data_7192_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 7192
_Entry.PDB_ID 2DSM
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 2 . 1 1 1 A 2 2 VAL H H 2 8.100 8.876 -0.776 1
1 3 . 1 1 1 A 2 2 VAL HA H 2 4.090 5.104 -1.014 1
1 5 . 1 1 1 A 2 2 VAL C C 2 176.500 174.287 2.213 1
1 6 . 1 1 1 A 2 2 VAL CA C 2 62.300 59.059 3.241 1
1 7 . 1 1 1 A 2 2 VAL CB C 2 32.700 35.805 -3.105 1
1 8 . 1 1 1 A 2 2 VAL N N 2 124.800 120.723 4.077 1
1 9 . 1 1 1 A 3 3 GLU H H 3 8.500 8.900 -0.400 1
1 10 . 1 1 1 A 3 3 GLU HA H 3 4.280 5.232 -0.952 1
1 15 . 1 1 1 A 3 3 GLU C C 3 175.900 175.047 0.853 1
1 16 . 1 1 1 A 3 3 GLU CA C 3 56.500 54.080 2.420 1
1 17 . 1 1 1 A 3 3 GLU CB C 3 30.400 34.347 -3.947 1
1 19 . 1 1 1 A 3 3 GLU N N 3 124.200 119.127 5.073 1
1 20 . 1 1 1 A 4 4 ASN H H 4 8.500 8.864 -0.364 1
1 21 . 1 1 1 A 4 4 ASN HA H 4 4.970 5.264 -0.294 1
1 26 . 1 1 1 A 4 4 ASN CA C 4 51.200 51.082 0.118 1
1 27 . 1 1 1 A 4 4 ASN CB C 4 39.000 40.766 -1.766 1
1 28 . 1 1 1 A 4 4 ASN N N 4 120.700 116.773 3.927 1
1 30 . 1 1 1 A 5 5 PRO HA H 5 4.390 4.434 -0.044 1
1 37 . 1 1 1 A 5 5 PRO C C 5 176.800 175.709 1.091 1
1 38 . 1 1 1 A 5 5 PRO CA C 5 63.500 64.634 -1.134 1
1 39 . 1 1 1 A 5 5 PRO CB C 5 32.200 31.962 0.238 1
1 42 . 1 1 1 A 6 6 MET H H 6 8.300 7.398 0.902 1
1 43 . 1 1 1 A 6 6 MET HA H 6 4.400 4.885 -0.485 1
1 51 . 1 1 1 A 6 6 MET C C 6 176.200 174.809 1.391 1
1 52 . 1 1 1 A 6 6 MET CA C 6 55.800 53.741 2.059 1
1 53 . 1 1 1 A 6 6 MET CB C 6 32.600 35.064 -2.464 1
1 56 . 1 1 1 A 6 6 MET N N 6 119.400 111.952 7.448 1
1 57 . 1 1 1 A 7 7 VAL H H 7 7.980 8.839 -0.859 1
1 58 . 1 1 1 A 7 7 VAL HA H 7 4.080 4.212 -0.132 1
1 66 . 1 1 1 A 7 7 VAL C C 7 175.800 175.662 0.138 1
1 67 . 1 1 1 A 7 7 VAL CA C 7 62.400 62.740 -0.340 1
1 68 . 1 1 1 A 7 7 VAL CB C 7 32.800 30.684 2.116 1
1 71 . 1 1 1 A 7 7 VAL N N 7 121.500 121.202 0.298 1
1 72 . 1 1 1 A 8 8 ILE H H 8 8.140 7.859 0.281 1
1 73 . 1 1 1 A 8 8 ILE HA H 8 4.120 4.751 -0.631 1
1 83 . 1 1 1 A 8 8 ILE C C 8 175.800 174.715 1.085 1
1 84 . 1 1 1 A 8 8 ILE CA C 8 60.900 59.558 1.342 1
1 85 . 1 1 1 A 8 8 ILE CB C 8 38.600 39.524 -0.924 1
1 89 . 1 1 1 A 8 8 ILE N N 8 124.500 123.975 0.525 1
1 90 . 1 1 1 A 9 9 ASN H H 9 8.450 8.618 -0.168 1
1 91 . 1 1 1 A 9 9 ASN HA H 9 4.630 4.975 -0.345 1
1 96 . 1 1 1 A 9 9 ASN C C 9 174.700 174.797 -0.097 1
1 97 . 1 1 1 A 9 9 ASN CA C 9 53.200 51.984 1.216 1
1 98 . 1 1 1 A 9 9 ASN CB C 9 39.000 38.894 0.106 1
1 99 . 1 1 1 A 9 9 ASN N N 9 122.700 122.597 0.103 1
1 101 . 1 1 1 A 10 10 ASN H H 10 8.320 8.914 -0.594 1
1 102 . 1 1 1 A 10 10 ASN HA H 10 4.680 4.780 -0.100 1
1 107 . 1 1 1 A 10 10 ASN C C 10 175.000 176.731 -1.731 1
1 108 . 1 1 1 A 10 10 ASN CA C 10 53.100 52.228 0.872 1
1 109 . 1 1 1 A 10 10 ASN CB C 10 38.700 39.469 -0.769 1
1 110 . 1 1 1 A 10 10 ASN N N 10 119.600 124.601 -5.001 1
1 112 . 1 1 1 A 11 11 TRP H H 11 8.060 8.476 -0.416 1
1 113 . 1 1 1 A 11 11 TRP HA H 11 4.550 4.317 0.233 1
1 122 . 1 1 1 A 11 11 TRP C C 11 176.200 176.781 -0.581 1
1 123 . 1 1 1 A 11 11 TRP CA C 11 57.800 59.983 -2.183 1
1 124 . 1 1 1 A 11 11 TRP CB C 11 29.300 29.386 -0.086 1
1 130 . 1 1 1 A 11 11 TRP N N 11 121.200 122.956 -1.756 1
1 132 . 1 1 1 A 12 12 HIS H H 12 7.980 8.195 -0.215 1
1 133 . 1 1 1 A 12 12 HIS HA H 12 4.410 4.480 -0.070 1
1 137 . 1 1 1 A 12 12 HIS C C 12 174.400 174.082 0.318 1
1 138 . 1 1 1 A 12 12 HIS CA C 12 56.200 58.414 -2.214 1
1 139 . 1 1 1 A 12 12 HIS CB C 12 29.600 29.581 0.019 1
1 141 . 1 1 1 A 12 12 HIS N N 12 119.900 118.306 1.594 1
1 142 . 1 1 1 A 13 13 ASP H H 13 8.130 8.489 -0.359 1
1 143 . 1 1 1 A 13 13 ASP HA H 13 4.470 5.067 -0.597 1
1 146 . 1 1 1 A 13 13 ASP C C 13 176.100 174.265 1.835 1
1 147 . 1 1 1 A 13 13 ASP CA C 13 54.700 53.788 0.912 1
1 148 . 1 1 1 A 13 13 ASP CB C 13 41.100 44.761 -3.661 1
1 149 . 1 1 1 A 13 13 ASP N N 13 120.600 120.005 0.595 1
1 150 . 1 1 1 A 14 14 LYS H H 14 8.150 8.759 -0.609 1
1 151 . 1 1 1 A 14 14 LYS HA H 14 4.270 5.032 -0.762 1
1 160 . 1 1 1 A 14 14 LYS C C 14 176.600 174.737 1.863 1
1 161 . 1 1 1 A 14 14 LYS CA C 14 56.500 55.562 0.938 1
1 162 . 1 1 1 A 14 14 LYS CB C 14 32.900 36.204 -3.304 1
1 166 . 1 1 1 A 14 14 LYS N N 14 120.900 123.663 -2.763 1
1 167 . 1 1 1 A 15 15 LEU H H 15 8.220 8.891 -0.671 1
1 168 . 1 1 1 A 15 15 LEU HA H 15 4.360 5.210 -0.850 1
1 178 . 1 1 1 A 15 15 LEU C C 15 177.600 175.189 2.411 1
1 179 . 1 1 1 A 15 15 LEU CA C 15 55.600 52.804 2.796 1
1 180 . 1 1 1 A 15 15 LEU CB C 15 42.200 46.065 -3.865 1
1 184 . 1 1 1 A 15 15 LEU N N 15 122.500 122.429 0.071 1
1 185 . 1 1 1 A 16 16 THR H H 16 8.090 8.347 -0.257 1
1 186 . 1 1 1 A 16 16 THR HA H 16 4.340 4.805 -0.465 1
1 191 . 1 1 1 A 16 16 THR C C 16 174.700 174.708 -0.008 1
1 192 . 1 1 1 A 16 16 THR CA C 16 61.700 60.160 1.540 1
1 193 . 1 1 1 A 16 16 THR CB C 16 70.000 70.352 -0.352 1
1 195 . 1 1 1 A 16 16 THR N N 16 113.800 112.404 1.396 1
1 196 . 1 1 1 A 17 17 GLU H H 17 8.400 8.801 -0.401 1
1 197 . 1 1 1 A 17 17 GLU HA H 17 4.330 4.274 0.056 1
1 202 . 1 1 1 A 17 17 GLU C C 17 176.500 176.920 -0.420 1
1 203 . 1 1 1 A 17 17 GLU CA C 17 56.900 56.654 0.246 1
1 204 . 1 1 1 A 17 17 GLU CB C 17 30.200 29.896 0.304 1
1 206 . 1 1 1 A 17 17 GLU N N 17 122.700 124.131 -1.431 1
1 207 . 1 1 1 A 18 18 THR H H 18 8.040 8.650 -0.610 1
1 208 . 1 1 1 A 18 18 THR HA H 18 4.350 3.969 0.381 1
1 213 . 1 1 1 A 18 18 THR C C 18 174.000 175.188 -1.188 1
1 214 . 1 1 1 A 18 18 THR CA C 18 61.700 65.976 -4.276 1
1 215 . 1 1 1 A 18 18 THR CB C 18 69.800 69.223 0.577 1
1 217 . 1 1 1 A 18 18 THR N N 18 113.600 119.065 -5.465 1
1 218 . 1 1 1 A 19 19 ASP H H 19 8.290 7.995 0.295 1
1 219 . 1 1 1 A 19 19 ASP HA H 19 4.640 4.871 -0.231 1
1 222 . 1 1 1 A 19 19 ASP C C 19 175.500 175.603 -0.103 1
1 223 . 1 1 1 A 19 19 ASP CA C 19 54.500 53.027 1.473 1
1 224 . 1 1 1 A 19 19 ASP CB C 19 41.200 42.008 -0.808 1
1 225 . 1 1 1 A 19 19 ASP N N 19 122.900 117.726 5.174 1
1 226 . 1 1 1 A 20 20 VAL H H 20 7.900 7.240 0.660 1
1 227 . 1 1 1 A 20 20 VAL HA H 20 4.200 3.966 0.234 1
1 235 . 1 1 1 A 20 20 VAL C C 20 175.400 175.370 0.030 1
1 236 . 1 1 1 A 20 20 VAL CA C 20 61.900 62.530 -0.630 1
1 237 . 1 1 1 A 20 20 VAL CB C 20 33.500 32.054 1.446 1
1 240 . 1 1 1 A 20 20 VAL N N 20 119.900 120.455 -0.555 1
1 241 . 1 1 1 A 21 21 GLN H H 21 8.490 8.391 0.099 1
1 242 . 1 1 1 A 21 21 GLN HA H 21 4.510 4.724 -0.214 1
1 249 . 1 1 1 A 21 21 GLN C C 21 173.800 174.894 -1.094 1
1 250 . 1 1 1 A 21 21 GLN CA C 21 54.700 55.130 -0.430 1
1 251 . 1 1 1 A 21 21 GLN CB C 21 31.600 29.801 1.799 1
1 253 . 1 1 1 A 21 21 GLN N N 21 124.800 125.329 -0.529 1
1 255 . 1 1 1 A 22 22 ILE H H 22 8.070 8.808 -0.738 1
1 256 . 1 1 1 A 22 22 ILE HA H 22 4.820 4.821 -0.001 1
1 266 . 1 1 1 A 22 22 ILE C C 22 175.500 175.543 -0.043 1
1 267 . 1 1 1 A 22 22 ILE CA C 22 58.700 59.526 -0.826 1
1 268 . 1 1 1 A 22 22 ILE CB C 22 39.800 41.258 -1.458 1
1 272 . 1 1 1 A 22 22 ILE N N 22 120.500 124.211 -3.711 1
