Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
570898 | 2mfa RC | 19542 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 1HT LEU 1 3.117 15.039 2.246
2 H2 LEU 1 2HT LEU 1 3.971 14.406 0.923
3 H3 LEU 1 3HT LEU 1 4.796 15.122 2.170
4 HA LEU 1 HA LEU 1 4.228 13.401 3.656
5 HB2 LEU 1 2HB LEU 1 2.528 12.468 1.389
6 HB3 LEU 1 1HB LEU 1 3.161 11.327 2.551
7 HG LEU 1 HG LEU 1 1.365 13.657 3.214
8 HD11 LEU 1 2HD1 LEU 1 0.852 10.703 3.079
9 HD12 LEU 1 3HD1 LEU 1 0.248 11.905 1.938
10 HD13 LEU 1 1HD1 LEU 1 -0.294 11.933 3.617
11 HD21 LEU 1 1HD2 LEU 1 2.436 11.388 4.867
12 HD22 LEU 1 2HD2 LEU 1 1.237 12.560 5.404
13 HD23 LEU 1 3HD2 LEU 1 2.882 13.078 5.047
14 H LYS 2 H LYS 2 5.806 12.120 3.996
15 HA LYS 2 HA LYS 2 7.154 11.032 1.683
16 HB2 LYS 2 2HB LYS 2 9.148 10.783 3.175
17 HB3 LYS 2 1HB LYS 2 8.657 12.452 2.961
18 HG2 LYS 2 2HG LYS 2 7.494 12.323 5.169
19 HG3 LYS 2 1HG LYS 2 8.186 10.717 5.379
20 HD2 LYS 2 2HD LYS 2 9.732 13.279 5.009
21 HD3 LYS 2 1HD LYS 2 9.500 12.441 6.536
22 HE2 LYS 2 2HE LYS 2 10.699 10.488 5.613
23 HE3 LYS 2 1HE LYS 2 10.955 11.378 4.115
24 HZ1 LYS 2 3HZ LYS 2 12.166 13.050 5.412
25 HZ2 LYS 2 1HZ LYS 2 12.887 11.527 5.467
26 HZ3 LYS 2 2HZ LYS 2 12.024 12.076 6.792
27 H CYS 3 H CYS 3 6.807 8.940 1.350
28 HA CYS 3 HA CYS 3 6.194 7.243 3.616
29 HB2 CYS 3 2HB CYS 3 4.351 7.556 1.233
30 HB3 CYS 3 1HB CYS 3 4.239 6.246 2.413
31 H PHE 4 H PHE 4 6.018 4.892 2.900
32 HA PHE 4 HA PHE 4 8.525 4.387 1.562
33 HB2 PHE 4 2HB PHE 4 6.612 2.451 2.885
34 HB3 PHE 4 1HB PHE 4 8.245 2.085 2.345
35 HD1 PHE 4 2HD PHE 4 10.161 2.932 3.571
36 HD2 PHE 4 1HD PHE 4 6.204 3.658 4.910
37 HE1 PHE 4 2HE PHE 4 11.035 3.613 5.762
38 HE2 PHE 4 1HE PHE 4 7.051 4.326 7.109
39 HZ PHE 4 HZ PHE 4 9.477 4.316 7.547
40 H GLN 5 H GLN 5 7.671 5.131 -0.456
41 HA GLN 5 HA GLN 5 5.745 3.530 -1.879
42 HB2 GLN 5 2HB GLN 5 5.981 5.917 -2.340
43 HB3 GLN 5 1HB GLN 5 7.647 5.662 -2.831
44 HG2 GLN 5 2HG GLN 5 6.875 4.285 -4.699
45 HG3 GLN 5 1HG GLN 5 5.208 4.588 -4.231
46 HE21 GLN 5 1HE2 GLN 5 7.755 6.990 -4.078
47 HE22 GLN 5 2HE2 GLN 5 7.152 7.985 -5.338
48 H HIS 6 H HIS 6 9.230 3.871 -1.823
49 HA HIS 6 HA HIS 6 9.465 1.654 -3.741
50 HB2 HIS 6 2HB HIS 6 11.506 3.760 -2.949
51 HB3 HIS 6 1HB HIS 6 11.818 2.440 -4.068
52 HD1 HIS 6 1HD HIS 6 11.617 5.789 -4.539
53 HD2 HIS 6 2HD HIS 6 9.185 2.715 -5.939
54 HE1 HIS 6 1HE HIS 6 10.451 6.701 -6.545
55 H GLY 7 H GLY 7 8.938 1.621 -0.817
56 HA2 GLY 7 2HA GLY 7 9.451 -0.047 0.765
57 HA3 GLY 7 1HA GLY 7 10.990 -0.328 -0.055
58 H LYS 8 H LYS 8 11.844 2.218 -0.262
59 HA LYS 8 HA LYS 8 12.524 2.949 2.459
60 HB2 LYS 8 2HB LYS 8 14.126 4.513 1.373
61 HB3 LYS 8 1HB LYS 8 14.347 2.871 0.793
62 HG2 LYS 8 2HG LYS 8 13.133 3.416 -1.249
63 HG3 LYS 8 1HG LYS 8 12.845 5.044 -0.647
64 HD2 LYS 8 2HD LYS 8 15.283 5.445 -0.635
65 HD3 LYS 8 1HD LYS 8 15.533 3.825 -1.295
66 HE2 LYS 8 2HE LYS 8 14.168 4.435 -3.256
67 HE3 LYS 8 1HE LYS 8 13.966 6.046 -2.593
68 HZ1 LYS 8 3HZ LYS 8 16.584 4.863 -3.335
69 HZ2 LYS 8 1HZ LYS 8 16.310 6.434 -2.805
70 HZ3 LYS 8 2HZ LYS 8 15.706 5.934 -4.295
71 H VAL 9 H VAL 9 12.083 5.076 3.237
72 HA VAL 9 HA VAL 9 9.595 6.066 2.261
73 HB VAL 9 HB VAL 9 9.794 6.050 4.644
74 HG11 VAL 9 1HG1 VAL 9 12.189 6.170 4.900
75 HG12 VAL 9 2HG1 VAL 9 11.346 7.364 5.890
76 HG13 VAL 9 3HG1 VAL 9 12.159 7.873 4.405
77 HG21 VAL 9 3HG2 VAL 9 9.370 8.412 5.226
78 HG22 VAL 9 1HG2 VAL 9 8.482 7.856 3.802
79 HG23 VAL 9 2HG2 VAL 9 9.923 8.849 3.614
80 H VAL 10 H VAL 10 9.313 7.350 0.710
81 HA VAL 10 HA VAL 10 11.419 9.232 -0.058
82 HB VAL 10 HB VAL 10 10.761 8.934 -2.399
83 HG11 VAL 10 1HG1 VAL 10 11.595 6.669 -2.751
84 HG12 VAL 10 2HG1 VAL 10 11.392 6.354 -1.028
85 HG13 VAL 10 3HG1 VAL 10 12.562 7.565 -1.571
86 HG21 VAL 10 3HG2 VAL 10 8.432 8.313 -2.109
87 HG22 VAL 10 1HG2 VAL 10 8.918 6.784 -1.376
88 HG23 VAL 10 2HG2 VAL 10 9.284 7.105 -3.073
89 H THR 11 H THR 11 10.682 11.148 -1.056
90 HA THR 11 HA THR 11 8.293 12.132 0.179
91 HB THR 11 HB THR 11 10.059 13.545 -1.816
92 HG1 THR 11 1HG THR 11 10.937 12.490 0.329
93 HG21 THR 11 3HG2 THR 11 9.280 15.544 -0.631
94 HG22 THR 11 1HG2 THR 11 8.352 14.533 0.479
95 HG23 THR 11 2HG2 THR 11 7.911 14.608 -1.224
96 H CYS 12 H CYS 12 6.363 11.813 -0.729
97 HA CYS 12 HA CYS 12 5.999 11.274 -3.548
98 HB2 CYS 12 2HB CYS 12 4.051 11.563 -1.245
99 HB3 CYS 12 1HB CYS 12 3.653 10.965 -2.861
100 H HIS 13 H HIS 13 4.490 12.595 -4.868
101 HA HIS 13 HA HIS 13 5.446 15.262 -4.842
102 HB2 HIS 13 2HB HIS 13 4.609 13.843 -6.855
103 HB3 HIS 13 1HB HIS 13 3.007 14.438 -6.420
104 HD1 HIS 13 1HD HIS 13 2.383 16.714 -7.577
105 HD2 HIS 13 2HD HIS 13 6.492 15.970 -7.380
106 HE1 HIS 13 1HE HIS 13 3.483 18.582 -8.765
107 H ARG 14 H ARG 14 4.052 17.207 -4.877
108 HA ARG 14 HA ARG 14 2.703 17.481 -2.421
109 HB2 ARG 14 2HB ARG 14 2.123 19.764 -3.179
110 HB3 ARG 14 1HB ARG 14 3.824 19.384 -3.347
111 HG2 ARG 14 2HG ARG 14 3.468 18.968 -5.747
112 HG3 ARG 14 1HG ARG 14 1.775 19.406 -5.554
113 HD2 ARG 14 2HD ARG 14 4.157 21.188 -5.037
114 HD3 ARG 14 1HD ARG 14 3.069 21.281 -6.418
115 HE ARG 14 HE ARG 14 1.354 21.579 -4.437
116 HH11 ARG 14 1HH1 ARG 14 4.518 23.124 -4.880
117 HH12 ARG 14 2HH1 ARG 14 4.090 24.570 -4.100
118 HH21 ARG 14 1HH2 ARG 14 0.775 23.571 -3.363
119 HH22 ARG 14 2HH2 ARG 14 1.937 24.831 -3.228
120 H ASP 15 H ASP 15 1.511 16.314 -5.328
121 HA ASP 15 HA ASP 15 -1.255 17.074 -4.983
122 HB2 ASP 15 2HB ASP 15 0.034 14.928 -6.688
123 HB3 ASP 15 1HB ASP 15 -1.675 15.327 -6.721
124 H MET 16 H MET 16 0.863 14.787 -3.737
125 HA MET 16 HA MET 16 -1.119 12.781 -3.308
126 HB2 MET 16 2HB MET 16 1.817 12.910 -3.179
127 HB3 MET 16 1HB MET 16 1.079 11.553 -2.367
128 HG2 MET 16 2HG MET 16 -0.039 10.904 -4.280
129 HG3 MET 16 1HG MET 16 0.346 12.399 -5.136
130 HE1 MET 16 3HE MET 16 1.979 9.853 -7.304
131 HE2 MET 16 1HE MET 16 1.112 11.402 -7.170
132 HE3 MET 16 2HE MET 16 0.401 9.982 -6.472
133 H LYS 17 H LYS 17 -2.423 13.184 -1.800
134 HA LYS 17 HA LYS 17 -1.653 14.479 0.682
135 HB2 LYS 17 2HB LYS 17 -4.306 13.645 -0.446
136 HB3 LYS 17 1HB LYS 17 -4.076 14.494 1.077
137 HG2 LYS 17 2HG LYS 17 -3.280 16.426 -0.006
138 HG3 LYS 17 1HG LYS 17 -3.113 15.577 -1.546
139 HD2 LYS 17 2HD LYS 17 -5.078 17.016 -1.527
140 HD3 LYS 17 1HD LYS 17 -5.503 15.310 -1.675
141 HE2 LYS 17 2HE LYS 17 -6.055 15.243 0.711
142 HE3 LYS 17 1HE LYS 17 -5.627 16.947 0.860
143 HZ1 LYS 17 3HZ LYS 17 -7.403 17.466 -0.704
144 HZ2 LYS 17 1HZ LYS 17 -8.015 16.644 0.631
145 HZ3 LYS 17 2HZ LYS 17 -7.797 15.846 -0.836
146 H PHE 18 H PHE 18 -2.217 11.368 -0.596
147 HA PHE 18 HA PHE 18 -2.442 10.234 2.101
148 HB2 PHE 18 2HB PHE 18 -3.893 9.263 -0.367
149 HB3 PHE 18 1HB PHE 18 -3.965 8.544 1.231
150 HD1 PHE 18 1HD PHE 18 -5.286 9.593 2.996
151 HD2 PHE 18 2HD PHE 18 -5.123 11.254 -0.923
152 HE1 PHE 18 1HE PHE 18 -7.268 10.961 3.491
153 HE2 PHE 18 2HE PHE 18 -7.100 12.624 -0.434
154 HZ PHE 18 HZ PHE 18 -8.178 12.478 1.780
155 H CYS 19 H CYS 19 -1.396 8.286 2.314
156 HA CYS 19 HA CYS 19 0.174 7.377 0.046
157 HB2 CYS 19 2HB CYS 19 0.629 6.872 3.019
158 HB3 CYS 19 1HB CYS 19 1.696 6.398 1.704
159 H TYR 20 H TYR 20 -0.157 5.118 -0.455
160 HA TYR 20 HA TYR 20 -2.377 4.025 1.086
161 HB2 TYR 20 2HB TYR 20 -3.312 2.971 -0.896
162 HB3 TYR 20 1HB TYR 20 -3.211 4.708 -1.099
163 HD1 TYR 20 2HD TYR 20 -1.916 1.456 -2.215
164 HD2 TYR 20 1HD TYR 20 -1.772 5.657 -2.780
165 HE1 TYR 20 2HE TYR 20 -0.789 1.105 -4.361
166 HE2 TYR 20 1HE TYR 20 -0.663 5.355 -4.921
167 HH TYR 20 HH TYR 20 -0.524 2.397 -6.517
168 H HIS 21 H HIS 21 -2.536 1.955 1.428
169 HA HIS 21 HA HIS 21 -0.233 0.275 0.819
170 HB2 HIS 21 2HB HIS 21 -0.141 0.822 3.193
171 HB3 HIS 21 1HB HIS 21 -1.856 0.489 3.382
172 HD1 HIS 21 1HD HIS 21 -2.051 -1.594 4.777
173 HD2 HIS 21 2HD HIS 21 1.023 -1.806 2.003
174 HE1 HIS 21 1HE HIS 21 -1.092 -3.902 5.008
175 H ASN 22 H ASN 22 -1.098 -0.891 -0.816
176 HA ASN 22 HA ASN 22 -3.807 -1.912 -0.445
177 HB2 ASN 22 2HB ASN 22 -3.202 -0.642 -2.555
178 HB3 ASN 22 1HB ASN 22 -2.117 -1.960 -2.959
179 HD21 ASN 22 1HD2 ASN 22 -4.406 -0.969 -4.321
180 HD22 ASN 22 2HD2 ASN 22 -5.524 -2.281 -4.527
181 H THR 23 H THR 23 -4.065 -3.953 -0.082
182 HA THR 23 HA THR 23 -1.709 -5.535 0.428
183 HB THR 23 HB THR 23 -3.378 -7.188 1.362
184 HG1 THR 23 1HG THR 23 -5.204 -5.057 0.778
185 HG21 THR 23 3HG2 THR 23 -3.992 -5.768 3.283
186 HG22 THR 23 1HG2 THR 23 -3.596 -4.337 2.335
187 HG23 THR 23 2HG2 THR 23 -2.321 -5.470 2.780
188 H GLY 24 H GLY 24 -3.772 -5.043 -2.125
189 HA2 GLY 24 2HA GLY 24 -3.610 -5.908 -4.258
190 HA3 GLY 24 1HA GLY 24 -2.590 -7.208 -3.637
191 H MET 25 H MET 25 -3.619 -8.991 -4.269
192 HA MET 25 HA MET 25 -6.357 -9.329 -3.283
193 HB2 MET 25 2HB MET 25 -4.948 -10.778 -5.548
194 HB3 MET 25 1HB MET 25 -6.585 -11.084 -5.005
195 HG2 MET 25 2HG MET 25 -5.590 -8.550 -6.282
196 HG3 MET 25 1HG MET 25 -6.522 -9.812 -7.072
197 HE1 MET 25 3HE MET 25 -9.064 -10.378 -6.467
198 HE2 MET 25 1HE MET 25 -9.989 -9.529 -5.230
199 HE3 MET 25 2HE MET 25 -8.651 -10.573 -4.762
200 HA PRO 26 HA PRO 26 -4.340 -12.214 -0.621
201 HB2 PRO 26 2HB PRO 26 -6.280 -14.158 -0.358
202 HB3 PRO 26 1HB PRO 26 -6.277 -12.643 0.548
203 HG2 PRO 26 2HG PRO 26 -7.829 -13.392 -1.888
204 HG3 PRO 26 1HG PRO 26 -8.325 -12.408 -0.499
205 HD2 PRO 26 2HD PRO 26 -7.617 -11.339 -2.891
206 HD3 PRO 26 1HD PRO 26 -7.343 -10.505 -1.349
207 H PHE 27 H PHE 27 -2.732 -13.045 -1.731
208 HA PHE 27 HA PHE 27 -3.167 -15.584 -3.062
209 HB2 PHE 27 2HB PHE 27 -1.459 -13.308 -4.029
210 HB3 PHE 27 1HB PHE 27 -1.175 -14.964 -4.543
211 HD1 PHE 27 2HD PHE 27 -3.572 -16.104 -5.332
212 HD2 PHE 27 1HD PHE 27 -2.499 -11.998 -5.564
213 HE1 PHE 27 2HE PHE 27 -5.155 -15.802 -7.180
214 HE2 PHE 27 1HE PHE 27 -4.080 -11.691 -7.421
215 HZ PHE 27 HZ PHE 27 -5.408 -13.598 -8.234
216 H ARG 28 H ARG 28 -1.608 -17.062 -2.660
217 HA ARG 28 HA ARG 28 0.232 -16.350 -0.513
218 HB2 ARG 28 2HB ARG 28 -0.690 -19.043 -1.534
219 HB3 ARG 28 1HB ARG 28 0.482 -18.807 -0.248
220 HG2 ARG 28 2HG ARG 28 -1.233 -17.675 1.093
221 HG3 ARG 28 1HG ARG 28 -2.398 -17.953 -0.203
222 HD2 ARG 28 2HD ARG 28 -2.620 -19.616 1.566
223 HD3 ARG 28 1HD ARG 28 -2.114 -20.366 0.050
224 HE ARG 28 HE ARG 28 0.128 -19.693 1.640
225 HH11 ARG 28 1HH1 ARG 28 -2.452 -22.140 1.465
226 HH12 ARG 28 2HH1 ARG 28 -1.529 -23.311 2.281
227 HH21 ARG 28 1HH2 ARG 28 1.314 -21.272 2.682
228 HH22 ARG 28 2HH2 ARG 28 0.692 -22.838 2.967
229 H ASN 29 H ASN 29 2.425 -16.845 -0.717
230 HA ASN 29 HA ASN 29 4.453 -17.219 -1.659
231 HB2 ASN 29 2HB ASN 29 3.388 -19.356 -2.522
232 HB3 ASN 29 1HB ASN 29 3.002 -18.501 -4.003
233 HD21 ASN 29 1HD2 ASN 29 4.235 -19.835 -5.282
234 HD22 ASN 29 2HD2 ASN 29 5.956 -19.901 -5.227
235 H LEU 30 H LEU 30 2.475 -15.009 -2.410
236 HA LEU 30 HA LEU 30 4.024 -13.956 -4.664
237 HB2 LEU 30 2HB LEU 30 1.700 -14.416 -5.307
238 HB3 LEU 30 1HB LEU 30 1.137 -13.396 -3.998
239 HG LEU 30 HG LEU 30 2.320 -11.480 -5.087
240 HD11 LEU 30 1HD1 LEU 30 3.917 -12.687 -6.426
241 HD12 LEU 30 2HD1 LEU 30 2.902 -11.676 -7.450
242 HD13 LEU 30 3HD1 LEU 30 2.616 -13.414 -7.370
243 HD21 LEU 30 3HD2 LEU 30 -0.076 -11.769 -5.307
244 HD22 LEU 30 1HD2 LEU 30 0.159 -12.840 -6.690
245 HD23 LEU 30 2HD2 LEU 30 0.617 -11.136 -6.797
246 H LYS 31 H LYS 31 5.403 -12.602 -3.756
247 HA LYS 31 HA LYS 31 4.443 -10.817 -1.648
248 HB2 LYS 31 2HB LYS 31 6.498 -12.255 -1.250
249 HB3 LYS 31 1HB LYS 31 7.305 -11.325 -2.500
250 HG2 LYS 31 2HG LYS 31 8.011 -10.433 -0.424
251 HG3 LYS 31 1HG LYS 31 6.857 -9.277 -1.091
252 HD2 LYS 31 2HD LYS 31 5.094 -10.210 0.340
253 HD3 LYS 31 1HD LYS 31 6.238 -11.379 0.990
254 HE2 LYS 31 2HE LYS 31 5.987 -9.561 2.557
255 HE3 LYS 31 1HE LYS 31 7.603 -9.508 1.861
256 HZ1 LYS 31 3HZ LYS 31 6.655 -7.306 1.959
257 HZ2 LYS 31 1HZ LYS 31 5.299 -7.812 1.099
258 HZ3 LYS 31 2HZ LYS 31 6.801 -7.766 0.339
259 H LEU 32 H LEU 32 3.369 -9.373 -3.061
260 HA LEU 32 HA LEU 32 5.196 -7.682 -4.597
261 HB2 LEU 32 2HB LEU 32 2.327 -8.384 -5.180
262 HB3 LEU 32 1HB LEU 32 3.124 -7.003 -5.909
263 HG LEU 32 HG LEU 32 3.845 -9.909 -6.278
264 HD11 LEU 32 1HD1 LEU 32 2.628 -7.867 -8.131
265 HD12 LEU 32 2HD1 LEU 32 1.802 -9.253 -7.418
266 HD13 LEU 32 3HD1 LEU 32 3.110 -9.501 -8.576
267 HD21 LEU 32 3HD2 LEU 32 5.855 -8.548 -6.362
268 HD22 LEU 32 1HD2 LEU 32 5.063 -7.413 -7.458
269 HD23 LEU 32 2HD2 LEU 32 5.402 -9.057 -7.986
270 H ILE 33 H ILE 33 5.264 -5.653 -3.994
271 HA ILE 33 HA ILE 33 3.472 -4.869 -1.872
272 HB ILE 33 HB ILE 33 6.216 -3.988 -2.667
273 HG12 ILE 33 2HG1 ILE 33 5.879 -5.710 -0.949
274 HG13 ILE 33 1HG1 ILE 33 6.685 -4.289 -0.296
275 HG21 ILE 33 1HG2 ILE 33 6.130 -2.009 -1.226
276 HG22 ILE 33 2HG2 ILE 33 4.407 -2.270 -0.981
277 HG23 ILE 33 3HG2 ILE 33 5.012 -1.869 -2.585
278 HD11 ILE 33 3HD1 ILE 33 5.060 -5.020 1.308
279 HD12 ILE 33 1HD1 ILE 33 3.790 -5.071 0.078
280 HD13 ILE 33 2HD1 ILE 33 4.459 -3.533 0.559
281 H LEU 34 H LEU 34 1.971 -3.476 -2.057
282 HA LEU 34 HA LEU 34 1.971 -1.680 -4.356
283 HB2 LEU 34 2HB LEU 34 -0.409 -2.929 -3.002
284 HB3 LEU 34 1HB LEU 34 -0.514 -1.627 -4.175
285 HG LEU 34 HG LEU 34 0.570 -3.290 -5.811
286 HD11 LEU 34 1HD1 LEU 34 0.207 -5.646 -5.343
287 HD12 LEU 34 2HD1 LEU 34 -0.357 -5.249 -3.721
288 HD13 LEU 34 3HD1 LEU 34 1.317 -4.931 -4.174
289 HD21 LEU 34 3HD2 LEU 34 -2.202 -3.796 -4.753
290 HD22 LEU 34 1HD2 LEU 34 -1.604 -4.273 -6.344
291 HD23 LEU 34 2HD2 LEU 34 -1.743 -2.561 -5.920
292 H GLN 35 H GLN 35 3.289 -0.511 -2.777
293 HA GLN 35 HA GLN 35 1.542 1.103 -1.084
294 HB2 GLN 35 2HB GLN 35 4.425 0.352 -0.600
295 HB3 GLN 35 1HB GLN 35 3.542 1.537 0.346
296 HG2 GLN 35 2HG GLN 35 1.972 -0.216 1.021
297 HG3 GLN 35 1HG GLN 35 2.919 -1.405 0.135
298 HE21 GLN 35 1HE2 GLN 35 5.446 0.011 0.953
299 HE22 GLN 35 2HE2 GLN 35 5.660 -0.447 2.602
300 H GLY 36 H GLY 36 1.296 2.966 -1.975
301 HA2 GLY 36 2HA GLY 36 3.616 4.374 -2.998
302 HA3 GLY 36 1HA GLY 36 2.245 4.154 -4.095
303 H CYS 37 H CYS 37 2.091 6.468 -4.089
304 HA CYS 37 HA CYS 37 0.567 7.326 -1.781
305 HB2 CYS 37 2HB CYS 37 2.586 9.013 -3.286
306 HB3 CYS 37 1HB CYS 37 1.433 9.627 -2.110
307 H SER 38 H SER 38 -1.090 8.823 -2.216
308 HA SER 38 HA SER 38 -1.939 8.821 -4.999
309 HB2 SER 38 2HB SER 38 -2.973 6.898 -4.038
310 HB3 SER 38 1HB SER 38 -3.477 7.784 -2.610
311 HG SER 38 HG SER 38 -4.658 7.481 -4.998
312 H SER 39 H SER 39 -3.307 10.492 -5.536
313 HA SER 39 HA SER 39 -3.131 12.815 -3.874
314 HB2 SER 39 2HB SER 39 -2.719 13.017 -6.234
315 HB3 SER 39 1HB SER 39 -4.263 12.321 -6.662
316 HG SER 39 HG SER 39 -3.823 14.698 -5.187
317 H SER 40 H SER 40 -5.585 10.586 -5.025
318 HA SER 40 HA SER 40 -7.280 11.416 -2.855
319 HB2 SER 40 2HB SER 40 -9.273 11.331 -4.397
320 HB3 SER 40 1HB SER 40 -8.183 12.694 -4.675
321 HG SER 40 HG SER 40 -7.372 10.654 -6.179
322 H CYS 41 H CYS 41 -7.078 9.625 -1.767
323 HA CYS 41 HA CYS 41 -6.930 7.064 -3.135
324 HB2 CYS 41 2HB CYS 41 -5.278 7.824 -1.372
325 HB3 CYS 41 1HB CYS 41 -6.575 7.675 -0.200
326 H SER 42 H SER 42 -8.276 5.288 -2.451
327 HA SER 42 HA SER 42 -10.851 6.138 -1.354
328 HB2 SER 42 2HB SER 42 -10.976 5.350 -3.649
329 HB3 SER 42 1HB SER 42 -10.143 3.856 -3.184
330 HG SER 42 HG SER 42 -12.462 3.747 -3.399
331 H GLU 43 H GLU 43 -10.876 5.645 0.633
332 HA GLU 43 HA GLU 43 -9.256 3.675 1.866
333 HB2 GLU 43 2HB GLU 43 -11.653 5.042 3.081
334 HB3 GLU 43 1HB GLU 43 -10.390 4.185 3.948
335 HG2 GLU 43 2HG GLU 43 -9.572 6.261 4.235
336 HG3 GLU 43 1HG GLU 43 -8.924 5.926 2.624
337 H THR 44 H THR 44 -9.538 1.637 1.550
338 HA THR 44 HA THR 44 -12.194 0.530 2.043
339 HB THR 44 HB THR 44 -11.598 -1.344 0.479
340 HG1 THR 44 1HG THR 44 -9.719 0.115 -0.863
341 HG21 THR 44 3HG2 THR 44 -11.967 -0.119 -1.632
342 HG22 THR 44 1HG2 THR 44 -11.603 1.395 -0.806
343 HG23 THR 44 2HG2 THR 44 -13.028 0.463 -0.349
344 H GLU 45 H GLU 45 -11.490 -2.138 2.319
345 HA GLU 45 HA GLU 45 -9.533 -1.991 4.465
346 HB2 GLU 45 2HB GLU 45 -11.840 -3.101 4.684
347 HB3 GLU 45 1HB GLU 45 -11.185 -4.389 3.680
348 HG2 GLU 45 2HG GLU 45 -10.995 -5.035 5.954
349 HG3 GLU 45 1HG GLU 45 -9.381 -4.683 5.333
350 H ASN 46 H ASN 46 -9.903 -2.803 1.249
351 HA ASN 46 HA ASN 46 -7.887 -4.850 1.044
352 HB2 ASN 46 2HB ASN 46 -9.812 -4.670 -0.528
353 HB3 ASN 46 1HB ASN 46 -9.180 -3.128 -1.084
354 HD21 ASN 46 1HD2 ASN 46 -7.238 -5.991 -0.347
355 HD22 ASN 46 2HD2 ASN 46 -6.749 -6.249 -1.973
356 H ASN 47 H ASN 47 -8.246 -1.424 0.364
357 HA ASN 47 HA ASN 47 -5.347 -1.101 0.332
358 HB2 ASN 47 2HB ASN 47 -6.165 -0.752 -1.917
359 HB3 ASN 47 1HB ASN 47 -7.467 0.265 -1.313
360 HD21 ASN 47 1HD2 ASN 47 -7.015 2.379 -0.713
361 HD22 ASN 47 2HD2 ASN 47 -5.535 3.161 -1.082
362 H LYS 48 H LYS 48 -4.755 0.020 1.976
363 HA LYS 48 HA LYS 48 -6.740 1.607 3.406
364 HB2 LYS 48 2HB LYS 48 -3.942 0.853 4.234
365 HB3 LYS 48 1HB LYS 48 -5.171 1.599 5.254
366 HG2 LYS 48 2HG LYS 48 -5.114 -1.176 4.125
367 HG3 LYS 48 1HG LYS 48 -4.961 -0.680 5.816
368 HD2 LYS 48 2HD LYS 48 -7.425 -0.375 4.100
369 HD3 LYS 48 1HD LYS 48 -7.170 -1.636 5.297
370 HE2 LYS 48 2HE LYS 48 -7.046 0.075 7.054
371 HE3 LYS 48 1HE LYS 48 -7.318 1.328 5.842
372 HZ1 LYS 48 3HZ LYS 48 -9.432 0.294 5.313
373 HZ2 LYS 48 1HZ LYS 48 -9.407 0.716 6.955
374 HZ3 LYS 48 2HZ LYS 48 -9.174 -0.887 6.482
375 H CYS 49 H CYS 49 -6.382 3.703 3.840
376 HA CYS 49 HA CYS 49 -4.251 5.004 2.279
377 HB2 CYS 49 2HB CYS 49 -6.998 6.131 2.774
378 HB3 CYS 49 1HB CYS 49 -5.750 6.791 1.733
379 H CYS 50 H CYS 50 -2.897 5.929 3.629
380 HA CYS 50 HA CYS 50 -3.987 7.102 6.063
381 HB2 CYS 50 2HB CYS 50 -1.627 6.712 6.960
382 HB3 CYS 50 1HB CYS 50 -2.623 5.277 6.734
383 H SER 51 H SER 51 -3.065 9.144 6.672
384 HA SER 51 HA SER 51 -1.898 10.541 4.375
385 HB2 SER 51 2HB SER 51 -3.177 12.521 5.376
386 HB3 SER 51 1HB SER 51 -4.133 11.261 4.587
387 HG SER 51 HG SER 51 -4.910 10.621 6.488
388 H THR 52 H THR 52 -0.613 9.247 6.780
389 HA THR 52 HA THR 52 0.623 11.652 7.923
390 HB THR 52 HB THR 52 0.678 8.969 9.221
391 HG1 THR 52 1HG THR 52 -1.387 10.913 9.076
392 HG21 THR 52 3HG2 THR 52 0.704 11.796 10.292
393 HG22 THR 52 1HG2 THR 52 2.113 10.757 10.095
394 HG23 THR 52 2HG2 THR 52 0.865 10.339 11.269
395 H ASP 53 H ASP 53 2.862 11.535 8.188
396 HA ASP 53 HA ASP 53 4.163 10.304 5.979
397 HB2 ASP 53 2HB ASP 53 6.244 11.279 6.743
398 HB3 ASP 53 1HB ASP 53 4.964 12.469 6.921
399 H ARG 54 H ARG 54 5.449 8.632 5.800
400 HA ARG 54 HA ARG 54 6.350 6.646 6.152
401 HB2 ARG 54 2HB ARG 54 6.596 7.686 8.970
402 HB3 ARG 54 1HB ARG 54 7.363 6.209 8.403
403 HG2 ARG 54 2HG ARG 54 8.709 7.409 6.854
404 HG3 ARG 54 1HG ARG 54 7.798 8.884 7.127
405 HD2 ARG 54 2HD ARG 54 9.970 8.898 8.293
406 HD3 ARG 54 1HD ARG 54 8.596 9.073 9.383
407 HE ARG 54 HE ARG 54 9.968 6.496 8.985
408 HH11 ARG 54 1HH1 ARG 54 8.831 9.074 11.173
409 HH12 ARG 54 2HH1 ARG 54 9.143 8.186 12.580
410 HH21 ARG 54 1HH2 ARG 54 10.407 5.314 10.932
411 HH22 ARG 54 2HH2 ARG 54 10.076 6.008 12.448
412 H CYS 55 H CYS 55 3.314 7.125 6.741
413 HA CYS 55 HA CYS 55 2.543 5.332 8.764
414 HB2 CYS 55 2HB CYS 55 0.316 5.463 7.749
415 HB3 CYS 55 1HB CYS 55 1.054 7.053 7.942
416 H ASN 56 H ASN 56 3.193 4.799 5.342
417 HA ASN 56 HA ASN 56 2.071 2.161 5.504
418 HB2 ASN 56 2HB ASN 56 2.421 1.983 3.076
419 HB3 ASN 56 1HB ASN 56 1.594 3.476 3.486
420 HD21 ASN 56 1HD2 ASN 56 2.850 3.015 1.094
421 HD22 ASN 56 2HD2 ASN 56 4.220 4.050 0.921
422 H LYS 57 H LYS 57 3.798 1.996 7.183
423 HA LYS 57 HA LYS 57 6.382 1.160 6.211
424 HB2 LYS 57 2HB LYS 57 6.842 0.814 8.710
425 HB3 LYS 57 1HB LYS 57 6.583 2.463 8.169
426 HG2 LYS 57 2HG LYS 57 4.227 2.293 8.966
427 HG3 LYS 57 1HG LYS 57 4.611 0.698 9.604
428 HD2 LYS 57 2HD LYS 57 6.006 3.256 10.410
429 HD3 LYS 57 1HD LYS 57 4.682 2.523 11.308
430 HE2 LYS 57 2HE LYS 57 7.365 1.245 10.762
431 HE3 LYS 57 1HE LYS 57 6.880 2.002 12.273
432 HZ1 LYS 57 3HZ LYS 57 6.615 -0.382 12.432
433 HZ2 LYS 57 1HZ LYS 57 5.648 -0.418 11.062
434 HZ3 LYS 57 2HZ LYS 57 5.095 0.327 12.449
Start of MODEL 2
1 H1 LEU 1 1HT LEU 1 3.195 15.433 2.291
2 H2 LEU 1 2HT LEU 1 3.828 14.777 0.860
3 H3 LEU 1 3HT LEU 1 4.860 15.420 2.012
4 HA LEU 1 HA LEU 1 4.361 13.752 3.552
5 HB2 LEU 1 2HB LEU 1 2.442 12.856 1.450
6 HB3 LEU 1 1HB LEU 1 3.140 11.709 2.567
7 HG LEU 1 HG LEU 1 1.357 14.045 3.268
8 HD11 LEU 1 2HD1 LEU 1 1.020 11.068 3.447
9 HD12 LEU 1 3HD1 LEU 1 0.263 12.118 2.252
10 HD13 LEU 1 1HD1 LEU 1 -0.162 12.278 3.961
11 HD21 LEU 1 1HD2 LEU 1 2.775 12.024 4.999
12 HD22 LEU 1 2HD2 LEU 1 1.487 13.086 5.555
13 HD23 LEU 1 3HD2 LEU 1 3.021 13.772 5.020
14 H LYS 2 H LYS 2 5.824 12.306 3.732
15 HA LYS 2 HA LYS 2 6.986 11.238 1.317
16 HB2 LYS 2 2HB LYS 2 9.011 10.774 2.770
17 HB3 LYS 2 1HB LYS 2 8.668 12.471 2.505
18 HG2 LYS 2 2HG LYS 2 7.626 12.597 4.732
19 HG3 LYS 2 1HG LYS 2 8.028 10.898 4.996
20 HD2 LYS 2 2HD LYS 2 10.383 11.386 4.832
21 HD3 LYS 2 1HD LYS 2 10.044 13.061 4.406
22 HE2 LYS 2 2HE LYS 2 8.959 13.352 6.619
23 HE3 LYS 2 1HE LYS 2 9.427 11.704 7.029
24 HZ1 LYS 2 3HZ LYS 2 11.742 12.337 6.793
25 HZ2 LYS 2 1HZ LYS 2 10.969 13.336 7.914
26 HZ3 LYS 2 2HZ LYS 2 11.299 13.913 6.376
27 H CYS 3 H CYS 3 6.651 9.105 0.964
28 HA CYS 3 HA CYS 3 5.772 7.479 3.244
29 HB2 CYS 3 2HB CYS 3 4.406 7.287 0.548
30 HB3 CYS 3 1HB CYS 3 3.875 6.644 2.104
31 H PHE 4 H PHE 4 5.853 5.112 2.685
32 HA PHE 4 HA PHE 4 8.384 4.550 1.398
33 HB2 PHE 4 2HB PHE 4 6.430 2.685 2.768
34 HB3 PHE 4 1HB PHE 4 8.049 2.263 2.233
35 HD1 PHE 4 1HD PHE 4 9.995 3.152 3.405
36 HD2 PHE 4 2HD PHE 4 6.059 3.877 4.784
37 HE1 PHE 4 1HE PHE 4 10.891 3.823 5.584
38 HE2 PHE 4 2HE PHE 4 6.946 4.547 6.964
39 HZ PHE 4 HZ PHE 4 9.371 4.521 7.370
40 H GLN 5 H GLN 5 7.844 5.021 -0.717
41 HA GLN 5 HA GLN 5 5.657 3.669 -2.006
42 HB2 GLN 5 2HB GLN 5 6.388 5.876 -2.732
43 HB3 GLN 5 1HB GLN 5 7.939 5.221 -3.211
44 HG2 GLN 5 2HG GLN 5 6.750 3.806 -4.877
45 HG3 GLN 5 1HG GLN 5 5.254 4.632 -4.442
46 HE21 GLN 5 1HE2 GLN 5 8.410 6.156 -4.662
47 HE22 GLN 5 2HE2 GLN 5 8.031 7.162 -6.012
48 H HIS 6 H HIS 6 9.194 3.224 -2.176
49 HA HIS 6 HA HIS 6 8.570 0.592 -3.343
50 HB2 HIS 6 2HB HIS 6 10.189 2.106 -4.602
51 HB3 HIS 6 1HB HIS 6 11.320 1.888 -3.269
52 HD1 HIS 6 1HD HIS 6 12.989 0.075 -3.737
53 HD2 HIS 6 2HD HIS 6 9.383 -0.572 -5.687
54 HE1 HIS 6 1HE HIS 6 13.293 -2.039 -5.084
55 H GLY 7 H GLY 7 8.428 1.495 -0.534
56 HA2 GLY 7 2HA GLY 7 8.667 0.133 1.409
57 HA3 GLY 7 1HA GLY 7 10.048 -0.657 0.647
58 H LYS 8 H LYS 8 10.837 2.097 -0.220
59 HA LYS 8 HA LYS 8 12.118 2.939 2.264
60 HB2 LYS 8 2HB LYS 8 12.836 3.661 -0.592
61 HB3 LYS 8 1HB LYS 8 13.748 4.093 0.845
62 HG2 LYS 8 2HG LYS 8 13.360 1.320 -0.272
63 HG3 LYS 8 1HG LYS 8 14.841 2.275 -0.307
64 HD2 LYS 8 2HD LYS 8 14.923 2.214 2.155
65 HD3 LYS 8 1HD LYS 8 13.443 1.259 2.172
66 HE2 LYS 8 2HE LYS 8 15.347 -0.205 2.445
67 HE3 LYS 8 1HE LYS 8 14.574 -0.499 0.900
68 HZ1 LYS 8 3HZ LYS 8 16.986 -0.440 0.734
69 HZ2 LYS 8 1HZ LYS 8 17.006 1.155 1.272
70 HZ3 LYS 8 2HZ LYS 8 16.282 0.764 -0.207
71 H VAL 9 H VAL 9 11.819 5.039 2.930
72 HA VAL 9 HA VAL 9 9.421 6.208 1.946
73 HB VAL 9 HB VAL 9 9.689 6.270 4.332
74 HG11 VAL 9 1HG1 VAL 9 12.193 7.882 3.910
75 HG12 VAL 9 2HG1 VAL 9 12.080 6.238 4.557
76 HG13 VAL 9 3HG1 VAL 9 11.393 7.590 5.455
77 HG21 VAL 9 3HG2 VAL 9 9.972 9.004 3.152
78 HG22 VAL 9 1HG2 VAL 9 9.413 8.685 4.790
79 HG23 VAL 9 2HG2 VAL 9 8.472 8.115 3.411
80 H VAL 10 H VAL 10 9.196 7.467 0.392
81 HA VAL 10 HA VAL 10 11.406 9.204 -0.384
82 HB VAL 10 HB VAL 10 10.718 8.979 -2.715
83 HG11 VAL 10 1HG1 VAL 10 11.405 6.676 -3.129
84 HG12 VAL 10 2HG1 VAL 10 11.127 6.288 -1.430
85 HG13 VAL 10 3HG1 VAL 10 12.391 7.433 -1.877
86 HG21 VAL 10 3HG2 VAL 10 8.333 8.571 -2.385
87 HG22 VAL 10 1HG2 VAL 10 8.685 6.977 -1.723
88 HG23 VAL 10 2HG2 VAL 10 9.043 7.330 -3.416
89 H THR 11 H THR 11 10.773 11.204 -1.209
90 HA THR 11 HA THR 11 8.466 12.299 -0.011
91 HB THR 11 HB THR 11 10.304 13.477 -2.114
92 HG1 THR 11 1HG THR 11 11.665 13.385 -0.502
93 HG21 THR 11 3HG2 THR 11 8.425 14.797 -0.143
94 HG22 THR 11 1HG2 THR 11 8.185 14.701 -1.887
95 HG23 THR 11 2HG2 THR 11 9.526 15.641 -1.232
96 H CYS 12 H CYS 12 6.487 12.085 -0.761
97 HA CYS 12 HA CYS 12 5.882 11.239 -3.435
98 HB2 CYS 12 2HB CYS 12 4.025 12.216 -1.260
99 HB3 CYS 12 1HB CYS 12 3.650 11.163 -2.626
100 H HIS 13 H HIS 13 4.490 12.585 -4.856
101 HA HIS 13 HA HIS 13 5.489 15.240 -4.974
102 HB2 HIS 13 2HB HIS 13 4.716 13.777 -6.930
103 HB3 HIS 13 1HB HIS 13 3.070 14.201 -6.477
104 HD1 HIS 13 1HD HIS 13 2.175 16.247 -7.801
105 HD2 HIS 13 2HD HIS 13 6.329 16.202 -7.407
106 HE1 HIS 13 1HE HIS 13 2.995 18.197 -9.042
107 H ARG 14 H ARG 14 4.060 17.159 -5.006
108 HA ARG 14 HA ARG 14 2.744 17.395 -2.516
109 HB2 ARG 14 2HB ARG 14 2.148 19.686 -3.198
110 HB3 ARG 14 1HB ARG 14 3.846 19.307 -3.428
111 HG2 ARG 14 2HG ARG 14 3.475 19.003 -5.809
112 HG3 ARG 14 1HG ARG 14 1.754 19.313 -5.585
113 HD2 ARG 14 2HD ARG 14 2.927 21.278 -6.418
114 HD3 ARG 14 1HD ARG 14 2.241 21.573 -4.818
115 HE ARG 14 HE ARG 14 4.793 20.796 -4.317
116 HH11 ARG 14 1HH1 ARG 14 3.371 23.329 -6.353
117 HH12 ARG 14 2HH1 ARG 14 4.730 24.354 -6.229
118 HH21 ARG 14 1HH2 ARG 14 6.636 22.250 -4.138
119 HH22 ARG 14 2HH2 ARG 14 6.608 23.728 -4.984
120 H ASP 15 H ASP 15 1.491 16.119 -5.302
121 HA ASP 15 HA ASP 15 -1.260 16.926 -4.882
122 HB2 ASP 15 2HB ASP 15 -0.048 14.721 -6.562
123 HB3 ASP 15 1HB ASP 15 -1.768 15.070 -6.499
124 H MET 16 H MET 16 0.917 14.470 -3.949
125 HA MET 16 HA MET 16 -1.007 12.566 -3.194
126 HB2 MET 16 2HB MET 16 1.964 12.740 -2.855
127 HB3 MET 16 1HB MET 16 1.059 11.410 -2.165
128 HG2 MET 16 2HG MET 16 1.931 10.727 -4.219
129 HG3 MET 16 1HG MET 16 0.186 10.874 -4.354
130 HE1 MET 16 3HE MET 16 0.198 10.769 -6.813
131 HE2 MET 16 1HE MET 16 1.936 10.486 -6.789
132 HE3 MET 16 2HE MET 16 1.250 11.668 -7.928
133 H LYS 17 H LYS 17 -2.300 12.979 -1.739
134 HA LYS 17 HA LYS 17 -1.620 14.503 0.637
135 HB2 LYS 17 2HB LYS 17 -3.585 15.062 -0.801
136 HB3 LYS 17 1HB LYS 17 -4.230 13.481 -0.462
137 HG2 LYS 17 2HG LYS 17 -4.526 14.025 1.855
138 HG3 LYS 17 1HG LYS 17 -3.760 15.601 1.616
139 HD2 LYS 17 2HD LYS 17 -5.522 16.258 0.091
140 HD3 LYS 17 1HD LYS 17 -6.265 14.665 0.216
141 HE2 LYS 17 2HE LYS 17 -7.427 16.333 1.589
142 HE3 LYS 17 1HE LYS 17 -6.732 15.044 2.567
143 HZ1 LYS 17 3HZ LYS 17 -6.436 17.301 3.441
144 HZ2 LYS 17 1HZ LYS 17 -5.441 17.686 2.151
145 HZ3 LYS 17 2HZ LYS 17 -4.982 16.482 3.257
146 H PHE 18 H PHE 18 -2.017 11.263 -0.433
147 HA PHE 18 HA PHE 18 -2.199 10.334 2.340
148 HB2 PHE 18 2HB PHE 18 -3.750 9.182 0.010
149 HB3 PHE 18 1HB PHE 18 -3.689 8.518 1.633
150 HD1 PHE 18 2HD PHE 18 -5.035 11.165 -0.501
151 HD2 PHE 18 1HD PHE 18 -4.955 9.543 3.435
152 HE1 PHE 18 2HE PHE 18 -6.991 12.496 0.070
153 HE2 PHE 18 1HE PHE 18 -6.932 10.881 4.023
154 HZ PHE 18 HZ PHE 18 -7.958 12.362 2.346
155 H CYS 19 H CYS 19 -1.055 8.493 2.731
156 HA CYS 19 HA CYS 19 0.597 7.402 0.580
157 HB2 CYS 19 2HB CYS 19 0.559 6.583 3.502
158 HB3 CYS 19 1HB CYS 19 1.822 6.322 2.309
159 H TYR 20 H TYR 20 0.075 5.240 -0.095
160 HA TYR 20 HA TYR 20 -2.236 4.189 1.334
161 HB2 TYR 20 2HB TYR 20 -3.149 3.203 -0.702
162 HB3 TYR 20 1HB TYR 20 -2.971 4.938 -0.871
163 HD1 TYR 20 2HD TYR 20 -1.353 5.849 -2.426
164 HD2 TYR 20 1HD TYR 20 -1.865 1.669 -2.043
165 HE1 TYR 20 2HE TYR 20 -0.167 5.521 -4.540
166 HE2 TYR 20 1HE TYR 20 -0.677 1.315 -4.155
167 HH TYR 20 HH TYR 20 -0.187 2.642 -6.217
168 H HIS 21 H HIS 21 -2.427 2.147 1.740
169 HA HIS 21 HA HIS 21 -0.068 0.459 1.375
170 HB2 HIS 21 2HB HIS 21 -0.429 1.106 3.725
171 HB3 HIS 21 1HB HIS 21 -2.108 0.593 3.621
172 HD1 HIS 21 1HD HIS 21 -2.527 -1.733 4.458
173 HD2 HIS 21 2HD HIS 21 1.381 -1.104 3.255
174 HE1 HIS 21 1HE HIS 21 -1.338 -3.878 4.923
175 H ASN 22 H ASN 22 -0.461 -1.262 0.162
176 HA ASN 22 HA ASN 22 -3.261 -1.935 -0.333
177 HB2 ASN 22 2HB ASN 22 -2.076 -1.008 -2.296
178 HB3 ASN 22 1HB ASN 22 -0.906 -2.320 -2.213
179 HD21 ASN 22 1HD2 ASN 22 -4.116 -1.402 -2.952
180 HD22 ASN 22 2HD2 ASN 22 -4.610 -2.873 -3.704
181 H THR 23 H THR 23 -3.861 -3.870 0.246
182 HA THR 23 HA THR 23 -1.834 -5.699 1.212
183 HB THR 23 HB THR 23 -3.810 -6.952 2.187
184 HG1 THR 23 1HG THR 23 -5.189 -4.581 1.380
185 HG21 THR 23 3HG2 THR 23 -2.444 -5.414 3.483
186 HG22 THR 23 1HG2 THR 23 -4.137 -5.355 4.001
187 HG23 THR 23 2HG2 THR 23 -3.475 -4.075 2.972
188 H GLY 24 H GLY 24 -1.108 -6.296 -0.792
189 HA2 GLY 24 2HA GLY 24 -2.791 -7.413 -2.790
190 HA3 GLY 24 1HA GLY 24 -1.033 -7.469 -2.742
191 H MET 25 H MET 25 -3.459 -9.339 -3.091
192 HA MET 25 HA MET 25 -3.512 -11.343 -1.210
193 HB2 MET 25 2HB MET 25 -3.887 -11.605 -4.202
194 HB3 MET 25 1HB MET 25 -4.391 -12.790 -3.016
195 HG2 MET 25 2HG MET 25 -6.316 -11.587 -3.685
196 HG3 MET 25 1HG MET 25 -5.917 -11.049 -2.058
197 HE1 MET 25 3HE MET 25 -7.512 -8.966 -2.327
198 HE2 MET 25 1HE MET 25 -7.934 -9.503 -3.953
199 HE3 MET 25 2HE MET 25 -7.438 -7.832 -3.678
200 HA PRO 26 HA PRO 26 0.286 -13.543 -1.791
201 HB2 PRO 26 2HB PRO 26 -0.351 -15.948 -0.808
202 HB3 PRO 26 1HB PRO 26 -0.272 -14.521 0.237
203 HG2 PRO 26 2HG PRO 26 -2.660 -15.791 -1.041
204 HG3 PRO 26 1HG PRO 26 -2.463 -15.293 0.659
205 HD2 PRO 26 2HD PRO 26 -3.758 -13.787 -1.176
206 HD3 PRO 26 1HD PRO 26 -2.813 -13.063 0.139
207 H PHE 27 H PHE 27 0.804 -13.864 -3.847
208 HA PHE 27 HA PHE 27 -0.402 -16.124 -5.248
209 HB2 PHE 27 2HB PHE 27 1.028 -13.695 -6.321
210 HB3 PHE 27 1HB PHE 27 0.490 -15.044 -7.321
211 HD1 PHE 27 1HD PHE 27 -1.985 -15.437 -7.525
212 HD2 PHE 27 2HD PHE 27 -0.363 -11.944 -5.745
213 HE1 PHE 27 1HE PHE 27 -4.127 -14.275 -7.871
214 HE2 PHE 27 2HE PHE 27 -2.498 -10.767 -6.081
215 HZ PHE 27 HZ PHE 27 -4.384 -11.932 -7.144
216 H ARG 28 H ARG 28 1.043 -17.603 -6.089
217 HA ARG 28 HA ARG 28 3.388 -17.971 -4.588
218 HB2 ARG 28 2HB ARG 28 2.619 -19.290 -7.186
219 HB3 ARG 28 1HB ARG 28 3.884 -19.848 -6.099
220 HG2 ARG 28 2HG ARG 28 0.925 -19.749 -5.525
221 HG3 ARG 28 1HG ARG 28 1.899 -21.188 -5.813
222 HD2 ARG 28 2HD ARG 28 3.191 -20.704 -3.784
223 HD3 ARG 28 1HD ARG 28 2.198 -19.273 -3.508
224 HE ARG 28 HE ARG 28 0.903 -21.865 -3.711
225 HH11 ARG 28 1HH1 ARG 28 1.834 -19.095 -1.684
226 HH12 ARG 28 2HH1 ARG 28 0.879 -19.572 -0.367
227 HH21 ARG 28 1HH2 ARG 28 -0.434 -22.496 -1.862
228 HH22 ARG 28 2HH2 ARG 28 -0.430 -21.541 -0.467
229 H ASN 29 H ASN 29 5.050 -16.754 -4.666
230 HA ASN 29 HA ASN 29 6.905 -15.733 -5.296
231 HB2 ASN 29 2HB ASN 29 6.329 -16.910 -7.996
232 HB3 ASN 29 1HB ASN 29 7.798 -15.995 -7.634
233 HD21 ASN 29 1HD2 ASN 29 9.295 -16.923 -6.162
234 HD22 ASN 29 2HD2 ASN 29 9.292 -18.618 -5.866
235 H LEU 30 H LEU 30 4.131 -14.613 -5.599
236 HA LEU 30 HA LEU 30 5.134 -12.139 -6.632
237 HB2 LEU 30 2HB LEU 30 3.968 -13.258 -8.559
238 HB3 LEU 30 1HB LEU 30 2.487 -13.236 -7.640
239 HG LEU 30 HG LEU 30 3.941 -10.681 -8.390
240 HD11 LEU 30 1HD1 LEU 30 3.466 -11.920 -10.426
241 HD12 LEU 30 2HD1 LEU 30 2.422 -10.506 -10.279
242 HD13 LEU 30 3HD1 LEU 30 1.786 -12.112 -9.922
243 HD21 LEU 30 3HD2 LEU 30 1.734 -9.658 -8.133
244 HD22 LEU 30 1HD2 LEU 30 2.214 -10.475 -6.644
245 HD23 LEU 30 2HD2 LEU 30 1.040 -11.227 -7.725
246 H LYS 31 H LYS 31 5.175 -11.372 -4.664
247 HA LYS 31 HA LYS 31 2.690 -11.276 -3.180
248 HB2 LYS 31 2HB LYS 31 4.633 -11.786 -1.818
249 HB3 LYS 31 1HB LYS 31 5.502 -10.400 -2.458
250 HG2 LYS 31 2HG LYS 31 4.694 -10.011 -0.173
251 HG3 LYS 31 1HG LYS 31 3.991 -8.883 -1.329
252 HD2 LYS 31 2HD LYS 31 1.939 -10.288 -1.379
253 HD3 LYS 31 1HD LYS 31 2.655 -11.326 -0.142
254 HE2 LYS 31 2HE LYS 31 2.793 -9.419 1.378
255 HE3 LYS 31 1HE LYS 31 2.112 -8.373 0.140
256 HZ1 LYS 31 3HZ LYS 31 0.042 -9.684 0.254
257 HZ2 LYS 31 1HZ LYS 31 0.466 -9.035 1.738
258 HZ3 LYS 31 2HZ LYS 31 0.725 -10.656 1.442
259 H LEU 32 H LEU 32 1.381 -9.820 -3.886
260 HA LEU 32 HA LEU 32 2.304 -7.550 -5.322
261 HB2 LEU 32 2HB LEU 32 0.287 -8.652 -5.999
262 HB3 LEU 32 1HB LEU 32 -0.456 -8.397 -4.438
263 HG LEU 32 HG LEU 32 -0.404 -5.932 -4.898
264 HD11 LEU 32 1HD1 LEU 32 -0.065 -5.186 -7.200
265 HD12 LEU 32 2HD1 LEU 32 0.450 -6.814 -7.646
266 HD13 LEU 32 3HD1 LEU 32 1.402 -5.867 -6.502
267 HD21 LEU 32 3HD2 LEU 32 -2.270 -5.971 -6.489
268 HD22 LEU 32 1HD2 LEU 32 -2.426 -7.232 -5.264
269 HD23 LEU 32 2HD2 LEU 32 -1.880 -7.645 -6.889
270 H ILE 33 H ILE 33 3.280 -6.094 -4.218
271 HA ILE 33 HA ILE 33 1.806 -4.817 -2.065
272 HB ILE 33 HB ILE 33 4.761 -5.402 -2.201
273 HG12 ILE 33 2HG1 ILE 33 3.336 -6.910 -0.923
274 HG13 ILE 33 1HG1 ILE 33 4.452 -6.057 0.142
275 HG21 ILE 33 1HG2 ILE 33 3.566 -3.178 -0.554
276 HG22 ILE 33 2HG2 ILE 33 4.680 -2.992 -1.908
277 HG23 ILE 33 3HG2 ILE 33 5.219 -3.781 -0.423
278 HD11 ILE 33 3HD1 ILE 33 2.586 -4.479 0.699
279 HD12 ILE 33 1HD1 ILE 33 2.287 -6.149 1.197
280 HD13 ILE 33 2HD1 ILE 33 1.509 -5.498 -0.238
281 H LEU 34 H LEU 34 1.012 -3.035 -2.790
282 HA LEU 34 HA LEU 34 2.449 -1.719 -4.900
283 HB2 LEU 34 2HB LEU 34 -0.190 -0.949 -3.640
284 HB3 LEU 34 1HB LEU 34 0.588 -0.085 -4.949
285 HG LEU 34 HG LEU 34 -0.450 -2.916 -5.099
286 HD11 LEU 34 1HD1 LEU 34 -2.098 -1.980 -6.641
287 HD12 LEU 34 2HD1 LEU 34 -1.465 -0.362 -6.330
288 HD13 LEU 34 3HD1 LEU 34 -2.232 -1.275 -5.030
289 HD21 LEU 34 3HD2 LEU 34 1.507 -2.645 -6.529
290 HD22 LEU 34 1HD2 LEU 34 0.819 -1.170 -7.215
291 HD23 LEU 34 2HD2 LEU 34 0.044 -2.724 -7.506
292 H GLN 35 H GLN 35 1.044 -0.641 -1.844
293 HA GLN 35 HA GLN 35 1.515 1.158 -0.522
294 HB2 GLN 35 2HB GLN 35 4.124 -0.319 -0.615
295 HB3 GLN 35 1HB GLN 35 3.792 0.979 0.527
296 HG2 GLN 35 2HG GLN 35 1.973 -0.313 1.455
297 HG3 GLN 35 1HG GLN 35 2.257 -1.596 0.282
298 HE21 GLN 35 1HE2 GLN 35 4.843 0.186 1.821
299 HE22 GLN 35 2HE2 GLN 35 5.430 -1.118 2.769
300 H GLY 36 H GLY 36 1.290 3.018 -1.679
301 HA2 GLY 36 2HA GLY 36 3.822 4.236 -2.462
302 HA3 GLY 36 1HA GLY 36 2.553 4.101 -3.673
303 H CYS 37 H CYS 37 2.532 6.343 -3.818
304 HA CYS 37 HA CYS 37 1.261 7.680 -1.531
305 HB2 CYS 37 2HB CYS 37 2.801 8.978 -3.777
306 HB3 CYS 37 1HB CYS 37 2.303 9.682 -2.242
307 H SER 38 H SER 38 -0.710 8.717 -1.983
308 HA SER 38 HA SER 38 -1.530 8.855 -4.786
309 HB2 SER 38 2HB SER 38 -2.520 6.797 -3.849
310 HB3 SER 38 1HB SER 38 -3.249 7.735 -2.546
311 HG SER 38 HG SER 38 -3.788 8.057 -5.330
312 H SER 39 H SER 39 -3.177 10.419 -5.197
313 HA SER 39 HA SER 39 -3.050 12.718 -3.441
314 HB2 SER 39 2HB SER 39 -2.698 12.851 -5.937
315 HB3 SER 39 1HB SER 39 -4.376 12.385 -6.164
316 HG SER 39 HG SER 39 -3.624 14.577 -4.570
317 H SER 40 H SER 40 -5.022 10.022 -3.884
318 HA SER 40 HA SER 40 -7.226 11.336 -2.513
319 HB2 SER 40 2HB SER 40 -7.463 9.432 -4.857
320 HB3 SER 40 1HB SER 40 -8.809 10.123 -3.949
321 HG SER 40 HG SER 40 -7.936 12.201 -4.576
322 H CYS 41 H CYS 41 -8.665 9.664 -1.471
323 HA CYS 41 HA CYS 41 -7.037 7.416 -0.579
324 HB2 CYS 41 2HB CYS 41 -7.639 8.789 1.289
325 HB3 CYS 41 1HB CYS 41 -9.328 8.829 0.785
326 H SER 42 H SER 42 -7.526 5.568 -1.467
327 HA SER 42 HA SER 42 -10.153 5.048 -2.511
328 HB2 SER 42 2HB SER 42 -8.173 4.164 -3.684
329 HB3 SER 42 1HB SER 42 -7.708 3.280 -2.226
330 HG SER 42 HG SER 42 -9.487 2.640 -4.180
331 H GLU 43 H GLU 43 -11.675 4.367 -1.264
332 HA GLU 43 HA GLU 43 -10.969 3.494 1.398
333 HB2 GLU 43 2HB GLU 43 -13.361 3.989 1.986
334 HB3 GLU 43 1HB GLU 43 -12.393 5.369 1.501
335 HG2 GLU 43 2HG GLU 43 -13.387 5.184 -0.761
336 HG3 GLU 43 1HG GLU 43 -14.449 3.923 -0.133
337 H THR 44 H THR 44 -10.362 1.594 0.033
338 HA THR 44 HA THR 44 -12.565 -0.295 -0.005
339 HB THR 44 HB THR 44 -11.070 -1.699 -1.439
340 HG1 THR 44 1HG THR 44 -9.380 0.417 -1.954
341 HG21 THR 44 3HG2 THR 44 -11.366 1.126 -2.474
342 HG22 THR 44 1HG2 THR 44 -12.638 -0.094 -2.498
343 HG23 THR 44 2HG2 THR 44 -11.175 -0.326 -3.453
344 H GLU 45 H GLU 45 -11.690 -2.590 0.677
345 HA GLU 45 HA GLU 45 -10.270 -2.171 3.163
346 HB2 GLU 45 2HB GLU 45 -10.718 -4.572 3.575
347 HB3 GLU 45 1HB GLU 45 -12.164 -3.586 3.367
348 HG2 GLU 45 2HG GLU 45 -12.495 -4.458 1.164
349 HG3 GLU 45 1HG GLU 45 -10.948 -5.309 1.219
350 H ASN 46 H ASN 46 -9.736 -3.401 0.040
351 HA ASN 46 HA ASN 46 -7.327 -4.780 0.633
352 HB2 ASN 46 2HB ASN 46 -8.431 -5.489 -1.315
353 HB3 ASN 46 1HB ASN 46 -8.595 -3.850 -1.935
354 HD21 ASN 46 1HD2 ASN 46 -6.345 -6.497 -1.379
355 HD22 ASN 46 2HD2 ASN 46 -5.184 -5.971 -2.522
356 H ASN 47 H ASN 47 -8.065 -1.469 -0.397
357 HA ASN 47 HA ASN 47 -5.227 -0.913 -0.098
358 HB2 ASN 47 2HB ASN 47 -6.050 -0.532 -2.385
359 HB3 ASN 47 1HB ASN 47 -7.301 0.535 -1.753
360 HD21 ASN 47 1HD2 ASN 47 -6.704 2.532 -0.896
361 HD22 ASN 47 2HD2 ASN 47 -5.183 3.248 -1.267
362 H LYS 48 H LYS 48 -4.805 0.192 1.616
363 HA LYS 48 HA LYS 48 -6.940 1.700 2.947
364 HB2 LYS 48 2HB LYS 48 -4.398 0.492 4.051
365 HB3 LYS 48 1HB LYS 48 -5.558 1.442 4.973
366 HG2 LYS 48 2HG LYS 48 -6.280 -1.106 3.568
367 HG3 LYS 48 1HG LYS 48 -5.711 -1.056 5.238
368 HD2 LYS 48 2HD LYS 48 -8.067 0.597 4.361
369 HD3 LYS 48 1HD LYS 48 -8.269 -1.105 4.748
370 HE2 LYS 48 2HE LYS 48 -8.801 0.291 6.683
371 HE3 LYS 48 1HE LYS 48 -7.395 -0.707 7.005
372 HZ1 LYS 48 3HZ LYS 48 -5.985 1.221 6.712
373 HZ2 LYS 48 1HZ LYS 48 -7.169 1.523 7.838
374 HZ3 LYS 48 2HZ LYS 48 -7.316 2.200 6.313
375 H CYS 49 H CYS 49 -6.402 3.787 3.727
376 HA CYS 49 HA CYS 49 -3.997 4.933 2.472
377 HB2 CYS 49 2HB CYS 49 -5.223 6.949 1.970
378 HB3 CYS 49 1HB CYS 49 -6.165 5.599 1.346
379 H CYS 50 H CYS 50 -2.856 6.386 3.745
380 HA CYS 50 HA CYS 50 -4.054 7.246 6.242
381 HB2 CYS 50 2HB CYS 50 -1.879 6.766 7.415
382 HB3 CYS 50 1HB CYS 50 -2.741 5.319 6.908
383 H SER 51 H SER 51 -3.166 9.296 6.952
384 HA SER 51 HA SER 51 -1.492 10.518 4.897
385 HB2 SER 51 2HB SER 51 -3.860 11.319 4.749
386 HB3 SER 51 1HB SER 51 -3.732 11.912 6.403
387 HG SER 51 HG SER 51 -2.447 12.804 4.065
388 H THR 52 H THR 52 0.162 9.682 6.406
389 HA THR 52 HA THR 52 0.999 11.862 8.106
390 HB THR 52 HB THR 52 1.207 9.035 9.093
391 HG1 THR 52 1HG THR 52 -0.944 10.739 9.127
392 HG21 THR 52 3HG2 THR 52 1.401 11.682 10.539
393 HG22 THR 52 1HG2 THR 52 2.756 10.659 10.059
394 HG23 THR 52 2HG2 THR 52 1.613 10.092 11.272
395 H ASP 53 H ASP 53 3.317 11.754 8.333
396 HA ASP 53 HA ASP 53 4.509 10.712 5.968
397 HB2 ASP 53 2HB ASP 53 6.616 11.640 6.713
398 HB3 ASP 53 1HB ASP 53 5.356 12.809 7.061
399 H ARG 54 H ARG 54 5.525 8.925 5.614
400 HA ARG 54 HA ARG 54 6.400 6.889 5.832
401 HB2 ARG 54 2HB ARG 54 6.922 7.775 8.665
402 HB3 ARG 54 1HB ARG 54 7.605 6.339 7.918
403 HG2 ARG 54 2HG ARG 54 8.838 7.630 6.372
404 HG3 ARG 54 1HG ARG 54 8.010 9.112 6.848
405 HD2 ARG 54 2HD ARG 54 9.786 7.459 8.634
406 HD3 ARG 54 1HD ARG 54 10.249 8.970 7.850
407 HE ARG 54 HE ARG 54 8.235 9.911 9.124
408 HH11 ARG 54 1HH1 ARG 54 10.395 7.426 10.416
409 HH12 ARG 54 2HH1 ARG 54 10.091 7.792 12.037
410 HH21 ARG 54 1HH2 ARG 54 7.775 10.393 11.264
411 HH22 ARG 54 2HH2 ARG 54 8.542 9.581 12.554
412 H CYS 55 H CYS 55 3.430 7.419 6.654
413 HA CYS 55 HA CYS 55 2.948 5.526 8.724
414 HB2 CYS 55 2HB CYS 55 0.572 5.808 8.217
415 HB3 CYS 55 1HB CYS 55 1.420 7.336 8.408
416 H ASN 56 H ASN 56 3.250 5.126 5.282
417 HA ASN 56 HA ASN 56 1.823 2.619 5.405
418 HB2 ASN 56 2HB ASN 56 2.072 2.464 2.963
419 HB3 ASN 56 1HB ASN 56 1.430 4.031 3.424
420 HD21 ASN 56 1HD2 ASN 56 2.676 3.326 0.986
421 HD22 ASN 56 2HD2 ASN 56 4.110 4.255 0.810
422 H LYS 57 H LYS 57 3.715 2.337 7.022
423 HA LYS 57 HA LYS 57 6.080 1.221 5.818
424 HB2 LYS 57 2HB LYS 57 6.832 0.953 8.230
425 HB3 LYS 57 1HB LYS 57 6.599 2.593 7.654
426 HG2 LYS 57 2HG LYS 57 4.427 2.674 8.776
427 HG3 LYS 57 1HG LYS 57 4.673 1.032 9.366
428 HD2 LYS 57 2HD LYS 57 6.640 1.774 10.608
429 HD3 LYS 57 1HD LYS 57 6.420 3.411 9.985
430 HE2 LYS 57 2HE LYS 57 4.218 3.506 11.064
431 HE3 LYS 57 1HE LYS 57 4.474 1.887 11.708
432 HZ1 LYS 57 3HZ LYS 57 6.354 2.727 12.967
433 HZ2 LYS 57 1HZ LYS 57 4.959 3.597 13.328
434 HZ3 LYS 57 2HZ LYS 57 6.135 4.264 12.317
Start of MODEL 3
1 H1 LEU 1 1HT LEU 1 5.466 15.084 2.392
2 H2 LEU 1 2HT LEU 1 3.775 15.155 2.456
3 H3 LEU 1 3HT LEU 1 4.557 14.411 1.143
4 HA LEU 1 HA LEU 1 4.689 13.473 3.904
5 HB2 LEU 1 2HB LEU 1 3.028 12.646 1.564
6 HB3 LEU 1 1HB LEU 1 3.491 11.478 2.778
7 HG LEU 1 HG LEU 1 1.927 13.994 3.350
8 HD11 LEU 1 2HD1 LEU 1 0.036 12.451 3.628
9 HD12 LEU 1 3HD1 LEU 1 1.069 11.114 3.112
10 HD13 LEU 1 1HD1 LEU 1 0.662 12.398 1.976
11 HD21 LEU 1 1HD2 LEU 1 3.240 13.246 5.240
12 HD22 LEU 1 2HD2 LEU 1 2.714 11.600 4.986
13 HD23 LEU 1 3HD2 LEU 1 1.545 12.817 5.518
14 H LYS 2 H LYS 2 6.170 12.082 4.307
15 HA LYS 2 HA LYS 2 7.569 10.978 2.026
16 HB2 LYS 2 2HB LYS 2 9.506 10.588 3.639
17 HB3 LYS 2 1HB LYS 2 9.152 12.261 3.248
18 HG2 LYS 2 2HG LYS 2 8.059 12.579 5.351
19 HG3 LYS 2 1HG LYS 2 8.212 10.865 5.741
20 HD2 LYS 2 2HD LYS 2 9.911 12.125 6.945
21 HD3 LYS 2 1HD LYS 2 10.658 11.109 5.713
22 HE2 LYS 2 2HE LYS 2 11.731 13.259 5.721
23 HE3 LYS 2 1HE LYS 2 10.818 13.075 4.232
24 HZ1 LYS 2 3HZ LYS 2 10.480 15.261 5.110
25 HZ2 LYS 2 1HZ LYS 2 10.047 14.661 6.618
26 HZ3 LYS 2 2HZ LYS 2 9.035 14.438 5.302
27 H CYS 3 H CYS 3 6.995 8.995 1.592
28 HA CYS 3 HA CYS 3 6.344 7.194 3.791
29 HB2 CYS 3 2HB CYS 3 4.580 7.638 1.370
30 HB3 CYS 3 1HB CYS 3 4.327 6.414 2.615
31 H PHE 4 H PHE 4 6.068 4.871 2.956
32 HA PHE 4 HA PHE 4 8.508 4.348 1.474
33 HB2 PHE 4 2HB PHE 4 6.582 2.411 2.779
34 HB3 PHE 4 1HB PHE 4 8.141 2.003 2.092
35 HD1 PHE 4 2HD PHE 4 10.202 2.909 3.188
36 HD2 PHE 4 1HD PHE 4 6.362 3.127 4.981
37 HE1 PHE 4 2HE PHE 4 11.254 3.237 5.381
38 HE2 PHE 4 1HE PHE 4 7.398 3.461 7.179
39 HZ PHE 4 HZ PHE 4 9.861 3.514 7.382
40 H GLN 5 H GLN 5 7.646 5.109 -0.564
41 HA GLN 5 HA GLN 5 5.499 3.587 -1.781
42 HB2 GLN 5 2HB GLN 5 5.784 5.889 -2.502
43 HB3 GLN 5 1HB GLN 5 7.430 5.553 -3.013
44 HG2 GLN 5 2HG GLN 5 6.666 4.163 -4.797
45 HG3 GLN 5 1HG GLN 5 4.999 4.278 -4.288
46 HE21 GLN 5 1HE2 GLN 5 7.286 6.950 -4.370
47 HE22 GLN 5 2HE2 GLN 5 6.511 7.800 -5.652
48 H HIS 6 H HIS 6 8.972 3.611 -2.018
49 HA HIS 6 HA HIS 6 8.814 1.263 -3.776
50 HB2 HIS 6 2HB HIS 6 11.114 3.193 -3.359
51 HB3 HIS 6 1HB HIS 6 11.142 1.799 -4.438
52 HD1 HIS 6 1HD HIS 6 9.453 1.932 -6.537
53 HD2 HIS 6 2HD HIS 6 9.981 5.443 -4.389
54 HE1 HIS 6 1HE HIS 6 8.452 3.764 -7.938
55 H GLY 7 H GLY 7 8.540 1.483 -0.870
56 HA2 GLY 7 2HA GLY 7 8.998 -0.033 0.826
57 HA3 GLY 7 1HA GLY 7 10.387 -0.627 -0.084
58 H LYS 8 H LYS 8 11.171 2.124 -0.563
59 HA LYS 8 HA LYS 8 12.428 2.738 2.003
60 HB2 LYS 8 2HB LYS 8 13.189 3.585 -0.807
61 HB3 LYS 8 1HB LYS 8 14.061 3.997 0.665
62 HG2 LYS 8 2HG LYS 8 14.570 1.637 1.041
63 HG3 LYS 8 1HG LYS 8 13.678 1.209 -0.414
64 HD2 LYS 8 2HD LYS 8 16.081 1.239 -0.851
65 HD3 LYS 8 1HD LYS 8 15.267 2.503 -1.766
66 HE2 LYS 8 2HE LYS 8 17.365 3.302 -0.787
67 HE3 LYS 8 1HE LYS 8 15.980 4.169 -0.139
68 HZ1 LYS 8 3HZ LYS 8 17.503 1.995 1.212
69 HZ2 LYS 8 1HZ LYS 8 16.122 2.713 1.858
70 HZ3 LYS 8 2HZ LYS 8 17.505 3.624 1.620
71 H VAL 9 H VAL 9 12.613 5.052 2.482
72 HA VAL 9 HA VAL 9 10.075 6.324 2.257
73 HB VAL 9 HB VAL 9 12.672 7.424 3.362
74 HG11 VAL 9 1HG1 VAL 9 11.236 8.944 4.640
75 HG12 VAL 9 2HG1 VAL 9 9.823 8.295 3.806
76 HG13 VAL 9 3HG1 VAL 9 11.058 9.170 2.899
77 HG21 VAL 9 3HG2 VAL 9 11.816 6.767 5.548
78 HG22 VAL 9 1HG2 VAL 9 12.037 5.374 4.492
79 HG23 VAL 9 2HG2 VAL 9 10.421 6.019 4.771
80 H VAL 10 H VAL 10 9.448 7.548 0.650
81 HA VAL 10 HA VAL 10 11.421 9.237 -0.642
82 HB VAL 10 HB VAL 10 10.309 8.968 -2.825
83 HG11 VAL 10 1HG1 VAL 10 11.130 6.745 -3.402
84 HG12 VAL 10 2HG1 VAL 10 11.189 6.321 -1.691
85 HG13 VAL 10 3HG1 VAL 10 12.254 7.575 -2.324
86 HG21 VAL 10 3HG2 VAL 10 8.711 7.173 -3.219
87 HG22 VAL 10 1HG2 VAL 10 8.081 8.344 -2.061
88 HG23 VAL 10 2HG2 VAL 10 8.702 6.792 -1.493
89 H THR 11 H THR 11 10.558 11.188 -1.434
90 HA THR 11 HA THR 11 8.394 12.129 0.213
91 HB THR 11 HB THR 11 10.108 13.565 -1.834
92 HG1 THR 11 1HG THR 11 10.832 12.587 0.417
93 HG21 THR 11 3HG2 THR 11 8.273 14.661 0.318
94 HG22 THR 11 1HG2 THR 11 7.985 14.743 -1.418
95 HG23 THR 11 2HG2 THR 11 9.334 15.630 -0.704
96 H CYS 12 H CYS 12 6.366 11.884 -0.476
97 HA CYS 12 HA CYS 12 5.642 11.400 -3.201
98 HB2 CYS 12 2HB CYS 12 3.864 12.172 -0.864
99 HB3 CYS 12 1HB CYS 12 3.384 11.326 -2.331
100 H HIS 13 H HIS 13 4.263 12.948 -4.439
101 HA HIS 13 HA HIS 13 5.336 15.606 -4.137
102 HB2 HIS 13 2HB HIS 13 4.830 14.354 -6.365
103 HB3 HIS 13 1HB HIS 13 3.172 14.873 -6.105
104 HD1 HIS 13 1HD HIS 13 2.644 17.073 -7.366
105 HD2 HIS 13 2HD HIS 13 6.648 16.744 -6.191
106 HE1 HIS 13 1HE HIS 13 3.788 19.103 -8.218
107 H ARG 14 H ARG 14 3.721 17.485 -4.446
108 HA ARG 14 HA ARG 14 2.247 17.726 -2.048
109 HB2 ARG 14 2HB ARG 14 1.967 19.421 -4.517
110 HB3 ARG 14 1HB ARG 14 1.531 19.873 -2.881
111 HG2 ARG 14 2HG ARG 14 3.871 19.822 -2.224
112 HG3 ARG 14 1HG ARG 14 4.324 19.324 -3.857
113 HD2 ARG 14 2HD ARG 14 3.009 21.915 -3.056
114 HD3 ARG 14 1HD ARG 14 4.665 21.703 -3.621
115 HE ARG 14 HE ARG 14 2.723 20.743 -5.487
116 HH11 ARG 14 1HH1 ARG 14 4.451 23.665 -4.452
117 HH12 ARG 14 2HH1 ARG 14 4.166 24.488 -5.902
118 HH21 ARG 14 1HH2 ARG 14 2.347 21.866 -7.438
119 HH22 ARG 14 2HH2 ARG 14 2.915 23.453 -7.654
120 H ASP 15 H ASP 15 1.376 16.683 -5.211
121 HA ASP 15 HA ASP 15 -1.438 17.061 -5.086
122 HB2 ASP 15 2HB ASP 15 0.205 15.090 -6.691
123 HB3 ASP 15 1HB ASP 15 -1.502 15.421 -6.944
124 H MET 16 H MET 16 0.776 14.680 -3.996
125 HA MET 16 HA MET 16 -1.230 12.709 -3.508
126 HB2 MET 16 2HB MET 16 1.745 12.754 -3.050
127 HB3 MET 16 1HB MET 16 0.731 11.429 -2.506
128 HG2 MET 16 2HG MET 16 1.696 10.823 -4.544
129 HG3 MET 16 1HG MET 16 -0.027 11.078 -4.767
130 HE1 MET 16 3HE MET 16 1.746 10.716 -7.104
131 HE2 MET 16 1HE MET 16 1.282 12.029 -8.214
132 HE3 MET 16 2HE MET 16 0.054 11.198 -7.236
133 H LYS 17 H LYS 17 -2.525 13.071 -1.960
134 HA LYS 17 HA LYS 17 -1.701 14.454 0.478
135 HB2 LYS 17 2HB LYS 17 -4.415 13.500 -0.424
136 HB3 LYS 17 1HB LYS 17 -4.083 14.537 0.953
137 HG2 LYS 17 2HG LYS 17 -3.351 16.306 -0.495
138 HG3 LYS 17 1HG LYS 17 -3.506 15.261 -1.909
139 HD2 LYS 17 2HD LYS 17 -5.912 15.056 -1.468
140 HD3 LYS 17 1HD LYS 17 -5.740 16.134 -0.086
141 HE2 LYS 17 2HE LYS 17 -5.045 17.941 -1.514
142 HE3 LYS 17 1HE LYS 17 -5.042 16.879 -2.923
143 HZ1 LYS 17 3HZ LYS 17 -7.398 16.671 -2.773
144 HZ2 LYS 17 1HZ LYS 17 -7.020 18.304 -2.749
145 HZ3 LYS 17 2HZ LYS 17 -7.471 17.498 -1.322
146 H PHE 18 H PHE 18 -2.105 11.325 -0.739
147 HA PHE 18 HA PHE 18 -2.362 10.228 1.969
148 HB2 PHE 18 2HB PHE 18 -3.719 9.174 -0.520
149 HB3 PHE 18 1HB PHE 18 -3.734 8.413 1.061
150 HD1 PHE 18 1HD PHE 18 -5.141 9.297 2.843
151 HD2 PHE 18 2HD PHE 18 -5.072 11.111 -1.010
152 HE1 PHE 18 1HE PHE 18 -7.216 10.500 3.371
153 HE2 PHE 18 2HE PHE 18 -7.141 12.318 -0.488
154 HZ PHE 18 HZ PHE 18 -8.223 12.016 1.705
155 H CYS 19 H CYS 19 -1.126 8.496 2.331
156 HA CYS 19 HA CYS 19 0.496 7.437 0.144
157 HB2 CYS 19 2HB CYS 19 0.871 7.200 3.152
158 HB3 CYS 19 1HB CYS 19 1.974 6.626 1.903
159 H TYR 20 H TYR 20 0.093 5.258 -0.325
160 HA TYR 20 HA TYR 20 -1.868 4.099 1.464
161 HB2 TYR 20 2HB TYR 20 -2.979 2.941 -0.360
162 HB3 TYR 20 1HB TYR 20 -2.993 4.673 -0.610
163 HD1 TYR 20 2HD TYR 20 -1.716 1.459 -1.806
164 HD2 TYR 20 1HD TYR 20 -1.817 5.636 -2.493
165 HE1 TYR 20 2HE TYR 20 -0.909 1.083 -4.069
166 HE2 TYR 20 1HE TYR 20 -1.015 5.274 -4.805
167 HH TYR 20 HH TYR 20 0.237 3.522 -6.089
168 H HIS 21 H HIS 21 -1.889 2.067 1.890
169 HA HIS 21 HA HIS 21 0.470 0.479 1.182
170 HB2 HIS 21 2HB HIS 21 0.619 1.286 3.532
171 HB3 HIS 21 1HB HIS 21 -0.969 0.640 3.851
172 HD1 HIS 21 1HD HIS 21 0.242 -0.681 5.832
173 HD2 HIS 21 2HD HIS 21 1.370 -1.821 1.996
174 HE1 HIS 21 1HE HIS 21 1.394 -2.876 6.085
175 H ASN 22 H ASN 22 -0.477 -0.784 -0.318
176 HA ASN 22 HA ASN 22 -3.010 -2.051 0.277
177 HB2 ASN 22 2HB ASN 22 -2.445 -1.363 -2.063
178 HB3 ASN 22 1HB ASN 22 -1.095 -2.495 -1.997
179 HD21 ASN 22 1HD2 ASN 22 -4.269 -3.147 -0.615
180 HD22 ASN 22 2HD2 ASN 22 -4.684 -4.382 -1.716
181 H THR 23 H THR 23 -3.055 -3.796 1.491
182 HA THR 23 HA THR 23 -0.643 -5.168 2.166
183 HB THR 23 HB THR 23 -2.277 -6.474 3.601
184 HG1 THR 23 1HG THR 23 -4.386 -5.535 3.716
185 HG21 THR 23 3HG2 THR 23 -2.711 -4.595 5.113
186 HG22 THR 23 1HG2 THR 23 -2.343 -3.465 3.816
187 HG23 THR 23 2HG2 THR 23 -1.068 -4.505 4.465
188 H GLY 24 H GLY 24 -3.224 -5.496 -0.034
189 HA2 GLY 24 2HA GLY 24 -3.736 -7.072 -1.630
190 HA3 GLY 24 1HA GLY 24 -2.168 -7.813 -1.296
191 H MET 25 H MET 25 -3.004 -9.926 -1.260
192 HA MET 25 HA MET 25 -4.570 -10.440 1.152
193 HB2 MET 25 2HB MET 25 -4.402 -12.063 -1.405
194 HB3 MET 25 1HB MET 25 -5.280 -12.553 0.039
195 HG2 MET 25 2HG MET 25 -5.844 -10.123 -1.628
196 HG3 MET 25 1HG MET 25 -6.763 -11.626 -1.644
197 HE1 MET 25 3HE MET 25 -9.086 -8.931 0.108
198 HE2 MET 25 1HE MET 25 -8.939 -10.041 -1.255
199 HE3 MET 25 2HE MET 25 -7.897 -8.624 -1.153
200 HA PRO 26 HA PRO 26 -1.008 -12.587 2.606
201 HB2 PRO 26 2HB PRO 26 -2.129 -14.825 3.773
202 HB3 PRO 26 1HB PRO 26 -2.034 -13.246 4.553
203 HG2 PRO 26 2HG PRO 26 -4.332 -14.526 3.141
204 HG3 PRO 26 1HG PRO 26 -4.329 -13.526 4.604
205 HD2 PRO 26 2HD PRO 26 -5.066 -12.552 2.198
206 HD3 PRO 26 1HD PRO 26 -4.235 -11.554 3.408
207 H PHE 27 H PHE 27 0.219 -13.386 1.063
208 HA PHE 27 HA PHE 27 -0.664 -15.829 -0.249
209 HB2 PHE 27 2HB PHE 27 1.161 -13.674 -1.299
210 HB3 PHE 27 1HB PHE 27 0.794 -15.177 -2.146
211 HD1 PHE 27 1HD PHE 27 -2.039 -15.465 -2.031
212 HD2 PHE 27 2HD PHE 27 0.237 -11.888 -2.352
213 HE1 PHE 27 1HE PHE 27 -3.936 -14.368 -3.122
214 HE2 PHE 27 2HE PHE 27 -1.662 -10.779 -3.437
215 HZ PHE 27 HZ PHE 27 -3.760 -12.021 -3.828
216 H ARG 28 H ARG 28 0.715 -17.471 -0.365
217 HA ARG 28 HA ARG 28 2.527 -17.766 1.753
