU 59 2HB LEU 59 -2.588 5.949 -7.403
423 HB3 LEU 59 1HB LEU 59 -1.658 5.792 -8.891
424 HG LEU 59 HG LEU 59 -4.220 6.143 -9.096
425 HD11 LEU 59 1HD1 LEU 59 -3.775 3.756 -10.667
426 HD12 LEU 59 2HD1 LEU 59 -2.318 4.751 -10.642
427 HD13 LEU 59 3HD1 LEU 59 -3.845 5.436 -11.198
428 HD21 LEU 59 3HD2 LEU 59 -4.444 3.179 -8.860
429 HD22 LEU 59 1HD2 LEU 59 -5.654 4.425 -8.555
430 HD23 LEU 59 2HD2 LEU 59 -4.406 4.096 -7.354
Start of MODEL 20
1 H1 ARG 1 1HT ARG 1 4.070 12.696 3.275
2 H2 ARG 1 2HT ARG 1 2.864 11.511 3.114
3 H3 ARG 1 3HT ARG 1 2.786 12.639 4.381
4 HA ARG 1 HA ARG 1 2.064 14.323 3.073
5 HB2 ARG 1 2HB ARG 1 2.404 13.918 0.431
6 HB3 ARG 1 1HB ARG 1 3.629 14.676 1.436
7 HG2 ARG 1 2HG ARG 1 5.069 12.978 1.104
8 HG3 ARG 1 1HG ARG 1 3.858 11.785 1.556
9 HD2 ARG 1 2HD ARG 1 2.874 12.244 -0.813
10 HD3 ARG 1 1HD ARG 1 4.474 12.893 -1.166
11 HE ARG 1 HE ARG 1 5.246 10.689 -1.216
12 HH11 ARG 1 1HH2 ARG 1 2.400 10.985 0.711
13 HH12 ARG 1 2HH2 ARG 1 2.246 9.282 0.973
14 HH21 ARG 1 1HH1 ARG 1 5.024 8.469 -0.919
15 HH22 ARG 1 2HH1 ARG 1 3.726 7.871 0.060
16 H ILE 2 H ILE 2 1.393 12.498 0.217
17 HA ILE 2 HA ILE 2 -1.103 11.433 1.481
18 HB ILE 2 HB ILE 2 -0.989 12.957 -1.129
19 HG12 ILE 2 2HG1 ILE 2 -2.748 14.162 0.690
20 HG13 ILE 2 1HG1 ILE 2 -1.329 13.724 1.639
21 HG21 ILE 2 1HG2 ILE 2 -3.100 12.212 -1.530
22 HG22 ILE 2 2HG2 ILE 2 -3.581 12.413 0.155
23 HG23 ILE 2 3HG2 ILE 2 -2.734 10.952 -0.353
24 HD11 ILE 2 3HD1 ILE 2 -1.618 15.795 -0.406
25 HD12 ILE 2 1HD1 ILE 2 -0.234 14.742 -0.695
26 HD13 ILE 2 2HD1 ILE 2 -0.375 15.612 0.833
27 H CYS 3 H CYS 3 -1.457 9.351 0.943
28 HA CYS 3 HA CYS 3 -0.565 8.505 -1.734
29 HB2 CYS 3 2HB CYS 3 0.996 7.774 0.245
30 HB3 CYS 3 1HB CYS 3 -0.276 6.591 0.561
31 H TYR 4 H TYR 4 -1.573 6.041 -2.012
32 HA TYR 4 HA TYR 4 -4.436 6.516 -1.623
33 HB2 TYR 4 2HB TYR 4 -2.793 4.730 -3.353
34 HB3 TYR 4 1HB TYR 4 -4.447 4.239 -2.993
35 HD1 TYR 4 2HD TYR 4 -2.641 7.408 -3.824
36 HD2 TYR 4 1HD TYR 4 -6.046 4.903 -4.550
37 HE1 TYR 4 2HE TYR 4 -3.456 9.017 -5.519
38 HE2 TYR 4 1HE TYR 4 -6.869 6.513 -6.246
39 HH TYR 4 HH TYR 4 -6.243 9.407 -6.482
40 H ASN 5 H ASN 5 -5.838 5.110 -0.551
41 HA ASN 5 HA ASN 5 -4.550 3.039 1.186
42 HB2 ASN 5 2HB ASN 5 -5.491 4.809 2.555
43 HB3 ASN 5 1HB ASN 5 -7.005 4.764 1.655
44 HD21 ASN 5 1HD2 ASN 5 -5.389 1.733 2.406
45 HD22 ASN 5 2HD2 ASN 5 -6.486 1.228 3.598
46 H HIS 6 H HIS 6 -5.608 2.849 -1.616
47 HA HIS 6 HA HIS 6 -8.139 1.445 -1.455
48 HB2 HIS 6 2HB HIS 6 -7.947 2.285 -3.558