1 273 . 1 1 1 A 23 23 ASP H H 23 9.340 8.647 0.693 1
1 274 . 1 1 1 A 23 23 ASP HA H 23 4.570 4.877 -0.307 1
1 277 . 1 1 1 A 23 23 ASP C C 23 178.600 176.238 2.362 1
1 278 . 1 1 1 A 23 23 ASP CA C 23 51.700 52.796 -1.096 1
1 279 . 1 1 1 A 23 23 ASP CB C 23 42.900 41.131 1.769 1
1 280 . 1 1 1 A 23 23 ASP N N 23 128.000 124.775 3.225 1
1 281 . 1 1 1 A 24 24 PHE H H 24 8.860 9.246 -0.386 1
1 282 . 1 1 1 A 24 24 PHE HA H 24 3.960 4.034 -0.074 1
1 290 . 1 1 1 A 24 24 PHE C C 24 175.800 177.262 -1.462 1
1 291 . 1 1 1 A 24 24 PHE CA C 24 61.600 61.909 -0.309 1
1 292 . 1 1 1 A 24 24 PHE CB C 24 41.800 39.170 2.630 1
1 298 . 1 1 1 A 24 24 PHE N N 24 118.500 119.690 -1.190 1
1 299 . 1 1 1 A 25 25 TYR H H 25 8.340 7.825 0.515 1
1 300 . 1 1 1 A 25 25 TYR HA H 25 4.400 4.473 -0.073 1
1 307 . 1 1 1 A 25 25 TYR C C 25 175.700 175.941 -0.241 1
1 308 . 1 1 1 A 25 25 TYR CA C 25 59.200 58.517 0.683 1
1 309 . 1 1 1 A 25 25 TYR CB C 25 38.700 38.490 0.210 1
1 314 . 1 1 1 A 25 25 TYR N N 25 114.500 114.954 -0.454 1
1 315 . 1 1 1 A 26 26 GLY H H 26 8.460 7.690 0.770 1
1 316 . 1 1 1 A 26 26 GLY HA2 H 26 4.230 3.948 0.282 1
1 317 . 1 1 1 A 26 26 GLY HA3 H 26 3.500 3.949 -0.449 1
1 318 . 1 1 1 A 26 26 GLY C C 26 174.700 174.412 0.288 1
1 319 . 1 1 1 A 26 26 GLY CA C 26 45.200 46.439 -1.239 1
1 320 . 1 1 1 A 26 26 GLY N N 26 109.700 108.775 0.925 1
1 321 . 1 1 1 A 27 27 ASP H H 27 8.400 8.220 0.180 1
1 322 . 1 1 1 A 27 27 ASP HA H 27 4.330 4.861 -0.531 1
1 325 . 1 1 1 A 27 27 ASP C C 27 175.700 175.584 0.116 1
1 326 . 1 1 1 A 27 27 ASP CA C 27 56.700 55.345 1.355 1
1 327 . 1 1 1 A 27 27 ASP CB C 27 30.300 41.481 -11.181 1
1 328 . 1 1 1 A 27 27 ASP N N 27 122.700 121.009 1.691 1
1 329 . 1 1 1 A 28 28 GLU H H 28 7.960 7.691 0.269 1
1 330 . 1 1 1 A 28 28 GLU HA H 28 4.280 4.576 -0.296 1
1 335 . 1 1 1 A 28 28 GLU C C 28 175.200 174.046 1.154 1
1 336 . 1 1 1 A 28 28 GLU CA C 28 57.400 56.175 1.225 1
1 337 . 1 1 1 A 28 28 GLU CB C 28 30.500 33.436 -2.936 1
1 339 . 1 1 1 A 28 28 GLU N N 28 126.100 117.844 8.256 1
1 340 . 1 1 1 A 29 29 VAL H H 29 8.550 8.728 -0.178 1
1 341 . 1 1 1 A 29 29 VAL HA H 29 4.180 4.531 -0.351 1
1 349 . 1 1 1 A 29 29 VAL C C 29 176.000 176.201 -0.201 1
1 350 . 1 1 1 A 29 29 VAL CA C 29 61.500 61.362 0.138 1
1 351 . 1 1 1 A 29 29 VAL CB C 29 32.300 32.412 -0.112 1
1 354 . 1 1 1 A 29 29 VAL N N 29 123.500 127.056 -3.556 1
1 355 . 1 1 1 A 30 30 THR H H 30 9.720 8.966 0.754 1
1 356 . 1 1 1 A 30 30 THR HA H 30 5.010 4.953 0.057 1
1 361 . 1 1 1 A 30 30 THR CA C 30 60.800 59.775 1.025 1
1 362 . 1 1 1 A 30 30 THR CB C 30 68.700 69.150 -0.450 1
1 364 . 1 1 1 A 30 30 THR N N 30 122.300 120.768 1.532 1
1 365 . 1 1 1 A 31 31 PRO HA H 31 4.510 4.515 -0.005 1
1 372 . 1 1 1 A 31 31 PRO C C 31 176.400 176.635 -0.235 1
1 373 . 1 1 1 A 31 31 PRO CA C 31 65.200 64.554 0.646 1
1 374 . 1 1 1 A 31 31 PRO CB C 31 32.600 31.724 0.876 1
1 377 . 1 1 1 A 32 32 VAL H H 32 6.830 7.805 -0.975 1
1 378 . 1 1 1 A 32 32 VAL HA H 32 4.450 4.383 0.067 1
1 386 . 1 1 1 A 32 32 VAL C C 32 175.700 174.479 1.221 1
1 387 . 1 1 1 A 32 32 VAL CA C 32 60.600 61.182 -0.582 1
1 388 . 1 1 1 A 32 32 VAL CB C 32 31.200 31.790 -0.590 1
1 391 . 1 1 1 A 32 32 VAL N N 32 105.600 115.783 -10.183 1
1 392 . 1 1 1 A 33 33 ASP H H 33 7.800 7.354 0.446 1
1 393 . 1 1 1 A 33 33 ASP HA H 33 4.910 5.271 -0.361 1
1 396 . 1 1 1 A 33 33 ASP C C 33 174.900 174.009 0.891 1
1 397 . 1 1 1 A 33 33 ASP CA C 33 55.100 52.754 2.346 1
1 398 . 1 1 1 A 33 33 ASP CB C 33 43.900 44.368 -0.468 1
1 399 . 1 1 1 A 33 33 ASP N N 33 122.100 122.668 -0.568 1
1 400 . 1 1 1 A 34 34 ASP H H 34 8.810 8.592 0.218 1
1 401 . 1 1 1 A 34 34 ASP HA H 34 5.060 5.279 -0.219 1
1 404 . 1 1 1 A 34 34 ASP C C 34 176.500 175.141 1.359 1
1 405 . 1 1 1 A 34 34 ASP CA C 34 53.700 53.372 0.328 1
1 406 . 1 1 1 A 34 34 ASP CB C 34 41.600 42.278 -0.678 1
1 407 . 1 1 1 A 34 34 ASP N N 34 121.800 125.239 -3.439 1
1 408 . 1 1 1 A 35 35 TYR H H 35 8.570 8.782 -0.212 1
1 409 . 1 1 1 A 35 35 TYR HA H 35 5.220 5.482 -0.262 1
1 416 . 1 1 1 A 35 35 TYR C C 35 171.800 173.068 -1.268 1
1 417 . 1 1 1 A 35 35 TYR CA C 35 56.300 55.899 0.401 1
1 418 . 1 1 1 A 35 35 TYR CB C 35 40.700 42.025 -1.325 1
1 423 . 1 1 1 A 35 35 TYR N N 35 117.900 119.431 -1.531 1
1 424 . 1 1 1 A 36 36 VAL H H 36 9.340 8.883 0.457 1
1 425 . 1 1 1 A 36 36 VAL HA H 36 4.660 4.583 0.077 1
1 433 . 1 1 1 A 36 36 VAL C C 36 173.300 174.602 -1.302 1
1 434 . 1 1 1 A 36 36 VAL CA C 36 59.300 60.530 -1.230 1
1 435 . 1 1 1 A 36 36 VAL CB C 36 35.100 36.148 -1.048 1
1 438 . 1 1 1 A 36 36 VAL N N 36 120.700 119.241 1.459 1
1 439 . 1 1 1 A 37 37 ILE H H 37 8.820 8.858 -0.038 1
1 440 . 1 1 1 A 37 37 ILE HA H 37 4.820 5.068 -0.248 1
1 450 . 1 1 1 A 37 37 ILE C C 37 175.500 174.023 1.477 1
1 451 . 1 1 1 A 37 37 ILE CA C 37 59.700 59.987 -0.287 1
1 452 . 1 1 1 A 37 37 ILE CB C 37 40.600 38.803 1.797 1
1 456 . 1 1 1 A 37 37 ILE N N 37 124.100 127.470 -3.370 1
1 457 . 1 1 1 A 38 38 ASP H H 38 8.280 8.921 -0.641 1
1 458 . 1 1 1 A 38 38 ASP HA H 38 4.430 5.057 -0.627 1
1 461 . 1 1 1 A 38 38 ASP C C 38 177.000 176.720 0.280 1
1 462 . 1 1 1 A 38 38 ASP CA C 38 51.400 53.161 -1.761 1
1 463 . 1 1 1 A 38 38 ASP CB C 38 41.200 41.642 -0.442 1
1 464 . 1 1 1 A 38 38 ASP N N 38 126.600 128.042 -1.442 1
1 465 . 1 1 1 A 39 39 GLY H H 39 8.910 8.375 0.535 1
1 466 . 1 1 1 A 39 39 GLY HA2 H 39 3.640 3.956 -0.316 1
1 467 . 1 1 1 A 39 39 GLY HA3 H 39 3.850 3.990 -0.140 1
1 468 . 1 1 1 A 39 39 GLY C C 39 174.500 174.248 0.252 1
1 469 . 1 1 1 A 39 39 GLY CA C 39 47.600 45.439 2.161 1
1 470 . 1 1 1 A 39 39 GLY N N 39 114.900 113.976 0.924 1
1 471 . 1 1 1 A 40 40 GLY H H 40 8.220 8.317 -0.097 1
1 472 . 1 1 1 A 40 40 GLY HA2 H 40 3.900 4.066 -0.166 1
1 473 . 1 1 1 A 40 40 GLY HA3 H 40 3.900 4.067 -0.167 1
1 474 . 1 1 1 A 40 40 GLY C C 40 173.900 174.565 -0.665 1
1 475 . 1 1 1 A 40 40 GLY CA C 40 45.000 45.484 -0.484 1
1 476 . 1 1 1 A 40 40 GLY N N 40 112.200 107.125 5.075 1
1 477 . 1 1 1 A 41 41 GLU H H 41 7.770 7.544 0.226 1
1 478 . 1 1 1 A 41 41 GLU HA H 41 4.750 4.599 0.151 1
1 483 . 1 1 1 A 41 41 GLU C C 41 174.800 175.963 -1.163 1
1 484 . 1 1 1 A 41 41 GLU CA C 41 54.300 55.701 -1.401 1
1 485 . 1 1 1 A 41 41 GLU CB C 41 30.300 31.093 -0.793 1
1 487 . 1 1 1 A 41 41 GLU N N 41 120.200 121.288 -1.088 1
1 488 . 1 1 1 A 42 42 ILE H H 42 8.720 8.511 0.209 1
1 489 . 1 1 1 A 42 42 ILE HA H 42 4.780 4.856 -0.076 1
1 499 . 1 1 1 A 42 42 ILE C C 42 174.800 175.254 -0.454 1
1 500 . 1 1 1 A 42 42 ILE CA C 42 59.200 60.262 -1.062 1
1 501 . 1 1 1 A 42 42 ILE CB C 42 40.300 38.889 1.411 1
1 505 . 1 1 1 A 42 42 ILE N N 42 122.000 125.128 -3.128 1
1 506 . 1 1 1 A 43 43 ILE H H 43 9.230 9.224 0.006 1
1 507 . 1 1 1 A 43 43 ILE HA H 43 4.480 4.749 -0.269 1
1 517 . 1 1 1 A 43 43 ILE C C 43 176.400 175.587 0.813 1
1 518 . 1 1 1 A 43 43 ILE CA C 43 61.000 60.053 0.947 1
1 519 . 1 1 1 A 43 43 ILE CB C 43 42.300 41.424 0.876 1
1 523 . 1 1 1 A 43 43 ILE N N 43 126.400 128.128 -1.728 1