218 HB2 ARG 28 2HB ARG 28 3.078 -19.970 0.691
219 HB3 ARG 28 1HB ARG 28 1.375 -19.706 1.011
220 HG2 ARG 28 2HG ARG 28 1.036 -19.157 -1.368
221 HG3 ARG 28 1HG ARG 28 2.745 -19.468 -1.669
222 HD2 ARG 28 2HD ARG 28 0.729 -21.445 -0.623
223 HD3 ARG 28 1HD ARG 28 1.371 -21.399 -2.265
224 HE ARG 28 HE ARG 28 3.606 -21.708 -1.081
225 HH11 ARG 28 1HH1 ARG 28 0.575 -23.182 0.008
226 HH12 ARG 28 2HH1 ARG 28 1.334 -24.490 0.775
227 HH21 ARG 28 1HH2 ARG 28 4.636 -23.526 -0.048
228 HH22 ARG 28 2HH2 ARG 28 3.685 -24.717 0.699
229 H ASN 29 H ASN 29 4.333 -16.752 1.915
230 HA ASN 29 HA ASN 29 6.373 -15.882 1.571
231 HB2 ASN 29 2HB ASN 29 6.540 -18.034 -0.539
232 HB3 ASN 29 1HB ASN 29 7.906 -17.035 -0.068
233 HD21 ASN 29 1HD2 ASN 29 7.055 -17.157 2.844
234 HD22 ASN 29 2HD2 ASN 29 7.482 -18.755 3.316
235 H LEU 30 H LEU 30 4.062 -14.890 0.055
236 HA LEU 30 HA LEU 30 5.579 -13.398 -1.928
237 HB2 LEU 30 2HB LEU 30 4.245 -14.882 -3.225
238 HB3 LEU 30 1HB LEU 30 2.826 -14.569 -2.250
239 HG LEU 30 HG LEU 30 2.815 -12.227 -3.107
240 HD11 LEU 30 1HD1 LEU 30 5.129 -11.978 -3.699
241 HD12 LEU 30 2HD1 LEU 30 4.103 -11.680 -5.102
242 HD13 LEU 30 3HD1 LEU 30 4.971 -13.210 -4.949
243 HD21 LEU 30 3HD2 LEU 30 1.386 -13.926 -4.093
244 HD22 LEU 30 1HD2 LEU 30 2.674 -14.367 -5.215
245 HD23 LEU 30 2HD2 LEU 30 1.930 -12.765 -5.298
246 H LYS 31 H LYS 31 5.703 -11.462 -1.223
247 HA LYS 31 HA LYS 31 3.537 -10.354 0.371
248 HB2 LYS 31 2HB LYS 31 6.250 -9.172 -0.247
249 HB3 LYS 31 1HB LYS 31 5.093 -8.577 0.930
250 HG2 LYS 31 2HG LYS 31 5.400 -10.665 2.225
251 HG3 LYS 31 1HG LYS 31 6.632 -11.159 1.061
252 HD2 LYS 31 2HD LYS 31 7.905 -9.121 1.588
253 HD3 LYS 31 1HD LYS 31 6.688 -8.697 2.792
254 HE2 LYS 31 2HE LYS 31 7.181 -10.813 3.975
255 HE3 LYS 31 1HE LYS 31 8.458 -11.135 2.802
256 HZ1 LYS 31 3HZ LYS 31 9.474 -8.994 3.495
257 HZ2 LYS 31 1HZ LYS 31 9.431 -10.115 4.748
258 HZ3 LYS 31 2HZ LYS 31 8.326 -8.850 4.681
259 H LEU 32 H LEU 32 2.003 -9.769 -1.116
260 HA LEU 32 HA LEU 32 2.808 -8.392 -3.515
261 HB2 LEU 32 2HB LEU 32 0.840 -9.856 -3.577
262 HB3 LEU 32 1HB LEU 32 0.051 -8.871 -2.356
263 HG LEU 32 HG LEU 32 0.134 -6.952 -3.963
264 HD11 LEU 32 1HD1 LEU 32 0.452 -7.443 -6.336
265 HD12 LEU 32 2HD1 LEU 32 0.973 -9.075 -5.919
266 HD13 LEU 32 3HD1 LEU 32 1.922 -7.684 -5.396
267 HD21 LEU 32 3HD2 LEU 32 -1.891 -8.277 -3.626
268 HD22 LEU 32 1HD2 LEU 32 -1.370 -9.382 -4.899
269 HD23 LEU 32 2HD2 LEU 32 -1.749 -7.702 -5.287
270 H ILE 33 H ILE 33 3.538 -6.435 -3.271
271 HA ILE 33 HA ILE 33 2.216 -4.752 -1.309
272 HB ILE 33 HB ILE 33 5.129 -5.036 -1.942
273 HG12 ILE 33 2HG1 ILE 33 4.211 -6.389 -0.141
274 HG13 ILE 33 1HG1 ILE 33 5.320 -5.176 0.495
275 HG21 ILE 33 1HG2 ILE 33 4.717 -2.652 -2.107
276 HG22 ILE 33 2HG2 ILE 33 5.625 -3.031 -0.640
277 HG23 ILE 33 3HG2 ILE 33 3.902 -2.673 -0.542
278 HD11 ILE 33 3HD1 ILE 33 2.302 -5.126 0.618
279 HD12 ILE 33 1HD1 ILE 33 3.348 -3.768 1.042
280 HD13 ILE 33 2HD1 ILE 33 3.443 -5.275 1.951
281 H LEU 34 H LEU 34 1.092 -3.261 -2.082
282 HA LEU 34 HA LEU 34 2.266 -1.671 -4.199
283 HB2 LEU 34 2HB LEU 34 -0.722 -2.158 -3.849
284 HB3 LEU 34 1HB LEU 34 -0.049 -0.906 -4.854
285 HG LEU 34 HG LEU 34 1.047 -2.758 -6.206
286 HD11 LEU 34 1HD1 LEU 34 -0.888 -4.481 -4.679
287 HD12 LEU 34 2HD1 LEU 34 0.870 -4.564 -4.601
288 HD13 LEU 34 3HD1 LEU 34 0.034 -4.967 -6.102
289 HD21 LEU 34 3HD2 LEU 34 -0.880 -1.521 -6.991
290 HD22 LEU 34 1HD2 LEU 34 -1.958 -2.595 -6.101
291 HD23 LEU 34 2HD2 LEU 34 -1.011 -3.218 -7.452
292 H GLN 35 H GLN 35 3.305 -0.693 -2.485
293 HA GLN 35 HA GLN 35 1.665 1.128 -0.910
294 HB2 GLN 35 2HB GLN 35 4.578 0.360 -0.829
295 HB3 GLN 35 1HB GLN 35 3.917 1.683 0.118
296 HG2 GLN 35 2HG GLN 35 2.551 0.218 1.354
297 HG3 GLN 35 1HG GLN 35 2.897 -1.132 0.281
298 HE21 GLN 35 1HE2 GLN 35 5.405 1.092 1.343
299 HE22 GLN 35 2HE2 GLN 35 6.162 -0.046 2.394
300 H GLY 36 H GLY 36 1.282 3.051 -1.805
301 HA2 GLY 36 2HA GLY 36 3.452 4.308 -3.253
302 HA3 GLY 36 1HA GLY 36 1.941 4.070 -4.138
303 H CYS 37 H CYS 37 2.362 6.493 -4.183
304 HA CYS 37 HA CYS 37 1.035 7.652 -1.850
305 HB2 CYS 37 2HB CYS 37 2.665 9.140 -3.935
306 HB3 CYS 37 1HB CYS 37 2.101 9.727 -2.379
307 H SER 38 H SER 38 -0.868 8.797 -2.299
308 HA SER 38 HA SER 38 -1.738 8.782 -5.095
309 HB2 SER 38 2HB SER 38 -2.619 6.770 -3.923
310 HB3 SER 38 1HB SER 38 -3.410 7.820 -2.748
311 HG SER 38 HG SER 38 -4.977 7.945 -4.089
312 H SER 39 H SER 39 -3.390 10.319 -5.540
313 HA SER 39 HA SER 39 -3.167 12.695 -3.911
314 HB2 SER 39 2HB SER 39 -2.978 12.805 -6.393
315 HB3 SER 39 1HB SER 39 -4.638 12.248 -6.537
316 HG SER 39 HG SER 39 -3.764 14.568 -5.186
317 H SER 40 H SER 40 -5.670 10.495 -5.058
318 HA SER 40 HA SER 40 -7.430 11.515 -2.960
319 HB2 SER 40 2HB SER 40 -8.117 10.153 -5.587
320 HB3 SER 40 1HB SER 40 -9.285 10.759 -4.416
321 HG SER 40 HG SER 40 -7.863 12.813 -4.790
322 H CYS 41 H CYS 41 -9.144 9.427 -2.579
323 HA CYS 41 HA CYS 41 -7.484 7.048 -2.317
324 HB2 CYS 41 2HB CYS 41 -7.140 8.002 -0.185
325 HB3 CYS 41 1HB CYS 41 -8.833 8.463 -0.030
326 H SER 42 H SER 42 -8.537 5.311 -2.957
327 HA SER 42 HA SER 42 -11.431 5.230 -2.866
328 HB2 SER 42 2HB SER 42 -9.424 3.107 -3.717
329 HB3 SER 42 1HB SER 42 -11.161 3.099 -4.046
330 HG SER 42 HG SER 42 -10.034 5.395 -4.852
331 H GLU 43 H GLU 43 -12.113 4.960 -0.810
332 HA GLU 43 HA GLU 43 -10.388 4.001 1.202
333 HB2 GLU 43 2HB GLU 43 -12.268 4.271 2.764
334 HB3 GLU 43 1HB GLU 43 -11.976 5.700 1.788
335 HG2 GLU 43 2HG GLU 43 -13.864 5.199 0.408
336 HG3 GLU 43 1HG GLU 43 -14.084 3.652 1.230
337 H THR 44 H THR 44 -9.898 2.119 1.709
338 HA THR 44 HA THR 44 -11.835 0.012 1.903
339 HB THR 44 HB THR 44 -9.952 -1.467 0.790
340 HG1 THR 44 1HG THR 44 -9.568 1.057 -0.434
341 HG21 THR 44 3HG2 THR 44 -11.077 -1.327 -1.387
342 HG22 THR 44 1HG2 THR 44 -11.834 0.190 -0.899
343 HG23 THR 44 2HG2 THR 44 -12.249 -1.311 -0.070
344 H GLU 45 H GLU 45 -10.696 -1.886 2.989
345 HA GLU 45 HA GLU 45 -8.839 -0.828 4.968
346 HB2 GLU 45 2HB GLU 45 -10.446 -3.381 4.853
347 HB3 GLU 45 1HB GLU 45 -9.390 -2.922 6.187
348 HG2 GLU 45 2HG GLU 45 -10.732 -1.043 6.716
349 HG3 GLU 45 1HG GLU 45 -11.687 -1.230 5.253
350 H ASN 46 H ASN 46 -8.993 -2.769 2.214
351 HA ASN 46 HA ASN 46 -6.579 -4.288 2.706
352 HB2 ASN 46 2HB ASN 46 -8.538 -5.090 1.324
353 HB3 ASN 46 1HB ASN 46 -8.071 -3.910 0.102
354 HD21 ASN 46 1HD2 ASN 46 -7.274 -6.836 1.697
355 HD22 ASN 46 2HD2 ASN 46 -6.060 -7.385 0.609
356 H ASN 47 H ASN 47 -7.537 -1.309 1.187
357 HA ASN 47 HA ASN 47 -4.755 -0.784 0.561
358 HB2 ASN 47 2HB ASN 47 -5.972 -0.846 -1.474
359 HB3 ASN 47 1HB ASN 47 -7.279 0.149 -0.832
360 HD21 ASN 47 1HD2 ASN 47 -6.965 2.359 -0.702
361 HD22 ASN 47 2HD2 ASN 47 -5.683 3.165 -1.528
362 H LYS 48 H LYS 48 -4.177 0.078 2.327
363 HA LYS 48 HA LYS 48 -5.812 1.791 3.959
364 HB2 LYS 48 2HB LYS 48 -4.237 0.238 4.964
365 HB3 LYS 48 1HB LYS 48 -2.917 0.992 4.094
366 HG2 LYS 48 2HG LYS 48 -3.454 3.115 5.351
367 HG3 LYS 48 1HG LYS 48 -4.526 2.136 6.357
368 HD2 LYS 48 2HD LYS 48 -2.654 0.697 6.965
369 HD3 LYS 48 1HD LYS 48 -1.580 1.646 5.939
370 HE2 LYS 48 2HE LYS 48 -2.090 3.635 7.330
371 HE3 LYS 48 1HE LYS 48 -3.040 2.597 8.395
372 HZ1 LYS 48 3HZ LYS 48 -0.114 2.421 7.892
373 HZ2 LYS 48 1HZ LYS 48 -1.007 1.274 8.746
374 HZ3 LYS 48 2HZ LYS 48 -0.884 2.836 9.320
375 H CYS 49 H CYS 49 -6.149 3.825 3.114
376 HA CYS 49 HA CYS 49 -3.775 5.206 2.143
377 HB2 CYS 49 2HB CYS 49 -5.314 6.946 1.315
378 HB3 CYS 49 1HB CYS 49 -5.747 5.369 0.673
379 H CYS 50 H CYS 50 -2.729 6.417 3.500
380 HA CYS 50 HA CYS 50 -4.188 7.592 5.718
381 HB2 CYS 50 2HB CYS 50 -2.040 7.077 7.050
382 HB3 CYS 50 1HB CYS 50 -3.157 5.749 6.734
383 H SER 51 H SER 51 -3.061 9.486 6.612
384 HA SER 51 HA SER 51 -1.658 10.848 4.429
385 HB2 SER 51 2HB SER 51 -2.783 12.899 5.531
386 HB3 SER 51 1HB SER 51 -3.768 11.813 4.545
387 HG SER 51 HG SER 51 -4.626 10.930 6.329
388 H THR 52 H THR 52 -0.554 9.396 6.850
389 HA THR 52 HA THR 52 0.850 11.665 8.086
390 HB THR 52 HB THR 52 0.767 8.897 9.220
391 HG1 THR 52 1HG THR 52 -1.212 10.947 9.272
392 HG21 THR 52 3HG2 THR 52 0.964 11.631 10.496
393 HG22 THR 52 1HG2 THR 52 2.308 10.529 10.192
394 HG23 THR 52 2HG2 THR 52 1.050 10.088 11.348
395 H ASP 53 H ASP 53 3.128 11.367 8.399
396 HA ASP 53 HA ASP 53 4.418 10.236 6.124
397 HB2 ASP 53 2HB ASP 53 5.714 11.219 8.679
398 HB3 ASP 53 1HB ASP 53 6.570 10.785 7.213
399 H ARG 54 H ARG 54 5.434 8.448 5.809
400 HA ARG 54 HA ARG 54 5.994 6.306 5.954
401 HB2 ARG 54 2HB ARG 54 6.747 7.138 8.754
402 HB3 ARG 54 1HB ARG 54 7.038 5.517 8.154
403 HG2 ARG 54 2HG ARG 54 8.438 6.538 6.393
404 HG3 ARG 54 1HG ARG 54 8.215 8.094 7.211
405 HD2 ARG 54 2HD ARG 54 9.110 7.202 9.261
406 HD3 ARG 54 1HD ARG 54 9.245 5.601 8.539
407 HE ARG 54 HE ARG 54 10.664 7.773 7.315
408 HH11 ARG 54 1HH1 ARG 54 10.821 4.948 9.448
409 HH12 ARG 54 2HH1 ARG 54 12.507 4.737 9.315
410 HH21 ARG 54 1HH2 ARG 54 13.067 7.438 7.114
411 HH22 ARG 54 2HH2 ARG 54 13.776 6.139 7.935
412 H CYS 55 H CYS 55 3.129 7.048 6.741
413 HA CYS 55 HA CYS 55 2.359 5.199 8.754
414 HB2 CYS 55 2HB CYS 55 0.085 5.668 8.014
415 HB3 CYS 55 1HB CYS 55 1.020 7.157 8.149
416 H ASN 56 H ASN 56 3.146 4.802 5.447
417 HA ASN 56 HA ASN 56 1.603 2.391 5.308
418 HB2 ASN 56 2HB ASN 56 2.165 2.269 2.909
419 HB3 ASN 56 1HB ASN 56 1.477 3.831 3.322
420 HD21 ASN 56 1HD2 ASN 56 2.820 3.234 1.037
421 HD22 ASN 56 2HD2 ASN 56 4.322 4.089 0.965
422 H LYS 57 H LYS 57 2.832 1.551 7.034
423 HA LYS 57 HA LYS 57 5.078 0.017 6.064
424 HB2 LYS 57 2HB LYS 57 6.254 0.348 8.222
425 HB3 LYS 57 1HB LYS 57 6.070 1.831 7.291
426 HG2 LYS 57 2HG LYS 57 4.318 2.588 8.737
427 HG3 LYS 57 1HG LYS 57 4.313 1.045 9.594
428 HD2 LYS 57 2HD LYS 57 6.579 1.456 10.383
429 HD3 LYS 57 1HD LYS 57 6.631 2.972 9.482
430 HE2 LYS 57 2HE LYS 57 6.162 3.313 11.876
431 HE3 LYS 57 1HE LYS 57 4.856 3.884 10.841
432 HZ1 LYS 57 3HZ LYS 57 4.866 1.266 12.254
433 HZ2 LYS 57 1HZ LYS 57 3.609 1.911 11.345
434 HZ3 LYS 57 2HZ LYS 57 4.056 2.652 12.784
Start of MODEL 4
1 H1 LEU 1 1HT LEU 1 3.189 15.187 1.976
2 H2 LEU 1 2HT LEU 1 3.809 14.421 0.607
3 H3 LEU 1 3HT LEU 1 4.827 15.227 1.639
4 HA LEU 1 HA LEU 1 4.445 13.670 3.381
5 HB2 LEU 1 2HB LEU 1 2.558 12.455 1.400
6 HB3 LEU 1 1HB LEU 1 3.306 11.493 2.649
7 HG LEU 1 HG LEU 1 1.346 13.765 3.034
8 HD11 LEU 1 2HD1 LEU 1 -0.001 12.011 4.021
9 HD12 LEU 1 3HD1 LEU 1 1.266 10.838 3.649
10 HD13 LEU 1 1HD1 LEU 1 0.407 11.646 2.340
11 HD21 LEU 1 1HD2 LEU 1 1.558 13.225 5.434
12 HD22 LEU 1 2HD2 LEU 1 3.042 13.901 4.767
13 HD23 LEU 1 3HD2 LEU 1 2.919 12.166 5.046
14 H LYS 2 H LYS 2 5.978 12.272 3.647
15 HA LYS 2 HA LYS 2 7.096 11.107 1.263
16 HB2 LYS 2 2HB LYS 2 9.200 10.775 2.713
17 HB3 LYS 2 1HB LYS 2 8.831 12.403 2.189
18 HG2 LYS 2 2HG LYS 2 7.825 12.823 4.447
19 HG3 LYS 2 1HG LYS 2 8.416 11.229 4.938
20 HD2 LYS 2 2HD LYS 2 10.684 11.873 4.540
21 HD3 LYS 2 1HD LYS 2 10.183 13.387 3.799
22 HE2 LYS 2 2HE LYS 2 10.982 13.874 6.004
23 HE3 LYS 2 1HE LYS 2 9.238 14.076 5.997
24 HZ1 LYS 2 3HZ LYS 2 10.668 11.685 7.042
25 HZ2 LYS 2 1HZ LYS 2 9.000 11.962 7.181
26 HZ3 LYS 2 2HZ LYS 2 10.089 12.945 7.965
27 H CYS 3 H CYS 3 6.644 9.031 0.972
28 HA CYS 3 HA CYS 3 5.841 7.480 3.355
29 HB2 CYS 3 2HB CYS 3 4.529 7.146 0.651
30 HB3 CYS 3 1HB CYS 3 3.974 6.588 2.237
31 H PHE 4 H PHE 4 5.855 5.056 2.897
32 HA PHE 4 HA PHE 4 8.417 4.460 1.664
33 HB2 PHE 4 2HB PHE 4 6.493 2.617 3.098
34 HB3 PHE 4 1HB PHE 4 8.102 2.196 2.554
35 HD1 PHE 4 2HD PHE 4 10.051 3.525 3.623
36 HD2 PHE 4 1HD PHE 4 6.130 3.350 5.228
37 HE1 PHE 4 2HE PHE 4 10.935 4.112 5.830
38 HE2 PHE 4 1HE PHE 4 7.000 3.932 7.441
39 HZ PHE 4 HZ PHE 4 9.407 4.311 7.756
40 H GLN 5 H GLN 5 7.719 4.836 -0.527
41 HA GLN 5 HA GLN 5 5.589 3.249 -1.652
42 HB2 GLN 5 2HB GLN 5 6.344 5.296 -2.793
43 HB3 GLN 5 1HB GLN 5 7.893 4.536 -3.140
44 HG2 GLN 5 2HG GLN 5 6.713 2.823 -4.474
45 HG3 GLN 5 1HG GLN 5 5.200 3.664 -4.196
46 HE21 GLN 5 1HE2 GLN 5 6.521 6.304 -4.452
47 HE22 GLN 5 2HE2 GLN 5 6.825 6.505 -6.124
48 H HIS 6 H HIS 6 9.050 2.857 -1.535
49 HA HIS 6 HA HIS 6 8.787 0.191 -2.795
50 HB2 HIS 6 2HB HIS 6 11.299 1.814 -2.311
51 HB3 HIS 6 1HB HIS 6 11.186 0.310 -3.210
52 HD1 HIS 6 1HD HIS 6 9.650 0.544 -5.518
53 HD2 HIS 6 2HD HIS 6 11.095 4.035 -3.788
54 HE1 HIS 6 1HE HIS 6 9.484 2.327 -7.290
55 H GLY 7 H GLY 7 8.514 1.318 0.094
56 HA2 GLY 7 2HA GLY 7 8.828 0.175 2.168
57 HA3 GLY 7 1HA GLY 7 10.154 -0.733 1.428
58 H LYS 8 H LYS 8 10.812 1.883 0.171
59 HA LYS 8 HA LYS 8 12.501 3.028 2.267
60 HB2 LYS 8 2HB LYS 8 12.623 3.250 -0.750
61 HB3 LYS 8 1HB LYS 8 13.777 3.953 0.373
62 HG2 LYS 8 2HG LYS 8 14.478 1.778 1.091
63 HG3 LYS 8 1HG LYS 8 13.235 1.017 0.093
64 HD2 LYS 8 2HD LYS 8 14.308 1.898 -1.902
65 HD3 LYS 8 1HD LYS 8 15.542 2.673 -0.909
66 HE2 LYS 8 2HE LYS 8 15.016 -0.294 -1.042
67 HE3 LYS 8 1HE LYS 8 16.317 0.545 -1.883
68 HZ1 LYS 8 3HZ LYS 8 17.144 -0.430 0.135
69 HZ2 LYS 8 1HZ LYS 8 15.997 0.375 1.082
70 HZ3 LYS 8 2HZ LYS 8 17.201 1.225 0.259
71 H VAL 9 H VAL 9 12.505 5.302 2.435
72 HA VAL 9 HA VAL 9 9.929 6.491 2.118
73 HB VAL 9 HB VAL 9 12.540 7.758 2.985
74 HG11 VAL 9 1HG1 VAL 9 11.132 9.454 4.051
75 HG12 VAL 9 2HG1 VAL 9 9.700 8.688 3.363
76 HG13 VAL 9 3HG1 VAL 9 10.906 9.419 2.302
77 HG21 VAL 9 3HG2 VAL 9 11.649 7.454 5.265
78 HG22 VAL 9 1HG2 VAL 9 11.988 5.929 4.437
79 HG23 VAL 9 2HG2 VAL 9 10.331 6.505 4.580
80 H VAL 10 H VAL 10 9.215 7.492 0.374
81 HA VAL 10 HA VAL 10 11.172 8.812 -1.345
82 HB VAL 10 HB VAL 10 9.789 8.377 -3.283
83 HG11 VAL 10 1HG1 VAL 10 10.249 5.832 -1.753
84 HG12 VAL 10 2HG1 VAL 10 11.412 6.677 -2.774
85 HG13 VAL 10 3HG1 VAL 10 9.973 5.951 -3.492
86 HG21 VAL 10 3HG2 VAL 10 7.584 8.443 -2.245
87 HG22 VAL 10 1HG2 VAL 10 7.901 6.903 -1.442
88 HG23 VAL 10 2HG2 VAL 10 7.777 6.975 -3.202
89 H THR 11 H THR 11 10.483 10.778 -2.236
90 HA THR 11 HA THR 11 8.621 12.187 -0.570
91 HB THR 11 HB THR 11 10.283 13.100 -2.936
92 HG1 THR 11 1HG THR 11 10.687 13.307 -0.125
93 HG21 THR 11 3HG2 THR 11 9.862 15.372 -2.078
94 HG22 THR 11 1HG2 THR 11 8.841 14.705 -0.804
95 HG23 THR 11 2HG2 THR 11 8.347 14.571 -2.489
96 H CYS 12 H CYS 12 6.525 12.016 -1.035
97 HA CYS 12 HA CYS 12 5.586 11.414 -3.697
98 HB2 CYS 12 2HB CYS 12 4.004 12.197 -1.250
99 HB3 CYS 12 1HB CYS 12 3.473 11.252 -2.640
100 H HIS 13 H HIS 13 4.482 12.973 -5.004
101 HA HIS 13 HA HIS 13 5.384 15.619 -4.660
102 HB2 HIS 13 2HB HIS 13 4.812 14.473 -6.860
103 HB3 HIS 13 1HB HIS 13 3.120 14.766 -6.478
104 HD1 HIS 13 1HD HIS 13 2.246 16.902 -7.600
105 HD2 HIS 13 2HD HIS 13 6.324 17.040 -6.757
106 HE1 HIS 13 1HE HIS 13 3.048 19.105 -8.414
107 H ARG 14 H ARG 14 3.772 17.501 -4.823
108 HA ARG 14 HA ARG 14 2.477 17.732 -2.341
109 HB2 ARG 14 2HB ARG 14 2.359 19.500 -4.768
110 HB3 ARG 14 1HB ARG 14 1.723 19.932 -3.187
111 HG2 ARG 14 2HG ARG 14 3.972 19.766 -2.238
112 HG3 ARG 14 1HG ARG 14 4.596 19.318 -3.824
113 HD2 ARG 14 2HD ARG 14 4.959 21.700 -3.299
114 HD3 ARG 14 1HD ARG 14 3.976 21.462 -4.737
115 HE ARG 14 HE ARG 14 2.073 21.761 -2.963
116 HH11 ARG 14 1HH1 ARG 14 5.103 23.630 -3.097
117 HH12 ARG 14 2HH1 ARG 14 4.355 25.054 -2.529
118 HH21 ARG 14 1HH2 ARG 14 1.105 23.743 -2.265
119 HH22 ARG 14 2HH2 ARG 14 2.086 25.123 -2.069
120 H ASP 15 H ASP 15 1.321 16.352 -5.165
121 HA ASP 15 HA ASP 15 -1.468 17.029 -4.769
122 HB2 ASP 15 2HB ASP 15 -0.228 14.883 -6.506
123 HB3 ASP 15 1HB ASP 15 -1.910 15.392 -6.544
124 H MET 16 H MET 16 0.791 14.628 -3.837
125 HA MET 16 HA MET 16 -1.189 12.694 -3.121
126 HB2 MET 16 2HB MET 16 1.811 12.693 -2.920
127 HB3 MET 16 1HB MET 16 0.828 11.394 -2.270
128 HG2 MET 16 2HG MET 16 1.576 10.717 -4.345
129 HG3 MET 16 1HG MET 16 -0.140 11.057 -4.462
130 HE1 MET 16 3HE MET 16 0.945 11.929 -8.012
131 HE2 MET 16 1HE MET 16 -0.248 11.171 -6.937
132 HE3 MET 16 2HE MET 16 1.417 10.596 -6.928
133 H LYS 17 H LYS 17 -2.376 13.189 -1.496
134 HA LYS 17 HA LYS 17 -1.196 14.458 0.850
135 HB2 LYS 17 2HB LYS 17 -4.083 13.956 0.144
136 HB3 LYS 17 1HB LYS 17 -3.506 14.894 1.511
137 HG2 LYS 17 2HG LYS 17 -2.478 16.493 -0.051
138 HG3 LYS 17 1HG LYS 17 -3.121 15.559 -1.401
139 HD2 LYS 17 2HD LYS 17 -5.403 15.961 -0.544
140 HD3 LYS 17 1HD LYS 17 -4.715 16.952 0.745
141 HE2 LYS 17 2HE LYS 17 -3.713 18.418 -0.985
142 HE3 LYS 17 1HE LYS 17 -4.527 17.467 -2.217
143 HZ1 LYS 17 3HZ LYS 17 -5.775 19.461 -1.691
144 HZ2 LYS 17 1HZ LYS 17 -5.886 18.997 -0.066
145 HZ3 LYS 17 2HZ LYS 17 -6.651 18.097 -1.261
146 H PHE 18 H PHE 18 -1.863 11.392 -0.270
147 HA PHE 18 HA PHE 18 -2.077 10.350 2.461
148 HB2 PHE 18 2HB PHE 18 -3.617 9.337 0.060
149 HB3 PHE 18 1HB PHE 18 -3.582 8.587 1.645
150 HD1 PHE 18 1HD PHE 18 -4.863 11.368 -0.354
151 HD2 PHE 18 2HD PHE 18 -4.857 9.515 3.477
152 HE1 PHE 18 1HE PHE 18 -6.804 12.690 0.268
153 HE2 PHE 18 2HE PHE 18 -6.821 10.849 4.117
154 HZ PHE 18 HZ PHE 18 -7.801 12.439 2.516
155 H CYS 19 H CYS 19 -0.979 8.451 2.765
156 HA CYS 19 HA CYS 19 0.691 7.498 0.557
157 HB2 CYS 19 2HB CYS 19 0.650 6.548 3.441
158 HB3 CYS 19 1HB CYS 19 1.911 6.306 2.242
159 H TYR 20 H TYR 20 0.163 5.370 -0.270
160 HA TYR 20 HA TYR 20 -2.098 4.209 1.145
161 HB2 TYR 20 2HB TYR 20 -3.009 3.223 -0.872
162 HB3 TYR 20 1HB TYR 20 -2.848 4.952 -1.075
163 HD1 TYR 20 2HD TYR 20 -1.595 1.642 -2.153
164 HD2 TYR 20 1HD TYR 20 -1.396 5.835 -2.753
165 HE1 TYR 20 2HE TYR 20 -0.496 1.261 -4.290
166 HE2 TYR 20 1HE TYR 20 -0.321 5.496 -4.898
167 HH TYR 20 HH TYR 20 -0.261 2.524 -6.438
168 H HIS 21 H HIS 21 -2.295 2.105 1.376
169 HA HIS 21 HA HIS 21 0.143 0.546 0.967
170 HB2 HIS 21 2HB HIS 21 -0.097 1.259 3.348
171 HB3 HIS 21 1HB HIS 21 -1.688 0.500 3.393
172 HD1 HIS 21 1HD HIS 21 -0.456 -0.826 5.471
173 HD2 HIS 21 2HD HIS 21 0.850 -1.714 1.632
174 HE1 HIS 21 1HE HIS 21 0.790 -3.016 5.641
175 H ASN 22 H ASN 22 -0.595 -0.634 -0.746
176 HA ASN 22 HA ASN 22 -3.119 -2.026 -0.410
177 HB2 ASN 22 2HB ASN 22 -2.855 -0.891 -2.542
178 HB3 ASN 22 1HB ASN 22 -1.302 -1.660 -2.807
179 HD21 ASN 22 1HD2 ASN 22 -4.674 -1.998 -2.873
180 HD22 ASN 22 2HD2 ASN 22 -4.785 -3.530 -3.654
181 H THR 23 H THR 23 -2.996 -3.875 0.503
182 HA THR 23 HA THR 23 -0.487 -5.202 0.837
183 HB THR 23 HB THR 23 -1.948 -6.871 2.084
184 HG1 THR 23 1HG THR 23 -3.971 -6.669 1.456
185 HG21 THR 23 3HG2 THR 23 -2.375 -5.351 3.962
186 HG22 THR 23 1HG2 THR 23 -2.182 -3.967 2.889
187 HG23 THR 23 2HG2 THR 23 -0.805 -5.011 3.233
188 H GLY 24 H GLY 24 -3.278 -5.434 -1.172
189 HA2 GLY 24 2HA GLY 24 -3.704 -6.597 -3.042
190 HA3 GLY 24 1HA GLY 24 -2.007 -7.055 -3.078
191 H MET 25 H MET 25 -2.318 -9.122 -3.621
192 HA MET 25 HA MET 25 -4.094 -10.777 -2.037
193 HB2 MET 25 2HB MET 25 -2.509 -11.319 -4.550
194 HB3 MET 25 1HB MET 25 -3.423 -12.560 -3.705
195 HG2 MET 25 2HG MET 25 -5.486 -11.379 -4.094
196 HG3 MET 25 1HG MET 25 -4.610 -10.025 -4.797
197 HE1 MET 25 3HE MET 25 -3.374 -11.438 -8.202
198 HE2 MET 25 1HE MET 25 -2.476 -11.286 -6.692
199 HE3 MET 25 2HE MET 25 -3.567 -10.003 -7.199
200 HA PRO 26 HA PRO 26 -0.702 -12.219 0.414
201 HB2 PRO 26 2HB PRO 26 -1.890 -14.396 1.502
202 HB3 PRO 26 1HB PRO 26 -2.286 -12.751 2.020
203 HG2 PRO 26 2HG PRO 26 -3.735 -14.548 0.127
204 HG3 PRO 26 1HG PRO 26 -4.407 -13.503 1.399
205 HD2 PRO 26 2HD PRO 26 -4.367 -12.839 -1.238
206 HD3 PRO 26 1HD PRO 26 -4.272 -11.626 0.065
207 H PHE 27 H PHE 27 0.961 -13.245 -0.331
208 HA PHE 27 HA PHE 27 0.587 -15.726 -1.833
209 HB2 PHE 27 2HB PHE 27 2.484 -13.467 -2.409
210 HB3 PHE 27 1HB PHE 27 2.670 -15.070 -3.125
211 HD1 PHE 27 1HD PHE 27 0.359 -15.920 -4.217
212 HD2 PHE 27 2HD PHE 27 1.505 -11.862 -3.685
213 HE1 PHE 27 1HE PHE 27 -1.107 -15.266 -6.054
214 HE2 PHE 27 2HE PHE 27 0.019 -11.208 -5.544
215 HZ PHE 27 HZ PHE 27 -1.286 -12.925 -6.726
216 H ARG 28 H ARG 28 2.073 -17.323 -1.513
217 HA ARG 28 HA ARG 28 3.123 -17.395 1.123
218 HB2 ARG 28 2HB ARG 28 3.331 -19.354 -1.152
219 HB3 ARG 28 1HB ARG 28 3.869 -19.678 0.487
220 HG2 ARG 28 2HG ARG 28 1.606 -19.371 1.307
221 HG3 ARG 28 1HG ARG 28 1.046 -19.023 -0.329
222 HD2 ARG 28 2HD ARG 28 2.299 -21.601 0.600
223 HD3 ARG 28 1HD ARG 28 0.579 -21.329 0.336
224 HE ARG 28 HE ARG 28 1.618 -20.660 -2.024
225 HH11 ARG 28 1HH1 ARG 28 2.106 -23.524 0.009
226 HH12 ARG 28 2HH1 ARG 28 2.346 -24.584 -1.298
227 HH21 ARG 28 1HH2 ARG 28 1.931 -22.139 -3.815
228 HH22 ARG 28 2HH2 ARG 28 2.276 -23.783 -3.507
229 H ASN 29 H ASN 29 4.881 -16.516 1.727
230 HA ASN 29 HA ASN 29 7.030 -15.883 1.968
231 HB2 ASN 29 2HB ASN 29 7.490 -18.303 1.291
232 HB3 ASN 29 1HB ASN 29 7.734 -17.720 -0.350
233 HD21 ASN 29 1HD2 ASN 29 9.883 -18.358 -0.408
234 HD22 ASN 29 2HD2 ASN 29 11.126 -17.568 0.459
235 H LEU 30 H LEU 30 5.185 -14.565 0.137
236 HA LEU 30 HA LEU 30 7.185 -13.080 -1.382
237 HB2 LEU 30 2HB LEU 30 5.861 -14.608 -2.851
238 HB3 LEU 30 1HB LEU 30 4.405 -13.820 -2.322
239 HG LEU 30 HG LEU 30 5.086 -13.198 -4.603
240 HD11 LEU 30 1HD1 LEU 30 4.892 -10.792 -4.476
241 HD12 LEU 30 2HD1 LEU 30 5.148 -10.873 -2.733
242 HD13 LEU 30 3HD1 LEU 30 3.725 -11.627 -3.453
243 HD21 LEU 30 3HD2 LEU 30 7.492 -11.956 -3.309
244 HD22 LEU 30 1HD2 LEU 30 7.019 -11.761 -4.995
245 HD23 LEU 30 2HD2 LEU 30 7.484 -13.352 -4.389
246 H LYS 31 H LYS 31 7.107 -11.011 -0.975
247 HA LYS 31 HA LYS 31 4.891 -9.990 0.645
248 HB2 LYS 31 2HB LYS 31 7.692 -8.908 0.296
249 HB3 LYS 31 1HB LYS 31 6.427 -8.104 1.211
250 HG2 LYS 31 2HG LYS 31 6.327 -10.038 2.720
251 HG3 LYS 31 1HG LYS 31 7.642 -10.787 1.817
252 HD2 LYS 31 2HD LYS 31 9.113 -8.932 2.379
253 HD3 LYS 31 1HD LYS 31 7.794 -8.125 3.226
254 HE2 LYS 31 2HE LYS 31 8.955 -10.810 3.965
255 HE3 LYS 31 1HE LYS 31 9.340 -9.285 4.759
256 HZ1 LYS 31 3HZ LYS 31 7.029 -9.084 5.422
257 HZ2 LYS 31 1HZ LYS 31 7.677 -10.527 5.982
258 HZ3 LYS 31 2HZ LYS 31 6.638 -10.535 4.660
259 H LEU 32 H LEU 32 3.447 -9.480 -0.863
260 HA LEU 32 HA LEU 32 4.149 -8.001 -3.206
261 HB2 LEU 32 2HB LEU 32 2.275 -9.626 -3.124
262 HB3 LEU 32 1HB LEU 32 1.435 -8.565 -2.012
263 HG LEU 32 HG LEU 32 1.339 -6.833 -3.761
264 HD11 LEU 32 1HD1 LEU 32 2.563 -8.973 -5.490
265 HD12 LEU 32 2HD1 LEU 32 3.297 -7.429 -5.049
266 HD13 LEU 32 3HD1 LEU 32 1.866 -7.465 -6.076
267 HD21 LEU 32 3HD2 LEU 32 -0.344 -7.934 -5.140
268 HD22 LEU 32 1HD2 LEU 32 -0.511 -8.389 -3.444
269 HD23 LEU 32 2HD2 LEU 32 0.234 -9.507 -4.582
270 H ILE 33 H ILE 33 4.716 -5.932 -3.026
271 HA ILE 33 HA ILE 33 3.355 -4.334 -1.009
272 HB ILE 33 HB ILE 33 6.206 -4.182 -2.003
273 HG12 ILE 33 2HG1 ILE 33 5.807 -5.774 -0.196
274 HG13 ILE 33 1HG1 ILE 33 6.776 -4.421 0.377
275 HG21 ILE 33 1HG2 ILE 33 6.548 -2.182 -0.640
276 HG22 ILE 33 2HG2 ILE 33 4.828 -2.139 -0.267
277 HG23 ILE 33 3HG2 ILE 33 5.373 -1.893 -1.926
278 HD11 ILE 33 3HD1 ILE 33 5.151 -4.986 2.056
279 HD12 ILE 33 1HD1 ILE 33 3.834 -4.872 0.880
280 HD13 ILE 33 2HD1 ILE 33 4.716 -3.429 1.335
281 H LEU 34 H LEU 34 1.745 -3.418 -2.098
282 HA LEU 34 HA LEU 34 2.601 -1.696 -4.284
283 HB2 LEU 34 2HB LEU 34 -0.087 -2.883 -3.693
284 HB3 LEU 34 1HB LEU 34 0.019 -1.390 -4.608
285 HG LEU 34 HG LEU 34 1.429 -2.704 -6.260
286 HD11 LEU 34 1HD1 LEU 34 0.341 -5.034 -4.714
287 HD12 LEU 34 2HD1 LEU 34 2.035 -4.557 -4.829
288 HD13 LEU 34 3HD1 LEU 34 1.175 -5.114 -6.266
289 HD21 LEU 34 3HD2 LEU 34 -0.537 -3.679 -7.327
290 HD22 LEU 34 1HD2 LEU 34 -0.871 -2.081 -6.655
291 HD23 LEU 34 2HD2 LEU 34 -1.430 -3.523 -5.810
292 H GLN 35 H GLN 35 3.502 -0.709 -2.314
293 HA GLN 35 HA GLN 35 1.584 1.070 -1.042
294 HB2 GLN 35 2HB GLN 35 4.500 0.549 -0.555
295 HB3 GLN 35 1HB GLN 35 3.571 1.765 0.318
296 HG2 GLN 35 2HG GLN 35 2.146 0.039 1.215
297 HG3 GLN 35 1HG GLN 35 3.007 -1.190 0.291
298 HE21 GLN 35 1HE2 GLN 35 5.595 0.149 0.803
299 HE22 GLN 35 2HE2 GLN 35 5.961 -0.246 2.444
300 H GLY 36 H GLY 36 1.417 3.102 -1.659
301 HA2 GLY 36 2HA GLY 36 3.616 4.298 -3.126
302 HA3 GLY 36 1HA GLY 36 2.065 4.187 -3.956
303 H CYS 37 H CYS 37 2.248 6.441 -4.049
304 HA CYS 37 HA CYS 37 1.311 7.770 -1.617
305 HB2 CYS 37 2HB CYS 37 2.677 8.985 -4.026
306 HB3 CYS 37 1HB CYS 37 2.299 9.745 -2.481
307 H SER 38 H SER 38 -0.719 8.803 -1.917
308 HA SER 38 HA SER 38 -1.727 8.894 -4.651
309 HB2 SER 38 2HB SER 38 -2.637 6.859 -3.804
310 HB3 SER 38 1HB SER 38 -3.166 7.610 -2.301
311 HG SER 38 HG SER 38 -4.917 8.206 -3.305
312 H SER 39 H SER 39 -3.318 10.393 -5.028
313 HA SER 39 HA SER 39 -3.062 12.779 -3.455
314 HB2 SER 39 2HB SER 39 -3.143 12.684 -5.971
315 HB3 SER 39 1HB SER 39 -4.841 12.248 -5.841
316 HG SER 39 HG SER 39 -3.658 14.550 -4.727
317 H SER 40 H SER 40 -5.687 10.528 -4.200
318 HA SER 40 HA SER 40 -7.123 11.657 -1.916
319 HB2 SER 40 2HB SER 40 -8.237 10.401 -4.442
320 HB3 SER 40 1HB SER 40 -9.189 11.036 -3.100
321 HG SER 40 HG SER 40 -8.693 13.025 -3.622
322 H CYS 41 H CYS 41 -8.943 9.719 -1.383
323 HA CYS 41 HA CYS 41 -7.358 7.278 -1.143
324 HB2 CYS 41 2HB CYS 41 -7.355 8.410 1.005
325 HB3 CYS 41 1HB CYS 41 -9.105 8.561 0.966
326 H SER 42 H SER 42 -8.417 5.379 -1.498
327 HA SER 42 HA SER 42 -11.005 5.527 -2.702
328 HB2 SER 42 2HB SER 42 -10.341 3.075 -3.107
329 HB3 SER 42 1HB SER 42 -9.395 4.329 -3.920
330 HG SER 42 HG SER 42 -8.601 2.464 -2.200
331 H GLU 43 H GLU 43 -12.444 3.500 -2.131
332 HA GLU 43 HA GLU 43 -12.847 3.542 0.764
333 HB2 GLU 43 2HB GLU 43 -15.021 2.529 0.287
334 HB3 GLU 43 1HB GLU 43 -14.778 3.959 -0.700
335 HG2 GLU 43 2HG GLU 43 -14.327 2.638 -2.635
336 HG3 GLU 43 1HG GLU 43 -14.299 1.158 -1.680
337 H THR 44 H THR 44 -10.708 1.916 -0.685
338 HA THR 44 HA THR 44 -11.503 -0.801 -0.443
339 HB THR 44 HB THR 44 -9.012 -1.025 -1.041
340 HG1 THR 44 1HG THR 44 -8.498 1.130 -0.377
341 HG21 THR 44 3HG2 THR 44 -10.897 0.455 -2.891
342 HG22 THR 44 1HG2 THR 44 -10.846 -1.293 -2.677
343 HG23 THR 44 2HG2 THR 44 -9.472 -0.453 -3.397
344 H GLU 45 H GLU 45 -10.735 -2.231 1.088
345 HA GLU 45 HA GLU 45 -9.414 -1.066 3.425
346 HB2 GLU 45 2HB GLU 45 -10.650 -3.786 3.063
347 HB3 GLU 45 1HB GLU 45 -10.009 -3.141 4.567
348 HG2 GLU 45 2HG GLU 45 -11.714 -1.369 4.474
349 HG3 GLU 45 1HG GLU 45 -12.393 -2.143 3.042
350 H ASN 46 H ASN 46 -9.011 -3.220 0.779
351 HA ASN 46 HA ASN 46 -6.609 -4.464 1.707
352 HB2 ASN 46 2HB ASN 46 -8.096 -5.483 -0.019
353 HB3 ASN 46 1HB ASN 46 -7.662 -4.183 -1.120
354 HD21 ASN 46 1HD2 ASN 46 -6.580 -7.060 0.479
355 HD22 ASN 46 2HD2 ASN 46 -5.188 -7.332 -0.512
356 H ASN 47 H ASN 47 -7.486 -1.528 0.043
357 HA ASN 47 HA ASN 47 -4.680 -0.808 -0.016
358 HB2 ASN 47 2HB ASN 47 -5.628 -0.827 -2.239
359 HB3 ASN 47 1HB ASN 47 -6.966 0.193 -1.722
360 HD21 ASN 47 1HD2 ASN 47 -6.630 2.382 -1.477
361 HD22 ASN 47 2HD2 ASN 47 -5.164 3.132 -1.971
362 H LYS 48 H LYS 48 -4.469 -0.006 1.823
363 HA LYS 48 HA LYS 48 -6.493 1.642 3.111
364 HB2 LYS 48 2HB LYS 48 -3.812 0.615 4.026
365 HB3 LYS 48 1HB LYS 48 -4.868 1.619 5.007
366 HG2 LYS 48 2HG LYS 48 -6.574 -0.074 4.940
367 HG3 LYS 48 1HG LYS 48 -5.569 -1.093 3.910
368 HD2 LYS 48 2HD LYS 48 -3.950 -1.364 5.656
369 HD3 LYS 48 1HD LYS 48 -4.757 -0.156 6.656
370 HE2 LYS 48 2HE LYS 48 -5.229 -2.419 7.422
371 HE3 LYS 48 1HE LYS 48 -6.694 -1.604 6.890
372 HZ1 LYS 48 3HZ LYS 48 -6.625 -3.883 6.146
373 HZ2 LYS 48 1HZ LYS 48 -5.188 -3.666 5.322
374 HZ3 LYS 48 2HZ LYS 48 -6.580 -2.887 4.806
375 H CYS 49 H CYS 49 -6.028 3.765 3.853
376 HA CYS 49 HA CYS 49 -3.684 4.982 2.616
377 HB2 CYS 49 2HB CYS 49 -4.977 6.969 2.093
378 HB3 CYS 49 1HB CYS 49 -5.724 5.572 1.323
379 H CYS 50 H CYS 50 -2.668 6.427 3.893
380 HA CYS 50 HA CYS 50 -3.946 7.252 6.351
381 HB2 CYS 50 2HB CYS 50 -1.730 6.794 7.513
382 HB3 CYS 50 1HB CYS 50 -2.653 5.362 7.069
383 H SER 51 H SER 51 -3.157 9.329 7.040
384 HA SER 51 HA SER 51 -1.499 10.563 4.992
385 HB2 SER 51 2HB SER 51 -3.832 11.349 4.903
386 HB3 SER 51 1HB SER 51 -3.722 11.882 6.580
387 HG SER 51 HG SER 51 -2.459 12.888 4.272
388 H THR 52 H THR 52 0.181 9.662 6.485
389 HA THR 52 HA THR 52 1.165 11.902 8.022
390 HB THR 52 HB THR 52 1.568 9.167 9.152
391 HG1 THR 52 1HG THR 52 -0.792 10.703 9.301
392 HG21 THR 52 3HG2 THR 52 1.457 11.906 10.416
393 HG22 THR 52 1HG2 THR 52 2.910 11.002 9.991
394 HG23 THR 52 2HG2 THR 52 1.841 10.408 11.262
395 H ASP 53 H ASP 53 3.437 11.860 7.896
396 HA ASP 53 HA ASP 53 4.333 10.451 5.575
397 HB2 ASP 53 2HB ASP 53 6.432 11.577 5.736
398 HB3 ASP 53 1HB ASP 53 5.213 12.745 6.207
399 H ARG 54 H ARG 54 5.384 8.674 5.356
400 HA ARG 54 HA ARG 54 6.253 6.622 5.753
401 HB2 ARG 54 2HB ARG 54 7.150 7.822 8.392
402 HB3 ARG 54 1HB ARG 54 7.738 6.316 7.704
403 HG2 ARG 54 2HG ARG 54 8.756 7.502 5.855
404 HG3 ARG 54 1HG ARG 54 8.060 9.022 6.408
405 HD2 ARG 54 2HD ARG 54 10.372 8.964 7.060
406 HD3 ARG 54 1HD ARG 54 9.388 8.807 8.506
407 HE ARG 54 HE ARG 54 11.015 6.726 7.246
408 HH11 ARG 54 1HH1 ARG 54 9.001 7.749 9.990
409 HH12 ARG 54 2HH1 ARG 54 9.511 6.479 10.990
410 HH21 ARG 54 1HH2 ARG 54 11.762 5.012 8.676
411 HH22 ARG 54 2HH2 ARG 54 11.103 4.917 10.246
412 H CYS 55 H CYS 55 3.468 7.336 6.583
413 HA CYS 55 HA CYS 55 2.947 5.626 8.819
414 HB2 CYS 55 2HB CYS 55 0.589 5.978 8.284
415 HB3 CYS 55 1HB CYS 55 1.480 7.495 8.321
416 H ASN 56 H ASN 56 3.172 5.127 5.360
417 HA ASN 56 HA ASN 56 1.761 2.665 5.605
418 HB2 ASN 56 2HB ASN 56 2.109 2.331 3.164
419 HB3 ASN 56 1HB ASN 56 1.374 3.881 3.529
420 HD21 ASN 56 1HD2 ASN 56 2.624 3.195 1.159
421 HD22 ASN 56 2HD2 ASN 56 4.032 4.168 0.938
422 H LYS 57 H LYS 57 3.083 1.882 7.169
423 HA LYS 57 HA LYS 57 5.759 1.086 6.392
424 HB2 LYS 57 2HB LYS 57 6.231 1.021 8.830
425 HB3 LYS 57 1HB LYS 57 5.717 2.594 8.234
426 HG2 LYS 57 2HG LYS 57 3.463 2.197 9.083
427 HG3 LYS 57 1HG LYS 57 3.974 0.629 9.685
428 HD2 LYS 57 2HD LYS 57 5.082 3.283 10.621
429 HD3 LYS 57 1HD LYS 57 3.797 2.409 11.423
430 HE2 LYS 57 2HE LYS 57 5.736 1.874 12.650
431 HE3 LYS 57 1HE LYS 57 5.429 0.478 11.641
432 HZ1 LYS 57 3HZ LYS 57 7.202 1.063 10.209
433 HZ2 LYS 57 1HZ LYS 57 7.768 1.176 11.772
434 HZ3 LYS 57 2HZ LYS 57 7.415 2.585 10.936
Start of MODEL 5
1 H1 LEU 1 1HT LEU 1 4.658 14.346 0.662
2 H2 LEU 1 2HT LEU 1 5.620 15.123 1.799
3 H3 LEU 1 3HT LEU 1 3.949 15.206 1.917
4 HA LEU 1 HA LEU 1 4.888 13.677 3.518
5 HB2 LEU 1 2HB LEU 1 3.124 12.652 1.343
6 HB3 LEU 1 1HB LEU 1 3.653 11.569 2.611
7 HG LEU 1 HG LEU 1 2.113 14.119 3.077
8 HD11 LEU 1 2HD1 LEU 1 0.245 12.595 3.565
9 HD12 LEU 1 3HD1 LEU 1 1.257 11.229 3.091
10 HD13 LEU 1 1HD1 LEU 1 0.784 12.430 1.889
11 HD21 LEU 1 1HD2 LEU 1 1.837 13.140 5.332
12 HD22 LEU 1 2HD2 LEU 1 3.520 13.503 4.946
13 HD23 LEU 1 3HD2 LEU 1 2.944 11.846 4.867
14 H LYS 2 H LYS 2 6.329 12.180 4.006
15 HA LYS 2 HA LYS 2 7.650 10.990 1.732
16 HB2 LYS 2 2HB LYS 2 9.631 10.659 3.199
17 HB3 LYS 2 1HB LYS 2 9.208 12.353 3.023
18 HG2 LYS 2 2HG LYS 2 8.153 12.322 5.207
19 HG3 LYS 2 1HG LYS 2 8.546 10.610 5.384
20 HD2 LYS 2 2HD LYS 2 10.195 11.777 6.599
21 HD3 LYS 2 1HD LYS 2 10.970 11.287 5.099
22 HE2 LYS 2 2HE LYS 2 11.574 13.569 5.647
23 HE3 LYS 2 1HE LYS 2 10.593 13.547 4.182
24 HZ1 LYS 2 3HZ LYS 2 9.975 15.310 5.756
25 HZ2 LYS 2 1HZ LYS 2 9.587 14.168 6.911
26 HZ3 LYS 2 2HZ LYS 2 8.682 14.272 5.501
27 H CYS 3 H CYS 3 7.072 8.986 1.390
28 HA CYS 3 HA CYS 3 6.419 7.300 3.663
29 HB2 CYS 3 2HB CYS 3 4.570 7.736 1.289
30 HB3 CYS 3 1HB CYS 3 4.366 6.472 2.506
31 H PHE 4 H PHE 4 6.111 4.955 2.908
32 HA PHE 4 HA PHE 4 8.520 4.356 1.404
33 HB2 PHE 4 2HB PHE 4 6.577 2.476 2.773
34 HB3 PHE 4 1HB PHE 4 8.128 2.047 2.061
35 HD1 PHE 4 1HD PHE 4 10.220 2.804 3.120
36 HD2 PHE 4 2HD PHE 4 6.432 3.416 4.939
37 HE1 PHE 4 1HE PHE 4 11.324 3.186 5.275
38 HE2 PHE 4 2HE PHE 4 7.524 3.813 7.107
39 HZ PHE 4 HZ PHE 4 9.983 3.693 7.278
40 H GLN 5 H GLN 5 7.303 5.353 -0.436
41 HA GLN 5 HA GLN 5 5.167 3.953 -1.690
42 HB2 GLN 5 2HB GLN 5 5.705 6.406 -1.940
43 HB3 GLN 5 1HB GLN 5 7.033 5.931 -2.981
44 HG2 GLN 5 2HG GLN 5 5.412 4.923 -4.545
45 HG3 GLN 5 1HG GLN 5 4.102 5.471 -3.503
46 HE21 GLN 5 1HE2 GLN 5 7.001 7.258 -4.203
47 HE22 GLN 5 2HE2 GLN 5 6.242 8.528 -5.074
48 H HIS 6 H HIS 6 8.612 3.890 -2.050
49 HA HIS 6 HA HIS 6 8.383 1.754 -4.075
50 HB2 HIS 6 2HB HIS 6 9.844 3.612 -4.744
51 HB3 HIS 6 1HB HIS 6 10.757 3.473 -3.252
52 HD1 HIS 6 1HD HIS 6 10.209 1.607 -6.540
53 HD2 HIS 6 2HD HIS 6 12.839 1.744 -3.327
54 HE1 HIS 6 1HE HIS 6 12.119 0.112 -7.148
55 H GLY 7 H GLY 7 8.582 2.161 -0.864
56 HA2 GLY 7 2HA GLY 7 8.873 0.334 0.671
57 HA3 GLY 7 1HA GLY 7 10.144 -0.297 -0.388
58 H LYS 8 H LYS 8 10.851 2.514 -0.840
59 HA LYS 8 HA LYS 8 12.549 2.990 1.497
60 HB2 LYS 8 2HB LYS 8 12.707 4.004 -1.352
61 HB3 LYS 8 1HB LYS 8 13.805 4.481 -0.067
62 HG2 LYS 8 2HG LYS 8 14.625 2.218 0.117
63 HG3 LYS 8 1HG LYS 8 13.447 1.678 -1.080
64 HD2 LYS 8 2HD LYS 8 14.495 3.063 -2.779
65 HD3 LYS 8 1HD LYS 8 15.624 3.700 -1.587
66 HE2 LYS 8 2HE LYS 8 16.637 1.981 -2.977
67 HE3 LYS 8 1HE LYS 8 16.601 1.502 -1.286
68 HZ1 LYS 8 3HZ LYS 8 14.836 0.497 -3.482
69 HZ2 LYS 8 1HZ LYS 8 14.588 0.131 -1.847
70 HZ3 LYS 8 2HZ LYS 8 15.975 -0.355 -2.623
71 H VAL 9 H VAL 9 12.668 5.168 2.219
72 HA VAL 9 HA VAL 9 10.160 6.524 2.292
73 HB VAL 9 HB VAL 9 12.872 7.489 3.256
74 HG11 VAL 9 1HG1 VAL 9 10.092 8.363 4.017
75 HG12 VAL 9 2HG1 VAL 9 11.255 9.272 3.050
76 HG13 VAL 9 3HG1 VAL 9 11.589 8.942 4.748
77 HG21 VAL 9 3HG2 VAL 9 12.312 5.368 4.317
78 HG22 VAL 9 1HG2 VAL 9 10.738 6.006 4.786
79 HG23 VAL 9 2HG2 VAL 9 12.206 6.693 5.479
80 H VAL 10 H VAL 10 9.536 7.572 0.518
81 HA VAL 10 HA VAL 10 11.499 9.314 -0.773
82 HB VAL 10 HB VAL 10 10.376 9.001 -2.924
83 HG11 VAL 10 1HG1 VAL 10 10.955 6.681 -3.410
84 HG12 VAL 10 2HG1 VAL 10 11.117 6.365 -1.680
85 HG13 VAL 10 3HG1 VAL 10 12.213 7.499 -2.479
86 HG21 VAL 10 3HG2 VAL 10 8.628 6.990 -1.517
87 HG22 VAL 10 1HG2 VAL 10 8.660 7.299 -3.252
88 HG23 VAL 10 2HG2 VAL 10 8.117 8.559 -2.142
89 H THR 11 H THR 11 10.682 11.296 -1.493
90 HA THR 11 HA THR 11 8.442 12.207 0.020
91 HB THR 11 HB THR 11 10.251 13.648 -1.936
92 HG1 THR 11 1HG THR 11 11.272 12.938 -0.039
93 HG21 THR 11 3HG2 THR 11 8.067 14.774 -1.739
94 HG22 THR 11 1HG2 THR 11 9.332 15.720 -0.954
95 HG23 THR 11 2HG2 THR 11 8.215 14.760 0.017
96 H CYS 12 H CYS 12 6.560 11.690 -0.700
97 HA CYS 12 HA CYS 12 5.847 11.379 -3.465
98 HB2 CYS 12 2HB CYS 12 4.151 11.520 -0.957
99 HB3 CYS 12 1HB CYS 12 3.665 10.863 -2.522
100 H HIS 13 H HIS 13 4.780 12.865 -4.679
101 HA HIS 13 HA HIS 13 5.486 15.536 -4.301
102 HB2 HIS 13 2HB HIS 13 4.840 14.214 -6.448
103 HB3 HIS 13 1HB HIS 13 3.201 14.739 -6.087
104 HD1 HIS 13 1HD HIS 13 2.595 16.957 -7.257
105 HD2 HIS 13 2HD HIS 13 6.678 16.491 -6.582
106 HE1 HIS 13 1HE HIS 13 3.690 18.931 -8.285
107 H ARG 14 H ARG 14 3.980 17.389 -4.284
108 HA ARG 14 HA ARG 14 2.506 17.359 -1.876
109 HB2 ARG 14 2HB ARG 14 2.535 19.454 -4.046
110 HB3 ARG 14 1HB ARG 14 1.818 19.678 -2.459
111 HG2 ARG 14 2HG ARG 14 4.730 19.123 -3.003
112 HG3 ARG 14 1HG ARG 14 4.045 20.705 -2.642
113 HD2 ARG 14 2HD ARG 14 3.341 19.872 -0.432
114 HD3 ARG 14 1HD ARG 14 4.037 18.297 -0.806
115 HE ARG 14 HE ARG 14 5.914 20.417 -1.094
116 HH11 ARG 14 1HH1 ARG 14 4.407 18.344 1.349
117 HH12 ARG 14 2HH1 ARG 14 5.696 18.399 2.431
118 HH21 ARG 14 1HH2 ARG 14 7.720 20.532 0.435
119 HH22 ARG 14 2HH2 ARG 14 7.644 19.663 1.891
120 H ASP 15 H ASP 15 1.516 16.546 -5.026
121 HA ASP 15 HA ASP 15 -1.298 17.027 -4.767
122 HB2 ASP 15 2HB ASP 15 0.160 14.975 -6.452
123 HB3 ASP 15 1HB ASP 15 -1.544 15.361 -6.591
124 H MET 16 H MET 16 0.925 14.592 -3.785
125 HA MET 16 HA MET 16 -1.070 12.625 -3.256
126 HB2 MET 16 2HB MET 16 1.940 12.651 -2.897
127 HB3 MET 16 1HB MET 16 0.978 11.350 -2.265
128 HG2 MET 16 2HG MET 16 1.841 10.708 -4.329
129 HG3 MET 16 1HG MET 16 0.101 10.927 -4.465
130 HE1 MET 16 3HE MET 16 -0.004 11.051 -6.959
131 HE2 MET 16 1HE MET 16 1.688 10.540 -6.901
132 HE3 MET 16 2HE MET 16 1.196 11.856 -7.992
133 H LYS 17 H LYS 17 -2.379 13.093 -1.791
134 HA LYS 17 HA LYS 17 -1.580 14.402 0.679
135 HB2 LYS 17 2HB LYS 17 -4.271 13.422 -0.231
136 HB3 LYS 17 1HB LYS 17 -3.956 14.428 1.169
137 HG2 LYS 17 2HG LYS 17 -3.248 16.238 -0.288
138 HG3 LYS 17 1HG LYS 17 -3.520 15.210 -1.703
139 HD2 LYS 17 2HD LYS 17 -5.880 14.976 -1.057
140 HD3 LYS 17 1HD LYS 17 -5.599 16.050 0.313
141 HE2 LYS 17 2HE LYS 17 -6.614 17.246 -1.528
142 HE3 LYS 17 1HE LYS 17 -4.982 17.839 -1.228
143 HZ1 LYS 17 3HZ LYS 17 -4.193 16.609 -3.128
144 HZ2 LYS 17 1HZ LYS 17 -5.480 17.564 -3.569
145 HZ3 LYS 17 2HZ LYS 17 -5.713 15.918 -3.394
146 H PHE 18 H PHE 18 -2.173 11.269 -0.575
147 HA PHE 18 HA PHE 18 -2.462 10.200 2.147
148 HB2 PHE 18 2HB PHE 18 -3.848 9.167 -0.330
149 HB3 PHE 18 1HB PHE 18 -3.992 8.523 1.295
150 HD1 PHE 18 1HD PHE 18 -5.298 9.722 2.985
151 HD2 PHE 18 2HD PHE 18 -5.023 11.136 -1.018
152 HE1 PHE 18 1HE PHE 18 -7.243 11.173 3.364
153 HE2 PHE 18 2HE PHE 18 -6.966 12.586 -0.650
154 HZ PHE 18 HZ PHE 18 -8.082 12.608 1.547
155 H CYS 19 H CYS 19 -1.156 8.543 2.575
156 HA CYS 19 HA CYS 19 0.330 7.354 0.379
157 HB2 CYS 19 2HB CYS 19 0.836 7.176 3.378
158 HB3 CYS 19 1HB CYS 19 1.864 6.582 2.066
159 H TYR 20 H TYR 20 -0.149 5.257 -0.105
160 HA TYR 20 HA TYR 20 -2.244 4.131 1.577
161 HB2 TYR 20 2HB TYR 20 -3.215 3.004 -0.347
162 HB3 TYR 20 1HB TYR 20 -3.133 4.731 -0.621
163 HD1 TYR 20 1HD TYR 20 -1.675 1.453 -1.570
164 HD2 TYR 20 2HD TYR 20 -1.888 5.607 -2.476
165 HE1 TYR 20 1HE TYR 20 -0.639 1.022 -3.719
166 HE2 TYR 20 2HE TYR 20 -0.831 5.175 -4.648
167 HH TYR 20 HH TYR 20 0.605 3.481 -5.655
168 H HIS 21 H HIS 21 -2.445 1.915 1.636
169 HA HIS 21 HA HIS 21 -0.000 0.403 1.246
170 HB2 HIS 21 2HB HIS 21 -0.053 0.889 3.605
171 HB3 HIS 21 1HB HIS 21 -1.779 0.595 3.691
172 HD1 HIS 21 1HD HIS 21 -1.545 -1.138 5.575
173 HD2 HIS 21 2HD HIS 21 0.616 -2.118 2.164
174 HE1 HIS 21 1HE HIS 21 -0.885 -3.551 5.838
175 H ASN 22 H ASN 22 -0.680 -0.697 -0.489
176 HA ASN 22 HA ASN 22 -3.231 -2.113 -0.360
177 HB2 ASN 22 2HB ASN 22 -2.632 -0.844 -2.472
178 HB3 ASN 22 1HB ASN 22 -1.205 -1.849 -2.573
179 HD21 ASN 22 1HD2 ASN 22 -4.589 -1.666 -3.040
180 HD22 ASN 22 2HD2 ASN 22 -4.791 -3.162 -3.863
181 H THR 23 H THR 23 -3.087 -4.117 0.435
182 HA THR 23 HA THR 23 -0.511 -5.438 0.175
183 HB THR 23 HB THR 23 -0.887 -4.798 2.502
184 HG1 THR 23 1HG THR 23 -1.405 -7.560 2.479
185 HG21 THR 23 3HG2 THR 23 -2.750 -5.739 3.827
186 HG22 THR 23 1HG2 THR 23 -3.434 -6.428 2.353
187 HG23 THR 23 2HG2 THR 23 -3.329 -4.678 2.541
188 H GLY 24 H GLY 24 -0.490 -7.410 -0.674
189 HA2 GLY 24 2HA GLY 24 -2.974 -8.463 -1.712
190 HA3 GLY 24 1HA GLY 24 -1.362 -9.112 -2.007
191 H MET 25 H MET 25 -3.199 -10.930 -1.505
192 HA MET 25 HA MET 25 -3.486 -11.449 1.297
193 HB2 MET 25 2HB MET 25 -4.036 -13.231 -1.099
194 HB3 MET 25 1HB MET 25 -4.522 -13.580 0.552
195 HG2 MET 25 2HG MET 25 -5.950 -11.585 0.545
196 HG3 MET 25 1HG MET 25 -5.475 -11.257 -1.114
197 HE1 MET 25 3HE MET 25 -7.982 -11.135 -1.897
198 HE2 MET 25 1HE MET 25 -8.491 -11.405 -0.231
199 HE3 MET 25 2HE MET 25 -9.189 -12.369 -1.530
200 HA PRO 26 HA PRO 26 0.382 -13.426 1.951
201 HB2 PRO 26 2HB PRO 26 -0.321 -15.353 3.783
202 HB3 PRO 26 1HB PRO 26 -0.090 -13.649 4.187
203 HG2 PRO 26 2HG PRO 26 -2.619 -15.155 3.671
204 HG3 PRO 26 1HG PRO 26 -2.283 -13.920 4.896
205 HD2 PRO 26 2HD PRO 26 -3.646 -13.371 2.646
206 HD3 PRO 26 1HD PRO 26 -2.562 -12.186 3.401
207 H PHE 27 H PHE 27 1.072 -14.476 0.188
208 HA PHE 27 HA PHE 27 0.125 -17.217 -0.210
209 HB2 PHE 27 2HB PHE 27 0.942 -15.180 -2.264
210 HB3 PHE 27 1HB PHE 27 0.748 -16.892 -2.652
211 HD1 PHE 27 2HD PHE 27 -1.701 -17.755 -1.696
212 HD2 PHE 27 1HD PHE 27 -0.713 -13.815 -2.956
213 HE1 PHE 27 2HE PHE 27 -4.071 -17.313 -2.162
214 HE2 PHE 27 1HE PHE 27 -3.073 -13.370 -3.425
215 HZ PHE 27 HZ PHE 27 -4.761 -15.117 -3.030
216 H ARG 28 H ARG 28 1.665 -18.743 -0.638
217 HA ARG 28 HA ARG 28 4.195 -18.389 0.485
218 HB2 ARG 28 2HB ARG 28 4.788 -20.595 -0.468
219 HB3 ARG 28 1HB ARG 28 3.226 -20.620 0.325
220 HG2 ARG 28 2HG ARG 28 2.118 -20.543 -1.861
221 HG3 ARG 28 1HG ARG 28 3.692 -20.476 -2.649
222 HD2 ARG 28 2HD ARG 28 4.256 -22.666 -1.748
223 HD3 ARG 28 1HD ARG 28 2.712 -22.734 -0.900
224 HE ARG 28 HE ARG 28 2.091 -22.311 -3.537
225 HH11 ARG 28 1HH1 ARG 28 3.816 -24.878 -1.792
226 HH12 ARG 28 2HH1 ARG 28 3.321 -26.100 -2.863
227 HH21 ARG 28 1HH2 ARG 28 1.426 -24.024 -4.971
228 HH22 ARG 28 2HH2 ARG 28 1.970 -25.611 -4.685
229 H ASN 29 H ASN 29 5.902 -17.420 -0.190
230 HA ASN 29 HA ASN 29 7.570 -16.544 -1.419
231 HB2 ASN 29 2HB ASN 29 6.478 -18.356 -3.556
232 HB3 ASN 29 1HB ASN 29 7.897 -17.345 -3.813
233 HD21 ASN 29 1HD2 ASN 29 9.178 -19.147 -4.163
234 HD22 ASN 29 2HD2 ASN 29 9.688 -20.200 -2.907
235 H LEU 30 H LEU 30 4.567 -15.643 -1.684
236 HA LEU 30 HA LEU 30 5.201 -13.623 -3.691
237 HB2 LEU 30 2HB LEU 30 3.640 -15.119 -4.724
238 HB3 LEU 30 1HB LEU 30 2.579 -15.067 -3.338
239 HG LEU 30 HG LEU 30 2.080 -12.689 -3.843
240 HD11 LEU 30 1HD1 LEU 30 4.133 -12.065 -4.954
241 HD12 LEU 30 2HD1 LEU 30 2.750 -11.748 -6.003
242 HD13 LEU 30 3HD1 LEU 30 3.770 -13.160 -6.287
243 HD21 LEU 30 3HD2 LEU 30 0.718 -13.100 -5.830
244 HD22 LEU 30 1HD2 LEU 30 0.625 -14.451 -4.702
245 HD23 LEU 30 2HD2 LEU 30 1.622 -14.579 -6.151
246 H LYS 31 H LYS 31 5.629 -11.960 -2.479
247 HA LYS 31 HA LYS 31 3.690 -11.167 -0.447
248 HB2 LYS 31 2HB LYS 31 6.001 -11.501 0.402
249 HB3 LYS 31 1HB LYS 31 6.589 -10.366 -0.794
250 HG2 LYS 31 2HG LYS 31 6.462 -9.340 1.422
251 HG3 LYS 31 1HG LYS 31 5.384 -8.545 0.278
252 HD2 LYS 31 2HD LYS 31 4.276 -8.829 2.424
253 HD3 LYS 31 1HD LYS 31 3.506 -9.815 1.183
254 HE2 LYS 31 2HE LYS 31 4.754 -11.781 2.003
255 HE3 LYS 31 1HE LYS 31 5.465 -10.781 3.270
256 HZ1 LYS 31 3HZ LYS 31 3.235 -10.429 4.163
257 HZ2 LYS 31 1HZ LYS 31 3.596 -12.072 4.068
258 HZ3 LYS 31 2HZ LYS 31 2.584 -11.396 2.929
259 H LEU 32 H LEU 32 2.261 -9.999 -1.620
260 HA LEU 32 HA LEU 32 3.249 -8.105 -3.575
261 HB2 LEU 32 2HB LEU 32 1.390 -9.541 -4.217
262 HB3 LEU 32 1HB LEU 32 0.461 -8.977 -2.847
263 HG LEU 32 HG LEU 32 0.436 -6.702 -3.853
264 HD11 LEU 32 1HD1 LEU 32 1.030 -6.442 -6.211
265 HD12 LEU 32 2HD1 LEU 32 1.689 -8.078 -6.221
266 HD13 LEU 32 3HD1 LEU 32 2.432 -6.833 -5.216
267 HD21 LEU 32 3HD2 LEU 32 -1.452 -8.191 -4.146
268 HD22 LEU 32 1HD2 LEU 32 -0.674 -8.932 -5.545
269 HD23 LEU 32 2HD2 LEU 32 -1.188 -7.248 -5.612
270 H ILE 33 H ILE 33 3.920 -6.334 -2.686
271 HA ILE 33 HA ILE 33 2.154 -4.968 -0.819
272 HB ILE 33 HB ILE 33 5.158 -5.227 -0.690
273 HG12 ILE 33 2HG1 ILE 33 3.797 -6.794 0.621
274 HG13 ILE 33 1HG1 ILE 33 4.736 -5.728 1.663
275 HG21 ILE 33 1HG2 ILE 33 4.738 -2.818 -0.615
276 HG22 ILE 33 2HG2 ILE 33 5.258 -3.415 0.964
277 HG23 ILE 33 3HG2 ILE 33 3.554 -3.076 0.667
278 HD11 ILE 33 3HD1 ILE 33 1.786 -5.533 1.060
279 HD12 ILE 33 1HD1 ILE 33 2.721 -4.320 1.933
280 HD13 ILE 33 2HD1 ILE 33 2.549 -5.948 2.598
281 H LEU 34 H LEU 34 1.250 -3.393 -1.817
282 HA LEU 34 HA LEU 34 2.970 -1.746 -3.488
283 HB2 LEU 34 2HB LEU 34 0.010 -2.249 -3.858
284 HB3 LEU 34 1HB LEU 34 0.931 -1.048 -4.739
285 HG LEU 34 HG LEU 34 1.283 -4.040 -4.878
286 HD11 LEU 34 1HD1 LEU 34 0.260 -3.816 -7.075
287 HD12 LEU 34 2HD1 LEU 34 0.088 -2.077 -6.819
288 HD13 LEU 34 3HD1 LEU 34 -0.818 -3.199 -5.814
289 HD21 LEU 34 3HD2 LEU 34 3.382 -2.857 -5.317
290 HD22 LEU 34 1HD2 LEU 34 2.559 -1.812 -6.477
291 HD23 LEU 34 2HD2 LEU 34 2.727 -3.536 -6.806
292 H GLN 35 H GLN 35 3.383 -0.949 -1.324
293 HA GLN 35 HA GLN 35 1.399 0.904 -0.316
294 HB2 GLN 35 2HB GLN 35 4.284 0.444 0.440
295 HB3 GLN 35 1HB GLN 35 3.232 1.606 1.231
296 HG2 GLN 35 2HG GLN 35 1.776 -0.169 1.957
297 HG3 GLN 35 1HG GLN 35 2.768 -1.357 1.117
298 HE21 GLN 35 1HE2 GLN 35 5.275 -0.058 1.890
299 HE22 GLN 35 2HE2 GLN 35 5.451 -0.351 3.576
300 H GLY 36 H GLY 36 1.154 2.833 -1.177
301 HA2 GLY 36 2HA GLY 36 3.449 4.010 -2.524
302 HA3 GLY 36 1HA GLY 36 1.960 3.782 -3.425
303 H CYS 37 H CYS 37 2.038 6.113 -3.722
304 HA CYS 37 HA CYS 37 0.635 7.429 -1.538
305 HB2 CYS 37 2HB CYS 37 2.853 8.759 -3.156
306 HB3 CYS 37 1HB CYS 37 1.799 9.526 -1.998
307 H SER 38 H SER 38 -1.044 8.628 -2.194
308 HA SER 38 HA SER 38 -1.398 8.920 -5.081
309 HB2 SER 38 2HB SER 38 -2.571 6.872 -4.385
310 HB3 SER 38 1HB SER 38 -3.498 7.806 -3.212
311 HG SER 38 HG SER 38 -4.811 7.822 -4.891
312 H SER 39 H SER 39 -2.923 10.491 -5.679
313 HA SER 39 HA SER 39 -2.944 12.804 -4.026
314 HB2 SER 39 2HB SER 39 -4.261 12.223 -6.685
315 HB3 SER 39 1HB SER 39 -3.936 13.829 -5.999
316 HG SER 39 HG SER 39 -1.730 13.318 -6.082
317 H SER 40 H SER 40 -5.253 10.301 -4.954
318 HA SER 40 HA SER 40 -7.018 11.217 -2.839
319 HB2 SER 40 2HB SER 40 -7.996 10.479 -5.622
320 HB3 SER 40 1HB SER 40 -8.990 10.989 -4.264
321 HG SER 40 HG SER 40 -7.379 12.921 -4.423
322 H CYS 41 H CYS 41 -7.985 9.450 -1.790
323 HA CYS 41 HA CYS 41 -6.959 6.853 -2.688
324 HB2 CYS 41 2HB CYS 41 -6.094 7.613 -0.506
325 HB3 CYS 41 1HB CYS 41 -7.738 7.728 0.105
326 H SER 42 H SER 42 -8.342 4.959 -2.057
327 HA SER 42 HA SER 42 -11.076 5.424 -2.789
328 HB2 SER 42 2HB SER 42 -10.838 2.858 -2.900
329 HB3 SER 42 1HB SER 42 -9.979 3.839 -4.095
330 HG SER 42 HG SER 42 -8.964 2.199 -2.149
331 H GLU 43 H GLU 43 -12.654 3.946 -1.603
332 HA GLU 43 HA GLU 43 -12.254 4.120 1.289
333 HB2 GLU 43 2HB GLU 43 -14.674 3.566 1.403
334 HB3 GLU 43 1HB GLU 43 -14.348 5.000 0.445
335 HG2 GLU 43 2HG GLU 43 -14.675 3.782 -1.591
336 HG3 GLU 43 1HG GLU 43 -14.821 2.263 -0.708
337 H THR 44 H THR 44 -10.830 2.132 -0.329
338 HA THR 44 HA THR 44 -12.015 -0.402 -0.052
339 HB THR 44 HB THR 44 -9.539 -0.964 -0.589
340 HG1 THR 44 1HG THR 44 -8.735 1.087 0.005
341 HG21 THR 44 3HG2 THR 44 -11.394 -1.049 -2.225
342 HG22 THR 44 1HG2 THR 44 -9.913 -0.423 -2.952
343 HG23 THR 44 2HG2 THR 44 -11.207 0.684 -2.495
344 H GLU 45 H GLU 45 -11.517 -1.931 1.486
345 HA GLU 45 HA GLU 45 -10.233 -0.938 3.885
346 HB2 GLU 45 2HB GLU 45 -11.641 -3.550 3.357
347 HB3 GLU 45 1HB GLU 45 -10.997 -3.050 4.912
348 HG2 GLU 45 2HG GLU 45 -12.547 -1.078 4.812
349 HG3 GLU 45 1HG GLU 45 -13.281 -1.822 3.392
350 H ASN 46 H ASN 46 -9.735 -3.141 1.259
351 HA ASN 46 HA ASN 46 -7.424 -4.388 2.377
352 HB2 ASN 46 2HB ASN 46 -8.576 -5.578 0.626
353 HB3 ASN 46 1HB ASN 46 -8.419 -4.211 -0.474
354 HD21 ASN 46 1HD2 ASN 46 -6.720 -6.860 1.069
355 HD22 ASN 46 2HD2 ASN 46 -5.326 -6.772 0.062
356 H ASN 47 H ASN 47 -7.931 -1.659 0.109
357 HA ASN 47 HA ASN 47 -5.106 -1.093 0.275
358 HB2 ASN 47 2HB ASN 47 -6.081 -0.951 -1.921
359 HB3 ASN 47 1HB ASN 47 -7.350 0.137 -1.355
360 HD21 ASN 47 1HD2 ASN 47 -6.804 2.307 -0.963
361 HD22 ASN 47 2HD2 ASN 47 -5.335 2.971 -1.558
362 H LYS 48 H LYS 48 -4.706 -0.283 2.085
363 HA LYS 48 HA LYS 48 -6.586 1.404 3.542
364 HB2 LYS 48 2HB LYS 48 -3.848 0.428 4.360
365 HB3 LYS 48 1HB LYS 48 -5.107 1.068 5.409
366 HG2 LYS 48 2HG LYS 48 -6.513 -0.851 4.920
367 HG3 LYS 48 1HG LYS 48 -5.284 -1.488 3.833
368 HD2 LYS 48 2HD LYS 48 -3.721 -1.609 5.743
369 HD3 LYS 48 1HD LYS 48 -5.022 -1.074 6.808
370 HE2 LYS 48 2HE LYS 48 -4.958 -3.601 5.153
371 HE3 LYS 48 1HE LYS 48 -4.821 -3.478 6.905
372 HZ1 LYS 48 3HZ LYS 48 -7.222 -2.752 5.307
373 HZ2 LYS 48 1HZ LYS 48 -7.088 -2.622 6.981
374 HZ3 LYS 48 2HZ LYS 48 -7.050 -4.127 6.228
375 H CYS 49 H CYS 49 -5.949 3.538 4.233
376 HA CYS 49 HA CYS 49 -3.459 4.491 3.229
377 HB2 CYS 49 2HB CYS 49 -4.581 6.503 2.147
378 HB3 CYS 49 1HB CYS 49 -4.585 4.978 1.274
379 H CYS 50 H CYS 50 -2.652 6.249 4.101
380 HA CYS 50 HA CYS 50 -4.099 7.530 6.255
381 HB2 CYS 50 2HB CYS 50 -1.877 7.230 7.537
382 HB3 CYS 50 1HB CYS 50 -2.937 5.825 7.401
383 H SER 51 H SER 51 -3.037 9.624 6.757
384 HA SER 51 HA SER 51 -1.612 10.602 4.391
385 HB2 SER 51 2HB SER 51 -2.707 12.820 5.153
386 HB3 SER 51 1HB SER 51 -3.707 11.602 4.363
387 HG SER 51 HG SER 51 -3.523 12.223 7.115
388 H THR 52 H THR 52 -0.265 9.480 6.686
389 HA THR 52 HA THR 52 1.081 11.879 7.709
390 HB THR 52 HB THR 52 0.981 9.222 9.087
391 HG1 THR 52 1HG THR 52 -0.799 11.413 9.074
392 HG21 THR 52 3HG2 THR 52 1.542 10.554 11.096
393 HG22 THR 52 1HG2 THR 52 1.551 12.015 10.108
394 HG23 THR 52 2HG2 THR 52 2.746 10.751 9.824
395 H ASP 53 H ASP 53 3.289 11.651 7.955
396 HA ASP 53 HA ASP 53 4.521 10.336 5.766
397 HB2 ASP 53 2HB ASP 53 6.633 11.266 6.488
398 HB3 ASP 53 1HB ASP 53 5.375 12.485 6.622
399 H ARG 54 H ARG 54 5.460 8.551 5.578
400 HA ARG 54 HA ARG 54 6.158 6.497 5.897
401 HB2 ARG 54 2HB ARG 54 7.098 7.646 8.521
402 HB3 ARG 54 1HB ARG 54 7.502 6.020 7.983
403 HG2 ARG 54 2HG ARG 54 8.634 6.907 6.037
404 HG3 ARG 54 1HG ARG 54 8.160 8.546 6.483
405 HD2 ARG 54 2HD ARG 54 10.492 8.004 7.078
406 HD3 ARG 54 1HD ARG 54 9.516 8.447 8.477
407 HE ARG 54 HE ARG 54 9.285 5.867 8.627
408 HH11 ARG 54 1HH1 ARG 54 12.243 7.670 7.816
409 HH12 ARG 54 2HH1 ARG 54 13.284 6.501 8.474
410 HH21 ARG 54 1HH2 ARG 54 10.752 4.265 9.525
411 HH22 ARG 54 2HH2 ARG 54 12.433 4.543 9.478
412 H CYS 55 H CYS 55 3.368 7.171 6.757
413 HA CYS 55 HA CYS 55 2.849 5.412 8.944
414 HB2 CYS 55 2HB CYS 55 0.493 5.801 8.434
415 HB3 CYS 55 1HB CYS 55 1.388 7.318 8.456
416 H ASN 56 H ASN 56 3.189 5.059 5.515
417 HA ASN 56 HA ASN 56 1.801 2.563 5.518
418 HB2 ASN 56 2HB ASN 56 2.197 2.452 3.098
419 HB3 ASN 56 1HB ASN 56 1.544 4.015 3.539
420 HD21 ASN 56 1HD2 ASN 56 2.785 3.482 1.155
421 HD22 ASN 56 2HD2 ASN 56 4.259 4.367 1.025
422 H LYS 57 H LYS 57 3.036 1.670 7.076
423 HA LYS 57 HA LYS 57 5.505 0.440 6.165
424 HB2 LYS 57 2HB LYS 57 6.368 0.654 8.497
425 HB3 LYS 57 1HB LYS 57 6.182 2.190 7.665
426 HG2 LYS 57 2HG LYS 57 4.101 2.605 8.882
427 HG3 LYS 57 1HG LYS 57 4.276 1.056 9.707
428 HD2 LYS 57 2HD LYS 57 6.356 1.820 10.724
429 HD3 LYS 57 1HD LYS 57 6.227 3.346 9.849
430 HE2 LYS 57 2HE LYS 57 4.234 2.338 11.879
431 HE3 LYS 57 1HE LYS 57 5.496 3.524 12.203
432 HZ1 LYS 57 3HZ LYS 57 3.395 4.589 11.796