49 HB3 HIS 6 1HB HIS 6 -6.195 2.160 -3.577
50 HD1 HIS 6 1HD HIS 6 -5.832 0.813 -5.689
51 HD2 HIS 6 2HD HIS 6 -8.689 -0.916 -3.193
52 HE1 HIS 6 1HE HIS 6 -6.388 -1.446 -6.692
53 H LEU 7 H LEU 7 -8.526 -0.674 -1.285
54 HA LEU 7 HA LEU 7 -6.186 -2.482 -0.848
55 HB2 LEU 7 2HB LEU 7 -9.046 -2.579 0.135
56 HB3 LEU 7 1HB LEU 7 -7.940 -3.945 0.289
57 HG LEU 7 HG LEU 7 -6.538 -1.638 1.177
58 HD11 LEU 7 1HD1 LEU 7 -8.725 -0.549 1.477
59 HD12 LEU 7 2HD1 LEU 7 -8.001 -0.915 3.043
60 HD13 LEU 7 3HD1 LEU 7 -9.295 -1.932 2.411
61 HD21 LEU 7 3HD2 LEU 7 -7.508 -3.251 3.351
62 HD22 LEU 7 1HD2 LEU 7 -5.895 -3.226 2.639
63 HD23 LEU 7 2HD2 LEU 7 -7.131 -4.301 1.986
64 H GLY 8 H GLY 8 -5.807 -4.029 -2.337
65 HA2 GLY 8 2HA GLY 8 -6.284 -4.689 -4.708
66 HA3 GLY 8 1HA GLY 8 -6.770 -5.967 -3.606
67 H THR 9 H THR 9 -8.998 -6.368 -3.293
68 HA THR 9 HA THR 9 -10.718 -5.338 -5.461
69 HB THR 9 HB THR 9 -11.980 -7.146 -3.541
70 HG1 THR 9 1HG THR 9 -10.081 -8.095 -3.201
71 HG21 THR 9 3HG2 THR 9 -11.321 -7.919 -6.339
72 HG22 THR 9 1HG2 THR 9 -12.355 -6.507 -6.121
73 HG23 THR 9 2HG2 THR 9 -12.842 -8.067 -5.459
74 H LYS 10 H LYS 10 -10.410 -5.074 -1.970
75 HA LYS 10 HA LYS 10 -12.935 -4.142 -1.223
76 HB2 LYS 10 2HB LYS 10 -10.244 -4.000 -0.196
77 HB3 LYS 10 1HB LYS 10 -11.057 -2.460 0.073
78 HG2 LYS 10 2HG LYS 10 -12.932 -3.599 1.158
79 HG3 LYS 10 1HG LYS 10 -12.218 -5.169 0.795
80 HD2 LYS 10 2HD LYS 10 -10.143 -4.202 2.099
81 HD3 LYS 10 1HD LYS 10 -11.343 -3.111 2.795
82 HE2 LYS 10 2HE LYS 10 -11.246 -6.125 2.947
83 HE3 LYS 10 1HE LYS 10 -11.312 -4.964 4.272
84 HZ1 LYS 10 3HZ LYS 10 -13.463 -5.703 2.380
85 HZ2 LYS 10 1HZ LYS 10 -13.539 -4.295 3.321
86 HZ3 LYS 10 2HZ LYS 10 -13.467 -5.815 4.075
87 HA PRO 11 HA PRO 11 -13.524 -0.204 -3.041
88 HB2 PRO 11 2HB PRO 11 -14.057 1.511 -0.950
89 HB3 PRO 11 1HB PRO 11 -15.206 0.310 -1.566
90 HG2 PRO 11 2HG PRO 11 -13.560 0.235 0.924
91 HG3 PRO 11 1HG PRO 11 -15.130 -0.518 0.593
92 HD2 PRO 11 2HD PRO 11 -12.665 -1.854 0.596
93 HD3 PRO 11 1HD PRO 11 -14.157 -2.469 -0.141
94 HA PRO 12 HA PRO 12 -9.435 1.557 -2.783
95 HB2 PRO 12 2HB PRO 12 -9.616 2.978 -5.129
96 HB3 PRO 12 1HB PRO 12 -9.272 1.241 -5.054
97 HG2 PRO 12 2HG PRO 12 -11.800 2.622 -5.829
98 HG3 PRO 12 1HG PRO 12 -11.193 1.031 -6.320
99 HD2 PRO 12 2HD PRO 12 -13.189 1.512 -4.374
100 HD3 PRO 12 1HD PRO 12 -12.331 -0.023 -4.631
101 H THR 13 H THR 13 -8.974 3.270 -1.490
102 HA THR 13 HA THR 13 -10.249 5.895 -2.056
103 HB THR 13 HB THR 13 -11.615 5.513 -0.252