1 524 . 1 1 1 A 44 44 LEU H H 44 10.930 8.748 2.182 1
1 525 . 1 1 1 A 44 44 LEU HA H 44 4.280 4.283 -0.003 1
1 535 . 1 1 1 A 44 44 LEU C C 44 179.300 178.150 1.150 1
1 536 . 1 1 1 A 44 44 LEU CA C 44 56.500 56.170 0.330 1
1 537 . 1 1 1 A 44 44 LEU CB C 44 42.600 43.022 -0.422 1
1 541 . 1 1 1 A 44 44 LEU N N 44 130.900 128.688 2.212 1
1 542 . 1 1 1 A 45 45 ARG H H 45 8.610 8.811 -0.201 1
1 543 . 1 1 1 A 45 45 ARG HA H 45 3.890 4.006 -0.116 1
1 551 . 1 1 1 A 45 45 ARG C C 45 179.300 178.364 0.936 1
1 552 . 1 1 1 A 45 45 ARG CA C 45 60.200 59.251 0.949 1
1 553 . 1 1 1 A 45 45 ARG CB C 45 29.400 30.038 -0.638 1
1 556 . 1 1 1 A 45 45 ARG N N 45 125.400 126.683 -1.283 1
1 558 . 1 1 1 A 46 46 GLU H H 46 9.020 7.789 1.231 1
1 559 . 1 1 1 A 46 46 GLU HA H 46 4.210 4.103 0.107 1
1 564 . 1 1 1 A 46 46 GLU C C 46 176.700 178.388 -1.688 1
1 565 . 1 1 1 A 46 46 GLU CA C 46 59.000 58.872 0.128 1
1 566 . 1 1 1 A 46 46 GLU CB C 46 29.600 29.494 0.106 1
1 568 . 1 1 1 A 46 46 GLU N N 46 117.500 119.721 -2.221 1
1 569 . 1 1 1 A 47 47 ASN H H 47 7.870 7.828 0.042 1
1 570 . 1 1 1 A 47 47 ASN HA H 47 5.100 4.539 0.561 1
1 573 . 1 1 1 A 47 47 ASN C C 47 175.200 176.991 -1.791 1
1 574 . 1 1 1 A 47 47 ASN CA C 47 52.800 54.128 -1.328 1
1 575 . 1 1 1 A 47 47 ASN CB C 47 40.500 38.658 1.842 1
1 576 . 1 1 1 A 47 47 ASN N N 47 115.900 116.449 -0.549 1
1 577 . 1 1 1 A 48 48 LEU H H 48 7.760 7.622 0.138 1
1 578 . 1 1 1 A 48 48 LEU HA H 48 4.060 4.143 -0.083 1
1 588 . 1 1 1 A 48 48 LEU C C 48 177.200 178.345 -1.145 1
1 589 . 1 1 1 A 48 48 LEU CA C 48 59.000 58.158 0.842 1
1 590 . 1 1 1 A 48 48 LEU CB C 48 42.800 41.676 1.124 1
1 594 . 1 1 1 A 48 48 LEU N N 48 122.300 121.822 0.478 1
1 595 . 1 1 1 A 49 49 GLU H H 49 8.770 8.263 0.507 1
1 596 . 1 1 1 A 49 49 GLU HA H 49 3.670 3.918 -0.248 1
1 601 . 1 1 1 A 49 49 GLU C C 49 176.200 178.862 -2.662 1
1 602 . 1 1 1 A 49 49 GLU CA C 49 61.300 59.981 1.319 1
1 603 . 1 1 1 A 49 49 GLU CB C 49 28.200 29.197 -0.997 1
1 605 . 1 1 1 A 49 49 GLU N N 49 118.800 119.370 -0.570 1
1 606 . 1 1 1 A 50 50 ARG H H 50 8.000 8.044 -0.044 1
1 607 . 1 1 1 A 50 50 ARG HA H 50 3.860 4.050 -0.190 1
1 615 . 1 1 1 A 50 50 ARG C C 50 174.100 178.447 -4.347 1
1 616 . 1 1 1 A 50 50 ARG CA C 50 60.100 58.965 1.135 1
1 617 . 1 1 1 A 50 50 ARG CB C 50 29.900 29.994 -0.094 1
1 620 . 1 1 1 A 50 50 ARG N N 50 119.100 120.570 -1.470 1
1 622 . 1 1 1 A 51 51 TYR H H 51 8.250 8.175 0.075 1
1 623 . 1 1 1 A 51 51 TYR HA H 51 4.610 4.216 0.394 1
1 630 . 1 1 1 A 51 51 TYR C C 51 178.500 177.071 1.429 1
1 631 . 1 1 1 A 51 51 TYR CA C 51 61.700 61.298 0.402 1
1 632 . 1 1 1 A 51 51 TYR CB C 51 40.000 39.184 0.816 1
1 637 . 1 1 1 A 51 51 TYR N N 51 120.400 120.804 -0.404 1
1 638 . 1 1 1 A 52 52 LEU H H 52 9.030 8.750 0.280 1
1 639 . 1 1 1 A 52 52 LEU HA H 52 3.690 3.917 -0.227 1
1 649 . 1 1 1 A 52 52 LEU C C 52 180.000 179.236 0.764 1
1 650 . 1 1 1 A 52 52 LEU CA C 52 57.600 57.907 -0.307 1
1 651 . 1 1 1 A 52 52 LEU CB C 52 40.800 41.263 -0.463 1
1 655 . 1 1 1 A 52 52 LEU N N 52 118.300 119.490 -1.190 1
1 656 . 1 1 1 A 53 53 ARG H H 53 8.530 7.986 0.544 1
1 657 . 1 1 1 A 53 53 ARG HA H 53 4.820 4.174 0.646 1
1 665 . 1 1 1 A 53 53 ARG C C 53 179.100 178.731 0.369 1
1 666 . 1 1 1 A 53 53 ARG CA C 53 59.300 58.793 0.507 1
1 667 . 1 1 1 A 53 53 ARG CB C 53 31.900 29.997 1.903 1
1 670 . 1 1 1 A 53 53 ARG N N 53 119.400 119.003 0.397 1
1 672 . 1 1 1 A 54 54 GLU H H 54 9.090 7.678 1.412 1
1 673 . 1 1 1 A 54 54 GLU HA H 54 4.100 4.133 -0.033 1
1 678 . 1 1 1 A 54 54 GLU C C 54 178.700 178.128 0.572 1
1 679 . 1 1 1 A 54 54 GLU CA C 54 59.300 58.678 0.622 1
1 680 . 1 1 1 A 54 54 GLU CB C 54 31.000 30.123 0.877 1
1 682 . 1 1 1 A 54 54 GLU N N 54 116.700 118.755 -2.055 1
1 683 . 1 1 1 A 55 55 GLN H H 55 8.760 7.990 0.770 1
1 684 . 1 1 1 A 55 55 GLN HA H 55 4.290 4.109 0.181 1
1 691 . 1 1 1 A 55 55 GLN C C 55 177.700 175.670 2.030 1
1 692 . 1 1 1 A 55 55 GLN CA C 55 55.800 57.468 -1.668 1
1 693 . 1 1 1 A 55 55 GLN CB C 55 28.000 29.391 -1.391 1
1 695 . 1 1 1 A 55 55 GLN N N 55 113.900 119.566 -5.666 1
1 697 . 1 1 1 A 56 56 LEU H H 56 6.650 7.925 -1.275 1
1 698 . 1 1 1 A 56 56 LEU HA H 56 4.700 3.997 0.703 1
1 708 . 1 1 1 A 56 56 LEU C C 56 178.000 177.223 0.777 1
1 709 . 1 1 1 A 56 56 LEU CA C 56 55.300 55.749 -0.449 1
1 710 . 1 1 1 A 56 56 LEU CB C 56 43.800 40.933 2.867 1
1 714 . 1 1 1 A 56 56 LEU N N 56 116.200 119.998 -3.798 1
1 715 . 1 1 1 A 57 57 GLY H H 57 7.160 7.615 -0.455 1
1 716 . 1 1 1 A 57 57 GLY HA2 H 57 4.070 3.477 0.593 1
1 717 . 1 1 1 A 57 57 GLY HA3 H 57 4.070 3.851 0.219 1
1 718 . 1 1 1 A 57 57 GLY C C 57 175.000 173.912 1.088 1
1 719 . 1 1 1 A 57 57 GLY CA C 57 46.900 44.748 2.152 1
1 720 . 1 1 1 A 57 57 GLY N N 57 109.000 106.052 2.948 1
1 721 . 1 1 1 A 58 58 PHE H H 58 8.480 7.908 0.572 1
1 722 . 1 1 1 A 58 58 PHE HA H 58 4.690 4.269 0.421 1
1 730 . 1 1 1 A 58 58 PHE C C 58 175.700 174.518 1.182 1
1 731 . 1 1 1 A 58 58 PHE CA C 58 57.900 59.987 -2.087 1
1 732 . 1 1 1 A 58 58 PHE CB C 58 39.500 37.276 2.224 1
1 738 . 1 1 1 A 58 58 PHE N N 58 123.100 115.719 7.381 1
1 739 . 1 1 1 A 59 59 GLU H H 59 8.440 8.582 -0.142 1
1 740 . 1 1 1 A 59 59 GLU HA H 59 4.820 4.662 0.158 1
1 745 . 1 1 1 A 59 59 GLU C C 59 174.700 174.978 -0.278 1
1 746 . 1 1 1 A 59 59 GLU CA C 59 54.600 54.699 -0.099 1
1 747 . 1 1 1 A 59 59 GLU CB C 59 32.800 30.433 2.367 1
1 749 . 1 1 1 A 59 59 GLU N N 59 118.600 123.468 -4.868 1
1 750 . 1 1 1 A 60 60 PHE H H 60 9.110 9.117 -0.007 1
1 751 . 1 1 1 A 60 60 PHE HA H 60 4.470 5.150 -0.680 1
1 759 . 1 1 1 A 60 60 PHE C C 60 175.100 175.070 0.030 1
1 760 . 1 1 1 A 60 60 PHE CA C 60 58.100 57.070 1.030 1
1 761 . 1 1 1 A 60 60 PHE CB C 60 39.900 39.753 0.147 1
1 767 . 1 1 1 A 60 60 PHE N N 60 124.300 126.785 -2.485 1
1 768 . 1 1 1 A 61 61 LYS H H 61 8.510 8.821 -0.311 1
1 769 . 1 1 1 A 61 61 LYS HA H 61 4.360 5.096 -0.736 1
1 778 . 1 1 1 A 61 61 LYS C C 61 174.700 175.180 -0.480 1
1 779 . 1 1 1 A 61 61 LYS CA C 61 53.800 54.651 -0.851 1
1 780 . 1 1 1 A 61 61 LYS CB C 61 31.300 35.572 -4.272 1
1 784 . 1 1 1 A 61 61 LYS N N 61 124.900 124.061 0.839 1
1 785 . 1 1 1 A 62 62 ASN H H 62 8.400 8.598 -0.198 1
1 786 . 1 1 1 A 62 62 ASN HA H 62 4.910 5.137 -0.227 1
1 789 . 1 1 1 A 62 62 ASN C C 62 175.500 175.192 0.308 1
1 790 . 1 1 1 A 62 62 ASN CA C 62 52.400 51.344 1.056 1
1 791 . 1 1 1 A 62 62 ASN CB C 62 39.400 41.869 -2.469 1
1 792 . 1 1 1 A 62 62 ASN N N 62 121.800 117.600 4.200 1
1 793 . 1 1 1 A 63 63 ALA H H 63 8.960 8.587 0.373 1
1 794 . 1 1 1 A 63 63 ALA HA H 63 4.170 4.025 0.145 1
1 798 . 1 1 1 A 63 63 ALA C C 63 178.200 178.242 -0.042 1
1 799 . 1 1 1 A 63 63 ALA CA C 63 53.300 54.608 -1.308 1
1 800 . 1 1 1 A 63 63 ALA CB C 63 19.300 19.008 0.292 1
1 801 . 1 1 1 A 63 63 ALA N N 63 126.200 122.964 3.236 1
1 802 . 1 1 1 A 64 64 GLN H H 64 8.570 7.983 0.587 1
1 803 . 1 1 1 A 64 64 GLN HA H 64 4.280 4.237 0.043 1
1 810 . 1 1 1 A 64 64 GLN C C 64 176.200 176.216 -0.016 1