433 HZ2 LYS 57 1HZ LYS 57 3.241 3.842 10.301
434 HZ3 LYS 57 2HZ LYS 57 4.470 4.983 10.562
Start of MODEL 6
1 H1 LEU 1 1HT LEU 1 5.431 15.203 2.439
2 H2 LEU 1 2HT LEU 1 3.744 15.284 2.509
3 H3 LEU 1 3HT LEU 1 4.505 14.709 1.123
4 HA LEU 1 HA LEU 1 4.597 13.425 3.753
5 HB2 LEU 1 2HB LEU 1 2.971 12.880 1.306
6 HB3 LEU 1 1HB LEU 1 3.387 11.595 2.414
7 HG LEU 1 HG LEU 1 1.823 14.066 3.159
8 HD11 LEU 1 2HD1 LEU 1 0.996 11.211 2.714
9 HD12 LEU 1 3HD1 LEU 1 0.613 12.560 1.643
10 HD13 LEU 1 1HD1 LEU 1 -0.063 12.512 3.279
11 HD21 LEU 1 1HD2 LEU 1 2.547 11.552 4.642
12 HD22 LEU 1 2HD2 LEU 1 1.402 12.760 5.221
13 HD23 LEU 1 3HD2 LEU 1 3.104 13.176 5.017
14 H LYS 2 H LYS 2 6.199 12.180 4.030
15 HA LYS 2 HA LYS 2 7.437 11.055 1.679
16 HB2 LYS 2 2HB LYS 2 9.469 10.693 3.214
17 HB3 LYS 2 1HB LYS 2 9.117 12.340 2.730
18 HG2 LYS 2 2HG LYS 2 8.027 12.708 4.935
19 HG3 LYS 2 1HG LYS 2 8.508 11.077 5.403
20 HD2 LYS 2 2HD LYS 2 10.817 11.612 5.239
21 HD3 LYS 2 1HD LYS 2 10.481 13.150 4.458
22 HE2 LYS 2 2HE LYS 2 11.101 13.572 6.742
23 HE3 LYS 2 1HE LYS 2 9.386 13.909 6.559
24 HZ1 LYS 2 3HZ LYS 2 8.856 11.846 7.704
25 HZ2 LYS 2 1HZ LYS 2 9.991 12.700 8.587
26 HZ3 LYS 2 2HZ LYS 2 10.483 11.388 7.684
27 H CYS 3 H CYS 3 6.980 8.968 1.330
28 HA CYS 3 HA CYS 3 6.407 7.288 3.652
29 HB2 CYS 3 2HB CYS 3 4.517 7.566 1.293
30 HB3 CYS 3 1HB CYS 3 4.351 6.395 2.607
31 H PHE 4 H PHE 4 6.131 4.914 3.014
32 HA PHE 4 HA PHE 4 8.558 4.245 1.592
33 HB2 PHE 4 2HB PHE 4 6.571 2.451 2.989
34 HB3 PHE 4 1HB PHE 4 8.155 1.976 2.403
35 HD1 PHE 4 1HD PHE 4 10.154 2.723 3.546
36 HD2 PHE 4 2HD PHE 4 6.292 3.661 5.022
37 HE1 PHE 4 1HE PHE 4 11.128 3.293 5.722
38 HE2 PHE 4 2HE PHE 4 7.246 4.243 7.190
39 HZ PHE 4 HZ PHE 4 9.679 4.055 7.557
40 H GLN 5 H GLN 5 7.845 4.774 -0.562
41 HA GLN 5 HA GLN 5 5.664 3.199 -1.649
42 HB2 GLN 5 2HB GLN 5 6.065 5.412 -2.589
43 HB3 GLN 5 1HB GLN 5 7.662 4.911 -3.125
44 HG2 GLN 5 2HG GLN 5 6.685 3.334 -4.682
45 HG3 GLN 5 1HG GLN 5 5.071 3.719 -4.105
46 HE21 GLN 5 1HE2 GLN 5 7.584 6.093 -4.638
47 HE22 GLN 5 2HE2 GLN 5 6.830 6.870 -5.970
48 H HIS 6 H HIS 6 9.172 3.042 -1.941
49 HA HIS 6 HA HIS 6 8.788 0.490 -3.330
50 HB2 HIS 6 2HB HIS 6 11.074 0.705 -4.261
51 HB3 HIS 6 1HB HIS 6 10.051 2.047 -4.718
52 HD1 HIS 6 1HD HIS 6 12.993 2.462 -5.039
53 HD2 HIS 6 2HD HIS 6 11.042 3.317 -1.478
54 HE1 HIS 6 1HE HIS 6 14.424 4.140 -3.832
55 H GLY 7 H GLY 7 8.749 1.068 -0.474
56 HA2 GLY 7 2HA GLY 7 9.229 -0.571 1.212
57 HA3 GLY 7 1HA GLY 7 10.725 -0.953 0.356
58 H LYS 8 H LYS 8 11.542 1.591 -0.160
59 HA LYS 8 HA LYS 8 12.300 2.578 2.476
60 HB2 LYS 8 2HB LYS 8 13.449 3.075 -0.268
61 HB3 LYS 8 1HB LYS 8 14.044 3.843 1.194
62 HG2 LYS 8 2HG LYS 8 14.719 1.706 2.103
63 HG3 LYS 8 1HG LYS 8 14.013 0.865 0.725
64 HD2 LYS 8 2HD LYS 8 16.260 2.871 0.525
65 HD3 LYS 8 1HD LYS 8 16.493 1.124 0.604
66 HE2 LYS 8 2HE LYS 8 15.208 0.846 -1.447
67 HE3 LYS 8 1HE LYS 8 14.914 2.577 -1.525
68 HZ1 LYS 8 3HZ LYS 8 16.722 1.885 -2.974
69 HZ2 LYS 8 1HZ LYS 8 17.586 1.307 -1.649
70 HZ3 LYS 8 2HZ LYS 8 17.250 2.957 -1.798
71 H VAL 9 H VAL 9 12.466 4.993 2.600
72 HA VAL 9 HA VAL 9 9.878 6.053 2.052
73 HB VAL 9 HB VAL 9 12.301 7.490 3.146
74 HG11 VAL 9 1HG1 VAL 9 9.367 8.120 3.349
75 HG12 VAL 9 2HG1 VAL 9 10.565 8.995 2.397
76 HG13 VAL 9 3HG1 VAL 9 10.662 8.999 4.160
77 HG21 VAL 9 3HG2 VAL 9 11.826 5.565 4.514
78 HG22 VAL 9 1HG2 VAL 9 10.124 6.015 4.598
79 HG23 VAL 9 2HG2 VAL 9 11.339 7.038 5.358
80 H VAL 10 H VAL 10 9.243 7.330 0.466
81 HA VAL 10 HA VAL 10 11.225 8.731 -1.160
82 HB VAL 10 HB VAL 10 9.892 8.436 -3.142
83 HG11 VAL 10 1HG1 VAL 10 10.202 5.781 -1.785
84 HG12 VAL 10 2HG1 VAL 10 11.415 6.629 -2.741
85 HG13 VAL 10 3HG1 VAL 10 9.952 6.014 -3.514
86 HG21 VAL 10 3HG2 VAL 10 7.809 7.148 -3.219
87 HG22 VAL 10 1HG2 VAL 10 7.669 8.539 -2.148
88 HG23 VAL 10 2HG2 VAL 10 7.882 6.923 -1.470
89 H THR 11 H THR 11 10.456 10.783 -1.876
90 HA THR 11 HA THR 11 8.488 11.870 -0.068
91 HB THR 11 HB THR 11 10.088 13.308 -2.192
92 HG1 THR 11 1HG THR 11 10.956 12.051 -0.054
93 HG21 THR 11 3HG2 THR 11 9.658 15.269 -0.775
94 HG22 THR 11 1HG2 THR 11 8.736 14.267 0.346
95 HG23 THR 11 2HG2 THR 11 8.139 14.535 -1.291
96 H CYS 12 H CYS 12 6.433 11.967 -0.604
97 HA CYS 12 HA CYS 12 5.466 11.568 -3.285
98 HB2 CYS 12 2HB CYS 12 3.957 12.411 -0.804
99 HB3 CYS 12 1HB CYS 12 3.306 11.625 -2.236
100 H HIS 13 H HIS 13 4.509 13.270 -4.531
101 HA HIS 13 HA HIS 13 5.523 15.880 -3.933
102 HB2 HIS 13 2HB HIS 13 5.167 14.841 -6.287
103 HB3 HIS 13 1HB HIS 13 3.474 15.262 -6.069
104 HD1 HIS 13 1HD HIS 13 2.826 17.663 -6.811
105 HD2 HIS 13 2HD HIS 13 6.922 17.152 -6.201
106 HE1 HIS 13 1HE HIS 13 3.877 19.816 -7.417
107 H ARG 14 H ARG 14 3.869 17.820 -4.118
108 HA ARG 14 HA ARG 14 2.231 17.560 -1.812
109 HB2 ARG 14 2HB ARG 14 2.514 19.864 -3.729
110 HB3 ARG 14 1HB ARG 14 1.596 19.933 -2.233
111 HG2 ARG 14 2HG ARG 14 4.545 19.418 -2.485
112 HG3 ARG 14 1HG ARG 14 3.801 20.947 -2.024
113 HD2 ARG 14 2HD ARG 14 3.658 18.343 -0.479
114 HD3 ARG 14 1HD ARG 14 4.620 19.755 -0.065
115 HE ARG 14 HE ARG 14 1.809 20.287 -0.299
116 HH11 ARG 14 1HH1 ARG 14 4.389 19.355 1.952
117 HH12 ARG 14 2HH1 ARG 14 3.497 19.743 3.346
118 HH21 ARG 14 1HH2 ARG 14 0.618 20.828 1.605
119 HH22 ARG 14 2HH2 ARG 14 1.309 20.587 3.153
120 H ASP 15 H ASP 15 1.565 16.794 -4.957
121 HA ASP 15 HA ASP 15 -1.235 17.485 -4.979
122 HB2 ASP 15 2HB ASP 15 0.283 15.460 -6.642
123 HB3 ASP 15 1HB ASP 15 -1.381 15.951 -6.923
124 H MET 16 H MET 16 0.778 14.940 -3.933
125 HA MET 16 HA MET 16 -1.324 13.061 -3.563
126 HB2 MET 16 2HB MET 16 1.627 13.020 -2.914
127 HB3 MET 16 1HB MET 16 0.563 11.736 -2.386
128 HG2 MET 16 2HG MET 16 1.618 11.077 -4.355
129 HG3 MET 16 1HG MET 16 -0.090 11.337 -4.665
130 HE1 MET 16 3HE MET 16 1.424 12.179 -8.070
131 HE2 MET 16 1HE MET 16 0.123 11.390 -7.156
132 HE3 MET 16 2HE MET 16 1.791 10.898 -6.890
133 H LYS 17 H LYS 17 -2.494 12.761 -1.930
134 HA LYS 17 HA LYS 17 -2.145 14.517 0.398
135 HB2 LYS 17 2HB LYS 17 -4.605 13.168 -0.695
136 HB3 LYS 17 1HB LYS 17 -4.552 14.256 0.679
137 HG2 LYS 17 2HG LYS 17 -3.911 16.084 -0.755
138 HG3 LYS 17 1HG LYS 17 -3.847 15.001 -2.149
139 HD2 LYS 17 2HD LYS 17 -6.221 14.530 -1.897
140 HD3 LYS 17 1HD LYS 17 -6.303 15.594 -0.497
141 HE2 LYS 17 2HE LYS 17 -5.621 17.481 -1.930
142 HE3 LYS 17 1HE LYS 17 -5.579 16.389 -3.315
143 HZ1 LYS 17 3HZ LYS 17 -7.629 17.606 -3.276
144 HZ2 LYS 17 1HZ LYS 17 -7.960 17.094 -1.699
145 HZ3 LYS 17 2HZ LYS 17 -7.948 15.979 -2.970
146 H PHE 18 H PHE 18 -2.350 11.241 -0.718
147 HA PHE 18 HA PHE 18 -2.420 10.301 2.057
148 HB2 PHE 18 2HB PHE 18 -3.921 9.045 -0.246
149 HB3 PHE 18 1HB PHE 18 -3.887 8.483 1.415
150 HD1 PHE 18 2HD PHE 18 -5.140 9.699 3.152
151 HD2 PHE 18 1HD PHE 18 -5.318 10.846 -0.947
152 HE1 PHE 18 2HE PHE 18 -7.163 11.021 3.608
153 HE2 PHE 18 1HE PHE 18 -7.346 12.162 -0.494
154 HZ PHE 18 HZ PHE 18 -8.267 12.251 1.786
155 H CYS 19 H CYS 19 -1.082 8.617 2.418
156 HA CYS 19 HA CYS 19 0.356 7.500 0.151
157 HB2 CYS 19 2HB CYS 19 0.886 7.196 3.139
158 HB3 CYS 19 1HB CYS 19 1.901 6.645 1.810
159 H TYR 20 H TYR 20 -0.385 5.560 -0.487
160 HA TYR 20 HA TYR 20 -2.342 4.347 1.284
161 HB2 TYR 20 2HB TYR 20 -3.348 3.240 -0.630
162 HB3 TYR 20 1HB TYR 20 -3.242 4.963 -0.928
163 HD1 TYR 20 1HD TYR 20 -2.034 1.649 -1.900
164 HD2 TYR 20 2HD TYR 20 -1.803 5.812 -2.700
165 HE1 TYR 20 1HE TYR 20 -0.981 1.156 -4.036
166 HE2 TYR 20 2HE TYR 20 -0.738 5.336 -4.862
167 HH TYR 20 HH TYR 20 -0.763 2.263 -6.182
168 H HIS 21 H HIS 21 -2.412 2.232 1.606
169 HA HIS 21 HA HIS 21 0.034 0.737 1.099
170 HB2 HIS 21 2HB HIS 21 0.141 1.401 3.409
171 HB3 HIS 21 1HB HIS 21 -1.555 1.041 3.658
172 HD1 HIS 21 1HD HIS 21 -1.344 -0.661 5.490
173 HD2 HIS 21 2HD HIS 21 1.081 -1.543 2.244
174 HE1 HIS 21 1HE HIS 21 -0.413 -2.969 5.922
175 H ASN 22 H ASN 22 -0.716 -0.543 -0.476
176 HA ASN 22 HA ASN 22 -3.164 -2.032 0.097
177 HB2 ASN 22 2HB ASN 22 -3.209 -0.762 -2.063
178 HB3 ASN 22 1HB ASN 22 -1.771 -1.627 -2.572
179 HD21 ASN 22 1HD2 ASN 22 -1.965 -3.832 -3.125
180 HD22 ASN 22 2HD2 ASN 22 -3.505 -4.544 -3.464
181 H THR 23 H THR 23 -2.618 -3.765 1.052
182 HA THR 23 HA THR 23 -0.130 -5.076 0.314
183 HB THR 23 HB THR 23 -0.398 -4.527 2.691
184 HG1 THR 23 1HG THR 23 -0.664 -7.144 3.153
185 HG21 THR 23 3HG2 THR 23 -2.858 -6.291 2.612
186 HG22 THR 23 1HG2 THR 23 -2.817 -4.548 2.899
187 HG23 THR 23 2HG2 THR 23 -2.117 -5.649 4.083
188 H GLY 24 H GLY 24 -0.380 -7.573 0.434
189 HA2 GLY 24 2HA GLY 24 -2.729 -8.225 -1.212
190 HA3 GLY 24 1HA GLY 24 -1.247 -9.174 -1.129
191 H MET 25 H MET 25 -2.891 -10.890 -0.849
192 HA MET 25 HA MET 25 -4.128 -11.109 1.727
193 HB2 MET 25 2HB MET 25 -3.478 -13.244 -0.324
194 HB3 MET 25 1HB MET 25 -4.469 -13.495 1.106
195 HG2 MET 25 2HG MET 25 -6.089 -11.868 0.227
196 HG3 MET 25 1HG MET 25 -5.101 -11.689 -1.219
197 HE1 MET 25 3HE MET 25 -5.897 -15.017 0.822
198 HE2 MET 25 1HE MET 25 -7.326 -15.578 -0.041
199 HE3 MET 25 2HE MET 25 -7.391 -14.084 0.893
200 HA PRO 26 HA PRO 26 -0.368 -11.983 3.831
201 HB2 PRO 26 2HB PRO 26 -1.366 -13.254 6.049
202 HB3 PRO 26 1HB PRO 26 -1.374 -11.502 5.831
203 HG2 PRO 26 2HG PRO 26 -3.579 -13.475 5.407
204 HG3 PRO 26 1HG PRO 26 -3.652 -11.848 6.103
205 HD2 PRO 26 2HD PRO 26 -4.420 -12.384 3.563
206 HD3 PRO 26 1HD PRO 26 -3.701 -10.830 4.033
207 H PHE 27 H PHE 27 0.755 -13.393 2.717
208 HA PHE 27 HA PHE 27 0.497 -16.184 3.421
209 HB2 PHE 27 2HB PHE 27 0.861 -15.056 0.648
210 HB3 PHE 27 1HB PHE 27 1.387 -16.682 1.053
211 HD1 PHE 27 2HD PHE 27 -0.249 -18.425 1.465
212 HD2 PHE 27 1HD PHE 27 -1.462 -14.490 0.422
213 HE1 PHE 27 2HE PHE 27 -2.499 -19.257 0.941
214 HE2 PHE 27 1HE PHE 27 -3.710 -15.327 -0.109
215 HZ PHE 27 HZ PHE 27 -4.228 -17.706 0.155
216 H ARG 28 H ARG 28 2.416 -17.190 3.659
217 HA ARG 28 HA ARG 28 4.604 -15.508 4.361
218 HB2 ARG 28 2HB ARG 28 4.379 -18.505 4.139
219 HB3 ARG 28 1HB ARG 28 5.748 -17.661 4.849
220 HG2 ARG 28 2HG ARG 28 2.925 -17.412 5.886
221 HG3 ARG 28 1HG ARG 28 4.070 -18.607 6.482
222 HD2 ARG 28 2HD ARG 28 4.023 -16.675 7.967
223 HD3 ARG 28 1HD ARG 28 5.584 -16.788 7.169
224 HE ARG 28 HE ARG 28 3.570 -14.978 6.054
225 HH11 ARG 28 1HH1 ARG 28 6.547 -15.356 7.923
226 HH12 ARG 28 2HH1 ARG 28 7.079 -13.756 7.673
227 HH21 ARG 28 1HH2 ARG 28 4.285 -12.781 5.720
228 HH22 ARG 28 2HH2 ARG 28 5.747 -12.248 6.408
229 H ASN 29 H ASN 29 6.296 -14.942 3.195
230 HA ASN 29 HA ASN 29 7.701 -14.604 1.539
231 HB2 ASN 29 2HB ASN 29 6.908 -17.390 0.751
232 HB3 ASN 29 1HB ASN 29 7.924 -16.430 -0.322
233 HD21 ASN 29 1HD2 ASN 29 9.637 -17.836 -0.077
234 HD22 ASN 29 2HD2 ASN 29 10.587 -17.927 1.362
235 H LEU 30 H LEU 30 4.760 -14.080 1.467
236 HA LEU 30 HA LEU 30 4.782 -13.196 -1.316
237 HB2 LEU 30 2HB LEU 30 2.915 -14.754 -0.921
238 HB3 LEU 30 1HB LEU 30 2.363 -13.730 0.397
239 HG LEU 30 HG LEU 30 1.955 -11.904 -1.229
240 HD11 LEU 30 1HD1 LEU 30 3.540 -12.565 -2.939
241 HD12 LEU 30 2HD1 LEU 30 1.921 -12.354 -3.595
242 HD13 LEU 30 3HD1 LEU 30 2.555 -13.980 -3.320
243 HD21 LEU 30 3HD2 LEU 30 0.118 -13.325 -0.559
244 HD22 LEU 30 1HD2 LEU 30 0.530 -14.492 -1.821
245 HD23 LEU 30 2HD2 LEU 30 -0.037 -12.878 -2.256
246 H LYS 31 H LYS 31 5.809 -11.368 -0.910
247 HA LYS 31 HA LYS 31 4.543 -9.438 0.891
248 HB2 LYS 31 2HB LYS 31 7.254 -9.369 -0.455
249 HB3 LYS 31 1HB LYS 31 6.633 -8.140 0.630
250 HG2 LYS 31 2HG LYS 31 6.653 -9.695 2.477
251 HG3 LYS 31 1HG LYS 31 7.134 -11.006 1.399
252 HD2 LYS 31 2HD LYS 31 9.240 -9.843 0.925
253 HD3 LYS 31 1HD LYS 31 8.753 -8.526 1.993
254 HE2 LYS 31 2HE LYS 31 8.749 -10.005 3.893
255 HE3 LYS 31 1HE LYS 31 9.073 -11.396 2.862
256 HZ1 LYS 31 3HZ LYS 31 10.909 -9.090 3.214
257 HZ2 LYS 31 1HZ LYS 31 11.238 -10.499 2.353
258 HZ3 LYS 31 2HZ LYS 31 11.058 -10.559 4.022
259 H LEU 32 H LEU 32 2.998 -8.435 -0.209
260 HA LEU 32 HA LEU 32 3.545 -7.662 -2.968
261 HB2 LEU 32 2HB LEU 32 1.505 -8.987 -2.698
262 HB3 LEU 32 1HB LEU 32 0.918 -7.872 -1.481
263 HG LEU 32 HG LEU 32 0.834 -6.083 -3.203
264 HD11 LEU 32 1HD1 LEU 32 2.494 -6.912 -4.738
265 HD12 LEU 32 2HD1 LEU 32 0.947 -6.685 -5.553
266 HD13 LEU 32 3HD1 LEU 32 1.480 -8.307 -5.112
267 HD21 LEU 32 3HD2 LEU 32 -0.759 -8.567 -3.811
268 HD22 LEU 32 1HD2 LEU 32 -1.142 -6.944 -4.389
269 HD23 LEU 32 2HD2 LEU 32 -1.178 -7.295 -2.663
270 H ILE 33 H ILE 33 4.422 -5.750 -2.974
271 HA ILE 33 HA ILE 33 3.415 -3.825 -1.055
272 HB ILE 33 HB ILE 33 6.072 -3.877 -2.502
273 HG12 ILE 33 2HG1 ILE 33 5.951 -5.343 -0.557
274 HG13 ILE 33 1HG1 ILE 33 6.997 -3.971 -0.212
275 HG21 ILE 33 1HG2 ILE 33 5.272 -1.559 -2.423
276 HG22 ILE 33 2HG2 ILE 33 6.646 -1.793 -1.341
277 HG23 ILE 33 3HG2 ILE 33 5.013 -1.704 -0.683
278 HD11 ILE 33 3HD1 ILE 33 5.104 -2.903 1.001
279 HD12 ILE 33 1HD1 ILE 33 5.612 -4.439 1.717
280 HD13 ILE 33 2HD1 ILE 33 4.155 -4.356 0.734
281 H LEU 34 H LEU 34 1.760 -2.942 -1.868
282 HA LEU 34 HA LEU 34 2.226 -1.282 -4.206
283 HB2 LEU 34 2HB LEU 34 -0.313 -2.638 -3.324
284 HB3 LEU 34 1HB LEU 34 -0.314 -1.304 -4.474
285 HG LEU 34 HG LEU 34 0.990 -3.996 -4.850
286 HD11 LEU 34 1HD1 LEU 34 -1.431 -4.141 -4.903
287 HD12 LEU 34 2HD1 LEU 34 -0.783 -4.339 -6.534
288 HD13 LEU 34 3HD1 LEU 34 -1.503 -2.803 -6.041
289 HD21 LEU 34 3HD2 LEU 34 2.198 -2.263 -6.054
290 HD22 LEU 34 1HD2 LEU 34 0.685 -1.672 -6.747
291 HD23 LEU 34 2HD2 LEU 34 1.290 -3.269 -7.180
292 H GLN 35 H GLN 35 3.236 -0.235 -2.390
293 HA GLN 35 HA GLN 35 1.344 1.375 -0.827
294 HB2 GLN 35 2HB GLN 35 4.296 0.859 -0.409
295 HB3 GLN 35 1HB GLN 35 3.265 1.805 0.652
296 HG2 GLN 35 2HG GLN 35 2.001 -0.162 1.204
297 HG3 GLN 35 1HG GLN 35 2.964 -1.137 0.096
298 HE21 GLN 35 1HE2 GLN 35 5.438 0.346 0.931
299 HE22 GLN 35 2HE2 GLN 35 5.830 -0.325 2.472
300 H GLY 36 H GLY 36 1.088 3.345 -1.736
301 HA2 GLY 36 2HA GLY 36 3.434 4.585 -2.948
302 HA3 GLY 36 1HA GLY 36 2.033 4.333 -3.984
303 H CYS 37 H CYS 37 2.367 6.711 -4.097
304 HA CYS 37 HA CYS 37 1.034 8.042 -1.861
305 HB2 CYS 37 2HB CYS 37 2.694 9.343 -4.044
306 HB3 CYS 37 1HB CYS 37 2.149 10.022 -2.520
307 H SER 38 H SER 38 -0.944 8.942 -2.338
308 HA SER 38 HA SER 38 -1.627 9.220 -5.162
309 HB2 SER 38 2HB SER 38 -2.587 7.088 -4.387
310 HB3 SER 38 1HB SER 38 -3.417 7.934 -3.081
311 HG SER 38 HG SER 38 -4.375 7.466 -5.398
312 H SER 39 H SER 39 -3.276 10.700 -5.581
313 HA SER 39 HA SER 39 -3.354 12.946 -3.762
314 HB2 SER 39 2HB SER 39 -2.905 13.175 -6.216
315 HB3 SER 39 1HB SER 39 -4.537 12.605 -6.539
316 HG SER 39 HG SER 39 -3.731 14.917 -5.138
317 H SER 40 H SER 40 -5.180 10.169 -4.349
318 HA SER 40 HA SER 40 -7.408 11.269 -2.863
319 HB2 SER 40 2HB SER 40 -7.685 9.771 -5.488
320 HB3 SER 40 1HB SER 40 -9.024 10.194 -4.419
321 HG SER 40 HG SER 40 -7.755 12.414 -4.756
322 H CYS 41 H CYS 41 -9.002 8.945 -2.812
323 HA CYS 41 HA CYS 41 -7.234 6.781 -2.157
324 HB2 CYS 41 2HB CYS 41 -7.259 7.983 -0.057
325 HB3 CYS 41 1HB CYS 41 -9.009 8.143 -0.118
326 H SER 42 H SER 42 -8.328 4.807 -2.119
327 HA SER 42 HA SER 42 -11.181 4.889 -2.745
328 HB2 SER 42 2HB SER 42 -9.734 3.838 -4.498
329 HB3 SER 42 1HB SER 42 -9.191 2.679 -3.269
330 HG SER 42 HG SER 42 -11.915 2.922 -3.544
331 H GLU 43 H GLU 43 -12.227 4.523 -1.008
332 HA GLU 43 HA GLU 43 -11.016 3.460 1.330
333 HB2 GLU 43 2HB GLU 43 -13.211 3.786 2.439
334 HB3 GLU 43 1HB GLU 43 -12.623 5.222 1.620
335 HG2 GLU 43 2HG GLU 43 -14.112 4.745 -0.250
336 HG3 GLU 43 1HG GLU 43 -14.677 3.314 0.610
337 H THR 44 H THR 44 -10.485 1.523 1.275
338 HA THR 44 HA THR 44 -12.480 -0.561 0.871
339 HB THR 44 HB THR 44 -10.654 -1.886 -0.314
340 HG1 THR 44 1HG THR 44 -9.516 0.700 -0.543
341 HG21 THR 44 3HG2 THR 44 -12.514 -0.885 -1.576
342 HG22 THR 44 1HG2 THR 44 -11.013 -0.825 -2.502
343 HG23 THR 44 2HG2 THR 44 -11.613 0.625 -1.698
344 H GLU 45 H GLU 45 -11.254 -2.748 1.554
345 HA GLU 45 HA GLU 45 -10.243 -2.173 4.225
346 HB2 GLU 45 2HB GLU 45 -12.140 -3.734 3.909
347 HB3 GLU 45 1HB GLU 45 -11.098 -4.766 2.945
348 HG2 GLU 45 2HG GLU 45 -9.673 -5.134 4.900
349 HG3 GLU 45 1HG GLU 45 -10.750 -4.121 5.863
350 H ASN 46 H ASN 46 -9.302 -3.419 1.156
351 HA ASN 46 HA ASN 46 -6.894 -4.653 2.196
352 HB2 ASN 46 2HB ASN 46 -8.252 -5.710 0.371
353 HB3 ASN 46 1HB ASN 46 -7.772 -4.388 -0.685
354 HD21 ASN 46 1HD2 ASN 46 -5.672 -4.356 -1.502
355 HD22 ASN 46 2HD2 ASN 46 -4.583 -5.668 -1.251
356 H ASN 47 H ASN 47 -7.821 -1.787 0.302
357 HA ASN 47 HA ASN 47 -5.035 -0.966 0.279
358 HB2 ASN 47 2HB ASN 47 -6.055 -0.890 -1.889
359 HB3 ASN 47 1HB ASN 47 -7.446 0.001 -1.275
360 HD21 ASN 47 1HD2 ASN 47 -7.207 2.188 -0.833
361 HD22 ASN 47 2HD2 ASN 47 -5.883 3.106 -1.441
362 H LYS 48 H LYS 48 -4.563 0.036 2.008
363 HA LYS 48 HA LYS 48 -6.537 1.647 3.421
364 HB2 LYS 48 2HB LYS 48 -3.808 0.622 4.164
365 HB3 LYS 48 1HB LYS 48 -4.745 1.701 5.198
366 HG2 LYS 48 2HG LYS 48 -5.582 -1.040 4.278
367 HG3 LYS 48 1HG LYS 48 -4.896 -0.656 5.855
368 HD2 LYS 48 2HD LYS 48 -6.816 0.890 6.240
369 HD3 LYS 48 1HD LYS 48 -7.509 0.339 4.718
370 HE2 LYS 48 2HE LYS 48 -8.505 -0.830 6.614
371 HE3 LYS 48 1HE LYS 48 -7.623 -1.939 5.567
372 HZ1 LYS 48 3HZ LYS 48 -6.582 -0.808 8.116
373 HZ2 LYS 48 1HZ LYS 48 -5.790 -1.918 7.128
374 HZ3 LYS 48 2HZ LYS 48 -7.209 -2.347 7.929
375 H CYS 49 H CYS 49 -5.995 3.796 4.095
376 HA CYS 49 HA CYS 49 -3.934 5.099 2.474
377 HB2 CYS 49 2HB CYS 49 -6.734 6.134 2.940
378 HB3 CYS 49 1HB CYS 49 -5.456 6.963 2.067
379 H CYS 50 H CYS 50 -2.634 6.231 3.768
380 HA CYS 50 HA CYS 50 -3.816 7.387 6.141
381 HB2 CYS 50 2HB CYS 50 -1.589 6.907 7.279
382 HB3 CYS 50 1HB CYS 50 -2.624 5.513 6.987
383 H SER 51 H SER 51 -2.870 9.412 6.772
384 HA SER 51 HA SER 51 -1.550 10.675 4.498
385 HB2 SER 51 2HB SER 51 -2.763 12.728 5.471
386 HB3 SER 51 1HB SER 51 -3.709 11.520 4.594
387 HG SER 51 HG SER 51 -4.836 11.349 6.306
388 H THR 52 H THR 52 -0.281 9.422 6.899
389 HA THR 52 HA THR 52 1.021 11.824 7.993
390 HB THR 52 HB THR 52 1.290 9.124 9.212
391 HG1 THR 52 1HG THR 52 -0.805 10.838 10.094
392 HG21 THR 52 3HG2 THR 52 1.436 10.445 11.286
393 HG22 THR 52 1HG2 THR 52 1.114 11.913 10.358
394 HG23 THR 52 2HG2 THR 52 2.590 10.996 10.068
395 H ASP 53 H ASP 53 3.307 11.738 8.007
396 HA ASP 53 HA ASP 53 4.379 10.360 5.756
397 HB2 ASP 53 2HB ASP 53 6.495 11.379 6.158
398 HB3 ASP 53 1HB ASP 53 5.279 12.583 6.533
399 H ARG 54 H ARG 54 5.439 8.624 5.542
400 HA ARG 54 HA ARG 54 6.284 6.627 5.849
401 HB2 ARG 54 2HB ARG 54 7.108 7.748 8.528
402 HB3 ARG 54 1HB ARG 54 7.649 6.185 7.936
403 HG2 ARG 54 2HG ARG 54 8.747 7.245 6.054
404 HG3 ARG 54 1HG ARG 54 8.119 8.812 6.547
405 HD2 ARG 54 2HD ARG 54 10.438 8.583 7.220
406 HD3 ARG 54 1HD ARG 54 9.395 8.688 8.628
407 HE ARG 54 HE ARG 54 10.565 6.167 7.627
408 HH11 ARG 54 1HH1 ARG 54 9.545 8.200 10.358
409 HH12 ARG 54 2HH1 ARG 54 10.239 7.202 11.539
410 HH21 ARG 54 1HH2 ARG 54 11.562 4.826 9.273
411 HH22 ARG 54 2HH2 ARG 54 11.409 5.255 10.914
412 H CYS 55 H CYS 55 3.471 7.291 6.834
413 HA CYS 55 HA CYS 55 2.832 5.600 8.990
414 HB2 CYS 55 2HB CYS 55 0.521 5.800 8.166
415 HB3 CYS 55 1HB CYS 55 1.346 7.356 8.224
416 H ASN 56 H ASN 56 3.241 4.984 5.590
417 HA ASN 56 HA ASN 56 1.954 2.431 5.699
418 HB2 ASN 56 2HB ASN 56 2.370 2.304 3.285
419 HB3 ASN 56 1HB ASN 56 1.657 3.847 3.715
420 HD21 ASN 56 1HD2 ASN 56 2.917 3.358 1.365
421 HD22 ASN 56 2HD2 ASN 56 4.382 4.260 1.233
422 H LYS 57 H LYS 57 3.849 2.378 7.451
423 HA LYS 57 HA LYS 57 6.265 1.192 6.434
424 HB2 LYS 57 2HB LYS 57 6.903 1.032 8.872
425 HB3 LYS 57 1HB LYS 57 6.590 2.657 8.292
426 HG2 LYS 57 2HG LYS 57 4.370 2.593 9.325
427 HG3 LYS 57 1HG LYS 57 4.697 0.968 9.925
428 HD2 LYS 57 2HD LYS 57 5.063 2.583 11.707
429 HD3 LYS 57 1HD LYS 57 6.607 1.880 11.229
430 HE2 LYS 57 2HE LYS 57 7.136 3.862 9.919
431 HE3 LYS 57 1HE LYS 57 5.551 4.545 10.268
432 HZ1 LYS 57 3HZ LYS 57 7.238 5.516 11.687
433 HZ2 LYS 57 1HZ LYS 57 7.683 3.989 12.257
434 HZ3 LYS 57 2HZ LYS 57 6.171 4.607 12.609
Start of MODEL 7
1 H1 LEU 1 1HT LEU 1 5.417 15.004 2.356
2 H2 LEU 1 2HT LEU 1 3.721 15.110 2.398
3 H3 LEU 1 3HT LEU 1 4.499 14.382 1.085
4 HA LEU 1 HA LEU 1 4.607 13.385 3.837
5 HB2 LEU 1 2HB LEU 1 2.952 12.563 1.480
6 HB3 LEU 1 1HB LEU 1 3.388 11.425 2.728
7 HG LEU 1 HG LEU 1 1.813 13.954 3.214
8 HD11 LEU 1 2HD1 LEU 1 0.982 11.070 3.022
9 HD12 LEU 1 3HD1 LEU 1 0.599 12.328 1.846
10 HD13 LEU 1 1HD1 LEU 1 -0.071 12.414 3.479
11 HD21 LEU 1 1HD2 LEU 1 1.403 12.898 5.400
12 HD22 LEU 1 2HD2 LEU 1 3.123 13.199 5.131
13 HD23 LEU 1 3HD2 LEU 1 2.485 11.579 4.939
14 H LYS 2 H LYS 2 6.177 12.124 4.215
15 HA LYS 2 HA LYS 2 7.412 10.941 1.900
16 HB2 LYS 2 2HB LYS 2 9.446 10.614 3.367
17 HB3 LYS 2 1HB LYS 2 9.050 12.284 3.004
18 HG2 LYS 2 2HG LYS 2 8.017 12.508 5.211
19 HG3 LYS 2 1HG LYS 2 8.430 10.831 5.564
20 HD2 LYS 2 2HD LYS 2 10.789 11.350 5.361
21 HD3 LYS 2 1HD LYS 2 10.394 13.014 4.921
22 HE2 LYS 2 2HE LYS 2 9.670 11.704 7.535
23 HE3 LYS 2 1HE LYS 2 11.049 12.772 7.296
24 HZ1 LYS 2 3HZ LYS 2 9.561 14.549 6.727
25 HZ2 LYS 2 1HZ LYS 2 9.140 13.939 8.221
26 HZ3 LYS 2 2HZ LYS 2 8.202 13.575 6.873
27 H CYS 3 H CYS 3 6.768 9.026 1.557
28 HA CYS 3 HA CYS 3 6.292 7.224 3.790
29 HB2 CYS 3 2HB CYS 3 4.371 7.756 1.523
30 HB3 CYS 3 1HB CYS 3 4.253 6.356 2.587
31 H PHE 4 H PHE 4 5.963 4.894 2.959
32 HA PHE 4 HA PHE 4 8.379 4.339 1.506
33 HB2 PHE 4 2HB PHE 4 6.273 2.475 2.632
34 HB3 PHE 4 1HB PHE 4 7.816 1.980 1.955
35 HD1 PHE 4 2HD PHE 4 9.861 2.316 3.178
36 HD2 PHE 4 1HD PHE 4 6.116 3.474 4.847
37 HE1 PHE 4 2HE PHE 4 10.897 2.489 5.385
38 HE2 PHE 4 1HE PHE 4 7.149 3.653 7.049
39 HZ PHE 4 HZ PHE 4 9.538 3.154 7.338
40 H GLN 5 H GLN 5 7.475 5.414 -0.456
41 HA GLN 5 HA GLN 5 5.486 3.869 -1.902
42 HB2 GLN 5 2HB GLN 5 5.609 6.392 -2.082
43 HB3 GLN 5 1HB GLN 5 7.126 6.210 -2.936
44 HG2 GLN 5 2HG GLN 5 4.509 5.074 -3.937
45 HG3 GLN 5 1HG GLN 5 5.106 6.672 -4.352
46 HE21 GLN 5 1HE2 GLN 5 7.844 5.940 -4.718
47 HE22 GLN 5 2HE2 GLN 5 7.900 4.952 -6.134
48 H HIS 6 H HIS 6 8.862 4.483 -2.018
49 HA HIS 6 HA HIS 6 9.220 2.610 -4.256
50 HB2 HIS 6 2HB HIS 6 10.165 4.965 -4.319
51 HB3 HIS 6 1HB HIS 6 11.220 4.509 -2.996
52 HD1 HIS 6 1HD HIS 6 10.598 3.539 -6.659
53 HD2 HIS 6 2HD HIS 6 13.594 3.534 -3.775
54 HE1 HIS 6 1HE HIS 6 12.684 2.834 -7.844
55 H GLY 7 H GLY 7 8.649 1.973 -1.390
56 HA2 GLY 7 2HA GLY 7 9.211 0.115 -0.091
57 HA3 GLY 7 1HA GLY 7 10.746 -0.007 -0.957
58 H LYS 8 H LYS 8 11.432 2.651 -0.673
59 HA LYS 8 HA LYS 8 12.098 2.796 2.157
60 HB2 LYS 8 2HB LYS 8 13.456 3.927 -0.301
61 HB3 LYS 8 1HB LYS 8 13.832 4.492 1.313
62 HG2 LYS 8 2HG LYS 8 15.506 2.907 0.651
63 HG3 LYS 8 1HG LYS 8 14.523 2.195 1.923
64 HD2 LYS 8 2HD LYS 8 14.964 0.514 0.272
65 HD3 LYS 8 1HD LYS 8 13.263 0.958 0.153
66 HE2 LYS 8 2HE LYS 8 13.808 2.418 -1.761
67 HE3 LYS 8 1HE LYS 8 15.495 1.916 -1.639
68 HZ1 LYS 8 3HZ LYS 8 14.727 -0.390 -2.043
69 HZ2 LYS 8 1HZ LYS 8 14.400 0.631 -3.334
70 HZ3 LYS 8 2HZ LYS 8 13.171 0.180 -2.301
71 H VAL 9 H VAL 9 12.181 5.011 3.005
72 HA VAL 9 HA VAL 9 9.729 6.359 2.583
73 HB VAL 9 HB VAL 9 12.219 7.250 4.075
74 HG11 VAL 9 1HG1 VAL 9 10.701 8.739 5.309
75 HG12 VAL 9 2HG1 VAL 9 9.392 8.281 4.214
76 HG13 VAL 9 3HG1 VAL 9 10.812 9.131 3.594
77 HG21 VAL 9 3HG2 VAL 9 9.732 5.887 5.072
78 HG22 VAL 9 1HG2 VAL 9 11.052 6.480 6.077
79 HG23 VAL 9 2HG2 VAL 9 11.330 5.162 4.936
80 H VAL 10 H VAL 10 9.318 7.609 0.887
81 HA VAL 10 HA VAL 10 11.459 9.276 -0.168
82 HB VAL 10 HB VAL 10 10.610 8.920 -2.463
83 HG11 VAL 10 1HG1 VAL 10 11.397 6.383 -1.043
84 HG12 VAL 10 2HG1 VAL 10 12.498 7.595 -1.697
85 HG13 VAL 10 3HG1 VAL 10 11.479 6.645 -2.784
86 HG21 VAL 10 3HG2 VAL 10 8.878 6.798 -1.202
87 HG22 VAL 10 1HG2 VAL 10 9.105 7.041 -2.934
88 HG23 VAL 10 2HG2 VAL 10 8.319 8.288 -1.961
89 H THR 11 H THR 11 10.772 11.191 -1.178
90 HA THR 11 HA THR 11 8.609 12.434 0.189
91 HB THR 11 HB THR 11 10.299 13.508 -2.069
92 HG1 THR 11 1HG THR 11 10.874 13.967 0.635
93 HG21 THR 11 3HG2 THR 11 8.356 14.888 -1.475
94 HG22 THR 11 1HG2 THR 11 9.852 15.671 -0.967
95 HG23 THR 11 2HG2 THR 11 8.835 14.852 0.221
96 H CYS 12 H CYS 12 6.602 11.931 -0.484
97 HA CYS 12 HA CYS 12 5.975 11.433 -3.233
98 HB2 CYS 12 2HB CYS 12 4.223 11.597 -0.765
99 HB3 CYS 12 1HB CYS 12 3.712 10.993 -2.347
100 H HIS 13 H HIS 13 4.587 12.686 -4.521
101 HA HIS 13 HA HIS 13 5.370 15.403 -4.522
102 HB2 HIS 13 2HB HIS 13 4.779 13.846 -6.508
103 HB3 HIS 13 1HB HIS 13 3.118 14.299 -6.191
104 HD1 HIS 13 1HD HIS 13 2.351 16.223 -7.734
105 HD2 HIS 13 2HD HIS 13 6.433 16.354 -6.844
106 HE1 HIS 13 1HE HIS 13 3.284 18.144 -9.001
107 H ARG 14 H ARG 14 3.821 17.234 -4.861
108 HA ARG 14 HA ARG 14 2.421 17.948 -2.585
109 HB2 ARG 14 2HB ARG 14 1.578 19.832 -3.852
110 HB3 ARG 14 1HB ARG 14 3.251 19.532 -4.308
111 HG2 ARG 14 2HG ARG 14 2.543 18.410 -6.327
112 HG3 ARG 14 1HG ARG 14 0.860 18.550 -5.854
113 HD2 ARG 14 2HD ARG 14 1.125 21.030 -5.971
114 HD3 ARG 14 1HD ARG 14 2.742 20.764 -6.638
115 HE ARG 14 HE ARG 14 0.681 19.312 -7.994
116 HH11 ARG 14 1HH1 ARG 14 2.385 22.423 -7.905
117 HH12 ARG 14 2HH1 ARG 14 1.980 22.835 -9.495
118 HH21 ARG 14 1HH2 ARG 14 0.135 19.915 -10.213
119 HH22 ARG 14 2HH2 ARG 14 0.707 21.393 -10.831
120 H ASP 15 H ASP 15 1.301 16.074 -5.253
121 HA ASP 15 HA ASP 15 -1.514 16.706 -4.891
122 HB2 ASP 15 2HB ASP 15 -0.254 14.570 -6.603
123 HB3 ASP 15 1HB ASP 15 -1.924 15.102 -6.673
124 H MET 16 H MET 16 0.804 14.418 -3.925
125 HA MET 16 HA MET 16 -1.005 12.342 -3.295
126 HB2 MET 16 2HB MET 16 1.955 12.710 -2.825
127 HB3 MET 16 1HB MET 16 1.103 11.365 -2.122
128 HG2 MET 16 2HG MET 16 2.106 10.645 -4.096
129 HG3 MET 16 1HG MET 16 0.364 10.699 -4.328
130 HE1 MET 16 3HE MET 16 1.665 11.367 -7.858
131 HE2 MET 16 1HE MET 16 0.521 10.511 -6.805
132 HE3 MET 16 2HE MET 16 2.253 10.274 -6.580
133 H LYS 17 H LYS 17 -2.393 12.735 -1.892
134 HA LYS 17 HA LYS 17 -1.855 14.311 0.513
135 HB2 LYS 17 2HB LYS 17 -4.400 13.029 -0.446
136 HB3 LYS 17 1HB LYS 17 -4.249 14.252 0.808
137 HG2 LYS 17 2HG LYS 17 -3.641 15.899 -0.813
138 HG3 LYS 17 1HG LYS 17 -3.556 14.674 -2.082
139 HD2 LYS 17 2HD LYS 17 -5.976 14.198 -1.666
140 HD3 LYS 17 1HD LYS 17 -6.008 15.598 -0.590
141 HE2 LYS 17 2HE LYS 17 -6.807 16.148 -2.835
142 HE3 LYS 17 1HE LYS 17 -5.349 17.044 -2.432
143 HZ1 LYS 17 3HZ LYS 17 -4.068 15.384 -3.727
144 HZ2 LYS 17 1HZ LYS 17 -5.219 16.173 -4.671
145 HZ3 LYS 17 2HZ LYS 17 -5.514 14.616 -4.139
146 H PHE 18 H PHE 18 -2.171 11.085 -0.610
147 HA PHE 18 HA PHE 18 -2.477 10.107 2.146
148 HB2 PHE 18 2HB PHE 18 -3.668 8.877 -0.333
149 HB3 PHE 18 1HB PHE 18 -3.840 8.303 1.315
150 HD1 PHE 18 2HD PHE 18 -5.334 9.435 2.863
151 HD2 PHE 18 1HD PHE 18 -4.943 10.741 -1.175
152 HE1 PHE 18 2HE PHE 18 -7.394 10.734 3.077
153 HE2 PHE 18 1HE PHE 18 -7.008 12.041 -0.955
154 HZ PHE 18 HZ PHE 18 -8.235 12.042 1.177
155 H CYS 19 H CYS 19 -1.291 8.345 2.596
156 HA CYS 19 HA CYS 19 0.435 7.259 0.507
157 HB2 CYS 19 2HB CYS 19 0.592 6.932 3.529
158 HB3 CYS 19 1HB CYS 19 1.796 6.426 2.339
159 H TYR 20 H TYR 20 0.117 5.023 0.034
160 HA TYR 20 HA TYR 20 -2.166 3.907 1.478
161 HB2 TYR 20 2HB TYR 20 -3.202 3.067 -0.517
162 HB3 TYR 20 1HB TYR 20 -2.951 4.792 -0.693
163 HD1 TYR 20 1HD TYR 20 -1.989 1.454 -1.915
164 HD2 TYR 20 2HD TYR 20 -1.398 5.632 -2.373
165 HE1 TYR 20 1HE TYR 20 -0.930 1.047 -4.074
166 HE2 TYR 20 2HE TYR 20 -0.334 5.243 -4.551
167 HH TYR 20 HH TYR 20 -0.556 2.396 -6.222
168 H HIS 21 H HIS 21 -2.380 1.797 1.580
169 HA HIS 21 HA HIS 21 -0.220 0.103 0.606
170 HB2 HIS 21 2HB HIS 21 0.131 0.358 3.044
171 HB3 HIS 21 1HB HIS 21 -1.550 -0.069 3.337
172 HD1 HIS 21 1HD HIS 21 -0.859 -2.166 4.811
173 HD2 HIS 21 2HD HIS 21 0.543 -2.283 0.895
174 HE1 HIS 21 1HE HIS 21 0.030 -4.489 4.445
175 H ASN 22 H ASN 22 -1.250 -0.814 -0.995
176 HA ASN 22 HA ASN 22 -3.995 -1.702 -0.663
177 HB2 ASN 22 2HB ASN 22 -3.317 -0.576 -2.765
178 HB3 ASN 22 1HB ASN 22 -2.140 -1.837 -3.072
179 HD21 ASN 22 1HD2 ASN 22 -2.968 -3.970 -3.528
180 HD22 ASN 22 2HD2 ASN 22 -4.572 -4.163 -4.152
181 H THR 23 H THR 23 -4.085 -3.391 0.492
182 HA THR 23 HA THR 23 -1.952 -5.176 0.896
183 HB THR 23 HB THR 23 -3.626 -6.471 2.254
184 HG1 THR 23 1HG THR 23 -5.380 -4.316 1.581
185 HG21 THR 23 3HG2 THR 23 -3.531 -3.496 2.755
186 HG22 THR 23 1HG2 THR 23 -2.308 -4.663 3.259
187 HG23 THR 23 2HG2 THR 23 -3.930 -4.728 3.952
188 H GLY 24 H GLY 24 -4.946 -5.433 -0.938
189 HA2 GLY 24 2HA GLY 24 -5.464 -6.804 -2.674
190 HA3 GLY 24 1HA GLY 24 -3.837 -7.483 -2.594
191 H MET 25 H MET 25 -4.675 -9.555 -2.789
192 HA MET 25 HA MET 25 -6.396 -10.538 -0.700
193 HB2 MET 25 2HB MET 25 -5.045 -11.948 -3.013
194 HB3 MET 25 1HB MET 25 -6.053 -12.761 -1.837
195 HG2 MET 25 2HG MET 25 -7.332 -12.395 -3.794
196 HG3 MET 25 1HG MET 25 -7.945 -11.330 -2.535
197 HE1 MET 25 3HE MET 25 -5.493 -9.950 -6.219
198 HE2 MET 25 1HE MET 25 -6.025 -11.607 -5.946
199 HE3 MET 25 2HE MET 25 -4.767 -10.903 -4.928
200 HA PRO 26 HA PRO 26 -3.037 -11.750 1.922
201 HB2 PRO 26 2HB PRO 26 -4.278 -13.807 3.258
202 HB3 PRO 26 1HB PRO 26 -4.537 -12.102 3.643
203 HG2 PRO 26 2HG PRO 26 -6.218 -13.948 2.009
204 HG3 PRO 26 1HG PRO 26 -6.721 -12.719 3.187
205 HD2 PRO 26 2HD PRO 26 -6.816 -12.300 0.515
206 HD3 PRO 26 1HD PRO 26 -6.471 -10.991 1.668
207 H PHE 27 H PHE 27 -1.421 -12.791 1.012
208 HA PHE 27 HA PHE 27 -1.953 -15.440 -0.078
209 HB2 PHE 27 2HB PHE 27 -0.017 -13.377 -1.120
210 HB3 PHE 27 1HB PHE 27 -0.013 -15.063 -1.619
211 HD1 PHE 27 2HD PHE 27 -2.530 -15.878 -2.302
212 HD2 PHE 27 1HD PHE 27 -0.992 -11.924 -2.589
213 HE1 PHE 27 2HE PHE 27 -4.171 -15.377 -4.053
214 HE2 PHE 27 1HE PHE 27 -2.627 -11.412 -4.346
215 HZ PHE 27 HZ PHE 27 -4.228 -13.151 -5.085
216 H ARG 28 H ARG 28 -0.611 -17.009 0.354
217 HA ARG 28 HA ARG 28 1.109 -16.622 2.665
218 HB2 ARG 28 2HB ARG 28 0.217 -19.121 1.240
219 HB3 ARG 28 1HB ARG 28 1.038 -19.048 2.794
220 HG2 ARG 28 2HG ARG 28 -0.844 -18.009 3.822
221 HG3 ARG 28 1HG ARG 28 -1.639 -17.794 2.264
222 HD2 ARG 28 2HD ARG 28 -1.656 -20.253 2.019
223 HD3 ARG 28 1HD ARG 28 -1.056 -20.388 3.673
224 HE ARG 28 HE ARG 28 -3.186 -18.919 4.078
225 HH11 ARG 28 1HH1 ARG 28 -2.855 -21.680 1.904
226 HH12 ARG 28 2HH1 ARG 28 -4.468 -22.194 2.075
227 HH21 ARG 28 1HH2 ARG 28 -5.403 -19.602 4.307
228 HH22 ARG 28 2HH2 ARG 28 -5.975 -20.959 3.458
229 H ASN 29 H ASN 29 3.220 -16.558 2.499
230 HA ASN 29 HA ASN 29 5.346 -16.686 1.770
231 HB2 ASN 29 2HB ASN 29 4.766 -19.124 1.360
232 HB3 ASN 29 1HB ASN 29 4.386 -18.696 -0.300
233 HD21 ASN 29 1HD2 ASN 29 5.966 -20.000 -1.162
234 HD22 ASN 29 2HD2 ASN 29 7.655 -19.672 -0.978
235 H LEU 30 H LEU 30 3.266 -14.933 0.576
236 HA LEU 30 HA LEU 30 4.920 -13.969 -1.600
237 HB2 LEU 30 2HB LEU 30 3.179 -15.287 -2.713
238 HB3 LEU 30 1HB LEU 30 1.943 -14.397 -1.849
239 HG LEU 30 HG LEU 30 2.708 -12.321 -3.010
240 HD11 LEU 30 1HD1 LEU 30 4.056 -12.533 -5.029
241 HD12 LEU 30 2HD1 LEU 30 4.367 -14.227 -4.639
242 HD13 LEU 30 3HD1 LEU 30 4.954 -12.949 -3.571
243 HD21 LEU 30 3HD2 LEU 30 1.661 -12.852 -5.153
244 HD22 LEU 30 1HD2 LEU 30 0.759 -13.513 -3.793
245 HD23 LEU 30 2HD2 LEU 30 1.769 -14.577 -4.780
246 H LYS 31 H LYS 31 5.107 -11.843 -1.537
247 HA LYS 31 HA LYS 31 3.263 -10.391 0.185
248 HB2 LYS 31 2HB LYS 31 6.157 -9.846 -0.458
249 HB3 LYS 31 1HB LYS 31 5.108 -8.609 0.216
250 HG2 LYS 31 2HG LYS 31 5.736 -11.259 1.505
251 HG3 LYS 31 1HG LYS 31 6.457 -9.704 1.937
252 HD2 LYS 31 2HD LYS 31 4.225 -8.844 2.498
253 HD3 LYS 31 1HD LYS 31 3.525 -10.405 2.099
254 HE2 LYS 31 2HE LYS 31 4.859 -11.444 3.874
255 HE3 LYS 31 1HE LYS 31 5.507 -9.856 4.292
256 HZ1 LYS 31 3HZ LYS 31 3.650 -10.421 5.734
257 HZ2 LYS 31 1HZ LYS 31 2.649 -10.644 4.392
258 HZ3 LYS 31 2HZ LYS 31 3.242 -9.119 4.739
259 H LEU 32 H LEU 32 1.725 -9.758 -1.081
260 HA LEU 32 HA LEU 32 2.292 -8.664 -3.690
261 HB2 LEU 32 2HB LEU 32 0.245 -10.035 -3.240
262 HB3 LEU 32 1HB LEU 32 -0.315 -8.821 -2.117
263 HG LEU 32 HG LEU 32 -1.500 -8.853 -4.330
264 HD11 LEU 32 1HD1 LEU 32 -0.074 -6.273 -3.732
265 HD12 LEU 32 2HD1 LEU 32 -1.584 -6.826 -3.005
266 HD13 LEU 32 3HD1 LEU 32 -1.520 -6.448 -4.727
267 HD21 LEU 32 3HD2 LEU 32 1.123 -7.837 -5.398
268 HD22 LEU 32 1HD2 LEU 32 -0.392 -7.925 -6.292
269 HD23 LEU 32 2HD2 LEU 32 0.400 -9.407 -5.746
270 H ILE 33 H ILE 33 3.210 -6.761 -3.685
271 HA ILE 33 HA ILE 33 2.440 -4.909 -1.582
272 HB ILE 33 HB ILE 33 5.128 -5.361 -2.832
273 HG12 ILE 33 2HG1 ILE 33 4.592 -6.720 -0.901
274 HG13 ILE 33 1HG1 ILE 33 5.840 -5.549 -0.481
275 HG21 ILE 33 1HG2 ILE 33 6.000 -3.403 -1.652
276 HG22 ILE 33 2HG2 ILE 33 4.367 -2.966 -1.157
277 HG23 ILE 33 3HG2 ILE 33 4.805 -2.939 -2.866
278 HD11 ILE 33 3HD1 ILE 33 4.280 -5.668 1.336
279 HD12 ILE 33 1HD1 ILE 33 2.912 -5.410 0.241
280 HD13 ILE 33 2HD1 ILE 33 4.057 -4.119 0.499
281 H LEU 34 H LEU 34 1.242 -3.465 -2.159
282 HA LEU 34 HA LEU 34 1.985 -1.802 -4.402
283 HB2 LEU 34 2HB LEU 34 -0.730 -2.830 -3.687
284 HB3 LEU 34 1HB LEU 34 -0.551 -1.383 -4.691
285 HG LEU 34 HG LEU 34 0.330 -4.208 -5.330
286 HD11 LEU 34 1HD1 LEU 34 -1.888 -2.522 -6.478
287 HD12 LEU 34 2HD1 LEU 34 -2.084 -3.924 -5.425
288 HD13 LEU 34 3HD1 LEU 34 -1.414 -4.123 -7.044
289 HD21 LEU 34 3HD2 LEU 34 1.851 -2.602 -6.347
290 HD22 LEU 34 1HD2 LEU 34 0.481 -1.702 -7.007
291 HD23 LEU 34 2HD2 LEU 34 0.822 -3.336 -7.572
292 H GLN 35 H GLN 35 3.108 -0.831 -2.682
293 HA GLN 35 HA GLN 35 1.472 0.743 -0.801
294 HB2 GLN 35 2HB GLN 35 4.359 -0.101 -0.651
295 HB3 GLN 35 1HB GLN 35 3.531 0.874 0.554
296 HG2 GLN 35 2HG GLN 35 2.133 -0.965 1.137
297 HG3 GLN 35 1HG GLN 35 2.774 -1.942 -0.183
298 HE21 GLN 35 1HE2 GLN 35 5.544 -1.013 0.315
299 HE22 GLN 35 2HE2 GLN 35 6.030 -1.828 1.752
300 H GLY 36 H GLY 36 1.266 2.743 -1.638
301 HA2 GLY 36 2HA GLY 36 3.697 4.042 -2.529
302 HA3 GLY 36 1HA GLY 36 2.368 3.974 -3.681
303 H CYS 37 H CYS 37 2.314 6.231 -3.697
304 HA CYS 37 HA CYS 37 0.804 7.285 -1.450
305 HB2 CYS 37 2HB CYS 37 2.912 8.829 -3.031
306 HB3 CYS 37 1HB CYS 37 1.782 9.518 -1.889
307 H SER 38 H SER 38 -0.958 8.452 -1.994
308 HA SER 38 HA SER 38 -1.594 8.372 -4.842
309 HB2 SER 38 2HB SER 38 -2.670 6.515 -3.717
310 HB3 SER 38 1HB SER 38 -3.381 7.607 -2.532
311 HG SER 38 HG SER 38 -4.077 7.076 -5.153
312 H SER 39 H SER 39 -2.794 9.957 -5.651
313 HA SER 39 HA SER 39 -2.902 12.451 -4.202
314 HB2 SER 39 2HB SER 39 -3.715 11.770 -7.034
315 HB3 SER 39 1HB SER 39 -3.400 13.383 -6.379
316 HG SER 39 HG SER 39 -1.615 11.302 -6.986
317 H SER 40 H SER 40 -5.036 9.929 -5.357
318 HA SER 40 HA SER 40 -7.252 11.108 -3.916
319 HB2 SER 40 2HB SER 40 -7.410 10.051 -6.767
320 HB3 SER 40 1HB SER 40 -8.756 10.696 -5.825
321 HG SER 40 HG SER 40 -7.090 12.587 -5.690
322 H CYS 41 H CYS 41 -7.569 9.496 -2.435
323 HA CYS 41 HA CYS 41 -6.860 6.769 -3.293
324 HB2 CYS 41 2HB CYS 41 -5.276 7.991 -1.746
325 HB3 CYS 41 1HB CYS 41 -6.535 7.904 -0.530
326 H SER 42 H SER 42 -8.227 5.147 -2.799
327 HA SER 42 HA SER 42 -10.754 5.874 -1.579
328 HB2 SER 42 2HB SER 42 -9.962 3.464 -3.224
329 HB3 SER 42 1HB SER 42 -11.583 3.774 -2.595
330 HG SER 42 HG SER 42 -10.162 5.090 -4.624
331 H GLU 43 H GLU 43 -10.732 5.656 0.490
332 HA GLU 43 HA GLU 43 -9.089 3.948 2.006
333 HB2 GLU 43 2HB GLU 43 -11.578 5.495 2.704
334 HB3 GLU 43 1HB GLU 43 -10.536 4.709 3.884
335 HG2 GLU 43 2HG GLU 43 -8.744 6.113 3.393
336 HG3 GLU 43 1HG GLU 43 -9.515 6.757 1.944
337 H THR 44 H THR 44 -9.296 1.840 1.842
338 HA THR 44 HA THR 44 -11.903 0.613 2.309
339 HB THR 44 HB THR 44 -11.189 -1.151 0.561
340 HG1 THR 44 1HG THR 44 -9.485 1.014 -0.091
341 HG21 THR 44 3HG2 THR 44 -12.152 0.100 -1.315
342 HG22 THR 44 1HG2 THR 44 -11.890 1.614 -0.445
343 HG23 THR 44 2HG2 THR 44 -13.037 0.433 0.176
344 H GLU 45 H GLU 45 -11.443 -1.878 2.709
345 HA GLU 45 HA GLU 45 -9.399 -2.053 4.693
346 HB2 GLU 45 2HB GLU 45 -11.525 -3.306 4.840
347 HB3 GLU 45 1HB GLU 45 -11.090 -4.210 3.398
348 HG2 GLU 45 2HG GLU 45 -10.730 -5.501 5.432
349 HG3 GLU 45 1HG GLU 45 -9.229 -5.211 4.555
350 H ASN 46 H ASN 46 -9.869 -3.091 1.421
351 HA ASN 46 HA ASN 46 -7.490 -4.515 1.025
352 HB2 ASN 46 2HB ASN 46 -9.309 -4.635 -0.587
353 HB3 ASN 46 1HB ASN 46 -9.153 -2.913 -0.931
354 HD21 ASN 46 1HD2 ASN 46 -8.741 -3.243 -3.121
355 HD22 ASN 46 2HD2 ASN 46 -7.248 -3.930 -3.672
356 H ASN 47 H ASN 47 -8.252 -1.131 0.123
357 HA ASN 47 HA ASN 47 -5.389 -0.655 0.091
358 HB2 ASN 47 2HB ASN 47 -6.407 -0.308 -2.051
359 HB3 ASN 47 1HB ASN 47 -7.651 0.727 -1.353
360 HD21 ASN 47 1HD2 ASN 47 -7.151 2.808 -0.837
361 HD22 ASN 47 2HD2 ASN 47 -5.687 3.562 -1.317
362 H LYS 48 H LYS 48 -4.780 0.050 1.890
363 HA LYS 48 HA LYS 48 -6.460 1.636 3.637
364 HB2 LYS 48 2HB LYS 48 -5.090 -0.168 4.574
365 HB3 LYS 48 1HB LYS 48 -3.641 0.600 3.946
366 HG2 LYS 48 2HG LYS 48 -4.035 2.531 5.414
367 HG3 LYS 48 1HG LYS 48 -5.469 1.733 6.053
368 HD2 LYS 48 2HD LYS 48 -3.617 1.430 7.596
369 HD3 LYS 48 1HD LYS 48 -4.033 -0.119 6.869
370 HE2 LYS 48 2HE LYS 48 -2.155 0.086 5.324
371 HE3 LYS 48 1HE LYS 48 -1.757 1.670 5.988
372 HZ1 LYS 48 3HZ LYS 48 -0.331 -0.019 6.947
373 HZ2 LYS 48 1HZ LYS 48 -1.666 -0.922 7.439
374 HZ3 LYS 48 2HZ LYS 48 -1.345 0.575 8.131
375 H CYS 49 H CYS 49 -6.509 3.758 3.370
376 HA CYS 49 HA CYS 49 -4.143 5.162 2.334
377 HB2 CYS 49 2HB CYS 49 -6.912 6.292 2.732
378 HB3 CYS 49 1HB CYS 49 -5.606 6.961 1.773
379 H CYS 50 H CYS 50 -3.031 6.449 3.702
380 HA CYS 50 HA CYS 50 -4.338 7.449 6.103
381 HB2 CYS 50 2HB CYS 50 -2.230 6.903 7.368
382 HB3 CYS 50 1HB CYS 50 -3.169 5.494 6.882
383 H SER 51 H SER 51 -3.245 9.410 6.915
384 HA SER 51 HA SER 51 -1.389 10.489 4.962
385 HB2 SER 51 2HB SER 51 -2.449 12.757 5.352
386 HB3 SER 51 1HB SER 51 -3.415 11.610 4.422
387 HG SER 51 HG SER 51 -3.803 11.570 7.163
388 H THR 52 H THR 52 0.116 9.613 6.509
389 HA THR 52 HA THR 52 1.008 11.757 8.208
390 HB THR 52 HB THR 52 1.048 8.939 9.270
391 HG1 THR 52 1HG THR 52 -1.048 10.781 9.239
392 HG21 THR 52 3HG2 THR 52 1.229 11.637 10.617
393 HG22 THR 52 1HG2 THR 52 2.571 10.540 10.296
394 HG23 THR 52 2HG2 THR 52 1.314 10.084 11.448
395 H ASP 53 H ASP 53 3.298 11.510 8.486
396 HA ASP 53 HA ASP 53 4.506 10.432 6.155
397 HB2 ASP 53 2HB ASP 53 5.746 11.639 8.636
398 HB3 ASP 53 1HB ASP 53 6.693 11.072 7.269
399 H ARG 54 H ARG 54 5.279 8.581 5.773
400 HA ARG 54 HA ARG 54 6.045 6.483 5.884
401 HB2 ARG 54 2HB ARG 54 6.635 7.034 8.790
402 HB3 ARG 54 1HB ARG 54 7.218 5.648 7.891
403 HG2 ARG 54 2HG ARG 54 8.512 7.164 6.454
404 HG3 ARG 54 1HG ARG 54 7.932 8.532 7.408
405 HD2 ARG 54 2HD ARG 54 10.108 7.930 8.196
406 HD3 ARG 54 1HD ARG 54 8.933 7.476 9.429
407 HE ARG 54 HE ARG 54 10.069 5.547 7.514
408 HH11 ARG 54 1HH1 ARG 54 9.132 6.334 10.854
409 HH12 ARG 54 2HH1 ARG 54 9.822 4.945 11.521
410 HH21 ARG 54 1HH2 ARG 54 11.048 3.571 8.497
411 HH22 ARG 54 2HH2 ARG 54 10.914 3.370 10.165
412 H CYS 55 H CYS 55 3.177 7.214 6.775
413 HA CYS 55 HA CYS 55 2.504 5.306 8.773
414 HB2 CYS 55 2HB CYS 55 0.172 5.802 8.256
415 HB3 CYS 55 1HB CYS 55 1.136 7.265 8.412
416 H ASN 56 H ASN 56 2.995 4.906 5.402
417 HA ASN 56 HA ASN 56 1.284 2.552 5.252
418 HB2 ASN 56 2HB ASN 56 1.730 2.527 2.881
419 HB3 ASN 56 1HB ASN 56 1.385 4.181 3.349
420 HD21 ASN 56 1HD2 ASN 56 2.720 3.193 1.053
421 HD22 ASN 56 2HD2 ASN 56 4.323 3.819 1.018
422 H LYS 57 H LYS 57 3.395 2.459 7.024
423 HA LYS 57 HA LYS 57 5.641 1.050 5.999
424 HB2 LYS 57 2HB LYS 57 6.198 0.646 8.417
425 HB3 LYS 57 1HB LYS 57 5.982 2.334 7.993
426 HG2 LYS 57 2HG LYS 57 3.758 2.302 8.944
427 HG3 LYS 57 1HG LYS 57 3.944 0.599 9.363
428 HD2 LYS 57 2HD LYS 57 4.342 1.952 11.328
429 HD3 LYS 57 1HD LYS 57 5.862 1.223 10.820
430 HE2 LYS 57 2HE LYS 57 6.572 3.299 9.801
431 HE3 LYS 57 1HE LYS 57 5.008 4.039 10.131
432 HZ1 LYS 57 3HZ LYS 57 6.653 4.738 11.754
433 HZ2 LYS 57 1HZ LYS 57 6.985 3.147 12.166
434 HZ3 LYS 57 2HZ LYS 57 5.486 3.814 12.512
Start of MODEL 8
1 H1 LEU 1 1HT LEU 1 4.994 15.145 1.766
2 H2 LEU 1 2HT LEU 1 5.770 15.173 3.263
3 H3 LEU 1 3HT LEU 1 4.105 15.436 3.180
4 HA LEU 1 HA LEU 1 4.678 13.235 3.955
5 HB2 LEU 1 2HB LEU 1 3.265 13.497 1.357
6 HB3 LEU 1 1HB LEU 1 3.493 11.930 2.096
7 HG LEU 1 HG LEU 1 1.972 14.249 3.276
8 HD11 LEU 1 2HD1 LEU 1 1.221 11.563 2.245
9 HD12 LEU 1 3HD1 LEU 1 0.920 13.092 1.408
10 HD13 LEU 1 1HD1 LEU 1 0.092 12.741 2.940
11 HD21 LEU 1 1HD2 LEU 1 1.356 12.602 5.008
12 HD22 LEU 1 2HD2 LEU 1 3.068 12.982 5.040
13 HD23 LEU 1 3HD2 LEU 1 2.524 11.469 4.330
14 H LYS 2 H LYS 2 6.432 12.245 4.098
15 HA LYS 2 HA LYS 2 7.436 11.052 1.654
16 HB2 LYS 2 2HB LYS 2 9.614 10.630 2.882
17 HB3 LYS 2 1HB LYS 2 9.254 12.313 2.530
18 HG2 LYS 2 2HG LYS 2 8.552 12.620 4.850
19 HG3 LYS 2 1HG LYS 2 8.966 10.936 5.182
20 HD2 LYS 2 2HD LYS 2 11.277 11.353 4.593
21 HD3 LYS 2 1HD LYS 2 10.893 13.012 4.140
22 HE2 LYS 2 2HE LYS 2 11.906 12.956 6.335
23 HE3 LYS 2 1HE LYS 2 10.227 13.472 6.456
24 HZ1 LYS 2 3HZ LYS 2 9.631 11.222 7.145
25 HZ2 LYS 2 1HZ LYS 2 10.783 11.903 8.170
26 HZ3 LYS 2 2HZ LYS 2 11.252 10.749 7.042
27 H CYS 3 H CYS 3 7.013 9.048 1.352
28 HA CYS 3 HA CYS 3 6.375 7.415 3.660
29 HB2 CYS 3 2HB CYS 3 4.510 7.891 1.330
30 HB3 CYS 3 1HB CYS 3 4.307 6.581 2.494
31 H PHE 4 H PHE 4 5.957 5.050 2.949
32 HA PHE 4 HA PHE 4 8.400 4.399 1.548
33 HB2 PHE 4 2HB PHE 4 6.395 2.580 2.899
34 HB3 PHE 4 1HB PHE 4 7.967 2.114 2.278
35 HD1 PHE 4 1HD PHE 4 10.014 2.951 3.411
36 HD2 PHE 4 2HD PHE 4 6.130 3.499 5.029
37 HE1 PHE 4 1HE PHE 4 10.997 3.369 5.610
38 HE2 PHE 4 2HE PHE 4 7.109 3.924 7.236
39 HZ PHE 4 HZ PHE 4 9.548 3.857 7.535
40 H GLN 5 H GLN 5 7.652 5.006 -0.574
41 HA GLN 5 HA GLN 5 5.404 3.579 -1.702
42 HB2 GLN 5 2HB GLN 5 6.066 5.731 -2.681
43 HB3 GLN 5 1HB GLN 5 7.626 5.053 -3.124
44 HG2 GLN 5 2HG GLN 5 6.549 3.528 -4.680
45 HG3 GLN 5 1HG GLN 5 4.968 4.146 -4.228
46 HE21 GLN 5 1HE2 GLN 5 7.832 6.132 -4.672
47 HE22 GLN 5 2HE2 GLN 5 7.248 6.959 -6.065
48 H HIS 6 H HIS 6 8.855 3.171 -1.771
49 HA HIS 6 HA HIS 6 8.537 0.652 -3.278
50 HB2 HIS 6 2HB HIS 6 11.046 2.262 -2.729
51 HB3 HIS 6 1HB HIS 6 10.958 0.808 -3.710
52 HD1 HIS 6 1HD HIS 6 10.154 1.091 -6.129
53 HD2 HIS 6 2HD HIS 6 9.988 4.573 -3.885
54 HE1 HIS 6 1HE HIS 6 9.688 2.966 -7.772
55 H GLY 7 H GLY 7 8.229 1.366 -0.290
56 HA2 GLY 7 2HA GLY 7 8.617 0.128 1.661
57 HA3 GLY 7 1HA GLY 7 9.831 -0.814 0.797
58 H LYS 8 H LYS 8 10.628 1.972 -0.163
59 HA LYS 8 HA LYS 8 12.494 2.658 1.995
60 HB2 LYS 8 2HB LYS 8 12.518 3.393 -0.946
61 HB3 LYS 8 1HB LYS 8 13.772 3.779 0.221
62 HG2 LYS 8 2HG LYS 8 14.332 1.442 0.458
63 HG3 LYS 8 1HG LYS 8 12.989 0.986 -0.592
64 HD2 LYS 8 2HD LYS 8 14.024 2.229 -2.434
65 HD3 LYS 8 1HD LYS 8 15.376 2.649 -1.383
66 HE2 LYS 8 2HE LYS 8 15.972 0.314 -1.162
67 HE3 LYS 8 1HE LYS 8 14.563 -0.167 -2.108
68 HZ1 LYS 8 3HZ LYS 8 16.576 -0.176 -3.431
69 HZ2 LYS 8 1HZ LYS 8 16.844 1.457 -3.107
70 HZ3 LYS 8 2HZ LYS 8 15.500 0.969 -4.010
71 H VAL 9 H VAL 9 12.679 4.950 2.470
72 HA VAL 9 HA VAL 9 10.143 6.282 2.431
73 HB VAL 9 HB VAL 9 12.795 7.418 3.320
74 HG11 VAL 9 1HG1 VAL 9 9.968 8.138 4.055
75 HG12 VAL 9 2HG1 VAL 9 11.061 9.060 3.025
76 HG13 VAL 9 3HG1 VAL 9 11.420 8.870 4.738
77 HG21 VAL 9 3HG2 VAL 9 10.797 5.865 4.966
78 HG22 VAL 9 1HG2 VAL 9 12.222 6.693 5.595
79 HG23 VAL 9 2HG2 VAL 9 12.409 5.320 4.504
80 H VAL 10 H VAL 10 9.506 7.244 0.586
81 HA VAL 10 HA VAL 10 11.450 8.989 -0.709
82 HB VAL 10 HB VAL 10 10.390 8.607 -2.885
83 HG11 VAL 10 1HG1 VAL 10 11.163 6.325 -3.324
84 HG12 VAL 10 2HG1 VAL 10 11.257 6.033 -1.586
85 HG13 VAL 10 3HG1 VAL 10 12.305 7.236 -2.336
86 HG21 VAL 10 3HG2 VAL 10 8.735 6.507 -1.493
87 HG22 VAL 10 1HG2 VAL 10 8.779 6.809 -3.230
88 HG23 VAL 10 2HG2 VAL 10 8.142 8.040 -2.135
89 H THR 11 H THR 11 10.537 10.897 -1.592
90 HA THR 11 HA THR 11 8.384 11.818 0.071
91 HB THR 11 HB THR 11 9.960 13.321 -2.037
92 HG1 THR 11 1HG THR 11 10.964 12.227 0.020
93 HG21 THR 11 3HG2 THR 11 8.379 14.279 0.365
94 HG22 THR 11 1HG2 THR 11 7.865 14.425 -1.315
95 HG23 THR 11 2HG2 THR 11 9.286 15.302 -0.748
96 H CYS 12 H CYS 12 6.319 12.015 -0.545
97 HA CYS 12 HA CYS 12 5.448 11.025 -3.071
98 HB2 CYS 12 2HB CYS 12 3.905 12.450 -0.892
99 HB3 CYS 12 1HB CYS 12 3.217 11.502 -2.204
100 H HIS 13 H HIS 13 4.060 12.308 -4.546
101 HA HIS 13 HA HIS 13 5.406 14.705 -5.271
102 HB2 HIS 13 2HB HIS 13 4.300 12.953 -6.811
103 HB3 HIS 13 1HB HIS 13 2.782 13.744 -6.421
104 HD1 HIS 13 1HD HIS 13 2.165 15.794 -7.961
105 HD2 HIS 13 2HD HIS 13 6.181 14.656 -8.146
106 HE1 HIS 13 1HE HIS 13 3.197 17.180 -9.714
107 H ARG 14 H ARG 14 4.164 16.717 -5.785
108 HA ARG 14 HA ARG 14 3.087 17.771 -3.392
109 HB2 ARG 14 2HB ARG 14 2.827 19.864 -4.687
110 HB3 ARG 14 1HB ARG 14 4.435 19.162 -4.756
111 HG2 ARG 14 2HG ARG 14 3.866 18.221 -6.991
112 HG3 ARG 14 1HG ARG 14 2.323 19.065 -6.900
113 HD2 ARG 14 2HD ARG 14 5.018 20.399 -6.734
114 HD3 ARG 14 1HD ARG 14 4.050 20.295 -8.200
115 HE ARG 14 HE ARG 14 2.308 21.457 -6.706
116 HH11 ARG 14 1HH1 ARG 14 5.817 22.112 -6.595
117 HH12 ARG 14 2HH1 ARG 14 5.613 23.750 -6.195
118 HH21 ARG 14 1HH2 ARG 14 2.078 23.731 -6.206
119 HH22 ARG 14 2HH2 ARG 14 3.454 24.694 -5.957
120 H ASP 15 H ASP 15 1.469 15.868 -5.424
121 HA ASP 15 HA ASP 15 -1.101 17.287 -5.107
122 HB2 ASP 15 2HB ASP 15 -0.463 14.846 -6.776
123 HB3 ASP 15 1HB ASP 15 -2.001 15.684 -6.702
124 H MET 16 H MET 16 0.838 14.951 -3.791
125 HA MET 16 HA MET 16 -1.282 13.120 -3.188
126 HB2 MET 16 2HB MET 16 1.697 12.951 -2.895
127 HB3 MET 16 1HB MET 16 0.638 11.778 -2.128
128 HG2 MET 16 2HG MET 16 1.434 10.948 -4.211
129 HG3 MET 16 1HG MET 16 -0.305 11.172 -4.241
130 HE1 MET 16 3HE MET 16 0.489 11.723 -7.899
131 HE2 MET 16 1HE MET 16 -0.595 11.033 -6.675
132 HE3 MET 16 2HE MET 16 1.092 10.532 -6.723
133 H LYS 17 H LYS 17 -2.420 13.187 -1.572
134 HA LYS 17 HA LYS 17 -1.665 14.773 0.773
135 HB2 LYS 17 2HB LYS 17 -3.737 15.387 -0.532
136 HB3 LYS 17 1HB LYS 17 -4.357 13.805 -0.160
137 HG2 LYS 17 2HG LYS 17 -4.515 14.294 2.150
138 HG3 LYS 17 1HG LYS 17 -3.652 15.822 1.943
139 HD2 LYS 17 2HD LYS 17 -5.434 16.663 0.548
140 HD3 LYS 17 1HD LYS 17 -6.300 15.133 0.688
141 HE2 LYS 17 2HE LYS 17 -5.607 16.943 2.996
142 HE3 LYS 17 1HE LYS 17 -7.172 16.916 2.187
143 HZ1 LYS 17 3HZ LYS 17 -5.922 14.664 3.670
144 HZ2 LYS 17 1HZ LYS 17 -7.399 14.590 2.833
145 HZ3 LYS 17 2HZ LYS 17 -7.227 15.591 4.169
146 H PHE 18 H PHE 18 -2.288 11.582 -0.370
147 HA PHE 18 HA PHE 18 -2.315 10.570 2.377
148 HB2 PHE 18 2HB PHE 18 -3.925 9.509 0.037
149 HB3 PHE 18 1HB PHE 18 -3.801 8.746 1.612
150 HD1 PHE 18 1HD PHE 18 -5.226 11.532 -0.288
151 HD2 PHE 18 2HD PHE 18 -5.053 9.592 3.495
152 HE1 PHE 18 1HE PHE 18 -7.165 12.811 0.433
153 HE2 PHE 18 2HE PHE 18 -7.023 10.866 4.240
154 HZ PHE 18 HZ PHE 18 -8.095 12.474 2.714
155 H CYS 19 H CYS 19 -1.219 8.673 2.636
156 HA CYS 19 HA CYS 19 0.366 7.720 0.374
157 HB2 CYS 19 2HB CYS 19 0.795 7.362 3.362
158 HB3 CYS 19 1HB CYS 19 1.873 6.799 2.089
159 H TYR 20 H TYR 20 0.084 5.522 -0.147
160 HA TYR 20 HA TYR 20 -1.976 4.260 1.475
161 HB2 TYR 20 2HB TYR 20 -3.042 3.266 -0.454
162 HB3 TYR 20 1HB TYR 20 -3.020 5.009 -0.602
163 HD1 TYR 20 1HD TYR 20 -1.555 1.847 -1.907
164 HD2 TYR 20 2HD TYR 20 -1.985 6.030 -2.480
165 HE1 TYR 20 1HE TYR 20 -0.721 1.589 -4.194
166 HE2 TYR 20 2HE TYR 20 -1.151 5.804 -4.784
167 HH TYR 20 HH TYR 20 -0.890 2.846 -6.345
168 H HIS 21 H HIS 21 -2.050 2.094 1.571
169 HA HIS 21 HA HIS 21 0.315 0.633 0.684
170 HB2 HIS 21 2HB HIS 21 0.558 1.300 3.094
171 HB3 HIS 21 1HB HIS 21 -0.954 0.480 3.438
172 HD1 HIS 21 1HD HIS 21 0.588 -0.861 5.165
173 HD2 HIS 21 2HD HIS 21 1.340 -1.562 1.148
174 HE1 HIS 21 1HE HIS 21 2.009 -2.949 5.067
175 H ASN 22 H ASN 22 -0.680 -0.566 -0.814
176 HA ASN 22 HA ASN 22 -3.304 -1.728 -0.214
177 HB2 ASN 22 2HB ASN 22 -3.033 -0.517 -2.356
178 HB3 ASN 22 1HB ASN 22 -1.764 -1.630 -2.825
179 HD21 ASN 22 1HD2 ASN 22 -2.368 -3.811 -3.302
180 HD22 ASN 22 2HD2 ASN 22 -3.991 -4.206 -3.719
181 H THR 23 H THR 23 -3.108 -3.479 0.876
182 HA THR 23 HA THR 23 -0.776 -5.052 0.878
183 HB THR 23 HB THR 23 -2.136 -6.660 2.262
184 HG1 THR 23 1HG THR 23 -4.179 -4.662 1.919
185 HG21 THR 23 3HG2 THR 23 -2.386 -5.116 4.144
186 HG22 THR 23 1HG2 THR 23 -2.247 -3.749 3.040
187 HG23 THR 23 2HG2 THR 23 -0.868 -4.829 3.283
188 H GLY 24 H GLY 24 -3.833 -5.374 -0.788
189 HA2 GLY 24 2HA GLY 24 -4.406 -6.579 -2.602
190 HA3 GLY 24 1HA GLY 24 -2.701 -6.973 -2.818
191 H MET 25 H MET 25 -2.648 -9.032 -3.042
192 HA MET 25 HA MET 25 -4.043 -10.711 -1.107
193 HB2 MET 25 2HB MET 25 -2.863 -11.362 -3.814
194 HB3 MET 25 1HB MET 25 -3.569 -12.560 -2.736
195 HG2 MET 25 2HG MET 25 -5.730 -11.505 -2.937
196 HG3 MET 25 1HG MET 25 -5.040 -10.205 -3.903
197 HE1 MET 25 3HE MET 25 -7.251 -12.172 -6.483
198 HE2 MET 25 1HE MET 25 -6.919 -10.603 -5.750
199 HE3 MET 25 2HE MET 25 -7.599 -11.905 -4.774
200 HA PRO 26 HA PRO 26 0.075 -11.231 0.540
201 HB2 PRO 26 2HB PRO 26 -0.579 -12.715 2.667
202 HB3 PRO 26 1HB PRO 26 -1.010 -11.001 2.586
203 HG2 PRO 26 2HG PRO 26 -2.678 -13.405 1.999
204 HG3 PRO 26 1HG PRO 26 -3.103 -11.963 2.957
205 HD2 PRO 26 2HD PRO 26 -3.850 -12.341 0.357
206 HD3 PRO 26 1HD PRO 26 -3.573 -10.735 1.065
207 H PHE 27 H PHE 27 1.430 -12.543 -0.389
208 HA PHE 27 HA PHE 27 0.727 -15.374 -0.618
209 HB2 PHE 27 2HB PHE 27 2.387 -13.660 -2.448
210 HB3 PHE 27 1HB PHE 27 2.347 -15.420 -2.554
211 HD1 PHE 27 1HD PHE 27 0.276 -16.532 -3.300
212 HD2 PHE 27 2HD PHE 27 0.653 -12.301 -3.263
213 HE1 PHE 27 1HE PHE 27 -1.643 -16.353 -4.825
214 HE2 PHE 27 2HE PHE 27 -1.255 -12.114 -4.787
215 HZ PHE 27 HZ PHE 27 -2.411 -14.135 -5.568
216 H ARG 28 H ARG 28 2.245 -16.831 -0.056
217 HA ARG 28 HA ARG 28 4.022 -16.041 1.972
218 HB2 ARG 28 2HB ARG 28 3.898 -18.681 0.512