104 HG1 THR 13 1HG THR 13 -10.264 6.001 1.752
105 HG21 THR 13 3HG2 THR 13 -10.892 3.152 -0.020
106 HG22 THR 13 1HG2 THR 13 -11.122 3.920 1.551
107 HG23 THR 13 2HG2 THR 13 -9.495 3.687 0.913
108 H THR 14 H THR 14 -8.883 7.679 -1.377
109 HA THR 14 HA THR 14 -6.081 6.871 -1.181
110 HB THR 14 HB THR 14 -5.604 9.316 -1.320
111 HG1 THR 14 1HG THR 14 -7.218 10.717 -1.326
112 HG21 THR 14 3HG2 THR 14 -7.562 8.428 -3.440
113 HG22 THR 14 1HG2 THR 14 -5.922 7.792 -3.319
114 HG23 THR 14 2HG2 THR 14 -6.180 9.509 -3.627
115 H GLU 15 H GLU 15 -4.770 8.489 0.355
116 HA GLU 15 HA GLU 15 -6.126 8.886 2.941
117 HB2 GLU 15 2HB GLU 15 -4.751 6.472 2.410
118 HB3 GLU 15 1HB GLU 15 -3.703 7.417 3.466
119 HG2 GLU 15 2HG GLU 15 -5.348 5.959 4.700
120 HG3 GLU 15 1HG GLU 15 -5.464 7.673 5.100
121 H THR 16 H THR 16 -4.153 9.431 4.590
122 HA THR 16 HA THR 16 -2.058 10.999 3.215
123 HB THR 16 HB THR 16 -3.001 12.686 5.289
124 HG1 THR 16 1HG THR 16 -5.148 12.999 4.606
125 HG21 THR 16 3HG2 THR 16 -3.813 13.913 3.018
126 HG22 THR 16 1HG2 THR 16 -2.727 12.702 2.340
127 HG23 THR 16 2HG2 THR 16 -2.126 13.853 3.532
128 H CYS 17 H CYS 17 -0.167 10.704 4.337
129 HA CYS 17 HA CYS 17 -0.386 10.022 7.236
130 HB2 CYS 17 2HB CYS 17 0.826 8.076 7.028
131 HB3 CYS 17 1HB CYS 17 0.082 8.089 5.434
132 H GLN 18 H GLN 18 2.245 9.748 7.843
133 HA GLN 18 HA GLN 18 3.276 12.505 7.445
134 HB2 GLN 18 2HB GLN 18 3.226 11.623 9.747
135 HB3 GLN 18 1HB GLN 18 4.236 10.270 9.254
136 HG2 GLN 18 2HG GLN 18 5.568 12.116 10.285
137 HG3 GLN 18 1HG GLN 18 6.039 11.779 8.624
138 HE21 GLN 18 1HE2 GLN 18 5.124 13.270 6.914
139 HE22 GLN 18 2HE2 GLN 18 4.728 14.864 7.337
140 H GLU 19 H GLU 19 4.128 9.125 7.029
141 HA GLU 19 HA GLU 19 6.766 9.562 6.028
142 HB2 GLU 19 2HB GLU 19 5.159 7.285 4.983
143 HB3 GLU 19 1HB GLU 19 6.826 7.306 5.549
144 HG2 GLU 19 2HG GLU 19 5.986 6.341 7.427
145 HG3 GLU 19 1HG GLU 19 5.477 7.980 7.838
146 H ASP 20 H ASP 20 7.450 10.162 4.057
147 HA ASP 20 HA ASP 20 5.434 10.986 2.084
148 HB2 ASP 20 2HB ASP 20 8.110 11.118 1.020
149 HB3 ASP 20 1HB ASP 20 7.012 12.441 1.391
150 H SER 21 H SER 21 6.680 8.117 2.922
151 HA SER 21 HA SER 21 7.324 7.117 0.269
152 HB2 SER 21 2HB SER 21 6.833 4.980 2.085
153 HB3 SER 21 1HB SER 21 8.388 5.562 1.500
154 HG SER 21 HG SER 21 8.595 6.020 3.568
155 H CYS 22 H CYS 22 6.042 5.060 -0.441
156 HA CYS 22 HA CYS 22 3.127 5.314 0.206
157 HB2 CYS 22 2HB CYS 22 4.569 5.547 -2.394
158 HB3 CYS 22 1HB CYS 22 3.100 4.578 -2.407
159 H TYR 23 H TYR 23 2.398 3.178 0.769