1 811 . 1 1 1 A 64 64 GLN CA C 64 56.300 57.783 -1.483 1
1 812 . 1 1 1 A 64 64 GLN CB C 64 29.400 28.591 0.809 1
1 814 . 1 1 1 A 64 64 GLN N N 64 119.900 116.443 3.457 1
1 816 . 1 1 1 A 65 65 LEU H H 65 8.080 8.760 -0.680 1
1 817 . 1 1 1 A 65 65 LEU HA H 65 4.320 4.083 0.237 1
1 827 . 1 1 1 A 65 65 LEU C C 65 177.200 176.572 0.628 1
1 828 . 1 1 1 A 65 65 LEU CA C 65 55.300 57.670 -2.370 1
1 829 . 1 1 1 A 65 65 LEU CB C 65 42.700 41.788 0.912 1
1 833 . 1 1 1 A 65 65 LEU N N 65 121.700 120.364 1.336 1
1 834 . 1 1 1 A 66 66 GLU H H 66 8.290 8.026 0.264 1
1 835 . 1 1 1 A 66 66 GLU HA H 66 4.190 3.782 0.408 1
1 840 . 1 1 1 A 66 66 GLU C C 66 176.300 175.983 0.317 1
1 841 . 1 1 1 A 66 66 GLU CA C 66 56.800 57.138 -0.338 1
1 842 . 1 1 1 A 66 66 GLU CB C 66 30.400 28.056 2.344 1
1 844 . 1 1 1 A 66 66 GLU N N 66 120.400 118.632 1.768 1
1 845 . 1 1 1 A 67 67 HIS H H 67 8.280 7.310 0.970 1
1 846 . 1 1 1 A 67 67 HIS HA H 67 4.620 4.461 0.159 1
1 850 . 1 1 1 A 67 67 HIS C C 67 173.900 174.612 -0.712 1
1 851 . 1 1 1 A 67 67 HIS CA C 67 55.900 56.036 -0.136 1
1 852 . 1 1 1 A 67 67 HIS CB C 67 30.100 30.036 0.064 1
1 854 . 1 1 1 A 67 67 HIS N N 67 119.300 116.678 2.622 1
1 855 . 1 1 1 A 68 68 HIS H H 68 8.180 8.180 0.000 1
1 856 . 1 1 1 A 68 68 HIS HA H 68 4.440 4.671 -0.231 1
1 859 . 1 1 1 A 68 68 HIS CA C 68 57.300 55.408 1.892 1
1 860 . 1 1 1 A 68 68 HIS CB C 68 30.200 29.085 1.115 1
1 861 . 1 1 1 A 68 68 HIS N N 68 125.300 120.312 4.988 1
1 2 . 2 1 1 A 2 2 VAL H H 2 8.100 8.107 -0.007 1
1 3 . 2 1 1 A 2 2 VAL HA H 2 4.090 4.397 -0.307 1
1 5 . 2 1 1 A 2 2 VAL C C 2 176.500 175.293 1.207 1
1 6 . 2 1 1 A 2 2 VAL CA C 2 62.300 61.030 1.270 1
1 7 . 2 1 1 A 2 2 VAL CB C 2 32.700 31.892 0.808 1
1 8 . 2 1 1 A 2 2 VAL N N 2 124.800 117.546 7.254 1
1 9 . 2 1 1 A 3 3 GLU H H 3 8.500 8.750 -0.250 1
1 10 . 2 1 1 A 3 3 GLU HA H 3 4.280 4.629 -0.349 1
1 15 . 2 1 1 A 3 3 GLU C C 3 175.900 176.661 -0.761 1
1 16 . 2 1 1 A 3 3 GLU CA C 3 56.500 57.103 -0.603 1
1 17 . 2 1 1 A 3 3 GLU CB C 3 30.400 32.386 -1.986 1
1 19 . 2 1 1 A 3 3 GLU N N 3 124.200 128.376 -4.176 1
1 20 . 2 1 1 A 4 4 ASN H H 4 8.500 7.940 0.560 1
1 21 . 2 1 1 A 4 4 ASN HA H 4 4.970 5.009 -0.039 1
1 26 . 2 1 1 A 4 4 ASN CA C 4 51.200 50.450 0.750 1
1 27 . 2 1 1 A 4 4 ASN CB C 4 39.000 39.758 -0.758 1
1 28 . 2 1 1 A 4 4 ASN N N 4 120.700 115.206 5.494 1
1 30 . 2 1 1 A 5 5 PRO HA H 5 4.390 4.504 -0.114 1
1 37 . 2 1 1 A 5 5 PRO C C 5 176.800 176.794 0.006 1
1 38 . 2 1 1 A 5 5 PRO CA C 5 63.500 62.863 0.637 1
1 39 . 2 1 1 A 5 5 PRO CB C 5 32.200 31.485 0.715 1
1 42 . 2 1 1 A 6 6 MET H H 6 8.300 8.501 -0.201 1
1 43 . 2 1 1 A 6 6 MET HA H 6 4.400 4.582 -0.182 1
1 51 . 2 1 1 A 6 6 MET C C 6 176.200 177.081 -0.881 1
1 52 . 2 1 1 A 6 6 MET CA C 6 55.800 55.144 0.656 1
1 53 . 2 1 1 A 6 6 MET CB C 6 32.600 31.573 1.027 1
1 56 . 2 1 1 A 6 6 MET N N 6 119.400 122.551 -3.151 1
1 57 . 2 1 1 A 7 7 VAL H H 7 7.980 8.083 -0.103 1
1 58 . 2 1 1 A 7 7 VAL HA H 7 4.080 4.122 -0.042 1
1 66 . 2 1 1 A 7 7 VAL C C 7 175.800 175.084 0.716 1
1 67 . 2 1 1 A 7 7 VAL CA C 7 62.400 63.706 -1.306 1
1 68 . 2 1 1 A 7 7 VAL CB C 7 32.800 32.124 0.676 1
1 71 . 2 1 1 A 7 7 VAL N N 7 121.500 118.910 2.590 1
1 72 . 2 1 1 A 8 8 ILE H H 8 8.140 7.805 0.335 1
1 73 . 2 1 1 A 8 8 ILE HA H 8 4.120 4.544 -0.424 1
1 83 . 2 1 1 A 8 8 ILE C C 8 175.800 174.098 1.702 1
1 84 . 2 1 1 A 8 8 ILE CA C 8 60.900 60.290 0.610 1
1 85 . 2 1 1 A 8 8 ILE CB C 8 38.600 39.307 -0.707 1
1 89 . 2 1 1 A 8 8 ILE N N 8 124.500 122.888 1.612 1
1 90 . 2 1 1 A 9 9 ASN H H 9 8.450 9.141 -0.691 1
1 91 . 2 1 1 A 9 9 ASN HA H 9 4.630 5.240 -0.610 1
1 96 . 2 1 1 A 9 9 ASN C C 9 174.700 173.378 1.322 1
1 97 . 2 1 1 A 9 9 ASN CA C 9 53.200 51.850 1.350 1
1 98 . 2 1 1 A 9 9 ASN CB C 9 39.000 39.014 -0.014 1
1 99 . 2 1 1 A 9 9 ASN N N 9 122.700 129.619 -6.919 1
1 101 . 2 1 1 A 10 10 ASN H H 10 8.320 9.016 -0.696 1
1 102 . 2 1 1 A 10 10 ASN HA H 10 4.680 5.238 -0.558 1
1 107 . 2 1 1 A 10 10 ASN C C 10 175.000 174.325 0.675 1
1 108 . 2 1 1 A 10 10 ASN CA C 10 53.100 51.582 1.518 1
1 109 . 2 1 1 A 10 10 ASN CB C 10 38.700 40.904 -2.204 1
1 110 . 2 1 1 A 10 10 ASN N N 10 119.600 123.625 -4.025 1
1 112 . 2 1 1 A 11 11 TRP H H 11 8.060 8.368 -0.308 1
1 113 . 2 1 1 A 11 11 TRP HA H 11 4.550 4.613 -0.063 1
1 122 . 2 1 1 A 11 11 TRP C C 11 176.200 176.080 0.120 1
1 123 . 2 1 1 A 11 11 TRP CA C 11 57.800 56.695 1.105 1
1 124 . 2 1 1 A 11 11 TRP CB C 11 29.300 30.108 -0.808 1
1 130 . 2 1 1 A 11 11 TRP N N 11 121.200 124.522 -3.322 1
1 132 . 2 1 1 A 12 12 HIS H H 12 7.980 9.095 -1.115 1
1 133 . 2 1 1 A 12 12 HIS HA H 12 4.410 4.864 -0.454 1
1 137 . 2 1 1 A 12 12 HIS C C 12 174.400 174.349 0.051 1
1 138 . 2 1 1 A 12 12 HIS CA C 12 56.200 56.512 -0.312 1
1 139 . 2 1 1 A 12 12 HIS CB C 12 29.600 32.095 -2.495 1
1 141 . 2 1 1 A 12 12 HIS N N 12 119.900 119.450 0.450 1
1 142 . 2 1 1 A 13 13 ASP H H 13 8.130 7.800 0.330 1
1 143 . 2 1 1 A 13 13 ASP HA H 13 4.470 4.932 -0.462 1
1 146 . 2 1 1 A 13 13 ASP C C 13 176.100 175.241 0.859 1
1 147 . 2 1 1 A 13 13 ASP CA C 13 54.700 55.755 -1.055 1
1 148 . 2 1 1 A 13 13 ASP CB C 13 41.100 43.172 -2.072 1
1 149 . 2 1 1 A 13 13 ASP N N 13 120.600 117.015 3.585 1
1 150 . 2 1 1 A 14 14 LYS H H 14 8.150 7.916 0.234 1
1 151 . 2 1 1 A 14 14 LYS HA H 14 4.270 4.717 -0.447 1
1 160 . 2 1 1 A 14 14 LYS C C 14 176.600 174.318 2.282 1
1 161 . 2 1 1 A 14 14 LYS CA C 14 56.500 55.080 1.420 1
1 162 . 2 1 1 A 14 14 LYS CB C 14 32.900 34.588 -1.688 1
1 166 . 2 1 1 A 14 14 LYS N N 14 120.900 114.554 6.346 1
1 167 . 2 1 1 A 15 15 LEU H H 15 8.220 8.697 -0.477 1
1 168 . 2 1 1 A 15 15 LEU HA H 15 4.360 5.182 -0.822 1
1 178 . 2 1 1 A 15 15 LEU C C 15 177.600 175.391 2.209 1
1 179 . 2 1 1 A 15 15 LEU CA C 15 55.600 52.801 2.799 1
1 180 . 2 1 1 A 15 15 LEU CB C 15 42.200 45.823 -3.623 1
1 184 . 2 1 1 A 15 15 LEU N N 15 122.500 116.085 6.415 1
1 185 . 2 1 1 A 16 16 THR H H 16 8.090 8.530 -0.440 1
1 186 . 2 1 1 A 16 16 THR HA H 16 4.340 4.420 -0.080 1
1 191 . 2 1 1 A 16 16 THR C C 16 174.700 174.479 0.221 1
1 192 . 2 1 1 A 16 16 THR CA C 16 61.700 60.993 0.707 1
1 193 . 2 1 1 A 16 16 THR CB C 16 70.000 70.599 -0.599 1
1 195 . 2 1 1 A 16 16 THR N N 16 113.800 114.780 -0.980 1
1 196 . 2 1 1 A 17 17 GLU H H 17 8.400 8.852 -0.452 1
1 197 . 2 1 1 A 17 17 GLU HA H 17 4.330 4.024 0.306 1
1 202 . 2 1 1 A 17 17 GLU C C 17 176.500 176.344 0.156 1
1 203 . 2 1 1 A 17 17 GLU CA C 17 56.900 57.021 -0.121 1
1 204 . 2 1 1 A 17 17 GLU CB C 17 30.200 28.231 1.969 1
1 206 . 2 1 1 A 17 17 GLU N N 17 122.700 121.437 1.263 1
1 207 . 2 1 1 A 18 18 THR H H 18 8.040 8.089 -0.049 1
1 208 . 2 1 1 A 18 18 THR HA H 18 4.350 4.486 -0.136 1
1 213 . 2 1 1 A 18 18 THR C C 18 174.000 174.597 -0.597 1
1 214 . 2 1 1 A 18 18 THR CA C 18 61.700 63.737 -2.037 1
1 215 . 2 1 1 A 18 18 THR CB C 18 69.800 70.631 -0.831 1
1 217 . 2 1 1 A 18 18 THR N N 18 113.600 114.891 -1.291 1
1 218 . 2 1 1 A 19 19 ASP H H 19 8.290 8.173 0.117 1