219 HB3 ARG 28 1HB ARG 28 4.695 -18.372 2.049
220 HG2 ARG 28 2HG ARG 28 2.535 -17.840 3.061
221 HG3 ARG 28 1HG ARG 28 1.734 -18.196 1.531
222 HD2 ARG 28 2HD ARG 28 1.563 -20.115 2.964
223 HD3 ARG 28 1HD ARG 28 2.675 -20.488 1.648
224 HE ARG 28 HE ARG 28 3.985 -19.469 3.954
225 HH11 ARG 28 1HH1 ARG 28 2.710 -22.406 2.483
226 HH12 ARG 28 2HH1 ARG 28 3.642 -23.475 3.427
227 HH21 ARG 28 1HH2 ARG 28 5.269 -20.925 5.268
228 HH22 ARG 28 2HH2 ARG 28 5.129 -22.613 5.050
229 H ASN 29 H ASN 29 6.025 -15.392 1.840
230 HA ASN 29 HA ASN 29 8.079 -14.822 1.157
231 HB2 ASN 29 2HB ASN 29 7.721 -17.099 -0.779
232 HB3 ASN 29 1HB ASN 29 9.221 -16.181 -0.657
233 HD21 ASN 29 1HD2 ASN 29 8.888 -18.961 -0.288
234 HD22 ASN 29 2HD2 ASN 29 9.321 -19.343 1.338
235 H LEU 30 H LEU 30 5.603 -13.726 -0.086
236 HA LEU 30 HA LEU 30 7.003 -12.288 -2.177
237 HB2 LEU 30 2HB LEU 30 5.794 -13.900 -3.457
238 HB3 LEU 30 1HB LEU 30 4.323 -13.600 -2.556
239 HG LEU 30 HG LEU 30 4.313 -11.273 -3.496
240 HD11 LEU 30 1HD1 LEU 30 6.625 -11.022 -4.051
241 HD12 LEU 30 2HD1 LEU 30 5.635 -10.817 -5.498
242 HD13 LEU 30 3HD1 LEU 30 6.516 -12.324 -5.235
243 HD21 LEU 30 3HD2 LEU 30 3.495 -11.918 -5.704
244 HD22 LEU 30 1HD2 LEU 30 2.889 -12.984 -4.442
245 HD23 LEU 30 2HD2 LEU 30 4.197 -13.525 -5.495
246 H LYS 31 H LYS 31 7.077 -10.410 -1.159
247 HA LYS 31 HA LYS 31 4.711 -9.334 0.074
248 HB2 LYS 31 2HB LYS 31 7.424 -8.083 -0.409
249 HB3 LYS 31 1HB LYS 31 6.099 -7.292 0.429
250 HG2 LYS 31 2HG LYS 31 6.171 -9.057 2.147
251 HG3 LYS 31 1HG LYS 31 7.550 -9.772 1.307
252 HD2 LYS 31 2HD LYS 31 8.808 -7.691 1.612
253 HD3 LYS 31 1HD LYS 31 7.433 -6.990 2.460
254 HE2 LYS 31 2HE LYS 31 9.103 -7.771 4.044
255 HE3 LYS 31 1HE LYS 31 7.622 -8.713 4.191
256 HZ1 LYS 31 3HZ LYS 31 8.672 -10.475 2.904
257 HZ2 LYS 31 1HZ LYS 31 9.561 -10.108 4.276
258 HZ3 LYS 31 2HZ LYS 31 10.099 -9.573 2.780
259 H LEU 32 H LEU 32 3.213 -9.020 -1.401
260 HA LEU 32 HA LEU 32 3.800 -7.794 -3.916
261 HB2 LEU 32 2HB LEU 32 1.962 -9.500 -3.479
262 HB3 LEU 32 1HB LEU 32 1.124 -8.272 -2.560
263 HG LEU 32 HG LEU 32 1.719 -8.026 -5.511
264 HD11 LEU 32 1HD1 LEU 32 -0.618 -8.694 -5.835
265 HD12 LEU 32 2HD1 LEU 32 -0.754 -9.025 -4.107
266 HD13 LEU 32 3HD1 LEU 32 0.341 -9.980 -5.107
267 HD21 LEU 32 3HD2 LEU 32 -0.064 -6.347 -5.467
268 HD22 LEU 32 1HD2 LEU 32 1.229 -5.900 -4.356
269 HD23 LEU 32 2HD2 LEU 32 -0.269 -6.591 -3.732
270 H ILE 33 H ILE 33 4.367 -5.790 -3.882
271 HA ILE 33 HA ILE 33 3.408 -4.104 -1.731
272 HB ILE 33 HB ILE 33 6.012 -4.062 -3.232
273 HG12 ILE 33 2HG1 ILE 33 5.911 -5.577 -1.339
274 HG13 ILE 33 1HG1 ILE 33 6.970 -4.225 -0.960
275 HG21 ILE 33 1HG2 ILE 33 5.011 -1.917 -1.373
276 HG22 ILE 33 2HG2 ILE 33 5.286 -1.743 -3.104
277 HG23 ILE 33 3HG2 ILE 33 6.646 -2.033 -2.015
278 HD11 ILE 33 3HD1 ILE 33 4.140 -4.625 0.029
279 HD12 ILE 33 1HD1 ILE 33 5.118 -3.192 0.328
280 HD13 ILE 33 2HD1 ILE 33 5.623 -4.752 0.967
281 H LEU 34 H LEU 34 1.877 -2.935 -2.226
282 HA LEU 34 HA LEU 34 2.160 -1.206 -4.537
283 HB2 LEU 34 2HB LEU 34 -0.300 -2.569 -3.529
284 HB3 LEU 34 1HB LEU 34 -0.430 -1.088 -4.482
285 HG LEU 34 HG LEU 34 0.776 -3.702 -5.342
286 HD11 LEU 34 1HD1 LEU 34 -1.183 -3.845 -6.832
287 HD12 LEU 34 2HD1 LEU 34 -1.826 -2.373 -6.100
288 HD13 LEU 34 3HD1 LEU 34 -1.646 -3.835 -5.132
289 HD21 LEU 34 3HD2 LEU 34 0.276 -1.176 -6.899
290 HD22 LEU 34 1HD2 LEU 34 0.809 -2.708 -7.588
291 HD23 LEU 34 2HD2 LEU 34 1.852 -1.845 -6.464
292 H GLN 35 H GLN 35 3.370 -0.401 -2.622
293 HA GLN 35 HA GLN 35 1.728 1.242 -0.877
294 HB2 GLN 35 2HB GLN 35 4.716 0.954 -1.136
295 HB3 GLN 35 1HB GLN 35 3.882 1.897 0.081
296 HG2 GLN 35 2HG GLN 35 2.993 -0.084 1.066
297 HG3 GLN 35 1HG GLN 35 3.687 -1.092 -0.201
298 HE21 GLN 35 1HE2 GLN 35 4.293 0.703 2.699
299 HE22 GLN 35 2HE2 GLN 35 5.927 0.212 2.886
300 H GLY 36 H GLY 36 1.315 3.256 -1.494
301 HA2 GLY 36 2HA GLY 36 3.205 4.540 -3.268
302 HA3 GLY 36 1HA GLY 36 1.550 4.334 -3.853
303 H CYS 37 H CYS 37 1.727 6.597 -4.023
304 HA CYS 37 HA CYS 37 0.783 7.867 -1.573
305 HB2 CYS 37 2HB CYS 37 2.537 9.158 -3.690
306 HB3 CYS 37 1HB CYS 37 1.908 9.932 -2.241
307 H SER 38 H SER 38 -1.111 9.035 -1.956
308 HA SER 38 HA SER 38 -1.970 9.257 -4.732
309 HB2 SER 38 2HB SER 38 -2.941 7.176 -3.853
310 HB3 SER 38 1HB SER 38 -3.616 8.052 -2.479
311 HG SER 38 HG SER 38 -5.142 7.691 -4.099
312 H SER 39 H SER 39 -3.794 10.707 -4.933
313 HA SER 39 HA SER 39 -3.570 12.980 -3.135
314 HB2 SER 39 2HB SER 39 -3.441 13.246 -5.618
315 HB3 SER 39 1HB SER 39 -5.095 12.676 -5.760
316 HG SER 39 HG SER 39 -4.095 15.016 -4.530
317 H SER 40 H SER 40 -5.454 10.223 -3.672
318 HA SER 40 HA SER 40 -7.612 11.229 -1.978
319 HB2 SER 40 2HB SER 40 -7.909 9.480 -4.434
320 HB3 SER 40 1HB SER 40 -9.216 10.022 -3.385
321 HG SER 40 HG SER 40 -7.673 11.409 -5.225
322 H CYS 41 H CYS 41 -8.988 8.919 -1.613
323 HA CYS 41 HA CYS 41 -6.989 6.960 -0.772
324 HB2 CYS 41 2HB CYS 41 -7.908 8.128 1.182
325 HB3 CYS 41 1HB CYS 41 -9.545 7.772 0.645
326 H SER 42 H SER 42 -8.010 4.736 -0.526
327 HA SER 42 HA SER 42 -9.315 4.040 -2.942
328 HB2 SER 42 2HB SER 42 -9.015 1.758 -1.947
329 HB3 SER 42 1HB SER 42 -7.528 2.696 -2.134
330 HG SER 42 HG SER 42 -8.743 1.790 0.181
331 H GLU 43 H GLU 43 -11.159 2.621 -2.963
332 HA GLU 43 HA GLU 43 -13.267 3.262 -1.094
333 HB2 GLU 43 2HB GLU 43 -14.611 1.741 -2.553
334 HB3 GLU 43 1HB GLU 43 -13.866 3.079 -3.414
335 HG2 GLU 43 2HG GLU 43 -12.165 1.638 -4.300
336 HG3 GLU 43 1HG GLU 43 -12.726 0.295 -3.308
337 H THR 44 H THR 44 -10.906 0.870 -1.518
338 HA THR 44 HA THR 44 -12.341 -1.100 0.076
339 HB THR 44 HB THR 44 -11.418 -1.976 -1.990
340 HG1 THR 44 1HG THR 44 -10.631 -3.719 -1.110
341 HG21 THR 44 3HG2 THR 44 -9.642 -0.364 -2.391
342 HG22 THR 44 1HG2 THR 44 -8.998 -2.005 -2.420
343 HG23 THR 44 2HG2 THR 44 -8.742 -0.983 -1.004
344 H GLU 45 H GLU 45 -11.261 -2.155 1.809
345 HA GLU 45 HA GLU 45 -9.655 -0.376 3.463
346 HB2 GLU 45 2HB GLU 45 -10.897 -3.067 4.014
347 HB3 GLU 45 1HB GLU 45 -10.026 -2.102 5.191
348 HG2 GLU 45 2HG GLU 45 -11.707 -0.391 5.094
349 HG3 GLU 45 1HG GLU 45 -12.528 -1.251 3.789
350 H ASN 46 H ASN 46 -9.330 -3.009 1.344
351 HA ASN 46 HA ASN 46 -7.134 -4.458 2.316
352 HB2 ASN 46 2HB ASN 46 -8.491 -5.101 0.348
353 HB3 ASN 46 1HB ASN 46 -7.840 -3.726 -0.533
354 HD21 ASN 46 1HD2 ASN 46 -7.244 -6.884 0.653
355 HD22 ASN 46 2HD2 ASN 46 -5.756 -7.156 -0.180
356 H ASN 47 H ASN 47 -7.439 -1.455 0.695
357 HA ASN 47 HA ASN 47 -4.578 -0.932 0.853
358 HB2 ASN 47 2HB ASN 47 -5.493 -0.596 -1.362
359 HB3 ASN 47 1HB ASN 47 -6.805 0.385 -0.714
360 HD21 ASN 47 1HD2 ASN 47 -6.382 2.484 -0.115
361 HD22 ASN 47 2HD2 ASN 47 -4.939 3.309 -0.571
362 H LYS 48 H LYS 48 -4.083 0.005 2.622
363 HA LYS 48 HA LYS 48 -6.055 1.625 4.012
364 HB2 LYS 48 2HB LYS 48 -3.262 0.772 4.796
365 HB3 LYS 48 1HB LYS 48 -4.258 1.847 5.762
366 HG2 LYS 48 2HG LYS 48 -4.899 -1.013 5.062
367 HG3 LYS 48 1HG LYS 48 -4.309 -0.425 6.624
368 HD2 LYS 48 2HD LYS 48 -6.368 1.006 6.758
369 HD3 LYS 48 1HD LYS 48 -6.952 0.208 5.301
370 HE2 LYS 48 2HE LYS 48 -6.340 -1.119 7.945
371 HE3 LYS 48 1HE LYS 48 -7.939 -0.801 7.282
372 HZ1 LYS 48 3HZ LYS 48 -7.309 -2.310 5.404
373 HZ2 LYS 48 1HZ LYS 48 -7.361 -3.084 6.898
374 HZ3 LYS 48 2HZ LYS 48 -5.896 -2.658 6.230
375 H CYS 49 H CYS 49 -5.843 3.785 4.319
376 HA CYS 49 HA CYS 49 -3.645 5.043 2.882
377 HB2 CYS 49 2HB CYS 49 -5.145 6.835 2.144
378 HB3 CYS 49 1HB CYS 49 -5.714 5.284 1.541
379 H CYS 50 H CYS 50 -2.685 6.604 3.948
380 HA CYS 50 HA CYS 50 -3.859 7.594 6.399
381 HB2 CYS 50 2HB CYS 50 -1.578 7.183 7.445
382 HB3 CYS 50 1HB CYS 50 -2.557 5.743 7.152
383 H SER 51 H SER 51 -2.666 9.615 7.076
384 HA SER 51 HA SER 51 -1.691 10.909 4.633
385 HB2 SER 51 2HB SER 51 -2.804 12.952 5.655
386 HB3 SER 51 1HB SER 51 -3.871 11.686 5.037
387 HG SER 51 HG SER 51 -4.444 11.168 7.049
388 H THR 52 H THR 52 0.006 9.691 6.761
389 HA THR 52 HA THR 52 1.370 12.141 7.649
390 HB THR 52 HB THR 52 1.296 9.622 9.265
391 HG1 THR 52 1HG THR 52 -0.431 11.896 9.276
392 HG21 THR 52 3HG2 THR 52 1.888 12.500 10.014
393 HG22 THR 52 1HG2 THR 52 3.079 11.217 9.804
394 HG23 THR 52 2HG2 THR 52 1.916 11.131 11.124
395 H ASP 53 H ASP 53 3.590 11.919 7.898
396 HA ASP 53 HA ASP 53 5.055 10.625 5.954
397 HB2 ASP 53 2HB ASP 53 6.370 12.241 6.771
398 HB3 ASP 53 1HB ASP 53 5.664 12.146 8.389
399 H ARG 54 H ARG 54 5.697 8.698 5.599
400 HA ARG 54 HA ARG 54 6.168 6.534 5.727
401 HB2 ARG 54 2HB ARG 54 7.220 7.501 8.356
402 HB3 ARG 54 1HB ARG 54 7.478 5.854 7.803
403 HG2 ARG 54 2HG ARG 54 8.677 6.630 5.877
404 HG3 ARG 54 1HG ARG 54 8.263 8.298 6.249
405 HD2 ARG 54 2HD ARG 54 9.856 6.541 8.093
406 HD3 ARG 54 1HD ARG 54 10.579 7.668 6.937
407 HE ARG 54 HE ARG 54 8.858 9.221 8.213
408 HH11 ARG 54 1HH1 ARG 54 11.380 7.092 9.458
409 HH12 ARG 54 2HH1 ARG 54 11.589 7.935 10.921
410 HH21 ARG 54 1HH2 ARG 54 9.105 10.368 10.123
411 HH22 ARG 54 2HH2 ARG 54 10.263 9.913 11.316
412 H CYS 55 H CYS 55 3.479 7.315 6.675
413 HA CYS 55 HA CYS 55 2.777 5.588 8.839
414 HB2 CYS 55 2HB CYS 55 0.499 6.208 8.258
415 HB3 CYS 55 1HB CYS 55 1.554 7.623 8.292
416 H ASN 56 H ASN 56 3.112 5.123 5.421
417 HA ASN 56 HA ASN 56 1.162 2.978 5.246
418 HB2 ASN 56 2HB ASN 56 1.528 3.052 2.853
419 HB3 ASN 56 1HB ASN 56 1.367 4.691 3.456
420 HD21 ASN 56 1HD2 ASN 56 2.539 3.701 1.039
421 HD22 ASN 56 2HD2 ASN 56 4.184 4.195 0.978
422 H LYS 57 H LYS 57 3.379 2.439 6.882
423 HA LYS 57 HA LYS 57 5.173 0.712 5.410
424 HB2 LYS 57 2HB LYS 57 6.288 0.381 7.603
425 HB3 LYS 57 1HB LYS 57 6.224 2.053 7.069
426 HG2 LYS 57 2HG LYS 57 4.348 2.462 8.608
427 HG3 LYS 57 1HG LYS 57 4.447 0.791 9.158
428 HD2 LYS 57 2HD LYS 57 6.653 2.843 9.381
429 HD3 LYS 57 1HD LYS 57 5.575 2.367 10.689
430 HE2 LYS 57 2HE LYS 57 7.500 0.534 9.244
431 HE3 LYS 57 1HE LYS 57 7.761 1.253 10.822
432 HZ1 LYS 57 3HZ LYS 57 6.983 -1.012 10.990
433 HZ2 LYS 57 1HZ LYS 57 5.570 -0.654 10.161
434 HZ3 LYS 57 2HZ LYS 57 5.870 0.024 11.677
Start of MODEL 9
1 H1 LEU 1 1HT LEU 1 4.650 14.597 1.104
2 H2 LEU 1 2HT LEU 1 5.558 14.906 2.482
3 H3 LEU 1 3HT LEU 1 3.889 15.151 2.520
4 HA LEU 1 HA LEU 1 4.551 13.179 3.650
5 HB2 LEU 1 2HB LEU 1 3.009 12.861 1.122
6 HB3 LEU 1 1HB LEU 1 3.315 11.486 2.160
7 HG LEU 1 HG LEU 1 1.846 13.992 2.981
8 HD11 LEU 1 2HD1 LEU 1 -0.093 12.490 3.018
9 HD12 LEU 1 3HD1 LEU 1 0.940 11.195 2.393
10 HD13 LEU 1 1HD1 LEU 1 0.609 12.610 1.395
11 HD21 LEU 1 1HD2 LEU 1 1.310 12.615 4.990
12 HD22 LEU 1 2HD2 LEU 1 3.014 13.030 4.851
13 HD23 LEU 1 3HD2 LEU 1 2.475 11.415 4.412
14 H LYS 2 H LYS 2 6.129 12.072 3.972
15 HA LYS 2 HA LYS 2 7.481 10.905 1.701
16 HB2 LYS 2 2HB LYS 2 9.460 10.637 3.282
17 HB3 LYS 2 1HB LYS 2 9.058 12.291 2.835
18 HG2 LYS 2 2HG LYS 2 7.805 12.446 4.989
19 HG3 LYS 2 1HG LYS 2 8.492 10.880 5.427
20 HD2 LYS 2 2HD LYS 2 10.741 11.809 5.247
21 HD3 LYS 2 1HD LYS 2 10.072 13.362 4.739
22 HE2 LYS 2 2HE LYS 2 8.841 13.451 6.927
23 HE3 LYS 2 1HE LYS 2 9.720 12.008 7.406
24 HZ1 LYS 2 3HZ LYS 2 11.776 13.201 7.223
25 HZ2 LYS 2 1HZ LYS 2 10.725 14.058 8.228
26 HZ3 LYS 2 2HZ LYS 2 10.993 14.571 6.641
27 H CYS 3 H CYS 3 6.923 8.899 1.366
28 HA CYS 3 HA CYS 3 6.329 7.194 3.666
29 HB2 CYS 3 2HB CYS 3 4.476 7.576 1.295
30 HB3 CYS 3 1HB CYS 3 4.281 6.328 2.529
31 H PHE 4 H PHE 4 6.009 4.805 2.972
32 HA PHE 4 HA PHE 4 8.444 4.154 1.529
33 HB2 PHE 4 2HB PHE 4 6.476 2.328 2.923
34 HB3 PHE 4 1HB PHE 4 8.034 1.851 2.273
35 HD1 PHE 4 1HD PHE 4 10.093 2.698 3.326
36 HD2 PHE 4 2HD PHE 4 6.264 3.295 5.036
37 HE1 PHE 4 1HE PHE 4 11.147 3.176 5.508
38 HE2 PHE 4 2HE PHE 4 7.290 3.778 7.208
39 HZ PHE 4 HZ PHE 4 9.735 3.718 7.453
40 H GLN 5 H GLN 5 7.549 4.924 -0.456
41 HA GLN 5 HA GLN 5 5.441 3.364 -1.659
42 HB2 GLN 5 2HB GLN 5 5.482 5.737 -2.028
43 HB3 GLN 5 1HB GLN 5 7.091 5.624 -2.711
44 HG2 GLN 5 2HG GLN 5 6.354 4.721 -4.669
45 HG3 GLN 5 1HG GLN 5 4.823 4.165 -4.020
46 HE21 GLN 5 1HE2 GLN 5 6.157 7.329 -3.404
47 HE22 GLN 5 2HE2 GLN 5 5.012 8.206 -4.321
48 H HIS 6 H HIS 6 8.892 3.632 -1.969
49 HA HIS 6 HA HIS 6 8.794 1.517 -4.022
50 HB2 HIS 6 2HB HIS 6 10.029 3.695 -4.490
51 HB3 HIS 6 1HB HIS 6 11.166 3.252 -3.232
52 HD1 HIS 6 1HD HIS 6 10.178 2.434 -6.751
53 HD2 HIS 6 2HD HIS 6 13.024 1.297 -3.950
54 HE1 HIS 6 1HE HIS 6 11.877 1.044 -8.009
55 H GLY 7 H GLY 7 8.656 1.624 -0.945
56 HA2 GLY 7 2HA GLY 7 9.111 -0.209 0.532
57 HA3 GLY 7 1HA GLY 7 10.587 -0.535 -0.386
58 H LYS 8 H LYS 8 11.472 1.956 -0.682
59 HA LYS 8 HA LYS 8 12.441 2.741 1.943
60 HB2 LYS 8 2HB LYS 8 13.984 4.172 0.685
61 HB3 LYS 8 1HB LYS 8 14.036 2.532 0.057
62 HG2 LYS 8 2HG LYS 8 12.609 3.174 -1.796
63 HG3 LYS 8 1HG LYS 8 12.495 4.817 -1.166
64 HD2 LYS 8 2HD LYS 8 14.950 5.030 -1.443
65 HD3 LYS 8 1HD LYS 8 14.974 3.421 -2.174
66 HE2 LYS 8 2HE LYS 8 13.410 4.210 -3.901
67 HE3 LYS 8 1HE LYS 8 13.459 5.818 -3.189
68 HZ1 LYS 8 3HZ LYS 8 15.861 5.872 -3.682
69 HZ2 LYS 8 1HZ LYS 8 14.888 5.687 -5.057
70 HZ3 LYS 8 2HZ LYS 8 15.710 4.357 -4.434
71 H VAL 9 H VAL 9 12.421 5.062 2.451
72 HA VAL 9 HA VAL 9 9.860 6.257 2.144
73 HB VAL 9 HB VAL 9 12.445 7.435 3.206
74 HG11 VAL 9 1HG1 VAL 9 10.825 9.142 2.670
75 HG12 VAL 9 2HG1 VAL 9 11.012 8.997 4.420
76 HG13 VAL 9 3HG1 VAL 9 9.596 8.309 3.621
77 HG21 VAL 9 3HG2 VAL 9 11.851 5.439 4.437
78 HG22 VAL 9 1HG2 VAL 9 10.212 6.048 4.669
79 HG23 VAL 9 2HG2 VAL 9 11.572 6.876 5.422
80 H VAL 10 H VAL 10 9.224 7.474 0.456
81 HA VAL 10 HA VAL 10 11.274 8.924 -1.063
82 HB VAL 10 HB VAL 10 9.973 8.719 -3.086
83 HG11 VAL 10 1HG1 VAL 10 10.225 6.030 -1.779
84 HG12 VAL 10 2HG1 VAL 10 11.455 6.867 -2.742
85 HG13 VAL 10 3HG1 VAL 10 9.951 6.310 -3.495
86 HG21 VAL 10 3HG2 VAL 10 7.930 7.199 -1.487
87 HG22 VAL 10 1HG2 VAL 10 7.913 7.448 -3.234
88 HG23 VAL 10 2HG2 VAL 10 7.746 8.827 -2.144
89 H THR 11 H THR 11 10.618 10.989 -1.848
90 HA THR 11 HA THR 11 8.742 12.285 -0.074
91 HB THR 11 HB THR 11 10.490 13.509 -2.232
92 HG1 THR 11 1HG THR 11 10.994 12.737 0.439
93 HG21 THR 11 3HG2 THR 11 10.213 15.561 -0.891
94 HG22 THR 11 1HG2 THR 11 9.191 14.679 0.246
95 HG23 THR 11 2HG2 THR 11 8.650 14.934 -1.412
96 H CYS 12 H CYS 12 6.708 11.967 -0.755
97 HA CYS 12 HA CYS 12 5.924 11.926 -3.542
98 HB2 CYS 12 2HB CYS 12 4.288 11.808 -0.992
99 HB3 CYS 12 1HB CYS 12 3.759 11.339 -2.613
100 H HIS 13 H HIS 13 4.745 13.529 -4.564
101 HA HIS 13 HA HIS 13 5.315 16.195 -3.736
102 HB2 HIS 13 2HB HIS 13 5.106 15.263 -6.122
103 HB3 HIS 13 1HB HIS 13 3.368 15.384 -5.907
104 HD1 HIS 13 1HD HIS 13 2.557 17.446 -7.157
105 HD2 HIS 13 2HD HIS 13 6.278 18.020 -5.369
106 HE1 HIS 13 1HE HIS 13 3.234 19.769 -7.716
107 H ARG 14 H ARG 14 3.365 17.893 -3.780
108 HA ARG 14 HA ARG 14 1.737 16.989 -1.612
109 HB2 ARG 14 2HB ARG 14 1.835 19.724 -2.876
110 HB3 ARG 14 1HB ARG 14 0.810 19.308 -1.520
111 HG2 ARG 14 2HG ARG 14 2.850 18.679 -0.240
112 HG3 ARG 14 1HG ARG 14 3.816 19.293 -1.583
113 HD2 ARG 14 2HD ARG 14 1.837 20.873 0.058
114 HD3 ARG 14 1HD ARG 14 3.592 20.973 0.177
115 HE ARG 14 HE ARG 14 2.947 21.477 -2.446
116 HH11 ARG 14 1HH1 ARG 14 2.257 23.002 0.674
117 HH12 ARG 14 2HH1 ARG 14 2.142 24.577 0.038
118 HH21 ARG 14 1HH2 ARG 14 2.775 23.649 -3.327
119 HH22 ARG 14 2HH2 ARG 14 2.449 24.940 -2.276
120 H ASP 15 H ASP 15 1.292 16.734 -4.847
121 HA ASP 15 HA ASP 15 -1.559 16.952 -4.953
122 HB2 ASP 15 2HB ASP 15 0.233 15.047 -6.511
123 HB3 ASP 15 1HB ASP 15 -1.443 15.402 -6.882
124 H MET 16 H MET 16 0.775 14.679 -3.901
125 HA MET 16 HA MET 16 -1.090 12.583 -3.370
126 HB2 MET 16 2HB MET 16 1.893 12.873 -2.912
127 HB3 MET 16 1HB MET 16 1.046 11.484 -2.322
128 HG2 MET 16 2HG MET 16 1.976 10.876 -4.319
129 HG3 MET 16 1HG MET 16 0.252 11.098 -4.603
130 HE1 MET 16 3HE MET 16 0.393 11.258 -7.070
131 HE2 MET 16 1HE MET 16 2.094 10.818 -6.907
132 HE3 MET 16 2HE MET 16 1.627 12.145 -7.995
133 H LYS 17 H LYS 17 -2.449 13.052 -1.909
134 HA LYS 17 HA LYS 17 -1.578 14.404 0.520
135 HB2 LYS 17 2HB LYS 17 -4.380 13.887 -0.506
136 HB3 LYS 17 1HB LYS 17 -3.936 14.906 0.856
137 HG2 LYS 17 2HG LYS 17 -2.728 16.410 -0.676
138 HG3 LYS 17 1HG LYS 17 -3.207 15.389 -2.026
139 HD2 LYS 17 2HD LYS 17 -5.579 15.872 -1.497
140 HD3 LYS 17 1HD LYS 17 -5.041 16.966 -0.220
141 HE2 LYS 17 2HE LYS 17 -3.845 18.316 -1.886
142 HE3 LYS 17 1HE LYS 17 -4.390 17.228 -3.157
143 HZ1 LYS 17 3HZ LYS 17 -5.770 19.179 -3.101
144 HZ2 LYS 17 1HZ LYS 17 -6.120 18.964 -1.469
145 HZ3 LYS 17 2HZ LYS 17 -6.691 17.867 -2.603
146 H PHE 18 H PHE 18 -2.106 11.361 -0.705
147 HA PHE 18 HA PHE 18 -2.605 10.263 1.964
148 HB2 PHE 18 2HB PHE 18 -3.893 9.311 -0.605
149 HB3 PHE 18 1HB PHE 18 -3.998 8.504 0.947
150 HD1 PHE 18 1HD PHE 18 -5.103 11.372 -1.046
151 HD2 PHE 18 2HD PHE 18 -5.506 9.314 2.663
152 HE1 PHE 18 1HE PHE 18 -7.122 12.640 -0.580
153 HE2 PHE 18 2HE PHE 18 -7.545 10.586 3.143
154 HZ PHE 18 HZ PHE 18 -8.369 12.254 1.530
155 H CYS 19 H CYS 19 -1.230 8.660 2.428
156 HA CYS 19 HA CYS 19 0.306 7.463 0.260
157 HB2 CYS 19 2HB CYS 19 0.671 7.275 3.278
158 HB3 CYS 19 1HB CYS 19 1.732 6.576 2.054
159 H TYR 20 H TYR 20 -0.023 5.253 -0.130
160 HA TYR 20 HA TYR 20 -2.183 4.129 1.483
161 HB2 TYR 20 2HB TYR 20 -3.169 3.058 -0.470
162 HB3 TYR 20 1HB TYR 20 -3.091 4.794 -0.710
163 HD1 TYR 20 1HD TYR 20 -1.801 1.527 -1.809
164 HD2 TYR 20 2HD TYR 20 -1.651 5.726 -2.437
165 HE1 TYR 20 1HE TYR 20 -0.686 1.146 -3.942
166 HE2 TYR 20 2HE TYR 20 -0.527 5.360 -4.596
167 HH TYR 20 HH TYR 20 -0.391 2.354 -6.071
168 H HIS 21 H HIS 21 -2.156 2.083 1.915
169 HA HIS 21 HA HIS 21 0.140 0.497 1.059
170 HB2 HIS 21 2HB HIS 21 0.352 0.913 3.448
171 HB3 HIS 21 1HB HIS 21 -1.338 0.535 3.716
172 HD1 HIS 21 1HD HIS 21 -0.599 -1.250 5.510
173 HD2 HIS 21 2HD HIS 21 0.741 -2.046 1.656
174 HE1 HIS 21 1HE HIS 21 0.119 -3.662 5.497
175 H ASN 22 H ASN 22 -0.737 -0.597 -0.595
176 HA ASN 22 HA ASN 22 -3.309 -1.885 -0.117
177 HB2 ASN 22 2HB ASN 22 -3.145 -0.535 -2.205
178 HB3 ASN 22 1HB ASN 22 -1.807 -1.537 -2.737
179 HD21 ASN 22 1HD2 ASN 22 -2.268 -3.729 -3.326
180 HD22 ASN 22 2HD2 ASN 22 -3.879 -4.233 -3.699
181 H THR 23 H THR 23 -2.893 -3.652 0.895
182 HA THR 23 HA THR 23 -0.705 -5.324 -0.039
183 HB THR 23 HB THR 23 -0.645 -4.817 2.353
184 HG1 THR 23 1HG THR 23 -0.678 -6.960 3.197
185 HG21 THR 23 3HG2 THR 23 -2.998 -4.335 2.754
186 HG22 THR 23 1HG2 THR 23 -2.437 -5.559 3.893
187 HG23 THR 23 2HG2 THR 23 -3.411 -6.030 2.498
188 H GLY 24 H GLY 24 -1.794 -7.701 0.881
189 HA2 GLY 24 2HA GLY 24 -4.354 -8.069 -0.446
190 HA3 GLY 24 1HA GLY 24 -2.976 -8.940 -1.128
191 H MET 25 H MET 25 -2.315 -10.707 -0.237
192 HA MET 25 HA MET 25 -3.293 -11.426 2.420
193 HB2 MET 25 2HB MET 25 -3.099 -13.184 -0.051
194 HB3 MET 25 1HB MET 25 -3.453 -13.773 1.563
195 HG2 MET 25 2HG MET 25 -5.516 -12.435 1.578
196 HG3 MET 25 1HG MET 25 -5.148 -11.879 -0.048
197 HE1 MET 25 3HE MET 25 -7.907 -13.213 0.823
198 HE2 MET 25 1HE MET 25 -8.214 -14.268 -0.555
199 HE3 MET 25 2HE MET 25 -7.576 -12.645 -0.814
200 HA PRO 26 HA PRO 26 1.053 -12.289 2.973
201 HB2 PRO 26 2HB PRO 26 1.016 -14.522 4.554
202 HB3 PRO 26 1HB PRO 26 0.688 -12.900 5.177
203 HG2 PRO 26 2HG PRO 26 -1.239 -15.048 4.379
204 HG3 PRO 26 1HG PRO 26 -1.290 -13.980 5.795
205 HD2 PRO 26 2HD PRO 26 -2.803 -13.527 3.616
206 HD3 PRO 26 1HD PRO 26 -2.112 -12.196 4.566
207 H PHE 27 H PHE 27 1.874 -12.898 1.099
208 HA PHE 27 HA PHE 27 1.181 -15.472 0.003
209 HB2 PHE 27 2HB PHE 27 2.820 -13.233 -1.169
210 HB3 PHE 27 1HB PHE 27 2.392 -14.719 -2.020
211 HD1 PHE 27 2HD PHE 27 -0.420 -15.077 -1.423
212 HD2 PHE 27 1HD PHE 27 1.729 -11.484 -2.165
213 HE1 PHE 27 2HE PHE 27 -2.489 -13.998 -2.179
214 HE2 PHE 27 1HE PHE 27 -0.348 -10.397 -2.920
215 HZ PHE 27 HZ PHE 27 -2.457 -11.655 -2.931
216 H ARG 28 H ARG 28 2.629 -17.019 -0.464
217 HA ARG 28 HA ARG 28 4.754 -17.225 1.459
218 HB2 ARG 28 2HB ARG 28 4.007 -19.170 -0.726
219 HB3 ARG 28 1HB ARG 28 4.927 -19.510 0.733
220 HG2 ARG 28 2HG ARG 28 1.994 -18.820 0.563
221 HG3 ARG 28 1HG ARG 28 2.694 -20.382 0.979
222 HD2 ARG 28 2HD ARG 28 3.644 -19.430 3.007
223 HD3 ARG 28 1HD ARG 28 3.034 -17.840 2.553
224 HE ARG 28 HE ARG 28 1.094 -19.971 2.819
225 HH11 ARG 28 1HH1 ARG 28 2.578 -17.078 4.262
226 HH12 ARG 28 2HH1 ARG 28 1.372 -16.886 5.434
227 HH21 ARG 28 1HH2 ARG 28 -0.592 -19.631 4.422
228 HH22 ARG 28 2HH2 ARG 28 -0.482 -18.337 5.511
229 H ASN 29 H ASN 29 6.700 -16.493 1.097
230 HA ASN 29 HA ASN 29 8.648 -15.897 0.156
231 HB2 ASN 29 2HB ASN 29 7.763 -17.824 -1.990
232 HB3 ASN 29 1HB ASN 29 9.318 -16.995 -2.059
233 HD21 ASN 29 1HD2 ASN 29 8.744 -19.844 -1.871
234 HD22 ASN 29 2HD2 ASN 29 9.508 -20.387 -0.429
235 H LEU 30 H LEU 30 6.065 -14.540 -0.482
236 HA LEU 30 HA LEU 30 7.168 -12.735 -2.467
237 HB2 LEU 30 2HB LEU 30 5.783 -14.188 -3.809
238 HB3 LEU 30 1HB LEU 30 4.456 -14.041 -2.676
239 HG LEU 30 HG LEU 30 4.332 -11.609 -3.237
240 HD11 LEU 30 1HD1 LEU 30 5.358 -10.818 -5.277
241 HD12 LEU 30 2HD1 LEU 30 6.242 -12.337 -5.435
242 HD13 LEU 30 3HD1 LEU 30 6.561 -11.263 -4.069
243 HD21 LEU 30 3HD2 LEU 30 3.171 -11.912 -5.332
244 HD22 LEU 30 1HD2 LEU 30 2.801 -13.229 -4.227
245 HD23 LEU 30 2HD2 LEU 30 3.933 -13.491 -5.562
246 H LYS 31 H LYS 31 6.839 -10.698 -1.815
247 HA LYS 31 HA LYS 31 4.639 -10.248 0.040
248 HB2 LYS 31 2HB LYS 31 7.341 -8.916 -0.071
249 HB3 LYS 31 1HB LYS 31 5.981 -8.226 0.799
250 HG2 LYS 31 2HG LYS 31 5.876 -10.212 2.216
251 HG3 LYS 31 1HG LYS 31 7.237 -10.910 1.340
252 HD2 LYS 31 2HD LYS 31 8.683 -9.129 2.084
253 HD3 LYS 31 1HD LYS 31 7.323 -8.291 2.831
254 HE2 LYS 31 2HE LYS 31 8.368 -11.007 3.637
255 HE3 LYS 31 1HE LYS 31 8.690 -9.496 4.485
256 HZ1 LYS 31 3HZ LYS 31 6.274 -9.287 4.852
257 HZ2 LYS 31 1HZ LYS 31 6.919 -10.653 5.579
258 HZ3 LYS 31 2HZ LYS 31 6.033 -10.807 4.163
259 H LEU 32 H LEU 32 3.048 -9.468 -1.108
260 HA LEU 32 HA LEU 32 3.609 -7.764 -3.348
261 HB2 LEU 32 2HB LEU 32 1.745 -9.323 -3.495
262 HB3 LEU 32 1HB LEU 32 0.986 -8.597 -2.090
263 HG LEU 32 HG LEU 32 0.705 -6.489 -3.377
264 HD11 LEU 32 1HD1 LEU 32 2.512 -6.719 -4.958
265 HD12 LEU 32 2HD1 LEU 32 0.982 -6.530 -5.812
266 HD13 LEU 32 3HD1 LEU 32 1.732 -8.121 -5.686
267 HD21 LEU 32 3HD2 LEU 32 -0.504 -8.936 -4.661
268 HD22 LEU 32 1HD2 LEU 32 -1.112 -7.288 -4.805
269 HD23 LEU 32 2HD2 LEU 32 -1.123 -8.096 -3.238
270 H ILE 33 H ILE 33 4.264 -5.872 -2.915
271 HA ILE 33 HA ILE 33 3.031 -4.368 -0.748
272 HB ILE 33 HB ILE 33 5.892 -4.383 -1.729
273 HG12 ILE 33 2HG1 ILE 33 5.327 -6.013 -0.006
274 HG13 ILE 33 1HG1 ILE 33 6.427 -4.792 0.629
275 HG21 ILE 33 1HG2 ILE 33 5.227 -2.019 -1.520
276 HG22 ILE 33 2HG2 ILE 33 6.438 -2.493 -0.334
277 HG23 ILE 33 3HG2 ILE 33 4.758 -2.322 0.159
278 HD11 ILE 33 3HD1 ILE 33 3.449 -4.957 1.112
279 HD12 ILE 33 1HD1 ILE 33 4.494 -3.649 1.657
280 HD13 ILE 33 2HD1 ILE 33 4.734 -5.284 2.275
281 H LEU 34 H LEU 34 1.454 -3.403 -1.870
282 HA LEU 34 HA LEU 34 2.371 -1.595 -3.957
283 HB2 LEU 34 2HB LEU 34 -0.377 -2.587 -3.289
284 HB3 LEU 34 1HB LEU 34 -0.076 -1.332 -4.493
285 HG LEU 34 HG LEU 34 0.706 -4.231 -4.561
286 HD11 LEU 34 1HD1 LEU 34 -1.637 -3.811 -5.027
287 HD12 LEU 34 2HD1 LEU 34 -0.798 -4.329 -6.488
288 HD13 LEU 34 3HD1 LEU 34 -1.196 -2.625 -6.252
289 HD21 LEU 34 3HD2 LEU 34 2.477 -2.938 -5.601
290 HD22 LEU 34 1HD2 LEU 34 1.288 -2.064 -6.572
291 HD23 LEU 34 2HD2 LEU 34 1.543 -3.788 -6.832
292 H GLN 35 H GLN 35 3.313 -0.748 -1.920
293 HA GLN 35 HA GLN 35 1.448 1.062 -0.596
294 HB2 GLN 35 2HB GLN 35 4.377 0.557 -0.088
295 HB3 GLN 35 1HB GLN 35 3.339 1.592 0.877
296 HG2 GLN 35 2HG GLN 35 2.006 -0.357 1.479
297 HG3 GLN 35 1HG GLN 35 3.102 -1.392 0.575
298 HE21 GLN 35 1HE2 GLN 35 5.406 0.364 1.473
299 HE22 GLN 35 2HE2 GLN 35 5.642 -0.073 3.124
300 H GLY 36 H GLY 36 1.244 3.010 -1.435
301 HA2 GLY 36 2HA GLY 36 3.590 4.239 -2.588
302 HA3 GLY 36 1HA GLY 36 2.200 4.045 -3.663
303 H CYS 37 H CYS 37 2.436 6.368 -3.781
304 HA CYS 37 HA CYS 37 0.831 7.555 -1.659
305 HB2 CYS 37 2HB CYS 37 2.919 9.020 -3.346
306 HB3 CYS 37 1HB CYS 37 1.829 9.724 -2.182
307 H SER 38 H SER 38 -0.912 8.687 -2.305
308 HA SER 38 HA SER 38 -1.453 8.740 -5.168
309 HB2 SER 38 2HB SER 38 -2.457 6.690 -4.260
310 HB3 SER 38 1HB SER 38 -3.267 7.624 -3.008
311 HG SER 38 HG SER 38 -4.775 7.961 -4.324
312 H SER 39 H SER 39 -3.118 10.243 -5.696
313 HA SER 39 HA SER 39 -3.094 12.552 -3.993
314 HB2 SER 39 2HB SER 39 -2.800 12.759 -6.427
315 HB3 SER 39 1HB SER 39 -4.390 12.080 -6.708
316 HG SER 39 HG SER 39 -3.796 14.427 -5.244
317 H SER 40 H SER 40 -5.485 10.202 -5.190
318 HA SER 40 HA SER 40 -7.377 11.215 -3.208
319 HB2 SER 40 2HB SER 40 -8.998 9.823 -4.513
320 HB3 SER 40 1HB SER 40 -8.230 11.095 -5.468
321 HG SER 40 HG SER 40 -7.853 9.519 -6.743
322 H CYS 41 H CYS 41 -8.778 9.194 -2.393
323 HA CYS 41 HA CYS 41 -6.898 7.063 -1.704
324 HB2 CYS 41 2HB CYS 41 -7.336 8.275 0.299
325 HB3 CYS 41 1HB CYS 41 -9.063 8.339 -0.041
326 H SER 42 H SER 42 -7.462 5.120 -2.467
327 HA SER 42 HA SER 42 -10.146 4.605 -3.314
328 HB2 SER 42 2HB SER 42 -7.834 2.665 -2.977
329 HB3 SER 42 1HB SER 42 -9.296 2.419 -3.938
330 HG SER 42 HG SER 42 -8.481 4.501 -4.975
331 H GLU 43 H GLU 43 -11.266 4.917 -1.455
332 HA GLU 43 HA GLU 43 -10.443 3.939 1.041
333 HB2 GLU 43 2HB GLU 43 -12.683 4.746 1.845
334 HB3 GLU 43 1HB GLU 43 -11.654 5.938 1.066
335 HG2 GLU 43 2HG GLU 43 -12.923 5.582 -1.010
336 HG3 GLU 43 1HG GLU 43 -13.989 4.520 -0.082
337 H THR 44 H THR 44 -10.263 2.056 1.370
338 HA THR 44 HA THR 44 -12.458 0.196 1.418
339 HB THR 44 HB THR 44 -10.855 -1.552 0.388
340 HG1 THR 44 1HG THR 44 -9.641 0.872 -0.407
341 HG21 THR 44 3HG2 THR 44 -11.537 -1.068 -1.926
342 HG22 THR 44 1HG2 THR 44 -11.972 0.574 -1.451
343 HG23 THR 44 2HG2 THR 44 -12.873 -0.793 -0.807
344 H GLU 45 H GLU 45 -11.391 -1.938 2.477
345 HA GLU 45 HA GLU 45 -10.020 -0.908 4.814
346 HB2 GLU 45 2HB GLU 45 -12.007 -2.322 5.063
347 HB3 GLU 45 1HB GLU 45 -11.185 -3.624 4.227
348 HG2 GLU 45 2HG GLU 45 -9.569 -3.783 6.032
349 HG3 GLU 45 1HG GLU 45 -10.354 -2.437 6.859
350 H ASN 46 H ASN 46 -9.449 -3.030 2.119
351 HA ASN 46 HA ASN 46 -7.006 -4.045 3.227
352 HB2 ASN 46 2HB ASN 46 -8.272 -5.517 1.819
353 HB3 ASN 46 1HB ASN 46 -8.251 -4.373 0.494
354 HD21 ASN 46 1HD2 ASN 46 -6.434 -4.239 -0.795
355 HD22 ASN 46 2HD2 ASN 46 -5.135 -5.369 -0.680
356 H ASN 47 H ASN 47 -7.847 -1.565 0.846
357 HA ASN 47 HA ASN 47 -5.048 -0.856 0.646
358 HB2 ASN 47 2HB ASN 47 -6.231 -0.838 -1.443
359 HB3 ASN 47 1HB ASN 47 -7.523 0.163 -0.784
360 HD21 ASN 47 1HD2 ASN 47 -7.179 2.343 -0.581
361 HD22 ASN 47 2HD2 ASN 47 -5.838 3.157 -1.308
362 H LYS 48 H LYS 48 -4.451 0.065 2.346
363 HA LYS 48 HA LYS 48 -6.211 1.740 3.960
364 HB2 LYS 48 2HB LYS 48 -3.382 0.809 4.436
365 HB3 LYS 48 1HB LYS 48 -4.410 1.632 5.603
366 HG2 LYS 48 2HG LYS 48 -5.913 -0.252 5.663
367 HG3 LYS 48 1HG LYS 48 -5.013 -1.053 4.379
368 HD2 LYS 48 2HD LYS 48 -4.418 -2.012 6.525
369 HD3 LYS 48 1HD LYS 48 -3.038 -1.156 5.846
370 HE2 LYS 48 2HE LYS 48 -3.185 -0.675 8.208
371 HE3 LYS 48 1HE LYS 48 -3.581 0.781 7.309
372 HZ1 LYS 48 3HZ LYS 48 -5.542 -1.073 8.544
373 HZ2 LYS 48 1HZ LYS 48 -5.923 0.345 7.722
374 HZ3 LYS 48 2HZ LYS 48 -5.074 0.407 9.171
375 H CYS 49 H CYS 49 -6.278 3.876 3.427
376 HA CYS 49 HA CYS 49 -3.774 5.074 2.512
377 HB2 CYS 49 2HB CYS 49 -5.099 6.923 1.649
378 HB3 CYS 49 1HB CYS 49 -5.712 5.402 1.014
379 H CYS 50 H CYS 50 -2.803 6.605 3.655
380 HA CYS 50 HA CYS 50 -4.150 7.685 5.985
381 HB2 CYS 50 2HB CYS 50 -1.939 7.228 7.213
382 HB3 CYS 50 1HB CYS 50 -3.029 5.868 6.951
383 H SER 51 H SER 51 -3.086 9.655 6.795
384 HA SER 51 HA SER 51 -1.740 11.038 4.599
385 HB2 SER 51 2HB SER 51 -2.790 13.051 5.789
386 HB3 SER 51 1HB SER 51 -3.867 11.948 4.921
387 HG SER 51 HG SER 51 -3.991 12.645 7.440
388 H THR 52 H THR 52 -0.403 9.496 6.816
389 HA THR 52 HA THR 52 0.980 11.751 8.099
390 HB THR 52 HB THR 52 1.061 8.973 9.174
391 HG1 THR 52 1HG THR 52 -0.980 10.942 9.699
392 HG21 THR 52 3HG2 THR 52 1.305 10.169 11.324
393 HG22 THR 52 1HG2 THR 52 1.123 11.705 10.476
394 HG23 THR 52 2HG2 THR 52 2.520 10.679 10.151
395 H ASP 53 H ASP 53 3.238 11.549 8.212
396 HA ASP 53 HA ASP 53 4.389 10.408 5.896
397 HB2 ASP 53 2HB ASP 53 5.716 11.643 8.311
398 HB3 ASP 53 1HB ASP 53 6.580 11.142 6.862
399 H ARG 54 H ARG 54 5.201 8.560 5.517
400 HA ARG 54 HA ARG 54 5.929 6.426 5.659
401 HB2 ARG 54 2HB ARG 54 6.884 7.278 8.391
402 HB3 ARG 54 1HB ARG 54 7.330 5.775 7.606
403 HG2 ARG 54 2HG ARG 54 8.414 7.062 5.814
404 HG3 ARG 54 1HG ARG 54 7.979 8.556 6.651
405 HD2 ARG 54 2HD ARG 54 9.741 6.353 7.709
406 HD3 ARG 54 1HD ARG 54 10.267 7.948 7.170
407 HE ARG 54 HE ARG 54 8.539 8.610 9.056
408 HH11 ARG 54 1HH1 ARG 54 11.217 6.318 9.123
409 HH12 ARG 54 2HH1 ARG 54 11.371 6.326 10.816
410 HH21 ARG 54 1HH2 ARG 54 8.767 8.688 11.322
411 HH22 ARG 54 2HH2 ARG 54 9.961 7.745 12.108
412 H CYS 55 H CYS 55 3.183 7.152 6.656
413 HA CYS 55 HA CYS 55 2.573 5.365 8.782
414 HB2 CYS 55 2HB CYS 55 0.238 5.757 8.114
415 HB3 CYS 55 1HB CYS 55 1.160 7.251 8.268
416 H ASN 56 H ASN 56 3.122 4.873 5.448
417 HA ASN 56 HA ASN 56 1.601 2.439 5.449
418 HB2 ASN 56 2HB ASN 56 2.055 2.284 3.036
419 HB3 ASN 56 1HB ASN 56 1.397 3.855 3.449
420 HD21 ASN 56 1HD2 ASN 56 2.681 3.294 1.108
421 HD22 ASN 56 2HD2 ASN 56 4.177 4.153 1.006
422 H LYS 57 H LYS 57 2.929 1.649 7.131
423 HA LYS 57 HA LYS 57 5.197 0.194 6.055
424 HB2 LYS 57 2HB LYS 57 6.443 0.561 8.191
425 HB3 LYS 57 1HB LYS 57 6.168 2.011 7.231
426 HG2 LYS 57 2HG LYS 57 4.401 2.710 8.709
427 HG3 LYS 57 1HG LYS 57 4.568 1.238 9.659
428 HD2 LYS 57 2HD LYS 57 6.895 1.900 10.194
429 HD3 LYS 57 1HD LYS 57 6.643 3.404 9.307
430 HE2 LYS 57 2HE LYS 57 6.343 3.797 11.673
431 HE3 LYS 57 1HE LYS 57 4.798 3.966 10.841
432 HZ1 LYS 57 3HZ LYS 57 4.194 1.741 11.581
433 HZ2 LYS 57 1HZ LYS 57 4.597 2.698 12.904
434 HZ3 LYS 57 2HZ LYS 57 5.692 1.570 12.342
Start of MODEL 10
1 H1 LEU 1 1HT LEU 1 5.306 15.180 1.638
2 H2 LEU 1 2HT LEU 1 3.625 15.162 1.840
3 H3 LEU 1 3HT LEU 1 4.345 14.369 0.537
4 HA LEU 1 HA LEU 1 4.750 13.645 3.348
5 HB2 LEU 1 2HB LEU 1 3.043 12.447 1.201
6 HB3 LEU 1 1HB LEU 1 3.608 11.522 2.569
7 HG LEU 1 HG LEU 1 1.779 13.914 2.668
8 HD11 LEU 1 2HD1 LEU 1 1.387 10.978 3.197
9 HD12 LEU 1 3HD1 LEU 1 0.761 11.870 1.814
10 HD13 LEU 1 1HD1 LEU 1 0.159 12.228 3.436
11 HD21 LEU 1 1HD2 LEU 1 1.613 13.327 5.078
12 HD22 LEU 1 2HD2 LEU 1 3.219 13.885 4.609
13 HD23 LEU 1 3HD2 LEU 1 2.925 12.165 4.838
14 H LYS 2 H LYS 2 6.228 12.181 3.701
15 HA LYS 2 HA LYS 2 7.455 10.990 1.386
16 HB2 LYS 2 2HB LYS 2 9.452 10.577 2.879
17 HB3 LYS 2 1HB LYS 2 9.097 12.274 2.608
18 HG2 LYS 2 2HG LYS 2 7.993 12.370 4.811
19 HG3 LYS 2 1HG LYS 2 8.422 10.682 5.082
20 HD2 LYS 2 2HD LYS 2 10.013 12.082 6.233
21 HD3 LYS 2 1HD LYS 2 10.815 11.329 4.856
22 HE2 LYS 2 2HE LYS 2 10.532 13.390 3.562
23 HE3 LYS 2 1HE LYS 2 9.701 14.126 4.921
24 HZ1 LYS 2 3HZ LYS 2 11.719 13.995 6.217
25 HZ2 LYS 2 1HZ LYS 2 12.009 14.799 4.773
26 HZ3 LYS 2 2HZ LYS 2 12.526 13.203 4.965
27 H CYS 3 H CYS 3 6.815 8.934 1.056
28 HA CYS 3 HA CYS 3 6.053 7.375 3.429
29 HB2 CYS 3 2HB CYS 3 4.505 7.149 0.829
30 HB3 CYS 3 1HB CYS 3 4.051 6.584 2.443
31 H PHE 4 H PHE 4 5.970 4.980 2.888
32 HA PHE 4 HA PHE 4 8.466 4.364 1.568
33 HB2 PHE 4 2HB PHE 4 6.511 2.538 2.984
34 HB3 PHE 4 1HB PHE 4 8.093 2.066 2.394
35 HD1 PHE 4 1HD PHE 4 10.113 2.847 3.527
36 HD2 PHE 4 2HD PHE 4 6.238 3.773 5.020
37 HE1 PHE 4 1HE PHE 4 11.088 3.443 5.687
38 HE2 PHE 4 2HE PHE 4 7.207 4.379 7.178
39 HZ PHE 4 HZ PHE 4 9.637 4.216 7.531
40 H GLN 5 H GLN 5 7.622 4.947 -0.621
41 HA GLN 5 HA GLN 5 5.628 3.202 -1.786
42 HB2 GLN 5 2HB GLN 5 5.853 5.456 -2.694
43 HB3 GLN 5 1HB GLN 5 7.526 5.127 -3.128
44 HG2 GLN 5 2HG GLN 5 6.786 3.435 -4.733
45 HG3 GLN 5 1HG GLN 5 5.112 3.765 -4.315
46 HE21 GLN 5 1HE2 GLN 5 7.548 6.263 -4.625
47 HE22 GLN 5 2HE2 GLN 5 6.899 6.972 -6.043
48 H HIS 6 H HIS 6 9.111 3.420 -1.954
49 HA HIS 6 HA HIS 6 9.303 1.077 -3.708
50 HB2 HIS 6 2HB HIS 6 10.791 3.159 -3.881
51 HB3 HIS 6 1HB HIS 6 11.517 2.669 -2.365
52 HD1 HIS 6 1HD HIS 6 12.791 0.130 -2.557
53 HD2 HIS 6 2HD HIS 6 12.001 2.220 -6.068
54 HE1 HIS 6 1HE HIS 6 14.334 -0.812 -4.287
55 H GLY 7 H GLY 7 8.710 1.594 -0.597
56 HA2 GLY 7 2HA GLY 7 8.843 0.069 1.222
57 HA3 GLY 7 1HA GLY 7 10.217 -0.715 0.424
58 H LYS 8 H LYS 8 10.986 2.076 -0.280
59 HA LYS 8 HA LYS 8 12.504 2.761 2.117
60 HB2 LYS 8 2HB LYS 8 12.875 3.613 -0.763
61 HB3 LYS 8 1HB LYS 8 13.937 4.013 0.575
62 HG2 LYS 8 2HG LYS 8 14.580 1.694 0.803
63 HG3 LYS 8 1HG LYS 8 13.433 1.235 -0.460
64 HD2 LYS 8 2HD LYS 8 14.650 2.591 -2.074
65 HD3 LYS 8 1HD LYS 8 15.788 3.086 -0.821
66 HE2 LYS 8 2HE LYS 8 16.487 0.753 -0.559
67 HE3 LYS 8 1HE LYS 8 15.343 0.277 -1.814
68 HZ1 LYS 8 3HZ LYS 8 17.559 0.495 -2.693
69 HZ2 LYS 8 1HZ LYS 8 17.654 2.091 -2.182
70 HZ3 LYS 8 2HZ LYS 8 16.566 1.627 -3.395
71 H VAL 9 H VAL 9 12.563 5.011 2.640
72 HA VAL 9 HA VAL 9 10.081 6.384 2.379
73 HB VAL 9 HB VAL 9 12.743 7.472 3.320
74 HG11 VAL 9 1HG1 VAL 9 11.407 9.094 4.572
75 HG12 VAL 9 2HG1 VAL 9 9.941 8.434 3.845
76 HG13 VAL 9 3HG1 VAL 9 11.154 9.218 2.832
77 HG21 VAL 9 3HG2 VAL 9 10.552 6.180 4.929
78 HG22 VAL 9 1HG2 VAL 9 11.984 6.966 5.588
79 HG23 VAL 9 2HG2 VAL 9 12.149 5.506 4.612
80 H VAL 10 H VAL 10 9.499 7.341 0.531
81 HA VAL 10 HA VAL 10 11.507 8.913 -0.893
82 HB VAL 10 HB VAL 10 10.463 8.401 -3.031
83 HG11 VAL 10 1HG1 VAL 10 12.242 6.925 -2.375
84 HG12 VAL 10 2HG1 VAL 10 11.016 6.014 -3.264
85 HG13 VAL 10 3HG1 VAL 10 11.106 5.893 -1.509
86 HG21 VAL 10 3HG2 VAL 10 8.163 8.092 -2.275
87 HG22 VAL 10 1HG2 VAL 10 8.609 6.557 -1.528
88 HG23 VAL 10 2HG2 VAL 10 8.702 6.750 -3.283
89 H THR 11 H THR 11 10.645 10.790 -1.925
90 HA THR 11 HA THR 11 8.550 11.931 -0.328
91 HB THR 11 HB THR 11 10.060 13.211 -2.617
92 HG1 THR 11 1HG THR 11 11.023 12.252 -0.360
93 HG21 THR 11 3HG2 THR 11 9.554 15.278 -1.381
94 HG22 THR 11 1HG2 THR 11 8.684 14.343 -0.168
95 HG23 THR 11 2HG2 THR 11 8.071 14.428 -1.819
96 H CYS 12 H CYS 12 6.508 12.036 -0.918
97 HA CYS 12 HA CYS 12 5.545 11.095 -3.475
98 HB2 CYS 12 2HB CYS 12 4.050 12.350 -1.190
99 HB3 CYS 12 1HB CYS 12 3.419 11.276 -2.436
100 H HIS 13 H HIS 13 4.247 12.450 -4.861
101 HA HIS 13 HA HIS 13 5.351 15.039 -5.191
102 HB2 HIS 13 2HB HIS 13 4.328 13.479 -7.011
103 HB3 HIS 13 1HB HIS 13 2.783 14.142 -6.509
104 HD1 HIS 13 1HD HIS 13 2.056 16.228 -7.900
105 HD2 HIS 13 2HD HIS 13 6.196 15.628 -7.822
106 HE1 HIS 13 1HE HIS 13 3.036 17.985 -9.334
107 H ARG 14 H ARG 14 4.071 16.994 -5.281
108 HA ARG 14 HA ARG 14 2.963 17.600 -2.788
109 HB2 ARG 14 2HB ARG 14 2.550 19.813 -3.731
110 HB3 ARG 14 1HB ARG 14 4.162 19.212 -4.083
111 HG2 ARG 14 2HG ARG 14 3.250 18.490 -6.331
112 HG3 ARG 14 1HG ARG 14 1.824 19.455 -5.934
113 HD2 ARG 14 2HD ARG 14 3.329 20.815 -7.217
114 HD3 ARG 14 1HD ARG 14 3.303 21.371 -5.537
115 HE ARG 14 HE ARG 14 5.368 19.478 -6.036
116 HH11 ARG 14 1HH1 ARG 14 4.578 22.912 -6.140
117 HH12 ARG 14 2HH1 ARG 14 6.199 23.433 -6.196
118 HH21 ARG 14 1HH2 ARG 14 7.568 20.168 -6.080
119 HH22 ARG 14 2HH2 ARG 14 7.960 21.824 -6.150
120 H ASP 15 H ASP 15 1.390 16.240 -5.446
121 HA ASP 15 HA ASP 15 -1.252 17.308 -4.862
122 HB2 ASP 15 2HB ASP 15 -0.492 14.884 -6.505
123 HB3 ASP 15 1HB ASP 15 -2.090 15.594 -6.414
124 H MET 16 H MET 16 0.777 14.800 -3.824
125 HA MET 16 HA MET 16 -1.261 12.986 -3.101
126 HB2 MET 16 2HB MET 16 1.718 12.977 -2.800
127 HB3 MET 16 1HB MET 16 0.784 11.726 -2.016
128 HG2 MET 16 2HG MET 16 1.537 10.940 -4.092
129 HG3 MET 16 1HG MET 16 -0.206 11.137 -4.152
130 HE1 MET 16 3HE MET 16 0.491 11.851 -7.773
131 HE2 MET 16 1HE MET 16 -0.646 11.241 -6.552
132 HE3 MET 16 2HE MET 16 0.988 10.582 -6.626
133 H LYS 17 H LYS 17 -2.291 12.704 -1.386
134 HA LYS 17 HA LYS 17 -1.763 14.482 0.895
135 HB2 LYS 17 2HB LYS 17 -3.834 14.941 -0.440
136 HB3 LYS 17 1HB LYS 17 -4.359 13.315 -0.100
137 HG2 LYS 17 2HG LYS 17 -4.512 13.807 2.266
138 HG3 LYS 17 1HG LYS 17 -3.920 15.445 1.974
139 HD2 LYS 17 2HD LYS 17 -5.858 15.923 0.586
140 HD3 LYS 17 1HD LYS 17 -6.439 14.272 0.798
141 HE2 LYS 17 2HE LYS 17 -6.687 14.647 3.184
142 HE3 LYS 17 1HE LYS 17 -6.050 16.282 3.006
143 HZ1 LYS 17 3HZ LYS 17 -7.937 16.801 1.585
144 HZ2 LYS 17 1HZ LYS 17 -8.448 16.313 3.111
145 HZ3 LYS 17 2HZ LYS 17 -8.576 15.256 1.817
146 H PHE 18 H PHE 18 -2.211 11.208 -0.197
147 HA PHE 18 HA PHE 18 -2.185 10.278 2.590
148 HB2 PHE 18 2HB PHE 18 -3.735 9.050 0.296
149 HB3 PHE 18 1HB PHE 18 -3.630 8.417 1.925
150 HD1 PHE 18 1HD PHE 18 -5.104 10.986 -0.231
151 HD2 PHE 18 2HD PHE 18 -4.954 9.381 3.709
152 HE1 PHE 18 1HE PHE 18 -7.148 12.203 0.329
153 HE2 PHE 18 2HE PHE 18 -7.010 10.613 4.283
154 HZ PHE 18 HZ PHE 18 -8.114 12.019 2.595
155 H CYS 19 H CYS 19 -0.927 8.468 2.903
156 HA CYS 19 HA CYS 19 0.641 7.476 0.643
157 HB2 CYS 19 2HB CYS 19 0.761 6.466 3.496
158 HB3 CYS 19 1HB CYS 19 1.980 6.387 2.230
159 H TYR 20 H TYR 20 0.220 5.272 -0.014
160 HA TYR 20 HA TYR 20 -1.997 4.092 1.465
161 HB2 TYR 20 2HB TYR 20 -3.045 3.210 -0.517
162 HB3 TYR 20 1HB TYR 20 -2.873 4.944 -0.676
163 HD1 TYR 20 2HD TYR 20 -1.712 1.653 -1.932
164 HD2 TYR 20 1HD TYR 20 -1.527 5.873 -2.436
165 HE1 TYR 20 2HE TYR 20 -0.765 1.322 -4.153
166 HE2 TYR 20 1HE TYR 20 -0.581 5.559 -4.679
167 HH TYR 20 HH TYR 20 -0.689 2.673 -6.293
168 H HIS 21 H HIS 21 -2.167 1.929 1.499
169 HA HIS 21 HA HIS 21 0.137 0.389 0.595
170 HB2 HIS 21 2HB HIS 21 0.431 0.712 3.013
171 HB3 HIS 21 1HB HIS 21 -1.221 0.207 3.313
172 HD1 HIS 21 1HD HIS 21 -0.219 -1.641 4.943
173 HD2 HIS 21 2HD HIS 21 0.860 -2.096 0.955
174 HE1 HIS 21 1HE HIS 21 0.696 -3.980 4.726
175 H ASN 22 H ASN 22 -0.735 -0.703 -0.991
176 HA ASN 22 HA ASN 22 -3.371 -1.880 -0.612
177 HB2 ASN 22 2HB ASN 22 -2.971 -0.706 -2.763
178 HB3 ASN 22 1HB ASN 22 -1.604 -1.770 -3.084
179 HD21 ASN 22 1HD2 ASN 22 -5.014 -1.467 -2.993
180 HD22 ASN 22 2HD2 ASN 22 -5.420 -2.993 -3.670
181 H THR 23 H THR 23 -3.575 -4.017 -0.369
182 HA THR 23 HA THR 23 -1.317 -5.740 -0.682
183 HB THR 23 HB THR 23 -0.825 -4.673 1.476
184 HG1 THR 23 1HG THR 23 -0.095 -6.610 1.680
185 HG21 THR 23 3HG2 THR 23 -3.094 -4.014 2.136
186 HG22 THR 23 1HG2 THR 23 -2.314 -4.937 3.422
187 HG23 THR 23 2HG2 THR 23 -3.520 -5.706 2.389
188 H GLY 24 H GLY 24 -2.316 -7.764 0.901
189 HA2 GLY 24 2HA GLY 24 -5.122 -8.185 0.525
190 HA3 GLY 24 1HA GLY 24 -4.131 -9.115 -0.600
191 H MET 25 H MET 25 -2.511 -10.357 0.245
192 HA MET 25 HA MET 25 -2.725 -11.164 3.035
193 HB2 MET 25 2HB MET 25 -2.623 -13.013 0.631
194 HB3 MET 25 1HB MET 25 -2.452 -13.522 2.297
195 HG2 MET 25 2HG MET 25 -4.761 -12.712 2.721
196 HG3 MET 25 1HG MET 25 -4.905 -12.338 1.008
197 HE1 MET 25 3HE MET 25 -4.677 -15.104 3.733
198 HE2 MET 25 1HE MET 25 -3.195 -15.434 2.835
199 HE3 MET 25 2HE MET 25 -4.533 -16.583 2.788
200 HA PRO 26 HA PRO 26 1.719 -11.074 2.430
201 HB2 PRO 26 2HB PRO 26 2.582 -12.775 4.312
202 HB3 PRO 26 1HB PRO 26 1.851 -11.227 4.768
203 HG2 PRO 26 2HG PRO 26 0.589 -13.934 4.609
204 HG3 PRO 26 1HG PRO 26 0.504 -12.759 5.945
205 HD2 PRO 26 2HD PRO 26 -1.464 -13.004 4.126
206 HD3 PRO 26 1HD PRO 26 -0.998 -11.421 4.810
207 H PHE 27 H PHE 27 3.150 -12.217 1.272
208 HA PHE 27 HA PHE 27 2.345 -14.934 0.554
209 HB2 PHE 27 2HB PHE 27 3.476 -12.795 -1.211
210 HB3 PHE 27 1HB PHE 27 3.491 -14.498 -1.682
211 HD1 PHE 27 1HD PHE 27 1.396 -11.565 -1.013
212 HD2 PHE 27 2HD PHE 27 1.466 -15.603 -2.316
213 HE1 PHE 27 1HE PHE 27 -0.887 -11.324 -1.869
214 HE2 PHE 27 2HE PHE 27 -0.826 -15.376 -3.164
215 HZ PHE 27 HZ PHE 27 -2.007 -13.235 -2.949
216 H ARG 28 H ARG 28 3.780 -16.481 0.255
217 HA ARG 28 HA ARG 28 5.988 -16.482 2.004
218 HB2 ARG 28 2HB ARG 28 5.024 -18.451 -0.062
219 HB3 ARG 28 1HB ARG 28 6.356 -18.769 1.040
220 HG2 ARG 28 2HG ARG 28 4.927 -18.670 2.929
221 HG3 ARG 28 1HG ARG 28 3.602 -18.023 1.965
222 HD2 ARG 28 2HD ARG 28 4.820 -20.739 1.525
223 HD3 ARG 28 1HD ARG 28 3.413 -20.462 2.552
224 HE ARG 28 HE ARG 28 2.649 -19.310 0.277
225 HH11 ARG 28 1HH1 ARG 28 4.091 -22.504 0.824
226 HH12 ARG 28 2HH1 ARG 28 3.239 -23.232 -0.470
227 HH21 ARG 28 1HH2 ARG 28 1.468 -20.353 -1.457
228 HH22 ARG 28 2HH2 ARG 28 1.748 -21.992 -1.789
229 H ASN 29 H ASN 29 7.684 -15.285 1.563
230 HA ASN 29 HA ASN 29 9.608 -14.597 0.701
231 HB2 ASN 29 2HB ASN 29 9.170 -16.826 -1.260
232 HB3 ASN 29 1HB ASN 29 10.620 -15.819 -1.275
233 HD21 ASN 29 1HD2 ASN 29 10.338 -18.662 -0.847
234 HD22 ASN 29 2HD2 ASN 29 11.003 -19.005 0.703
235 H LEU 30 H LEU 30 6.916 -13.759 -0.231
236 HA LEU 30 HA LEU 30 7.942 -12.151 -2.425
237 HB2 LEU 30 2HB LEU 30 6.343 -13.693 -3.379
238 HB3 LEU 30 1HB LEU 30 5.166 -13.306 -2.143
239 HG LEU 30 HG LEU 30 5.028 -10.993 -3.076
240 HD11 LEU 30 1HD1 LEU 30 7.203 -10.853 -4.119
241 HD12 LEU 30 2HD1 LEU 30 5.929 -10.555 -5.299
242 HD13 LEU 30 3HD1 LEU 30 6.755 -12.113 -5.267
243 HD21 LEU 30 3HD2 LEU 30 3.388 -12.674 -3.707
244 HD22 LEU 30 1HD2 LEU 30 4.435 -13.226 -5.015
245 HD23 LEU 30 2HD2 LEU 30 3.737 -11.607 -5.065
246 H LYS 31 H LYS 31 8.360 -10.347 -1.442
247 HA LYS 31 HA LYS 31 6.708 -9.333 0.667
248 HB2 LYS 31 2HB LYS 31 9.189 -9.048 0.619
249 HB3 LYS 31 1HB LYS 31 9.032 -8.073 -0.825
250 HG2 LYS 31 2HG LYS 31 9.374 -6.636 1.056
251 HG3 LYS 31 1HG LYS 31 7.712 -6.435 0.497
252 HD2 LYS 31 2HD LYS 31 6.930 -7.921 2.251
253 HD3 LYS 31 1HD LYS 31 8.587 -8.167 2.807
254 HE2 LYS 31 2HE LYS 31 8.738 -5.745 3.274
255 HE3 LYS 31 1HE LYS 31 7.050 -5.575 2.794
256 HZ1 LYS 31 3HZ LYS 31 7.236 -5.742 5.183
257 HZ2 LYS 31 1HZ LYS 31 8.066 -7.199 5.057
258 HZ3 LYS 31 2HZ LYS 31 6.448 -7.096 4.595
259 H LEU 32 H LEU 32 4.703 -8.953 -0.247
260 HA LEU 32 HA LEU 32 4.512 -7.530 -2.731
261 HB2 LEU 32 2HB LEU 32 2.996 -9.413 -2.212
262 HB3 LEU 32 1HB LEU 32 2.375 -8.538 -0.835
263 HG LEU 32 HG LEU 32 2.025 -7.460 -3.641
264 HD11 LEU 32 1HD1 LEU 32 1.167 -9.750 -3.592
265 HD12 LEU 32 2HD1 LEU 32 -0.137 -8.568 -3.687
266 HD13 LEU 32 3HD1 LEU 32 0.225 -9.360 -2.152
267 HD21 LEU 32 3HD2 LEU 32 1.517 -5.945 -1.762
268 HD22 LEU 32 1HD2 LEU 32 0.414 -7.150 -1.099
269 HD23 LEU 32 2HD2 LEU 32 0.058 -6.388 -2.649
270 H ILE 33 H ILE 33 4.975 -5.494 -2.657
271 HA ILE 33 HA ILE 33 3.661 -3.900 -0.628
272 HB ILE 33 HB ILE 33 6.516 -3.685 -1.577
273 HG12 ILE 33 2HG1 ILE 33 6.127 -5.064 0.372
274 HG13 ILE 33 1HG1 ILE 33 7.003 -3.609 0.842
275 HG21 ILE 33 1HG2 ILE 33 5.050 -1.484 -0.129
276 HG22 ILE 33 2HG2 ILE 33 5.617 -1.427 -1.795
277 HG23 ILE 33 3HG2 ILE 33 6.779 -1.532 -0.473
278 HD11 ILE 33 3HD1 ILE 33 5.318 -4.113 2.500
279 HD12 ILE 33 1HD1 ILE 33 4.056 -4.162 1.268
280 HD13 ILE 33 2HD1 ILE 33 4.849 -2.647 1.634
281 H LEU 34 H LEU 34 1.959 -3.287 -1.783
282 HA LEU 34 HA LEU 34 2.606 -1.535 -4.022
283 HB2 LEU 34 2HB LEU 34 0.045 -2.895 -3.265
284 HB3 LEU 34 1HB LEU 34 0.022 -1.432 -4.234
285 HG LEU 34 HG LEU 34 1.433 -2.659 -5.912
286 HD11 LEU 34 1HD1 LEU 34 1.417 -5.090 -5.877
287 HD12 LEU 34 2HD1 LEU 34 0.663 -5.065 -4.284
288 HD13 LEU 34 3HD1 LEU 34 2.295 -4.431 -4.496
289 HD21 LEU 34 3HD2 LEU 34 -1.308 -3.723 -5.295
290 HD22 LEU 34 1HD2 LEU 34 -0.491 -3.833 -6.858
291 HD23 LEU 34 2HD2 LEU 34 -0.926 -2.253 -6.183
292 H GLN 35 H GLN 35 3.523 -0.415 -2.187
293 HA GLN 35 HA GLN 35 1.543 1.233 -0.813
294 HB2 GLN 35 2HB GLN 35 4.473 0.819 -0.266
295 HB3 GLN 35 1HB GLN 35 3.437 1.912 0.632
296 HG2 GLN 35 2HG GLN 35 2.086 -0.000 1.340
297 HG3 GLN 35 1HG GLN 35 3.180 -1.082 0.491
298 HE21 GLN 35 1HE2 GLN 35 5.509 0.643 1.288
299 HE22 GLN 35 2HE2 GLN 35 5.768 0.258 2.946
300 H GLY 36 H GLY 36 1.342 3.228 -1.459
301 HA2 GLY 36 2HA GLY 36 3.555 4.452 -2.891
302 HA3 GLY 36 1HA GLY 36 2.006 4.283 -3.722
303 H CYS 37 H CYS 37 2.049 6.543 -3.856
304 HA CYS 37 HA CYS 37 0.996 7.779 -1.425
305 HB2 CYS 37 2HB CYS 37 2.596 9.183 -3.566
306 HB3 CYS 37 1HB CYS 37 2.079 9.809 -2.008
307 H SER 38 H SER 38 -0.935 8.802 -1.815
308 HA SER 38 HA SER 38 -1.718 9.114 -4.609
309 HB2 SER 38 2HB SER 38 -2.653 6.978 -3.768
310 HB3 SER 38 1HB SER 38 -3.476 7.861 -2.482
311 HG SER 38 HG SER 38 -4.361 7.346 -4.853
312 H SER 39 H SER 39 -3.457 10.601 -4.909
313 HA SER 39 HA SER 39 -3.288 12.840 -3.098
314 HB2 SER 39 2HB SER 39 -4.673 12.499 -5.753
315 HB3 SER 39 1HB SER 39 -4.360 14.028 -4.919
316 HG SER 39 HG SER 39 -2.284 13.817 -5.208
317 H SER 40 H SER 40 -5.355 10.181 -3.613
318 HA SER 40 HA SER 40 -7.374 11.416 -1.946
319 HB2 SER 40 2HB SER 40 -8.078 11.720 -4.323
320 HB3 SER 40 1HB SER 40 -7.967 9.982 -4.559
321 HG SER 40 HG SER 40 -9.848 9.785 -3.753
322 H CYS 41 H CYS 41 -8.980 9.504 -1.362
323 HA CYS 41 HA CYS 41 -7.312 7.144 -0.958
324 HB2 CYS 41 2HB CYS 41 -7.799 8.284 1.160
325 HB3 CYS 41 1HB CYS 41 -9.521 8.225 0.805
326 H SER 42 H SER 42 -8.288 5.162 -1.162
327 HA SER 42 HA SER 42 -10.584 5.084 -2.941
328 HB2 SER 42 2HB SER 42 -8.546 3.806 -3.532
329 HB3 SER 42 1HB SER 42 -8.672 2.914 -2.019
330 HG SER 42 HG SER 42 -9.562 2.033 -4.100
331 H GLU 43 H GLU 43 -12.264 3.353 -2.429
332 HA GLU 43 HA GLU 43 -12.968 3.722 0.367
333 HB2 GLU 43 2HB GLU 43 -14.669 2.592 -1.859
334 HB3 GLU 43 1HB GLU 43 -15.212 3.046 -0.253
335 HG2 GLU 43 2HG GLU 43 -14.208 4.849 -2.421
336 HG3 GLU 43 1HG GLU 43 -15.858 4.751 -1.799
337 H THR 44 H THR 44 -11.606 1.397 -1.583
338 HA THR 44 HA THR 44 -12.662 -0.847 -0.158
339 HB THR 44 HB THR 44 -12.017 -1.194 -2.486
340 HG1 THR 44 1HG THR 44 -11.602 -3.108 -1.824
341 HG21 THR 44 3HG2 THR 44 -9.665 -1.146 -3.196
342 HG22 THR 44 1HG2 THR 44 -9.197 -0.565 -1.597
343 HG23 THR 44 2HG2 THR 44 -10.197 0.443 -2.645
344 H GLU 45 H GLU 45 -11.657 -2.091 1.353
345 HA GLU 45 HA GLU 45 -9.696 -0.750 3.002
346 HB2 GLU 45 2HB GLU 45 -11.103 -3.395 3.305
347 HB3 GLU 45 1HB GLU 45 -9.979 -2.755 4.484
348 HG2 GLU 45 2HG GLU 45 -11.454 -0.818 4.798
349 HG3 GLU 45 1HG GLU 45 -12.597 -1.534 3.660
350 H ASN 46 H ASN 46 -9.589 -2.621 0.341
351 HA ASN 46 HA ASN 46 -7.311 -4.243 0.940
352 HB2 ASN 46 2HB ASN 46 -9.029 -4.806 -0.786
353 HB3 ASN 46 1HB ASN 46 -8.512 -3.417 -1.723
354 HD21 ASN 46 1HD2 ASN 46 -7.677 -6.591 -0.600
355 HD22 ASN 46 2HD2 ASN 46 -6.378 -6.861 -1.703
356 H ASN 47 H ASN 47 -7.894 -0.958 0.173
357 HA ASN 47 HA ASN 47 -5.050 -0.491 -0.231
358 HB2 ASN 47 2HB ASN 47 -6.305 0.064 -2.208
359 HB3 ASN 47 1HB ASN 47 -7.437 1.058 -1.286
360 HD21 ASN 47 1HD2 ASN 47 -6.617 3.027 -0.390
361 HD22 ASN 47 2HD2 ASN 47 -5.234 3.787 -1.095
362 H LYS 48 H LYS 48 -4.425 0.049 1.678
363 HA LYS 48 HA LYS 48 -6.133 1.395 3.611
364 HB2 LYS 48 2HB LYS 48 -3.226 0.591 3.831
365 HB3 LYS 48 1HB LYS 48 -4.280 1.065 5.154
366 HG2 LYS 48 2HG LYS 48 -5.645 -0.921 4.809
367 HG3 LYS 48 1HG LYS 48 -4.648 -1.382 3.431
368 HD2 LYS 48 2HD LYS 48 -3.981 -2.678 5.362
369 HD3 LYS 48 1HD LYS 48 -2.695 -1.543 4.962
370 HE2 LYS 48 2HE LYS 48 -3.502 -0.032 6.732
371 HE3 LYS 48 1HE LYS 48 -4.767 -1.194 7.128
372 HZ1 LYS 48 3HZ LYS 48 -1.839 -1.626 7.364
373 HZ2 LYS 48 1HZ LYS 48 -3.004 -2.798 7.696
374 HZ3 LYS 48 2HZ LYS 48 -2.914 -1.391 8.626
375 H CYS 49 H CYS 49 -6.160 3.571 3.868
376 HA CYS 49 HA CYS 49 -4.014 5.136 2.578
377 HB2 CYS 49 2HB CYS 49 -6.707 6.152 3.437
378 HB3 CYS 49 1HB CYS 49 -5.557 6.913 2.356
379 H CYS 50 H CYS 50 -2.780 6.386 3.900
380 HA CYS 50 HA CYS 50 -3.948 7.306 6.380
381 HB2 CYS 50 2HB CYS 50 -1.719 6.837 7.512
382 HB3 CYS 50 1HB CYS 50 -2.693 5.421 7.131
383 H SER 51 H SER 51 -3.127 9.363 7.035
384 HA SER 51 HA SER 51 -1.762 10.701 4.822
385 HB2 SER 51 2HB SER 51 -3.103 12.724 5.708
386 HB3 SER 51 1HB SER 51 -3.952 11.480 4.789
387 HG SER 51 HG SER 51 -3.858 11.821 7.595
388 H THR 52 H THR 52 -0.069 9.651 6.627
389 HA THR 52 HA THR 52 1.045 12.060 7.849
390 HB THR 52 HB THR 52 1.303 9.386 9.169
391 HG1 THR 52 1HG THR 52 -0.996 10.188 9.070
392 HG21 THR 52 3HG2 THR 52 2.896 11.108 9.818
393 HG22 THR 52 1HG2 THR 52 1.828 10.738 11.172
394 HG23 THR 52 2HG2 THR 52 1.578 12.204 10.228
395 H ASP 53 H ASP 53 3.325 11.931 7.770
396 HA ASP 53 HA ASP 53 4.209 10.420 5.524
397 HB2 ASP 53 2HB ASP 53 6.396 11.384 5.771
398 HB3 ASP 53 1HB ASP 53 5.215 12.651 6.047
399 H ARG 54 H ARG 54 5.367 8.683 5.342
400 HA ARG 54 HA ARG 54 6.127 6.667 5.758
401 HB2 ARG 54 2HB ARG 54 7.123 8.097 8.200
402 HB3 ARG 54 1HB ARG 54 7.543 6.420 7.850
403 HG2 ARG 54 2HG ARG 54 8.580 7.032 5.793
404 HG3 ARG 54 1HG ARG 54 7.974 8.669 5.922
405 HD2 ARG 54 2HD ARG 54 9.843 7.505 7.968
406 HD3 ARG 54 1HD ARG 54 10.414 8.333 6.521
407 HE ARG 54 HE ARG 54 8.494 9.892 7.934
408 HH11 ARG 54 1HH1 ARG 54 11.947 8.998 7.995
409 HH12 ARG 54 2HH1 ARG 54 12.417 10.444 8.746
410 HH21 ARG 54 1HH2 ARG 54 9.154 11.819 8.885
411 HH22 ARG 54 2HH2 ARG 54 10.805 12.090 9.269
412 H CYS 55 H CYS 55 3.362 7.440 6.814
413 HA CYS 55 HA CYS 55 2.855 5.758 9.029
414 HB2 CYS 55 2HB CYS 55 0.491 5.950 8.346
415 HB3 CYS 55 1HB CYS 55 1.307 7.513 8.379
416 H ASN 56 H ASN 56 3.210 5.149 5.639
417 HA ASN 56 HA ASN 56 1.927 2.622 5.826
418 HB2 ASN 56 2HB ASN 56 2.367 2.345 3.414
419 HB3 ASN 56 1HB ASN 56 1.593 3.876 3.771
420 HD21 ASN 56 1HD2 ASN 56 2.850 3.325 1.435
421 HD22 ASN 56 2HD2 ASN 56 4.263 4.292 1.241
422 H LYS 57 H LYS 57 3.574 2.375 7.594
423 HA LYS 57 HA LYS 57 6.038 1.182 6.664
424 HB2 LYS 57 2HB LYS 57 6.665 1.218 9.125
425 HB3 LYS 57 1HB LYS 57 6.459 2.782 8.350
426 HG2 LYS 57 2HG LYS 57 4.293 3.051 9.366
427 HG3 LYS 57 1HG LYS 57 4.386 1.438 10.066
428 HD2 LYS 57 2HD LYS 57 4.909 3.099 11.762
429 HD3 LYS 57 1HD LYS 57 6.357 2.171 11.383
430 HE2 LYS 57 2HE LYS 57 7.146 3.957 9.939
431 HE3 LYS 57 1HE LYS 57 5.677 4.879 10.244
432 HZ1 LYS 57 3HZ LYS 57 7.496 5.662 11.564
433 HZ2 LYS 57 1HZ LYS 57 7.728 4.137 12.243
434 HZ3 LYS 57 2HZ LYS 57 6.313 5.003 12.576