160 HA TYR 23 HA TYR 23 4.249 1.038 -0.153
161 HB2 TYR 23 2HB TYR 23 3.826 -0.254 1.748
162 HB3 TYR 23 1HB TYR 23 4.017 1.373 2.356
163 HD1 TYR 23 1HD TYR 23 1.319 -0.893 1.082
164 HD2 TYR 23 2HD TYR 23 2.438 2.141 3.898
165 HE1 TYR 23 1HE TYR 23 -0.877 -1.113 2.174
166 HE2 TYR 23 2HE TYR 23 0.226 1.926 4.996
167 HH TYR 23 HH TYR 23 -1.561 -0.079 5.155
168 H LYS 24 H LYS 24 3.621 -0.581 -1.255
169 HA LYS 24 HA LYS 24 0.728 -1.168 -1.610
170 HB2 LYS 24 2HB LYS 24 2.384 0.085 -3.585
171 HB3 LYS 24 1HB LYS 24 2.028 -1.561 -4.110
172 HG2 LYS 24 2HG LYS 24 -0.401 -0.977 -3.319
173 HG3 LYS 24 1HG LYS 24 0.136 0.685 -3.573
174 HD2 LYS 24 2HD LYS 24 0.454 -1.494 -5.646
175 HD3 LYS 24 1HD LYS 24 -0.925 -0.397 -5.605
176 HE2 LYS 24 2HE LYS 24 0.297 1.096 -6.765
177 HE3 LYS 24 1HE LYS 24 1.371 1.230 -5.374
178 HZ1 LYS 24 3HZ LYS 24 2.573 0.606 -7.378
179 HZ2 LYS 24 1HZ LYS 24 1.610 -0.779 -7.547
180 HZ3 LYS 24 2HZ LYS 24 2.652 -0.628 -6.214
181 H ASN 25 H ASN 25 0.862 -3.160 -0.616
182 HA ASN 25 HA ASN 25 2.958 -5.007 -1.690
183 HB2 ASN 25 2HB ASN 25 2.555 -6.144 0.652
184 HB3 ASN 25 1HB ASN 25 3.611 -4.747 0.518
185 HD21 ASN 25 1HD2 ASN 25 2.290 -2.545 0.705
186 HD22 ASN 25 2HD2 ASN 25 1.174 -2.513 1.979
187 H ILE 26 H ILE 26 2.319 -7.379 -1.267
188 HA ILE 26 HA ILE 26 -0.560 -7.729 -1.993
189 HB ILE 26 HB ILE 26 0.038 -9.483 -3.460
190 HG12 ILE 26 2HG1 ILE 26 1.654 -10.549 -1.816
191 HG13 ILE 26 1HG1 ILE 26 2.165 -10.604 -3.500
192 HG21 ILE 26 1HG2 ILE 26 2.425 -8.232 -4.327
193 HG22 ILE 26 2HG2 ILE 26 1.414 -6.964 -3.635
194 HG23 ILE 26 3HG2 ILE 26 0.791 -7.974 -4.940
195 HD11 ILE 26 3HD1 ILE 26 4.112 -9.727 -2.732
196 HD12 ILE 26 1HD1 ILE 26 3.381 -9.198 -1.219
197 HD13 ILE 26 2HD1 ILE 26 3.229 -8.204 -2.666
198 H TRP 27 H TRP 27 1.544 -8.149 0.492
199 HA TRP 27 HA TRP 27 0.725 -10.855 1.287
200 HB2 TRP 27 2HB TRP 27 2.226 -8.735 2.838
201 HB3 TRP 27 1HB TRP 27 2.119 -10.449 3.249
202 HD1 TRP 27 HD TRP 27 4.050 -8.031 1.157
203 HE1 TRP 27 1HE TRP 27 5.775 -9.291 -0.286
204 HE3 TRP 27 3HE TRP 27 2.474 -12.830 1.892
205 HZ2 TRP 27 2HZ TRP 27 6.406 -11.983 -1.026
206 HZ3 TRP 27 3HZ TRP 27 3.651 -14.721 0.810
207 HH2 TRP 27 HH TRP 27 5.615 -14.305 -0.647
208 H THR 28 H THR 28 -1.574 -10.596 1.470
209 HA THR 28 HA THR 28 -2.401 -9.554 4.070
210 HB THR 28 HB THR 28 -2.682 -7.961 1.657
211 HG1 THR 28 1HG THR 28 -2.001 -7.104 3.575
212 HG21 THR 28 3HG2 THR 28 -5.255 -8.348 3.212
213 HG22 THR 28 1HG2 THR 28 -4.950 -9.126 1.660