1 219 . 2 1 1 A 19 19 ASP HA H 19 4.640 4.868 -0.228 1
1 222 . 2 1 1 A 19 19 ASP C C 19 175.500 174.223 1.277 1
1 223 . 2 1 1 A 19 19 ASP CA C 19 54.500 52.793 1.707 1
1 224 . 2 1 1 A 19 19 ASP CB C 19 41.200 40.830 0.370 1
1 225 . 2 1 1 A 19 19 ASP N N 19 122.900 119.279 3.621 1
1 226 . 2 1 1 A 20 20 VAL H H 20 7.900 8.260 -0.360 1
1 227 . 2 1 1 A 20 20 VAL HA H 20 4.200 4.950 -0.750 1
1 235 . 2 1 1 A 20 20 VAL C C 20 175.400 174.384 1.016 1
1 236 . 2 1 1 A 20 20 VAL CA C 20 61.900 60.881 1.019 1
1 237 . 2 1 1 A 20 20 VAL CB C 20 33.500 34.249 -0.749 1
1 240 . 2 1 1 A 20 20 VAL N N 20 119.900 123.981 -4.081 1
1 241 . 2 1 1 A 21 21 GLN H H 21 8.490 8.510 -0.020 1
1 242 . 2 1 1 A 21 21 GLN HA H 21 4.510 4.994 -0.484 1
1 249 . 2 1 1 A 21 21 GLN C C 21 173.800 173.510 0.290 1
1 250 . 2 1 1 A 21 21 GLN CA C 21 54.700 53.631 1.069 1
1 251 . 2 1 1 A 21 21 GLN CB C 21 31.600 32.736 -1.136 1
1 253 . 2 1 1 A 21 21 GLN N N 21 124.800 123.451 1.349 1
1 255 . 2 1 1 A 22 22 ILE H H 22 8.070 8.655 -0.585 1
1 256 . 2 1 1 A 22 22 ILE HA H 22 4.820 4.728 0.092 1
1 266 . 2 1 1 A 22 22 ILE C C 22 175.500 175.557 -0.057 1
1 267 . 2 1 1 A 22 22 ILE CA C 22 58.700 59.188 -0.488 1
1 268 . 2 1 1 A 22 22 ILE CB C 22 39.800 41.890 -2.090 1
1 272 . 2 1 1 A 22 22 ILE N N 22 120.500 121.645 -1.145 1
1 273 . 2 1 1 A 23 23 ASP H H 23 9.340 8.655 0.685 1
1 274 . 2 1 1 A 23 23 ASP HA H 23 4.570 5.263 -0.693 1
1 277 . 2 1 1 A 23 23 ASP C C 23 178.600 176.432 2.168 1
1 278 . 2 1 1 A 23 23 ASP CA C 23 51.700 52.745 -1.045 1
1 279 . 2 1 1 A 23 23 ASP CB C 23 42.900 41.376 1.524 1
1 280 . 2 1 1 A 23 23 ASP N N 23 128.000 124.961 3.039 1
1 281 . 2 1 1 A 24 24 PHE H H 24 8.860 8.787 0.073 1
1 282 . 2 1 1 A 24 24 PHE HA H 24 3.960 4.184 -0.224 1
1 290 . 2 1 1 A 24 24 PHE C C 24 175.800 177.226 -1.426 1
1 291 . 2 1 1 A 24 24 PHE CA C 24 61.600 61.218 0.382 1
1 292 . 2 1 1 A 24 24 PHE CB C 24 41.800 39.257 2.543 1
1 298 . 2 1 1 A 24 24 PHE N N 24 118.500 119.469 -0.969 1
1 299 . 2 1 1 A 25 25 TYR H H 25 8.340 8.147 0.193 1
1 300 . 2 1 1 A 25 25 TYR HA H 25 4.400 4.517 -0.117 1
1 307 . 2 1 1 A 25 25 TYR C C 25 175.700 175.842 -0.142 1
1 308 . 2 1 1 A 25 25 TYR CA C 25 59.200 58.525 0.675 1
1 309 . 2 1 1 A 25 25 TYR CB C 25 38.700 38.624 0.076 1
1 314 . 2 1 1 A 25 25 TYR N N 25 114.500 114.773 -0.273 1
1 315 . 2 1 1 A 26 26 GLY H H 26 8.460 7.882 0.578 1
1 316 . 2 1 1 A 26 26 GLY HA2 H 26 4.230 3.964 0.266 1
1 317 . 2 1 1 A 26 26 GLY HA3 H 26 3.500 3.975 -0.475 1
1 318 . 2 1 1 A 26 26 GLY C C 26 174.700 174.317 0.383 1
1 319 . 2 1 1 A 26 26 GLY CA C 26 45.200 46.437 -1.237 1
1 320 . 2 1 1 A 26 26 GLY N N 26 109.700 108.789 0.911 1
1 321 . 2 1 1 A 27 27 ASP H H 27 8.400 7.827 0.573 1
1 322 . 2 1 1 A 27 27 ASP HA H 27 4.330 4.885 -0.555 1
1 325 . 2 1 1 A 27 27 ASP C C 27 175.700 175.574 0.126 1
1 326 . 2 1 1 A 27 27 ASP CA C 27 56.700 55.627 1.073 1
1 327 . 2 1 1 A 27 27 ASP CB C 27 30.300 41.720 -11.420 1
1 328 . 2 1 1 A 27 27 ASP N N 27 122.700 120.903 1.797 1
1 329 . 2 1 1 A 28 28 GLU H H 28 7.960 7.712 0.248 1
1 330 . 2 1 1 A 28 28 GLU HA H 28 4.280 4.587 -0.307 1
1 335 . 2 1 1 A 28 28 GLU C C 28 175.200 173.953 1.247 1
1 336 . 2 1 1 A 28 28 GLU CA C 28 57.400 56.295 1.105 1
1 337 . 2 1 1 A 28 28 GLU CB C 28 30.500 33.426 -2.926 1
1 339 . 2 1 1 A 28 28 GLU N N 28 126.100 117.586 8.514 1
1 340 . 2 1 1 A 29 29 VAL H H 29 8.550 8.885 -0.335 1
1 341 . 2 1 1 A 29 29 VAL HA H 29 4.180 4.893 -0.713 1
1 349 . 2 1 1 A 29 29 VAL C C 29 176.000 175.339 0.661 1
1 350 . 2 1 1 A 29 29 VAL CA C 29 61.500 61.039 0.461 1
1 351 . 2 1 1 A 29 29 VAL CB C 29 32.300 33.920 -1.620 1
1 354 . 2 1 1 A 29 29 VAL N N 29 123.500 125.515 -2.015 1
1 355 . 2 1 1 A 30 30 THR H H 30 9.720 8.852 0.868 1
1 356 . 2 1 1 A 30 30 THR HA H 30 5.010 4.902 0.108 1
1 361 . 2 1 1 A 30 30 THR CA C 30 60.800 58.448 2.352 1
1 362 . 2 1 1 A 30 30 THR CB C 30 68.700 69.876 -1.176 1
1 364 . 2 1 1 A 30 30 THR N N 30 122.300 117.782 4.518 1
1 365 . 2 1 1 A 31 31 PRO HA H 31 4.510 4.493 0.017 1
1 372 . 2 1 1 A 31 31 PRO C C 31 176.400 176.775 -0.375 1
1 373 . 2 1 1 A 31 31 PRO CA C 31 65.200 64.631 0.569 1
1 374 . 2 1 1 A 31 31 PRO CB C 31 32.600 31.978 0.622 1
1 377 . 2 1 1 A 32 32 VAL H H 32 6.830 8.023 -1.193 1
1 378 . 2 1 1 A 32 32 VAL HA H 32 4.450 4.196 0.254 1
1 386 . 2 1 1 A 32 32 VAL C C 32 175.700 174.820 0.880 1
1 387 . 2 1 1 A 32 32 VAL CA C 32 60.600 61.712 -1.112 1
1 388 . 2 1 1 A 32 32 VAL CB C 32 31.200 32.102 -0.902 1
1 391 . 2 1 1 A 32 32 VAL N N 32 105.600 114.003 -8.403 1
1 392 . 2 1 1 A 33 33 ASP H H 33 7.800 8.362 -0.562 1
1 393 . 2 1 1 A 33 33 ASP HA H 33 4.910 5.029 -0.119 1
1 396 . 2 1 1 A 33 33 ASP C C 33 174.900 175.584 -0.684 1
1 397 . 2 1 1 A 33 33 ASP CA C 33 55.100 53.477 1.623 1
1 398 . 2 1 1 A 33 33 ASP CB C 33 43.900 43.192 0.708 1
1 399 . 2 1 1 A 33 33 ASP N N 33 122.100 122.627 -0.527 1
1 400 . 2 1 1 A 34 34 ASP H H 34 8.810 8.669 0.141 1
1 401 . 2 1 1 A 34 34 ASP HA H 34 5.060 4.983 0.077 1
1 404 . 2 1 1 A 34 34 ASP C C 34 176.500 175.464 1.036 1
1 405 . 2 1 1 A 34 34 ASP CA C 34 53.700 54.221 -0.521 1
1 406 . 2 1 1 A 34 34 ASP CB C 34 41.600 41.259 0.341 1
1 407 . 2 1 1 A 34 34 ASP N N 34 121.800 122.806 -1.006 1
1 408 . 2 1 1 A 35 35 TYR H H 35 8.570 8.757 -0.187 1
1 409 . 2 1 1 A 35 35 TYR HA H 35 5.220 5.490 -0.270 1
1 416 . 2 1 1 A 35 35 TYR C C 35 171.800 173.287 -1.487 1
1 417 . 2 1 1 A 35 35 TYR CA C 35 56.300 55.958 0.342 1
1 418 . 2 1 1 A 35 35 TYR CB C 35 40.700 41.963 -1.263 1
1 423 . 2 1 1 A 35 35 TYR N N 35 117.900 120.490 -2.590 1
1 424 . 2 1 1 A 36 36 VAL H H 36 9.340 9.101 0.239 1
1 425 . 2 1 1 A 36 36 VAL HA H 36 4.660 4.685 -0.025 1
1 433 . 2 1 1 A 36 36 VAL C C 36 173.300 174.881 -1.581 1
1 434 . 2 1 1 A 36 36 VAL CA C 36 59.300 60.344 -1.044 1
1 435 . 2 1 1 A 36 36 VAL CB C 36 35.100 35.952 -0.852 1
1 438 . 2 1 1 A 36 36 VAL N N 36 120.700 120.122 0.578 1
1 439 . 2 1 1 A 37 37 ILE H H 37 8.820 8.846 -0.026 1
1 440 . 2 1 1 A 37 37 ILE HA H 37 4.820 4.984 -0.164 1
1 450 . 2 1 1 A 37 37 ILE C C 37 175.500 173.933 1.567 1
1 451 . 2 1 1 A 37 37 ILE CA C 37 59.700 59.888 -0.188 1
1 452 . 2 1 1 A 37 37 ILE CB C 37 40.600 38.731 1.869 1
1 456 . 2 1 1 A 37 37 ILE N N 37 124.100 127.205 -3.105 1
1 457 . 2 1 1 A 38 38 ASP H H 38 8.280 8.931 -0.651 1
1 458 . 2 1 1 A 38 38 ASP HA H 38 4.430 5.064 -0.634 1
1 461 . 2 1 1 A 38 38 ASP C C 38 177.000 176.450 0.550 1
1 462 . 2 1 1 A 38 38 ASP CA C 38 51.400 52.706 -1.306 1
1 463 . 2 1 1 A 38 38 ASP CB C 38 41.200 41.959 -0.759 1
1 464 . 2 1 1 A 38 38 ASP N N 38 126.600 127.573 -0.973 1
1 465 . 2 1 1 A 39 39 GLY H H 39 8.910 8.710 0.200 1
1 466 . 2 1 1 A 39 39 GLY HA2 H 39 3.640 3.979 -0.339 1
1 467 . 2 1 1 A 39 39 GLY HA3 H 39 3.850 4.011 -0.161 1
1 468 . 2 1 1 A 39 39 GLY C C 39 174.500 174.525 -0.025 1
1 469 . 2 1 1 A 39 39 GLY CA C 39 47.600 45.411 2.189 1
1 470 . 2 1 1 A 39 39 GLY N N 39 114.900 114.053 0.847 1