Start of MODEL 11
1 H1 LEU 1 1HT LEU 1 4.198 14.372 1.061
2 H2 LEU 1 2HT LEU 1 5.077 15.045 2.349
3 H3 LEU 1 3HT LEU 1 3.385 14.975 2.409
4 HA LEU 1 HA LEU 1 4.497 13.275 3.737
5 HB2 LEU 1 2HB LEU 1 2.804 12.407 1.426
6 HB3 LEU 1 1HB LEU 1 3.354 11.291 2.650
7 HG LEU 1 HG LEU 1 1.575 13.670 3.107
8 HD11 LEU 1 2HD1 LEU 1 0.509 11.815 1.944
9 HD12 LEU 1 3HD1 LEU 1 -0.091 11.953 3.602
10 HD13 LEU 1 1HD1 LEU 1 1.089 10.707 3.188
11 HD21 LEU 1 1HD2 LEU 1 1.375 12.720 5.383
12 HD22 LEU 1 2HD2 LEU 1 2.996 13.304 5.011
13 HD23 LEU 1 3HD2 LEU 1 2.663 11.579 4.970
14 H LYS 2 H LYS 2 6.061 12.028 3.977
15 HA LYS 2 HA LYS 2 7.320 11.005 1.595
16 HB2 LYS 2 2HB LYS 2 9.392 10.681 3.041
17 HB3 LYS 2 1HB LYS 2 8.940 12.347 2.737
18 HG2 LYS 2 2HG LYS 2 7.933 12.480 4.966
19 HG3 LYS 2 1HG LYS 2 8.383 10.799 5.254
20 HD2 LYS 2 2HD LYS 2 10.721 11.360 5.028
21 HD3 LYS 2 1HD LYS 2 10.309 13.036 4.666
22 HE2 LYS 2 2HE LYS 2 9.617 11.627 7.237
23 HE3 LYS 2 1HE LYS 2 11.043 12.632 7.024
24 HZ1 LYS 2 3HZ LYS 2 9.537 14.498 6.497
25 HZ2 LYS 2 1HZ LYS 2 9.338 13.897 8.050
26 HZ3 LYS 2 2HZ LYS 2 8.195 13.538 6.890
27 H CYS 3 H CYS 3 6.911 8.949 1.197
28 HA CYS 3 HA CYS 3 6.064 7.264 3.464
29 HB2 CYS 3 2HB CYS 3 4.673 7.174 0.797
30 HB3 CYS 3 1HB CYS 3 4.108 6.598 2.363
31 H PHE 4 H PHE 4 5.995 4.880 2.823
32 HA PHE 4 HA PHE 4 8.496 4.290 1.500
33 HB2 PHE 4 2HB PHE 4 6.476 2.401 2.730
34 HB3 PHE 4 1HB PHE 4 8.079 1.974 2.160
35 HD1 PHE 4 2HD PHE 4 10.066 2.805 3.371
36 HD2 PHE 4 1HD PHE 4 6.125 3.302 4.863
37 HE1 PHE 4 2HE PHE 4 10.972 3.220 5.609
38 HE2 PHE 4 1HE PHE 4 7.020 3.713 7.100
39 HZ PHE 4 HZ PHE 4 9.454 3.673 7.480
40 H GLN 5 H GLN 5 8.014 4.812 -0.625
41 HA GLN 5 HA GLN 5 5.830 3.411 -1.960
42 HB2 GLN 5 2HB GLN 5 6.512 5.652 -2.720
43 HB3 GLN 5 1HB GLN 5 8.073 5.005 -3.199
44 HG2 GLN 5 2HG GLN 5 6.949 3.556 -4.837
45 HG3 GLN 5 1HG GLN 5 5.402 4.257 -4.381
46 HE21 GLN 5 1HE2 GLN 5 8.408 6.077 -4.688
47 HE22 GLN 5 2HE2 GLN 5 7.909 6.984 -6.054
48 H HIS 6 H HIS 6 9.347 3.139 -1.958
49 HA HIS 6 HA HIS 6 9.108 0.628 -3.512
50 HB2 HIS 6 2HB HIS 6 11.592 2.278 -2.938
51 HB3 HIS 6 1HB HIS 6 11.515 0.854 -3.961
52 HD1 HIS 6 1HD HIS 6 12.027 4.201 -4.463
53 HD2 HIS 6 2HD HIS 6 9.183 1.579 -5.996
54 HE1 HIS 6 1HE HIS 6 11.192 5.243 -6.607
55 H GLY 7 H GLY 7 8.725 1.260 -0.583
56 HA2 GLY 7 2HA GLY 7 9.054 -0.121 1.314
57 HA3 GLY 7 1HA GLY 7 10.473 -0.822 0.523
58 H LYS 8 H LYS 8 11.061 1.993 -0.298
59 HA LYS 8 HA LYS 8 12.531 2.869 2.083
60 HB2 LYS 8 2HB LYS 8 12.836 3.674 -0.811
61 HB3 LYS 8 1HB LYS 8 13.902 4.114 0.510
62 HG2 LYS 8 2HG LYS 8 14.647 1.838 0.726
63 HG3 LYS 8 1HG LYS 8 13.473 1.308 -0.486
64 HD2 LYS 8 2HD LYS 8 14.556 2.813 -2.119
65 HD3 LYS 8 1HD LYS 8 15.785 3.187 -0.912
66 HE2 LYS 8 2HE LYS 8 16.497 0.882 -0.874
67 HE3 LYS 8 1HE LYS 8 15.180 0.430 -1.959
68 HZ1 LYS 8 3HZ LYS 8 17.486 2.184 -2.618
69 HZ2 LYS 8 1HZ LYS 8 16.139 1.915 -3.605
70 HZ3 LYS 8 2HZ LYS 8 17.159 0.640 -3.222
71 H VAL 9 H VAL 9 12.541 5.199 2.388
72 HA VAL 9 HA VAL 9 9.901 6.316 2.102
73 HB VAL 9 HB VAL 9 12.383 7.500 3.369
74 HG11 VAL 9 1HG1 VAL 9 10.763 9.188 2.806
75 HG12 VAL 9 2HG1 VAL 9 10.811 8.960 4.558
76 HG13 VAL 9 3HG1 VAL 9 9.487 8.279 3.611
77 HG21 VAL 9 3HG2 VAL 9 11.781 5.446 4.473
78 HG22 VAL 9 1HG2 VAL 9 10.102 5.972 4.592
79 HG23 VAL 9 2HG2 VAL 9 11.349 6.820 5.496
80 H VAL 10 H VAL 10 9.318 7.493 0.429
81 HA VAL 10 HA VAL 10 11.361 9.035 -1.014
82 HB VAL 10 HB VAL 10 10.112 8.764 -3.068
83 HG11 VAL 10 1HG1 VAL 10 10.477 6.102 -1.715
84 HG12 VAL 10 2HG1 VAL 10 11.697 7.010 -2.606
85 HG13 VAL 10 3HG1 VAL 10 10.300 6.342 -3.453
86 HG21 VAL 10 3HG2 VAL 10 8.113 7.147 -1.481
87 HG22 VAL 10 1HG2 VAL 10 8.094 7.370 -3.231
88 HG23 VAL 10 2HG2 VAL 10 7.845 8.750 -2.163
89 H THR 11 H THR 11 10.665 11.099 -1.782
90 HA THR 11 HA THR 11 8.679 12.277 -0.060
91 HB THR 11 HB THR 11 10.344 13.614 -2.213
92 HG1 THR 11 1HG THR 11 11.450 12.446 -0.423
93 HG21 THR 11 3HG2 THR 11 9.906 15.645 -0.886
94 HG22 THR 11 1HG2 THR 11 8.931 14.701 0.239
95 HG23 THR 11 2HG2 THR 11 8.398 14.910 -1.428
96 H CYS 12 H CYS 12 6.636 12.099 -0.646
97 HA CYS 12 HA CYS 12 5.872 11.885 -3.414
98 HB2 CYS 12 2HB CYS 12 4.281 11.702 -0.855
99 HB3 CYS 12 1HB CYS 12 3.662 11.354 -2.476
100 H HIS 13 H HIS 13 4.602 13.291 -4.503
101 HA HIS 13 HA HIS 13 5.269 15.989 -3.931
102 HB2 HIS 13 2HB HIS 13 5.179 14.912 -6.230
103 HB3 HIS 13 1HB HIS 13 3.427 15.013 -6.123
104 HD1 HIS 13 1HD HIS 13 2.488 17.121 -7.247
105 HD2 HIS 13 2HD HIS 13 6.375 17.615 -5.803
106 HE1 HIS 13 1HE HIS 13 3.134 19.464 -7.756
107 H ARG 14 H ARG 14 3.500 17.717 -4.341
108 HA ARG 14 HA ARG 14 1.788 17.702 -2.100
109 HB2 ARG 14 2HB ARG 14 1.941 19.631 -4.416
110 HB3 ARG 14 1HB ARG 14 1.076 19.928 -2.914
111 HG2 ARG 14 2HG ARG 14 3.183 19.773 -1.680
112 HG3 ARG 14 1HG ARG 14 4.041 19.473 -3.189
113 HD2 ARG 14 2HD ARG 14 3.313 21.683 -4.004
114 HD3 ARG 14 1HD ARG 14 2.515 21.972 -2.457
115 HE ARG 14 HE ARG 14 5.173 21.263 -1.996
116 HH11 ARG 14 1HH1 ARG 14 3.331 24.023 -3.279
117 HH12 ARG 14 2HH1 ARG 14 4.530 25.163 -2.875
118 HH21 ARG 14 1HH2 ARG 14 6.821 22.850 -1.505
119 HH22 ARG 14 2HH2 ARG 14 6.548 24.489 -1.889
120 H ASP 15 H ASP 15 1.314 16.459 -5.170
121 HA ASP 15 HA ASP 15 -1.540 16.731 -5.388
122 HB2 ASP 15 2HB ASP 15 0.410 14.756 -6.599
123 HB3 ASP 15 1HB ASP 15 -1.310 14.727 -6.931
124 H MET 16 H MET 16 0.712 14.682 -3.847
125 HA MET 16 HA MET 16 -1.191 12.612 -3.285
126 HB2 MET 16 2HB MET 16 1.777 12.901 -2.949
127 HB3 MET 16 1HB MET 16 0.987 11.574 -2.160
128 HG2 MET 16 2HG MET 16 1.819 10.790 -4.161
129 HG3 MET 16 1HG MET 16 0.077 10.896 -4.340
130 HE1 MET 16 3HE MET 16 1.654 10.392 -6.733
131 HE2 MET 16 1HE MET 16 1.086 11.590 -7.924
132 HE3 MET 16 2HE MET 16 -0.057 10.832 -6.796
133 H LYS 17 H LYS 17 -2.461 12.747 -1.671
134 HA LYS 17 HA LYS 17 -1.744 14.423 0.616
135 HB2 LYS 17 2HB LYS 17 -4.410 13.355 -0.283
136 HB3 LYS 17 1HB LYS 17 -4.148 14.323 1.154
137 HG2 LYS 17 2HG LYS 17 -3.394 16.180 -0.238
138 HG3 LYS 17 1HG LYS 17 -3.667 15.202 -1.683
139 HD2 LYS 17 2HD LYS 17 -6.038 15.025 -1.119
140 HD3 LYS 17 1HD LYS 17 -5.769 15.978 0.339
141 HE2 LYS 17 2HE LYS 17 -5.317 16.921 -2.488
142 HE3 LYS 17 1HE LYS 17 -6.707 17.321 -1.485
143 HZ1 LYS 17 3HZ LYS 17 -5.230 18.439 0.059
144 HZ2 LYS 17 1HZ LYS 17 -5.076 19.087 -1.478
145 HZ3 LYS 17 2HZ LYS 17 -3.882 18.063 -0.886
146 H PHE 18 H PHE 18 -2.007 11.191 -0.350
147 HA PHE 18 HA PHE 18 -2.151 10.327 2.461
148 HB2 PHE 18 2HB PHE 18 -3.470 8.883 0.162
149 HB3 PHE 18 1HB PHE 18 -3.583 8.507 1.871
150 HD1 PHE 18 2HD PHE 18 -5.015 9.857 3.332
151 HD2 PHE 18 1HD PHE 18 -4.783 10.596 -0.848
152 HE1 PHE 18 2HE PHE 18 -7.082 11.186 3.446
153 HE2 PHE 18 1HE PHE 18 -6.851 11.917 -0.740
154 HZ PHE 18 HZ PHE 18 -8.002 12.214 1.409
155 H CYS 19 H CYS 19 -0.772 8.665 2.907
156 HA CYS 19 HA CYS 19 0.870 7.573 0.749
157 HB2 CYS 19 2HB CYS 19 0.841 6.715 3.666
158 HB3 CYS 19 1HB CYS 19 2.073 6.446 2.441
159 H TYR 20 H TYR 20 0.433 5.348 0.082
160 HA TYR 20 HA TYR 20 -1.669 4.140 1.663
161 HB2 TYR 20 2HB TYR 20 -2.832 3.229 -0.238
162 HB3 TYR 20 1HB TYR 20 -2.746 4.971 -0.377
163 HD1 TYR 20 1HD TYR 20 -1.637 1.751 -1.834
164 HD2 TYR 20 2HD TYR 20 -1.498 5.972 -2.148
165 HE1 TYR 20 1HE TYR 20 -0.877 1.541 -4.139
166 HE2 TYR 20 2HE TYR 20 -0.732 5.783 -4.457
167 HH TYR 20 HH TYR 20 0.406 4.145 -5.910
168 H HIS 21 H HIS 21 -1.696 2.115 1.921
169 HA HIS 21 HA HIS 21 0.505 0.544 0.825
170 HB2 HIS 21 2HB HIS 21 0.814 0.901 3.257
171 HB3 HIS 21 1HB HIS 21 -0.825 0.351 3.562
172 HD1 HIS 21 1HD HIS 21 0.500 -1.342 5.227
173 HD2 HIS 21 2HD HIS 21 1.070 -1.953 1.158
174 HE1 HIS 21 1HE HIS 21 1.385 -3.688 4.996
175 H ASN 22 H ASN 22 -0.548 -0.357 -0.815
176 HA ASN 22 HA ASN 22 -3.151 -1.543 -0.285
177 HB2 ASN 22 2HB ASN 22 -3.051 0.008 -2.212
178 HB3 ASN 22 1HB ASN 22 -1.791 -0.955 -2.946
179 HD21 ASN 22 1HD2 ASN 22 -5.090 -0.653 -2.241
180 HD22 ASN 22 2HD2 ASN 22 -5.699 -1.961 -3.200
181 H THR 23 H THR 23 -3.410 -3.676 -0.538
182 HA THR 23 HA THR 23 -1.412 -5.353 -1.553
183 HB THR 23 HB THR 23 -0.397 -4.714 0.637
184 HG1 THR 23 1HG THR 23 0.037 -6.750 -0.094
185 HG21 THR 23 3HG2 THR 23 -2.398 -4.208 1.940
186 HG22 THR 23 1HG2 THR 23 -1.454 -5.444 2.767
187 HG23 THR 23 2HG2 THR 23 -2.906 -5.895 1.872
188 H GLY 24 H GLY 24 -2.299 -7.672 -0.375
189 HA2 GLY 24 2HA GLY 24 -5.216 -7.577 -0.562
190 HA3 GLY 24 1HA GLY 24 -4.344 -8.645 -1.662
191 H MET 25 H MET 25 -5.049 -10.533 -0.835
192 HA MET 25 HA MET 25 -4.588 -11.083 1.971
193 HB2 MET 25 2HB MET 25 -5.629 -12.799 -0.296
194 HB3 MET 25 1HB MET 25 -5.412 -13.384 1.343
195 HG2 MET 25 2HG MET 25 -7.023 -11.710 2.130
196 HG3 MET 25 1HG MET 25 -7.263 -11.184 0.465
197 HE1 MET 25 3HE MET 25 -9.900 -11.564 0.813
198 HE2 MET 25 1HE MET 25 -9.571 -12.101 2.462
199 HE3 MET 25 2HE MET 25 -10.578 -13.084 1.405
200 HA PRO 26 HA PRO 26 -0.604 -12.842 1.250
201 HB2 PRO 26 2HB PRO 26 -0.543 -14.911 3.021
202 HB3 PRO 26 1HB PRO 26 -0.353 -13.226 3.511
203 HG2 PRO 26 2HG PRO 26 -2.767 -14.971 3.610
204 HG3 PRO 26 1HG PRO 26 -2.185 -13.799 4.811
205 HD2 PRO 26 2HD PRO 26 -4.214 -13.259 3.105
206 HD3 PRO 26 1HD PRO 26 -3.090 -12.011 3.678
207 H PHE 27 H PHE 27 -0.519 -13.728 -0.685
208 HA PHE 27 HA PHE 27 -1.671 -16.389 -1.090
209 HB2 PHE 27 2HB PHE 27 -0.787 -14.315 -3.091
210 HB3 PHE 27 1HB PHE 27 -1.438 -15.898 -3.519
211 HD1 PHE 27 2HD PHE 27 -3.806 -16.273 -2.105
212 HD2 PHE 27 1HD PHE 27 -2.190 -12.583 -3.468
213 HE1 PHE 27 2HE PHE 27 -6.062 -15.301 -2.136
214 HE2 PHE 27 1HE PHE 27 -4.443 -11.600 -3.494
215 HZ PHE 27 HZ PHE 27 -6.384 -12.956 -2.832
216 H ARG 28 H ARG 28 -0.337 -18.038 -1.680
217 HA ARG 28 HA ARG 28 2.340 -17.905 -0.810
218 HB2 ARG 28 2HB ARG 28 1.126 -19.976 -2.630
219 HB3 ARG 28 1HB ARG 28 2.628 -20.146 -1.740
220 HG2 ARG 28 2HG ARG 28 1.285 -19.927 0.373
221 HG3 ARG 28 1HG ARG 28 -0.164 -20.014 -0.633
222 HD2 ARG 28 2HD ARG 28 0.334 -22.219 0.219
223 HD3 ARG 28 1HD ARG 28 0.641 -22.186 -1.521
224 HE ARG 28 HE ARG 28 2.867 -21.655 0.252
225 HH11 ARG 28 1HH1 ARG 28 1.275 -24.079 -1.805
226 HH12 ARG 28 2HH1 ARG 28 2.651 -25.058 -1.954
227 HH21 ARG 28 1HH2 ARG 28 4.755 -23.009 0.044
228 HH22 ARG 28 2HH2 ARG 28 4.683 -24.437 -0.863
229 H ASN 29 H ASN 29 4.074 -17.189 -1.712
230 HA ASN 29 HA ASN 29 5.621 -16.499 -3.125
231 HB2 ASN 29 2HB ASN 29 4.163 -18.248 -5.079
232 HB3 ASN 29 1HB ASN 29 5.591 -17.327 -5.546
233 HD21 ASN 29 1HD2 ASN 29 6.791 -19.150 -5.962
234 HD22 ASN 29 2HD2 ASN 29 7.367 -20.199 -4.731
235 H LEU 30 H LEU 30 2.706 -15.290 -3.116
236 HA LEU 30 HA LEU 30 3.446 -13.377 -5.188
237 HB2 LEU 30 2HB LEU 30 1.464 -14.608 -5.898
238 HB3 LEU 30 1HB LEU 30 0.651 -14.208 -4.404
239 HG LEU 30 HG LEU 30 0.696 -11.808 -5.061
240 HD11 LEU 30 1HD1 LEU 30 1.203 -11.215 -7.378
241 HD12 LEU 30 2HD1 LEU 30 1.768 -12.859 -7.673
242 HD13 LEU 30 3HD1 LEU 30 2.621 -11.825 -6.528
243 HD21 LEU 30 3HD2 LEU 30 -1.276 -13.176 -5.501
244 HD22 LEU 30 1HD2 LEU 30 -0.603 -13.656 -7.058
245 HD23 LEU 30 2HD2 LEU 30 -1.044 -11.974 -6.769
246 H LYS 31 H LYS 31 4.549 -12.148 -3.807
247 HA LYS 31 HA LYS 31 3.205 -11.002 -1.510
248 HB2 LYS 31 2HB LYS 31 5.937 -10.432 -2.692
249 HB3 LYS 31 1HB LYS 31 5.328 -9.742 -1.204
250 HG2 LYS 31 2HG LYS 31 5.783 -12.682 -1.678
251 HG3 LYS 31 1HG LYS 31 6.928 -11.606 -0.885
252 HD2 LYS 31 2HD LYS 31 4.120 -12.186 0.078
253 HD3 LYS 31 1HD LYS 31 5.585 -12.924 0.719
254 HE2 LYS 31 2HE LYS 31 6.390 -10.647 1.328
255 HE3 LYS 31 1HE LYS 31 4.838 -10.003 0.803
256 HZ1 LYS 31 3HZ LYS 31 3.753 -11.340 2.475
257 HZ2 LYS 31 1HZ LYS 31 4.902 -10.365 3.210
258 HZ3 LYS 31 2HZ LYS 31 5.203 -12.004 2.959
259 H LEU 32 H LEU 32 1.532 -9.927 -2.558
260 HA LEU 32 HA LEU 32 2.277 -7.972 -4.511
261 HB2 LEU 32 2HB LEU 32 -0.061 -7.357 -4.767
262 HB3 LEU 32 1HB LEU 32 0.156 -9.078 -4.925
263 HG LEU 32 HG LEU 32 -0.920 -7.772 -2.417
264 HD11 LEU 32 1HD1 LEU 32 -3.127 -8.383 -3.252
265 HD12 LEU 32 2HD1 LEU 32 -2.399 -8.976 -4.743
266 HD13 LEU 32 3HD1 LEU 32 -2.324 -7.257 -4.349
267 HD21 LEU 32 3HD2 LEU 32 -1.832 -10.035 -2.022
268 HD22 LEU 32 1HD2 LEU 32 -0.068 -10.025 -2.087
269 HD23 LEU 32 2HD2 LEU 32 -0.994 -10.600 -3.471
270 H ILE 33 H ILE 33 3.034 -6.227 -4.095
271 HA ILE 33 HA ILE 33 2.311 -4.753 -1.678
272 HB ILE 33 HB ILE 33 5.050 -5.241 -2.861
273 HG12 ILE 33 2HG1 ILE 33 4.277 -6.739 -1.073
274 HG13 ILE 33 1HG1 ILE 33 5.671 -5.788 -0.565
275 HG21 ILE 33 1HG2 ILE 33 4.905 -2.830 -2.642
276 HG22 ILE 33 2HG2 ILE 33 6.015 -3.495 -1.443
277 HG23 ILE 33 3HG2 ILE 33 4.394 -2.992 -0.961
278 HD11 ILE 33 3HD1 ILE 33 2.788 -5.335 0.196
279 HD12 ILE 33 1HD1 ILE 33 4.110 -4.227 0.555
280 HD13 ILE 33 2HD1 ILE 33 4.112 -5.853 1.245
281 H LEU 34 H LEU 34 1.152 -3.110 -2.305
282 HA LEU 34 HA LEU 34 2.178 -1.509 -4.506
283 HB2 LEU 34 2HB LEU 34 -0.662 -2.154 -3.795
284 HB3 LEU 34 1HB LEU 34 -0.260 -0.801 -4.854
285 HG LEU 34 HG LEU 34 0.209 -3.748 -5.363
286 HD11 LEU 34 1HD1 LEU 34 -2.136 -3.100 -5.478
287 HD12 LEU 34 2HD1 LEU 34 -1.507 -3.475 -7.085
288 HD13 LEU 34 3HD1 LEU 34 -1.730 -1.796 -6.589
289 HD21 LEU 34 3HD2 LEU 34 0.722 -1.350 -7.119
290 HD22 LEU 34 1HD2 LEU 34 0.827 -3.033 -7.631
291 HD23 LEU 34 2HD2 LEU 34 1.940 -2.415 -6.416
292 H GLN 35 H GLN 35 3.351 -0.757 -2.591
293 HA GLN 35 HA GLN 35 1.845 1.085 -0.919
294 HB2 GLN 35 2HB GLN 35 4.757 0.317 -0.960
295 HB3 GLN 35 1HB GLN 35 4.042 1.462 0.166
296 HG2 GLN 35 2HG GLN 35 2.686 -0.305 1.101
297 HG3 GLN 35 1HG GLN 35 3.334 -1.451 -0.071
298 HE21 GLN 35 1HE2 GLN 35 5.291 1.021 1.423
299 HE22 GLN 35 2HE2 GLN 35 6.209 -0.051 2.421
300 H GLY 36 H GLY 36 1.476 3.008 -1.773
301 HA2 GLY 36 2HA GLY 36 3.708 4.394 -3.039
302 HA3 GLY 36 1HA GLY 36 2.218 4.232 -3.968
303 H CYS 37 H CYS 37 2.195 6.543 -3.943
304 HA CYS 37 HA CYS 37 0.902 7.456 -1.501
305 HB2 CYS 37 2HB CYS 37 2.730 9.053 -3.318
306 HB3 CYS 37 1HB CYS 37 1.753 9.732 -2.019
307 H SER 38 H SER 38 -0.977 8.491 -1.728
308 HA SER 38 HA SER 38 -2.084 8.367 -4.441
309 HB2 SER 38 2HB SER 38 -3.048 6.664 -3.007
310 HB3 SER 38 1HB SER 38 -3.468 7.875 -1.792
311 HG SER 38 HG SER 38 -4.781 7.064 -3.964
312 H SER 39 H SER 39 -3.347 9.978 -5.151
313 HA SER 39 HA SER 39 -3.152 12.535 -3.843
314 HB2 SER 39 2HB SER 39 -4.459 11.738 -6.464
315 HB3 SER 39 1HB SER 39 -3.953 13.356 -5.957
316 HG SER 39 HG SER 39 -1.914 12.845 -6.201
317 H SER 40 H SER 40 -5.452 10.043 -4.650
318 HA SER 40 HA SER 40 -7.321 11.026 -2.731
319 HB2 SER 40 2HB SER 40 -9.203 10.751 -4.462
320 HB3 SER 40 1HB SER 40 -8.204 12.197 -4.604
321 HG SER 40 HG SER 40 -7.409 9.918 -6.025
322 H CYS 41 H CYS 41 -8.030 9.326 -1.636
323 HA CYS 41 HA CYS 41 -6.951 6.751 -2.334
324 HB2 CYS 41 2HB CYS 41 -6.748 7.540 -0.057
325 HB3 CYS 41 1HB CYS 41 -8.494 7.672 0.088
326 H SER 42 H SER 42 -8.026 4.841 -2.621
327 HA SER 42 HA SER 42 -10.772 4.963 -3.498
328 HB2 SER 42 2HB SER 42 -8.845 2.631 -3.351
329 HB3 SER 42 1HB SER 42 -10.360 2.680 -4.253
330 HG SER 42 HG SER 42 -8.795 4.755 -4.885
331 H GLU 43 H GLU 43 -12.315 4.641 -2.000
332 HA GLU 43 HA GLU 43 -11.654 3.996 0.660
333 HB2 GLU 43 2HB GLU 43 -14.079 4.175 1.115
334 HB3 GLU 43 1HB GLU 43 -13.427 5.545 0.231
335 HG2 GLU 43 2HG GLU 43 -14.290 4.584 -1.839
336 HG3 GLU 43 1HG GLU 43 -14.961 3.260 -0.885
337 H THR 44 H THR 44 -10.938 2.075 1.083
338 HA THR 44 HA THR 44 -12.698 -0.205 0.752
339 HB THR 44 HB THR 44 -10.463 -1.480 0.222
340 HG1 THR 44 1HG THR 44 -9.909 1.152 -0.700
341 HG21 THR 44 3HG2 THR 44 -12.367 -1.364 -1.336
342 HG22 THR 44 1HG2 THR 44 -10.836 -1.216 -2.196
343 HG23 THR 44 2HG2 THR 44 -11.818 0.217 -1.889
344 H GLU 45 H GLU 45 -11.402 -2.125 2.016
345 HA GLU 45 HA GLU 45 -10.941 -0.941 4.640
346 HB2 GLU 45 2HB GLU 45 -11.430 -3.797 3.819
347 HB3 GLU 45 1HB GLU 45 -11.164 -3.265 5.470
348 HG2 GLU 45 2HG GLU 45 -13.442 -2.465 3.686
349 HG3 GLU 45 1HG GLU 45 -13.517 -3.594 5.039
350 H ASN 46 H ASN 46 -9.481 -3.336 2.496
351 HA ASN 46 HA ASN 46 -7.230 -3.704 4.219
352 HB2 ASN 46 2HB ASN 46 -8.265 -5.474 2.785
353 HB3 ASN 46 1HB ASN 46 -7.603 -4.655 1.378
354 HD21 ASN 46 1HD2 ASN 46 -6.401 -6.414 0.830
355 HD22 ASN 46 2HD2 ASN 46 -4.998 -6.925 1.700
356 H ASN 47 H ASN 47 -7.950 -1.643 1.484
357 HA ASN 47 HA ASN 47 -5.180 -1.029 1.037
358 HB2 ASN 47 2HB ASN 47 -6.566 -0.936 -0.894
359 HB3 ASN 47 1HB ASN 47 -7.766 0.054 -0.075
360 HD21 ASN 47 1HD2 ASN 47 -7.512 2.218 -0.078
361 HD22 ASN 47 2HD2 ASN 47 -6.240 3.050 -0.872
362 H LYS 48 H LYS 48 -4.194 0.021 2.505
363 HA LYS 48 HA LYS 48 -5.622 1.733 4.350
364 HB2 LYS 48 2HB LYS 48 -2.814 0.686 4.278
365 HB3 LYS 48 1HB LYS 48 -3.417 1.783 5.525
366 HG2 LYS 48 2HG LYS 48 -5.060 0.078 6.175
367 HG3 LYS 48 1HG LYS 48 -4.441 -0.990 4.914
368 HD2 LYS 48 2HD LYS 48 -3.504 -1.589 7.092
369 HD3 LYS 48 1HD LYS 48 -2.242 -0.998 6.012
370 HE2 LYS 48 2HE LYS 48 -2.345 1.200 7.092
371 HE3 LYS 48 1HE LYS 48 -3.615 0.616 8.165
372 HZ1 LYS 48 3HZ LYS 48 -2.041 -0.946 9.108
373 HZ2 LYS 48 1HZ LYS 48 -1.415 0.615 9.191
374 HZ3 LYS 48 2HZ LYS 48 -0.855 -0.461 8.024
375 H CYS 49 H CYS 49 -5.765 3.835 4.027
376 HA CYS 49 HA CYS 49 -3.547 5.226 2.684
377 HB2 CYS 49 2HB CYS 49 -6.471 5.996 2.710
378 HB3 CYS 49 1HB CYS 49 -5.175 6.878 1.919
379 H CYS 50 H CYS 50 -2.594 6.654 3.990
380 HA CYS 50 HA CYS 50 -4.178 7.848 6.090
381 HB2 CYS 50 2HB CYS 50 -2.130 7.424 7.622
382 HB3 CYS 50 1HB CYS 50 -3.259 6.102 7.317
383 H SER 51 H SER 51 -3.172 9.798 7.004
384 HA SER 51 HA SER 51 -1.761 11.205 4.867
385 HB2 SER 51 2HB SER 51 -2.786 13.208 6.145
386 HB3 SER 51 1HB SER 51 -3.839 12.173 5.176
387 HG SER 51 HG SER 51 -4.891 11.795 6.885
388 H THR 52 H THR 52 -0.191 9.698 6.894
389 HA THR 52 HA THR 52 1.316 11.978 7.897
390 HB THR 52 HB THR 52 1.941 10.307 9.861
391 HG1 THR 52 1HG THR 52 -0.742 9.625 9.313
392 HG21 THR 52 3HG2 THR 52 0.194 11.360 11.258
393 HG22 THR 52 1HG2 THR 52 -0.622 11.917 9.798
394 HG23 THR 52 2HG2 THR 52 0.980 12.532 10.201
395 H ASP 53 H ASP 53 3.576 11.718 8.036
396 HA ASP 53 HA ASP 53 4.669 10.341 5.863
397 HB2 ASP 53 2HB ASP 53 6.113 11.380 8.311
398 HB3 ASP 53 1HB ASP 53 6.913 10.747 6.890
399 H ARG 54 H ARG 54 5.485 8.460 5.556
400 HA ARG 54 HA ARG 54 6.119 6.329 5.746
401 HB2 ARG 54 2HB ARG 54 6.892 7.137 8.541
402 HB3 ARG 54 1HB ARG 54 7.322 5.601 7.816
403 HG2 ARG 54 2HG ARG 54 8.532 6.881 6.039
404 HG3 ARG 54 1HG ARG 54 8.212 8.347 6.969
405 HD2 ARG 54 2HD ARG 54 9.743 5.925 7.927
406 HD3 ARG 54 1HD ARG 54 10.437 7.477 7.466
407 HE ARG 54 HE ARG 54 8.627 8.061 9.418
408 HH11 ARG 54 1HH1 ARG 54 11.481 5.962 9.258
409 HH12 ARG 54 2HH1 ARG 54 11.864 6.150 10.911
410 HH21 ARG 54 1HH2 ARG 54 9.166 8.302 11.661
411 HH22 ARG 54 2HH2 ARG 54 10.545 7.506 12.292
412 H CYS 55 H CYS 55 3.292 7.159 6.781
413 HA CYS 55 HA CYS 55 2.733 5.179 8.761
414 HB2 CYS 55 2HB CYS 55 0.427 5.855 8.537
415 HB3 CYS 55 1HB CYS 55 1.460 7.285 8.532
416 H ASN 56 H ASN 56 3.112 4.954 5.403
417 HA ASN 56 HA ASN 56 1.144 2.844 5.092
418 HB2 ASN 56 2HB ASN 56 1.623 2.856 2.729
419 HB3 ASN 56 1HB ASN 56 1.436 4.509 3.273
420 HD21 ASN 56 1HD2 ASN 56 2.693 3.420 0.946
421 HD22 ASN 56 2HD2 ASN 56 4.342 3.926 0.919
422 H LYS 57 H LYS 57 3.314 2.412 6.855
423 HA LYS 57 HA LYS 57 4.914 0.397 5.506
424 HB2 LYS 57 2HB LYS 57 6.165 0.175 7.608
425 HB3 LYS 57 1HB LYS 57 6.145 1.836 7.049
426 HG2 LYS 57 2HG LYS 57 4.539 2.452 8.722
427 HG3 LYS 57 1HG LYS 57 4.318 0.771 9.195
428 HD2 LYS 57 2HD LYS 57 6.884 2.350 9.474
429 HD3 LYS 57 1HD LYS 57 5.746 2.024 10.778
430 HE2 LYS 57 2HE LYS 57 7.348 -0.046 9.238
431 HE3 LYS 57 1HE LYS 57 7.643 0.492 10.881
432 HZ1 LYS 57 3HZ LYS 57 5.455 -0.448 11.516
433 HZ2 LYS 57 1HZ LYS 57 6.482 -1.615 10.875
434 HZ3 LYS 57 2HZ LYS 57 5.244 -1.012 9.946
Start of MODEL 12
1 H1 LEU 1 1HT LEU 1 5.179 15.007 2.353
2 H2 LEU 1 2HT LEU 1 3.499 15.025 2.307
3 H3 LEU 1 3HT LEU 1 4.366 14.420 0.993
4 HA LEU 1 HA LEU 1 4.279 13.296 3.695
5 HB2 LEU 1 2HB LEU 1 2.875 12.600 1.172
6 HB3 LEU 1 1HB LEU 1 3.321 11.323 2.280
7 HG LEU 1 HG LEU 1 1.618 13.688 3.061
8 HD11 LEU 1 2HD1 LEU 1 0.527 12.293 1.365
9 HD12 LEU 1 3HD1 LEU 1 -0.233 12.122 2.947
10 HD13 LEU 1 1HD1 LEU 1 0.849 10.864 2.350
11 HD21 LEU 1 1HD2 LEU 1 1.117 12.253 4.988
12 HD22 LEU 1 2HD2 LEU 1 2.826 12.661 4.904
13 HD23 LEU 1 3HD2 LEU 1 2.278 11.069 4.392
14 H LYS 2 H LYS 2 5.776 12.012 4.226
15 HA LYS 2 HA LYS 2 7.471 10.895 2.154
16 HB2 LYS 2 2HB LYS 2 9.042 10.508 4.211
17 HB3 LYS 2 1HB LYS 2 8.943 12.122 3.504
18 HG2 LYS 2 2HG LYS 2 7.418 12.763 5.236
19 HG3 LYS 2 1HG LYS 2 7.504 11.144 5.952
20 HD2 LYS 2 2HD LYS 2 9.872 11.456 6.377
21 HD3 LYS 2 1HD LYS 2 9.833 13.018 5.555
22 HE2 LYS 2 2HE LYS 2 8.294 13.870 7.241
23 HE3 LYS 2 1HE LYS 2 8.306 12.307 8.055
24 HZ1 LYS 2 3HZ LYS 2 10.655 14.097 7.707
25 HZ2 LYS 2 1HZ LYS 2 10.673 12.602 8.483
26 HZ3 LYS 2 2HZ LYS 2 9.788 13.882 9.119
27 H CYS 3 H CYS 3 6.961 8.894 1.689
28 HA CYS 3 HA CYS 3 6.134 7.103 3.843
29 HB2 CYS 3 2HB CYS 3 4.604 7.532 1.268
30 HB3 CYS 3 1HB CYS 3 4.274 6.250 2.432
31 H PHE 4 H PHE 4 6.040 4.741 3.018
32 HA PHE 4 HA PHE 4 8.609 4.334 1.707
33 HB2 PHE 4 2HB PHE 4 6.725 2.250 2.857
34 HB3 PHE 4 1HB PHE 4 8.360 1.989 2.276
35 HD1 PHE 4 1HD PHE 4 10.251 3.123 3.523
36 HD2 PHE 4 2HD PHE 4 6.320 2.737 5.087
37 HE1 PHE 4 1HE PHE 4 11.135 3.410 5.789
38 HE2 PHE 4 2HE PHE 4 7.199 3.027 7.366
39 HZ PHE 4 HZ PHE 4 9.612 3.360 7.720
40 H GLN 5 H GLN 5 7.872 5.030 -0.400
41 HA GLN 5 HA GLN 5 5.842 3.371 -1.674
42 HB2 GLN 5 2HB GLN 5 5.968 5.726 -2.293
43 HB3 GLN 5 1HB GLN 5 7.614 5.490 -2.863
44 HG2 GLN 5 2HG GLN 5 6.783 3.968 -4.596
45 HG3 GLN 5 1HG GLN 5 5.135 4.268 -4.058
46 HE21 GLN 5 1HE2 GLN 5 5.665 7.134 -3.550
47 HE22 GLN 5 2HE2 GLN 5 5.769 7.850 -5.100
48 H HIS 6 H HIS 6 9.336 3.762 -1.929
49 HA HIS 6 HA HIS 6 9.405 1.443 -3.761
50 HB2 HIS 6 2HB HIS 6 10.507 3.753 -4.311
51 HB3 HIS 6 1HB HIS 6 11.724 3.281 -3.137
52 HD1 HIS 6 1HD HIS 6 13.544 1.541 -3.973
53 HD2 HIS 6 2HD HIS 6 10.420 2.196 -6.634
54 HE1 HIS 6 1HE HIS 6 14.277 0.559 -6.144
55 H GLY 7 H GLY 7 9.079 1.620 -0.790
56 HA2 GLY 7 2HA GLY 7 9.741 0.138 0.905
57 HA3 GLY 7 1HA GLY 7 11.218 -0.202 -0.006
58 H LYS 8 H LYS 8 11.971 2.330 -0.561
59 HA LYS 8 HA LYS 8 13.090 3.269 1.914
60 HB2 LYS 8 2HB LYS 8 13.239 4.479 -0.858
61 HB3 LYS 8 1HB LYS 8 14.267 4.859 0.514
62 HG2 LYS 8 2HG LYS 8 15.248 2.629 0.420
63 HG3 LYS 8 1HG LYS 8 14.171 2.200 -0.907
64 HD2 LYS 8 2HD LYS 8 16.327 2.762 -1.828
65 HD3 LYS 8 1HD LYS 8 15.186 4.033 -2.255
66 HE2 LYS 8 2HE LYS 8 17.256 5.056 -1.596
67 HE3 LYS 8 1HE LYS 8 16.070 5.382 -0.341
68 HZ1 LYS 8 3HZ LYS 8 17.068 3.453 0.908
69 HZ2 LYS 8 1HZ LYS 8 18.144 4.742 0.662
70 HZ3 LYS 8 2HZ LYS 8 18.229 3.363 -0.289
71 H VAL 9 H VAL 9 12.714 5.369 2.700
72 HA VAL 9 HA VAL 9 10.054 6.366 2.516
73 HB VAL 9 HB VAL 9 12.516 7.753 3.628
74 HG11 VAL 9 1HG1 VAL 9 10.660 9.274 3.275
75 HG12 VAL 9 2HG1 VAL 9 10.930 9.020 4.999
76 HG13 VAL 9 3HG1 VAL 9 9.590 8.210 4.188
77 HG21 VAL 9 3HG2 VAL 9 12.164 5.566 4.666
78 HG22 VAL 9 1HG2 VAL 9 10.513 6.026 5.066
79 HG23 VAL 9 2HG2 VAL 9 11.871 6.881 5.805
80 H VAL 10 H VAL 10 9.348 7.382 0.739
81 HA VAL 10 HA VAL 10 11.229 9.108 -0.691
82 HB VAL 10 HB VAL 10 9.995 8.818 -2.715
83 HG11 VAL 10 1HG1 VAL 10 11.585 7.075 -2.332
84 HG12 VAL 10 2HG1 VAL 10 10.168 6.411 -3.155
85 HG13 VAL 10 3HG1 VAL 10 10.394 6.139 -1.428
86 HG21 VAL 10 3HG2 VAL 10 7.740 8.789 -1.775
87 HG22 VAL 10 1HG2 VAL 10 7.996 7.147 -1.194
88 HG23 VAL 10 2HG2 VAL 10 7.972 7.486 -2.932
89 H THR 11 H THR 11 10.422 11.106 -1.444
90 HA THR 11 HA THR 11 8.346 12.184 0.263
91 HB THR 11 HB THR 11 9.970 13.631 -1.851
92 HG1 THR 11 1HG THR 11 10.914 12.365 0.199
93 HG21 THR 11 3HG2 THR 11 8.008 14.820 -0.900
94 HG22 THR 11 1HG2 THR 11 9.529 15.582 -0.429
95 HG23 THR 11 2HG2 THR 11 8.661 14.565 0.717
96 H CYS 12 H CYS 12 6.335 12.090 -0.464
97 HA CYS 12 HA CYS 12 5.686 11.354 -3.121
98 HB2 CYS 12 2HB CYS 12 3.879 12.294 -0.891
99 HB3 CYS 12 1HB CYS 12 3.374 11.441 -2.345
100 H HIS 13 H HIS 13 4.272 12.589 -4.512
101 HA HIS 13 HA HIS 13 5.227 15.166 -5.067
102 HB2 HIS 13 2HB HIS 13 4.320 13.514 -6.729
103 HB3 HIS 13 1HB HIS 13 2.726 13.819 -6.072
104 HD1 HIS 13 1HD HIS 13 1.516 14.984 -7.912
105 HD2 HIS 13 2HD HIS 13 5.394 16.392 -7.434
106 HE1 HIS 13 1HE HIS 13 1.750 16.924 -9.499
107 H ARG 14 H ARG 14 3.946 17.075 -5.221
108 HA ARG 14 HA ARG 14 2.771 18.137 -2.922
109 HB2 ARG 14 2HB ARG 14 1.790 18.902 -5.616
110 HB3 ARG 14 1HB ARG 14 1.993 19.926 -4.218
111 HG2 ARG 14 2HG ARG 14 4.363 20.018 -4.550
112 HG3 ARG 14 1HG ARG 14 4.266 18.754 -5.791
113 HD2 ARG 14 2HD ARG 14 3.089 21.519 -5.957
114 HD3 ARG 14 1HD ARG 14 4.440 20.879 -6.902
115 HE ARG 14 HE ARG 14 1.882 19.465 -7.116
116 HH11 ARG 14 1HH1 ARG 14 4.106 21.707 -8.696
117 HH12 ARG 14 2HH1 ARG 14 3.346 21.538 -10.206
118 HH21 ARG 14 1HH2 ARG 14 0.886 19.247 -9.064
119 HH22 ARG 14 2HH2 ARG 14 1.449 20.082 -10.440
120 H ASP 15 H ASP 15 1.334 16.569 -5.710
121 HA ASP 15 HA ASP 15 -1.385 17.198 -4.986
122 HB2 ASP 15 2HB ASP 15 -0.215 15.569 -7.247
123 HB3 ASP 15 1HB ASP 15 -1.935 15.814 -7.025
124 H MET 16 H MET 16 0.754 14.904 -4.032
125 HA MET 16 HA MET 16 -1.253 12.854 -3.702
126 HB2 MET 16 2HB MET 16 1.748 12.831 -3.414
127 HB3 MET 16 1HB MET 16 0.758 11.556 -2.717
128 HG2 MET 16 2HG MET 16 1.642 10.939 -4.866
129 HG3 MET 16 1HG MET 16 -0.112 10.956 -4.816
130 HE1 MET 16 3HE MET 16 1.374 10.742 -7.463
131 HE2 MET 16 1HE MET 16 0.448 11.884 -8.462
132 HE3 MET 16 2HE MET 16 -0.369 10.873 -7.248
133 H LYS 17 H LYS 17 -2.510 13.264 -2.210
134 HA LYS 17 HA LYS 17 -1.781 14.691 0.199
135 HB2 LYS 17 2HB LYS 17 -4.378 13.587 -0.808
136 HB3 LYS 17 1HB LYS 17 -4.178 14.543 0.650
137 HG2 LYS 17 2HG LYS 17 -3.579 16.461 -0.576
138 HG3 LYS 17 1HG LYS 17 -3.394 15.533 -2.068
139 HD2 LYS 17 2HD LYS 17 -5.476 16.785 -2.061
140 HD3 LYS 17 1HD LYS 17 -5.758 15.043 -2.078
141 HE2 LYS 17 2HE LYS 17 -7.329 16.137 -0.569
142 HE3 LYS 17 1HE LYS 17 -6.232 15.111 0.341
143 HZ1 LYS 17 3HZ LYS 17 -6.612 17.289 1.370
144 HZ2 LYS 17 1HZ LYS 17 -5.927 18.048 0.031
145 HZ3 LYS 17 2HZ LYS 17 -4.994 17.044 1.017
146 H PHE 18 H PHE 18 -2.159 11.445 -0.864
147 HA PHE 18 HA PHE 18 -2.257 10.529 1.911
148 HB2 PHE 18 2HB PHE 18 -3.862 9.314 -0.347
149 HB3 PHE 18 1HB PHE 18 -3.865 8.822 1.340
150 HD1 PHE 18 2HD PHE 18 -4.984 10.264 3.042
151 HD2 PHE 18 1HD PHE 18 -5.158 11.136 -1.120
152 HE1 PHE 18 2HE PHE 18 -6.891 11.745 3.432
153 HE2 PHE 18 1HE PHE 18 -7.068 12.636 -0.730
154 HZ PHE 18 HZ PHE 18 -7.938 12.941 1.557
155 H CYS 19 H CYS 19 -1.307 8.522 2.190
156 HA CYS 19 HA CYS 19 0.212 7.422 -0.057
157 HB2 CYS 19 2HB CYS 19 0.656 7.172 2.937
158 HB3 CYS 19 1HB CYS 19 1.661 6.449 1.685
159 H TYR 20 H TYR 20 -0.034 5.156 -0.313
160 HA TYR 20 HA TYR 20 -2.217 4.075 1.287
161 HB2 TYR 20 2HB TYR 20 -3.138 2.907 -0.687
162 HB3 TYR 20 1HB TYR 20 -3.215 4.652 -0.834
163 HD1 TYR 20 1HD TYR 20 -1.723 5.808 -2.416
164 HD2 TYR 20 2HD TYR 20 -1.859 1.571 -2.223
165 HE1 TYR 20 1HE TYR 20 -0.657 5.677 -4.625
166 HE2 TYR 20 2HE TYR 20 -0.787 1.429 -4.417
167 HH TYR 20 HH TYR 20 -0.646 2.945 -6.449
168 H HIS 21 H HIS 21 -2.274 1.945 1.629
169 HA HIS 21 HA HIS 21 0.139 0.367 1.027
170 HB2 HIS 21 2HB HIS 21 -0.058 1.238 3.424
171 HB3 HIS 21 1HB HIS 21 -1.554 0.317 3.542
172 HD1 HIS 21 1HD HIS 21 -1.190 -1.869 4.711
173 HD2 HIS 21 2HD HIS 21 2.159 -0.616 2.595
174 HE1 HIS 21 1HE HIS 21 0.587 -3.584 5.148
175 H ASN 22 H ASN 22 -0.545 -1.141 -0.350
176 HA ASN 22 HA ASN 22 -3.363 -1.981 -0.234
177 HB2 ASN 22 2HB ASN 22 -2.335 -1.070 -2.338
178 HB3 ASN 22 1HB ASN 22 -1.354 -2.533 -2.401
179 HD21 ASN 22 1HD2 ASN 22 -4.392 -1.106 -2.941
180 HD22 ASN 22 2HD2 ASN 22 -5.171 -2.474 -3.644
181 H THR 23 H THR 23 -3.574 -3.665 1.052
182 HA THR 23 HA THR 23 -2.109 -6.064 0.464
183 HB THR 23 HB THR 23 -0.639 -4.847 2.130
184 HG1 THR 23 1HG THR 23 -0.091 -6.764 2.740
185 HG21 THR 23 3HG2 THR 23 -1.396 -4.776 4.487
186 HG22 THR 23 1HG2 THR 23 -2.985 -5.348 3.970
187 HG23 THR 23 2HG2 THR 23 -2.409 -3.771 3.441
188 H GLY 24 H GLY 24 -2.989 -7.879 1.654
189 HA2 GLY 24 2HA GLY 24 -4.948 -8.391 3.236
190 HA3 GLY 24 1HA GLY 24 -5.883 -7.554 1.988
191 H MET 25 H MET 25 -4.882 -8.216 -0.147
192 HA MET 25 HA MET 25 -5.533 -10.974 -0.536
193 HB2 MET 25 2HB MET 25 -4.958 -10.534 -2.949
194 HB3 MET 25 1HB MET 25 -6.177 -9.457 -2.288
195 HG2 MET 25 2HG MET 25 -4.453 -7.721 -2.012
196 HG3 MET 25 1HG MET 25 -3.269 -8.811 -2.726
197 HE1 MET 25 3HE MET 25 -6.605 -6.800 -3.340
198 HE2 MET 25 1HE MET 25 -7.061 -8.420 -3.864
199 HE3 MET 25 2HE MET 25 -6.914 -7.121 -5.044
200 HA PRO 26 HA PRO 26 -1.389 -12.301 0.195
201 HB2 PRO 26 2HB PRO 26 -1.760 -14.916 0.015
202 HB3 PRO 26 1HB PRO 26 -2.537 -13.999 1.311
203 HG2 PRO 26 2HG PRO 26 -3.679 -14.915 -1.293
204 HG3 PRO 26 1HG PRO 26 -4.394 -15.049 0.334
205 HD2 PRO 26 2HD PRO 26 -5.016 -13.058 -1.460
206 HD3 PRO 26 1HD PRO 26 -5.092 -12.866 0.316
207 H PHE 27 H PHE 27 0.312 -13.008 -0.926
208 HA PHE 27 HA PHE 27 -0.111 -13.769 -3.718
209 HB2 PHE 27 2HB PHE 27 1.917 -11.774 -2.704
210 HB3 PHE 27 1HB PHE 27 1.973 -12.482 -4.311
211 HD1 PHE 27 2HD PHE 27 0.282 -11.929 -5.959
212 HD2 PHE 27 1HD PHE 27 0.308 -10.088 -2.136
213 HE1 PHE 27 2HE PHE 27 -1.211 -10.170 -6.808
214 HE2 PHE 27 1HE PHE 27 -1.172 -8.317 -2.970
215 HZ PHE 27 HZ PHE 27 -1.941 -8.359 -5.319
216 H ARG 28 H ARG 28 1.069 -15.384 -4.462
217 HA ARG 28 HA ARG 28 2.951 -16.628 -2.586
218 HB2 ARG 28 2HB ARG 28 2.342 -18.786 -3.618
219 HB3 ARG 28 1HB ARG 28 0.955 -17.987 -2.905
220 HG2 ARG 28 2HG ARG 28 0.381 -17.163 -5.218
221 HG3 ARG 28 1HG ARG 28 1.638 -18.240 -5.821
222 HD2 ARG 28 2HD ARG 28 -0.783 -19.042 -4.220
223 HD3 ARG 28 1HD ARG 28 -0.559 -19.291 -5.948
224 HE ARG 28 HE ARG 28 1.575 -20.496 -4.709
225 HH11 ARG 28 1HH1 ARG 28 -1.945 -20.863 -4.709
226 HH12 ARG 28 2HH1 ARG 28 -1.911 -22.526 -4.333
227 HH21 ARG 28 1HH2 ARG 28 1.612 -22.813 -4.179
228 HH22 ARG 28 2HH2 ARG 28 0.139 -23.635 -4.011
229 H ASN 29 H ASN 29 4.948 -17.124 -3.251
230 HA ASN 29 HA ASN 29 6.888 -16.987 -4.376
231 HB2 ASN 29 2HB ASN 29 5.095 -17.662 -6.700
232 HB3 ASN 29 1HB ASN 29 6.813 -17.371 -6.940
233 HD21 ASN 29 1HD2 ASN 29 7.239 -19.427 -7.584
234 HD22 ASN 29 2HD2 ASN 29 7.196 -20.792 -6.529
235 H LEU 30 H LEU 30 5.164 -14.668 -4.022
236 HA LEU 30 HA LEU 30 6.817 -12.709 -5.220
237 HB2 LEU 30 2HB LEU 30 5.317 -13.247 -7.132
238 HB3 LEU 30 1HB LEU 30 3.930 -12.920 -6.119
239 HG LEU 30 HG LEU 30 4.745 -10.555 -5.901
240 HD11 LEU 30 1HD1 LEU 30 6.633 -11.378 -8.090
241 HD12 LEU 30 2HD1 LEU 30 7.070 -10.883 -6.455
242 HD13 LEU 30 3HD1 LEU 30 6.330 -9.724 -7.558
243 HD21 LEU 30 3HD2 LEU 30 2.944 -11.130 -7.414
244 HD22 LEU 30 1HD2 LEU 30 4.108 -11.546 -8.674
245 HD23 LEU 30 2HD2 LEU 30 3.964 -9.879 -8.120
246 H LYS 31 H LYS 31 6.451 -10.764 -4.073
247 HA LYS 31 HA LYS 31 4.147 -10.785 -2.296
248 HB2 LYS 31 2HB LYS 31 6.222 -11.239 -0.984
249 HB3 LYS 31 1HB LYS 31 6.910 -9.745 -1.594
250 HG2 LYS 31 2HG LYS 31 6.105 -9.421 0.666
251 HG3 LYS 31 1HG LYS 31 5.130 -8.477 -0.458
252 HD2 LYS 31 2HD LYS 31 3.381 -10.195 -0.393
253 HD3 LYS 31 1HD LYS 31 4.366 -11.161 0.706
254 HE2 LYS 31 2HE LYS 31 4.275 -9.336 2.356
255 HE3 LYS 31 1HE LYS 31 3.273 -8.401 1.250
256 HZ1 LYS 31 3HZ LYS 31 2.548 -11.006 2.483
257 HZ2 LYS 31 1HZ LYS 31 1.589 -10.164 1.392
258 HZ3 LYS 31 2HZ LYS 31 1.908 -9.496 2.889
259 H LEU 32 H LEU 32 3.023 -9.560 -3.737
260 HA LEU 32 HA LEU 32 4.197 -7.104 -4.691
261 HB2 LEU 32 2HB LEU 32 2.827 -8.477 -6.205
262 HB3 LEU 32 1HB LEU 32 1.457 -8.300 -5.129
263 HG LEU 32 HG LEU 32 1.451 -5.863 -5.584
264 HD11 LEU 32 1HD1 LEU 32 3.581 -6.545 -7.598
265 HD12 LEU 32 2HD1 LEU 32 3.780 -5.542 -6.159
266 HD13 LEU 32 3HD1 LEU 32 2.742 -5.001 -7.475
267 HD21 LEU 32 3HD2 LEU 32 0.549 -6.024 -7.842
268 HD22 LEU 32 1HD2 LEU 32 0.004 -7.371 -6.844
269 HD23 LEU 32 2HD2 LEU 32 1.285 -7.616 -8.033
270 H ILE 33 H ILE 33 4.213 -5.476 -3.327
271 HA ILE 33 HA ILE 33 1.814 -5.031 -1.755
272 HB ILE 33 HB ILE 33 3.484 -5.765 -0.211
273 HG12 ILE 33 2HG1 ILE 33 3.837 -3.774 1.263
274 HG13 ILE 33 1HG1 ILE 33 3.257 -2.766 -0.056
275 HG21 ILE 33 1HG2 ILE 33 5.491 -5.516 -1.466
276 HG22 ILE 33 2HG2 ILE 33 5.677 -4.731 0.102
277 HG23 ILE 33 3HG2 ILE 33 5.398 -3.759 -1.342
278 HD11 ILE 33 3HD1 ILE 33 1.682 -4.910 1.325
279 HD12 ILE 33 1HD1 ILE 33 1.103 -3.856 0.033
280 HD13 ILE 33 2HD1 ILE 33 1.549 -3.171 1.597
281 H LEU 34 H LEU 34 0.809 -3.507 -2.884
282 HA LEU 34 HA LEU 34 2.367 -1.434 -4.140
283 HB2 LEU 34 2HB LEU 34 -0.618 -1.927 -4.192
284 HB3 LEU 34 1HB LEU 34 0.194 -0.642 -5.052
285 HG LEU 34 HG LEU 34 0.625 -3.592 -5.549
286 HD11 LEU 34 1HD1 LEU 34 -0.917 -1.543 -7.132
287 HD12 LEU 34 2HD1 LEU 34 -1.605 -2.883 -6.216
288 HD13 LEU 34 3HD1 LEU 34 -0.599 -3.205 -7.626
289 HD21 LEU 34 3HD2 LEU 34 2.606 -2.274 -6.089
290 HD22 LEU 34 1HD2 LEU 34 1.619 -1.152 -7.030
291 HD23 LEU 34 2HD2 LEU 34 1.809 -2.821 -7.562
292 H GLN 35 H GLN 35 3.161 -0.460 -2.418
293 HA GLN 35 HA GLN 35 1.242 1.191 -0.990
294 HB2 GLN 35 2HB GLN 35 3.045 1.352 0.818
295 HB3 GLN 35 1HB GLN 35 2.233 -0.202 0.640
296 HG2 GLN 35 2HG GLN 35 4.061 -1.043 -0.590
297 HG3 GLN 35 1HG GLN 35 4.844 0.541 -0.520
298 HE21 GLN 35 1HE2 GLN 35 6.621 -0.309 0.493
299 HE22 GLN 35 2HE2 GLN 35 6.596 -0.723 2.190
300 H GLY 36 H GLY 36 1.212 3.115 -1.834
301 HA2 GLY 36 2HA GLY 36 3.756 4.396 -2.439
302 HA3 GLY 36 1HA GLY 36 2.603 4.219 -3.756
303 H CYS 37 H CYS 37 2.338 6.400 -4.026
304 HA CYS 37 HA CYS 37 1.080 7.853 -1.799
305 HB2 CYS 37 2HB CYS 37 2.738 9.044 -4.027
306 HB3 CYS 37 1HB CYS 37 2.166 9.841 -2.564
307 H SER 38 H SER 38 -0.870 8.899 -2.368
308 HA SER 38 HA SER 38 -1.592 8.822 -5.188
309 HB2 SER 38 2HB SER 38 -2.596 6.825 -4.192
310 HB3 SER 38 1HB SER 38 -3.347 7.807 -2.935
311 HG SER 38 HG SER 38 -4.281 7.234 -5.374
312 H SER 39 H SER 39 -3.211 10.262 -5.777
313 HA SER 39 HA SER 39 -3.228 12.728 -4.322
314 HB2 SER 39 2HB SER 39 -3.029 12.543 -6.826
315 HB3 SER 39 1HB SER 39 -4.685 11.947 -6.865
316 HG SER 39 HG SER 39 -3.921 14.404 -5.720
317 H SER 40 H SER 40 -5.213 9.900 -4.536
318 HA SER 40 HA SER 40 -7.308 11.300 -3.100
319 HB2 SER 40 2HB SER 40 -8.848 9.599 -4.350
320 HB3 SER 40 1HB SER 40 -8.327 11.078 -5.163
321 HG SER 40 HG SER 40 -7.464 8.427 -5.521
322 H CYS 41 H CYS 41 -8.845 9.586 -2.034
323 HA CYS 41 HA CYS 41 -7.140 7.527 -0.853
324 HB2 CYS 41 2HB CYS 41 -7.296 9.511 0.586
325 HB3 CYS 41 1HB CYS 41 -9.042 9.401 0.568
326 H SER 42 H SER 42 -8.012 5.782 -1.714
327 HA SER 42 HA SER 42 -10.902 5.434 -1.707
328 HB2 SER 42 2HB SER 42 -8.715 3.676 -2.839
329 HB3 SER 42 1HB SER 42 -10.453 3.491 -3.107
330 HG SER 42 HG SER 42 -10.153 5.853 -3.794
331 H GLU 43 H GLU 43 -11.421 5.006 0.340
332 HA GLU 43 HA GLU 43 -9.723 3.503 2.060
333 HB2 GLU 43 2HB GLU 43 -12.441 4.720 2.484
334 HB3 GLU 43 1HB GLU 43 -11.479 3.954 3.741
335 HG2 GLU 43 2HG GLU 43 -9.722 5.584 3.428
336 HG3 GLU 43 1HG GLU 43 -10.635 6.336 2.125
337 H THR 44 H THR 44 -9.599 1.436 1.727
338 HA THR 44 HA THR 44 -12.040 -0.137 1.901
339 HB THR 44 HB THR 44 -10.984 -1.784 0.300
340 HG1 THR 44 1HG THR 44 -9.165 0.340 0.061
341 HG21 THR 44 3HG2 THR 44 -11.504 -0.573 -1.782
342 HG22 THR 44 1HG2 THR 44 -11.523 0.945 -0.885
343 HG23 THR 44 2HG2 THR 44 -12.731 -0.297 -0.548
344 H GLU 45 H GLU 45 -11.167 -2.546 2.398
345 HA GLU 45 HA GLU 45 -9.383 -2.176 4.621
346 HB2 GLU 45 2HB GLU 45 -11.365 -3.721 4.741
347 HB3 GLU 45 1HB GLU 45 -10.553 -4.778 3.593
348 HG2 GLU 45 2HG GLU 45 -8.704 -5.070 5.178
349 HG3 GLU 45 1HG GLU 45 -9.537 -4.034 6.330
350 H ASN 46 H ASN 46 -9.258 -3.354 1.375
351 HA ASN 46 HA ASN 46 -6.674 -4.572 1.723
352 HB2 ASN 46 2HB ASN 46 -8.291 -5.485 0.096
353 HB3 ASN 46 1HB ASN 46 -8.184 -3.993 -0.837
354 HD21 ASN 46 1HD2 ASN 46 -6.409 -3.672 -2.132
355 HD22 ASN 46 2HD2 ASN 46 -5.206 -4.863 -2.427
356 H ASN 47 H ASN 47 -7.890 -1.573 0.126
357 HA ASN 47 HA ASN 47 -5.119 -0.714 -0.039
358 HB2 ASN 47 2HB ASN 47 -6.328 -0.629 -2.125
359 HB3 ASN 47 1HB ASN 47 -7.628 0.316 -1.396
360 HD21 ASN 47 1HD2 ASN 47 -7.224 2.507 -0.906
361 HD22 ASN 47 2HD2 ASN 47 -5.897 3.343 -1.608
362 H LYS 48 H LYS 48 -4.588 0.231 1.710
363 HA LYS 48 HA LYS 48 -6.534 1.802 3.253
364 HB2 LYS 48 2HB LYS 48 -3.794 0.784 4.015
365 HB3 LYS 48 1HB LYS 48 -4.938 1.574 5.093
366 HG2 LYS 48 2HG LYS 48 -6.495 -0.256 4.819
367 HG3 LYS 48 1HG LYS 48 -5.400 -1.047 3.688
368 HD2 LYS 48 2HD LYS 48 -3.727 -1.240 5.467
369 HD3 LYS 48 1HD LYS 48 -4.845 -0.457 6.590
370 HE2 LYS 48 2HE LYS 48 -6.444 -2.281 6.284
371 HE3 LYS 48 1HE LYS 48 -5.360 -3.046 5.132
372 HZ1 LYS 48 3HZ LYS 48 -3.772 -3.394 6.854
373 HZ2 LYS 48 1HZ LYS 48 -5.236 -4.039 7.333
374 HZ3 LYS 48 2HZ LYS 48 -4.693 -2.575 7.991
375 H CYS 49 H CYS 49 -6.450 3.964 3.023
376 HA CYS 49 HA CYS 49 -3.908 5.121 2.179
377 HB2 CYS 49 2HB CYS 49 -5.389 7.059 1.355
378 HB3 CYS 49 1HB CYS 49 -5.392 5.562 0.430
379 H CYS 50 H CYS 50 -2.945 6.605 3.317
380 HA CYS 50 HA CYS 50 -4.238 7.747 5.676
381 HB2 CYS 50 2HB CYS 50 -2.120 7.083 6.918
382 HB3 CYS 50 1HB CYS 50 -3.221 5.767 6.506
383 H SER 51 H SER 51 -3.023 9.663 6.511
384 HA SER 51 HA SER 51 -1.281 10.842 4.453
385 HB2 SER 51 2HB SER 51 -3.259 12.214 6.281
386 HB3 SER 51 1HB SER 51 -2.188 13.032 5.139
387 HG SER 51 HG SER 51 -3.222 11.966 3.492
388 H THR 52 H THR 52 -0.374 9.290 6.873
389 HA THR 52 HA THR 52 1.039 11.474 8.204
390 HB THR 52 HB THR 52 1.501 9.550 9.939
391 HG1 THR 52 1HG THR 52 -1.080 8.760 9.175
392 HG21 THR 52 3HG2 THR 52 0.348 11.590 10.526
393 HG22 THR 52 1HG2 THR 52 -0.519 10.219 11.204
394 HG23 THR 52 2HG2 THR 52 -1.132 11.020 9.754
395 H ASP 53 H ASP 53 3.234 11.230 8.693
396 HA ASP 53 HA ASP 53 4.952 10.308 6.781
397 HB2 ASP 53 2HB ASP 53 6.072 11.698 8.137
398 HB3 ASP 53 1HB ASP 53 5.226 11.177 9.599
399 H ARG 54 H ARG 54 5.318 8.433 6.004
400 HA ARG 54 HA ARG 54 5.706 6.198 5.718
401 HB2 ARG 54 2HB ARG 54 6.796 6.619 8.481
402 HB3 ARG 54 1HB ARG 54 7.031 5.146 7.546
403 HG2 ARG 54 2HG ARG 54 8.251 6.320 5.865
404 HG3 ARG 54 1HG ARG 54 7.838 7.875 6.583
405 HD2 ARG 54 2HD ARG 54 9.464 5.743 7.943
406 HD3 ARG 54 1HD ARG 54 10.133 7.166 7.133
407 HE ARG 54 HE ARG 54 8.509 8.363 8.733
408 HH11 ARG 54 1HH1 ARG 54 10.704 5.688 9.486
409 HH12 ARG 54 2HH1 ARG 54 10.732 6.008 11.152
410 HH21 ARG 54 1HH2 ARG 54 8.518 8.777 10.947
411 HH22 ARG 54 2HH2 ARG 54 9.449 7.821 12.043
412 H CYS 55 H CYS 55 3.080 6.921 6.637
413 HA CYS 55 HA CYS 55 2.194 5.079 8.592
414 HB2 CYS 55 2HB CYS 55 -0.053 5.645 7.800
415 HB3 CYS 55 1HB CYS 55 0.934 7.082 8.043
416 H ASN 56 H ASN 56 2.888 4.755 5.232
417 HA ASN 56 HA ASN 56 1.322 2.362 5.006
418 HB2 ASN 56 2HB ASN 56 1.996 2.270 2.648
419 HB3 ASN 56 1HB ASN 56 1.395 3.865 3.049
420 HD21 ASN 56 1HD2 ASN 56 2.908 3.209 0.839
421 HD22 ASN 56 2HD2 ASN 56 4.441 3.994 0.900
422 H LYS 57 H LYS 57 2.349 1.460 6.714
423 HA LYS 57 HA LYS 57 4.757 0.004 6.024
424 HB2 LYS 57 2HB LYS 57 5.595 0.314 8.350
425 HB3 LYS 57 1HB LYS 57 5.446 1.833 7.474
426 HG2 LYS 57 2HG LYS 57 3.365 2.319 8.625
427 HG3 LYS 57 1HG LYS 57 3.478 0.804 9.509
428 HD2 LYS 57 2HD LYS 57 5.582 1.596 10.527
429 HD3 LYS 57 1HD LYS 57 5.400 3.125 9.659
430 HE2 LYS 57 2HE LYS 57 3.184 3.405 10.773
431 HE3 LYS 57 1HE LYS 57 3.541 1.975 11.728
432 HZ1 LYS 57 3HZ LYS 57 4.078 3.998 12.933
433 HZ2 LYS 57 1HZ LYS 57 5.098 4.489 11.700
434 HZ3 LYS 57 2HZ LYS 57 5.496 3.137 12.629
Start of MODEL 13
1 H1 LEU 1 1HT LEU 1 3.521 15.206 2.392
2 H2 LEU 1 2HT LEU 1 4.155 14.533 0.964
3 H3 LEU 1 3HT LEU 1 5.189 15.130 2.135
4 HA LEU 1 HA LEU 1 4.625 13.446 3.633
5 HB2 LEU 1 2HB LEU 1 2.705 12.627 1.485
6 HB3 LEU 1 1HB LEU 1 3.274 11.515 2.707
7 HG LEU 1 HG LEU 1 1.680 14.024 3.200
8 HD11 LEU 1 2HD1 LEU 1 -0.032 12.417 3.917
9 HD12 LEU 1 3HD1 LEU 1 1.049 11.097 3.449
10 HD13 LEU 1 1HD1 LEU 1 0.411 12.184 2.218
11 HD21 LEU 1 1HD2 LEU 1 2.825 11.949 5.043
12 HD22 LEU 1 2HD2 LEU 1 1.625 13.147 5.531
13 HD23 LEU 1 3HD2 LEU 1 3.233 13.661 5.010
14 H LYS 2 H LYS 2 6.301 12.263 3.743
15 HA LYS 2 HA LYS 2 7.155 11.056 1.281
16 HB2 LYS 2 2HB LYS 2 9.406 10.787 2.441
17 HB3 LYS 2 1HB LYS 2 8.932 12.439 2.066
18 HG2 LYS 2 2HG LYS 2 8.099 12.620 4.404
19 HG3 LYS 2 1HG LYS 2 8.839 11.053 4.719
20 HD2 LYS 2 2HD LYS 2 11.006 11.905 4.280
21 HD3 LYS 2 1HD LYS 2 10.350 13.420 3.649
22 HE2 LYS 2 2HE LYS 2 10.090 12.417 6.476
23 HE3 LYS 2 1HE LYS 2 11.172 13.700 5.931
24 HZ1 LYS 2 3HZ LYS 2 9.259 15.025 5.320
25 HZ2 LYS 2 1HZ LYS 2 9.127 14.574 6.931
26 HZ3 LYS 2 2HZ LYS 2 8.187 13.808 5.760
27 H CYS 3 H CYS 3 6.875 8.974 1.083
28 HA CYS 3 HA CYS 3 6.429 7.409 3.487
29 HB2 CYS 3 2HB CYS 3 4.488 7.736 1.208
30 HB3 CYS 3 1HB CYS 3 4.403 6.379 2.329
31 H PHE 4 H PHE 4 6.166 4.980 2.957
32 HA PHE 4 HA PHE 4 8.625 4.340 1.553
33 HB2 PHE 4 2HB PHE 4 6.756 2.516 3.074
34 HB3 PHE 4 1HB PHE 4 8.347 2.098 2.469
35 HD1 PHE 4 2HD PHE 4 10.334 3.396 3.436
36 HD2 PHE 4 1HD PHE 4 6.470 3.338 5.190
37 HE1 PHE 4 2HE PHE 4 11.303 4.073 5.584
38 HE2 PHE 4 1HE PHE 4 7.433 4.013 7.346
39 HZ PHE 4 HZ PHE 4 9.856 4.376 7.549
40 H GLN 5 H GLN 5 7.919 4.714 -0.544
41 HA GLN 5 HA GLN 5 5.775 3.065 -1.606
42 HB2 GLN 5 2HB GLN 5 6.203 5.323 -2.494
43 HB3 GLN 5 1HB GLN 5 7.756 4.768 -3.098
44 HG2 GLN 5 2HG GLN 5 6.634 3.207 -4.590
45 HG3 GLN 5 1HG GLN 5 5.070 3.723 -3.966
46 HE21 GLN 5 1HE2 GLN 5 7.773 5.864 -4.589
47 HE22 GLN 5 2HE2 GLN 5 6.999 6.723 -5.871
48 H HIS 6 H HIS 6 9.268 3.125 -1.803
49 HA HIS 6 HA HIS 6 9.251 0.567 -3.278
50 HB2 HIS 6 2HB HIS 6 11.481 2.580 -2.898
51 HB3 HIS 6 1HB HIS 6 11.622 1.085 -3.805
52 HD1 HIS 6 1HD HIS 6 11.843 4.216 -4.794
53 HD2 HIS 6 2HD HIS 6 8.863 1.431 -5.576
54 HE1 HIS 6 1HE HIS 6 10.751 4.945 -6.958
55 H GLY 7 H GLY 7 8.840 1.071 -0.378
56 HA2 GLY 7 2HA GLY 7 9.450 -0.114 1.558
57 HA3 GLY 7 1HA GLY 7 10.887 -0.694 0.713
58 H LYS 8 H LYS 8 11.324 1.983 -0.217
59 HA LYS 8 HA LYS 8 12.725 3.081 2.087
60 HB2 LYS 8 2HB LYS 8 13.176 3.363 -0.887
61 HB3 LYS 8 1HB LYS 8 14.151 4.157 0.347
62 HG2 LYS 8 2HG LYS 8 14.886 1.995 1.196
63 HG3 LYS 8 1HG LYS 8 13.835 1.177 0.050
64 HD2 LYS 8 2HD LYS 8 16.060 3.020 -0.792
65 HD3 LYS 8 1HD LYS 8 16.290 1.291 -0.561
66 HE2 LYS 8 2HE LYS 8 14.297 2.517 -2.483
67 HE3 LYS 8 1HE LYS 8 15.896 1.936 -2.933
68 HZ1 LYS 8 3HZ LYS 8 15.227 -0.274 -2.146
69 HZ2 LYS 8 1HZ LYS 8 14.281 0.254 -3.415
70 HZ3 LYS 8 2HZ LYS 8 13.678 0.245 -1.840
71 H VAL 9 H VAL 9 12.739 5.399 2.224
72 HA VAL 9 HA VAL 9 10.115 6.490 2.010
73 HB VAL 9 HB VAL 9 12.686 7.869 2.796
74 HG11 VAL 9 1HG1 VAL 9 9.824 8.573 3.379
75 HG12 VAL 9 2HG1 VAL 9 10.935 9.426 2.304
76 HG13 VAL 9 3HG1 VAL 9 11.236 9.398 4.042
77 HG21 VAL 9 3HG2 VAL 9 12.346 5.919 4.199
78 HG22 VAL 9 1HG2 VAL 9 10.696 6.433 4.542
79 HG23 VAL 9 2HG2 VAL 9 12.054 7.394 5.121
80 H VAL 10 H VAL 10 9.320 7.430 0.215
81 HA VAL 10 HA VAL 10 11.188 8.911 -1.499
82 HB VAL 10 HB VAL 10 9.676 8.587 -3.379
83 HG11 VAL 10 1HG1 VAL 10 10.245 5.968 -2.017
84 HG12 VAL 10 2HG1 VAL 10 11.333 6.870 -3.073
85 HG13 VAL 10 3HG1 VAL 10 9.850 6.168 -3.725
86 HG21 VAL 10 3HG2 VAL 10 7.674 7.171 -3.241
87 HG22 VAL 10 1HG2 VAL 10 7.546 8.580 -2.191
88 HG23 VAL 10 2HG2 VAL 10 7.919 7.001 -1.503
89 H THR 11 H THR 11 10.435 10.956 -2.283
90 HA THR 11 HA THR 11 8.591 12.171 -0.420
91 HB THR 11 HB THR 11 10.249 13.482 -2.595
92 HG1 THR 11 1HG THR 11 11.747 12.740 -1.249
93 HG21 THR 11 3HG2 THR 11 9.909 15.518 -1.247
94 HG22 THR 11 1HG2 THR 11 8.918 14.601 -0.115
95 HG23 THR 11 2HG2 THR 11 8.366 14.843 -1.771
96 H CYS 12 H CYS 12 6.568 11.785 -0.986
97 HA CYS 12 HA CYS 12 5.653 11.552 -3.683
98 HB2 CYS 12 2HB CYS 12 4.121 11.799 -1.086
99 HB3 CYS 12 1HB CYS 12 3.529 11.124 -2.609
100 H HIS 13 H HIS 13 4.442 13.050 -4.830
101 HA HIS 13 HA HIS 13 5.263 15.727 -4.405
102 HB2 HIS 13 2HB HIS 13 4.701 14.533 -6.632
103 HB3 HIS 13 1HB HIS 13 3.028 14.914 -6.258
104 HD1 HIS 13 1HD HIS 13 2.224 17.224 -7.123
105 HD2 HIS 13 2HD HIS 13 6.372 16.886 -6.873
106 HE1 HIS 13 1HE HIS 13 3.147 19.349 -8.009
107 H ARG 14 H ARG 14 3.728 17.567 -4.338
108 HA ARG 14 HA ARG 14 2.239 17.602 -1.989
109 HB2 ARG 14 2HB ARG 14 2.131 19.463 -4.333
110 HB3 ARG 14 1HB ARG 14 1.231 19.745 -2.854
111 HG2 ARG 14 2HG ARG 14 3.370 19.774 -1.619
112 HG3 ARG 14 1HG ARG 14 4.219 19.594 -3.155
113 HD2 ARG 14 2HD ARG 14 3.209 21.669 -3.960
114 HD3 ARG 14 1HD ARG 14 2.348 21.845 -2.437
115 HE ARG 14 HE ARG 14 5.077 21.591 -1.932
116 HH11 ARG 14 1HH1 ARG 14 2.774 23.953 -3.212
117 HH12 ARG 14 2HH1 ARG 14 3.719 25.305 -2.825
118 HH21 ARG 14 1HH2 ARG 14 6.358 23.433 -1.374
119 HH22 ARG 14 2HH2 ARG 14 5.821 25.000 -1.767
120 H ASP 15 H ASP 15 1.179 16.506 -5.070
121 HA ASP 15 HA ASP 15 -1.624 17.000 -4.708
122 HB2 ASP 15 2HB ASP 15 -0.262 14.924 -6.442
123 HB3 ASP 15 1HB ASP 15 -1.948 15.395 -6.546
124 H MET 16 H MET 16 0.619 14.700 -3.643
125 HA MET 16 HA MET 16 -1.339 12.661 -3.116
126 HB2 MET 16 2HB MET 16 1.653 12.769 -3.034
127 HB3 MET 16 1HB MET 16 0.832 11.440 -2.266
128 HG2 MET 16 2HG MET 16 1.487 10.803 -4.435
129 HG3 MET 16 1HG MET 16 -0.265 10.908 -4.355
130 HE1 MET 16 3HE MET 16 -0.712 10.956 -6.753
131 HE2 MET 16 1HE MET 16 0.996 10.616 -7.007
132 HE3 MET 16 2HE MET 16 0.192 11.866 -7.986
133 H LYS 17 H LYS 17 -2.581 13.134 -1.513
134 HA LYS 17 HA LYS 17 -1.465 14.207 0.963
135 HB2 LYS 17 2HB LYS 17 -4.267 13.890 -0.044
136 HB3 LYS 17 1HB LYS 17 -3.911 14.352 1.611
137 HG2 LYS 17 2HG LYS 17 -2.717 16.344 0.715
138 HG3 LYS 17 1HG LYS 17 -3.252 15.872 -0.899
139 HD2 LYS 17 2HD LYS 17 -5.547 16.090 -0.299
140 HD3 LYS 17 1HD LYS 17 -5.146 16.300 1.402
141 HE2 LYS 17 2HE LYS 17 -4.441 18.203 -0.831
142 HE3 LYS 17 1HE LYS 17 -5.753 18.410 0.325
143 HZ1 LYS 17 3HZ LYS 17 -4.096 18.510 2.117
144 HZ2 LYS 17 1HZ LYS 17 -3.822 19.698 0.957
145 HZ3 LYS 17 2HZ LYS 17 -2.852 18.335 0.992
146 H PHE 18 H PHE 18 -2.302 11.235 -0.379
147 HA PHE 18 HA PHE 18 -2.659 10.091 2.304
148 HB2 PHE 18 2HB PHE 18 -4.145 9.246 -0.190
149 HB3 PHE 18 1HB PHE 18 -4.276 8.501 1.394
150 HD1 PHE 18 2HD PHE 18 -5.501 9.609 3.184
151 HD2 PHE 18 1HD PHE 18 -5.200 11.344 -0.689
152 HE1 PHE 18 2HE PHE 18 -7.328 11.149 3.731
153 HE2 PHE 18 1HE PHE 18 -7.014 12.880 -0.160
154 HZ PHE 18 HZ PHE 18 -8.096 12.792 2.064
155 H CYS 19 H CYS 19 -1.089 8.699 2.674
156 HA CYS 19 HA CYS 19 0.223 7.418 0.444
157 HB2 CYS 19 2HB CYS 19 0.725 7.124 3.433
158 HB3 CYS 19 1HB CYS 19 1.739 6.504 2.126
159 H TYR 20 H TYR 20 -0.230 5.349 -0.131
160 HA TYR 20 HA TYR 20 -2.480 4.205 1.349
161 HB2 TYR 20 2HB TYR 20 -3.349 3.271 -0.706
162 HB3 TYR 20 1HB TYR 20 -3.130 5.001 -0.891
163 HD1 TYR 20 1HD TYR 20 -1.852 1.671 -1.897
164 HD2 TYR 20 2HD TYR 20 -1.611 5.858 -2.537
165 HE1 TYR 20 1HE TYR 20 -0.598 1.264 -3.953
166 HE2 TYR 20 2HE TYR 20 -0.356 5.473 -4.607
167 HH TYR 20 HH TYR 20 1.101 3.692 -5.554
168 H HIS 21 H HIS 21 -2.714 1.996 1.364
169 HA HIS 21 HA HIS 21 -0.372 0.415 0.692
170 HB2 HIS 21 2HB HIS 21 -0.215 0.769 3.120
171 HB3 HIS 21 1HB HIS 21 -1.891 0.291 3.321
172 HD1 HIS 21 1HD HIS 21 -0.962 -1.554 5.041
173 HD2 HIS 21 2HD HIS 21 0.221 -2.072 1.093
174 HE1 HIS 21 1HE HIS 21 -0.073 -3.895 4.878
175 H ASN 22 H ASN 22 -1.212 -0.542 -0.951
176 HA ASN 22 HA ASN 22 -3.826 -1.793 -0.762
177 HB2 ASN 22 2HB ASN 22 -3.377 -0.535 -2.786
178 HB3 ASN 22 1HB ASN 22 -1.862 -1.347 -3.058
179 HD21 ASN 22 1HD2 ASN 22 -2.842 -4.074 -2.776
180 HD22 ASN 22 2HD2 ASN 22 -3.956 -4.354 -4.063
181 H THR 23 H THR 23 -3.580 -3.450 0.518
182 HA THR 23 HA THR 23 -1.115 -4.949 0.506
183 HB THR 23 HB THR 23 -2.028 -4.370 2.668
184 HG1 THR 23 1HG THR 23 -1.768 -6.999 1.902
185 HG21 THR 23 3HG2 THR 23 -4.397 -4.243 2.110
186 HG22 THR 23 1HG2 THR 23 -4.145 -5.312 3.488
187 HG23 THR 23 2HG2 THR 23 -4.456 -5.990 1.886
188 H GLY 24 H GLY 24 -4.175 -5.191 -0.949
189 HA2 GLY 24 2HA GLY 24 -4.975 -6.698 -2.418
190 HA3 GLY 24 1HA GLY 24 -3.413 -7.511 -2.366
191 H MET 25 H MET 25 -4.271 -9.507 -2.314
192 HA MET 25 HA MET 25 -6.032 -10.265 -0.154
193 HB2 MET 25 2HB MET 25 -4.627 -11.897 -2.289
194 HB3 MET 25 1HB MET 25 -5.674 -12.595 -1.064
195 HG2 MET 25 2HG MET 25 -7.551 -11.293 -1.920
196 HG3 MET 25 1HG MET 25 -6.499 -10.576 -3.137
197 HE1 MET 25 3HE MET 25 -8.277 -11.300 -4.984
198 HE2 MET 25 1HE MET 25 -9.281 -12.054 -3.745
199 HE3 MET 25 2HE MET 25 -8.846 -12.956 -5.198
200 HA PRO 26 HA PRO 26 -2.745 -11.139 2.668
201 HB2 PRO 26 2HB PRO 26 -3.857 -13.135 4.141
202 HB3 PRO 26 1HB PRO 26 -4.348 -11.444 4.297
203 HG2 PRO 26 2HG PRO 26 -5.620 -13.639 2.711
204 HG3 PRO 26 1HG PRO 26 -6.400 -12.461 3.789
205 HD2 PRO 26 2HD PRO 26 -6.399 -12.145 1.126
206 HD3 PRO 26 1HD PRO 26 -6.233 -10.754 2.217
207 H PHE 27 H PHE 27 -1.023 -12.070 1.788
208 HA PHE 27 HA PHE 27 -1.186 -14.878 1.032
209 HB2 PHE 27 2HB PHE 27 0.813 -12.746 0.280
210 HB3 PHE 27 1HB PHE 27 1.097 -14.465 0.032
211 HD1 PHE 27 1HD PHE 27 -1.238 -11.714 -0.868
212 HD2 PHE 27 2HD PHE 27 0.343 -15.529 -1.869
213 HE1 PHE 27 1HE PHE 27 -2.354 -11.599 -3.048
214 HE2 PHE 27 2HE PHE 27 -0.782 -15.424 -4.051
215 HZ PHE 27 HZ PHE 27 -2.135 -13.457 -4.644
216 H ARG 28 H ARG 28 0.172 -16.355 1.899
217 HA ARG 28 HA ARG 28 1.324 -15.646 4.466
218 HB2 ARG 28 2HB ARG 28 1.716 -18.087 4.710
219 HB3 ARG 28 1HB ARG 28 0.036 -17.702 4.390