214 HG23 THR 28 2HG2 THR 28 -5.005 -7.367 1.767
215 H PHE 29 H PHE 29 -3.970 -10.898 4.829
216 HA PHE 29 HA PHE 29 -4.968 -13.031 3.121
217 HB2 PHE 29 2HB PHE 29 -4.425 -13.250 5.590
218 HB3 PHE 29 1HB PHE 29 -5.895 -12.333 5.918
219 HD1 PHE 29 2HD PHE 29 -8.114 -13.220 5.130
220 HD2 PHE 29 1HD PHE 29 -4.515 -15.557 4.979
221 HE1 PHE 29 2HE PHE 29 -9.466 -15.285 4.886
222 HE2 PHE 29 1HE PHE 29 -5.865 -17.623 4.733
223 HZ PHE 29 HZ PHE 29 -8.341 -17.487 4.687
224 H ASP 30 H ASP 30 -6.675 -10.510 5.030
225 HA ASP 30 HA ASP 30 -9.260 -10.895 4.137
226 HB2 ASP 30 2HB ASP 30 -7.842 -8.233 4.461
227 HB3 ASP 30 1HB ASP 30 -9.592 -8.434 4.365
228 H ASN 31 H ASN 31 -7.019 -8.620 2.504
229 HA ASN 31 HA ASN 31 -8.524 -9.182 -0.018
230 HB2 ASN 31 2HB ASN 31 -6.778 -6.765 0.392
231 HB3 ASN 31 1HB ASN 31 -8.149 -6.968 -0.699
232 HD21 ASN 31 1HD2 ASN 31 -7.372 -6.801 2.812
233 HD22 ASN 31 2HD2 ASN 31 -8.871 -6.145 3.265
234 H ILE 32 H ILE 32 -6.276 -7.688 -1.429
235 HA ILE 32 HA ILE 32 -4.178 -9.805 -1.241
236 HB ILE 32 HB ILE 32 -4.989 -8.597 -3.876
237 HG12 ILE 32 2HG1 ILE 32 -7.046 -9.540 -2.938
238 HG13 ILE 32 1HG1 ILE 32 -6.442 -10.602 -4.210
239 HG21 ILE 32 1HG2 ILE 32 -4.023 -10.701 -4.724
240 HG22 ILE 32 2HG2 ILE 32 -3.740 -11.241 -3.069
241 HG23 ILE 32 3HG2 ILE 32 -2.864 -9.849 -3.703
242 HD11 ILE 32 3HD1 ILE 32 -6.974 -11.275 -1.503
243 HD12 ILE 32 1HD1 ILE 32 -5.224 -11.343 -1.714
244 HD13 ILE 32 2HD1 ILE 32 -6.276 -12.306 -2.752
245 H ILE 33 H ILE 33 -4.647 -6.875 -3.242
246 HA ILE 33 HA ILE 33 -1.893 -6.045 -2.569
247 HB ILE 33 HB ILE 33 -3.568 -4.188 -4.133
248 HG12 ILE 33 2HG1 ILE 33 -4.573 -6.197 -4.967
249 HG13 ILE 33 1HG1 ILE 33 -3.409 -5.665 -6.178
250 HG21 ILE 33 1HG2 ILE 33 -1.147 -3.933 -3.907
251 HG22 ILE 33 2HG2 ILE 33 -1.566 -4.245 -5.591
252 HG23 ILE 33 3HG2 ILE 33 -0.895 -5.536 -4.595
253 HD11 ILE 33 3HD1 ILE 33 -2.163 -7.393 -4.197
254 HD12 ILE 33 1HD1 ILE 33 -2.200 -7.555 -5.953
255 HD13 ILE 33 2HD1 ILE 33 -3.525 -8.193 -4.980
256 H ARG 34 H ARG 34 -1.437 -3.991 -1.586
257 HA ARG 34 HA ARG 34 -3.769 -2.565 -0.458
258 HB2 ARG 34 2HB ARG 34 -2.985 -4.292 1.214
259 HB3 ARG 34 1HB ARG 34 -1.494 -3.353 1.343
260 HG2 ARG 34 2HG ARG 34 -2.667 -1.418 2.099
261 HG3 ARG 34 1HG ARG 34 -4.225 -2.105 1.662
262 HD2 ARG 34 2HD ARG 34 -4.006 -2.326 4.039
263 HD3 ARG 34 1HD ARG 34 -3.782 -3.932 3.346
264 HE ARG 34 HE ARG 34 -1.280 -2.465 3.718
265 HH11 ARG 34 1HH1 ARG 34 -2.670 -2.651 6.409
266 HH12 ARG 34 2HH1 ARG 34 -2.041 -4.146 7.017