1 471 . 2 1 1 A 40 40 GLY H H 40 8.220 8.547 -0.327 1
1 472 . 2 1 1 A 40 40 GLY HA2 H 40 3.900 4.086 -0.186 1
1 473 . 2 1 1 A 40 40 GLY HA3 H 40 3.900 4.093 -0.193 1
1 474 . 2 1 1 A 40 40 GLY C C 40 173.900 174.728 -0.828 1
1 475 . 2 1 1 A 40 40 GLY CA C 40 45.000 45.373 -0.373 1
1 476 . 2 1 1 A 40 40 GLY N N 40 112.200 107.342 4.858 1
1 477 . 2 1 1 A 41 41 GLU H H 41 7.770 7.416 0.354 1
1 478 . 2 1 1 A 41 41 GLU HA H 41 4.750 4.439 0.311 1
1 483 . 2 1 1 A 41 41 GLU C C 41 174.800 176.117 -1.317 1
1 484 . 2 1 1 A 41 41 GLU CA C 41 54.300 56.368 -2.068 1
1 485 . 2 1 1 A 41 41 GLU CB C 41 30.300 30.527 -0.227 1
1 487 . 2 1 1 A 41 41 GLU N N 41 120.200 120.778 -0.578 1
1 488 . 2 1 1 A 42 42 ILE H H 42 8.720 8.560 0.160 1
1 489 . 2 1 1 A 42 42 ILE HA H 42 4.780 4.686 0.094 1
1 499 . 2 1 1 A 42 42 ILE C C 42 174.800 175.142 -0.342 1
1 500 . 2 1 1 A 42 42 ILE CA C 42 59.200 61.008 -1.808 1
1 501 . 2 1 1 A 42 42 ILE CB C 42 40.300 38.291 2.009 1
1 505 . 2 1 1 A 42 42 ILE N N 42 122.000 124.255 -2.255 1
1 506 . 2 1 1 A 43 43 ILE H H 43 9.230 9.008 0.222 1
1 507 . 2 1 1 A 43 43 ILE HA H 43 4.480 4.527 -0.047 1
1 517 . 2 1 1 A 43 43 ILE C C 43 176.400 175.556 0.844 1
1 518 . 2 1 1 A 43 43 ILE CA C 43 61.000 60.163 0.837 1
1 519 . 2 1 1 A 43 43 ILE CB C 43 42.300 41.350 0.950 1
1 523 . 2 1 1 A 43 43 ILE N N 43 126.400 126.844 -0.444 1
1 524 . 2 1 1 A 44 44 LEU H H 44 10.930 8.532 2.398 1
1 525 . 2 1 1 A 44 44 LEU HA H 44 4.280 4.355 -0.075 1
1 535 . 2 1 1 A 44 44 LEU C C 44 179.300 178.347 0.953 1
1 536 . 2 1 1 A 44 44 LEU CA C 44 56.500 55.516 0.984 1
1 537 . 2 1 1 A 44 44 LEU CB C 44 42.600 42.303 0.297 1
1 541 . 2 1 1 A 44 44 LEU N N 44 130.900 127.894 3.006 1
1 542 . 2 1 1 A 45 45 ARG H H 45 8.610 9.292 -0.682 1
1 543 . 2 1 1 A 45 45 ARG HA H 45 3.890 4.100 -0.210 1
1 551 . 2 1 1 A 45 45 ARG C C 45 179.300 177.505 1.795 1
1 552 . 2 1 1 A 45 45 ARG CA C 45 60.200 58.556 1.644 1
1 553 . 2 1 1 A 45 45 ARG CB C 45 29.400 29.907 -0.507 1
1 556 . 2 1 1 A 45 45 ARG N N 45 125.400 122.229 3.171 1
1 558 . 2 1 1 A 46 46 GLU H H 46 9.020 8.088 0.932 1
1 559 . 2 1 1 A 46 46 GLU HA H 46 4.210 4.114 0.096 1
1 564 . 2 1 1 A 46 46 GLU C C 46 176.700 177.444 -0.744 1
1 565 . 2 1 1 A 46 46 GLU CA C 46 59.000 58.148 0.852 1
1 566 . 2 1 1 A 46 46 GLU CB C 46 29.600 30.033 -0.433 1
1 568 . 2 1 1 A 46 46 GLU N N 46 117.500 118.272 -0.772 1
1 569 . 2 1 1 A 47 47 ASN H H 47 7.870 7.948 -0.078 1
1 570 . 2 1 1 A 47 47 ASN HA H 47 5.100 4.716 0.384 1
1 573 . 2 1 1 A 47 47 ASN C C 47 175.200 176.396 -1.196 1
1 574 . 2 1 1 A 47 47 ASN CA C 47 52.800 53.533 -0.733 1
1 575 . 2 1 1 A 47 47 ASN CB C 47 40.500 39.449 1.051 1
1 576 . 2 1 1 A 47 47 ASN N N 47 115.900 115.468 0.432 1
1 577 . 2 1 1 A 48 48 LEU H H 48 7.760 7.966 -0.206 1
1 578 . 2 1 1 A 48 48 LEU HA H 48 4.060 4.134 -0.074 1
1 588 . 2 1 1 A 48 48 LEU C C 48 177.200 178.700 -1.500 1
1 589 . 2 1 1 A 48 48 LEU CA C 48 59.000 57.901 1.099 1
1 590 . 2 1 1 A 48 48 LEU CB C 48 42.800 41.854 0.946 1
1 594 . 2 1 1 A 48 48 LEU N N 48 122.300 121.908 0.392 1
1 595 . 2 1 1 A 49 49 GLU H H 49 8.770 8.444 0.326 1
1 596 . 2 1 1 A 49 49 GLU HA H 49 3.670 3.957 -0.287 1
1 601 . 2 1 1 A 49 49 GLU C C 49 176.200 178.914 -2.714 1
1 602 . 2 1 1 A 49 49 GLU CA C 49 61.300 59.791 1.509 1
1 603 . 2 1 1 A 49 49 GLU CB C 49 28.200 29.218 -1.018 1
1 605 . 2 1 1 A 49 49 GLU N N 49 118.800 119.003 -0.203 1
1 606 . 2 1 1 A 50 50 ARG H H 50 8.000 8.212 -0.212 1
1 607 . 2 1 1 A 50 50 ARG HA H 50 3.860 4.048 -0.188 1
1 615 . 2 1 1 A 50 50 ARG C C 50 174.100 178.675 -4.575 1
1 616 . 2 1 1 A 50 50 ARG CA C 50 60.100 58.971 1.129 1
1 617 . 2 1 1 A 50 50 ARG CB C 50 29.900 29.834 0.066 1
1 620 . 2 1 1 A 50 50 ARG N N 50 119.100 120.475 -1.375 1
1 622 . 2 1 1 A 51 51 TYR H H 51 8.250 7.920 0.330 1
1 623 . 2 1 1 A 51 51 TYR HA H 51 4.610 4.133 0.477 1
1 630 . 2 1 1 A 51 51 TYR C C 51 178.500 177.116 1.384 1
1 631 . 2 1 1 A 51 51 TYR CA C 51 61.700 61.451 0.249 1
1 632 . 2 1 1 A 51 51 TYR CB C 51 40.000 38.754 1.246 1
1 637 . 2 1 1 A 51 51 TYR N N 51 120.400 121.179 -0.779 1
1 638 . 2 1 1 A 52 52 LEU H H 52 9.030 8.751 0.279 1
1 639 . 2 1 1 A 52 52 LEU HA H 52 3.690 3.968 -0.278 1
1 649 . 2 1 1 A 52 52 LEU C C 52 180.000 178.842 1.158 1
1 650 . 2 1 1 A 52 52 LEU CA C 52 57.600 57.392 0.208 1
1 651 . 2 1 1 A 52 52 LEU CB C 52 40.800 41.424 -0.624 1
1 655 . 2 1 1 A 52 52 LEU N N 52 118.300 118.886 -0.586 1
1 656 . 2 1 1 A 53 53 ARG H H 53 8.530 7.778 0.752 1
1 657 . 2 1 1 A 53 53 ARG HA H 53 4.820 4.061 0.759 1
1 665 . 2 1 1 A 53 53 ARG C C 53 179.100 178.211 0.889 1
1 666 . 2 1 1 A 53 53 ARG CA C 53 59.300 59.051 0.249 1
1 667 . 2 1 1 A 53 53 ARG CB C 53 31.900 29.575 2.325 1
1 670 . 2 1 1 A 53 53 ARG N N 53 119.400 120.938 -1.538 1
1 672 . 2 1 1 A 54 54 GLU H H 54 9.090 7.770 1.320 1
1 673 . 2 1 1 A 54 54 GLU HA H 54 4.100 4.239 -0.139 1
1 678 . 2 1 1 A 54 54 GLU C C 54 178.700 178.316 0.384 1
1 679 . 2 1 1 A 54 54 GLU CA C 54 59.300 58.396 0.904 1
1 680 . 2 1 1 A 54 54 GLU CB C 54 31.000 30.617 0.383 1
1 682 . 2 1 1 A 54 54 GLU N N 54 116.700 118.244 -1.544 1
1 683 . 2 1 1 A 55 55 GLN H H 55 8.760 7.824 0.936 1
1 684 . 2 1 1 A 55 55 GLN HA H 55 4.290 4.026 0.264 1
1 691 . 2 1 1 A 55 55 GLN C C 55 177.700 175.610 2.090 1
1 692 . 2 1 1 A 55 55 GLN CA C 55 55.800 57.776 -1.976 1
1 693 . 2 1 1 A 55 55 GLN CB C 55 28.000 29.078 -1.078 1
1 695 . 2 1 1 A 55 55 GLN N N 55 113.900 119.942 -6.042 1
1 697 . 2 1 1 A 56 56 LEU H H 56 6.650 8.007 -1.357 1
1 698 . 2 1 1 A 56 56 LEU HA H 56 4.700 3.940 0.760 1
1 708 . 2 1 1 A 56 56 LEU C C 56 178.000 177.312 0.688 1
1 709 . 2 1 1 A 56 56 LEU CA C 56 55.300 55.839 -0.539 1
1 710 . 2 1 1 A 56 56 LEU CB C 56 43.800 41.057 2.743 1
1 714 . 2 1 1 A 56 56 LEU N N 56 116.200 119.602 -3.402 1
1 715 . 2 1 1 A 57 57 GLY H H 57 7.160 8.126 -0.966 1
1 716 . 2 1 1 A 57 57 GLY HA2 H 57 4.070 3.502 0.568 1
1 717 . 2 1 1 A 57 57 GLY HA3 H 57 4.070 3.851 0.219 1
1 718 . 2 1 1 A 57 57 GLY C C 57 175.000 173.884 1.116 1
1 719 . 2 1 1 A 57 57 GLY CA C 57 46.900 44.783 2.117 1
1 720 . 2 1 1 A 57 57 GLY N N 57 109.000 106.021 2.979 1
1 721 . 2 1 1 A 58 58 PHE H H 58 8.480 7.684 0.796 1
1 722 . 2 1 1 A 58 58 PHE HA H 58 4.690 4.510 0.180 1
1 730 . 2 1 1 A 58 58 PHE C C 58 175.700 174.450 1.250 1
1 731 . 2 1 1 A 58 58 PHE CA C 58 57.900 59.973 -2.073 1
1 732 . 2 1 1 A 58 58 PHE CB C 58 39.500 37.372 2.128 1
1 738 . 2 1 1 A 58 58 PHE N N 58 123.100 115.643 7.457 1
1 739 . 2 1 1 A 59 59 GLU H H 59 8.440 8.621 -0.181 1
1 740 . 2 1 1 A 59 59 GLU HA H 59 4.820 4.575 0.245 1
1 745 . 2 1 1 A 59 59 GLU C C 59 174.700 175.121 -0.421 1
1 746 . 2 1 1 A 59 59 GLU CA C 59 54.600 54.608 -0.008 1
1 747 . 2 1 1 A 59 59 GLU CB C 59 32.800 30.495 2.305 1
1 749 . 2 1 1 A 59 59 GLU N N 59 118.600 123.607 -5.007 1
1 750 . 2 1 1 A 60 60 PHE H H 60 9.110 9.027 0.083 1
1 751 . 2 1 1 A 60 60 PHE HA H 60 4.470 4.998 -0.528 1
1 759 . 2 1 1 A 60 60 PHE C C 60 175.100 175.053 0.047 1