220 HG2 ARG 28 2HG ARG 28 0.360 -18.340 2.033
221 HG3 ARG 28 1HG ARG 28 2.031 -18.762 2.398
222 HD2 ARG 28 2HD ARG 28 0.560 -20.719 2.366
223 HD3 ARG 28 1HD ARG 28 1.285 -20.462 3.954
224 HE ARG 28 HE ARG 28 -1.322 -19.296 3.577
225 HH11 ARG 28 1HH1 ARG 28 0.425 -22.207 4.560
226 HH12 ARG 28 2HH1 ARG 28 -0.747 -22.722 5.669
227 HH21 ARG 28 1HH2 ARG 28 -2.970 -20.023 5.048
228 HH22 ARG 28 2HH2 ARG 28 -2.740 -21.460 5.920
229 H ASN 29 H ASN 29 3.418 -15.300 4.797
230 HA ASN 29 HA ASN 29 5.666 -15.142 4.564
231 HB2 ASN 29 2HB ASN 29 5.653 -17.592 4.232
232 HB3 ASN 29 1HB ASN 29 5.340 -17.368 2.521
233 HD21 ASN 29 1HD2 ASN 29 7.708 -17.156 5.057
234 HD22 ASN 29 2HD2 ASN 29 9.091 -17.084 4.037
235 H LEU 30 H LEU 30 3.580 -14.248 2.247
236 HA LEU 30 HA LEU 30 5.648 -12.885 0.677
237 HB2 LEU 30 2HB LEU 30 4.507 -14.628 -0.647
238 HB3 LEU 30 1HB LEU 30 2.961 -13.951 -0.230
239 HG LEU 30 HG LEU 30 4.951 -12.381 -1.897
240 HD11 LEU 30 1HD1 LEU 30 4.575 -14.554 -2.977
241 HD12 LEU 30 2HD1 LEU 30 3.805 -13.244 -3.873
242 HD13 LEU 30 3HD1 LEU 30 2.833 -14.307 -2.854
243 HD21 LEU 30 3HD2 LEU 30 3.019 -11.152 -0.983
244 HD22 LEU 30 1HD2 LEU 30 1.933 -12.320 -1.740
245 HD23 LEU 30 2HD2 LEU 30 2.948 -11.281 -2.741
246 H LYS 31 H LYS 31 5.611 -10.798 0.905
247 HA LYS 31 HA LYS 31 3.194 -9.554 1.963
248 HB2 LYS 31 2HB LYS 31 6.009 -8.455 1.726
249 HB3 LYS 31 1HB LYS 31 4.644 -7.606 2.420
250 HG2 LYS 31 2HG LYS 31 5.881 -10.130 3.509
251 HG3 LYS 31 1HG LYS 31 6.125 -8.502 4.139
252 HD2 LYS 31 2HD LYS 31 3.666 -8.375 4.561
253 HD3 LYS 31 1HD LYS 31 3.547 -10.066 4.073
254 HE2 LYS 31 2HE LYS 31 5.092 -10.686 5.871
255 HE3 LYS 31 1HE LYS 31 5.200 -8.999 6.353
256 HZ1 LYS 31 3HZ LYS 31 3.636 -10.066 7.774
257 HZ2 LYS 31 1HZ LYS 31 2.781 -10.720 6.472
258 HZ3 LYS 31 2HZ LYS 31 2.765 -9.070 6.731
259 H LEU 32 H LEU 32 1.898 -9.059 0.336
260 HA LEU 32 HA LEU 32 2.951 -8.101 -2.173
261 HB2 LEU 32 2HB LEU 32 0.960 -9.604 -1.982
262 HB3 LEU 32 1HB LEU 32 0.074 -8.318 -1.191
263 HG LEU 32 HG LEU 32 1.071 -8.208 -4.065
264 HD11 LEU 32 1HD1 LEU 32 -1.669 -8.851 -2.994
265 HD12 LEU 32 2HD1 LEU 32 -0.572 -9.966 -3.809
266 HD13 LEU 32 3HD1 LEU 32 -1.260 -8.604 -4.691
267 HD21 LEU 32 3HD2 LEU 32 0.694 -5.984 -3.063
268 HD22 LEU 32 1HD2 LEU 32 -0.940 -6.470 -2.613
269 HD23 LEU 32 2HD2 LEU 32 -0.498 -6.340 -4.315
270 H ILE 33 H ILE 33 3.674 -6.111 -2.194
271 HA ILE 33 HA ILE 33 2.455 -4.232 -0.347
272 HB ILE 33 HB ILE 33 5.384 -4.553 -1.009
273 HG12 ILE 33 2HG1 ILE 33 4.500 -6.010 0.753
274 HG13 ILE 33 1HG1 ILE 33 5.635 -4.833 1.405
275 HG21 ILE 33 1HG2 ILE 33 4.101 -2.305 0.541
276 HG22 ILE 33 2HG2 ILE 33 4.874 -2.157 -1.036
277 HG23 ILE 33 3HG2 ILE 33 5.831 -2.590 0.385
278 HD11 ILE 33 3HD1 ILE 33 2.621 -4.732 1.598
279 HD12 ILE 33 1HD1 ILE 33 3.714 -3.460 2.136
280 HD13 ILE 33 2HD1 ILE 33 3.764 -5.047 2.908
281 H LEU 34 H LEU 34 1.136 -3.254 -1.630
282 HA LEU 34 HA LEU 34 2.422 -1.607 -3.651
283 HB2 LEU 34 2HB LEU 34 -0.423 -2.474 -3.332
284 HB3 LEU 34 1HB LEU 34 0.033 -1.184 -4.451
285 HG LEU 34 HG LEU 34 0.835 -4.089 -4.548
286 HD11 LEU 34 1HD1 LEU 34 -0.549 -4.166 -6.568
287 HD12 LEU 34 2HD1 LEU 34 -1.019 -2.487 -6.303
288 HD13 LEU 34 3HD1 LEU 34 -1.493 -3.729 -5.144
289 HD21 LEU 34 3HD2 LEU 34 1.471 -1.840 -6.462
290 HD22 LEU 34 1HD2 LEU 34 1.805 -3.549 -6.748
291 HD23 LEU 34 2HD2 LEU 34 2.622 -2.704 -5.439
292 H GLN 35 H GLN 35 3.227 -0.678 -1.681
293 HA GLN 35 HA GLN 35 1.353 1.182 -0.446
294 HB2 GLN 35 2HB GLN 35 4.160 0.366 0.318
295 HB3 GLN 35 1HB GLN 35 3.266 1.648 1.121
296 HG2 GLN 35 2HG GLN 35 1.558 0.053 1.780
297 HG3 GLN 35 1HG GLN 35 2.442 -1.241 0.989
298 HE21 GLN 35 1HE2 GLN 35 5.029 -0.208 1.877
299 HE22 GLN 35 2HE2 GLN 35 5.124 -0.538 3.564
300 H GLY 36 H GLY 36 1.216 3.065 -1.350
301 HA2 GLY 36 2HA GLY 36 3.652 4.362 -2.302
302 HA3 GLY 36 1HA GLY 36 2.336 4.140 -3.453
303 H CYS 37 H CYS 37 2.094 6.360 -3.681
304 HA CYS 37 HA CYS 37 0.628 7.570 -1.471
305 HB2 CYS 37 2HB CYS 37 2.723 8.947 -3.172
306 HB3 CYS 37 1HB CYS 37 1.640 9.746 -2.044
307 H SER 38 H SER 38 -1.207 8.591 -2.060
308 HA SER 38 HA SER 38 -1.795 8.821 -4.934
309 HB2 SER 38 2HB SER 38 -2.750 6.716 -3.969
310 HB3 SER 38 1HB SER 38 -3.641 7.684 -2.800
311 HG SER 38 HG SER 38 -5.071 8.109 -4.289
312 H SER 39 H SER 39 -3.201 10.499 -5.464
313 HA SER 39 HA SER 39 -3.196 12.783 -3.800
314 HB2 SER 39 2HB SER 39 -4.907 12.187 -6.219
315 HB3 SER 39 1HB SER 39 -4.490 13.779 -5.573
316 HG SER 39 HG SER 39 -2.290 13.232 -5.985
317 H SER 40 H SER 40 -5.759 10.563 -4.746
318 HA SER 40 HA SER 40 -7.227 11.456 -2.372
319 HB2 SER 40 2HB SER 40 -8.332 10.394 -4.994
320 HB3 SER 40 1HB SER 40 -9.298 10.829 -3.582
321 HG SER 40 HG SER 40 -7.760 12.904 -4.099
322 H CYS 41 H CYS 41 -8.409 9.726 -1.287
323 HA CYS 41 HA CYS 41 -6.801 7.366 -1.195
324 HB2 CYS 41 2HB CYS 41 -7.561 8.305 0.885
325 HB3 CYS 41 1HB CYS 41 -9.237 8.219 0.352
326 H SER 42 H SER 42 -7.283 5.379 -1.885
327 HA SER 42 HA SER 42 -9.673 4.970 -3.441
328 HB2 SER 42 2HB SER 42 -7.518 4.079 -4.243
329 HB3 SER 42 1HB SER 42 -7.379 3.123 -2.759
330 HG SER 42 HG SER 42 -9.525 2.862 -4.612
331 H GLU 43 H GLU 43 -11.397 4.333 -2.448
332 HA GLU 43 HA GLU 43 -11.153 3.473 0.289
333 HB2 GLU 43 2HB GLU 43 -13.537 4.512 -1.210
334 HB3 GLU 43 1HB GLU 43 -13.563 4.009 0.478
335 HG2 GLU 43 2HG GLU 43 -11.844 5.676 0.993
336 HG3 GLU 43 1HG GLU 43 -11.872 6.203 -0.685
337 H THR 44 H THR 44 -10.686 1.475 0.310
338 HA THR 44 HA THR 44 -12.753 -0.369 -0.088
339 HB THR 44 HB THR 44 -11.898 -0.458 -2.361
340 HG1 THR 44 1HG THR 44 -12.293 -2.493 -1.301
341 HG21 THR 44 3HG2 THR 44 -9.149 -0.873 -1.179
342 HG22 THR 44 1HG2 THR 44 -9.716 0.588 -1.988
343 HG23 THR 44 2HG2 THR 44 -9.545 -0.911 -2.899
344 H GLU 45 H GLU 45 -12.097 -2.440 1.014
345 HA GLU 45 HA GLU 45 -10.651 -1.833 3.389
346 HB2 GLU 45 2HB GLU 45 -12.637 -3.444 3.102
347 HB3 GLU 45 1HB GLU 45 -11.498 -4.576 2.410
348 HG2 GLU 45 2HG GLU 45 -11.277 -3.491 5.216
349 HG3 GLU 45 1HG GLU 45 -12.127 -4.971 4.806
350 H ASN 46 H ASN 46 -9.950 -3.365 0.405
351 HA ASN 46 HA ASN 46 -7.514 -4.665 0.938
352 HB2 ASN 46 2HB ASN 46 -8.830 -4.985 -1.126
353 HB3 ASN 46 1HB ASN 46 -8.495 -3.335 -1.604
354 HD21 ASN 46 1HD2 ASN 46 -7.964 -5.910 -2.949
355 HD22 ASN 46 2HD2 ASN 46 -6.287 -5.885 -3.301
356 H ASN 47 H ASN 47 -8.204 -1.232 0.313
357 HA ASN 47 HA ASN 47 -5.334 -0.745 0.353
358 HB2 ASN 47 2HB ASN 47 -6.248 -0.189 -1.811
359 HB3 ASN 47 1HB ASN 47 -7.514 0.781 -1.067
360 HD21 ASN 47 1HD2 ASN 47 -7.041 2.785 -0.327
361 HD22 ASN 47 2HD2 ASN 47 -5.527 3.569 -0.592
362 H LYS 48 H LYS 48 -4.710 0.059 2.132
363 HA LYS 48 HA LYS 48 -6.481 1.574 3.881
364 HB2 LYS 48 2HB LYS 48 -3.570 0.827 4.184
365 HB3 LYS 48 1HB LYS 48 -4.556 1.624 5.395
366 HG2 LYS 48 2HG LYS 48 -5.938 -0.357 5.614
367 HG3 LYS 48 1HG LYS 48 -5.035 -1.153 4.323
368 HD2 LYS 48 2HD LYS 48 -4.240 -1.927 6.489
369 HD3 LYS 48 1HD LYS 48 -2.986 -0.996 5.678
370 HE2 LYS 48 2HE LYS 48 -3.684 0.997 7.046
371 HE3 LYS 48 1HE LYS 48 -4.783 -0.059 7.927
372 HZ1 LYS 48 3HZ LYS 48 -2.725 0.167 9.137
373 HZ2 LYS 48 1HZ LYS 48 -1.845 -0.267 7.771
374 HZ3 LYS 48 2HZ LYS 48 -2.795 -1.407 8.525
375 H CYS 49 H CYS 49 -5.945 3.706 4.555
376 HA CYS 49 HA CYS 49 -4.048 5.141 2.869
377 HB2 CYS 49 2HB CYS 49 -6.878 6.006 3.480
378 HB3 CYS 49 1HB CYS 49 -5.661 7.032 2.734
379 H CYS 50 H CYS 50 -2.865 6.565 3.982
380 HA CYS 50 HA CYS 50 -3.787 7.407 6.588
381 HB2 CYS 50 2HB CYS 50 -1.452 6.962 7.449
382 HB3 CYS 50 1HB CYS 50 -2.409 5.521 7.110
383 H SER 51 H SER 51 -2.602 9.392 7.287
384 HA SER 51 HA SER 51 -1.699 10.834 4.891
385 HB2 SER 51 2HB SER 51 -2.816 12.815 5.998
386 HB3 SER 51 1HB SER 51 -3.894 11.552 5.396
387 HG SER 51 HG SER 51 -4.646 11.560 7.333
388 H THR 52 H THR 52 0.007 9.531 6.978
389 HA THR 52 HA THR 52 1.303 11.969 7.988
390 HB THR 52 HB THR 52 1.486 9.289 9.322
391 HG1 THR 52 1HG THR 52 -0.520 11.280 9.426
392 HG21 THR 52 3HG2 THR 52 1.854 12.109 10.367
393 HG22 THR 52 1HG2 THR 52 3.149 10.979 9.969
394 HG23 THR 52 2HG2 THR 52 2.057 10.633 11.308
395 H ASP 53 H ASP 53 3.586 11.825 8.079
396 HA ASP 53 HA ASP 53 4.751 10.630 5.789
397 HB2 ASP 53 2HB ASP 53 6.049 11.966 8.174
398 HB3 ASP 53 1HB ASP 53 6.980 11.308 6.839
399 H ARG 54 H ARG 54 5.640 8.793 5.461
400 HA ARG 54 HA ARG 54 6.347 6.672 5.677
401 HB2 ARG 54 2HB ARG 54 7.228 7.598 8.413
402 HB3 ARG 54 1HB ARG 54 7.681 6.066 7.691
403 HG2 ARG 54 2HG ARG 54 8.814 7.304 5.875
404 HG3 ARG 54 1HG ARG 54 8.414 8.814 6.700
405 HD2 ARG 54 2HD ARG 54 10.070 6.558 7.825
406 HD3 ARG 54 1HD ARG 54 10.690 8.098 7.238
407 HE ARG 54 HE ARG 54 8.921 8.850 9.101
408 HH11 ARG 54 1HH1 ARG 54 11.629 6.575 9.204
409 HH12 ARG 54 2HH1 ARG 54 11.948 6.795 10.857
410 HH21 ARG 54 1HH2 ARG 54 9.370 9.177 11.410
411 HH22 ARG 54 2HH2 ARG 54 10.631 8.291 12.119
412 H CYS 55 H CYS 55 3.566 7.356 6.510
413 HA CYS 55 HA CYS 55 2.974 5.655 8.721
414 HB2 CYS 55 2HB CYS 55 0.633 6.046 8.105
415 HB3 CYS 55 1HB CYS 55 1.558 7.545 8.185
416 H ASN 56 H ASN 56 3.382 5.093 5.349
417 HA ASN 56 HA ASN 56 1.850 2.653 5.472
418 HB2 ASN 56 2HB ASN 56 2.202 2.470 3.045
419 HB3 ASN 56 1HB ASN 56 1.577 4.056 3.461
420 HD21 ASN 56 1HD2 ASN 56 2.830 3.453 1.082
421 HD22 ASN 56 2HD2 ASN 56 4.334 4.291 0.975
422 H LYS 57 H LYS 57 3.185 1.866 7.057
423 HA LYS 57 HA LYS 57 5.519 0.482 6.000
424 HB2 LYS 57 2HB LYS 57 6.570 0.765 8.270
425 HB3 LYS 57 1HB LYS 57 6.374 2.251 7.346
426 HG2 LYS 57 2HG LYS 57 4.376 2.796 8.654
427 HG3 LYS 57 1HG LYS 57 4.627 1.333 9.609
428 HD2 LYS 57 2HD LYS 57 6.708 2.157 10.443
429 HD3 LYS 57 1HD LYS 57 6.652 3.539 9.343
430 HE2 LYS 57 2HE LYS 57 4.634 4.341 10.469
431 HE3 LYS 57 1HE LYS 57 4.717 2.978 11.584
432 HZ1 LYS 57 3HZ LYS 57 6.820 3.795 12.386
433 HZ2 LYS 57 1HZ LYS 57 5.649 4.990 12.524
434 HZ3 LYS 57 2HZ LYS 57 6.792 5.086 11.294
Start of MODEL 14
1 H1 LEU 1 1HT LEU 1 4.596 14.346 0.458
2 H2 LEU 1 2HT LEU 1 5.764 15.066 1.425
3 H3 LEU 1 3HT LEU 1 4.147 15.519 1.583
4 HA LEU 1 HA LEU 1 4.812 14.052 3.373
5 HB2 LEU 1 2HB LEU 1 2.560 13.883 1.816
6 HB3 LEU 1 1HB LEU 1 3.185 12.261 1.641
7 HG LEU 1 HG LEU 1 2.343 13.613 4.197
8 HD11 LEU 1 2HD1 LEU 1 1.128 11.330 2.676
9 HD12 LEU 1 3HD1 LEU 1 0.488 12.965 2.799
10 HD13 LEU 1 1HD1 LEU 1 0.577 11.944 4.234
11 HD21 LEU 1 1HD2 LEU 1 2.719 11.457 5.287
12 HD22 LEU 1 2HD2 LEU 1 4.218 12.119 4.634
13 HD23 LEU 1 3HD2 LEU 1 3.387 10.815 3.788
14 H LYS 2 H LYS 2 6.055 12.269 3.939
15 HA LYS 2 HA LYS 2 7.405 10.924 1.722
16 HB2 LYS 2 2HB LYS 2 9.226 10.496 3.448
17 HB3 LYS 2 1HB LYS 2 9.035 12.158 2.903
18 HG2 LYS 2 2HG LYS 2 7.724 12.612 4.947
19 HG3 LYS 2 1HG LYS 2 8.068 10.970 5.487
20 HD2 LYS 2 2HD LYS 2 10.408 11.422 5.595
21 HD3 LYS 2 1HD LYS 2 10.201 12.985 4.803
22 HE2 LYS 2 2HE LYS 2 9.119 12.205 7.506
23 HE3 LYS 2 1HE LYS 2 10.499 13.259 7.209
24 HZ1 LYS 2 3HZ LYS 2 8.600 14.623 7.633
25 HZ2 LYS 2 1HZ LYS 2 7.655 13.792 6.510
26 HZ3 LYS 2 2HZ LYS 2 8.912 14.748 5.975
27 H CYS 3 H CYS 3 6.889 8.914 1.399
28 HA CYS 3 HA CYS 3 6.242 7.210 3.631
29 HB2 CYS 3 2HB CYS 3 4.332 7.725 1.354
30 HB3 CYS 3 1HB CYS 3 4.212 6.324 2.418
31 H PHE 4 H PHE 4 5.870 4.882 2.852
32 HA PHE 4 HA PHE 4 8.315 4.278 1.455
33 HB2 PHE 4 2HB PHE 4 6.294 2.423 2.727
34 HB3 PHE 4 1HB PHE 4 7.903 1.986 2.173
35 HD1 PHE 4 2HD PHE 4 5.960 3.653 4.763
36 HD2 PHE 4 1HD PHE 4 9.851 2.602 3.449
37 HE1 PHE 4 2HE PHE 4 6.838 4.169 6.981
38 HE2 PHE 4 1HE PHE 4 10.746 3.113 5.657
39 HZ PHE 4 HZ PHE 4 9.246 3.897 7.450
40 H GLN 5 H GLN 5 7.544 5.000 -0.650
41 HA GLN 5 HA GLN 5 5.462 3.383 -1.878
42 HB2 GLN 5 2HB GLN 5 5.614 5.740 -2.556
43 HB3 GLN 5 1HB GLN 5 7.262 5.501 -3.092
44 HG2 GLN 5 2HG GLN 5 4.998 4.004 -4.391
45 HG3 GLN 5 1HG GLN 5 5.367 5.662 -4.850
46 HE21 GLN 5 1HE2 GLN 5 8.236 5.380 -4.626
47 HE22 GLN 5 2HE2 GLN 5 8.739 4.366 -5.924
48 H HIS 6 H HIS 6 8.943 3.621 -2.066
49 HA HIS 6 HA HIS 6 8.940 1.242 -3.791
50 HB2 HIS 6 2HB HIS 6 10.215 3.328 -4.509
51 HB3 HIS 6 1HB HIS 6 11.279 3.070 -3.135
52 HD1 HIS 6 1HD HIS 6 13.451 2.224 -4.096
53 HD2 HIS 6 2HD HIS 6 10.138 0.518 -5.931
54 HE1 HIS 6 1HE HIS 6 14.355 0.548 -5.747
55 H GLY 7 H GLY 7 8.468 1.517 -0.865
56 HA2 GLY 7 2HA GLY 7 8.805 -0.095 0.819
57 HA3 GLY 7 1HA GLY 7 10.294 -0.588 0.012
58 H LYS 8 H LYS 8 11.110 2.165 -0.312
59 HA LYS 8 HA LYS 8 12.040 2.699 2.393
60 HB2 LYS 8 2HB LYS 8 13.201 3.374 -0.313
61 HB3 LYS 8 1HB LYS 8 13.764 4.148 1.153
62 HG2 LYS 8 2HG LYS 8 15.271 2.356 0.526
63 HG3 LYS 8 1HG LYS 8 14.457 1.955 2.031
64 HD2 LYS 8 2HD LYS 8 12.913 0.496 0.786
65 HD3 LYS 8 1HD LYS 8 13.755 0.897 -0.710
66 HE2 LYS 8 2HE LYS 8 15.790 -0.110 0.124
67 HE3 LYS 8 1HE LYS 8 15.036 -0.414 1.687
68 HZ1 LYS 8 3HZ LYS 8 13.519 -1.954 0.643
69 HZ2 LYS 8 1HZ LYS 8 15.100 -2.384 0.269
70 HZ3 LYS 8 2HZ LYS 8 14.152 -1.618 -0.888
71 H VAL 9 H VAL 9 12.321 4.995 2.898
72 HA VAL 9 HA VAL 9 9.884 6.406 2.547
73 HB VAL 9 HB VAL 9 12.500 7.409 3.703
74 HG11 VAL 9 1HG1 VAL 9 9.689 8.424 4.069
75 HG12 VAL 9 2HG1 VAL 9 10.982 9.221 3.170
76 HG13 VAL 9 3HG1 VAL 9 11.115 9.022 4.918
77 HG21 VAL 9 3HG2 VAL 9 10.156 6.108 5.072
78 HG22 VAL 9 1HG2 VAL 9 11.536 6.840 5.886
79 HG23 VAL 9 2HG2 VAL 9 11.763 5.419 4.867
80 H VAL 10 H VAL 10 9.410 7.278 0.620
81 HA VAL 10 HA VAL 10 11.461 8.923 -0.649
82 HB VAL 10 HB VAL 10 10.406 8.532 -2.822
83 HG11 VAL 10 1HG1 VAL 10 10.988 6.173 -3.148
84 HG12 VAL 10 2HG1 VAL 10 11.037 5.955 -1.399
85 HG13 VAL 10 3HG1 VAL 10 12.192 7.029 -2.185
86 HG21 VAL 10 3HG2 VAL 10 8.562 6.631 -1.377
87 HG22 VAL 10 1HG2 VAL 10 8.666 6.866 -3.123
88 HG23 VAL 10 2HG2 VAL 10 8.106 8.184 -2.088
89 H THR 11 H THR 11 10.677 10.876 -1.649
90 HA THR 11 HA THR 11 8.515 11.957 -0.066
91 HB THR 11 HB THR 11 10.267 13.420 -2.057
92 HG1 THR 11 1HG THR 11 11.240 12.216 -0.100
93 HG21 THR 11 3HG2 THR 11 8.657 14.341 0.334
94 HG22 THR 11 1HG2 THR 11 8.212 14.583 -1.355
95 HG23 THR 11 2HG2 THR 11 9.648 15.372 -0.698
96 H CYS 12 H CYS 12 6.547 11.758 -0.810
97 HA CYS 12 HA CYS 12 5.895 11.302 -3.585
98 HB2 CYS 12 2HB CYS 12 4.167 11.682 -1.126
99 HB3 CYS 12 1HB CYS 12 3.650 10.999 -2.675
100 H HIS 13 H HIS 13 4.425 12.723 -4.817
101 HA HIS 13 HA HIS 13 5.396 15.400 -4.620
102 HB2 HIS 13 2HB HIS 13 4.796 14.152 -6.794
103 HB3 HIS 13 1HB HIS 13 3.122 14.522 -6.410
104 HD1 HIS 13 1HD HIS 13 2.305 16.646 -7.606
105 HD2 HIS 13 2HD HIS 13 6.397 16.678 -6.793
106 HE1 HIS 13 1HE HIS 13 3.162 18.859 -8.405
107 H ARG 14 H ARG 14 3.836 17.292 -4.787
108 HA ARG 14 HA ARG 14 2.443 17.445 -2.343
109 HB2 ARG 14 2HB ARG 14 2.623 19.366 -4.644
110 HB3 ARG 14 1HB ARG 14 1.790 19.733 -3.141
111 HG2 ARG 14 2HG ARG 14 4.702 18.993 -3.348
112 HG3 ARG 14 1HG ARG 14 4.078 20.641 -3.235
113 HD2 ARG 14 2HD ARG 14 3.078 20.126 -1.076
114 HD3 ARG 14 1HD ARG 14 3.649 18.468 -1.173
115 HE ARG 14 HE ARG 14 5.794 20.271 -1.428
116 HH11 ARG 14 1HH1 ARG 14 3.564 18.957 1.006
117 HH12 ARG 14 2HH1 ARG 14 4.644 19.147 2.305
118 HH21 ARG 14 1HH2 ARG 14 7.278 20.565 0.379
119 HH22 ARG 14 2HH2 ARG 14 6.807 20.097 1.937
120 H ASP 15 H ASP 15 1.331 16.266 -5.288
121 HA ASP 15 HA ASP 15 -1.462 16.994 -4.981
122 HB2 ASP 15 2HB ASP 15 -0.275 14.637 -6.480
123 HB3 ASP 15 1HB ASP 15 -1.912 15.239 -6.635
124 H MET 16 H MET 16 0.724 14.589 -3.979
125 HA MET 16 HA MET 16 -1.191 12.658 -3.211
126 HB2 MET 16 2HB MET 16 1.780 12.850 -3.123
127 HB3 MET 16 1HB MET 16 1.035 11.547 -2.246
128 HG2 MET 16 2HG MET 16 1.600 10.712 -4.338
129 HG3 MET 16 1HG MET 16 -0.144 10.943 -4.342
130 HE1 MET 16 3HE MET 16 0.466 11.530 -7.978
131 HE2 MET 16 1HE MET 16 -0.654 10.971 -6.719
132 HE3 MET 16 2HE MET 16 0.966 10.296 -6.799
133 H LYS 17 H LYS 17 -2.458 13.142 -1.704
134 HA LYS 17 HA LYS 17 -1.547 14.518 0.689
135 HB2 LYS 17 2HB LYS 17 -3.624 15.200 -0.521
136 HB3 LYS 17 1HB LYS 17 -4.303 13.635 -0.147
137 HG2 LYS 17 2HG LYS 17 -4.203 14.131 2.239
138 HG3 LYS 17 1HG LYS 17 -3.497 15.709 1.877
139 HD2 LYS 17 2HD LYS 17 -5.504 16.332 0.634
140 HD3 LYS 17 1HD LYS 17 -6.196 14.742 0.962
141 HE2 LYS 17 2HE LYS 17 -6.159 15.218 3.353
142 HE3 LYS 17 1HE LYS 17 -5.449 16.799 3.026
143 HZ1 LYS 17 3HZ LYS 17 -7.453 17.407 1.819
144 HZ2 LYS 17 1HZ LYS 17 -7.832 16.940 3.390
145 HZ3 LYS 17 2HZ LYS 17 -8.130 15.892 2.113
146 H PHE 18 H PHE 18 -2.286 11.380 -0.491
147 HA PHE 18 HA PHE 18 -2.367 10.313 2.241
148 HB2 PHE 18 2HB PHE 18 -3.871 9.260 -0.162
149 HB3 PHE 18 1HB PHE 18 -3.894 8.590 1.460
150 HD1 PHE 18 1HD PHE 18 -5.061 11.292 -0.708
151 HD2 PHE 18 2HD PHE 18 -5.220 9.622 3.202
152 HE1 PHE 18 1HE PHE 18 -7.004 12.661 -0.224
153 HE2 PHE 18 2HE PHE 18 -7.187 11.011 3.708
154 HZ PHE 18 HZ PHE 18 -8.088 12.536 1.997
155 H CYS 19 H CYS 19 -1.245 8.481 2.527
156 HA CYS 19 HA CYS 19 0.347 7.435 0.310
157 HB2 CYS 19 2HB CYS 19 0.655 7.015 3.290
158 HB3 CYS 19 1HB CYS 19 1.775 6.540 2.013
159 H TYR 20 H TYR 20 0.142 5.152 -0.042
160 HA TYR 20 HA TYR 20 -1.944 3.969 1.578
161 HB2 TYR 20 2HB TYR 20 -2.991 2.904 -0.366
162 HB3 TYR 20 1HB TYR 20 -3.074 4.652 -0.432
163 HD1 TYR 20 2HD TYR 20 -1.593 1.638 -1.953
164 HD2 TYR 20 1HD TYR 20 -1.973 5.860 -2.209
165 HE1 TYR 20 2HE TYR 20 -0.744 1.560 -4.241
166 HE2 TYR 20 1HE TYR 20 -1.125 5.793 -4.517
167 HH TYR 20 HH TYR 20 -0.934 2.943 -6.264
168 H HIS 21 H HIS 21 -1.979 1.883 1.836
169 HA HIS 21 HA HIS 21 0.305 0.308 0.901
170 HB2 HIS 21 2HB HIS 21 0.578 0.809 3.331
171 HB3 HIS 21 1HB HIS 21 -1.048 0.195 3.620
172 HD1 HIS 21 1HD HIS 21 0.006 -1.559 5.300
173 HD2 HIS 21 2HD HIS 21 1.216 -2.000 1.350
174 HE1 HIS 21 1HE HIS 21 1.052 -3.838 5.143
175 H ASN 22 H ASN 22 -0.714 -0.807 -0.665
176 HA ASN 22 HA ASN 22 -3.245 -2.096 0.031
177 HB2 ASN 22 2HB ASN 22 -3.325 -0.750 -2.017
178 HB3 ASN 22 1HB ASN 22 -1.962 -1.626 -2.681
179 HD21 ASN 22 1HD2 ASN 22 -2.330 -3.748 -3.475
180 HD22 ASN 22 2HD2 ASN 22 -3.927 -4.338 -3.771
181 H THR 23 H THR 23 -3.023 -3.960 0.785
182 HA THR 23 HA THR 23 -0.599 -5.404 0.726
183 HB THR 23 HB THR 23 -2.018 -7.193 1.863
184 HG1 THR 23 1HG THR 23 -4.008 -5.741 0.850
185 HG21 THR 23 3HG2 THR 23 -2.078 -4.388 2.958
186 HG22 THR 23 1HG2 THR 23 -0.713 -5.499 3.087
187 HG23 THR 23 2HG2 THR 23 -2.235 -5.869 3.906
188 H GLY 24 H GLY 24 -3.421 -5.509 -1.245
189 HA2 GLY 24 2HA GLY 24 -3.696 -6.545 -3.286
190 HA3 GLY 24 1HA GLY 24 -2.170 -7.395 -3.041
191 H MET 25 H MET 25 -3.383 -9.270 -3.798
192 HA MET 25 HA MET 25 -5.086 -10.364 -1.701
193 HB2 MET 25 2HB MET 25 -4.576 -11.316 -4.532
194 HB3 MET 25 1HB MET 25 -5.539 -12.205 -3.363
195 HG2 MET 25 2HG MET 25 -6.141 -9.427 -4.361
196 HG3 MET 25 1HG MET 25 -6.919 -10.908 -4.920
197 HE1 MET 25 3HE MET 25 -8.657 -12.292 -3.533
198 HE2 MET 25 1HE MET 25 -8.997 -12.021 -1.826
199 HE3 MET 25 2HE MET 25 -7.410 -12.600 -2.325
200 HA PRO 26 HA PRO 26 -1.677 -12.504 -0.063
201 HB2 PRO 26 2HB PRO 26 -2.941 -14.637 1.091
202 HB3 PRO 26 1HB PRO 26 -2.930 -13.014 1.783
203 HG2 PRO 26 2HG PRO 26 -5.022 -14.354 0.136
204 HG3 PRO 26 1HG PRO 26 -5.218 -13.350 1.587
205 HD2 PRO 26 2HD PRO 26 -5.650 -12.389 -0.891
206 HD3 PRO 26 1HD PRO 26 -4.945 -11.377 0.396
207 H PHE 27 H PHE 27 -0.286 -13.494 -1.273
208 HA PHE 27 HA PHE 27 -0.929 -16.109 -2.398
209 HB2 PHE 27 2HB PHE 27 0.683 -13.919 -3.727
210 HB3 PHE 27 1HB PHE 27 0.603 -15.578 -4.317
211 HD1 PHE 27 1HD PHE 27 -1.878 -16.412 -4.774
212 HD2 PHE 27 2HD PHE 27 -0.656 -12.343 -4.654
213 HE1 PHE 27 1HE PHE 27 -3.814 -15.787 -6.148
214 HE2 PHE 27 2HE PHE 27 -2.594 -11.717 -6.023
215 HZ PHE 27 HZ PHE 27 -4.174 -13.440 -6.765
216 H ARG 28 H ARG 28 0.782 -17.561 -2.235
217 HA ARG 28 HA ARG 28 2.574 -16.985 -0.086
218 HB2 ARG 28 2HB ARG 28 2.511 -19.370 -1.940
219 HB3 ARG 28 1HB ARG 28 3.480 -19.224 -0.485
220 HG2 ARG 28 2HG ARG 28 1.377 -19.081 0.842
221 HG3 ARG 28 1HG ARG 28 0.483 -19.379 -0.655
222 HD2 ARG 28 2HD ARG 28 1.705 -21.458 -0.973
223 HD3 ARG 28 1HD ARG 28 2.579 -21.193 0.527
224 HE ARG 28 HE ARG 28 -0.150 -21.188 1.105
225 HH11 ARG 28 1HH1 ARG 28 2.286 -23.460 -0.086
226 HH12 ARG 28 2HH1 ARG 28 1.530 -24.845 0.550
227 HH21 ARG 28 1HH2 ARG 28 -1.207 -23.118 1.940
228 HH22 ARG 28 2HH2 ARG 28 -0.496 -24.657 1.714
229 H ASN 29 H ASN 29 4.520 -16.155 -0.180
230 HA ASN 29 HA ASN 29 6.502 -15.409 -0.824
231 HB2 ASN 29 2HB ASN 29 6.123 -17.225 -3.176
232 HB3 ASN 29 1HB ASN 29 7.577 -16.249 -2.957
233 HD21 ASN 29 1HD2 ASN 29 7.330 -19.081 -3.131
234 HD22 ASN 29 2HD2 ASN 29 7.902 -19.750 -1.645
235 H LEU 30 H LEU 30 3.748 -14.667 -2.315
236 HA LEU 30 HA LEU 30 5.075 -12.618 -3.899
237 HB2 LEU 30 2HB LEU 30 3.985 -14.039 -5.448
238 HB3 LEU 30 1HB LEU 30 2.529 -14.103 -4.488
239 HG LEU 30 HG LEU 30 2.081 -11.729 -5.041
240 HD11 LEU 30 1HD1 LEU 30 4.484 -11.948 -6.840
241 HD12 LEU 30 2HD1 LEU 30 4.337 -10.944 -5.392
242 HD13 LEU 30 3HD1 LEU 30 3.328 -10.613 -6.795
243 HD21 LEU 30 3HD2 LEU 30 1.478 -12.072 -7.368
244 HD22 LEU 30 1HD2 LEU 30 1.104 -13.488 -6.388
245 HD23 LEU 30 2HD2 LEU 30 2.525 -13.491 -7.436
246 H LYS 31 H LYS 31 5.132 -11.153 -2.336
247 HA LYS 31 HA LYS 31 2.593 -10.196 -1.303
248 HB2 LYS 31 2HB LYS 31 5.424 -9.231 -0.855
249 HB3 LYS 31 1HB LYS 31 3.991 -8.466 -0.191
250 HG2 LYS 31 2HG LYS 31 3.493 -10.509 1.065
251 HG3 LYS 31 1HG LYS 31 4.956 -11.254 0.416
252 HD2 LYS 31 2HD LYS 31 5.354 -10.369 2.665
253 HD3 LYS 31 1HD LYS 31 6.316 -9.501 1.470
254 HE2 LYS 31 2HE LYS 31 5.335 -7.941 3.077
255 HE3 LYS 31 1HE LYS 31 4.663 -7.665 1.484
256 HZ1 LYS 31 3HZ LYS 31 2.969 -7.621 3.190
257 HZ2 LYS 31 1HZ LYS 31 3.361 -9.175 3.683
258 HZ3 LYS 31 2HZ LYS 31 2.676 -8.912 2.164
259 H LEU 32 H LEU 32 1.506 -9.089 -2.776
260 HA LEU 32 HA LEU 32 2.877 -7.685 -4.852
261 HB2 LEU 32 2HB LEU 32 0.731 -8.765 -5.275
262 HB3 LEU 32 1HB LEU 32 -0.043 -7.769 -4.057
263 HG LEU 32 HG LEU 32 0.403 -5.777 -5.458
264 HD11 LEU 32 1HD1 LEU 32 2.349 -6.568 -6.676
265 HD12 LEU 32 2HD1 LEU 32 1.077 -6.072 -7.789
266 HD13 LEU 32 3HD1 LEU 32 1.365 -7.785 -7.488
267 HD21 LEU 32 3HD2 LEU 32 -1.749 -6.903 -5.584
268 HD22 LEU 32 1HD2 LEU 32 -1.121 -7.994 -6.821
269 HD23 LEU 32 2HD2 LEU 32 -1.287 -6.271 -7.164
270 H ILE 33 H ILE 33 3.945 -5.958 -4.271
271 HA ILE 33 HA ILE 33 2.995 -4.403 -2.057
272 HB ILE 33 HB ILE 33 5.602 -4.319 -3.593
273 HG12 ILE 33 2HG1 ILE 33 5.377 -6.146 -1.993
274 HG13 ILE 33 1HG1 ILE 33 6.570 -4.981 -1.427
275 HG21 ILE 33 1HG2 ILE 33 6.405 -2.592 -2.063
276 HG22 ILE 33 2HG2 ILE 33 4.814 -2.497 -1.319
277 HG23 ILE 33 3HG2 ILE 33 5.027 -2.009 -3.001
278 HD11 ILE 33 3HD1 ILE 33 4.811 -4.002 0.047
279 HD12 ILE 33 1HD1 ILE 33 5.214 -5.681 0.439
280 HD13 ILE 33 2HD1 ILE 33 3.738 -5.300 -0.444
281 H LEU 34 H LEU 34 1.313 -3.345 -2.659
282 HA LEU 34 HA LEU 34 1.850 -1.312 -4.657
283 HB2 LEU 34 2HB LEU 34 -0.751 -2.517 -3.790
284 HB3 LEU 34 1HB LEU 34 -0.701 -1.002 -4.695
285 HG LEU 34 HG LEU 34 0.227 -3.730 -5.601
286 HD11 LEU 34 1HD1 LEU 34 -2.192 -3.514 -5.535
287 HD12 LEU 34 2HD1 LEU 34 -1.618 -3.566 -7.201
288 HD13 LEU 34 3HD1 LEU 34 -2.099 -2.029 -6.482
289 HD21 LEU 34 3HD2 LEU 34 1.653 -2.028 -6.591
290 HD22 LEU 34 1HD2 LEU 34 0.234 -1.097 -7.082
291 HD23 LEU 34 2HD2 LEU 34 0.553 -2.671 -7.805
292 H GLN 35 H GLN 35 3.122 -0.659 -2.821
293 HA GLN 35 HA GLN 35 1.616 1.040 -0.978
294 HB2 GLN 35 2HB GLN 35 4.563 0.364 -1.096
295 HB3 GLN 35 1HB GLN 35 3.800 1.381 0.112
296 HG2 GLN 35 2HG GLN 35 2.542 -0.496 0.936
297 HG3 GLN 35 1HG GLN 35 3.225 -1.546 -0.305
298 HE21 GLN 35 1HE2 GLN 35 5.047 0.925 1.413
299 HE22 GLN 35 2HE2 GLN 35 6.033 -0.173 2.301
300 H GLY 36 H GLY 36 1.242 2.993 -1.834
301 HA2 GLY 36 2HA GLY 36 3.480 4.361 -3.075
302 HA3 GLY 36 1HA GLY 36 2.004 4.202 -4.029
303 H CYS 37 H CYS 37 2.166 6.557 -3.938
304 HA CYS 37 HA CYS 37 0.620 7.438 -1.639
305 HB2 CYS 37 2HB CYS 37 2.727 8.994 -3.164
306 HB3 CYS 37 1HB CYS 37 1.583 9.708 -2.038
307 H SER 38 H SER 38 -1.134 8.754 -2.128
308 HA SER 38 HA SER 38 -1.665 9.068 -4.971
309 HB2 SER 38 2HB SER 38 -2.759 6.966 -4.199
310 HB3 SER 38 1HB SER 38 -3.651 7.906 -3.006
311 HG SER 38 HG SER 38 -5.032 8.132 -4.512
312 H SER 39 H SER 39 -3.169 10.684 -5.447
313 HA SER 39 HA SER 39 -3.117 12.955 -3.790
314 HB2 SER 39 2HB SER 39 -4.847 12.362 -6.172
315 HB3 SER 39 1HB SER 39 -4.237 13.942 -5.627
316 HG SER 39 HG SER 39 -2.925 13.296 -7.262
317 H SER 40 H SER 40 -5.639 10.612 -4.677
318 HA SER 40 HA SER 40 -7.162 11.589 -2.389
319 HB2 SER 40 2HB SER 40 -8.216 12.098 -4.633
320 HB3 SER 40 1HB SER 40 -8.279 10.369 -4.945
321 HG SER 40 HG SER 40 -10.229 11.119 -4.170
322 H CYS 41 H CYS 41 -8.926 9.428 -2.221
323 HA CYS 41 HA CYS 41 -7.055 7.205 -1.817
324 HB2 CYS 41 2HB CYS 41 -7.231 8.146 0.339
325 HB3 CYS 41 1HB CYS 41 -8.977 8.330 0.197
326 H SER 42 H SER 42 -7.714 5.298 -2.423
327 HA SER 42 HA SER 42 -10.476 4.837 -3.173
328 HB2 SER 42 2HB SER 42 -8.115 2.920 -3.181
329 HB3 SER 42 1HB SER 42 -9.612 2.783 -4.109
330 HG SER 42 HG SER 42 -8.940 4.891 -4.991
331 H GLU 43 H GLU 43 -11.692 4.601 -1.311
332 HA GLU 43 HA GLU 43 -10.461 3.626 1.044
333 HB2 GLU 43 2HB GLU 43 -13.303 4.472 0.552
334 HB3 GLU 43 1HB GLU 43 -12.708 3.910 2.110
335 HG2 GLU 43 2HG GLU 43 -11.032 5.724 2.091
336 HG3 GLU 43 1HG GLU 43 -11.731 6.313 0.587
337 H THR 44 H THR 44 -10.126 1.722 1.586
338 HA THR 44 HA THR 44 -12.045 -0.329 1.548
339 HB THR 44 HB THR 44 -11.497 -0.634 -0.768
340 HG1 THR 44 1HG THR 44 -11.344 -2.642 -0.399
341 HG21 THR 44 3HG2 THR 44 -8.629 -0.387 0.048
342 HG22 THR 44 1HG2 THR 44 -9.540 0.726 -0.960
343 HG23 THR 44 2HG2 THR 44 -9.148 -0.891 -1.566
344 H GLU 45 H GLU 45 -10.895 -2.365 2.369
345 HA GLU 45 HA GLU 45 -9.197 -1.572 4.589
346 HB2 GLU 45 2HB GLU 45 -11.164 -3.108 4.836
347 HB3 GLU 45 1HB GLU 45 -10.300 -4.292 3.870
348 HG2 GLU 45 2HG GLU 45 -10.123 -4.836 6.206
349 HG3 GLU 45 1HG GLU 45 -8.539 -4.374 5.579
350 H ASN 46 H ASN 46 -8.985 -3.094 1.511
351 HA ASN 46 HA ASN 46 -6.536 -4.528 2.016
352 HB2 ASN 46 2HB ASN 46 -8.249 -5.168 0.246
353 HB3 ASN 46 1HB ASN 46 -7.694 -3.782 -0.686
354 HD21 ASN 46 1HD2 ASN 46 -7.635 -6.644 -1.323
355 HD22 ASN 46 2HD2 ASN 46 -5.980 -7.038 -1.595
356 H ASN 47 H ASN 47 -7.432 -1.593 0.289
357 HA ASN 47 HA ASN 47 -4.653 -0.739 0.225
358 HB2 ASN 47 2HB ASN 47 -5.746 -0.567 -1.876
359 HB3 ASN 47 1HB ASN 47 -7.138 0.265 -1.191
360 HD21 ASN 47 1HD2 ASN 47 -6.973 2.450 -0.762
361 HD22 ASN 47 2HD2 ASN 47 -5.664 3.405 -1.340
362 H LYS 48 H LYS 48 -4.196 -0.038 2.095
363 HA LYS 48 HA LYS 48 -6.049 1.493 3.713
364 HB2 LYS 48 2HB LYS 48 -3.237 0.522 4.198
365 HB3 LYS 48 1HB LYS 48 -4.187 1.412 5.379
366 HG2 LYS 48 2HG LYS 48 -5.848 -0.357 5.385
367 HG3 LYS 48 1HG LYS 48 -4.916 -1.259 4.191
368 HD2 LYS 48 2HD LYS 48 -3.114 -1.559 5.735
369 HD3 LYS 48 1HD LYS 48 -3.849 -0.452 6.893
370 HE2 LYS 48 2HE LYS 48 -4.210 -2.744 7.606
371 HE3 LYS 48 1HE LYS 48 -5.734 -2.000 7.152
372 HZ1 LYS 48 3HZ LYS 48 -5.682 -3.209 5.065
373 HZ2 LYS 48 1HZ LYS 48 -5.516 -4.249 6.371
374 HZ3 LYS 48 2HZ LYS 48 -4.170 -3.883 5.467
375 H CYS 49 H CYS 49 -6.170 3.631 3.588
376 HA CYS 49 HA CYS 49 -3.927 5.128 2.418
377 HB2 CYS 49 2HB CYS 49 -6.731 6.062 2.978
378 HB3 CYS 49 1HB CYS 49 -5.489 6.929 2.093
379 H CYS 50 H CYS 50 -2.809 6.435 3.687
380 HA CYS 50 HA CYS 50 -4.007 7.418 6.141
381 HB2 CYS 50 2HB CYS 50 -1.852 6.910 7.307
382 HB3 CYS 50 1HB CYS 50 -2.739 5.471 6.805
383 H SER 51 H SER 51 -2.851 9.394 6.872
384 HA SER 51 HA SER 51 -1.450 10.653 4.633
385 HB2 SER 51 2HB SER 51 -2.779 12.744 5.444
386 HB3 SER 51 1HB SER 51 -3.569 11.539 4.425
387 HG SER 51 HG SER 51 -3.826 11.997 7.189
388 H THR 52 H THR 52 -0.212 9.499 6.953
389 HA THR 52 HA THR 52 0.900 11.908 8.233
390 HB THR 52 HB THR 52 0.838 9.142 9.457
391 HG1 THR 52 1HG THR 52 -1.308 9.901 9.257
392 HG21 THR 52 3HG2 THR 52 1.228 10.346 11.569
393 HG22 THR 52 1HG2 THR 52 1.258 11.872 10.685
394 HG23 THR 52 2HG2 THR 52 2.507 10.658 10.396
395 H ASP 53 H ASP 53 3.238 11.611 8.785
396 HA ASP 53 HA ASP 53 4.624 10.716 6.470
397 HB2 ASP 53 2HB ASP 53 5.772 11.594 9.134
398 HB3 ASP 53 1HB ASP 53 6.733 11.210 7.712
399 H ARG 54 H ARG 54 5.371 8.877 5.923
400 HA ARG 54 HA ARG 54 6.064 6.731 5.893
401 HB2 ARG 54 2HB ARG 54 6.875 7.321 8.740
402 HB3 ARG 54 1HB ARG 54 7.345 5.882 7.862
403 HG2 ARG 54 2HG ARG 54 8.526 7.318 6.228
404 HG3 ARG 54 1HG ARG 54 8.109 8.721 7.218
405 HD2 ARG 54 2HD ARG 54 9.716 6.334 8.112
406 HD3 ARG 54 1HD ARG 54 10.367 7.927 7.723
407 HE ARG 54 HE ARG 54 8.894 8.731 9.585
408 HH11 ARG 54 1HH1 ARG 54 10.331 5.474 9.622
409 HH12 ARG 54 2HH1 ARG 54 10.263 5.344 11.316
410 HH21 ARG 54 1HH2 ARG 54 8.844 8.524 11.891
411 HH22 ARG 54 2HH2 ARG 54 9.427 7.118 12.640
412 H CYS 55 H CYS 55 3.303 7.393 6.764
413 HA CYS 55 HA CYS 55 2.577 5.609 8.850
414 HB2 CYS 55 2HB CYS 55 0.291 6.142 8.214
415 HB3 CYS 55 1HB CYS 55 1.305 7.582 8.311
416 H ASN 56 H ASN 56 3.075 5.030 5.451
417 HA ASN 56 HA ASN 56 1.207 2.805 5.422
418 HB2 ASN 56 2HB ASN 56 1.578 2.647 3.032
419 HB3 ASN 56 1HB ASN 56 1.349 4.331 3.455
420 HD21 ASN 56 1HD2 ASN 56 2.515 3.207 1.129
421 HD22 ASN 56 2HD2 ASN 56 4.150 3.742 1.016
422 H LYS 57 H LYS 57 3.380 2.605 7.133
423 HA LYS 57 HA LYS 57 5.139 0.624 5.983
424 HB2 LYS 57 2HB LYS 57 6.336 0.741 8.140
425 HB3 LYS 57 1HB LYS 57 6.219 2.293 7.335
426 HG2 LYS 57 2HG LYS 57 4.344 2.881 8.831
427 HG3 LYS 57 1HG LYS 57 4.582 1.348 9.669
428 HD2 LYS 57 2HD LYS 57 6.907 2.045 10.170
429 HD3 LYS 57 1HD LYS 57 6.556 3.609 9.434
430 HE2 LYS 57 2HE LYS 57 6.323 3.753 11.830
431 HE3 LYS 57 1HE LYS 57 4.752 3.951 11.058
432 HZ1 LYS 57 3HZ LYS 57 5.769 1.450 12.281
433 HZ2 LYS 57 1HZ LYS 57 4.239 1.651 11.587
434 HZ3 LYS 57 2HZ LYS 57 4.655 2.494 12.982
Start of MODEL 15
1 H1 LEU 1 1HT LEU 1 4.381 14.318 1.022
2 H2 LEU 1 2HT LEU 1 5.369 15.116 2.142
3 H3 LEU 1 3HT LEU 1 3.710 15.168 2.322
4 HA LEU 1 HA LEU 1 4.722 13.641 3.858
5 HB2 LEU 1 2HB LEU 1 2.975 12.528 1.704
6 HB3 LEU 1 1HB LEU 1 3.568 11.496 2.981
7 HG LEU 1 HG LEU 1 1.954 13.992 3.481
8 HD11 LEU 1 2HD1 LEU 1 1.134 11.087 3.397
9 HD12 LEU 1 3HD1 LEU 1 0.629 12.329 2.254
10 HD13 LEU 1 1HD1 LEU 1 0.114 12.422 3.938
11 HD21 LEU 1 1HD2 LEU 1 1.713 12.950 5.713
12 HD22 LEU 1 2HD2 LEU 1 3.389 13.341 5.322
13 HD23 LEU 1 3HD2 LEU 1 2.833 11.682 5.205
14 H LYS 2 H LYS 2 6.175 12.164 4.343
15 HA LYS 2 HA LYS 2 7.580 11.004 2.105
16 HB2 LYS 2 2HB LYS 2 9.493 10.621 3.727
17 HB3 LYS 2 1HB LYS 2 9.164 12.303 3.368
18 HG2 LYS 2 2HG LYS 2 7.933 12.467 5.519
19 HG3 LYS 2 1HG LYS 2 8.384 10.800 5.858
20 HD2 LYS 2 2HD LYS 2 10.736 11.393 5.828
21 HD3 LYS 2 1HD LYS 2 10.336 13.051 5.377
22 HE2 LYS 2 2HE LYS 2 9.459 11.706 7.931
23 HE3 LYS 2 1HE LYS 2 10.857 12.767 7.801
24 HZ1 LYS 2 3HZ LYS 2 8.028 13.550 7.256
25 HZ2 LYS 2 1HZ LYS 2 9.365 14.569 7.159
26 HZ3 LYS 2 2HZ LYS 2 8.878 13.935 8.641
27 H CYS 3 H CYS 3 6.942 9.085 1.688
28 HA CYS 3 HA CYS 3 6.217 7.278 3.849
29 HB2 CYS 3 2HB CYS 3 4.488 7.850 1.424
30 HB3 CYS 3 1HB CYS 3 4.207 6.575 2.612
31 H PHE 4 H PHE 4 5.891 4.998 2.903
32 HA PHE 4 HA PHE 4 8.305 4.468 1.411
33 HB2 PHE 4 2HB PHE 4 6.255 2.586 2.604
34 HB3 PHE 4 1HB PHE 4 7.739 2.075 1.816
35 HD1 PHE 4 1HD PHE 4 6.344 3.803 4.745
36 HD2 PHE 4 2HD PHE 4 9.805 2.144 2.946
37 HE1 PHE 4 1HE PHE 4 7.519 3.961 6.893
38 HE2 PHE 4 2HE PHE 4 10.990 2.283 5.088
39 HZ PHE 4 HZ PHE 4 9.849 3.195 7.070
40 H GLN 5 H GLN 5 7.475 5.558 -0.416
41 HA GLN 5 HA GLN 5 5.283 4.421 -1.916
42 HB2 GLN 5 2HB GLN 5 5.741 6.840 -1.864
43 HB3 GLN 5 1HB GLN 5 7.278 6.543 -2.655
44 HG2 GLN 5 2HG GLN 5 6.025 5.627 -4.585
45 HG3 GLN 5 1HG GLN 5 4.536 6.139 -3.792
46 HE21 GLN 5 1HE2 GLN 5 7.562 7.899 -3.743
47 HE22 GLN 5 2HE2 GLN 5 7.062 9.255 -4.647
48 H HIS 6 H HIS 6 8.765 4.546 -2.090
49 HA HIS 6 HA HIS 6 8.730 2.762 -4.417
50 HB2 HIS 6 2HB HIS 6 10.915 4.599 -3.391
51 HB3 HIS 6 1HB HIS 6 11.138 3.459 -4.712
52 HD1 HIS 6 1HD HIS 6 10.863 6.922 -4.510
53 HD2 HIS 6 2HD HIS 6 8.650 4.056 -6.578
54 HE1 HIS 6 1HE HIS 6 9.736 8.133 -6.374
55 H GLY 7 H GLY 7 8.363 2.144 -1.538
56 HA2 GLY 7 2HA GLY 7 8.888 0.144 -0.403
57 HA3 GLY 7 1HA GLY 7 10.388 0.040 -1.327
58 H LYS 8 H LYS 8 11.129 2.676 -0.956
59 HA LYS 8 HA LYS 8 11.904 2.708 1.856
60 HB2 LYS 8 2HB LYS 8 13.166 3.987 -0.558
61 HB3 LYS 8 1HB LYS 8 13.688 4.298 1.089
62 HG2 LYS 8 2HG LYS 8 14.182 1.869 1.327
63 HG3 LYS 8 1HG LYS 8 13.790 1.670 -0.379
64 HD2 LYS 8 2HD LYS 8 15.956 3.461 0.727
65 HD3 LYS 8 1HD LYS 8 16.219 1.872 0.018
66 HE2 LYS 8 2HE LYS 8 15.061 4.275 -1.404
67 HE3 LYS 8 1HE LYS 8 16.709 3.680 -1.554
68 HZ1 LYS 8 3HZ LYS 8 15.875 1.643 -2.508
69 HZ2 LYS 8 1HZ LYS 8 15.310 2.958 -3.384
70 HZ3 LYS 8 2HZ LYS 8 14.285 2.129 -2.341
71 H VAL 9 H VAL 9 12.110 4.832 2.838
72 HA VAL 9 HA VAL 9 9.738 6.374 2.616
73 HB VAL 9 HB VAL 9 12.339 7.139 3.975
74 HG11 VAL 9 1HG1 VAL 9 10.858 9.021 3.703
75 HG12 VAL 9 2HG1 VAL 9 10.926 8.553 5.404
76 HG13 VAL 9 3HG1 VAL 9 9.525 8.118 4.424
77 HG21 VAL 9 3HG2 VAL 9 11.560 5.001 4.800
78 HG22 VAL 9 1HG2 VAL 9 9.965 5.683 5.103
79 HG23 VAL 9 2HG2 VAL 9 11.356 6.254 6.026
80 H VAL 10 H VAL 10 9.380 7.633 0.937
81 HA VAL 10 HA VAL 10 11.532 9.368 0.011
82 HB VAL 10 HB VAL 10 10.738 9.142 -2.306
83 HG11 VAL 10 1HG1 VAL 10 11.429 6.490 -1.059
84 HG12 VAL 10 2HG1 VAL 10 12.579 7.712 -1.623
85 HG13 VAL 10 3HG1 VAL 10 11.523 6.880 -2.776
86 HG21 VAL 10 3HG2 VAL 10 8.438 8.541 -1.895
87 HG22 VAL 10 1HG2 VAL 10 8.949 6.990 -1.224
88 HG23 VAL 10 2HG2 VAL 10 9.222 7.344 -2.932
89 H THR 11 H THR 11 10.805 11.361 -0.839
90 HA THR 11 HA THR 11 8.443 12.316 0.428
91 HB THR 11 HB THR 11 10.428 13.665 -1.427
92 HG1 THR 11 1HG THR 11 10.072 14.112 1.320
93 HG21 THR 11 3HG2 THR 11 8.257 14.821 -1.470
94 HG22 THR 11 1HG2 THR 11 9.454 15.785 -0.606
95 HG23 THR 11 2HG2 THR 11 8.236 14.872 0.290
96 H CYS 12 H CYS 12 6.572 11.960 -0.401
97 HA CYS 12 HA CYS 12 6.107 11.390 -3.188
98 HB2 CYS 12 2HB CYS 12 4.238 11.644 -0.820
99 HB3 CYS 12 1HB CYS 12 3.824 10.967 -2.401
100 H HIS 13 H HIS 13 4.689 12.633 -4.513
101 HA HIS 13 HA HIS 13 5.415 15.348 -4.554
102 HB2 HIS 13 2HB HIS 13 4.640 13.746 -6.470
103 HB3 HIS 13 1HB HIS 13 3.027 14.330 -6.072
104 HD1 HIS 13 1HD HIS 13 2.349 16.479 -7.452
105 HD2 HIS 13 2HD HIS 13 6.470 15.909 -7.067
106 HE1 HIS 13 1HE HIS 13 3.422 18.246 -8.808
107 H ARG 14 H ARG 14 3.852 17.155 -4.640
108 HA ARG 14 HA ARG 14 2.466 17.197 -2.166
109 HB2 ARG 14 2HB ARG 14 2.679 19.273 -4.331
110 HB3 ARG 14 1HB ARG 14 1.825 19.545 -2.816
111 HG2 ARG 14 2HG ARG 14 3.875 19.129 -1.565
112 HG3 ARG 14 1HG ARG 14 4.738 18.819 -3.071
113 HD2 ARG 14 2HD ARG 14 3.376 21.403 -2.361
114 HD3 ARG 14 1HD ARG 14 5.100 21.092 -2.166
115 HE ARG 14 HE ARG 14 5.028 20.637 -4.645
116 HH11 ARG 14 1HH1 ARG 14 2.873 22.994 -3.085
117 HH12 ARG 14 2HH1 ARG 14 2.756 24.024 -4.423
118 HH21 ARG 14 1HH2 ARG 14 4.905 22.098 -6.521
119 HH22 ARG 14 2HH2 ARG 14 3.947 23.489 -6.426
120 H ASP 15 H ASP 15 1.450 16.339 -5.251
121 HA ASP 15 HA ASP 15 -1.373 16.834 -4.911
122 HB2 ASP 15 2HB ASP 15 0.106 14.993 -6.812
123 HB3 ASP 15 1HB ASP 15 -1.629 15.260 -6.842
124 H MET 16 H MET 16 0.887 14.499 -4.003
125 HA MET 16 HA MET 16 -0.983 12.403 -3.539
126 HB2 MET 16 2HB MET 16 1.970 12.727 -3.053
127 HB3 MET 16 1HB MET 16 1.146 11.366 -2.353
128 HG2 MET 16 2HG MET 16 2.142 10.713 -4.363
129 HG3 MET 16 1HG MET 16 0.394 10.696 -4.540
130 HE1 MET 16 3HE MET 16 1.545 11.548 -8.091
131 HE2 MET 16 1HE MET 16 0.509 10.556 -7.043
132 HE3 MET 16 2HE MET 16 2.261 10.448 -6.885
133 H LYS 17 H LYS 17 -2.399 12.808 -2.138
134 HA LYS 17 HA LYS 17 -1.843 14.292 0.298
135 HB2 LYS 17 2HB LYS 17 -3.883 14.696 -1.152
136 HB3 LYS 17 1HB LYS 17 -4.392 13.084 -0.749
137 HG2 LYS 17 2HG LYS 17 -4.654 13.639 1.568
138 HG3 LYS 17 1HG LYS 17 -3.995 15.252 1.298
139 HD2 LYS 17 2HD LYS 17 -5.873 15.809 -0.140
140 HD3 LYS 17 1HD LYS 17 -6.508 14.171 0.016
141 HE2 LYS 17 2HE LYS 17 -7.716 15.716 1.466
142 HE3 LYS 17 1HE LYS 17 -6.832 14.525 2.415
143 HZ1 LYS 17 3HZ LYS 17 -6.608 16.747 3.336
144 HZ2 LYS 17 1HZ LYS 17 -5.967 17.317 1.895
145 HZ3 LYS 17 2HZ LYS 17 -5.103 16.206 2.793
146 H PHE 18 H PHE 18 -2.104 11.080 -0.817
147 HA PHE 18 HA PHE 18 -2.381 10.128 1.940
148 HB2 PHE 18 2HB PHE 18 -3.681 8.937 -0.494
149 HB3 PHE 18 1HB PHE 18 -3.794 8.351 1.155
150 HD1 PHE 18 1HD PHE 18 -5.025 9.736 2.852
151 HD2 PHE 18 2HD PHE 18 -5.097 10.656 -1.320
152 HE1 PHE 18 1HE PHE 18 -7.054 11.048 3.168
153 HE2 PHE 18 2HE PHE 18 -7.122 11.957 -1.000
154 HZ PHE 18 HZ PHE 18 -8.115 12.167 1.237
155 H CYS 19 H CYS 19 -1.202 8.365 2.403
156 HA CYS 19 HA CYS 19 0.451 7.207 0.293
157 HB2 CYS 19 2HB CYS 19 0.818 7.030 3.307
158 HB3 CYS 19 1HB CYS 19 1.960 6.597 2.025
159 H TYR 20 H TYR 20 -0.009 5.001 -0.097
160 HA TYR 20 HA TYR 20 -2.127 3.977 1.649
161 HB2 TYR 20 2HB TYR 20 -3.248 2.945 -0.207
162 HB3 TYR 20 1HB TYR 20 -3.045 4.657 -0.524
163 HD1 TYR 20 1HD TYR 20 -1.932 1.260 -1.470
164 HD2 TYR 20 2HD TYR 20 -1.749 5.397 -2.417
165 HE1 TYR 20 1HE TYR 20 -0.986 0.694 -3.653
166 HE2 TYR 20 2HE TYR 20 -0.797 4.845 -4.622
167 HH TYR 20 HH TYR 20 -0.925 1.852 -5.943
168 H HIS 21 H HIS 21 -2.441 1.811 1.744
169 HA HIS 21 HA HIS 21 -0.280 0.057 0.901
170 HB2 HIS 21 2HB HIS 21 -0.240 0.333 3.408
171 HB3 HIS 21 1HB HIS 21 -1.936 -0.168 3.433
172 HD1 HIS 21 1HD HIS 21 -1.967 -2.526 4.401
173 HD2 HIS 21 2HD HIS 21 1.148 -1.939 1.709
174 HE1 HIS 21 1HE HIS 21 -0.854 -4.747 4.131
175 H ASN 22 H ASN 22 -1.177 -0.915 -0.733
176 HA ASN 22 HA ASN 22 -4.042 -1.503 -0.709
177 HB2 ASN 22 2HB ASN 22 -2.956 -0.300 -2.658
178 HB3 ASN 22 1HB ASN 22 -2.075 -1.780 -3.006
179 HD21 ASN 22 1HD2 ASN 22 -5.059 -0.138 -3.102
180 HD22 ASN 22 2HD2 ASN 22 -5.952 -1.324 -3.986
181 H THR 23 H THR 23 -4.640 -3.508 -0.275
182 HA THR 23 HA THR 23 -2.546 -5.464 0.122
183 HB THR 23 HB THR 23 -4.375 -6.778 1.263
184 HG1 THR 23 1HG THR 23 -5.853 -4.353 1.127
185 HG21 THR 23 3HG2 THR 23 -2.840 -5.326 2.531
186 HG22 THR 23 1HG2 THR 23 -4.460 -5.330 3.237
187 HG23 THR 23 2HG2 THR 23 -3.930 -3.964 2.258
188 H GLY 24 H GLY 24 -2.093 -6.914 -1.367
189 HA2 GLY 24 2HA GLY 24 -4.118 -7.651 -3.347
190 HA3 GLY 24 1HA GLY 24 -2.395 -8.045 -3.416
191 H MET 25 H MET 25 -3.631 -10.212 -3.885
192 HA MET 25 HA MET 25 -4.615 -11.562 -1.567
193 HB2 MET 25 2HB MET 25 -3.789 -12.605 -4.287
194 HB3 MET 25 1HB MET 25 -4.401 -13.646 -3.013
195 HG2 MET 25 2HG MET 25 -6.498 -12.366 -3.008
196 HG3 MET 25 1HG MET 25 -5.882 -11.380 -4.332
197 HE1 MET 25 3HE MET 25 -4.364 -13.553 -6.146
198 HE2 MET 25 1HE MET 25 -5.434 -12.299 -6.776
199 HE3 MET 25 2HE MET 25 -5.663 -13.976 -7.260
200 HA PRO 26 HA PRO 26 -0.777 -12.798 0.203
201 HB2 PRO 26 2HB PRO 26 -1.481 -15.193 1.322
202 HB3 PRO 26 1HB PRO 26 -1.928 -13.635 2.016
203 HG2 PRO 26 2HG PRO 26 -3.545 -15.462 0.292
204 HG3 PRO 26 1HG PRO 26 -4.041 -14.581 1.752
205 HD2 PRO 26 2HD PRO 26 -4.660 -13.718 -0.714
206 HD3 PRO 26 1HD PRO 26 -4.277 -12.584 0.597
207 H PHE 27 H PHE 27 0.715 -13.288 -1.284
208 HA PHE 27 HA PHE 27 0.658 -15.955 -2.524
209 HB2 PHE 27 2HB PHE 27 2.050 -13.401 -3.361
210 HB3 PHE 27 1HB PHE 27 2.464 -14.968 -4.034
211 HD1 PHE 27 2HD PHE 27 -0.279 -12.489 -3.728
212 HD2 PHE 27 1HD PHE 27 1.243 -15.855 -5.825
213 HE1 PHE 27 2HE PHE 27 -1.971 -12.163 -5.467
214 HE2 PHE 27 1HE PHE 27 -0.451 -15.540 -7.574
215 HZ PHE 27 HZ PHE 27 -2.064 -13.687 -7.399
216 H ARG 28 H ARG 28 2.313 -17.319 -2.088
217 HA ARG 28 HA ARG 28 4.271 -16.447 -0.118
218 HB2 ARG 28 2HB ARG 28 4.864 -18.829 0.069
219 HB3 ARG 28 1HB ARG 28 3.143 -18.591 0.303
220 HG2 ARG 28 2HG ARG 28 2.775 -19.313 -2.052
221 HG3 ARG 28 1HG ARG 28 4.503 -19.641 -2.164
222 HD2 ARG 28 2HD ARG 28 3.233 -21.674 -1.681
223 HD3 ARG 28 1HD ARG 28 4.338 -21.270 -0.366
224 HE ARG 28 HE ARG 28 1.757 -20.158 0.027
225 HH11 ARG 28 1HH1 ARG 28 3.496 -23.236 0.276
226 HH12 ARG 28 2HH1 ARG 28 2.559 -23.811 1.569
227 HH21 ARG 28 1HH2 ARG 28 0.476 -20.975 1.790
228 HH22 ARG 28 2HH2 ARG 28 0.815 -22.520 2.442
229 H ASN 29 H ASN 29 6.523 -16.574 -0.496
230 HA ASN 29 HA ASN 29 8.437 -16.293 -1.632
231 HB2 ASN 29 2HB ASN 29 7.062 -17.881 -3.794
232 HB3 ASN 29 1HB ASN 29 8.783 -17.495 -3.798
233 HD21 ASN 29 1HD2 ASN 29 10.109 -18.572 -2.267
234 HD22 ASN 29 2HD2 ASN 29 9.602 -20.032 -1.505
235 H LEU 30 H LEU 30 5.795 -14.769 -2.256
236 HA LEU 30 HA LEU 30 7.036 -12.888 -4.042
237 HB2 LEU 30 2HB LEU 30 5.761 -14.363 -5.545
238 HB3 LEU 30 1HB LEU 30 4.319 -14.090 -4.592
239 HG LEU 30 HG LEU 30 4.375 -11.699 -5.248
240 HD11 LEU 30 1HD1 LEU 30 6.752 -11.448 -5.669
241 HD12 LEU 30 2HD1 LEU 30 5.819 -10.999 -7.096
242 HD13 LEU 30 3HD1 LEU 30 6.643 -12.557 -7.036
243 HD21 LEU 30 3HD2 LEU 30 3.664 -12.054 -7.564
244 HD22 LEU 30 1HD2 LEU 30 3.003 -13.282 -6.485
245 HD23 LEU 30 2HD2 LEU 30 4.370 -13.670 -7.530
246 H LYS 31 H LYS 31 7.135 -11.602 -2.233
247 HA LYS 31 HA LYS 31 4.610 -10.982 -0.993
248 HB2 LYS 31 2HB LYS 31 5.952 -9.553 0.597
249 HB3 LYS 31 1HB LYS 31 6.306 -11.268 0.648
250 HG2 LYS 31 2HG LYS 31 8.347 -10.906 -0.624
251 HG3 LYS 31 1HG LYS 31 7.968 -9.189 -0.767
252 HD2 LYS 31 2HD LYS 31 9.595 -9.520 1.002
253 HD3 LYS 31 1HD LYS 31 8.062 -8.993 1.691
254 HE2 LYS 31 2HE LYS 31 9.016 -10.764 3.044
255 HE3 LYS 31 1HE LYS 31 7.539 -11.336 2.280
256 HZ1 LYS 31 3HZ LYS 31 9.243 -13.019 2.109
257 HZ2 LYS 31 1HZ LYS 31 10.323 -11.932 1.437
258 HZ3 LYS 31 2HZ LYS 31 8.997 -12.405 0.560
259 H LEU 32 H LEU 32 3.631 -10.081 -2.663
260 HA LEU 32 HA LEU 32 4.778 -7.783 -3.833
261 HB2 LEU 32 2HB LEU 32 2.462 -7.617 -5.011
262 HB3 LEU 32 1HB LEU 32 3.580 -8.876 -5.455
263 HG LEU 32 HG LEU 32 2.213 -10.434 -3.962
264 HD11 LEU 32 1HD1 LEU 32 -0.111 -9.854 -3.557
265 HD12 LEU 32 2HD1 LEU 32 0.195 -8.214 -4.129
266 HD13 LEU 32 3HD1 LEU 32 0.988 -8.800 -2.667
267 HD21 LEU 32 3HD2 LEU 32 0.923 -9.239 -6.401
268 HD22 LEU 32 1HD2 LEU 32 0.531 -10.805 -5.692
269 HD23 LEU 32 2HD2 LEU 32 2.133 -10.522 -6.374
270 H ILE 33 H ILE 33 4.975 -6.065 -2.870
271 HA ILE 33 HA ILE 33 2.983 -5.284 -0.913
272 HB ILE 33 HB ILE 33 5.319 -5.389 -0.094
273 HG12 ILE 33 2HG1 ILE 33 5.524 -3.092 0.850
274 HG13 ILE 33 1HG1 ILE 33 4.226 -2.585 -0.225
275 HG21 ILE 33 1HG2 ILE 33 5.915 -3.266 -2.113
276 HG22 ILE 33 2HG2 ILE 33 6.558 -4.917 -2.083
277 HG23 ILE 33 3HG2 ILE 33 6.998 -3.764 -0.815
278 HD11 ILE 33 3HD1 ILE 33 2.706 -4.097 0.854
279 HD12 ILE 33 1HD1 ILE 33 3.446 -3.024 2.034
280 HD13 ILE 33 2HD1 ILE 33 3.994 -4.701 1.900
281 H LEU 34 H LEU 34 1.657 -3.688 -1.333
282 HA LEU 34 HA LEU 34 2.223 -1.980 -3.656
283 HB2 LEU 34 2HB LEU 34 -0.442 -2.842 -2.573
284 HB3 LEU 34 1HB LEU 34 -0.191 -1.774 -3.949
285 HG LEU 34 HG LEU 34 0.614 -4.666 -3.805
286 HD11 LEU 34 1HD1 LEU 34 -1.688 -3.364 -5.247
287 HD12 LEU 34 2HD1 LEU 34 -1.800 -4.438 -3.853
288 HD13 LEU 34 3HD1 LEU 34 -1.212 -5.055 -5.398
289 HD21 LEU 34 3HD2 LEU 34 0.639 -2.733 -6.116
290 HD22 LEU 34 1HD2 LEU 34 0.995 -4.456 -6.221
291 HD23 LEU 34 2HD2 LEU 34 2.053 -3.395 -5.294
292 H GLN 35 H GLN 35 3.323 -0.535 -2.382
293 HA GLN 35 HA GLN 35 1.552 1.126 -0.777
294 HB2 GLN 35 2HB GLN 35 4.404 0.399 -0.137
295 HB3 GLN 35 1HB GLN 35 3.530 1.708 0.644
296 HG2 GLN 35 2HG GLN 35 1.872 0.090 1.434
297 HG3 GLN 35 1HG GLN 35 2.823 -1.203 0.702
298 HE21 GLN 35 1HE2 GLN 35 5.358 0.083 1.458
299 HE22 GLN 35 2HE2 GLN 35 5.492 -0.164 3.164
300 H GLY 36 H GLY 36 1.332 2.932 -1.723
301 HA2 GLY 36 2HA GLY 36 3.648 4.225 -2.912
302 HA3 GLY 36 1HA GLY 36 2.219 3.955 -3.901
303 H CYS 37 H CYS 37 2.714 6.419 -3.750
304 HA CYS 37 HA CYS 37 0.885 7.372 -1.694
305 HB2 CYS 37 2HB CYS 37 3.095 8.904 -3.114
306 HB3 CYS 37 1HB CYS 37 1.902 9.606 -2.033
307 H SER 38 H SER 38 -0.857 8.503 -2.354
308 HA SER 38 HA SER 38 -1.195 8.649 -5.257
309 HB2 SER 38 2HB SER 38 -2.143 6.517 -4.313
310 HB3 SER 38 1HB SER 38 -3.248 7.496 -3.354
311 HG SER 38 HG SER 38 -4.459 7.562 -4.988
312 H SER 39 H SER 39 -2.861 10.095 -5.912
313 HA SER 39 HA SER 39 -3.048 12.422 -4.229
314 HB2 SER 39 2HB SER 39 -2.483 12.507 -6.661
315 HB3 SER 39 1HB SER 39 -4.094 11.888 -7.021
316 HG SER 39 HG SER 39 -3.628 14.234 -5.530
317 H SER 40 H SER 40 -5.188 10.113 -5.845
318 HA SER 40 HA SER 40 -7.377 10.941 -4.094
319 HB2 SER 40 2HB SER 40 -7.421 9.320 -6.660
320 HB3 SER 40 1HB SER 40 -8.835 9.837 -5.741
321 HG SER 40 HG SER 40 -7.218 11.240 -7.471
322 H CYS 41 H CYS 41 -8.661 9.129 -3.167
323 HA CYS 41 HA CYS 41 -7.354 6.561 -3.146
324 HB2 CYS 41 2HB CYS 41 -6.184 7.673 -1.355
325 HB3 CYS 41 1HB CYS 41 -7.700 8.246 -0.666
326 H SER 42 H SER 42 -8.735 4.922 -2.594
327 HA SER 42 HA SER 42 -11.431 5.654 -1.710
328 HB2 SER 42 2HB SER 42 -10.600 3.167 -3.221
329 HB3 SER 42 1HB SER 42 -12.244 3.713 -2.867
330 HG SER 42 HG SER 42 -11.231 5.709 -4.082
331 H GLU 43 H GLU 43 -10.903 5.541 0.470
332 HA GLU 43 HA GLU 43 -9.348 3.537 1.646
333 HB2 GLU 43 2HB GLU 43 -11.513 5.126 3.027
334 HB3 GLU 43 1HB GLU 43 -10.204 4.255 3.807
335 HG2 GLU 43 2HG GLU 43 -9.333 6.336 3.879
336 HG3 GLU 43 1HG GLU 43 -8.748 5.834 2.291
337 H THR 44 H THR 44 -9.708 1.542 1.667
338 HA THR 44 HA THR 44 -12.348 0.457 2.279
339 HB THR 44 HB THR 44 -11.788 -1.299 0.478
340 HG1 THR 44 1HG THR 44 -10.198 0.834 -0.484
341 HG21 THR 44 3HG2 THR 44 -13.595 0.336 0.166
342 HG22 THR 44 1HG2 THR 44 -12.743 0.051 -1.353
343 HG23 THR 44 2HG2 THR 44 -12.425 1.517 -0.425
344 H GLU 45 H GLU 45 -11.778 -2.186 2.297
345 HA GLU 45 HA GLU 45 -9.733 -2.483 4.278
346 HB2 GLU 45 2HB GLU 45 -11.851 -3.841 4.212
347 HB3 GLU 45 1HB GLU 45 -11.252 -4.608 2.753
348 HG2 GLU 45 2HG GLU 45 -9.354 -5.492 3.979
349 HG3 GLU 45 1HG GLU 45 -9.950 -4.731 5.455
350 H ASN 46 H ASN 46 -10.199 -3.004 0.918
351 HA ASN 46 HA ASN 46 -7.851 -4.422 0.278
352 HB2 ASN 46 2HB ASN 46 -9.727 -4.349 -1.249
353 HB3 ASN 46 1HB ASN 46 -9.604 -2.597 -1.370
354 HD21 ASN 46 1HD2 ASN 46 -8.269 -5.645 -2.366
355 HD22 ASN 46 2HD2 ASN 46 -7.272 -5.007 -3.621
356 H ASN 47 H ASN 47 -8.659 -0.969 -0.109
357 HA ASN 47 HA ASN 47 -5.789 -0.455 -0.204
358 HB2 ASN 47 2HB ASN 47 -6.906 0.090 -2.260
359 HB3 ASN 47 1HB ASN 47 -8.113 1.052 -1.406
360 HD21 ASN 47 1HD2 ASN 47 -7.562 3.022 -0.661
361 HD22 ASN 47 2HD2 ASN 47 -6.127 3.857 -1.092
362 H LYS 48 H LYS 48 -5.101 0.207 1.615
363 HA LYS 48 HA LYS 48 -6.825 1.730 3.433
364 HB2 LYS 48 2HB LYS 48 -4.149 0.412 3.925
365 HB3 LYS 48 1HB LYS 48 -5.231 1.068 5.141
366 HG2 LYS 48 2HG LYS 48 -6.849 -0.660 4.704
367 HG3 LYS 48 1HG LYS 48 -5.889 -1.264 3.353
368 HD2 LYS 48 2HD LYS 48 -4.052 -1.755 4.935
369 HD3 LYS 48 1HD LYS 48 -5.090 -1.244 6.263
370 HE2 LYS 48 2HE LYS 48 -5.709 -3.507 4.357
371 HE3 LYS 48 1HE LYS 48 -5.008 -3.723 5.952
372 HZ1 LYS 48 3HZ LYS 48 -7.367 -4.117 5.929
373 HZ2 LYS 48 1HZ LYS 48 -7.675 -2.542 5.407
374 HZ3 LYS 48 2HZ LYS 48 -6.995 -2.816 6.924
375 H CYS 49 H CYS 49 -6.453 3.902 3.467
376 HA CYS 49 HA CYS 49 -3.784 4.829 2.646
377 HB2 CYS 49 2HB CYS 49 -6.430 6.223 2.384
378 HB3 CYS 49 1HB CYS 49 -4.883 7.016 2.141
379 H CYS 50 H CYS 50 -2.742 6.320 3.802
380 HA CYS 50 HA CYS 50 -4.009 7.402 6.173
381 HB2 CYS 50 2HB CYS 50 -1.869 6.893 7.390
382 HB3 CYS 50 1HB CYS 50 -2.804 5.461 6.962
383 H SER 51 H SER 51 -2.926 9.369 6.816
384 HA SER 51 HA SER 51 -1.112 10.424 4.801
385 HB2 SER 51 2HB SER 51 -3.451 11.898 6.060
386 HB3 SER 51 1HB SER 51 -2.279 12.610 4.935
387 HG SER 51 HG SER 51 -3.146 11.536 3.345
388 H THR 52 H THR 52 0.371 9.553 6.504
389 HA THR 52 HA THR 52 1.190 11.750 8.175
390 HB THR 52 HB THR 52 1.050 8.964 9.345
391 HG1 THR 52 1HG THR 52 -0.953 10.689 8.947
392 HG21 THR 52 3HG2 THR 52 1.355 10.133 11.493
393 HG22 THR 52 1HG2 THR 52 1.387 11.677 10.642
394 HG23 THR 52 2HG2 THR 52 2.668 10.496 10.374
395 H ASP 53 H ASP 53 3.442 11.458 8.737
396 HA ASP 53 HA ASP 53 4.963 10.496 6.545
397 HB2 ASP 53 2HB ASP 53 5.938 11.265 9.298
398 HB3 ASP 53 1HB ASP 53 6.954 11.005 7.892
399 H ARG 54 H ARG 54 5.724 8.625 6.138
400 HA ARG 54 HA ARG 54 6.286 6.482 6.206
401 HB2 ARG 54 2HB ARG 54 6.975 7.094 9.083
402 HB3 ARG 54 1HB ARG 54 7.313 5.548 8.334
403 HG2 ARG 54 2HG ARG 54 8.744 6.792 6.726
404 HG3 ARG 54 1HG ARG 54 8.483 8.229 7.731
405 HD2 ARG 54 2HD ARG 54 9.278 6.983 9.691
406 HD3 ARG 54 1HD ARG 54 9.602 5.592 8.660
407 HE ARG 54 HE ARG 54 10.855 8.150 8.147
408 HH11 ARG 54 1HH1 ARG 54 11.175 4.741 9.102
409 HH12 ARG 54 2HH1 ARG 54 12.862 4.695 8.956
410 HH21 ARG 54 1HH2 ARG 54 13.248 8.075 7.985
411 HH22 ARG 54 2HH2 ARG 54 14.051 6.611 8.328
412 H CYS 55 H CYS 55 3.449 7.207 6.931
413 HA CYS 55 HA CYS 55 2.674 5.362 8.943
414 HB2 CYS 55 2HB CYS 55 0.376 5.847 8.262
415 HB3 CYS 55 1HB CYS 55 1.330 7.319 8.413
416 H ASN 56 H ASN 56 3.167 5.045 5.506
417 HA ASN 56 HA ASN 56 1.811 2.512 5.556
418 HB2 ASN 56 2HB ASN 56 2.023 2.427 3.121
419 HB3 ASN 56 1HB ASN 56 1.350 3.968 3.615
420 HD21 ASN 56 1HD2 ASN 56 2.515 3.386 1.156
421 HD22 ASN 56 2HD2 ASN 56 3.936 4.347 0.950
422 H LYS 57 H LYS 57 3.335 1.779 7.076
423 HA LYS 57 HA LYS 57 5.668 0.606 5.779
424 HB2 LYS 57 2HB LYS 57 6.828 0.636 7.945
425 HB3 LYS 57 1HB LYS 57 6.449 2.255 7.391
426 HG2 LYS 57 2HG LYS 57 4.523 2.294 8.940
427 HG3 LYS 57 1HG LYS 57 5.004 0.704 9.535
428 HD2 LYS 57 2HD LYS 57 6.671 3.217 9.646
429 HD3 LYS 57 1HD LYS 57 5.797 2.512 11.004
430 HE2 LYS 57 2HE LYS 57 7.196 0.482 10.811
431 HE3 LYS 57 1HE LYS 57 8.072 1.232 9.480
432 HZ1 LYS 57 3HZ LYS 57 9.296 1.491 11.517
433 HZ2 LYS 57 1HZ LYS 57 7.983 2.226 12.276
434 HZ3 LYS 57 2HZ LYS 57 8.765 2.992 11.007