267 HH21 ARG 34 1HH2 ARG 34 -0.883 -5.219 3.929
268 HH22 ARG 34 2HH2 ARG 34 -1.030 -5.601 5.611
269 H ARG 35 H ARG 35 -3.407 -0.698 -1.358
270 HA ARG 35 HA ARG 35 -0.731 0.518 -1.515
271 HB2 ARG 35 2HB ARG 35 -3.393 1.728 -2.275
272 HB3 ARG 35 1HB ARG 35 -1.802 2.243 -2.808
273 HG2 ARG 35 2HG ARG 35 -1.802 0.752 -4.484
274 HG3 ARG 35 1HG ARG 35 -2.201 -0.564 -3.380
275 HD2 ARG 35 2HD ARG 35 -4.577 0.020 -3.502
276 HD3 ARG 35 1HD ARG 35 -4.204 1.390 -4.550
277 HE ARG 35 HE ARG 35 -4.520 -1.301 -5.443
278 HH11 ARG 35 1HH2 ARG 35 -3.828 1.678 -6.607
279 HH12 ARG 35 2HH2 ARG 35 -2.698 1.180 -7.823
280 HH21 ARG 35 1HH1 ARG 35 -2.452 -2.071 -6.638
281 HH22 ARG 35 2HH1 ARG 35 -1.919 -0.942 -7.839
282 H GLY 36 H GLY 36 0.014 1.908 0.034
283 HA2 GLY 36 2HA GLY 36 -1.908 3.444 1.672
284 HA3 GLY 36 1HA GLY 36 -0.851 2.339 2.525
285 H CYS 37 H CYS 37 0.258 3.952 3.611
286 HA CYS 37 HA CYS 37 2.018 5.682 1.923
287 HB2 CYS 37 2HB CYS 37 0.099 6.833 3.156
288 HB3 CYS 37 1HB CYS 37 0.924 6.398 4.651
289 H GLY 38 H GLY 38 4.182 5.272 2.307
290 HA2 GLY 38 2HA GLY 38 6.045 5.100 3.896
291 HA3 GLY 38 1HA GLY 38 4.964 4.220 4.979
292 H CYS 39 H CYS 39 6.528 2.460 4.956
293 HA CYS 39 HA CYS 39 6.471 0.905 2.412
294 HB2 CYS 39 2HB CYS 39 8.508 0.791 4.662
295 HB3 CYS 39 1HB CYS 39 8.526 -0.218 3.216
296 H PHE 40 H PHE 40 6.617 -1.493 2.859
297 HA PHE 40 HA PHE 40 4.345 -2.278 4.438
298 HB2 PHE 40 2HB PHE 40 5.788 -4.627 4.052
299 HB3 PHE 40 1HB PHE 40 4.557 -3.988 2.963
300 HD1 PHE 40 2HD PHE 40 5.172 -2.691 0.981
301 HD2 PHE 40 1HD PHE 40 8.146 -4.404 3.557
302 HE1 PHE 40 2HE PHE 40 6.897 -2.290 -0.754
303 HE2 PHE 40 1HE PHE 40 9.879 -3.999 1.829
304 HZ PHE 40 HZ PHE 40 9.259 -2.939 -0.332
305 H THR 41 H THR 41 4.891 -4.392 5.928
306 HA THR 41 HA THR 41 6.433 -3.212 8.131
307 HB THR 41 HB THR 41 4.252 -5.168 7.904
308 HG1 THR 41 1HG THR 41 3.871 -3.222 8.824
309 HG21 THR 41 3HG2 THR 41 6.369 -5.490 10.057
310 HG22 THR 41 1HG2 THR 41 5.969 -6.678 8.815
311 HG23 THR 41 2HG2 THR 41 4.788 -6.273 10.061
312 HA PRO 42 HA PRO 42 8.923 -7.189 7.844
313 HB2 PRO 42 2HB PRO 42 8.144 -9.193 6.139
314 HB3 PRO 42 1HB PRO 42 7.531 -9.021 7.793
315 HG2 PRO 42 2HG PRO 42 6.139 -8.499 5.230
316 HG3 PRO 42 1HG PRO 42 5.454 -8.806 6.833
317 HD2 PRO 42 2HD PRO 42 5.759 -6.277 5.517
318 HD3 PRO 42 1HD PRO 42 5.139 -6.563 7.154
319 H ARG 43 H ARG 43 9.444 -5.019 6.156
320 HA ARG 43 HA ARG 43 9.924 -5.578 3.430
321 HB2 ARG 43 2HB ARG 43 11.839 -3.941 3.642