1 760 . 2 1 1 A 60 60 PHE CA C 60 58.100 57.150 0.950 1
1 761 . 2 1 1 A 60 60 PHE CB C 60 39.900 39.114 0.786 1
1 767 . 2 1 1 A 60 60 PHE N N 60 124.300 126.672 -2.372 1
1 768 . 2 1 1 A 61 61 LYS H H 61 8.510 8.984 -0.474 1
1 769 . 2 1 1 A 61 61 LYS HA H 61 4.360 4.820 -0.460 1
1 778 . 2 1 1 A 61 61 LYS C C 61 174.700 175.429 -0.729 1
1 779 . 2 1 1 A 61 61 LYS CA C 61 53.800 54.946 -1.146 1
1 780 . 2 1 1 A 61 61 LYS CB C 61 31.300 33.017 -1.717 1
1 784 . 2 1 1 A 61 61 LYS N N 61 124.900 124.927 -0.027 1
1 785 . 2 1 1 A 62 62 ASN H H 62 8.400 8.983 -0.583 1
1 786 . 2 1 1 A 62 62 ASN HA H 62 4.910 5.071 -0.161 1
1 789 . 2 1 1 A 62 62 ASN C C 62 175.500 175.135 0.365 1
1 790 . 2 1 1 A 62 62 ASN CA C 62 52.400 52.170 0.230 1
1 791 . 2 1 1 A 62 62 ASN CB C 62 39.400 36.618 2.782 1
1 792 . 2 1 1 A 62 62 ASN N N 62 121.800 125.156 -3.356 1
1 793 . 2 1 1 A 63 63 ALA H H 63 8.960 8.356 0.604 1
1 794 . 2 1 1 A 63 63 ALA HA H 63 4.170 3.901 0.269 1
1 798 . 2 1 1 A 63 63 ALA C C 63 178.200 177.332 0.868 1
1 799 . 2 1 1 A 63 63 ALA CA C 63 53.300 54.574 -1.274 1
1 800 . 2 1 1 A 63 63 ALA CB C 63 19.300 18.076 1.224 1
1 801 . 2 1 1 A 63 63 ALA N N 63 126.200 119.295 6.905 1
1 802 . 2 1 1 A 64 64 GLN H H 64 8.570 8.098 0.472 1
1 803 . 2 1 1 A 64 64 GLN HA H 64 4.280 4.539 -0.259 1
1 810 . 2 1 1 A 64 64 GLN C C 64 176.200 175.734 0.466 1
1 811 . 2 1 1 A 64 64 GLN CA C 64 56.300 55.164 1.136 1
1 812 . 2 1 1 A 64 64 GLN CB C 64 29.400 29.886 -0.486 1
1 814 . 2 1 1 A 64 64 GLN N N 64 119.900 113.752 6.148 1
1 816 . 2 1 1 A 65 65 LEU H H 65 8.080 7.327 0.753 1
1 817 . 2 1 1 A 65 65 LEU HA H 65 4.320 4.015 0.305 1
1 827 . 2 1 1 A 65 65 LEU C C 65 177.200 175.981 1.219 1
1 828 . 2 1 1 A 65 65 LEU CA C 65 55.300 54.960 0.340 1
1 829 . 2 1 1 A 65 65 LEU CB C 65 42.700 42.007 0.693 1
1 833 . 2 1 1 A 65 65 LEU N N 65 121.700 123.478 -1.778 1
1 834 . 2 1 1 A 66 66 GLU H H 66 8.290 8.601 -0.311 1
1 835 . 2 1 1 A 66 66 GLU HA H 66 4.190 4.342 -0.152 1
1 840 . 2 1 1 A 66 66 GLU C C 66 176.300 175.970 0.330 1
1 841 . 2 1 1 A 66 66 GLU CA C 66 56.800 55.722 1.078 1
1 842 . 2 1 1 A 66 66 GLU CB C 66 30.400 28.462 1.938 1
1 844 . 2 1 1 A 66 66 GLU N N 66 120.400 125.104 -4.704 1
1 845 . 2 1 1 A 67 67 HIS H H 67 8.280 7.986 0.294 1
1 846 . 2 1 1 A 67 67 HIS HA H 67 4.620 4.822 -0.202 1
1 850 . 2 1 1 A 67 67 HIS C C 67 173.900 174.561 -0.661 1
1 851 . 2 1 1 A 67 67 HIS CA C 67 55.900 55.356 0.544 1
1 852 . 2 1 1 A 67 67 HIS CB C 67 30.100 29.645 0.455 1
1 854 . 2 1 1 A 67 67 HIS N N 67 119.300 125.844 -6.544 1
1 855 . 2 1 1 A 68 68 HIS H H 68 8.180 7.592 0.588 1
1 856 . 2 1 1 A 68 68 HIS HA H 68 4.440 4.244 0.196 1
1 859 . 2 1 1 A 68 68 HIS CA C 68 57.300 56.186 1.114 1
1 860 . 2 1 1 A 68 68 HIS CB C 68 30.200 29.513 0.687 1
1 861 . 2 1 1 A 68 68 HIS N N 68 125.300 118.485 6.815 1
1 2 . 3 1 1 A 2 2 VAL H H 2 8.100 7.594 0.506 1
1 3 . 3 1 1 A 2 2 VAL HA H 2 4.090 4.466 -0.376 1
1 5 . 3 1 1 A 2 2 VAL C C 2 176.500 176.982 -0.482 1
1 6 . 3 1 1 A 2 2 VAL CA C 2 62.300 60.845 1.455 1
1 7 . 3 1 1 A 2 2 VAL CB C 2 32.700 32.204 0.496 1
1 8 . 3 1 1 A 2 2 VAL N N 2 124.800 114.045 10.755 1
1 9 . 3 1 1 A 3 3 GLU H H 3 8.500 7.843 0.657 1
1 10 . 3 1 1 A 3 3 GLU HA H 3 4.280 4.067 0.213 1
1 15 . 3 1 1 A 3 3 GLU C C 3 175.900 176.703 -0.803 1
1 16 . 3 1 1 A 3 3 GLU CA C 3 56.500 59.026 -2.526 1
1 17 . 3 1 1 A 3 3 GLU CB C 3 30.400 29.690 0.710 1
1 19 . 3 1 1 A 3 3 GLU N N 3 124.200 120.490 3.710 1
1 20 . 3 1 1 A 4 4 ASN H H 4 8.500 7.997 0.503 1
1 21 . 3 1 1 A 4 4 ASN HA H 4 4.970 4.470 0.500 1
1 26 . 3 1 1 A 4 4 ASN CA C 4 51.200 53.552 -2.352 1
1 27 . 3 1 1 A 4 4 ASN CB C 4 39.000 37.136 1.864 1
1 28 . 3 1 1 A 4 4 ASN N N 4 120.700 114.714 5.986 1
1 30 . 3 1 1 A 5 5 PRO HA H 5 4.390 4.664 -0.274 1
1 37 . 3 1 1 A 5 5 PRO C C 5 176.800 176.772 0.028 1
1 38 . 3 1 1 A 5 5 PRO CA C 5 63.500 62.551 0.949 1
1 39 . 3 1 1 A 5 5 PRO CB C 5 32.200 31.320 0.880 1
1 42 . 3 1 1 A 6 6 MET H H 6 8.300 8.420 -0.120 1
1 43 . 3 1 1 A 6 6 MET HA H 6 4.400 4.519 -0.119 1
1 51 . 3 1 1 A 6 6 MET C C 6 176.200 176.352 -0.152 1
1 52 . 3 1 1 A 6 6 MET CA C 6 55.800 55.162 0.638 1
1 53 . 3 1 1 A 6 6 MET CB C 6 32.600 32.736 -0.136 1
1 56 . 3 1 1 A 6 6 MET N N 6 119.400 120.271 -0.871 1
1 57 . 3 1 1 A 7 7 VAL H H 7 7.980 8.585 -0.605 1
1 58 . 3 1 1 A 7 7 VAL HA H 7 4.080 4.090 -0.010 1
1 66 . 3 1 1 A 7 7 VAL C C 7 175.800 175.004 0.796 1
1 67 . 3 1 1 A 7 7 VAL CA C 7 62.400 63.812 -1.412 1
1 68 . 3 1 1 A 7 7 VAL CB C 7 32.800 32.329 0.471 1
1 71 . 3 1 1 A 7 7 VAL N N 7 121.500 122.103 -0.603 1
1 72 . 3 1 1 A 8 8 ILE H H 8 8.140 7.778 0.362 1
1 73 . 3 1 1 A 8 8 ILE HA H 8 4.120 4.789 -0.669 1
1 83 . 3 1 1 A 8 8 ILE C C 8 175.800 173.552 2.248 1
1 84 . 3 1 1 A 8 8 ILE CA C 8 60.900 59.315 1.585 1
1 85 . 3 1 1 A 8 8 ILE CB C 8 38.600 41.821 -3.221 1
1 89 . 3 1 1 A 8 8 ILE N N 8 124.500 120.922 3.578 1
1 90 . 3 1 1 A 9 9 ASN H H 9 8.450 8.811 -0.361 1
1 91 . 3 1 1 A 9 9 ASN HA H 9 4.630 5.119 -0.489 1
1 96 . 3 1 1 A 9 9 ASN C C 9 174.700 172.792 1.908 1
1 97 . 3 1 1 A 9 9 ASN CA C 9 53.200 51.282 1.918 1
1 98 . 3 1 1 A 9 9 ASN CB C 9 39.000 41.550 -2.550 1
1 99 . 3 1 1 A 9 9 ASN N N 9 122.700 125.676 -2.976 1
1 101 . 3 1 1 A 10 10 ASN H H 10 8.320 8.540 -0.220 1
1 102 . 3 1 1 A 10 10 ASN HA H 10 4.680 4.712 -0.032 1
1 107 . 3 1 1 A 10 10 ASN C C 10 175.000 173.806 1.194 1
1 108 . 3 1 1 A 10 10 ASN CA C 10 53.100 51.444 1.656 1
1 109 . 3 1 1 A 10 10 ASN CB C 10 38.700 39.081 -0.381 1
1 110 . 3 1 1 A 10 10 ASN N N 10 119.600 120.667 -1.067 1
1 112 . 3 1 1 A 11 11 TRP H H 11 8.060 8.917 -0.857 1
1 113 . 3 1 1 A 11 11 TRP HA H 11 4.550 5.086 -0.536 1
1 122 . 3 1 1 A 11 11 TRP C C 11 176.200 176.361 -0.161 1
1 123 . 3 1 1 A 11 11 TRP CA C 11 57.800 56.217 1.583 1
1 124 . 3 1 1 A 11 11 TRP CB C 11 29.300 28.896 0.404 1
1 130 . 3 1 1 A 11 11 TRP N N 11 121.200 127.913 -6.713 1
1 132 . 3 1 1 A 12 12 HIS H H 12 7.980 8.815 -0.835 1
1 133 . 3 1 1 A 12 12 HIS HA H 12 4.410 5.563 -1.153 1
1 137 . 3 1 1 A 12 12 HIS C C 12 174.400 172.993 1.407 1
1 138 . 3 1 1 A 12 12 HIS CA C 12 56.200 53.732 2.468 1
1 139 . 3 1 1 A 12 12 HIS CB C 12 29.600 32.029 -2.429 1
1 141 . 3 1 1 A 12 12 HIS N N 12 119.900 120.805 -0.905 1
1 142 . 3 1 1 A 13 13 ASP H H 13 8.130 9.058 -0.928 1
1 143 . 3 1 1 A 13 13 ASP HA H 13 4.470 4.622 -0.152 1
1 146 . 3 1 1 A 13 13 ASP C C 13 176.100 174.586 1.514 1
1 147 . 3 1 1 A 13 13 ASP CA C 13 54.700 53.452 1.248 1
1 148 . 3 1 1 A 13 13 ASP CB C 13 41.100 39.933 1.167 1
1 149 . 3 1 1 A 13 13 ASP N N 13 120.600 122.529 -1.929 1
1 150 . 3 1 1 A 14 14 LYS H H 14 8.150 7.783 0.367 1
1 151 . 3 1 1 A 14 14 LYS HA H 14 4.270 4.623 -0.353 1
1 160 . 3 1 1 A 14 14 LYS C C 14 176.600 175.361 1.239 1
1 161 . 3 1 1 A 14 14 LYS CA C 14 56.500 56.108 0.392 1
1 162 . 3 1 1 A 14 14 LYS CB C 14 32.900 36.372 -3.472 1
1 166 . 3 1 1 A 14 14 LYS N N 14 120.900 124.600 -3.700 1
1 167 . 3 1 1 A 15 15 LEU H H 15 8.220 8.599 -0.379 1