Start of MODEL 16
1 H1 LEU 1 1HT LEU 1 3.639 15.348 2.448
2 H2 LEU 1 2HT LEU 1 4.371 14.738 1.042
3 H3 LEU 1 3HT LEU 1 5.326 15.285 2.322
4 HA LEU 1 HA LEU 1 4.588 13.546 3.703
5 HB2 LEU 1 2HB LEU 1 2.867 12.890 1.349
6 HB3 LEU 1 1HB LEU 1 3.358 11.651 2.479
7 HG LEU 1 HG LEU 1 1.729 14.097 3.160
8 HD11 LEU 1 2HD1 LEU 1 -0.071 12.453 3.467
9 HD12 LEU 1 3HD1 LEU 1 1.015 11.177 2.912
10 HD13 LEU 1 1HD1 LEU 1 0.523 12.454 1.803
11 HD21 LEU 1 1HD2 LEU 1 3.101 13.396 5.038
12 HD22 LEU 1 2HD2 LEU 1 2.615 11.729 4.793
13 HD23 LEU 1 3HD2 LEU 1 1.424 12.920 5.321
14 H LYS 2 H LYS 2 6.081 12.165 3.934
15 HA LYS 2 HA LYS 2 7.220 11.045 1.526
16 HB2 LYS 2 2HB LYS 2 9.231 10.462 2.919
17 HB3 LYS 2 1HB LYS 2 8.973 12.180 2.657
18 HG2 LYS 2 2HG LYS 2 8.082 12.376 4.935
19 HG3 LYS 2 1HG LYS 2 8.325 10.645 5.175
20 HD2 LYS 2 2HD LYS 2 10.163 11.891 6.176
21 HD3 LYS 2 1HD LYS 2 10.745 10.947 4.810
22 HE2 LYS 2 2HE LYS 2 10.658 12.973 3.393
23 HE3 LYS 2 1HE LYS 2 10.113 13.904 4.782
24 HZ1 LYS 2 3HZ LYS 2 12.233 13.297 5.883
25 HZ2 LYS 2 1HZ LYS 2 12.458 14.191 4.472
26 HZ3 LYS 2 2HZ LYS 2 12.724 12.556 4.439
27 H CYS 3 H CYS 3 6.598 9.092 1.082
28 HA CYS 3 HA CYS 3 5.710 7.400 3.319
29 HB2 CYS 3 2HB CYS 3 4.368 7.384 0.606
30 HB3 CYS 3 1HB CYS 3 3.786 6.700 2.124
31 H PHE 4 H PHE 4 5.644 5.030 2.656
32 HA PHE 4 HA PHE 4 8.179 4.437 1.414
33 HB2 PHE 4 2HB PHE 4 6.049 2.560 2.461
34 HB3 PHE 4 1HB PHE 4 7.680 2.114 1.994
35 HD1 PHE 4 1HD PHE 4 9.585 2.840 3.377
36 HD2 PHE 4 2HD PHE 4 5.568 3.464 4.557
37 HE1 PHE 4 1HE PHE 4 10.327 3.189 5.675
38 HE2 PHE 4 2HE PHE 4 6.290 3.814 6.863
39 HZ PHE 4 HZ PHE 4 8.678 3.667 7.443
40 H GLN 5 H GLN 5 7.816 5.000 -0.724
41 HA GLN 5 HA GLN 5 5.653 3.665 -2.146
42 HB2 GLN 5 2HB GLN 5 6.437 5.900 -2.878
43 HB3 GLN 5 1HB GLN 5 7.967 5.174 -3.346
44 HG2 GLN 5 2HG GLN 5 6.804 3.791 -5.001
45 HG3 GLN 5 1HG GLN 5 5.275 4.536 -4.545
46 HE21 GLN 5 1HE2 GLN 5 8.322 6.250 -4.803
47 HE22 GLN 5 2HE2 GLN 5 7.867 7.218 -6.147
48 H HIS 6 H HIS 6 9.100 3.223 -1.858
49 HA HIS 6 HA HIS 6 8.859 0.825 -3.564
50 HB2 HIS 6 2HB HIS 6 11.407 2.197 -2.683
51 HB3 HIS 6 1HB HIS 6 11.266 0.896 -3.856
52 HD1 HIS 6 1HD HIS 6 9.654 1.718 -6.090
53 HD2 HIS 6 2HD HIS 6 11.553 4.575 -3.759
54 HE1 HIS 6 1HE HIS 6 9.688 3.812 -7.463
55 H GLY 7 H GLY 7 8.393 1.428 -0.570
56 HA2 GLY 7 2HA GLY 7 8.504 -0.065 1.278
57 HA3 GLY 7 1HA GLY 7 9.884 -0.865 0.512
58 H LYS 8 H LYS 8 10.767 1.844 -0.224
59 HA LYS 8 HA LYS 8 12.165 2.635 2.223
60 HB2 LYS 8 2HB LYS 8 12.740 3.366 -0.665
61 HB3 LYS 8 1HB LYS 8 13.738 3.749 0.729
62 HG2 LYS 8 2HG LYS 8 14.155 1.352 1.067
63 HG3 LYS 8 1HG LYS 8 13.171 1.021 -0.361
64 HD2 LYS 8 2HD LYS 8 14.724 2.274 -1.747
65 HD3 LYS 8 1HD LYS 8 15.703 2.653 -0.330
66 HE2 LYS 8 2HE LYS 8 16.690 0.800 -1.558
67 HE3 LYS 8 1HE LYS 8 16.121 0.263 0.019
68 HZ1 LYS 8 3HZ LYS 8 14.726 -0.176 -2.580
69 HZ2 LYS 8 1HZ LYS 8 14.135 -0.660 -1.071
70 HZ3 LYS 8 2HZ LYS 8 15.526 -1.336 -1.667
71 H VAL 9 H VAL 9 12.266 4.907 2.615
72 HA VAL 9 HA VAL 9 9.757 6.213 2.233
73 HB VAL 9 HB VAL 9 12.321 7.271 3.426
74 HG11 VAL 9 1HG1 VAL 9 10.840 8.776 4.672
75 HG12 VAL 9 2HG1 VAL 9 9.465 8.156 3.752
76 HG13 VAL 9 3HG1 VAL 9 10.766 9.024 2.928
77 HG21 VAL 9 3HG2 VAL 9 11.670 5.220 4.528
78 HG22 VAL 9 1HG2 VAL 9 10.037 5.843 4.756
79 HG23 VAL 9 2HG2 VAL 9 11.392 6.604 5.587
80 H VAL 10 H VAL 10 9.255 7.546 0.600
81 HA VAL 10 HA VAL 10 11.413 8.981 -0.756
82 HB VAL 10 HB VAL 10 10.368 8.717 -2.904
83 HG11 VAL 10 1HG1 VAL 10 10.601 6.029 -1.595
84 HG12 VAL 10 2HG1 VAL 10 11.901 6.960 -2.342
85 HG13 VAL 10 3HG1 VAL 10 10.577 6.334 -3.330
86 HG21 VAL 10 3HG2 VAL 10 8.380 7.350 -3.290
87 HG22 VAL 10 1HG2 VAL 10 8.036 8.711 -2.223
88 HG23 VAL 10 2HG2 VAL 10 8.221 7.090 -1.551
89 H THR 11 H THR 11 10.767 11.011 -1.590
90 HA THR 11 HA THR 11 8.623 12.213 -0.116
91 HB THR 11 HB THR 11 10.454 13.376 -2.245
92 HG1 THR 11 1HG THR 11 11.275 12.545 -0.088
93 HG21 THR 11 3HG2 THR 11 8.681 14.752 -0.211
94 HG22 THR 11 1HG2 THR 11 8.378 14.682 -1.946
95 HG23 THR 11 2HG2 THR 11 9.779 15.557 -1.331
96 H CYS 12 H CYS 12 6.598 12.179 -0.774
97 HA CYS 12 HA CYS 12 5.793 11.266 -3.367
98 HB2 CYS 12 2HB CYS 12 4.154 12.476 -1.154
99 HB3 CYS 12 1HB CYS 12 3.599 11.418 -2.452
100 H HIS 13 H HIS 13 4.229 12.567 -4.686
101 HA HIS 13 HA HIS 13 5.391 15.117 -5.224
102 HB2 HIS 13 2HB HIS 13 4.242 13.453 -6.891
103 HB3 HIS 13 1HB HIS 13 2.753 14.232 -6.376
104 HD1 HIS 13 1HD HIS 13 2.090 16.252 -7.886
105 HD2 HIS 13 2HD HIS 13 6.191 15.437 -7.852
106 HE1 HIS 13 1HE HIS 13 3.153 17.880 -9.446
107 H ARG 14 H ARG 14 4.001 17.091 -5.459
108 HA ARG 14 HA ARG 14 3.110 17.890 -2.928
109 HB2 ARG 14 2HB ARG 14 2.823 19.147 -5.635
110 HB3 ARG 14 1HB ARG 14 2.238 19.925 -4.175
111 HG2 ARG 14 2HG ARG 14 5.103 19.083 -4.570
112 HG3 ARG 14 1HG ARG 14 4.495 20.673 -5.022
113 HD2 ARG 14 2HD ARG 14 5.506 20.862 -2.863
114 HD3 ARG 14 1HD ARG 14 3.765 20.976 -2.649
115 HE ARG 14 HE ARG 14 5.320 18.540 -2.129
116 HH11 ARG 14 1HH1 ARG 14 2.688 20.765 -1.190
117 HH12 ARG 14 2HH1 ARG 14 2.393 19.970 0.278
118 HH21 ARG 14 1HH2 ARG 14 4.833 17.470 -0.078
119 HH22 ARG 14 2HH2 ARG 14 3.598 18.097 0.915
120 H ASP 15 H ASP 15 1.375 16.329 -5.433
121 HA ASP 15 HA ASP 15 -1.218 17.355 -4.623
122 HB2 ASP 15 2HB ASP 15 -0.582 15.125 -6.560
123 HB3 ASP 15 1HB ASP 15 -2.137 15.923 -6.355
124 H MET 16 H MET 16 0.846 14.912 -3.667
125 HA MET 16 HA MET 16 -1.119 12.912 -3.152
126 HB2 MET 16 2HB MET 16 1.854 13.048 -2.774
127 HB3 MET 16 1HB MET 16 0.977 11.735 -2.040
128 HG2 MET 16 2HG MET 16 1.870 11.086 -4.120
129 HG3 MET 16 1HG MET 16 0.116 11.071 -4.168
130 HE1 MET 16 3HE MET 16 0.114 10.863 -6.628
131 HE2 MET 16 1HE MET 16 1.871 10.835 -6.686
132 HE3 MET 16 2HE MET 16 0.967 11.881 -7.809
133 H LYS 17 H LYS 17 -2.515 13.193 -1.730
134 HA LYS 17 HA LYS 17 -2.013 14.591 0.754
135 HB2 LYS 17 2HB LYS 17 -4.498 13.454 -0.490
136 HB3 LYS 17 1HB LYS 17 -4.466 14.176 1.105
137 HG2 LYS 17 2HG LYS 17 -3.754 16.301 0.113
138 HG3 LYS 17 1HG LYS 17 -3.817 15.555 -1.491
139 HD2 LYS 17 2HD LYS 17 -6.184 15.154 -1.262
140 HD3 LYS 17 1HD LYS 17 -6.158 15.725 0.403
141 HE2 LYS 17 2HE LYS 17 -5.551 17.415 -2.035
142 HE3 LYS 17 1HE LYS 17 -7.078 17.389 -1.170
143 HZ1 LYS 17 3HZ LYS 17 -5.949 18.215 0.806
144 HZ2 LYS 17 1HZ LYS 17 -5.719 19.262 -0.487
145 HZ3 LYS 17 2HZ LYS 17 -4.476 18.245 0.001
146 H PHE 18 H PHE 18 -2.199 11.322 -0.351
147 HA PHE 18 HA PHE 18 -2.234 10.441 2.455
148 HB2 PHE 18 2HB PHE 18 -3.706 9.070 0.211
149 HB3 PHE 18 1HB PHE 18 -3.626 8.557 1.883
150 HD1 PHE 18 1HD PHE 18 -4.953 9.739 3.608
151 HD2 PHE 18 2HD PHE 18 -5.146 10.806 -0.513
152 HE1 PHE 18 1HE PHE 18 -7.077 10.877 4.001
153 HE2 PHE 18 2HE PHE 18 -7.264 11.971 -0.118
154 HZ PHE 18 HZ PHE 18 -8.246 12.006 2.141
155 H CYS 19 H CYS 19 -1.049 8.615 2.836
156 HA CYS 19 HA CYS 19 0.644 7.604 0.684
157 HB2 CYS 19 2HB CYS 19 0.547 6.734 3.588
158 HB3 CYS 19 1HB CYS 19 1.813 6.466 2.394
159 H TYR 20 H TYR 20 0.011 5.591 -0.237
160 HA TYR 20 HA TYR 20 -2.195 4.310 1.184
161 HB2 TYR 20 2HB TYR 20 -3.061 3.373 -0.863
162 HB3 TYR 20 1HB TYR 20 -2.879 5.099 -1.079
163 HD1 TYR 20 2HD TYR 20 -1.629 1.760 -2.115
164 HD2 TYR 20 1HD TYR 20 -1.342 5.955 -2.708
165 HE1 TYR 20 2HE TYR 20 -0.455 1.362 -4.220
166 HE2 TYR 20 1HE TYR 20 -0.184 5.579 -4.836
167 HH TYR 20 HH TYR 20 -0.143 2.671 -6.396
168 H HIS 21 H HIS 21 -2.248 2.181 1.411
169 HA HIS 21 HA HIS 21 0.167 0.722 0.680
170 HB2 HIS 21 2HB HIS 21 0.285 1.326 3.098
171 HB3 HIS 21 1HB HIS 21 -1.248 0.499 3.366
172 HD1 HIS 21 1HD HIS 21 0.506 -0.813 5.134
173 HD2 HIS 21 2HD HIS 21 0.894 -1.555 1.071
174 HE1 HIS 21 1HE HIS 21 1.840 -2.920 4.938
175 H ASN 22 H ASN 22 -0.640 -0.480 -0.856
176 HA ASN 22 HA ASN 22 -3.215 -1.767 -0.448
177 HB2 ASN 22 2HB ASN 22 -3.007 -0.517 -2.539
178 HB3 ASN 22 1HB ASN 22 -1.524 -1.330 -2.949
179 HD21 ASN 22 1HD2 ASN 22 -2.450 -4.064 -2.448
180 HD22 ASN 22 2HD2 ASN 22 -3.668 -4.408 -3.599
181 H THR 23 H THR 23 -2.995 -3.455 0.605
182 HA THR 23 HA THR 23 -0.513 -4.845 0.845
183 HB THR 23 HB THR 23 -1.814 -6.266 2.448
184 HG1 THR 23 1HG THR 23 -3.899 -4.379 1.900
185 HG21 THR 23 3HG2 THR 23 -2.120 -4.482 4.116
186 HG22 THR 23 1HG2 THR 23 -2.033 -3.277 2.833
187 HG23 THR 23 2HG2 THR 23 -0.616 -4.259 3.216
188 H GLY 24 H GLY 24 -0.541 -7.299 0.839
189 HA2 GLY 24 2HA GLY 24 -2.384 -8.527 -0.961
190 HA3 GLY 24 1HA GLY 24 -0.702 -8.469 -1.503
191 H MET 25 H MET 25 -1.688 -10.897 -1.123
192 HA MET 25 HA MET 25 -1.118 -11.738 1.583
193 HB2 MET 25 2HB MET 25 -1.843 -13.334 -0.883
194 HB3 MET 25 1HB MET 25 -1.570 -14.035 0.704
195 HG2 MET 25 2HG MET 25 -3.443 -12.737 1.591
196 HG3 MET 25 1HG MET 25 -3.706 -12.052 -0.011
197 HE1 MET 25 3HE MET 25 -4.327 -16.509 1.021
198 HE2 MET 25 1HE MET 25 -3.800 -15.299 2.188
199 HE3 MET 25 2HE MET 25 -2.724 -15.797 0.879
200 HA PRO 26 HA PRO 26 3.111 -12.699 0.779
201 HB2 PRO 26 2HB PRO 26 3.549 -14.632 2.630
202 HB3 PRO 26 1HB PRO 26 3.380 -12.927 3.062
203 HG2 PRO 26 2HG PRO 26 1.357 -15.125 3.219
204 HG3 PRO 26 1HG PRO 26 1.696 -13.833 4.384
205 HD2 PRO 26 2HD PRO 26 -0.382 -13.744 2.636
206 HD3 PRO 26 1HD PRO 26 0.451 -12.291 3.221
207 H PHE 27 H PHE 27 3.512 -13.671 -1.065
208 HA PHE 27 HA PHE 27 2.818 -16.481 -1.398
209 HB2 PHE 27 2HB PHE 27 3.166 -14.328 -3.503
210 HB3 PHE 27 1HB PHE 27 2.899 -16.031 -3.855
211 HD1 PHE 27 2HD PHE 27 0.719 -16.907 -2.349
212 HD2 PHE 27 1HD PHE 27 1.368 -13.003 -3.911
213 HE1 PHE 27 2HE PHE 27 -1.706 -16.492 -2.312
214 HE2 PHE 27 1HE PHE 27 -1.053 -12.581 -3.877
215 HZ PHE 27 HZ PHE 27 -2.598 -14.331 -3.077
216 H ARG 28 H ARG 28 4.407 -17.802 -2.238
217 HA ARG 28 HA ARG 28 7.003 -17.610 -1.357
218 HB2 ARG 28 2HB ARG 28 5.982 -18.985 -3.832
219 HB3 ARG 28 1HB ARG 28 7.587 -19.231 -3.171
220 HG2 ARG 28 2HG ARG 28 6.696 -20.239 -1.204
221 HG3 ARG 28 1HG ARG 28 5.048 -19.800 -1.657
222 HD2 ARG 28 2HD ARG 28 5.153 -21.249 -3.589
223 HD3 ARG 28 1HD ARG 28 6.843 -21.615 -3.261
224 HE ARG 28 HE ARG 28 5.783 -22.473 -1.034
225 HH11 ARG 28 1HH1 ARG 28 4.386 -22.878 -4.268
226 HH12 ARG 28 2HH1 ARG 28 3.774 -24.433 -3.950
227 HH21 ARG 28 1HH2 ARG 28 4.969 -24.572 -0.630
228 HH22 ARG 28 2HH2 ARG 28 4.091 -25.422 -1.819
229 H ASN 29 H ASN 29 8.304 -15.923 -1.681
230 HA ASN 29 HA ASN 29 9.751 -14.485 -2.601
231 HB2 ASN 29 2HB ASN 29 9.274 -16.123 -5.074
232 HB3 ASN 29 1HB ASN 29 10.393 -14.760 -5.058
233 HD21 ASN 29 1HD2 ASN 29 10.915 -17.554 -5.571
234 HD22 ASN 29 2HD2 ASN 29 12.052 -18.079 -4.386
235 H LEU 30 H LEU 30 6.755 -14.117 -2.705
236 HA LEU 30 HA LEU 30 6.900 -11.717 -4.294
237 HB2 LEU 30 2HB LEU 30 5.906 -13.250 -5.815
238 HB3 LEU 30 1HB LEU 30 4.772 -13.818 -4.614
239 HG LEU 30 HG LEU 30 3.691 -11.580 -4.629
240 HD11 LEU 30 1HD1 LEU 30 4.187 -10.019 -6.448
241 HD12 LEU 30 2HD1 LEU 30 5.577 -11.008 -6.907
242 HD13 LEU 30 3HD1 LEU 30 5.540 -10.209 -5.337
243 HD21 LEU 30 3HD2 LEU 30 2.591 -11.835 -6.792
244 HD22 LEU 30 1HD2 LEU 30 2.797 -13.388 -5.986
245 HD23 LEU 30 2HD2 LEU 30 3.865 -12.939 -7.316
246 H LYS 31 H LYS 31 6.951 -10.564 -2.444
247 HA LYS 31 HA LYS 31 4.524 -10.577 -0.831
248 HB2 LYS 31 2HB LYS 31 6.913 -10.276 0.157
249 HB3 LYS 31 1HB LYS 31 6.909 -8.706 -0.623
250 HG2 LYS 31 2HG LYS 31 6.359 -8.473 1.715
251 HG3 LYS 31 1HG LYS 31 4.943 -8.073 0.738
252 HD2 LYS 31 2HD LYS 31 3.942 -10.205 1.191
253 HD3 LYS 31 1HD LYS 31 5.416 -10.795 1.955
254 HE2 LYS 31 2HE LYS 31 3.731 -10.228 3.618
255 HE3 LYS 31 1HE LYS 31 5.128 -9.166 3.757
256 HZ1 LYS 31 3HZ LYS 31 2.591 -8.473 2.389
257 HZ2 LYS 31 1HZ LYS 31 3.868 -7.403 2.681
258 HZ3 LYS 31 2HZ LYS 31 2.953 -8.063 3.945
259 H LEU 32 H LEU 32 2.931 -9.498 -1.851
260 HA LEU 32 HA LEU 32 3.554 -7.841 -4.093
261 HB2 LEU 32 2HB LEU 32 1.598 -9.285 -4.101
262 HB3 LEU 32 1HB LEU 32 0.929 -8.425 -2.730
263 HG LEU 32 HG LEU 32 0.746 -6.392 -4.156
264 HD11 LEU 32 1HD1 LEU 32 0.914 -6.632 -6.584
265 HD12 LEU 32 2HD1 LEU 32 1.540 -8.269 -6.377
266 HD13 LEU 32 3HD1 LEU 32 2.468 -6.888 -5.790
267 HD21 LEU 32 3HD2 LEU 32 -0.665 -8.842 -5.193
268 HD22 LEU 32 1HD2 LEU 32 -1.181 -7.172 -5.418
269 HD23 LEU 32 2HD2 LEU 32 -1.154 -7.876 -3.801
270 H ILE 33 H ILE 33 4.342 -5.951 -3.790
271 HA ILE 33 HA ILE 33 3.348 -4.338 -1.594
272 HB ILE 33 HB ILE 33 6.088 -4.500 -2.816
273 HG12 ILE 33 2HG1 ILE 33 5.672 -6.023 -1.007
274 HG13 ILE 33 1HG1 ILE 33 6.748 -4.753 -0.431
275 HG21 ILE 33 1HG2 ILE 33 5.586 -2.112 -2.707
276 HG22 ILE 33 2HG2 ILE 33 6.806 -2.563 -1.517
277 HG23 ILE 33 3HG2 ILE 33 5.144 -2.277 -1.007
278 HD11 ILE 33 3HD1 ILE 33 3.791 -5.024 0.151
279 HD12 ILE 33 1HD1 ILE 33 4.775 -3.630 0.591
280 HD13 ILE 33 2HD1 ILE 33 5.133 -5.216 1.267
281 H LEU 34 H LEU 34 1.885 -3.124 -2.231
282 HA LEU 34 HA LEU 34 2.509 -1.307 -4.407
283 HB2 LEU 34 2HB LEU 34 -0.160 -2.451 -3.619
284 HB3 LEU 34 1HB LEU 34 0.018 -1.124 -4.768
285 HG LEU 34 HG LEU 34 1.010 -3.951 -5.083
286 HD11 LEU 34 1HD1 LEU 34 -0.709 -4.124 -6.826
287 HD12 LEU 34 2HD1 LEU 34 -1.268 -2.501 -6.414
288 HD13 LEU 34 3HD1 LEU 34 -1.406 -3.806 -5.236
289 HD21 LEU 34 3HD2 LEU 34 1.517 -3.318 -7.398
290 HD22 LEU 34 1HD2 LEU 34 2.467 -2.382 -6.245
291 HD23 LEU 34 2HD2 LEU 34 1.069 -1.653 -7.035
292 H GLN 35 H GLN 35 3.551 -0.427 -2.529
293 HA GLN 35 HA GLN 35 1.810 1.120 -0.742
294 HB2 GLN 35 2HB GLN 35 4.793 0.626 -0.713
295 HB3 GLN 35 1HB GLN 35 3.915 1.566 0.477
296 HG2 GLN 35 2HG GLN 35 2.798 -0.416 1.243
297 HG3 GLN 35 1HG GLN 35 3.567 -1.378 -0.019
298 HE21 GLN 35 1HE2 GLN 35 4.020 0.272 2.997
299 HE22 GLN 35 2HE2 GLN 35 5.578 -0.368 3.343
300 H GLY 36 H GLY 36 1.460 3.158 -1.524
301 HA2 GLY 36 2HA GLY 36 3.707 4.466 -2.853
302 HA3 GLY 36 1HA GLY 36 2.215 4.290 -3.763
303 H CYS 37 H CYS 37 2.462 6.622 -3.823
304 HA CYS 37 HA CYS 37 1.237 7.863 -1.460
305 HB2 CYS 37 2HB CYS 37 2.796 9.271 -3.642
306 HB3 CYS 37 1HB CYS 37 2.281 9.897 -2.089
307 H SER 38 H SER 38 -0.738 8.896 -1.888
308 HA SER 38 HA SER 38 -1.521 9.046 -4.703
309 HB2 SER 38 2HB SER 38 -2.436 6.958 -3.921
310 HB3 SER 38 1HB SER 38 -3.152 7.739 -2.506
311 HG SER 38 HG SER 38 -4.748 8.267 -3.660
312 H SER 39 H SER 39 -3.169 10.545 -5.166
313 HA SER 39 HA SER 39 -3.210 12.791 -3.361
314 HB2 SER 39 2HB SER 39 -2.878 13.060 -5.838
315 HB3 SER 39 1HB SER 39 -4.519 12.488 -6.095
316 HG SER 39 HG SER 39 -3.683 14.757 -4.642
317 H SER 40 H SER 40 -5.369 10.285 -4.554
318 HA SER 40 HA SER 40 -7.430 11.241 -2.704
319 HB2 SER 40 2HB SER 40 -8.987 9.926 -4.185
320 HB3 SER 40 1HB SER 40 -8.219 11.296 -4.992
321 HG SER 40 HG SER 40 -7.479 9.937 -6.368
322 H CYS 41 H CYS 41 -8.897 8.999 -2.284
323 HA CYS 41 HA CYS 41 -6.996 6.889 -1.661
324 HB2 CYS 41 2HB CYS 41 -7.163 7.996 0.424
325 HB3 CYS 41 1HB CYS 41 -8.909 8.168 0.278
326 H SER 42 H SER 42 -7.664 4.966 -2.237
327 HA SER 42 HA SER 42 -10.450 4.549 -2.883
328 HB2 SER 42 2HB SER 42 -8.055 2.699 -3.122
329 HB3 SER 42 1HB SER 42 -9.647 2.448 -3.844
330 HG SER 42 HG SER 42 -8.556 4.871 -4.452
331 H GLU 43 H GLU 43 -11.600 4.210 -1.109
332 HA GLU 43 HA GLU 43 -10.474 3.199 1.305
333 HB2 GLU 43 2HB GLU 43 -13.300 3.897 0.580
334 HB3 GLU 43 1HB GLU 43 -12.760 3.465 2.197
335 HG2 GLU 43 2HG GLU 43 -11.233 5.359 2.168
336 HG3 GLU 43 1HG GLU 43 -11.827 5.804 0.578
337 H THR 44 H THR 44 -9.920 1.151 1.256
338 HA THR 44 HA THR 44 -12.043 -0.807 1.272
339 HB THR 44 HB THR 44 -10.495 -2.428 0.106
340 HG1 THR 44 1HG THR 44 -9.077 -0.657 -1.297
341 HG21 THR 44 3HG2 THR 44 -12.335 -1.461 -1.183
342 HG22 THR 44 1HG2 THR 44 -10.915 -1.674 -2.207
343 HG23 THR 44 2HG2 THR 44 -11.330 -0.072 -1.596
344 H GLU 45 H GLU 45 -10.870 -2.928 2.249
345 HA GLU 45 HA GLU 45 -9.224 -1.926 4.422
346 HB2 GLU 45 2HB GLU 45 -9.506 -4.126 5.446
347 HB3 GLU 45 1HB GLU 45 -11.042 -3.350 5.076
348 HG2 GLU 45 2HG GLU 45 -11.336 -4.812 3.170
349 HG3 GLU 45 1HG GLU 45 -9.752 -5.538 3.458
350 H ASN 46 H ASN 46 -8.944 -3.511 1.525
351 HA ASN 46 HA ASN 46 -6.412 -4.770 1.978
352 HB2 ASN 46 2HB ASN 46 -7.833 -5.641 0.225
353 HB3 ASN 46 1HB ASN 46 -7.871 -4.074 -0.579
354 HD21 ASN 46 1HD2 ASN 46 -5.989 -6.909 0.082
355 HD22 ASN 46 2HD2 ASN 46 -4.760 -6.598 -1.093
356 H ASN 47 H ASN 47 -7.511 -1.657 0.717
357 HA ASN 47 HA ASN 47 -4.719 -0.857 0.548
358 HB2 ASN 47 2HB ASN 47 -5.735 -0.753 -1.630
359 HB3 ASN 47 1HB ASN 47 -7.123 0.119 -0.989
360 HD21 ASN 47 1HD2 ASN 47 -6.964 2.272 -0.608
361 HD22 ASN 47 2HD2 ASN 47 -5.622 3.228 -1.118
362 H LYS 48 H LYS 48 -4.188 0.148 2.226
363 HA LYS 48 HA LYS 48 -6.078 1.682 3.839
364 HB2 LYS 48 2HB LYS 48 -3.122 1.239 4.248
365 HB3 LYS 48 1HB LYS 48 -4.265 1.852 5.426
366 HG2 LYS 48 2HG LYS 48 -5.381 -0.319 5.478
367 HG3 LYS 48 1HG LYS 48 -4.225 -0.934 4.289
368 HD2 LYS 48 2HD LYS 48 -2.399 -0.408 5.841
369 HD3 LYS 48 1HD LYS 48 -3.582 0.114 7.039
370 HE2 LYS 48 2HE LYS 48 -4.556 -2.153 7.006
371 HE3 LYS 48 1HE LYS 48 -3.298 -2.649 5.873
372 HZ1 LYS 48 3HZ LYS 48 -2.911 -1.721 8.662
373 HZ2 LYS 48 1HZ LYS 48 -1.636 -2.033 7.610
374 HZ3 LYS 48 2HZ LYS 48 -2.671 -3.259 8.088
375 H CYS 49 H CYS 49 -5.685 3.926 4.302
376 HA CYS 49 HA CYS 49 -3.609 5.250 2.811
377 HB2 CYS 49 2HB CYS 49 -5.126 6.916 1.859
378 HB3 CYS 49 1HB CYS 49 -5.531 5.308 1.271
379 H CYS 50 H CYS 50 -2.680 6.617 4.109
380 HA CYS 50 HA CYS 50 -4.275 7.972 6.101
381 HB2 CYS 50 2HB CYS 50 -2.392 7.507 7.758
382 HB3 CYS 50 1HB CYS 50 -3.434 6.143 7.360
383 H SER 51 H SER 51 -3.152 9.896 6.896
384 HA SER 51 HA SER 51 -1.558 10.990 4.708
385 HB2 SER 51 2HB SER 51 -3.486 12.216 6.648
386 HB3 SER 51 1HB SER 51 -2.501 13.169 5.509
387 HG SER 51 HG SER 51 -3.501 12.080 3.865
388 H THR 52 H THR 52 -0.425 9.525 7.048
389 HA THR 52 HA THR 52 1.026 11.728 8.325
390 HB THR 52 HB THR 52 1.112 8.885 9.187
391 HG1 THR 52 1HG THR 52 -0.881 10.853 9.695
392 HG21 THR 52 3HG2 THR 52 1.339 11.495 10.692
393 HG22 THR 52 1HG2 THR 52 2.672 10.437 10.229
394 HG23 THR 52 2HG2 THR 52 1.485 9.895 11.418
395 H ASP 53 H ASP 53 3.258 11.549 8.343
396 HA ASP 53 HA ASP 53 4.375 10.455 5.970
397 HB2 ASP 53 2HB ASP 53 5.742 11.696 8.363
398 HB3 ASP 53 1HB ASP 53 6.611 11.135 6.940
399 H ARG 54 H ARG 54 5.117 8.600 5.555
400 HA ARG 54 HA ARG 54 5.848 6.439 5.684
401 HB2 ARG 54 2HB ARG 54 6.874 7.330 8.374
402 HB3 ARG 54 1HB ARG 54 7.320 5.828 7.575
403 HG2 ARG 54 2HG ARG 54 8.351 7.095 5.771
404 HG3 ARG 54 1HG ARG 54 7.857 8.603 6.542
405 HD2 ARG 54 2HD ARG 54 10.177 8.139 7.030
406 HD3 ARG 54 1HD ARG 54 9.216 8.026 8.504
407 HE ARG 54 HE ARG 54 9.395 5.484 7.413
408 HH11 ARG 54 1HH1 ARG 54 11.608 7.889 8.737
409 HH12 ARG 54 2HH1 ARG 54 12.720 6.765 9.367
410 HH21 ARG 54 1HH2 ARG 54 10.993 3.859 8.228
411 HH22 ARG 54 2HH2 ARG 54 12.338 4.425 9.059
412 H CYS 55 H CYS 55 3.092 7.129 6.734
413 HA CYS 55 HA CYS 55 2.814 5.061 8.743
414 HB2 CYS 55 2HB CYS 55 0.445 5.657 8.790
415 HB3 CYS 55 1HB CYS 55 1.489 7.062 8.974
416 H ASN 56 H ASN 56 2.926 5.009 5.389
417 HA ASN 56 HA ASN 56 0.844 3.021 5.074
418 HB2 ASN 56 2HB ASN 56 1.309 3.047 2.688
419 HB3 ASN 56 1HB ASN 56 1.189 4.688 3.281
420 HD21 ASN 56 1HD2 ASN 56 2.399 3.574 0.920
421 HD22 ASN 56 2HD2 ASN 56 4.064 4.007 0.894
422 H LYS 57 H LYS 57 2.759 2.204 6.820
423 HA LYS 57 HA LYS 57 4.360 0.240 5.376
424 HB2 LYS 57 2HB LYS 57 5.849 0.204 7.344
425 HB3 LYS 57 1HB LYS 57 5.706 1.809 6.643
426 HG2 LYS 57 2HG LYS 57 4.188 2.481 8.422
427 HG3 LYS 57 1HG LYS 57 4.284 0.862 9.119
428 HD2 LYS 57 2HD LYS 57 6.679 1.147 9.477
429 HD3 LYS 57 1HD LYS 57 6.607 2.751 8.753
430 HE2 LYS 57 2HE LYS 57 5.182 1.876 11.265
431 HE3 LYS 57 1HE LYS 57 6.651 2.846 11.195
432 HZ1 LYS 57 3HZ LYS 57 4.850 4.326 11.513
433 HZ2 LYS 57 1HZ LYS 57 3.923 3.624 10.300
434 HZ3 LYS 57 2HZ LYS 57 5.278 4.511 9.894
Start of MODEL 17
1 H1 LEU 1 1HT LEU 1 5.313 15.014 2.316
2 H2 LEU 1 2HT LEU 1 3.633 15.018 2.124
3 H3 LEU 1 3HT LEU 1 4.610 14.269 0.989
4 HA LEU 1 HA LEU 1 4.363 13.426 3.785
5 HB2 LEU 1 2HB LEU 1 3.003 12.556 1.293
6 HB3 LEU 1 1HB LEU 1 3.390 11.358 2.507
7 HG LEU 1 HG LEU 1 1.736 13.817 3.061
8 HD11 LEU 1 2HD1 LEU 1 0.634 12.313 1.465
9 HD12 LEU 1 3HD1 LEU 1 -0.147 12.261 3.049
10 HD13 LEU 1 1HD1 LEU 1 0.936 10.961 2.558
11 HD21 LEU 1 1HD2 LEU 1 2.886 12.923 5.001
12 HD22 LEU 1 2HD2 LEU 1 2.367 11.308 4.588
13 HD23 LEU 1 3HD2 LEU 1 1.171 12.511 5.088
14 H LYS 2 H LYS 2 5.697 11.855 4.415
15 HA LYS 2 HA LYS 2 7.612 10.983 2.399
16 HB2 LYS 2 2HB LYS 2 8.046 10.830 5.398
17 HB3 LYS 2 1HB LYS 2 9.253 10.752 4.115
18 HG2 LYS 2 2HG LYS 2 8.532 13.149 3.552
19 HG3 LYS 2 1HG LYS 2 7.709 13.053 5.114
20 HD2 LYS 2 2HD LYS 2 10.660 12.509 4.889
21 HD3 LYS 2 1HD LYS 2 10.063 14.155 4.999
22 HE2 LYS 2 2HE LYS 2 10.659 13.536 7.194
23 HE3 LYS 2 1HE LYS 2 8.908 13.442 7.140
24 HZ1 LYS 2 3HZ LYS 2 9.025 11.054 7.085
25 HZ2 LYS 2 1HZ LYS 2 9.984 11.639 8.303
26 HZ3 LYS 2 2HZ LYS 2 10.717 11.081 6.912
27 H CYS 3 H CYS 3 6.854 9.067 1.645
28 HA CYS 3 HA CYS 3 6.046 7.116 3.644
29 HB2 CYS 3 2HB CYS 3 4.403 7.811 1.194
30 HB3 CYS 3 1HB CYS 3 4.115 6.419 2.239
31 H PHE 4 H PHE 4 5.795 4.899 2.654
32 HA PHE 4 HA PHE 4 8.311 4.395 1.326
33 HB2 PHE 4 2HB PHE 4 6.210 2.427 2.267
34 HB3 PHE 4 1HB PHE 4 7.851 2.045 1.771
35 HD1 PHE 4 2HD PHE 4 9.745 2.759 3.192
36 HD2 PHE 4 1HD PHE 4 5.707 3.128 4.466
37 HE1 PHE 4 2HE PHE 4 10.497 3.003 5.513
38 HE2 PHE 4 1HE PHE 4 6.457 3.388 6.781
39 HZ PHE 4 HZ PHE 4 8.854 3.314 7.316
40 H GLN 5 H GLN 5 7.695 5.323 -0.734
41 HA GLN 5 HA GLN 5 5.625 3.907 -2.214
42 HB2 GLN 5 2HB GLN 5 5.984 6.312 -2.670
43 HB3 GLN 5 1HB GLN 5 7.602 5.941 -3.251
44 HG2 GLN 5 2HG GLN 5 6.631 4.590 -5.063
45 HG3 GLN 5 1HG GLN 5 5.020 5.014 -4.502
46 HE21 GLN 5 1HE2 GLN 5 7.704 7.263 -4.538
47 HE22 GLN 5 2HE2 GLN 5 7.100 8.266 -5.794
48 H HIS 6 H HIS 6 9.137 4.034 -2.227
49 HA HIS 6 HA HIS 6 9.123 1.805 -4.152
50 HB2 HIS 6 2HB HIS 6 11.355 3.727 -3.446
51 HB3 HIS 6 1HB HIS 6 11.530 2.360 -4.540
52 HD1 HIS 6 1HD HIS 6 9.951 2.508 -6.777
53 HD2 HIS 6 2HD HIS 6 10.470 6.006 -4.595
54 HE1 HIS 6 1HE HIS 6 9.256 4.386 -8.298
55 H GLY 7 H GLY 7 8.710 1.794 -1.223
56 HA2 GLY 7 2HA GLY 7 9.132 -0.021 0.236
57 HA3 GLY 7 1HA GLY 7 10.666 -0.295 -0.587
58 H LYS 8 H LYS 8 11.463 2.361 -0.642
59 HA LYS 8 HA LYS 8 12.249 2.733 2.128
60 HB2 LYS 8 2HB LYS 8 13.317 3.990 -0.392
61 HB3 LYS 8 1HB LYS 8 13.962 4.254 1.221
62 HG2 LYS 8 2HG LYS 8 14.463 1.812 1.340
63 HG3 LYS 8 1HG LYS 8 13.979 1.688 -0.352
64 HD2 LYS 8 2HD LYS 8 16.201 3.430 0.718
65 HD3 LYS 8 1HD LYS 8 16.408 1.882 -0.096
66 HE2 LYS 8 2HE LYS 8 15.455 2.795 -2.128
67 HE3 LYS 8 1HE LYS 8 15.136 4.326 -1.321
68 HZ1 LYS 8 3HZ LYS 8 17.473 4.655 -1.024
69 HZ2 LYS 8 1HZ LYS 8 17.149 4.395 -2.659
70 HZ3 LYS 8 2HZ LYS 8 17.836 3.162 -1.731
71 H VAL 9 H VAL 9 12.379 4.972 2.867
72 HA VAL 9 HA VAL 9 9.849 6.269 2.604
73 HB VAL 9 HB VAL 9 12.352 7.355 3.896
74 HG11 VAL 9 1HG1 VAL 9 10.797 8.611 5.323
75 HG12 VAL 9 2HG1 VAL 9 9.445 7.959 4.397
76 HG13 VAL 9 3HG1 VAL 9 10.622 9.011 3.614
77 HG21 VAL 9 3HG2 VAL 9 11.574 6.387 5.996
78 HG22 VAL 9 1HG2 VAL 9 11.904 5.142 4.796
79 HG23 VAL 9 2HG2 VAL 9 10.239 5.607 5.146
80 H VAL 10 H VAL 10 9.376 7.499 0.882
81 HA VAL 10 HA VAL 10 11.437 9.320 -0.092
82 HB VAL 10 HB VAL 10 10.593 9.119 -2.380
83 HG11 VAL 10 1HG1 VAL 10 11.340 6.894 -2.969
84 HG12 VAL 10 2HG1 VAL 10 11.274 6.412 -1.273
85 HG13 VAL 10 3HG1 VAL 10 12.419 7.652 -1.796
86 HG21 VAL 10 3HG2 VAL 10 8.768 6.956 -1.352
87 HG22 VAL 10 1HG2 VAL 10 8.998 7.411 -3.041
88 HG23 VAL 10 2HG2 VAL 10 8.274 8.557 -1.908
89 H THR 11 H THR 11 10.597 11.326 -0.848
90 HA THR 11 HA THR 11 8.213 12.033 0.554
91 HB THR 11 HB THR 11 9.925 13.752 -1.279
92 HG1 THR 11 1HG THR 11 10.521 12.691 1.043
93 HG21 THR 11 3HG2 THR 11 8.899 15.636 -0.071
94 HG22 THR 11 1HG2 THR 11 7.935 14.506 0.880
95 HG23 THR 11 2HG2 THR 11 7.659 14.656 -0.853
96 H CYS 12 H CYS 12 6.304 11.867 -0.267
97 HA CYS 12 HA CYS 12 5.818 11.459 -3.097
98 HB2 CYS 12 2HB CYS 12 3.944 11.504 -0.721
99 HB3 CYS 12 1HB CYS 12 3.527 10.987 -2.354
100 H HIS 13 H HIS 13 4.769 12.908 -4.384
101 HA HIS 13 HA HIS 13 5.479 15.575 -3.845
102 HB2 HIS 13 2HB HIS 13 5.314 14.431 -6.136
103 HB3 HIS 13 1HB HIS 13 3.587 14.742 -6.046
104 HD1 HIS 13 1HD HIS 13 2.963 16.884 -7.351
105 HD2 HIS 13 2HD HIS 13 6.773 17.062 -5.650
106 HE1 HIS 13 1HE HIS 13 3.917 19.078 -8.012
107 H ARG 14 H ARG 14 3.985 17.431 -4.127
108 HA ARG 14 HA ARG 14 2.186 17.447 -1.979
109 HB2 ARG 14 2HB ARG 14 2.599 19.502 -4.140
110 HB3 ARG 14 1HB ARG 14 1.667 19.765 -2.673
111 HG2 ARG 14 2HG ARG 14 3.692 19.354 -1.336
112 HG3 ARG 14 1HG ARG 14 4.605 19.131 -2.827
113 HD2 ARG 14 2HD ARG 14 4.938 21.374 -1.989
114 HD3 ARG 14 1HD ARG 14 4.036 21.417 -3.500
115 HE ARG 14 HE ARG 14 2.244 21.366 -1.352
116 HH11 ARG 14 1HH1 ARG 14 4.533 23.566 -2.915
117 HH12 ARG 14 2HH1 ARG 14 3.749 24.992 -2.423
118 HH21 ARG 14 1HH2 ARG 14 1.114 23.334 -0.720
119 HH22 ARG 14 2HH2 ARG 14 1.749 24.856 -1.131
120 H ASP 15 H ASP 15 1.647 16.443 -5.143
121 HA ASP 15 HA ASP 15 -1.181 17.052 -5.237
122 HB2 ASP 15 2HB ASP 15 0.449 15.048 -6.830
123 HB3 ASP 15 1HB ASP 15 -1.241 15.416 -7.123
124 H MET 16 H MET 16 0.845 14.754 -3.828
125 HA MET 16 HA MET 16 -1.228 12.749 -3.574
126 HB2 MET 16 2HB MET 16 1.754 12.711 -3.283
127 HB3 MET 16 1HB MET 16 0.826 11.403 -2.599
128 HG2 MET 16 2HG MET 16 1.559 10.726 -4.694
129 HG3 MET 16 1HG MET 16 -0.170 11.020 -4.785
130 HE1 MET 16 3HE MET 16 -0.415 11.186 -7.213
131 HE2 MET 16 1HE MET 16 1.248 10.603 -7.318
132 HE3 MET 16 2HE MET 16 0.718 11.963 -8.339
133 H LYS 17 H LYS 17 -2.529 13.205 -1.994
134 HA LYS 17 HA LYS 17 -1.482 14.277 0.504
135 HB2 LYS 17 2HB LYS 17 -4.295 13.920 -0.500
136 HB3 LYS 17 1HB LYS 17 -3.934 14.394 1.146
137 HG2 LYS 17 2HG LYS 17 -4.529 16.344 -0.068
138 HG3 LYS 17 1HG LYS 17 -2.793 16.422 0.208
139 HD2 LYS 17 2HD LYS 17 -2.358 15.734 -2.052
140 HD3 LYS 17 1HD LYS 17 -4.071 15.447 -2.342
141 HE2 LYS 17 2HE LYS 17 -2.784 18.108 -1.734
142 HE3 LYS 17 1HE LYS 17 -3.352 17.567 -3.314
143 HZ1 LYS 17 3HZ LYS 17 -4.991 18.997 -2.306
144 HZ2 LYS 17 1HZ LYS 17 -5.038 18.057 -0.913
145 HZ3 LYS 17 2HZ LYS 17 -5.608 17.445 -2.377
146 H PHE 18 H PHE 18 -2.329 11.271 -0.832
147 HA PHE 18 HA PHE 18 -2.605 10.197 1.883
148 HB2 PHE 18 2HB PHE 18 -4.195 9.296 -0.520
149 HB3 PHE 18 1HB PHE 18 -4.293 8.631 1.103
150 HD1 PHE 18 1HD PHE 18 -5.407 9.902 2.894
151 HD2 PHE 18 2HD PHE 18 -5.263 11.352 -1.107
152 HE1 PHE 18 1HE PHE 18 -7.201 11.501 3.408
153 HE2 PHE 18 2HE PHE 18 -7.042 12.944 -0.610
154 HZ PHE 18 HZ PHE 18 -8.028 13.032 1.658
155 H CYS 19 H CYS 19 -1.282 8.590 2.258
156 HA CYS 19 HA CYS 19 0.137 7.357 0.045
157 HB2 CYS 19 2HB CYS 19 0.554 6.991 3.032
158 HB3 CYS 19 1HB CYS 19 1.621 6.508 1.707
159 H TYR 20 H TYR 20 -0.057 5.065 -0.254
160 HA TYR 20 HA TYR 20 -2.210 3.880 1.317
161 HB2 TYR 20 2HB TYR 20 -3.133 2.768 -0.673
162 HB3 TYR 20 1HB TYR 20 -3.223 4.515 -0.792
163 HD1 TYR 20 1HD TYR 20 -1.539 1.489 -2.077
164 HD2 TYR 20 2HD TYR 20 -2.061 5.681 -2.526
165 HE1 TYR 20 1HE TYR 20 -0.457 1.365 -4.257
166 HE2 TYR 20 2HE TYR 20 -0.971 5.582 -4.727
167 HH TYR 20 HH TYR 20 -0.398 2.700 -6.348
168 H HIS 21 H HIS 21 -2.243 1.709 1.513
169 HA HIS 21 HA HIS 21 0.108 0.203 0.675
170 HB2 HIS 21 2HB HIS 21 0.553 0.852 2.992
171 HB3 HIS 21 1HB HIS 21 -1.046 0.325 3.482
172 HD1 HIS 21 1HD HIS 21 -0.252 -1.438 5.180
173 HD2 HIS 21 2HD HIS 21 1.380 -1.992 1.393
174 HE1 HIS 21 1HE HIS 21 0.894 -3.666 5.226
175 H ASN 22 H ASN 22 -0.668 -1.302 -0.567
176 HA ASN 22 HA ASN 22 -3.324 -2.409 -0.390
177 HB2 ASN 22 2HB ASN 22 -2.101 -2.197 -2.509
178 HB3 ASN 22 1HB ASN 22 -0.862 -3.299 -1.971
179 HD21 ASN 22 1HD2 ASN 22 -3.308 -5.015 -0.792
180 HD22 ASN 22 2HD2 ASN 22 -3.888 -5.799 -2.205
181 H THR 23 H THR 23 -3.804 -3.755 1.239
182 HA THR 23 HA THR 23 -2.041 -5.949 1.839
183 HB THR 23 HB THR 23 -1.212 -4.121 3.303
184 HG1 THR 23 1HG THR 23 -1.848 -5.293 5.408
185 HG21 THR 23 3HG2 THR 23 -4.018 -4.112 4.430
186 HG22 THR 23 1HG2 THR 23 -3.261 -2.807 3.519
187 HG23 THR 23 2HG2 THR 23 -2.650 -3.233 5.121
188 H GLY 24 H GLY 24 -3.324 -6.844 4.070
189 HA2 GLY 24 2HA GLY 24 -5.878 -6.876 4.625
190 HA3 GLY 24 1HA GLY 24 -5.939 -7.577 3.009
191 H MET 25 H MET 25 -5.236 -9.530 2.673
192 HA MET 25 HA MET 25 -4.733 -11.222 4.999
193 HB2 MET 25 2HB MET 25 -5.344 -11.908 2.114
194 HB3 MET 25 1HB MET 25 -5.170 -13.072 3.416
195 HG2 MET 25 2HG MET 25 -7.142 -12.184 4.507
196 HG3 MET 25 1HG MET 25 -7.288 -10.948 3.264
197 HE1 MET 25 3HE MET 25 -7.864 -11.408 0.760
198 HE2 MET 25 1HE MET 25 -8.194 -13.004 0.085
199 HE3 MET 25 2HE MET 25 -6.562 -12.588 0.590
200 HA PRO 26 HA PRO 26 -0.451 -11.551 3.805
201 HB2 PRO 26 2HB PRO 26 -0.696 -14.477 4.199
202 HB3 PRO 26 1HB PRO 26 0.437 -13.344 4.942
203 HG2 PRO 26 2HG PRO 26 -1.586 -14.339 6.354
204 HG3 PRO 26 1HG PRO 26 -1.090 -12.643 6.531
205 HD2 PRO 26 2HD PRO 26 -3.423 -13.779 5.035
206 HD3 PRO 26 1HD PRO 26 -3.305 -12.307 6.034
207 H PHE 27 H PHE 27 0.309 -11.589 1.904
208 HA PHE 27 HA PHE 27 -1.099 -12.725 -0.310
209 HB2 PHE 27 2HB PHE 27 1.503 -11.165 -0.199
210 HB3 PHE 27 1HB PHE 27 0.816 -11.788 -1.681
211 HD1 PHE 27 1HD PHE 27 -1.025 -10.224 1.139
212 HD2 PHE 27 2HD PHE 27 0.377 -9.847 -2.844
213 HE1 PHE 27 1HE PHE 27 -2.313 -8.144 0.898
214 HE2 PHE 27 2HE PHE 27 -0.913 -7.774 -3.116
215 HZ PHE 27 HZ PHE 27 -2.262 -6.911 -1.245
216 H ARG 28 H ARG 28 -0.669 -14.521 -1.374
217 HA ARG 28 HA ARG 28 1.725 -16.053 -0.664
218 HB2 ARG 28 2HB ARG 28 -1.115 -17.065 -0.868
219 HB3 ARG 28 1HB ARG 28 0.299 -18.083 -0.678
220 HG2 ARG 28 2HG ARG 28 -0.498 -15.988 1.321
221 HG3 ARG 28 1HG ARG 28 -1.088 -17.647 1.404
222 HD2 ARG 28 2HD ARG 28 0.791 -17.481 2.892
223 HD3 ARG 28 1HD ARG 28 1.320 -18.382 1.484
224 HE ARG 28 HE ARG 28 1.915 -15.645 1.156
225 HH11 ARG 28 1HH1 ARG 28 2.933 -18.403 3.115
226 HH12 ARG 28 2HH1 ARG 28 4.553 -17.900 3.223
227 HH21 ARG 28 1HH2 ARG 28 4.116 -14.939 1.332
228 HH22 ARG 28 2HH2 ARG 28 5.231 -15.870 2.217
229 H ASN 29 H ASN 29 2.804 -16.430 -2.457
230 HA ASN 29 HA ASN 29 3.390 -16.897 -4.567
231 HB2 ASN 29 2HB ASN 29 0.475 -17.572 -4.912
232 HB3 ASN 29 1HB ASN 29 1.671 -17.808 -6.192
233 HD21 ASN 29 1HD2 ASN 29 3.199 -19.451 -5.932
234 HD22 ASN 29 2HD2 ASN 29 2.985 -20.713 -4.768
235 H LEU 30 H LEU 30 2.236 -14.339 -3.584
236 HA LEU 30 HA LEU 30 2.121 -13.015 -6.159
237 HB2 LEU 30 2HB LEU 30 -0.220 -13.338 -5.411
238 HB3 LEU 30 1HB LEU 30 0.166 -12.536 -3.906
239 HG LEU 30 HG LEU 30 0.703 -10.478 -5.243
240 HD11 LEU 30 1HD1 LEU 30 -0.177 -10.300 -7.494
241 HD12 LEU 30 2HD1 LEU 30 -0.654 -11.995 -7.453
242 HD13 LEU 30 3HD1 LEU 30 1.052 -11.567 -7.405
243 HD21 LEU 30 3HD2 LEU 30 -2.098 -11.574 -5.372
244 HD22 LEU 30 1HD2 LEU 30 -1.653 -9.871 -5.542
245 HD23 LEU 30 2HD2 LEU 30 -1.354 -10.717 -4.021
246 H LYS 31 H LYS 31 4.289 -12.530 -5.523
247 HA LYS 31 HA LYS 31 4.542 -10.954 -3.145
248 HB2 LYS 31 2HB LYS 31 6.314 -12.566 -3.534
249 HB3 LYS 31 1HB LYS 31 6.683 -11.848 -5.093
250 HG2 LYS 31 2HG LYS 31 8.314 -11.246 -3.376
251 HG3 LYS 31 1HG LYS 31 7.472 -9.828 -4.004
252 HD2 LYS 31 2HD LYS 31 5.959 -9.943 -2.042
253 HD3 LYS 31 1HD LYS 31 6.955 -11.244 -1.388
254 HE2 LYS 31 2HE LYS 31 8.886 -9.744 -1.372
255 HE3 LYS 31 1HE LYS 31 7.891 -8.455 -2.044
256 HZ1 LYS 31 3HZ LYS 31 7.535 -9.737 0.612
257 HZ2 LYS 31 1HZ LYS 31 6.513 -8.554 -0.024
258 HZ3 LYS 31 2HZ LYS 31 8.102 -8.182 0.316
259 H LEU 32 H LEU 32 3.009 -9.519 -4.132
260 HA LEU 32 HA LEU 32 4.444 -7.305 -5.369
261 HB2 LEU 32 2HB LEU 32 1.619 -8.228 -5.864
262 HB3 LEU 32 1HB LEU 32 2.061 -6.557 -6.106
263 HG LEU 32 HG LEU 32 2.034 -7.635 -8.218
264 HD11 LEU 32 1HD1 LEU 32 4.277 -7.258 -9.041
265 HD12 LEU 32 2HD1 LEU 32 4.894 -7.252 -7.396
266 HD13 LEU 32 3HD1 LEU 32 3.770 -5.995 -7.921
267 HD21 LEU 32 3HD2 LEU 32 3.975 -9.669 -7.117
268 HD22 LEU 32 1HD2 LEU 32 3.454 -9.559 -8.799
269 HD23 LEU 32 2HD2 LEU 32 2.288 -9.959 -7.537
270 H ILE 33 H ILE 33 4.617 -5.650 -4.099
271 HA ILE 33 HA ILE 33 2.606 -5.358 -2.035
272 HB ILE 33 HB ILE 33 4.628 -6.032 -0.927
273 HG12 ILE 33 2HG1 ILE 33 5.177 -4.096 0.492
274 HG13 ILE 33 1HG1 ILE 33 4.326 -3.059 -0.644
275 HG21 ILE 33 1HG2 ILE 33 6.057 -3.869 -2.396
276 HG22 ILE 33 2HG2 ILE 33 6.261 -5.618 -2.598
277 HG23 ILE 33 3HG2 ILE 33 6.736 -4.835 -1.086
278 HD11 ILE 33 3HD1 ILE 33 2.984 -3.588 1.308
279 HD12 ILE 33 1HD1 ILE 33 3.117 -5.303 0.932
280 HD13 ILE 33 2HD1 ILE 33 2.257 -4.218 -0.170
281 H LEU 34 H LEU 34 1.338 -3.803 -2.618
282 HA LEU 34 HA LEU 34 2.448 -1.644 -4.190
283 HB2 LEU 34 2HB LEU 34 -0.429 -2.465 -3.767
284 HB3 LEU 34 1HB LEU 34 0.021 -0.990 -4.583
285 HG LEU 34 HG LEU 34 1.172 -2.384 -6.330
286 HD11 LEU 34 1HD1 LEU 34 0.634 -4.755 -6.502
287 HD12 LEU 34 2HD1 LEU 34 -0.153 -4.691 -4.923
288 HD13 LEU 34 3HD1 LEU 34 1.582 -4.407 -5.055
289 HD21 LEU 34 3HD2 LEU 34 -0.880 -3.105 -7.427
290 HD22 LEU 34 1HD2 LEU 34 -1.076 -1.519 -6.680
291 HD23 LEU 34 2HD2 LEU 34 -1.749 -2.951 -5.902
292 H GLN 35 H GLN 35 3.445 -0.427 -2.752
293 HA GLN 35 HA GLN 35 1.767 1.010 -0.803
294 HB2 GLN 35 2HB GLN 35 4.741 0.481 -0.761
295 HB3 GLN 35 1HB GLN 35 3.883 1.475 0.396
296 HG2 GLN 35 2HG GLN 35 2.739 -0.388 1.273
297 HG3 GLN 35 1HG GLN 35 3.316 -1.439 -0.017
298 HE21 GLN 35 1HE2 GLN 35 6.040 -0.317 0.090
299 HE22 GLN 35 2HE2 GLN 35 6.754 -0.947 1.523
300 H GLY 36 H GLY 36 1.340 2.939 -1.677
301 HA2 GLY 36 2HA GLY 36 3.535 4.382 -2.943
302 HA3 GLY 36 1HA GLY 36 2.086 4.094 -3.901
303 H CYS 37 H CYS 37 1.985 6.400 -4.009
304 HA CYS 37 HA CYS 37 0.408 7.445 -1.814
305 HB2 CYS 37 2HB CYS 37 2.686 8.961 -3.136
306 HB3 CYS 37 1HB CYS 37 1.526 9.635 -2.002
307 H SER 38 H SER 38 -1.286 8.658 -2.498
308 HA SER 38 HA SER 38 -1.449 9.108 -5.382
309 HB2 SER 38 2HB SER 38 -2.552 6.959 -4.849
310 HB3 SER 38 1HB SER 38 -3.618 7.799 -3.726
311 HG SER 38 HG SER 38 -4.779 7.774 -5.479
312 H SER 39 H SER 39 -2.946 10.718 -6.030
313 HA SER 39 HA SER 39 -3.292 12.945 -4.310
314 HB2 SER 39 2HB SER 39 -4.576 12.317 -6.982
315 HB3 SER 39 1HB SER 39 -4.407 13.912 -6.240
316 HG SER 39 HG SER 39 -2.113 13.470 -6.275
317 H SER 40 H SER 40 -5.371 10.369 -5.474
318 HA SER 40 HA SER 40 -7.400 11.107 -3.506
319 HB2 SER 40 2HB SER 40 -7.904 10.032 -6.290
320 HB3 SER 40 1HB SER 40 -9.113 10.573 -5.125
321 HG SER 40 HG SER 40 -8.097 12.678 -5.290
322 H CYS 41 H CYS 41 -8.052 9.250 -2.349
323 HA CYS 41 HA CYS 41 -6.949 6.724 -3.316
324 HB2 CYS 41 2HB CYS 41 -5.416 7.937 -1.707
325 HB3 CYS 41 1HB CYS 41 -6.648 7.698 -0.478
326 H SER 42 H SER 42 -8.095 4.891 -2.580
327 HA SER 42 HA SER 42 -10.758 5.488 -1.552
328 HB2 SER 42 2HB SER 42 -9.685 2.956 -2.809
329 HB3 SER 42 1HB SER 42 -11.377 3.305 -2.436
330 HG SER 42 HG SER 42 -9.709 4.713 -4.239
331 H GLU 43 H GLU 43 -10.624 5.566 0.608
332 HA GLU 43 HA GLU 43 -8.933 4.025 2.250
333 HB2 GLU 43 2HB GLU 43 -11.508 5.467 2.880
334 HB3 GLU 43 1HB GLU 43 -10.461 4.750 4.092
335 HG2 GLU 43 2HG GLU 43 -8.689 6.245 3.520
336 HG3 GLU 43 1HG GLU 43 -9.627 6.934 2.191
337 H THR 44 H THR 44 -9.025 1.911 2.442
338 HA THR 44 HA THR 44 -11.549 0.577 2.933
339 HB THR 44 HB THR 44 -10.787 -1.217 1.233
340 HG1 THR 44 1HG THR 44 -9.173 0.979 0.549
341 HG21 THR 44 3HG2 THR 44 -12.763 0.200 0.794
342 HG22 THR 44 1HG2 THR 44 -11.853 -0.089 -0.689
343 HG23 THR 44 2HG2 THR 44 -11.709 1.455 0.147
344 H GLU 45 H GLU 45 -10.909 -1.887 3.357
345 HA GLU 45 HA GLU 45 -8.674 -1.884 5.184
346 HB2 GLU 45 2HB GLU 45 -10.454 -4.160 4.259
347 HB3 GLU 45 1HB GLU 45 -9.255 -4.283 5.533
348 HG2 GLU 45 2HG GLU 45 -10.519 -2.629 6.842
349 HG3 GLU 45 1HG GLU 45 -11.733 -2.578 5.563
350 H ASN 46 H ASN 46 -9.387 -2.849 1.992
351 HA ASN 46 HA ASN 46 -7.145 -4.527 1.456
352 HB2 ASN 46 2HB ASN 46 -9.246 -4.565 0.156
353 HB3 ASN 46 1HB ASN 46 -8.934 -2.931 -0.391
354 HD21 ASN 46 1HD2 ASN 46 -9.349 -5.448 -1.816
355 HD22 ASN 46 2HD2 ASN 46 -8.008 -5.621 -2.880
356 H ASN 47 H ASN 47 -7.922 -1.140 0.624
357 HA ASN 47 HA ASN 47 -5.085 -0.695 0.236
358 HB2 ASN 47 2HB ASN 47 -6.407 -0.504 -1.780
359 HB3 ASN 47 1HB ASN 47 -7.480 0.661 -1.012
360 HD21 ASN 47 1HD2 ASN 47 -6.763 2.701 -0.689
361 HD22 ASN 47 2HD2 ASN 47 -5.355 3.336 -1.438
362 H LYS 48 H LYS 48 -4.470 0.030 2.034
363 HA LYS 48 HA LYS 48 -6.096 1.602 3.825
364 HB2 LYS 48 2HB LYS 48 -4.709 -0.167 4.695
365 HB3 LYS 48 1HB LYS 48 -3.284 0.534 3.964
366 HG2 LYS 48 2HG LYS 48 -3.377 2.395 5.527
367 HG3 LYS 48 1HG LYS 48 -4.871 1.743 6.221
368 HD2 LYS 48 2HD LYS 48 -3.736 -0.258 6.925
369 HD3 LYS 48 1HD LYS 48 -2.265 0.241 6.101
370 HE2 LYS 48 2HE LYS 48 -3.519 1.649 8.465
371 HE3 LYS 48 1HE LYS 48 -2.161 0.539 8.542
372 HZ1 LYS 48 3HZ LYS 48 -0.857 2.045 7.186
373 HZ2 LYS 48 1HZ LYS 48 -1.424 2.829 8.563
374 HZ3 LYS 48 2HZ LYS 48 -2.166 3.130 7.091
375 H CYS 49 H CYS 49 -6.324 3.695 3.338
376 HA CYS 49 HA CYS 49 -4.082 5.220 2.207
377 HB2 CYS 49 2HB CYS 49 -6.938 6.096 2.599
378 HB3 CYS 49 1HB CYS 49 -5.708 6.881 1.620
379 H CYS 50 H CYS 50 -2.987 6.592 3.450
380 HA CYS 50 HA CYS 50 -4.247 7.697 5.823
381 HB2 CYS 50 2HB CYS 50 -2.065 7.203 7.027
382 HB3 CYS 50 1HB CYS 50 -3.138 5.836 6.717
383 H SER 51 H SER 51 -3.096 9.659 6.623
384 HA SER 51 HA SER 51 -1.760 11.013 4.387
385 HB2 SER 51 2HB SER 51 -2.822 13.043 5.543
386 HB3 SER 51 1HB SER 51 -3.887 11.942 4.657
387 HG SER 51 HG SER 51 -4.669 11.191 6.475
388 H THR 52 H THR 52 -0.182 9.589 6.441
389 HA THR 52 HA THR 52 1.156 11.926 7.599
390 HB THR 52 HB THR 52 0.758 9.412 9.191
391 HG1 THR 52 1HG THR 52 -0.798 11.820 9.129
392 HG21 THR 52 3HG2 THR 52 1.280 10.868 11.111
393 HG22 THR 52 1HG2 THR 52 1.459 12.240 10.015
394 HG23 THR 52 2HG2 THR 52 2.582 10.884 9.922
395 H ASP 53 H ASP 53 3.322 11.565 8.151
396 HA ASP 53 HA ASP 53 5.019 10.359 6.371
397 HB2 ASP 53 2HB ASP 53 6.034 11.928 7.689
398 HB3 ASP 53 1HB ASP 53 5.333 11.307 9.186
399 H ARG 54 H ARG 54 5.463 8.377 5.917
400 HA ARG 54 HA ARG 54 5.790 6.177 5.929
401 HB2 ARG 54 2HB ARG 54 6.714 6.906 8.687
402 HB3 ARG 54 1HB ARG 54 6.919 5.290 8.021
403 HG2 ARG 54 2HG ARG 54 8.284 6.127 6.244
404 HG3 ARG 54 1HG ARG 54 7.938 7.789 6.707
405 HD2 ARG 54 2HD ARG 54 9.315 5.841 8.540
406 HD3 ARG 54 1HD ARG 54 10.187 6.907 7.439
407 HE ARG 54 HE ARG 54 8.460 8.517 8.835
408 HH11 ARG 54 1HH1 ARG 54 11.139 6.370 9.753
409 HH12 ARG 54 2HH1 ARG 54 11.632 7.339 11.054
410 HH21 ARG 54 1HH2 ARG 54 9.089 9.776 10.564
411 HH22 ARG 54 2HH2 ARG 54 10.438 9.360 11.556
412 H CYS 55 H CYS 55 3.097 7.017 6.615
413 HA CYS 55 HA CYS 55 2.176 5.213 8.616
414 HB2 CYS 55 2HB CYS 55 -0.039 5.921 7.930
415 HB3 CYS 55 1HB CYS 55 1.024 7.320 8.061
416 H ASN 56 H ASN 56 2.921 4.896 5.256
417 HA ASN 56 HA ASN 56 1.169 2.627 5.009
418 HB2 ASN 56 2HB ASN 56 1.659 2.574 2.613
419 HB3 ASN 56 1HB ASN 56 1.218 4.197 3.098
420 HD21 ASN 56 1HD2 ASN 56 2.554 3.363 0.780
421 HD22 ASN 56 2HD2 ASN 56 4.129 4.063 0.726
422 H LYS 57 H LYS 57 2.376 1.641 6.702
423 HA LYS 57 HA LYS 57 4.392 -0.041 5.543
424 HB2 LYS 57 2HB LYS 57 5.731 0.002 7.638
425 HB3 LYS 57 1HB LYS 57 5.622 1.558 6.829
426 HG2 LYS 57 2HG LYS 57 4.040 2.344 8.473
427 HG3 LYS 57 1HG LYS 57 4.036 0.765 9.263
428 HD2 LYS 57 2HD LYS 57 6.440 1.009 9.733
429 HD3 LYS 57 1HD LYS 57 6.424 2.594 8.963
430 HE2 LYS 57 2HE LYS 57 4.847 1.797 11.404
431 HE3 LYS 57 1HE LYS 57 6.325 2.756 11.413
432 HZ1 LYS 57 3HZ LYS 57 3.712 3.523 10.221
433 HZ2 LYS 57 1HZ LYS 57 5.124 4.437 10.074
434 HZ3 LYS 57 2HZ LYS 57 4.436 4.203 11.581
Start of MODEL 18
1 H1 LEU 1 1HT LEU 1 3.425 15.154 2.401
2 H2 LEU 1 2HT LEU 1 4.096 14.373 1.054
3 H3 LEU 1 3HT LEU 1 5.090 15.160 2.167
4 HA LEU 1 HA LEU 1 4.587 13.627 3.837
5 HB2 LEU 1 2HB LEU 1 2.699 12.557 1.789
6 HB3 LEU 1 1HB LEU 1 3.349 11.516 3.034
7 HG LEU 1 HG LEU 1 1.732 14.012 3.551
8 HD11 LEU 1 2HD1 LEU 1 0.425 12.218 2.516
9 HD12 LEU 1 3HD1 LEU 1 -0.013 12.434 4.217
10 HD13 LEU 1 1HD1 LEU 1 1.029 11.093 3.734
11 HD21 LEU 1 1HD2 LEU 1 2.823 11.850 5.334
12 HD22 LEU 1 2HD2 LEU 1 1.675 13.083 5.849
13 HD23 LEU 1 3HD2 LEU 1 3.301 13.544 5.341
14 H LYS 2 H LYS 2 6.065 12.157 4.171
15 HA LYS 2 HA LYS 2 7.254 11.037 1.805
16 HB2 LYS 2 2HB LYS 2 9.312 10.653 3.210
17 HB3 LYS 2 1HB LYS 2 8.900 12.338 2.960
18 HG2 LYS 2 2HG LYS 2 7.940 12.438 5.185
19 HG3 LYS 2 1HG LYS 2 8.343 10.739 5.434
20 HD2 LYS 2 2HD LYS 2 10.696 11.223 5.234
21 HD3 LYS 2 1HD LYS 2 10.347 12.902 4.820
22 HE2 LYS 2 2HE LYS 2 9.667 11.563 7.430
23 HE3 LYS 2 1HE LYS 2 11.018 12.666 7.163
24 HZ1 LYS 2 3HZ LYS 2 9.435 14.405 6.600
25 HZ2 LYS 2 1HZ LYS 2 9.111 13.803 8.135
26 HZ3 LYS 2 2HZ LYS 2 8.135 13.368 6.836
27 H CYS 3 H CYS 3 6.763 9.051 1.415
28 HA CYS 3 HA CYS 3 6.193 7.259 3.612
29 HB2 CYS 3 2HB CYS 3 4.283 7.851 1.353
30 HB3 CYS 3 1HB CYS 3 4.139 6.446 2.408
31 H PHE 4 H PHE 4 5.813 4.960 2.758
32 HA PHE 4 HA PHE 4 8.276 4.364 1.389
33 HB2 PHE 4 2HB PHE 4 6.163 2.505 2.488
34 HB3 PHE 4 1HB PHE 4 7.765 2.041 1.940
35 HD1 PHE 4 1HD PHE 4 9.714 2.553 3.276
36 HD2 PHE 4 2HD PHE 4 5.811 3.539 4.608
37 HE1 PHE 4 1HE PHE 4 10.568 2.842 5.551
38 HE2 PHE 4 2HE PHE 4 6.653 3.855 6.885
39 HZ PHE 4 HZ PHE 4 9.041 3.494 7.372
40 H GLN 5 H GLN 5 7.694 5.129 -0.716
41 HA GLN 5 HA GLN 5 5.534 3.760 -2.092
42 HB2 GLN 5 2HB GLN 5 6.020 6.101 -2.676
43 HB3 GLN 5 1HB GLN 5 7.619 5.628 -3.234
44 HG2 GLN 5 2HG GLN 5 6.603 4.260 -4.994
45 HG3 GLN 5 1HG GLN 5 5.005 4.735 -4.442
46 HE21 GLN 5 1HE2 GLN 5 7.744 6.925 -4.600
47 HE22 GLN 5 2HE2 GLN 5 7.119 7.889 -5.881
48 H HIS 6 H HIS 6 9.042 3.613 -2.144
49 HA HIS 6 HA HIS 6 8.818 1.366 -4.035
50 HB2 HIS 6 2HB HIS 6 11.220 3.083 -3.387
51 HB3 HIS 6 1HB HIS 6 11.212 1.742 -4.530
52 HD1 HIS 6 1HD HIS 6 10.032 2.151 -6.816
53 HD2 HIS 6 2HD HIS 6 9.997 5.417 -4.256
54 HE1 HIS 6 1HE HIS 6 9.251 4.114 -8.199
55 H GLY 7 H GLY 7 8.946 1.841 -0.921
56 HA2 GLY 7 2HA GLY 7 9.206 -0.192 0.459
57 HA3 GLY 7 1HA GLY 7 10.746 -0.426 -0.379
58 H LYS 8 H LYS 8 11.552 2.177 -0.528
59 HA LYS 8 HA LYS 8 12.223 2.745 2.232
60 HB2 LYS 8 2HB LYS 8 13.906 4.249 1.351
61 HB3 LYS 8 1HB LYS 8 14.048 2.684 0.566
62 HG2 LYS 8 2HG LYS 8 12.908 3.618 -1.425
63 HG3 LYS 8 1HG LYS 8 12.786 5.167 -0.598
64 HD2 LYS 8 2HD LYS 8 14.675 5.213 -2.125
65 HD3 LYS 8 1HD LYS 8 15.251 5.272 -0.462
66 HE2 LYS 8 2HE LYS 8 15.710 2.855 -0.554
67 HE3 LYS 8 1HE LYS 8 15.164 2.829 -2.230
68 HZ1 LYS 8 3HZ LYS 8 17.443 4.405 -1.208
69 HZ2 LYS 8 1HZ LYS 8 16.982 4.273 -2.819
70 HZ3 LYS 8 2HZ LYS 8 17.583 2.929 -1.996
71 H VAL 9 H VAL 9 12.176 4.999 2.923
72 HA VAL 9 HA VAL 9 9.605 6.178 2.426
73 HB VAL 9 HB VAL 9 11.905 7.477 3.886
74 HG11 VAL 9 1HG1 VAL 9 10.125 8.550 5.180
75 HG12 VAL 9 2HG1 VAL 9 8.936 7.743 4.156
76 HG13 VAL 9 3HG1 VAL 9 10.072 8.895 3.453
77 HG21 VAL 9 3HG2 VAL 9 9.940 5.510 5.039
78 HG22 VAL 9 1HG2 VAL 9 11.090 6.472 5.966
79 HG23 VAL 9 2HG2 VAL 9 11.671 5.254 4.830
80 H VAL 10 H VAL 10 9.210 7.576 0.785
81 HA VAL 10 HA VAL 10 11.412 9.260 -0.140
82 HB VAL 10 HB VAL 10 10.662 9.069 -2.466
83 HG11 VAL 10 1HG1 VAL 10 12.380 7.516 -1.760
84 HG12 VAL 10 2HG1 VAL 10 11.321 6.762 -2.956
85 HG13 VAL 10 3HG1 VAL 10 11.143 6.366 -1.246
86 HG21 VAL 10 3HG2 VAL 10 8.292 8.632 -2.102
87 HG22 VAL 10 1HG2 VAL 10 8.671 7.030 -1.470
88 HG23 VAL 10 2HG2 VAL 10 8.994 7.411 -3.163
89 H THR 11 H THR 11 10.759 11.314 -0.922
90 HA THR 11 HA THR 11 8.391 12.354 0.267
91 HB THR 11 HB THR 11 10.312 13.580 -1.746
92 HG1 THR 11 1HG THR 11 10.762 13.000 0.715
93 HG21 THR 11 3HG2 THR 11 8.169 14.910 -0.065
94 HG22 THR 11 1HG2 THR 11 8.141 14.722 -1.817
95 HG23 THR 11 2HG2 THR 11 9.353 15.757 -1.060
96 H CYS 12 H CYS 12 6.416 12.148 -0.547
97 HA CYS 12 HA CYS 12 6.031 11.268 -3.254
98 HB2 CYS 12 2HB CYS 12 4.115 11.672 -0.945
99 HB3 CYS 12 1HB CYS 12 3.664 11.009 -2.522
100 H HIS 13 H HIS 13 4.398 12.262 -4.633
101 HA HIS 13 HA HIS 13 5.237 14.845 -5.319
102 HB2 HIS 13 2HB HIS 13 4.296 13.059 -6.851
103 HB3 HIS 13 1HB HIS 13 2.720 13.465 -6.211
104 HD1 HIS 13 1HD HIS 13 1.492 14.703 -7.988
105 HD2 HIS 13 2HD HIS 13 5.506 15.764 -7.816
106 HE1 HIS 13 1HE HIS 13 1.823 16.489 -9.724
107 H ARG 14 H ARG 14 3.963 16.730 -5.578
108 HA ARG 14 HA ARG 14 2.899 17.908 -3.326
109 HB2 ARG 14 2HB ARG 14 2.068 19.686 -4.795
110 HB3 ARG 14 1HB ARG 14 3.662 19.168 -5.330
111 HG2 ARG 14 2HG ARG 14 2.675 17.819 -7.072
112 HG3 ARG 14 1HG ARG 14 1.067 18.213 -6.498
113 HD2 ARG 14 2HD ARG 14 1.573 20.606 -7.065
114 HD3 ARG 14 1HD ARG 14 3.061 20.030 -7.818
115 HE ARG 14 HE ARG 14 0.810 18.541 -8.667
116 HH11 ARG 14 1HH1 ARG 14 2.385 21.651 -9.248
117 HH12 ARG 14 2HH1 ARG 14 1.917 21.773 -10.876
118 HH21 ARG 14 1HH2 ARG 14 0.201 18.666 -10.939
119 HH22 ARG 14 2HH2 ARG 14 0.638 20.030 -11.862
120 H ASP 15 H ASP 15 1.230 15.996 -5.738
121 HA ASP 15 HA ASP 15 -1.398 16.920 -4.884
122 HB2 ASP 15 2HB ASP 15 -0.569 14.958 -7.026
123 HB3 ASP 15 1HB ASP 15 -2.243 15.273 -6.610
124 H MET 16 H MET 16 0.775 14.615 -4.017
125 HA MET 16 HA MET 16 -1.138 12.592 -3.344
126 HB2 MET 16 2HB MET 16 1.847 12.803 -3.266
127 HB3 MET 16 1HB MET 16 1.090 11.507 -2.380
128 HG2 MET 16 2HG MET 16 1.800 10.759 -4.518
129 HG3 MET 16 1HG MET 16 0.049 10.704 -4.383
130 HE1 MET 16 3HE MET 16 0.488 11.347 -8.111
131 HE2 MET 16 1HE MET 16 -0.271 10.399 -6.820
132 HE3 MET 16 2HE MET 16 1.481 10.337 -7.026
133 H LYS 17 H LYS 17 -2.393 13.145 -1.815
134 HA LYS 17 HA LYS 17 -1.403 14.560 0.540
135 HB2 LYS 17 2HB LYS 17 -4.234 13.850 -0.232
136 HB3 LYS 17 1HB LYS 17 -3.738 14.919 1.068
137 HG2 LYS 17 2HG LYS 17 -2.779 16.454 -0.614
138 HG3 LYS 17 1HG LYS 17 -3.397 15.395 -1.881
139 HD2 LYS 17 2HD LYS 17 -5.680 15.739 -1.049
140 HD3 LYS 17 1HD LYS 17 -5.057 16.810 0.207
141 HE2 LYS 17 2HE LYS 17 -4.125 18.258 -1.572
142 HE3 LYS 17 1HE LYS 17 -4.908 17.234 -2.774
143 HZ1 LYS 17 3HZ LYS 17 -6.278 18.805 -0.658
144 HZ2 LYS 17 1HZ LYS 17 -7.054 17.822 -1.779
145 HZ3 LYS 17 2HZ LYS 17 -6.231 19.180 -2.296
146 H PHE 18 H PHE 18 -2.119 11.452 -0.547
147 HA PHE 18 HA PHE 18 -2.358 10.470 2.198
148 HB2 PHE 18 2HB PHE 18 -3.891 9.450 -0.207
149 HB3 PHE 18 1HB PHE 18 -3.916 8.747 1.401
150 HD1 PHE 18 2HD PHE 18 -5.154 9.824 3.198
151 HD2 PHE 18 1HD PHE 18 -5.097 11.462 -0.725
152 HE1 PHE 18 2HE PHE 18 -7.091 11.239 3.760
153 HE2 PHE 18 1HE PHE 18 -7.023 12.871 -0.181
154 HZ PHE 18 HZ PHE 18 -8.033 12.761 2.072
155 H CYS 19 H CYS 19 -1.337 8.572 2.521
156 HA CYS 19 HA CYS 19 0.320 7.542 0.358
157 HB2 CYS 19 2HB CYS 19 0.537 7.136 3.352
158 HB3 CYS 19 1HB CYS 19 1.702 6.620 2.135
159 H TYR 20 H TYR 20 0.134 5.237 0.010
160 HA TYR 20 HA TYR 20 -2.046 4.060 1.518
161 HB2 TYR 20 2HB TYR 20 -3.041 3.037 -0.458
162 HB3 TYR 20 1HB TYR 20 -3.046 4.785 -0.591
163 HD1 TYR 20 2HD TYR 20 -1.532 1.660 -1.890
164 HD2 TYR 20 1HD TYR 20 -1.847 5.869 -2.352
165 HE1 TYR 20 2HE TYR 20 -0.510 1.475 -4.089
166 HE2 TYR 20 1HE TYR 20 -0.826 5.696 -4.581
167 HH TYR 20 HH TYR 20 -0.507 2.808 -6.203
168 H HIS 21 H HIS 21 -1.996 2.009 1.839
169 HA HIS 21 HA HIS 21 0.307 0.503 0.858
170 HB2 HIS 21 2HB HIS 21 0.425 0.882 3.300
171 HB3 HIS 21 1HB HIS 21 -1.201 0.247 3.497
172 HD1 HIS 21 1HD HIS 21 0.187 -1.324 5.260
173 HD2 HIS 21 2HD HIS 21 0.885 -1.977 1.220
174 HE1 HIS 21 1HE HIS 21 1.213 -3.608 5.102
175 H ASN 22 H ASN 22 -0.583 -0.479 -0.842
176 HA ASN 22 HA ASN 22 -3.237 -1.677 -0.560
177 HB2 ASN 22 2HB ASN 22 -2.881 -0.057 -2.420
178 HB3 ASN 22 1HB ASN 22 -1.607 -1.059 -3.067
179 HD21 ASN 22 1HD2 ASN 22 -4.880 -0.448 -2.867
180 HD22 ASN 22 2HD2 ASN 22 -5.479 -1.743 -3.844
181 H THR 23 H THR 23 -3.377 -3.861 -0.725
182 HA THR 23 HA THR 23 -1.001 -5.327 -1.428
183 HB THR 23 HB THR 23 -0.779 -4.943 0.967
184 HG1 THR 23 1HG THR 23 -0.084 -6.883 0.288
185 HG21 THR 23 3HG2 THR 23 -3.531 -6.182 1.258
186 HG22 THR 23 1HG2 THR 23 -3.078 -4.514 1.616
187 HG23 THR 23 2HG2 THR 23 -2.442 -5.822 2.602
188 H GLY 24 H GLY 24 -1.756 -7.859 -1.197
189 HA2 GLY 24 2HA GLY 24 -4.280 -7.881 -2.703
190 HA3 GLY 24 1HA GLY 24 -2.969 -9.032 -2.938
191 H MET 25 H MET 25 -4.567 -10.678 -2.661
192 HA MET 25 HA MET 25 -5.845 -11.005 -0.114
193 HB2 MET 25 2HB MET 25 -5.381 -12.975 -2.362
194 HB3 MET 25 1HB MET 25 -6.354 -13.307 -0.939
195 HG2 MET 25 2HG MET 25 -7.918 -11.564 -1.592
196 HG3 MET 25 1HG MET 25 -6.940 -11.197 -3.013
197 HE1 MET 25 3HE MET 25 -6.048 -14.216 -3.863
198 HE2 MET 25 1HE MET 25 -6.538 -12.953 -4.996
199 HE3 MET 25 2HE MET 25 -7.295 -14.541 -5.060
200 HA PRO 26 HA PRO 26 -2.161 -12.492 1.805
201 HB2 PRO 26 2HB PRO 26 -3.294 -13.510 4.086
202 HB3 PRO 26 1HB PRO 26 -2.957 -11.797 3.827
203 HG2 PRO 26 2HG PRO 26 -5.526 -13.283 3.576
204 HG3 PRO 26 1HG PRO 26 -5.232 -11.651 4.192
205 HD2 PRO 26 2HD PRO 26 -6.219 -12.168 1.712
206 HD3 PRO 26 1HD PRO 26 -5.254 -10.729 2.095
207 H PHE 27 H PHE 27 -1.394 -14.091 0.680
208 HA PHE 27 HA PHE 27 -2.076 -16.832 1.394
209 HB2 PHE 27 2HB PHE 27 -1.549 -15.726 -1.381
210 HB3 PHE 27 1HB PHE 27 -1.274 -17.414 -0.991
211 HD1 PHE 27 2HD PHE 27 -3.847 -14.796 -1.348
212 HD2 PHE 27 1HD PHE 27 -3.063 -18.943 -0.855
213 HE1 PHE 27 2HE PHE 27 -6.199 -15.310 -1.908
214 HE2 PHE 27 1HE PHE 27 -5.399 -19.464 -1.412
215 HZ PHE 27 HZ PHE 27 -6.972 -17.644 -1.942
216 H ARG 28 H ARG 28 -0.228 -18.160 1.531
217 HA ARG 28 HA ARG 28 2.053 -16.923 2.570
218 HB2 ARG 28 2HB ARG 28 1.894 -19.674 1.345
219 HB3 ARG 28 1HB ARG 28 3.148 -19.099 2.429
220 HG2 ARG 28 2HG ARG 28 1.468 -18.847 4.202