322 HB3 ARG 43 1HB ARG 43 10.302 -3.349 4.248
323 HG2 ARG 43 2HG ARG 43 11.097 -4.285 6.544
324 HG3 ARG 43 1HG ARG 43 12.698 -4.279 5.805
325 HD2 ARG 43 2HD ARG 43 11.070 -1.808 5.492
326 HD3 ARG 43 1HD ARG 43 11.714 -2.139 7.100
327 HE ARG 43 HE ARG 43 13.972 -2.406 5.785
328 HH11 ARG 43 1HH1 ARG 43 11.718 -1.045 3.787
329 HH12 ARG 43 2HH1 ARG 43 12.542 0.460 3.549
330 HH21 ARG 43 1HH2 ARG 43 14.899 -0.142 6.024
331 HH22 ARG 43 2HH2 ARG 43 14.345 0.972 4.818
332 H GLY 44 H GLY 44 11.578 -6.677 2.355
333 HA2 GLY 44 2HA GLY 44 14.067 -7.388 3.387
334 HA3 GLY 44 1HA GLY 44 12.971 -8.684 3.854
335 H ASP 45 H ASP 45 14.367 -10.026 2.410
336 HA ASP 45 HA ASP 45 14.054 -9.498 -0.485
337 HB2 ASP 45 2HB ASP 45 15.566 -11.689 0.969
338 HB3 ASP 45 1HB ASP 45 15.630 -11.368 -0.765
339 H MET 46 H MET 46 13.075 -11.903 1.951
340 HA MET 46 HA MET 46 12.007 -13.864 0.266
341 HB2 MET 46 2HB MET 46 11.876 -13.287 3.008
342 HB3 MET 46 1HB MET 46 10.197 -13.383 2.473
343 HG2 MET 46 2HG MET 46 12.167 -15.476 1.589
344 HG3 MET 46 1HG MET 46 11.433 -15.581 3.189
345 HE1 MET 46 3HE MET 46 9.907 -16.382 -0.886
346 HE2 MET 46 1HE MET 46 10.732 -17.608 0.087
347 HE3 MET 46 2HE MET 46 11.508 -16.056 -0.225
348 HA PRO 47 HA PRO 47 7.963 -11.392 -0.112
349 HB2 PRO 47 2HB PRO 47 7.829 -8.943 1.126
350 HB3 PRO 47 1HB PRO 47 7.401 -10.464 1.929
351 HG2 PRO 47 2HG PRO 47 9.802 -8.756 2.321
352 HG3 PRO 47 1HG PRO 47 9.071 -9.934 3.424
353 HD2 PRO 47 2HD PRO 47 11.381 -10.321 1.788
354 HD3 PRO 47 1HD PRO 47 10.549 -11.549 2.760
355 H GLY 48 H GLY 48 7.270 -9.378 -1.433
356 HA2 GLY 48 2HA GLY 48 9.469 -7.720 -2.410
357 HA3 GLY 48 1HA GLY 48 8.787 -8.819 -3.601
358 HA PRO 49 HA PRO 49 5.134 -5.958 -2.638
359 HB2 PRO 49 2HB PRO 49 5.255 -4.359 -0.414
360 HB3 PRO 49 1HB PRO 49 4.616 -6.009 -0.404
361 HG2 PRO 49 2HG PRO 49 7.210 -5.013 0.654
362 HG3 PRO 49 1HG PRO 49 6.274 -6.426 1.143
363 HD2 PRO 49 2HD PRO 49 8.577 -6.444 -0.504
364 HD3 PRO 49 1HD PRO 49 7.442 -7.784 -0.249
365 H TYR 50 H TYR 50 4.871 -3.222 -2.189
366 HA TYR 50 HA TYR 50 7.328 -2.092 -3.465
367 HB2 TYR 50 2HB TYR 50 4.710 -2.401 -4.594
368 HB3 TYR 50 1HB TYR 50 5.097 -0.685 -4.474
369 HD1 TYR 50 2HD TYR 50 7.352 0.117 -5.381
370 HD2 TYR 50 1HD TYR 50 5.712 -3.757 -6.253
371 HE1 TYR 50 2HE TYR 50 8.869 -0.086 -7.333
372 HE2 TYR 50 1HE TYR 50 7.228 -3.958 -8.205
373 HH TYR 50 HH TYR 50 8.837 -1.393 -9.555
374 H CYS 51 H CYS 51 8.123 -0.421 -2.367
375 HA CYS 51 HA CYS 51 6.270 1.412 -0.841
376 HB2 CYS 51 2HB CYS 51 8.176 0.159 0.447
377 HB3 CYS 51 1HB CYS 51 9.250 1.247 -0.423
378 H CYS 52 H CYS 52 6.425 3.566 -1.489
379 HA CYS 52 HA CYS 52 8.482 4.239 -3.557
380 HB2 CYS 52 2HB CYS 52 6.466 3.782 -4.800
381 HB3 CYS 52 1HB CYS 52 5.503 4.742 -3.691
382 H GLU 53 H GLU 53 8.672 6.652 -3.801
383 HA GLU 53 HA GLU 53 7.984 7.985 -1.216
384 HB2 GLU 53 2HB GLU 53 10.360 8.769 -2.899
385 HB3 GLU 53 1HB GLU 53 10.048 9.108 -1.196
386 HG2 GLU 53 2HG GLU 53 10.962 7.153 -0.536
387 HG3 GLU 53 1HG GLU 53 10.070 6.240 -1.751
388 H SER 54 H SER 54 6.011 8.314 -2.803
389 HA SER 54 HA SER 54 6.180 11.098 -3.697
390 HB2 SER 54 2HB SER 54 5.062 9.339 -5.804
391 HB3 SER 54 1HB SER 54 6.024 10.807 -5.960
392 HG SER 54 HG SER 54 7.642 9.520 -6.292
393 H ASP 55 H ASP 55 4.032 12.007 -3.971
394 HA ASP 55 HA ASP 55 2.040 10.714 -2.325
395 HB2 ASP 55 2HB ASP 55 1.344 12.908 -4.256
396 HB3 ASP 55 1HB ASP 55 0.749 12.627 -2.621
397 H LYS 56 H LYS 56 -0.051 9.946 -3.042
398 HA LYS 56 HA LYS 56 -1.224 8.400 -4.395
399 HB2 LYS 56 2HB LYS 56 -0.590 10.546 -6.442
400 HB3 LYS 56 1HB LYS 56 -1.924 9.393 -6.518
401 HG2 LYS 56 2HG LYS 56 -2.811 10.328 -4.387
402 HG3 LYS 56 1HG LYS 56 -1.521 11.530 -4.404
403 HD2 LYS 56 2HD LYS 56 -2.848 12.835 -5.672
404 HD3 LYS 56 1HD LYS 56 -2.673 11.650 -6.967
405 HE2 LYS 56 2HE LYS 56 -5.049 12.028 -6.512
406 HE3 LYS 56 1HE LYS 56 -4.607 10.388 -6.038
407 HZ1 LYS 56 3HZ LYS 56 -5.941 11.472 -4.342
408 HZ2 LYS 56 1HZ LYS 56 -4.803 12.722 -4.213
409 HZ3 LYS 56 2HZ LYS 56 -4.380 11.140 -3.758
410 H CYS 57 H CYS 57 1.703 7.951 -4.258
411 HA CYS 57 HA CYS 57 2.645 7.317 -6.916
412 HB2 CYS 57 2HB CYS 57 4.025 7.702 -4.753
413 HB3 CYS 57 1HB CYS 57 3.688 6.003 -4.415
414 H ASN 58 H ASN 58 0.791 5.472 -4.514
415 HA ASN 58 HA ASN 58 1.266 3.006 -6.002
416 HB2 ASN 58 2HB ASN 58 -0.611 2.192 -4.340
417 HB3 ASN 58 1HB ASN 58 1.039 2.445 -3.779
418 HD21 ASN 58 1HD2 ASN 58 -0.033 2.767 -1.602
419 HD22 ASN 58 2HD2 ASN 58 -0.711 4.275 -1.233
420 H LEU 59 H LEU 59 -0.257 5.439 -7.121
421 HA LEU 59 HA LEU 59 -2.623 3.851 -8.031
422 HB2 LEU 59 2HB LEU 59 -3.079 5.921 -6.536
423 HB3 LEU 59 1HB LEU 59 -2.607 6.866 -7.949
424 HG LEU 59 HG LEU 59 -5.065 6.482 -7.866
425 HD11 LEU 59 1HD1 LEU 59 -5.242 6.146 -10.147
426 HD12 LEU 59 2HD1 LEU 59 -4.103 4.800 -10.144
427 HD13 LEU 59 3HD1 LEU 59 -3.510 6.458 -10.031
428 HD21 LEU 59 3HD2 LEU 59 -4.415 4.004 -6.922
429 HD22 LEU 59 1HD2 LEU 59 -4.760 3.632 -8.611
430 HD23 LEU 59 2HD2 LEU 59 -5.988 4.406 -7.610