221 HG3 ARG 28 1HG ARG 28 0.241 -19.491 3.112
222 HD2 ARG 28 2HD ARG 28 2.715 -20.897 4.097
223 HD3 ARG 28 1HD ARG 28 1.046 -21.260 4.538
224 HE ARG 28 HE ARG 28 1.157 -21.493 1.809
225 HH11 ARG 28 1HH1 ARG 28 2.745 -23.085 4.545
226 HH12 ARG 28 2HH1 ARG 28 3.059 -24.528 3.709
227 HH21 ARG 28 1HH2 ARG 28 1.590 -23.436 0.670
228 HH22 ARG 28 2HH2 ARG 28 2.392 -24.732 1.431
229 H ASN 29 H ASN 29 3.488 -15.739 1.596
230 HA ASN 29 HA ASN 29 5.127 -15.055 0.290
231 HB2 ASN 29 2HB ASN 29 4.626 -17.574 -1.219
232 HB3 ASN 29 1HB ASN 29 5.718 -16.352 -1.879
233 HD21 ASN 29 1HD2 ASN 29 7.634 -15.937 -0.779
234 HD22 ASN 29 2HD2 ASN 29 8.296 -17.043 0.375
235 H LEU 30 H LEU 30 1.991 -15.038 -0.475
236 HA LEU 30 HA LEU 30 2.383 -13.619 -2.978
237 HB2 LEU 30 2HB LEU 30 0.374 -15.191 -2.513
238 HB3 LEU 30 1HB LEU 30 -0.218 -13.942 -1.447
239 HG LEU 30 HG LEU 30 0.186 -13.601 -4.438
240 HD11 LEU 30 1HD1 LEU 30 -1.547 -15.231 -3.979
241 HD12 LEU 30 2HD1 LEU 30 -2.238 -13.739 -4.613
242 HD13 LEU 30 3HD1 LEU 30 -2.344 -14.096 -2.889
243 HD21 LEU 30 3HD2 LEU 30 0.258 -11.463 -3.220
244 HD22 LEU 30 1HD2 LEU 30 -1.286 -11.848 -2.458
245 HD23 LEU 30 2HD2 LEU 30 -1.202 -11.592 -4.200
246 H LYS 31 H LYS 31 3.641 -12.037 -2.204
247 HA LYS 31 HA LYS 31 2.417 -10.212 -0.319
248 HB2 LYS 31 2HB LYS 31 4.771 -9.295 -0.068
249 HB3 LYS 31 1HB LYS 31 4.485 -10.899 0.580
250 HG2 LYS 31 2HG LYS 31 5.522 -11.864 -1.455
251 HG3 LYS 31 1HG LYS 31 5.874 -10.228 -2.013
252 HD2 LYS 31 2HD LYS 31 7.255 -9.845 -0.032
253 HD3 LYS 31 1HD LYS 31 6.874 -11.464 0.555
254 HE2 LYS 31 2HE LYS 31 7.937 -12.422 -1.441
255 HE3 LYS 31 1HE LYS 31 8.340 -10.799 -1.996
256 HZ1 LYS 31 3HZ LYS 31 9.681 -10.520 0.028
257 HZ2 LYS 31 1HZ LYS 31 10.215 -11.818 -0.902
258 HZ3 LYS 31 2HZ LYS 31 9.324 -12.092 0.490
259 H LEU 32 H LEU 32 1.106 -9.214 -1.737
260 HA LEU 32 HA LEU 32 2.277 -7.879 -3.991
261 HB2 LEU 32 2HB LEU 32 0.014 -8.751 -4.228
262 HB3 LEU 32 1HB LEU 32 -0.519 -7.823 -2.843
263 HG LEU 32 HG LEU 32 -0.179 -5.736 -4.081
264 HD11 LEU 32 1HD1 LEU 32 0.320 -5.756 -6.462
265 HD12 LEU 32 2HD1 LEU 32 0.562 -7.497 -6.410
266 HD13 LEU 32 3HD1 LEU 32 1.651 -6.427 -5.525
267 HD21 LEU 32 3HD2 LEU 32 -1.843 -7.759 -5.573
268 HD22 LEU 32 1HD2 LEU 32 -1.993 -6.006 -5.702
269 HD23 LEU 32 2HD2 LEU 32 -2.355 -6.813 -4.176
270 H ILE 33 H ILE 33 3.536 -6.295 -3.496
271 HA ILE 33 HA ILE 33 2.729 -4.490 -1.374
272 HB ILE 33 HB ILE 33 5.459 -5.037 -2.571
273 HG12 ILE 33 2HG1 ILE 33 4.709 -6.619 -0.865
274 HG13 ILE 33 1HG1 ILE 33 6.054 -5.650 -0.276
275 HG21 ILE 33 1HG2 ILE 33 6.400 -3.332 -1.101
276 HG22 ILE 33 2HG2 ILE 33 4.784 -2.886 -0.567
277 HG23 ILE 33 3HG2 ILE 33 5.260 -2.617 -2.246
278 HD11 ILE 33 3HD1 ILE 33 4.449 -5.850 1.495
279 HD12 ILE 33 1HD1 ILE 33 3.140 -5.321 0.423
280 HD13 ILE 33 2HD1 ILE 33 4.398 -4.192 0.867
281 H LEU 34 H LEU 34 1.408 -3.158 -2.250
282 HA LEU 34 HA LEU 34 2.472 -1.474 -4.368
283 HB2 LEU 34 2HB LEU 34 -0.357 -2.239 -3.731
284 HB3 LEU 34 1HB LEU 34 0.039 -0.932 -4.850
285 HG LEU 34 HG LEU 34 0.566 -3.883 -5.143
286 HD11 LEU 34 1HD1 LEU 34 -1.024 -3.741 -6.990
287 HD12 LEU 34 2HD1 LEU 34 -1.278 -2.032 -6.634
288 HD13 LEU 34 3HD1 LEU 34 -1.757 -3.257 -5.461
289 HD21 LEU 34 3HD2 LEU 34 1.318 -3.329 -7.432
290 HD22 LEU 34 1HD2 LEU 34 2.370 -2.682 -6.174
291 HD23 LEU 34 2HD2 LEU 34 1.239 -1.616 -7.007
292 H GLN 35 H GLN 35 3.486 -0.772 -2.291
293 HA GLN 35 HA GLN 35 1.779 0.976 -0.725
294 HB2 GLN 35 2HB GLN 35 4.729 0.345 -0.556
295 HB3 GLN 35 1HB GLN 35 3.858 1.385 0.568
296 HG2 GLN 35 2HG GLN 35 2.529 -0.517 1.274
297 HG3 GLN 35 1HG GLN 35 3.361 -1.551 0.117
298 HE21 GLN 35 1HE2 GLN 35 4.960 0.933 1.975
299 HE22 GLN 35 2HE2 GLN 35 5.843 -0.121 2.998
300 H GLY 36 H GLY 36 1.423 2.936 -1.542
301 HA2 GLY 36 2HA GLY 36 3.659 4.363 -2.764
302 HA3 GLY 36 1HA GLY 36 2.201 4.133 -3.725
303 H CYS 37 H CYS 37 2.242 6.504 -3.727
304 HA CYS 37 HA CYS 37 0.605 7.378 -1.499
305 HB2 CYS 37 2HB CYS 37 2.694 9.050 -2.947
306 HB3 CYS 37 1HB CYS 37 1.504 9.669 -1.812
307 H SER 38 H SER 38 -1.106 8.757 -2.085
308 HA SER 38 HA SER 38 -1.635 8.859 -4.949
309 HB2 SER 38 2HB SER 38 -2.736 6.837 -4.080
310 HB3 SER 38 1HB SER 38 -3.533 7.797 -2.837
311 HG SER 38 HG SER 38 -4.619 7.212 -4.955
312 H SER 39 H SER 39 -3.365 10.330 -5.411
313 HA SER 39 HA SER 39 -3.207 12.708 -3.808
314 HB2 SER 39 2HB SER 39 -3.157 12.684 -6.334
315 HB3 SER 39 1HB SER 39 -4.846 12.186 -6.306
316 HG SER 39 HG SER 39 -3.845 14.477 -5.024
317 H SER 40 H SER 40 -5.288 9.989 -4.179
318 HA SER 40 HA SER 40 -7.210 11.259 -2.418
319 HB2 SER 40 2HB SER 40 -8.953 9.950 -3.772
320 HB3 SER 40 1HB SER 40 -8.293 11.416 -4.503
321 HG SER 40 HG SER 40 -7.726 10.233 -6.063
322 H CYS 41 H CYS 41 -8.766 9.410 -1.643
323 HA CYS 41 HA CYS 41 -7.085 7.144 -0.908
324 HB2 CYS 41 2HB CYS 41 -7.602 8.330 1.082
325 HB3 CYS 41 1HB CYS 41 -9.285 8.532 0.602
326 H SER 42 H SER 42 -7.610 5.407 -2.045
327 HA SER 42 HA SER 42 -10.245 4.956 -3.010
328 HB2 SER 42 2HB SER 42 -7.915 3.030 -2.756
329 HB3 SER 42 1HB SER 42 -9.292 2.884 -3.852
330 HG SER 42 HG SER 42 -8.577 4.770 -4.907
331 H GLU 43 H GLU 43 -11.681 4.793 -1.383
332 HA GLU 43 HA GLU 43 -11.132 3.978 1.232
333 HB2 GLU 43 2HB GLU 43 -13.738 4.426 -0.176
334 HB3 GLU 43 1HB GLU 43 -13.597 4.122 1.551
335 HG2 GLU 43 2HG GLU 43 -12.382 6.108 1.886
336 HG3 GLU 43 1HG GLU 43 -12.176 6.354 0.155
337 H THR 44 H THR 44 -10.263 2.004 1.184
338 HA THR 44 HA THR 44 -12.168 -0.150 1.382
339 HB THR 44 HB THR 44 -10.509 -1.682 0.222
340 HG1 THR 44 1HG THR 44 -9.435 0.816 -0.478
341 HG21 THR 44 3HG2 THR 44 -11.167 -1.146 -2.085
342 HG22 THR 44 1HG2 THR 44 -11.678 0.458 -1.559
343 HG23 THR 44 2HG2 THR 44 -12.545 -0.972 -0.989
344 H GLU 45 H GLU 45 -11.112 -1.929 2.661
345 HA GLU 45 HA GLU 45 -9.125 -0.791 4.450
346 HB2 GLU 45 2HB GLU 45 -10.548 -3.453 4.569
347 HB3 GLU 45 1HB GLU 45 -9.476 -2.818 5.808
348 HG2 GLU 45 2HG GLU 45 -10.987 -0.938 6.161
349 HG3 GLU 45 1HG GLU 45 -12.063 -1.578 4.922
350 H ASN 46 H ASN 46 -9.342 -2.781 1.781
351 HA ASN 46 HA ASN 46 -6.901 -4.222 2.073
352 HB2 ASN 46 2HB ASN 46 -8.563 -5.089 0.562
353 HB3 ASN 46 1HB ASN 46 -8.607 -3.576 -0.335
354 HD21 ASN 46 1HD2 ASN 46 -6.757 -6.477 0.309
355 HD22 ASN 46 2HD2 ASN 46 -5.716 -6.299 -1.060
356 H ASN 47 H ASN 47 -7.826 -1.211 0.371
357 HA ASN 47 HA ASN 47 -5.015 -0.595 0.070
358 HB2 ASN 47 2HB ASN 47 -6.334 -0.306 -1.908
359 HB3 ASN 47 1HB ASN 47 -7.522 0.674 -1.056
360 HD21 ASN 47 1HD2 ASN 47 -7.057 2.785 -0.642
361 HD22 ASN 47 2HD2 ASN 47 -5.714 3.627 -1.348
362 H LYS 48 H LYS 48 -4.406 -0.025 1.932
363 HA LYS 48 HA LYS 48 -6.056 1.458 3.767
364 HB2 LYS 48 2HB LYS 48 -3.204 0.510 3.940
365 HB3 LYS 48 1HB LYS 48 -4.110 1.210 5.295
366 HG2 LYS 48 2HG LYS 48 -5.697 -0.679 5.051
367 HG3 LYS 48 1HG LYS 48 -4.642 -1.340 3.804
368 HD2 LYS 48 2HD LYS 48 -2.797 -1.381 5.469
369 HD3 LYS 48 1HD LYS 48 -3.949 -0.854 6.697
370 HE2 LYS 48 2HE LYS 48 -4.052 -3.407 5.097
371 HE3 LYS 48 1HE LYS 48 -3.676 -3.248 6.809
372 HZ1 LYS 48 3HZ LYS 48 -6.300 -2.702 5.508
373 HZ2 LYS 48 1HZ LYS 48 -5.970 -2.393 7.140
374 HZ3 LYS 48 2HZ LYS 48 -5.919 -3.959 6.550
375 H CYS 49 H CYS 49 -6.281 3.583 3.445
376 HA CYS 49 HA CYS 49 -3.976 5.054 2.421
377 HB2 CYS 49 2HB CYS 49 -5.514 6.872 1.912
378 HB3 CYS 49 1HB CYS 49 -6.135 5.377 1.226
379 H CYS 50 H CYS 50 -2.928 6.453 3.632
380 HA CYS 50 HA CYS 50 -4.035 7.309 6.184
381 HB2 CYS 50 2HB CYS 50 -1.818 6.807 7.198
382 HB3 CYS 50 1HB CYS 50 -2.673 5.357 6.670
383 H SER 51 H SER 51 -2.947 9.320 6.878
384 HA SER 51 HA SER 51 -1.275 10.463 4.805
385 HB2 SER 51 2HB SER 51 -2.484 12.658 5.219
386 HB3 SER 51 1HB SER 51 -3.388 11.424 4.337
387 HG SER 51 HG SER 51 -3.609 12.259 7.001
388 H THR 52 H THR 52 0.293 9.609 6.482
389 HA THR 52 HA THR 52 1.126 11.866 8.069
390 HB THR 52 HB THR 52 1.065 9.110 9.319
391 HG1 THR 52 1HG THR 52 -0.927 10.999 9.057
392 HG21 THR 52 3HG2 THR 52 1.384 10.349 11.420
393 HG22 THR 52 1HG2 THR 52 1.371 11.868 10.524
394 HG23 THR 52 2HG2 THR 52 2.672 10.704 10.267
395 H ASP 53 H ASP 53 3.428 11.591 8.596
396 HA ASP 53 HA ASP 53 4.895 10.568 6.390
397 HB2 ASP 53 2HB ASP 53 5.967 11.323 9.131
398 HB3 ASP 53 1HB ASP 53 6.943 10.967 7.711
399 H ARG 54 H ARG 54 5.630 8.651 5.966
400 HA ARG 54 HA ARG 54 6.163 6.477 6.077
401 HB2 ARG 54 2HB ARG 54 6.767 7.145 8.956
402 HB3 ARG 54 1HB ARG 54 7.100 5.579 8.243
403 HG2 ARG 54 2HG ARG 54 8.604 6.726 6.677
404 HG3 ARG 54 1HG ARG 54 8.309 8.220 7.580
405 HD2 ARG 54 2HD ARG 54 9.058 7.202 9.626
406 HD3 ARG 54 1HD ARG 54 9.254 5.652 8.814
407 HE ARG 54 HE ARG 54 10.743 7.910 7.849
408 HH11 ARG 54 1HH1 ARG 54 10.704 4.826 9.607
409 HH12 ARG 54 2HH1 ARG 54 12.389 4.640 9.629
410 HH21 ARG 54 1HH2 ARG 54 13.121 7.654 7.918
411 HH22 ARG 54 2HH2 ARG 54 13.792 6.283 8.679
412 H CYS 55 H CYS 55 3.322 7.294 6.736
413 HA CYS 55 HA CYS 55 2.443 5.510 8.756
414 HB2 CYS 55 2HB CYS 55 0.188 6.057 7.985
415 HB3 CYS 55 1HB CYS 55 1.184 7.495 8.192
416 H ASN 56 H ASN 56 2.976 5.088 5.338
417 HA ASN 56 HA ASN 56 1.366 2.702 5.354
418 HB2 ASN 56 2HB ASN 56 1.706 2.553 2.941
419 HB3 ASN 56 1HB ASN 56 1.222 4.182 3.374
420 HD21 ASN 56 1HD2 ASN 56 2.428 3.389 0.991
421 HD22 ASN 56 2HD2 ASN 56 3.974 4.136 0.847
422 H LYS 57 H LYS 57 2.773 1.900 7.030
423 HA LYS 57 HA LYS 57 4.879 0.311 5.826
424 HB2 LYS 57 2HB LYS 57 6.110 0.379 8.002
425 HB3 LYS 57 1HB LYS 57 6.003 1.926 7.184
426 HG2 LYS 57 2HG LYS 57 4.305 2.677 8.729
427 HG3 LYS 57 1HG LYS 57 4.274 1.092 9.508
428 HD2 LYS 57 2HD LYS 57 6.589 1.363 10.204
429 HD3 LYS 57 1HD LYS 57 6.683 2.909 9.365
430 HE2 LYS 57 2HE LYS 57 4.790 2.322 11.643
431 HE3 LYS 57 1HE LYS 57 6.363 3.086 11.842
432 HZ1 LYS 57 3HZ LYS 57 4.136 4.165 10.203
433 HZ2 LYS 57 1HZ LYS 57 5.631 4.903 10.471
434 HZ3 LYS 57 2HZ LYS 57 4.548 4.681 11.745
Start of MODEL 19
1 H1 LEU 1 1HT LEU 1 5.167 14.610 0.347
2 H2 LEU 1 2HT LEU 1 6.296 15.146 1.468
3 H3 LEU 1 3HT LEU 1 4.757 15.850 1.432
4 HA LEU 1 HA LEU 1 4.985 14.272 3.279
5 HB2 LEU 1 2HB LEU 1 2.885 14.464 1.573
6 HB3 LEU 1 1HB LEU 1 3.346 12.820 1.218
7 HG LEU 1 HG LEU 1 2.391 13.906 3.866
8 HD11 LEU 1 2HD1 LEU 1 1.139 11.954 1.961
9 HD12 LEU 1 3HD1 LEU 1 0.631 13.617 2.246
10 HD13 LEU 1 1HD1 LEU 1 0.495 12.420 3.533
11 HD21 LEU 1 1HD2 LEU 1 2.475 11.608 4.697
12 HD22 LEU 1 2HD2 LEU 1 4.083 12.188 4.260
13 HD23 LEU 1 3HD2 LEU 1 3.220 11.088 3.187
14 H LYS 2 H LYS 2 6.210 12.447 3.894
15 HA LYS 2 HA LYS 2 7.299 10.988 1.628
16 HB2 LYS 2 2HB LYS 2 9.250 10.444 3.161
17 HB3 LYS 2 1HB LYS 2 9.134 12.081 2.531
18 HG2 LYS 2 2HG LYS 2 8.270 12.830 4.678
19 HG3 LYS 2 1HG LYS 2 8.355 11.175 5.291
20 HD2 LYS 2 2HD LYS 2 10.758 11.141 4.937
21 HD3 LYS 2 1HD LYS 2 10.698 12.770 4.264
22 HE2 LYS 2 2HE LYS 2 9.987 13.659 6.390
23 HE3 LYS 2 1HE LYS 2 9.876 12.041 7.069
24 HZ1 LYS 2 3HZ LYS 2 12.252 11.787 6.789
25 HZ2 LYS 2 1HZ LYS 2 11.932 13.159 7.713
26 HZ3 LYS 2 2HZ LYS 2 12.377 13.311 6.099
27 H CYS 3 H CYS 3 6.845 9.002 1.321
28 HA CYS 3 HA CYS 3 6.234 7.267 3.562
29 HB2 CYS 3 2HB CYS 3 4.336 7.745 1.258
30 HB3 CYS 3 1HB CYS 3 4.196 6.400 2.387
31 H PHE 4 H PHE 4 5.935 4.930 2.791
32 HA PHE 4 HA PHE 4 8.331 4.360 1.298
33 HB2 PHE 4 2HB PHE 4 6.338 2.493 2.599
34 HB3 PHE 4 1HB PHE 4 7.879 2.021 1.905
35 HD1 PHE 4 2HD PHE 4 9.945 2.491 3.058
36 HD2 PHE 4 1HD PHE 4 6.205 3.621 4.714
37 HE1 PHE 4 2HE PHE 4 11.021 2.824 5.215
38 HE2 PHE 4 1HE PHE 4 7.269 3.955 6.889
39 HZ PHE 4 HZ PHE 4 9.685 3.560 7.160
40 H GLN 5 H GLN 5 7.625 5.028 -0.869
41 HA GLN 5 HA GLN 5 5.438 3.560 -2.022
42 HB2 GLN 5 2HB GLN 5 7.540 5.268 -3.304
43 HB3 GLN 5 1HB GLN 5 6.293 4.440 -4.208
44 HG2 GLN 5 2HG GLN 5 4.601 5.721 -2.830
45 HG3 GLN 5 1HG GLN 5 5.958 6.648 -2.196
46 HE21 GLN 5 1HE2 GLN 5 7.392 6.592 -4.773
47 HE22 GLN 5 2HE2 GLN 5 6.549 7.700 -5.773
48 H HIS 6 H HIS 6 8.930 3.281 -2.262
49 HA HIS 6 HA HIS 6 8.517 0.735 -3.696
50 HB2 HIS 6 2HB HIS 6 11.030 2.418 -3.457
51 HB3 HIS 6 1HB HIS 6 10.915 0.900 -4.335
52 HD1 HIS 6 1HD HIS 6 10.804 4.443 -4.927
53 HD2 HIS 6 2HD HIS 6 8.845 1.122 -6.477
54 HE1 HIS 6 1HE HIS 6 9.867 5.170 -7.142
55 H GLY 7 H GLY 7 8.389 1.472 -0.794
56 HA2 GLY 7 2HA GLY 7 8.809 0.113 1.099
57 HA3 GLY 7 1HA GLY 7 10.127 -0.649 0.206
58 H LYS 8 H LYS 8 10.651 2.266 -0.587
59 HA LYS 8 HA LYS 8 12.367 2.928 1.688
60 HB2 LYS 8 2HB LYS 8 12.499 3.857 -1.186
61 HB3 LYS 8 1HB LYS 8 13.634 4.296 0.081
62 HG2 LYS 8 2HG LYS 8 14.294 1.953 0.292
63 HG3 LYS 8 1HG LYS 8 13.171 1.527 -1.000
64 HD2 LYS 8 2HD LYS 8 14.405 2.995 -2.531
65 HD3 LYS 8 1HD LYS 8 15.537 3.380 -1.235
66 HE2 LYS 8 2HE LYS 8 15.044 0.641 -2.403
67 HE3 LYS 8 1HE LYS 8 16.432 1.672 -2.733
68 HZ1 LYS 8 3HZ LYS 8 16.926 -0.018 -1.097
69 HZ2 LYS 8 1HZ LYS 8 15.713 0.542 -0.089
70 HZ3 LYS 8 2HZ LYS 8 17.072 1.505 -0.406
71 H VAL 9 H VAL 9 12.418 5.109 2.361
72 HA VAL 9 HA VAL 9 9.857 6.410 2.330
73 HB VAL 9 HB VAL 9 12.477 7.443 3.462
74 HG11 VAL 9 1HG1 VAL 9 11.049 8.744 4.975
75 HG12 VAL 9 2HG1 VAL 9 9.625 8.155 4.110
76 HG13 VAL 9 3HG1 VAL 9 10.820 9.155 3.277
77 HG21 VAL 9 3HG2 VAL 9 12.017 5.263 4.426
78 HG22 VAL 9 1HG2 VAL 9 10.380 5.771 4.836
79 HG23 VAL 9 2HG2 VAL 9 11.760 6.529 5.628
80 H VAL 10 H VAL 10 9.317 7.485 0.512
81 HA VAL 10 HA VAL 10 11.374 9.155 -0.738
82 HB VAL 10 HB VAL 10 10.262 8.845 -2.905
83 HG11 VAL 10 1HG1 VAL 10 11.026 6.261 -1.564
84 HG12 VAL 10 2HG1 VAL 10 12.119 7.396 -2.356
85 HG13 VAL 10 3HG1 VAL 10 10.919 6.516 -3.304
86 HG21 VAL 10 3HG2 VAL 10 8.562 7.120 -3.198
87 HG22 VAL 10 1HG2 VAL 10 8.008 8.394 -2.115
88 HG23 VAL 10 2HG2 VAL 10 8.539 6.845 -1.455
89 H THR 11 H THR 11 10.667 11.088 -1.723
90 HA THR 11 HA THR 11 8.648 12.375 -0.154
91 HB THR 11 HB THR 11 10.344 13.466 -2.412
92 HG1 THR 11 1HG THR 11 11.342 12.649 -0.346
93 HG21 THR 11 3HG2 THR 11 8.698 14.863 -0.285
94 HG22 THR 11 1HG2 THR 11 8.335 14.818 -2.009
95 HG23 THR 11 2HG2 THR 11 9.770 15.670 -1.427
96 H CYS 12 H CYS 12 6.652 11.867 -0.704
97 HA CYS 12 HA CYS 12 5.704 11.792 -3.448
98 HB2 CYS 12 2HB CYS 12 4.200 11.711 -0.824
99 HB3 CYS 12 1HB CYS 12 3.629 11.163 -2.399
100 H HIS 13 H HIS 13 4.679 13.489 -4.387
101 HA HIS 13 HA HIS 13 5.314 16.035 -3.310
102 HB2 HIS 13 2HB HIS 13 5.261 15.330 -5.798
103 HB3 HIS 13 1HB HIS 13 3.521 15.582 -5.702
104 HD1 HIS 13 1HD HIS 13 2.885 17.899 -6.555
105 HD2 HIS 13 2HD HIS 13 6.649 17.780 -4.765
106 HE1 HIS 13 1HE HIS 13 3.808 20.235 -6.698
107 H ARG 14 H ARG 14 3.444 17.793 -3.578
108 HA ARG 14 HA ARG 14 1.757 17.208 -1.337
109 HB2 ARG 14 2HB ARG 14 1.762 19.683 -3.033
110 HB3 ARG 14 1HB ARG 14 1.146 19.517 -1.394
111 HG2 ARG 14 2HG ARG 14 3.438 19.041 -0.619
112 HG3 ARG 14 1HG ARG 14 4.018 19.321 -2.261
113 HD2 ARG 14 2HD ARG 14 2.692 21.294 -0.419
114 HD3 ARG 14 1HD ARG 14 4.349 21.299 -1.008
115 HE ARG 14 HE ARG 14 2.591 21.381 -3.199
116 HH11 ARG 14 1HH1 ARG 14 3.916 23.419 -0.646
117 HH12 ARG 14 2HH1 ARG 14 3.495 24.887 -1.391
118 HH21 ARG 14 1HH2 ARG 14 2.003 23.377 -4.244
119 HH22 ARG 14 2HH2 ARG 14 2.370 24.850 -3.500
120 H ASP 15 H ASP 15 1.400 16.670 -4.575
121 HA ASP 15 HA ASP 15 -1.424 17.093 -4.806
122 HB2 ASP 15 2HB ASP 15 0.464 15.340 -6.411
123 HB3 ASP 15 1HB ASP 15 -1.220 15.630 -6.823
124 H MET 16 H MET 16 0.779 14.722 -3.703
125 HA MET 16 HA MET 16 -1.202 12.677 -3.405
126 HB2 MET 16 2HB MET 16 1.759 12.821 -2.860
127 HB3 MET 16 1HB MET 16 0.826 11.447 -2.330
128 HG2 MET 16 2HG MET 16 1.798 10.855 -4.321
129 HG3 MET 16 1HG MET 16 0.086 11.136 -4.618
130 HE1 MET 16 3HE MET 16 1.964 10.846 -6.926
131 HE2 MET 16 1HE MET 16 1.537 12.206 -7.993
132 HE3 MET 16 2HE MET 16 0.273 11.331 -7.100
133 H LYS 17 H LYS 17 -2.582 13.160 -1.949
134 HA LYS 17 HA LYS 17 -1.811 14.428 0.554
135 HB2 LYS 17 2HB LYS 17 -4.516 13.587 -0.457
136 HB3 LYS 17 1HB LYS 17 -4.208 14.501 1.004
137 HG2 LYS 17 2HG LYS 17 -3.259 16.311 -0.415
138 HG3 LYS 17 1HG LYS 17 -3.775 15.392 -1.831
139 HD2 LYS 17 2HD LYS 17 -6.084 15.452 -1.043
140 HD3 LYS 17 1HD LYS 17 -5.583 16.339 0.389
141 HE2 LYS 17 2HE LYS 17 -4.765 18.160 -1.061
142 HE3 LYS 17 1HE LYS 17 -5.371 17.274 -2.460
143 HZ1 LYS 17 3HZ LYS 17 -7.028 18.293 -0.213
144 HZ2 LYS 17 1HZ LYS 17 -7.613 17.467 -1.578
145 HZ3 LYS 17 2HZ LYS 17 -6.913 18.974 -1.737
146 H PHE 18 H PHE 18 -2.269 11.308 -0.697
147 HA PHE 18 HA PHE 18 -2.575 10.299 2.032
148 HB2 PHE 18 2HB PHE 18 -4.130 9.246 -0.330
149 HB3 PHE 18 1HB PHE 18 -4.224 8.688 1.333
150 HD1 PHE 18 1HD PHE 18 -5.156 10.282 3.082
151 HD2 PHE 18 2HD PHE 18 -5.439 11.014 -1.093
152 HE1 PHE 18 1HE PHE 18 -6.995 11.851 3.487
153 HE2 PHE 18 2HE PHE 18 -7.285 12.591 -0.697
154 HZ PHE 18 HZ PHE 18 -8.063 13.014 1.599
155 H CYS 19 H CYS 19 -1.166 8.776 2.446
156 HA CYS 19 HA CYS 19 0.236 7.452 0.285
157 HB2 CYS 19 2HB CYS 19 0.585 7.243 3.286
158 HB3 CYS 19 1HB CYS 19 1.667 6.616 2.044
159 H TYR 20 H TYR 20 0.034 5.160 0.124
160 HA TYR 20 HA TYR 20 -2.138 4.109 1.739
161 HB2 TYR 20 2HB TYR 20 -3.069 2.916 -0.211
162 HB3 TYR 20 1HB TYR 20 -3.175 4.660 -0.342
163 HD1 TYR 20 1HD TYR 20 -1.797 5.848 -1.983
164 HD2 TYR 20 2HD TYR 20 -1.758 1.610 -1.763
165 HE1 TYR 20 1HE TYR 20 -0.791 5.743 -4.220
166 HE2 TYR 20 2HE TYR 20 -0.751 1.497 -3.996
167 HH TYR 20 HH TYR 20 0.573 4.202 -5.531
168 H HIS 21 H HIS 21 -2.265 1.918 1.928
169 HA HIS 21 HA HIS 21 0.082 0.380 1.228
170 HB2 HIS 21 2HB HIS 21 0.432 1.172 3.560
171 HB3 HIS 21 1HB HIS 21 -1.142 0.535 4.005
172 HD1 HIS 21 1HD HIS 21 -0.619 -1.410 5.534
173 HD2 HIS 21 2HD HIS 21 1.824 -1.319 2.170
174 HE1 HIS 21 1HE HIS 21 0.732 -3.502 5.620
175 H ASN 22 H ASN 22 -0.934 -0.893 -0.176
176 HA ASN 22 HA ASN 22 -3.387 -2.258 0.667
177 HB2 ASN 22 2HB ASN 22 -3.545 -1.007 -1.449
178 HB3 ASN 22 1HB ASN 22 -2.127 -1.859 -2.045
179 HD21 ASN 22 1HD2 ASN 22 -5.463 -2.077 -1.304
180 HD22 ASN 22 2HD2 ASN 22 -5.809 -3.524 -2.190
181 H THR 23 H THR 23 -2.664 -3.889 1.790
182 HA THR 23 HA THR 23 -0.183 -5.141 1.043
183 HB THR 23 HB THR 23 -0.272 -4.494 3.311
184 HG1 THR 23 1HG THR 23 -0.248 -6.677 4.344
185 HG21 THR 23 3HG2 THR 23 -2.802 -6.132 3.586
186 HG22 THR 23 1HG2 THR 23 -2.666 -4.375 3.680
187 HG23 THR 23 2HG2 THR 23 -1.931 -5.379 4.925
188 H GLY 24 H GLY 24 0.156 -7.158 0.480
189 HA2 GLY 24 2HA GLY 24 -1.985 -8.499 -0.821
190 HA3 GLY 24 1HA GLY 24 -0.321 -9.046 -0.694
191 H MET 25 H MET 25 -3.164 -10.106 -0.238
192 HA MET 25 HA MET 25 -3.340 -11.093 2.376
193 HB2 MET 25 2HB MET 25 -4.330 -12.269 -0.240
194 HB3 MET 25 1HB MET 25 -4.773 -12.892 1.334
195 HG2 MET 25 2HG MET 25 -6.569 -11.560 0.513
196 HG3 MET 25 1HG MET 25 -5.813 -10.690 1.842
197 HE1 MET 25 3HE MET 25 -7.028 -7.813 -0.485
198 HE2 MET 25 1HE MET 25 -7.046 -8.483 1.144
199 HE3 MET 25 2HE MET 25 -7.838 -9.350 -0.171
200 HA PRO 26 HA PRO 26 -0.184 -14.196 2.665
201 HB2 PRO 26 2HB PRO 26 -1.592 -16.335 3.701
202 HB3 PRO 26 1HB PRO 26 -0.964 -14.993 4.662
203 HG2 PRO 26 2HG PRO 26 -3.714 -15.409 3.558
204 HG3 PRO 26 1HG PRO 26 -3.236 -14.823 5.161
205 HD2 PRO 26 2HD PRO 26 -4.058 -13.118 3.303
206 HD3 PRO 26 1HD PRO 26 -2.685 -12.703 4.347
207 H PHE 27 H PHE 27 0.470 -14.778 0.736
208 HA PHE 27 HA PHE 27 -0.690 -17.185 -0.426
209 HB2 PHE 27 2HB PHE 27 0.321 -14.741 -1.879
210 HB3 PHE 27 1HB PHE 27 0.117 -16.299 -2.671
211 HD1 PHE 27 1HD PHE 27 -2.286 -17.282 -2.626
212 HD2 PHE 27 2HD PHE 27 -1.385 -13.199 -1.845
213 HE1 PHE 27 1HE PHE 27 -4.602 -16.663 -3.194
214 HE2 PHE 27 2HE PHE 27 -3.701 -12.577 -2.409
215 HZ PHE 27 HZ PHE 27 -5.310 -14.316 -3.083
216 H ARG 28 H ARG 28 0.900 -18.634 -1.138
217 HA ARG 28 HA ARG 28 3.389 -18.311 0.188
218 HB2 ARG 28 2HB ARG 28 2.463 -20.451 -1.728
219 HB3 ARG 28 1HB ARG 28 4.001 -20.479 -0.884
220 HG2 ARG 28 2HG ARG 28 2.721 -20.423 1.271
221 HG3 ARG 28 1HG ARG 28 1.251 -20.623 0.320
222 HD2 ARG 28 2HD ARG 28 2.060 -22.757 1.204
223 HD3 ARG 28 1HD ARG 28 2.088 -22.730 -0.559
224 HE ARG 28 HE ARG 28 4.556 -22.049 -0.141
225 HH11 ARG 28 1HH1 ARG 28 2.772 -24.432 1.753
226 HH12 ARG 28 2HH1 ARG 28 4.136 -25.393 2.072
227 HH21 ARG 28 1HH2 ARG 28 6.390 -23.349 0.273
228 HH22 ARG 28 2HH2 ARG 28 6.267 -24.774 1.200
229 H ASN 29 H ASN 29 4.982 -17.199 -0.455
230 HA ASN 29 HA ASN 29 6.606 -16.240 -1.641
231 HB2 ASN 29 2HB ASN 29 5.670 -18.065 -3.815
232 HB3 ASN 29 1HB ASN 29 6.991 -16.931 -4.056
233 HD21 ASN 29 1HD2 ASN 29 8.488 -18.473 -4.408
234 HD22 ASN 29 2HD2 ASN 29 9.067 -19.577 -3.214
235 H LEU 30 H LEU 30 3.446 -15.677 -2.244
236 HA LEU 30 HA LEU 30 4.135 -13.564 -4.169
237 HB2 LEU 30 2HB LEU 30 2.595 -15.320 -5.077
238 HB3 LEU 30 1HB LEU 30 1.447 -14.879 -3.827
239 HG LEU 30 HG LEU 30 1.345 -12.587 -4.789
240 HD11 LEU 30 1HD1 LEU 30 3.474 -12.580 -5.959
241 HD12 LEU 30 2HD1 LEU 30 2.139 -12.226 -7.052
242 HD13 LEU 30 3HD1 LEU 30 2.884 -13.825 -7.060
243 HD21 LEU 30 3HD2 LEU 30 -0.082 -13.219 -6.676
244 HD22 LEU 30 1HD2 LEU 30 -0.375 -14.245 -5.272
245 HD23 LEU 30 2HD2 LEU 30 0.575 -14.854 -6.627
246 H LYS 31 H LYS 31 4.042 -11.622 -3.314
247 HA LYS 31 HA LYS 31 1.821 -11.059 -1.603
248 HB2 LYS 31 2HB LYS 31 3.111 -9.696 -0.001
249 HB3 LYS 31 1HB LYS 31 3.619 -11.364 0.038
250 HG2 LYS 31 2HG LYS 31 5.121 -9.157 -1.364
251 HG3 LYS 31 1HG LYS 31 5.442 -9.685 0.279
252 HD2 LYS 31 2HD LYS 31 5.928 -11.959 -0.627
253 HD3 LYS 31 1HD LYS 31 5.729 -11.302 -2.251
254 HE2 LYS 31 2HE LYS 31 8.087 -11.364 -1.659
255 HE3 LYS 31 1HE LYS 31 7.539 -9.698 -1.813
256 HZ1 LYS 31 3HZ LYS 31 7.872 -11.152 0.766
257 HZ2 LYS 31 1HZ LYS 31 7.388 -9.549 0.599
258 HZ3 LYS 31 2HZ LYS 31 8.934 -10.006 0.148
259 H LEU 32 H LEU 32 0.812 -10.111 -3.153
260 HA LEU 32 HA LEU 32 2.072 -8.107 -4.734
261 HB2 LEU 32 2HB LEU 32 -0.050 -7.884 -5.893
262 HB3 LEU 32 1HB LEU 32 0.289 -9.575 -5.634
263 HG LEU 32 HG LEU 32 -1.718 -7.969 -4.037
264 HD11 LEU 32 1HD1 LEU 32 -3.407 -9.196 -5.298
265 HD12 LEU 32 2HD1 LEU 32 -2.133 -9.917 -6.285
266 HD13 LEU 32 3HD1 LEU 32 -2.410 -8.177 -6.333
267 HD21 LEU 32 3HD2 LEU 32 -0.864 -9.855 -2.777
268 HD22 LEU 32 1HD2 LEU 32 -1.186 -10.946 -4.130
269 HD23 LEU 32 2HD2 LEU 32 -2.527 -10.170 -3.279
270 H ILE 33 H ILE 33 2.557 -6.305 -3.922
271 HA ILE 33 HA ILE 33 0.907 -5.182 -1.785
272 HB ILE 33 HB ILE 33 2.882 -6.125 -0.782
273 HG12 ILE 33 2HG1 ILE 33 4.015 -4.092 0.172
274 HG13 ILE 33 1HG1 ILE 33 3.075 -3.140 -0.972
275 HG21 ILE 33 1HG2 ILE 33 4.368 -6.287 -2.653
276 HG22 ILE 33 2HG2 ILE 33 5.157 -5.428 -1.320
277 HG23 ILE 33 3HG2 ILE 33 4.535 -4.528 -2.701
278 HD11 ILE 33 3HD1 ILE 33 1.039 -3.862 0.040
279 HD12 ILE 33 1HD1 ILE 33 2.107 -3.162 1.252
280 HD13 ILE 33 2HD1 ILE 33 1.930 -4.915 1.151
281 H LEU 34 H LEU 34 0.072 -3.311 -2.316
282 HA LEU 34 HA LEU 34 1.610 -1.595 -4.124
283 HB2 LEU 34 2HB LEU 34 -1.405 -1.579 -3.756
284 HB3 LEU 34 1HB LEU 34 -0.485 -0.558 -4.826
285 HG LEU 34 HG LEU 34 -0.789 -3.539 -5.101
286 HD11 LEU 34 1HD1 LEU 34 -2.852 -2.328 -5.537
287 HD12 LEU 34 2HD1 LEU 34 -2.172 -2.976 -7.029
288 HD13 LEU 34 3HD1 LEU 34 -2.004 -1.260 -6.655
289 HD21 LEU 34 3HD2 LEU 34 1.347 -2.749 -5.985
290 HD22 LEU 34 1HD2 LEU 34 0.509 -1.505 -6.916
291 HD23 LEU 34 2HD2 LEU 34 0.253 -3.210 -7.288
292 H GLN 35 H GLN 35 2.663 -0.353 -2.706
293 HA GLN 35 HA GLN 35 0.998 1.181 -0.902
294 HB2 GLN 35 2HB GLN 35 2.846 1.086 0.825
295 HB3 GLN 35 1HB GLN 35 1.946 -0.403 0.542
296 HG2 GLN 35 2HG GLN 35 3.653 -1.241 -0.816
297 HG3 GLN 35 1HG GLN 35 4.599 0.242 -0.640
298 HE21 GLN 35 1HE2 GLN 35 3.914 0.419 2.271
299 HE22 GLN 35 2HE2 GLN 35 4.853 -0.782 3.034
300 H GLY 36 H GLY 36 1.038 3.086 -1.757
301 HA2 GLY 36 2HA GLY 36 3.626 4.283 -2.094
302 HA3 GLY 36 1HA GLY 36 2.581 4.275 -3.516
303 H CYS 37 H CYS 37 2.251 6.423 -3.668
304 HA CYS 37 HA CYS 37 0.656 7.617 -1.540
305 HB2 CYS 37 2HB CYS 37 2.841 9.011 -3.110
306 HB3 CYS 37 1HB CYS 37 1.759 9.764 -1.946
307 H SER 38 H SER 38 -1.127 8.618 -2.275
308 HA SER 38 HA SER 38 -1.351 8.961 -5.159
309 HB2 SER 38 2HB SER 38 -2.451 6.836 -4.513
310 HB3 SER 38 1HB SER 38 -3.444 7.713 -3.356
311 HG SER 38 HG SER 38 -4.305 7.194 -5.520
312 H SER 39 H SER 39 -3.155 10.347 -5.686
313 HA SER 39 HA SER 39 -3.199 12.682 -4.010
314 HB2 SER 39 2HB SER 39 -2.902 12.811 -6.468
315 HB3 SER 39 1HB SER 39 -4.498 12.118 -6.704
316 HG SER 39 HG SER 39 -3.872 14.544 -5.386
317 H SER 40 H SER 40 -5.062 9.866 -4.399
318 HA SER 40 HA SER 40 -7.176 10.989 -2.756
319 HB2 SER 40 2HB SER 40 -7.664 9.365 -5.273
320 HB3 SER 40 1HB SER 40 -8.903 9.953 -4.161
321 HG SER 40 HG SER 40 -7.491 12.027 -4.762
322 H CYS 41 H CYS 41 -8.481 9.130 -1.786
323 HA CYS 41 HA CYS 41 -6.643 6.948 -1.203
324 HB2 CYS 41 2HB CYS 41 -7.486 8.113 0.761
325 HB3 CYS 41 1HB CYS 41 -9.146 7.906 0.217
326 H SER 42 H SER 42 -7.014 4.975 -1.987
327 HA SER 42 HA SER 42 -9.321 4.489 -3.581
328 HB2 SER 42 2HB SER 42 -7.117 3.570 -4.170
329 HB3 SER 42 1HB SER 42 -7.138 2.631 -2.667
330 HG SER 42 HG SER 42 -8.135 1.180 -3.706
331 H GLU 43 H GLU 43 -11.081 4.239 -2.589
332 HA GLU 43 HA GLU 43 -11.207 3.210 0.081
333 HB2 GLU 43 2HB GLU 43 -13.653 3.640 -0.041
334 HB3 GLU 43 1HB GLU 43 -12.670 5.051 -0.378
335 HG2 GLU 43 2HG GLU 43 -13.076 4.809 -2.733
336 HG3 GLU 43 1HG GLU 43 -13.966 3.310 -2.431
337 H THR 44 H THR 44 -11.203 1.285 0.535
338 HA THR 44 HA THR 44 -12.929 -0.669 -0.350
339 HB THR 44 HB THR 44 -11.495 -0.660 -2.402
340 HG1 THR 44 1HG THR 44 -12.335 -2.626 -1.868
341 HG21 THR 44 3HG2 THR 44 -9.149 -1.413 -2.277
342 HG22 THR 44 1HG2 THR 44 -9.252 -1.359 -0.514
343 HG23 THR 44 2HG2 THR 44 -9.408 0.128 -1.457
344 H GLU 45 H GLU 45 -11.561 -2.897 0.498
345 HA GLU 45 HA GLU 45 -11.334 -2.123 3.279
346 HB2 GLU 45 2HB GLU 45 -11.550 -4.455 3.873
347 HB3 GLU 45 1HB GLU 45 -12.809 -4.017 2.741
348 HG2 GLU 45 2HG GLU 45 -10.326 -5.635 2.139
349 HG3 GLU 45 1HG GLU 45 -11.964 -6.255 2.296
350 H ASN 46 H ASN 46 -9.371 -3.672 0.849
351 HA ASN 46 HA ASN 46 -7.304 -4.289 2.726
352 HB2 ASN 46 2HB ASN 46 -7.795 -5.694 0.759
353 HB3 ASN 46 1HB ASN 46 -7.184 -4.407 -0.276
354 HD21 ASN 46 1HD2 ASN 46 -5.533 -5.730 -1.091
355 HD22 ASN 46 2HD2 ASN 46 -4.181 -6.169 -0.108
356 H ASN 47 H ASN 47 -7.910 -1.531 0.663
357 HA ASN 47 HA ASN 47 -5.114 -0.782 0.784
358 HB2 ASN 47 2HB ASN 47 -6.178 -0.492 -1.337
359 HB3 ASN 47 1HB ASN 47 -7.463 0.482 -0.624
360 HD21 ASN 47 1HD2 ASN 47 -7.037 2.602 -0.104
361 HD22 ASN 47 2HD2 ASN 47 -5.594 3.403 -0.630
362 H LYS 48 H LYS 48 -4.549 0.043 2.591
363 HA LYS 48 HA LYS 48 -6.388 1.751 4.077
364 HB2 LYS 48 2HB LYS 48 -3.572 0.905 4.775
365 HB3 LYS 48 1HB LYS 48 -4.713 1.702 5.853
366 HG2 LYS 48 2HG LYS 48 -4.826 -1.072 4.737
367 HG3 LYS 48 1HG LYS 48 -4.562 -0.581 6.420
368 HD2 LYS 48 2HD LYS 48 -6.857 0.331 6.470
369 HD3 LYS 48 1HD LYS 48 -7.097 -0.228 4.812
370 HE2 LYS 48 2HE LYS 48 -6.598 -2.541 5.595
371 HE3 LYS 48 1HE LYS 48 -6.566 -1.920 7.244
372 HZ1 LYS 48 3HZ LYS 48 -8.875 -1.999 5.389
373 HZ2 LYS 48 1HZ LYS 48 -8.903 -1.164 6.863
374 HZ3 LYS 48 2HZ LYS 48 -8.694 -2.825 6.831
375 H CYS 49 H CYS 49 -5.940 3.878 4.464
376 HA CYS 49 HA CYS 49 -3.671 4.990 3.006
377 HB2 CYS 49 2HB CYS 49 -5.045 6.861 2.138
378 HB3 CYS 49 1HB CYS 49 -5.519 5.300 1.484
379 H CYS 50 H CYS 50 -2.667 6.639 3.879
380 HA CYS 50 HA CYS 50 -3.710 7.803 6.314
381 HB2 CYS 50 2HB CYS 50 -1.468 7.352 7.356
382 HB3 CYS 50 1HB CYS 50 -2.464 5.920 7.083
383 H SER 51 H SER 51 -2.391 9.826 6.870
384 HA SER 51 HA SER 51 -1.201 10.859 4.395
385 HB2 SER 51 2HB SER 51 -3.075 12.263 6.294
386 HB3 SER 51 1HB SER 51 -2.336 12.969 4.847
387 HG SER 51 HG SER 51 -3.498 11.731 3.600
388 H THR 52 H THR 52 0.535 9.826 6.376
389 HA THR 52 HA THR 52 1.883 12.249 7.042
390 HB THR 52 HB THR 52 0.541 11.973 9.047
391 HG1 THR 52 1HG THR 52 2.111 12.554 10.255
392 HG21 THR 52 3HG2 THR 52 1.926 9.315 9.421
393 HG22 THR 52 1HG2 THR 52 0.225 9.521 8.987
394 HG23 THR 52 2HG2 THR 52 0.810 10.073 10.556
395 H ASP 53 H ASP 53 3.925 11.803 8.062
396 HA ASP 53 HA ASP 53 5.567 10.462 6.235
397 HB2 ASP 53 2HB ASP 53 6.735 12.093 7.290
398 HB3 ASP 53 1HB ASP 53 6.070 11.735 8.886
399 H ARG 54 H ARG 54 5.991 8.512 5.856
400 HA ARG 54 HA ARG 54 6.435 6.289 5.983
401 HB2 ARG 54 2HB ARG 54 7.056 7.032 8.811
402 HB3 ARG 54 1HB ARG 54 7.430 5.471 8.117
403 HG2 ARG 54 2HG ARG 54 8.950 6.502 6.551
404 HG3 ARG 54 1HG ARG 54 8.470 8.102 7.111
405 HD2 ARG 54 2HD ARG 54 9.713 5.988 8.833
406 HD3 ARG 54 1HD ARG 54 10.561 7.413 8.208
407 HE ARG 54 HE ARG 54 8.712 8.679 9.389
408 HH11 ARG 54 1HH1 ARG 54 10.207 5.751 10.698
409 HH12 ARG 54 2HH1 ARG 54 9.632 6.016 12.276
410 HH21 ARG 54 1HH2 ARG 54 7.921 9.009 11.485
411 HH22 ARG 54 2HH2 ARG 54 8.294 7.912 12.753
412 H CYS 55 H CYS 55 3.646 7.272 6.780
413 HA CYS 55 HA CYS 55 2.779 5.574 8.879
414 HB2 CYS 55 2HB CYS 55 0.537 6.252 8.222
415 HB3 CYS 55 1HB CYS 55 1.633 7.631 8.309
416 H ASN 56 H ASN 56 3.189 5.039 5.487
417 HA ASN 56 HA ASN 56 1.265 2.869 5.432
418 HB2 ASN 56 2HB ASN 56 1.583 2.796 3.042
419 HB3 ASN 56 1HB ASN 56 1.440 4.474 3.524
420 HD21 ASN 56 1HD2 ASN 56 2.527 3.310 1.166
421 HD22 ASN 56 2HD2 ASN 56 4.182 3.772 1.023
422 H LYS 57 H LYS 57 3.581 2.612 7.078
423 HA LYS 57 HA LYS 57 5.282 0.702 5.746
424 HB2 LYS 57 2HB LYS 57 6.517 0.553 7.904
425 HB3 LYS 57 1HB LYS 57 6.447 2.170 7.239
426 HG2 LYS 57 2HG LYS 57 4.729 2.771 8.845
427 HG3 LYS 57 1HG LYS 57 4.723 1.124 9.470
428 HD2 LYS 57 2HD LYS 57 7.085 1.386 10.125
429 HD3 LYS 57 1HD LYS 57 7.052 3.044 9.525
430 HE2 LYS 57 2HE LYS 57 6.769 2.998 11.943
431 HE3 LYS 57 1HE LYS 57 5.316 3.600 11.151
432 HZ1 LYS 57 3HZ LYS 57 5.693 0.828 12.154
433 HZ2 LYS 57 1HZ LYS 57 4.290 1.440 11.436
434 HZ3 LYS 57 2HZ LYS 57 4.804 2.038 12.918
Start of MODEL 20
1 H1 LEU 1 1HT LEU 1 3.483 15.270 2.063
2 H2 LEU 1 2HT LEU 1 4.057 14.413 0.721
3 H3 LEU 1 3HT LEU 1 5.131 15.208 1.722
4 HA LEU 1 HA LEU 1 4.633 13.770 3.538
5 HB2 LEU 1 2HB LEU 1 2.670 12.635 1.597
6 HB3 LEU 1 1HB LEU 1 3.354 11.630 2.852
7 HG LEU 1 HG LEU 1 1.740 14.139 3.320
8 HD11 LEU 1 2HD1 LEU 1 0.052 12.561 4.138
9 HD12 LEU 1 3HD1 LEU 1 1.103 11.221 3.666
10 HD13 LEU 1 1HD1 LEU 1 0.426 12.278 2.432
11 HD21 LEU 1 1HD2 LEU 1 1.787 13.353 5.667
12 HD22 LEU 1 2HD2 LEU 1 3.384 13.787 5.059
13 HD23 LEU 1 3HD2 LEU 1 2.927 12.095 5.179
14 H LYS 2 H LYS 2 6.029 12.225 3.923
15 HA LYS 2 HA LYS 2 7.292 11.091 1.594
16 HB2 LYS 2 2HB LYS 2 9.301 10.736 3.107
17 HB3 LYS 2 1HB LYS 2 8.925 12.408 2.730
18 HG2 LYS 2 2HG LYS 2 7.811 12.584 4.961
19 HG3 LYS 2 1HG LYS 2 8.369 10.949 5.316
20 HD2 LYS 2 2HD LYS 2 10.688 11.661 5.027
21 HD3 LYS 2 1HD LYS 2 10.151 13.282 4.606
22 HE2 LYS 2 2HE LYS 2 10.900 13.273 6.898
23 HE3 LYS 2 1HE LYS 2 9.157 13.500 6.864
24 HZ1 LYS 2 3HZ LYS 2 9.949 11.933 8.567
25 HZ2 LYS 2 1HZ LYS 2 10.502 10.900 7.386
26 HZ3 LYS 2 2HZ LYS 2 8.835 11.222 7.576
27 H CYS 3 H CYS 3 6.877 9.011 1.247
28 HA CYS 3 HA CYS 3 6.299 7.297 3.507
29 HB2 CYS 3 2HB CYS 3 4.334 7.764 1.252
30 HB3 CYS 3 1HB CYS 3 4.220 6.422 2.391
31 H PHE 4 H PHE 4 5.950 4.961 2.778
32 HA PHE 4 HA PHE 4 8.334 4.280 1.339
33 HB2 PHE 4 2HB PHE 4 6.159 2.521 2.504
34 HB3 PHE 4 1HB PHE 4 7.702 1.956 1.888
35 HD1 PHE 4 1HD PHE 4 9.750 2.409 3.119
36 HD2 PHE 4 2HD PHE 4 5.959 3.523 4.700
37 HE1 PHE 4 1HE PHE 4 10.744 2.633 5.347
38 HE2 PHE 4 2HE PHE 4 6.948 3.766 6.915
39 HZ PHE 4 HZ PHE 4 9.341 3.314 7.260
40 H GLN 5 H GLN 5 7.805 5.035 -0.791
41 HA GLN 5 HA GLN 5 5.533 3.807 -2.122
42 HB2 GLN 5 2HB GLN 5 6.209 6.126 -2.657
43 HB3 GLN 5 1HB GLN 5 7.694 5.506 -3.357
44 HG2 GLN 5 2HG GLN 5 6.348 4.252 -5.011
45 HG3 GLN 5 1HG GLN 5 4.894 4.977 -4.336
46 HE21 GLN 5 1HE2 GLN 5 7.957 6.613 -4.795
47 HE22 GLN 5 2HE2 GLN 5 7.405 7.714 -6.004
48 H HIS 6 H HIS 6 9.045 3.461 -2.373
49 HA HIS 6 HA HIS 6 8.541 1.128 -4.092
50 HB2 HIS 6 2HB HIS 6 10.223 2.832 -4.862
51 HB3 HIS 6 1HB HIS 6 11.223 2.424 -3.470
52 HD1 HIS 6 1HD HIS 6 13.155 1.055 -4.339
53 HD2 HIS 6 2HD HIS 6 9.567 0.144 -6.230
54 HE1 HIS 6 1HE HIS 6 13.673 -0.803 -5.939
55 H GLY 7 H GLY 7 8.808 1.851 -1.003
56 HA2 GLY 7 2HA GLY 7 8.709 -0.062 0.561
57 HA3 GLY 7 1HA GLY 7 10.164 -0.652 -0.253
58 H LYS 8 H LYS 8 11.098 2.045 -0.628
59 HA LYS 8 HA LYS 8 12.056 2.632 2.067
60 HB2 LYS 8 2HB LYS 8 13.803 3.923 0.967
61 HB3 LYS 8 1HB LYS 8 13.727 2.315 0.265
62 HG2 LYS 8 2HG LYS 8 12.475 3.218 -1.645
63 HG3 LYS 8 1HG LYS 8 12.592 4.828 -0.937
64 HD2 LYS 8 2HD LYS 8 15.042 4.668 -1.035
65 HD3 LYS 8 1HD LYS 8 14.895 3.092 -1.819
66 HE2 LYS 8 2HE LYS 8 13.633 4.163 -3.643
67 HE3 LYS 8 1HE LYS 8 13.866 5.721 -2.856
68 HZ1 LYS 8 3HZ LYS 8 15.475 5.417 -4.589
69 HZ2 LYS 8 1HZ LYS 8 15.984 3.956 -3.919
70 HZ3 LYS 8 2HZ LYS 8 16.278 5.394 -3.098
71 H VAL 9 H VAL 9 12.162 4.962 2.623
72 HA VAL 9 HA VAL 9 9.628 6.206 2.118
73 HB VAL 9 HB VAL 9 11.998 7.305 3.634
74 HG11 VAL 9 1HG1 VAL 9 10.301 8.677 4.782
75 HG12 VAL 9 2HG1 VAL 9 9.079 8.028 3.689
76 HG13 VAL 9 3HG1 VAL 9 10.410 8.995 3.052
77 HG21 VAL 9 3HG2 VAL 9 11.349 5.175 4.592
78 HG22 VAL 9 1HG2 VAL 9 9.670 5.704 4.671
79 HG23 VAL 9 2HG2 VAL 9 10.891 6.498 5.666
80 H VAL 10 H VAL 10 9.283 7.440 0.414
81 HA VAL 10 HA VAL 10 11.485 9.087 -0.573
82 HB VAL 10 HB VAL 10 10.672 8.876 -2.842
83 HG11 VAL 10 1HG1 VAL 10 11.135 6.514 -3.296
84 HG12 VAL 10 2HG1 VAL 10 10.926 6.158 -1.581
85 HG13 VAL 10 3HG1 VAL 10 12.255 7.186 -2.107
86 HG21 VAL 10 3HG2 VAL 10 8.286 8.673 -2.372
87 HG22 VAL 10 1HG2 VAL 10 8.539 7.043 -1.753
88 HG23 VAL 10 2HG2 VAL 10 8.833 7.400 -3.460
89 H THR 11 H THR 11 10.841 11.125 -1.410
90 HA THR 11 HA THR 11 8.666 12.245 0.048
91 HB THR 11 HB THR 11 10.342 13.568 -2.094
92 HG1 THR 11 1HG THR 11 11.561 14.199 -0.046
93 HG21 THR 11 3HG2 THR 11 8.368 14.806 -1.249
94 HG22 THR 11 1HG2 THR 11 9.879 15.586 -0.776
95 HG23 THR 11 2HG2 THR 11 8.979 14.625 0.395
96 H CYS 12 H CYS 12 6.646 11.962 -0.669
97 HA CYS 12 HA CYS 12 6.020 11.558 -3.456
98 HB2 CYS 12 2HB CYS 12 4.254 11.728 -0.985
99 HB3 CYS 12 1HB CYS 12 3.735 11.195 -2.589
100 H HIS 13 H HIS 13 4.505 12.930 -4.621
101 HA HIS 13 HA HIS 13 5.408 15.651 -4.420
102 HB2 HIS 13 2HB HIS 13 4.908 14.228 -6.549
103 HB3 HIS 13 1HB HIS 13 3.241 14.687 -6.270
104 HD1 HIS 13 1HD HIS 13 2.547 16.762 -7.538
105 HD2 HIS 13 2HD HIS 13 6.638 16.647 -6.771
106 HE1 HIS 13 1HE HIS 13 3.506 18.809 -8.585
107 H ARG 14 H ARG 14 3.844 17.471 -4.601
108 HA ARG 14 HA ARG 14 2.298 17.867 -2.351
109 HB2 ARG 14 2HB ARG 14 1.405 19.843 -3.439
110 HB3 ARG 14 1HB ARG 14 3.121 19.685 -3.794
111 HG2 ARG 14 2HG ARG 14 2.630 18.832 -5.997
112 HG3 ARG 14 1HG ARG 14 0.908 18.819 -5.643
113 HD2 ARG 14 2HD ARG 14 0.988 21.274 -5.391
114 HD3 ARG 14 1HD ARG 14 2.692 21.238 -5.859
115 HE ARG 14 HE ARG 14 1.353 19.896 -7.848
116 HH11 ARG 14 1HH1 ARG 14 1.149 23.169 -6.516
117 HH12 ARG 14 2HH1 ARG 14 0.658 23.865 -7.993
118 HH21 ARG 14 1HH2 ARG 14 0.658 20.860 -9.836
119 HH22 ARG 14 2HH2 ARG 14 0.352 22.530 -9.901
120 H ASP 15 H ASP 15 1.329 16.385 -5.350
121 HA ASP 15 HA ASP 15 -1.493 16.764 -5.110
122 HB2 ASP 15 2HB ASP 15 -0.035 14.541 -6.573
123 HB3 ASP 15 1HB ASP 15 -1.692 15.053 -6.837
124 H MET 16 H MET 16 0.841 14.583 -3.918
125 HA MET 16 HA MET 16 -1.063 12.578 -3.143
126 HB2 MET 16 2HB MET 16 1.923 12.742 -3.160
127 HB3 MET 16 1HB MET 16 1.126 11.447 -2.302
128 HG2 MET 16 2HG MET 16 1.677 10.622 -4.402
129 HG3 MET 16 1HG MET 16 -0.060 10.902 -4.398
130 HE1 MET 16 3HE MET 16 0.228 11.733 -7.972
131 HE2 MET 16 1HE MET 16 -0.778 11.184 -6.619
132 HE3 MET 16 2HE MET 16 0.731 10.351 -6.970
133 H LYS 17 H LYS 17 -2.211 13.174 -1.523
134 HA LYS 17 HA LYS 17 -0.897 14.299 0.843
135 HB2 LYS 17 2HB LYS 17 -3.744 14.431 -0.117
136 HB3 LYS 17 1HB LYS 17 -3.187 15.104 1.414
137 HG2 LYS 17 2HG LYS 17 -1.717 16.633 0.196
138 HG3 LYS 17 1HG LYS 17 -2.247 15.916 -1.328
139 HD2 LYS 17 2HD LYS 17 -4.530 16.657 -0.890
140 HD3 LYS 17 1HD LYS 17 -4.015 17.356 0.644
141 HE2 LYS 17 2HE LYS 17 -4.204 19.061 -1.124
142 HE3 LYS 17 1HE LYS 17 -2.555 18.913 -0.522
143 HZ1 LYS 17 3HZ LYS 17 -2.768 19.081 -2.966
144 HZ2 LYS 17 1HZ LYS 17 -3.548 17.609 -2.994
145 HZ3 LYS 17 2HZ LYS 17 -1.923 17.722 -2.490
146 H PHE 18 H PHE 18 -2.006 11.444 -0.374
147 HA PHE 18 HA PHE 18 -2.551 10.396 2.293
148 HB2 PHE 18 2HB PHE 18 -4.165 9.746 -0.197
149 HB3 PHE 18 1HB PHE 18 -4.346 8.960 1.367
150 HD1 PHE 18 1HD PHE 18 -5.370 10.145 3.241
151 HD2 PHE 18 2HD PHE 18 -5.027 11.961 -0.598
152 HE1 PHE 18 1HE PHE 18 -6.959 11.883 3.919
153 HE2 PHE 18 2HE PHE 18 -6.601 13.700 0.065
154 HZ PHE 18 HZ PHE 18 -7.583 13.675 2.338
155 H CYS 19 H CYS 19 -1.250 8.755 2.674
156 HA CYS 19 HA CYS 19 0.174 7.537 0.451
157 HB2 CYS 19 2HB CYS 19 0.573 7.272 3.447
158 HB3 CYS 19 1HB CYS 19 1.631 6.604 2.205
159 H TYR 20 H TYR 20 -0.011 5.314 0.024
160 HA TYR 20 HA TYR 20 -2.147 4.050 1.535
161 HB2 TYR 20 2HB TYR 20 -3.006 2.947 -0.480
162 HB3 TYR 20 1HB TYR 20 -3.107 4.691 -0.601
163 HD1 TYR 20 2HD TYR 20 -1.350 1.676 -1.870
164 HD2 TYR 20 1HD TYR 20 -1.965 5.847 -2.339
165 HE1 TYR 20 2HE TYR 20 -0.266 1.576 -4.070
166 HE2 TYR 20 1HE TYR 20 -0.889 5.761 -4.550
167 HH TYR 20 HH TYR 20 -0.194 2.876 -6.180
168 H HIS 21 H HIS 21 -2.095 1.962 1.817
169 HA HIS 21 HA HIS 21 0.285 0.472 1.023
170 HB2 HIS 21 2HB HIS 21 0.670 1.243 3.337
171 HB3 HIS 21 1HB HIS 21 -0.908 0.655 3.809
172 HD1 HIS 21 1HD HIS 21 0.408 -0.717 5.681
173 HD2 HIS 21 2HD HIS 21 1.196 -1.872 1.765
174 HE1 HIS 21 1HE HIS 21 1.542 -2.933 5.836
175 H ASN 22 H ASN 22 -0.800 -0.772 -0.400
176 HA ASN 22 HA ASN 22 -3.287 -2.042 0.362
177 HB2 ASN 22 2HB ASN 22 -2.665 -1.433 -2.063
178 HB3 ASN 22 1HB ASN 22 -1.501 -2.760 -1.950
179 HD21 ASN 22 1HD2 ASN 22 -4.859 -1.926 -2.304
180 HD22 ASN 22 2HD2 ASN 22 -5.418 -3.517 -2.595
181 H THR 23 H THR 23 -3.374 -3.880 1.393
182 HA THR 23 HA THR 23 -0.978 -4.925 2.502
183 HB THR 23 HB THR 23 -2.497 -6.540 3.637
184 HG1 THR 23 1HG THR 23 -4.570 -5.110 2.263
185 HG21 THR 23 3HG2 THR 23 -3.366 -3.652 3.677
186 HG22 THR 23 1HG2 THR 23 -2.052 -4.344 4.624
187 HG23 THR 23 2HG2 THR 23 -3.721 -4.833 4.940
188 H GLY 24 H GLY 24 -2.637 -5.568 -0.329
189 HA2 GLY 24 2HA GLY 24 -2.024 -6.955 -2.044
190 HA3 GLY 24 1HA GLY 24 -0.858 -7.722 -0.974
191 H MET 25 H MET 25 -1.867 -9.537 -2.286
192 HA MET 25 HA MET 25 -3.854 -10.771 -0.586
193 HB2 MET 25 2HB MET 25 -3.753 -10.876 -3.624
194 HB3 MET 25 1HB MET 25 -4.808 -11.853 -2.615
195 HG2 MET 25 2HG MET 25 -5.926 -9.822 -1.819
196 HG3 MET 25 1HG MET 25 -4.862 -8.844 -2.820
197 HE1 MET 25 3HE MET 25 -7.865 -11.343 -2.723
198 HE2 MET 25 1HE MET 25 -6.689 -12.281 -3.644
199 HE3 MET 25 2HE MET 25 -8.145 -11.669 -4.430
200 HA PRO 26 HA PRO 26 -0.089 -13.123 -0.569
201 HB2 PRO 26 2HB PRO 26 -0.766 -14.857 1.420
202 HB3 PRO 26 1HB PRO 26 -0.203 -13.207 1.702
203 HG2 PRO 26 2HG PRO 26 -2.971 -14.302 1.736
204 HG3 PRO 26 1HG PRO 26 -2.238 -13.069 2.774
205 HD2 PRO 26 2HD PRO 26 -3.909 -12.508 0.683
206 HD3 PRO 26 1HD PRO 26 -2.671 -11.387 1.278
207 H PHE 27 H PHE 27 0.138 -14.237 -2.311
208 HA PHE 27 HA PHE 27 -0.922 -16.949 -2.362
209 HB2 PHE 27 2HB PHE 27 -0.639 -15.053 -4.705
210 HB3 PHE 27 1HB PHE 27 -0.861 -16.790 -4.900
211 HD1 PHE 27 1HD PHE 27 -3.013 -17.799 -3.964
212 HD2 PHE 27 2HD PHE 27 -2.447 -13.612 -4.488
213 HE1 PHE 27 1HE PHE 27 -5.453 -17.465 -3.941
214 HE2 PHE 27 2HE PHE 27 -4.873 -13.275 -4.469
215 HZ PHE 27 HZ PHE 27 -6.385 -15.202 -4.193
216 H ARG 28 H ARG 28 0.600 -18.462 -3.035
217 HA ARG 28 HA ARG 28 3.214 -17.979 -2.284
218 HB2 ARG 28 2HB ARG 28 3.796 -20.155 -3.378
219 HB3 ARG 28 1HB ARG 28 2.425 -20.239 -2.286
220 HG2 ARG 28 2HG ARG 28 0.893 -20.250 -4.185
221 HG3 ARG 28 1HG ARG 28 2.254 -20.087 -5.292
222 HD2 ARG 28 2HD ARG 28 1.471 -22.405 -5.157
223 HD3 ARG 28 1HD ARG 28 3.124 -22.248 -4.579
224 HE ARG 28 HE ARG 28 1.418 -22.052 -2.380
225 HH11 ARG 28 1HH1 ARG 28 2.434 -24.494 -4.743
226 HH12 ARG 28 2HH1 ARG 28 2.146 -25.803 -3.690
227 HH21 ARG 28 1HH2 ARG 28 1.048 -23.869 -0.960
228 HH22 ARG 28 2HH2 ARG 28 1.349 -25.453 -1.524
229 H ASN 29 H ASN 29 4.817 -16.970 -3.089
230 HA ASN 29 HA ASN 29 6.279 -15.954 -4.386
231 HB2 ASN 29 2HB ASN 29 5.194 -17.773 -6.514
232 HB3 ASN 29 1HB ASN 29 6.515 -16.646 -6.830
233 HD21 ASN 29 1HD2 ASN 29 8.495 -16.987 -5.760
234 HD22 ASN 29 2HD2 ASN 29 8.914 -18.521 -5.090
235 H LEU 30 H LEU 30 3.276 -15.193 -4.335
236 HA LEU 30 HA LEU 30 3.658 -13.067 -6.287
237 HB2 LEU 30 2HB LEU 30 1.659 -14.461 -6.744
238 HB3 LEU 30 1HB LEU 30 1.068 -14.099 -5.136
239 HG LEU 30 HG LEU 30 0.859 -11.717 -5.751
240 HD11 LEU 30 1HD1 LEU 30 1.667 -12.641 -8.502
241 HD12 LEU 30 2HD1 LEU 30 2.585 -11.566 -7.445
242 HD13 LEU 30 3HD1 LEU 30 1.034 -11.047 -8.100
243 HD21 LEU 30 3HD2 LEU 30 -1.059 -11.968 -7.259
244 HD22 LEU 30 1HD2 LEU 30 -1.065 -13.185 -5.983
245 HD23 LEU 30 2HD2 LEU 30 -0.556 -13.621 -7.614
246 H LYS 31 H LYS 31 4.852 -11.839 -4.970
247 HA LYS 31 HA LYS 31 3.866 -11.064 -2.373
248 HB2 LYS 31 2HB LYS 31 6.305 -11.434 -2.754
249 HB3 LYS 31 1HB LYS 31 6.289 -10.166 -3.957
250 HG2 LYS 31 2HG LYS 31 7.258 -9.337 -1.905
251 HG3 LYS 31 1HG LYS 31 5.732 -8.519 -2.220
252 HD2 LYS 31 2HD LYS 31 5.935 -9.084 0.135
253 HD3 LYS 31 1HD LYS 31 4.619 -9.990 -0.608
254 HE2 LYS 31 2HE LYS 31 6.069 -11.962 -0.764
255 HE3 LYS 31 1HE LYS 31 7.399 -11.038 -0.064
256 HZ1 LYS 31 3HZ LYS 31 6.116 -10.826 1.978
257 HZ2 LYS 31 1HZ LYS 31 6.305 -12.444 1.558
258 HZ3 LYS 31 2HZ LYS 31 4.830 -11.686 1.292
259 H LEU 32 H LEU 32 1.938 -10.116 -3.074
260 HA LEU 32 HA LEU 32 2.072 -7.930 -4.950
261 HB2 LEU 32 2HB LEU 32 0.132 -9.420 -4.972
262 HB3 LEU 32 1HB LEU 32 -0.235 -8.990 -3.315
263 HG LEU 32 HG LEU 32 -0.715 -6.677 -4.031
264 HD11 LEU 32 1HD1 LEU 32 -0.943 -6.163 -6.410
265 HD12 LEU 32 2HD1 LEU 32 -0.263 -7.741 -6.813
266 HD13 LEU 32 3HD1 LEU 32 0.722 -6.542 -5.976
267 HD21 LEU 32 3HD2 LEU 32 -2.521 -8.310 -3.874
268 HD22 LEU 32 1HD2 LEU 32 -2.241 -8.789 -5.548
269 HD23 LEU 32 2HD2 LEU 32 -2.816 -7.162 -5.179
270 H ILE 33 H ILE 33 3.001 -6.211 -4.224
271 HA ILE 33 HA ILE 33 2.033 -5.062 -1.746
272 HB ILE 33 HB ILE 33 4.855 -5.436 -2.630
273 HG12 ILE 33 2HG1 ILE 33 3.915 -6.839 -0.871
274 HG13 ILE 33 1HG1 ILE 33 5.232 -5.841 -0.258
275 HG21 ILE 33 1HG2 ILE 33 4.018 -3.091 -0.945
276 HG22 ILE 33 2HG2 ILE 33 4.723 -3.018 -2.560
277 HG23 ILE 33 3HG2 ILE 33 5.680 -3.625 -1.205
278 HD11 ILE 33 3HD1 ILE 33 3.510 -4.251 0.618
279 HD12 ILE 33 1HD1 ILE 33 3.475 -5.847 1.382
280 HD13 ILE 33 2HD1 ILE 33 2.275 -5.424 0.172
281 H LEU 34 H LEU 34 1.038 -3.259 -2.018
282 HA LEU 34 HA LEU 34 2.005 -1.495 -4.129
283 HB2 LEU 34 2HB LEU 34 -0.929 -1.720 -3.387
284 HB3 LEU 34 1HB LEU 34 -0.222 -0.725 -4.618
285 HG LEU 34 HG LEU 34 -0.198 -3.736 -4.744
286 HD11 LEU 34 1HD1 LEU 34 -2.009 -3.520 -6.343
287 HD12 LEU 34 2HD1 LEU 34 -2.042 -1.776 -6.098
288 HD13 LEU 34 3HD1 LEU 34 -2.486 -2.861 -4.779
289 HD21 LEU 34 3HD2 LEU 34 0.355 -1.612 -6.821
290 HD22 LEU 34 1HD2 LEU 34 0.341 -3.352 -7.101
291 HD23 LEU 34 2HD2 LEU 34 1.562 -2.641 -6.048
292 H GLN 35 H GLN 35 3.256 -0.695 -2.397
293 HA GLN 35 HA GLN 35 1.809 0.988 -0.479
294 HB2 GLN 35 2HB GLN 35 4.730 0.246 -0.715
295 HB3 GLN 35 1HB GLN 35 4.057 1.283 0.531
296 HG2 GLN 35 2HG GLN 35 2.824 -0.526 1.442
297 HG3 GLN 35 1HG GLN 35 3.283 -1.587 0.109
298 HE21 GLN 35 1HE2 GLN 35 4.320 -0.017 3.018
299 HE22 GLN 35 2HE2 GLN 35 5.788 -0.895 3.177
300 H GLY 36 H GLY 36 1.373 2.938 -1.374
301 HA2 GLY 36 2HA GLY 36 3.574 4.313 -2.703
302 HA3 GLY 36 1HA GLY 36 2.094 4.086 -3.622
303 H CYS 37 H CYS 37 2.052 6.359 -3.738
304 HA CYS 37 HA CYS 37 0.670 7.510 -1.448
305 HB2 CYS 37 2HB CYS 37 2.775 8.875 -3.154
306 HB3 CYS 37 1HB CYS 37 1.690 9.702 -2.045
307 H SER 38 H SER 38 -1.139 8.732 -2.029
308 HA SER 38 HA SER 38 -1.641 8.911 -4.889
309 HB2 SER 38 2HB SER 38 -2.745 6.885 -3.971
310 HB3 SER 38 1HB SER 38 -3.610 7.900 -2.816
311 HG SER 38 HG SER 38 -5.031 8.000 -4.347
312 H SER 39 H SER 39 -3.347 10.427 -5.369
313 HA SER 39 HA SER 39 -3.143 12.837 -3.812
314 HB2 SER 39 2HB SER 39 -3.244 12.814 -6.332
315 HB3 SER 39 1HB SER 39 -4.912 12.258 -6.217
316 HG SER 39 HG SER 39 -4.142 14.566 -4.836
317 H SER 40 H SER 40 -5.507 10.292 -4.306
318 HA SER 40 HA SER 40 -6.964 11.375 -2.041
319 HB2 SER 40 2HB SER 40 -8.112 12.010 -4.186
320 HB3 SER 40 1HB SER 40 -8.239 10.298 -4.579
321 HG SER 40 HG SER 40 -9.957 10.261 -3.414
322 H CYS 41 H CYS 41 -7.990 9.699 -0.816
323 HA CYS 41 HA CYS 41 -6.627 7.208 -0.875
324 HB2 CYS 41 2HB CYS 41 -7.358 7.946 1.280
325 HB3 CYS 41 1HB CYS 41 -9.004 8.193 0.706
326 H SER 42 H SER 42 -7.036 5.619 -2.222
327 HA SER 42 HA SER 42 -9.553 5.430 -3.571
328 HB2 SER 42 2HB SER 42 -7.304 3.409 -3.477
329 HB3 SER 42 1HB SER 42 -8.510 3.637 -4.750
330 HG SER 42 HG SER 42 -7.511 5.900 -4.712
331 H GLU 43 H GLU 43 -10.966 5.169 -1.957
332 HA GLU 43 HA GLU 43 -10.625 3.772 0.417
333 HB2 GLU 43 2HB GLU 43 -13.169 4.594 -0.969
334 HB3 GLU 43 1HB GLU 43 -13.072 4.057 0.703
335 HG2 GLU 43 2HG GLU 43 -11.648 5.934 1.257
336 HG3 GLU 43 1HG GLU 43 -11.634 6.451 -0.425
337 H THR 44 H THR 44 -10.082 1.771 0.396
338 HA THR 44 HA THR 44 -11.957 -0.206 -0.579
339 HB THR 44 HB THR 44 -9.828 -1.547 -1.269
340 HG1 THR 44 1HG THR 44 -8.895 1.140 -1.378
341 HG21 THR 44 3HG2 THR 44 -10.789 0.748 -2.990
342 HG22 THR 44 1HG2 THR 44 -11.537 -0.846 -2.888
343 HG23 THR 44 2HG2 THR 44 -9.921 -0.672 -3.575
344 H GLU 45 H GLU 45 -11.519 -2.309 0.495
345 HA GLU 45 HA GLU 45 -10.830 -1.794 3.241
346 HB2 GLU 45 2HB GLU 45 -11.869 -4.308 1.944
347 HB3 GLU 45 1HB GLU 45 -11.679 -4.059 3.673
348 HG2 GLU 45 2HG GLU 45 -13.520 -2.519 1.853
349 HG3 GLU 45 1HG GLU 45 -13.992 -3.781 2.987
350 H ASN 46 H ASN 46 -9.371 -3.407 0.531
351 HA ASN 46 HA ASN 46 -7.517 -4.851 2.249
352 HB2 ASN 46 2HB ASN 46 -8.514 -5.790 0.087
353 HB3 ASN 46 1HB ASN 46 -7.455 -4.686 -0.776
354 HD21 ASN 46 1HD2 ASN 46 -5.281 -5.272 -1.048
355 HD22 ASN 46 2HD2 ASN 46 -4.677 -6.773 -0.436
356 H ASN 47 H ASN 47 -7.711 -1.745 1.324
357 HA ASN 47 HA ASN 47 -4.815 -1.383 1.244
358 HB2 ASN 47 2HB ASN 47 -5.595 -0.921 -0.945
359 HB3 ASN 47 1HB ASN 47 -6.963 -0.001 -0.339
360 HD21 ASN 47 1HD2 ASN 47 -6.684 2.127 0.198
361 HD22 ASN 47 2HD2 ASN 47 -5.225 2.983 -0.130
362 H LYS 48 H LYS 48 -4.021 -0.091 2.703
363 HA LYS 48 HA LYS 48 -5.826 1.355 4.498
364 HB2 LYS 48 2HB LYS 48 -2.836 0.982 4.717
365 HB3 LYS 48 1HB LYS 48 -3.930 1.506 5.979
366 HG2 LYS 48 2HG LYS 48 -4.964 -0.727 5.971
367 HG3 LYS 48 1HG LYS 48 -3.800 -1.222 4.742
368 HD2 LYS 48 2HD LYS 48 -2.762 -1.995 6.662
369 HD3 LYS 48 1HD LYS 48 -2.044 -0.395 6.520
370 HE2 LYS 48 2HE LYS 48 -4.389 -1.129 8.284
371 HE3 LYS 48 1HE LYS 48 -2.737 -0.925 8.833
372 HZ1 LYS 48 3HZ LYS 48 -4.159 0.971 9.292
373 HZ2 LYS 48 1HZ LYS 48 -4.438 1.221 7.662
374 HZ3 LYS 48 2HZ LYS 48 -2.877 1.408 8.327
375 H CYS 49 H CYS 49 -6.016 3.485 4.248
376 HA CYS 49 HA CYS 49 -3.833 4.873 2.875
377 HB2 CYS 49 2HB CYS 49 -5.503 6.499 2.029
378 HB3 CYS 49 1HB CYS 49 -5.773 4.873 1.416
379 H CYS 50 H CYS 50 -2.928 6.481 3.938
380 HA CYS 50 HA CYS 50 -4.321 7.628 6.191
381 HB2 CYS 50 2HB CYS 50 -2.090 7.331 7.459
382 HB3 CYS 50 1HB CYS 50 -3.180 5.951 7.329
383 H SER 51 H SER 51 -3.288 9.634 6.941
384 HA SER 51 HA SER 51 -2.029 10.970 4.665
385 HB2 SER 51 2HB SER 51 -3.100 13.014 5.769
386 HB3 SER 51 1HB SER 51 -4.177 11.851 4.989
387 HG SER 51 HG SER 51 -4.822 11.109 6.942
388 H THR 52 H THR 52 -0.554 9.564 6.857
389 HA THR 52 HA THR 52 0.899 11.892 7.943
390 HB THR 52 HB THR 52 0.905 9.179 9.211
391 HG1 THR 52 1HG THR 52 -1.287 10.056 9.095
392 HG21 THR 52 3HG2 THR 52 1.470 10.466 11.251
393 HG22 THR 52 1HG2 THR 52 1.392 11.955 10.309
394 HG23 THR 52 2HG2 THR 52 2.625 10.744 9.948
395 H ASP 53 H ASP 53 3.186 11.600 8.048
396 HA ASP 53 HA ASP 53 4.169 10.325 5.682
397 HB2 ASP 53 2HB ASP 53 6.276 11.260 6.087
398 HB3 ASP 53 1HB ASP 53 5.187 12.424 6.820
399 H ARG 54 H ARG 54 5.151 8.532 5.372
400 HA ARG 54 HA ARG 54 5.943 6.459 5.599
401 HB2 ARG 54 2HB ARG 54 6.696 7.367 8.374
402 HB3 ARG 54 1HB ARG 54 7.278 5.903 7.598
403 HG2 ARG 54 2HG ARG 54 8.431 7.162 5.931
404 HG3 ARG 54 1HG ARG 54 7.708 8.664 6.502
405 HD2 ARG 54 2HD ARG 54 10.010 8.437 7.255
406 HD3 ARG 54 1HD ARG 54 8.895 8.451 8.615
407 HE ARG 54 HE ARG 54 9.150 5.888 8.356
408 HH11 ARG 54 1HH1 ARG 54 11.717 8.336 8.088
409 HH12 ARG 54 2HH1 ARG 54 12.963 7.291 8.539
410 HH21 ARG 54 1HH2 ARG 54 10.849 4.452 9.027
411 HH22 ARG 54 2HH2 ARG 54 12.453 5.006 9.125
412 H CYS 55 H CYS 55 3.107 7.208 6.721
413 HA CYS 55 HA CYS 55 2.617 5.302 8.784
414 HB2 CYS 55 2HB CYS 55 0.274 5.822 8.408
415 HB3 CYS 55 1HB CYS 55 1.244 7.296 8.431
416 H ASN 56 H ASN 56 3.158 4.872 5.511
417 HA ASN 56 HA ASN 56 1.239 2.687 5.176
418 HB2 ASN 56 2HB ASN 56 1.690 2.807 2.780
419 HB3 ASN 56 1HB ASN 56 1.439 4.433 3.375
420 HD21 ASN 56 1HD2 ASN 56 2.662 3.538 1.016
421 HD22 ASN 56 2HD2 ASN 56 4.303 4.053 0.972
422 H LYS 57 H LYS 57 3.359 2.588 6.896
423 HA LYS 57 HA LYS 57 5.656 1.227 6.175
424 HB2 LYS 57 2HB LYS 57 4.763 2.701 8.108
425 HB3 LYS 57 1HB LYS 57 4.308 1.170 8.832
426 HG2 LYS 57 2HG LYS 57 7.061 1.991 7.994
427 HG3 LYS 57 1HG LYS 57 6.368 2.231 9.591
428 HD2 LYS 57 2HD LYS 57 7.681 0.278 9.860
429 HD3 LYS 57 1HD LYS 57 6.066 -0.362 9.578
430 HE2 LYS 57 2HE LYS 57 6.625 -0.745 7.244
431 HE3 LYS 57 1HE LYS 57 8.241 -0.085 7.502
432 HZ1 LYS 57 3HZ LYS 57 8.362 -2.460 7.587
433 HZ2 LYS 57 1HZ LYS 57 7.086 -2.543 8.688
434 HZ3 LYS 57 2HZ LYS 57 8.550 -1.900 9.175