1 168 . 3 1 1 A 15 15 LEU HA H 15 4.360 4.340 0.020 1
1 178 . 3 1 1 A 15 15 LEU C C 15 177.600 176.732 0.868 1
1 179 . 3 1 1 A 15 15 LEU CA C 15 55.600 56.237 -0.637 1
1 180 . 3 1 1 A 15 15 LEU CB C 15 42.200 42.469 -0.269 1
1 184 . 3 1 1 A 15 15 LEU N N 15 122.500 124.227 -1.727 1
1 185 . 3 1 1 A 16 16 THR H H 16 8.090 8.123 -0.033 1
1 186 . 3 1 1 A 16 16 THR HA H 16 4.340 4.577 -0.237 1
1 191 . 3 1 1 A 16 16 THR C C 16 174.700 174.576 0.124 1
1 192 . 3 1 1 A 16 16 THR CA C 16 61.700 61.995 -0.295 1
1 193 . 3 1 1 A 16 16 THR CB C 16 70.000 70.501 -0.501 1
1 195 . 3 1 1 A 16 16 THR N N 16 113.800 111.465 2.335 1
1 196 . 3 1 1 A 17 17 GLU H H 17 8.400 8.781 -0.381 1
1 197 . 3 1 1 A 17 17 GLU HA H 17 4.330 4.712 -0.382 1
1 202 . 3 1 1 A 17 17 GLU C C 17 176.500 176.641 -0.141 1
1 203 . 3 1 1 A 17 17 GLU CA C 17 56.900 55.457 1.443 1
1 204 . 3 1 1 A 17 17 GLU CB C 17 30.200 29.558 0.642 1
1 206 . 3 1 1 A 17 17 GLU N N 17 122.700 124.048 -1.348 1
1 207 . 3 1 1 A 18 18 THR H H 18 8.040 8.875 -0.835 1
1 208 . 3 1 1 A 18 18 THR HA H 18 4.350 4.219 0.131 1
1 213 . 3 1 1 A 18 18 THR C C 18 174.000 174.163 -0.163 1
1 214 . 3 1 1 A 18 18 THR CA C 18 61.700 64.384 -2.684 1
1 215 . 3 1 1 A 18 18 THR CB C 18 69.800 68.380 1.420 1
1 217 . 3 1 1 A 18 18 THR N N 18 113.600 120.150 -6.550 1
1 218 . 3 1 1 A 19 19 ASP H H 19 8.290 8.572 -0.282 1
1 219 . 3 1 1 A 19 19 ASP HA H 19 4.640 4.752 -0.112 1
1 222 . 3 1 1 A 19 19 ASP C C 19 175.500 175.565 -0.065 1
1 223 . 3 1 1 A 19 19 ASP CA C 19 54.500 53.258 1.242 1
1 224 . 3 1 1 A 19 19 ASP CB C 19 41.200 41.509 -0.309 1
1 225 . 3 1 1 A 19 19 ASP N N 19 122.900 124.089 -1.189 1
1 226 . 3 1 1 A 20 20 VAL H H 20 7.900 7.945 -0.045 1
1 227 . 3 1 1 A 20 20 VAL HA H 20 4.200 4.077 0.123 1
1 235 . 3 1 1 A 20 20 VAL C C 20 175.400 174.607 0.793 1
1 236 . 3 1 1 A 20 20 VAL CA C 20 61.900 62.487 -0.587 1
1 237 . 3 1 1 A 20 20 VAL CB C 20 33.500 30.137 3.363 1
1 240 . 3 1 1 A 20 20 VAL N N 20 119.900 121.453 -1.553 1
1 241 . 3 1 1 A 21 21 GLN H H 21 8.490 7.966 0.524 1
1 242 . 3 1 1 A 21 21 GLN HA H 21 4.510 4.904 -0.394 1
1 249 . 3 1 1 A 21 21 GLN C C 21 173.800 174.691 -0.891 1
1 250 . 3 1 1 A 21 21 GLN CA C 21 54.700 54.485 0.215 1
1 251 . 3 1 1 A 21 21 GLN CB C 21 31.600 30.945 0.655 1
1 253 . 3 1 1 A 21 21 GLN N N 21 124.800 125.121 -0.321 1
1 255 . 3 1 1 A 22 22 ILE H H 22 8.070 8.711 -0.641 1
1 256 . 3 1 1 A 22 22 ILE HA H 22 4.820 4.906 -0.086 1
1 266 . 3 1 1 A 22 22 ILE C C 22 175.500 175.620 -0.120 1
1 267 . 3 1 1 A 22 22 ILE CA C 22 58.700 59.308 -0.608 1
1 268 . 3 1 1 A 22 22 ILE CB C 22 39.800 41.476 -1.676 1
1 272 . 3 1 1 A 22 22 ILE N N 22 120.500 122.364 -1.864 1
1 273 . 3 1 1 A 23 23 ASP H H 23 9.340 8.434 0.906 1
1 274 . 3 1 1 A 23 23 ASP HA H 23 4.570 5.103 -0.533 1
1 277 . 3 1 1 A 23 23 ASP C C 23 178.600 176.145 2.455 1
1 278 . 3 1 1 A 23 23 ASP CA C 23 51.700 52.543 -0.843 1
1 279 . 3 1 1 A 23 23 ASP CB C 23 42.900 41.398 1.502 1
1 280 . 3 1 1 A 23 23 ASP N N 23 128.000 125.092 2.908 1
1 281 . 3 1 1 A 24 24 PHE H H 24 8.860 9.603 -0.743 1
1 282 . 3 1 1 A 24 24 PHE HA H 24 3.960 4.178 -0.218 1
1 290 . 3 1 1 A 24 24 PHE C C 24 175.800 177.206 -1.406 1
1 291 . 3 1 1 A 24 24 PHE CA C 24 61.600 62.155 -0.555 1
1 292 . 3 1 1 A 24 24 PHE CB C 24 41.800 39.491 2.309 1
1 298 . 3 1 1 A 24 24 PHE N N 24 118.500 119.557 -1.057 1
1 299 . 3 1 1 A 25 25 TYR H H 25 8.340 8.233 0.107 1
1 300 . 3 1 1 A 25 25 TYR HA H 25 4.400 4.417 -0.017 1
1 307 . 3 1 1 A 25 25 TYR C C 25 175.700 175.806 -0.106 1
1 308 . 3 1 1 A 25 25 TYR CA C 25 59.200 61.188 -1.988 1
1 309 . 3 1 1 A 25 25 TYR CB C 25 38.700 39.300 -0.600 1
1 314 . 3 1 1 A 25 25 TYR N N 25 114.500 119.984 -5.484 1
1 315 . 3 1 1 A 26 26 GLY H H 26 8.460 7.986 0.474 1
1 316 . 3 1 1 A 26 26 GLY HA2 H 26 4.230 4.033 0.197 1
1 317 . 3 1 1 A 26 26 GLY HA3 H 26 3.500 4.066 -0.566 1
1 318 . 3 1 1 A 26 26 GLY C C 26 174.700 173.848 0.852 1
1 319 . 3 1 1 A 26 26 GLY CA C 26 45.200 45.172 0.028 1
1 320 . 3 1 1 A 26 26 GLY N N 26 109.700 106.982 2.718 1
1 321 . 3 1 1 A 27 27 ASP H H 27 8.400 7.926 0.474 1
1 322 . 3 1 1 A 27 27 ASP HA H 27 4.330 5.047 -0.717 1
1 325 . 3 1 1 A 27 27 ASP C C 27 175.700 175.133 0.567 1
1 326 . 3 1 1 A 27 27 ASP CA C 27 56.700 52.688 4.012 1
1 327 . 3 1 1 A 27 27 ASP CB C 27 30.300 43.697 -13.397 1
1 328 . 3 1 1 A 27 27 ASP N N 27 122.700 120.795 1.905 1
1 329 . 3 1 1 A 28 28 GLU H H 28 7.960 8.543 -0.583 1
1 330 . 3 1 1 A 28 28 GLU HA H 28 4.280 4.579 -0.299 1
1 335 . 3 1 1 A 28 28 GLU C C 28 175.200 176.070 -0.870 1
1 336 . 3 1 1 A 28 28 GLU CA C 28 57.400 56.306 1.094 1
1 337 . 3 1 1 A 28 28 GLU CB C 28 30.500 30.250 0.250 1
1 339 . 3 1 1 A 28 28 GLU N N 28 126.100 122.719 3.381 1
1 340 . 3 1 1 A 29 29 VAL H H 29 8.550 9.276 -0.726 1
1 341 . 3 1 1 A 29 29 VAL HA H 29 4.180 4.432 -0.252 1
1 349 . 3 1 1 A 29 29 VAL C C 29 176.000 175.954 0.046 1
1 350 . 3 1 1 A 29 29 VAL CA C 29 61.500 61.391 0.109 1
1 351 . 3 1 1 A 29 29 VAL CB C 29 32.300 31.689 0.611 1
1 354 . 3 1 1 A 29 29 VAL N N 29 123.500 124.944 -1.444 1
1 355 . 3 1 1 A 30 30 THR H H 30 9.720 8.785 0.935 1
1 356 . 3 1 1 A 30 30 THR HA H 30 5.010 4.925 0.085 1
1 361 . 3 1 1 A 30 30 THR CA C 30 60.800 59.471 1.329 1
1 362 . 3 1 1 A 30 30 THR CB C 30 68.700 69.995 -1.295 1
1 364 . 3 1 1 A 30 30 THR N N 30 122.300 120.058 2.242 1
1 365 . 3 1 1 A 31 31 PRO HA H 31 4.510 4.528 -0.018 1
1 372 . 3 1 1 A 31 31 PRO C C 31 176.400 177.397 -0.997 1
1 373 . 3 1 1 A 31 31 PRO CA C 31 65.200 64.502 0.698 1
1 374 . 3 1 1 A 31 31 PRO CB C 31 32.600 31.809 0.791 1
1 377 . 3 1 1 A 32 32 VAL H H 32 6.830 7.498 -0.668 1
1 378 . 3 1 1 A 32 32 VAL HA H 32 4.450 4.277 0.173 1
1 386 . 3 1 1 A 32 32 VAL C C 32 175.700 174.914 0.786 1
1 387 . 3 1 1 A 32 32 VAL CA C 32 60.600 62.269 -1.669 1
1 388 . 3 1 1 A 32 32 VAL CB C 32 31.200 31.730 -0.530 1
1 391 . 3 1 1 A 32 32 VAL N N 32 105.600 115.203 -9.603 1
1 392 . 3 1 1 A 33 33 ASP H H 33 7.800 8.136 -0.336 1
1 393 . 3 1 1 A 33 33 ASP HA H 33 4.910 5.010 -0.100 1
1 396 . 3 1 1 A 33 33 ASP C C 33 174.900 175.103 -0.203 1
1 397 . 3 1 1 A 33 33 ASP CA C 33 55.100 53.132 1.968 1
1 398 . 3 1 1 A 33 33 ASP CB C 33 43.900 43.077 0.823 1
1 399 . 3 1 1 A 33 33 ASP N N 33 122.100 121.249 0.851 1
1 400 . 3 1 1 A 34 34 ASP H H 34 8.810 8.751 0.059 1
1 401 . 3 1 1 A 34 34 ASP HA H 34 5.060 5.048 0.012 1
1 404 . 3 1 1 A 34 34 ASP C C 34 176.500 175.495 1.005 1
1 405 . 3 1 1 A 34 34 ASP CA C 34 53.700 54.387 -0.687 1
1 406 . 3 1 1 A 34 34 ASP CB C 34 41.600 41.299 0.301 1
1 407 . 3 1 1 A 34 34 ASP N N 34 121.800 123.910 -2.110 1
1 408 . 3 1 1 A 35 35 TYR H H 35 8.570 8.818 -0.248 1
1 409 . 3 1 1 A 35 35 TYR HA H 35 5.220 5.499 -0.279 1
1 416 . 3 1 1 A 35 35 TYR C C 35 171.800 173.376 -1.576 1
1 417 . 3 1 1 A 35 35 TYR CA C 35 56.300 55.731 0.569 1
1 418 . 3 1 1 A 35 35 TYR CB C 35 40.700 41.365 -0.665 1
1 423 . 3 1 1 A 35 35 TYR N N 35 117.900 121.175 -3.275 1
1 424 . 3 1 1 A 36 36 VAL H H 36 9.340 8.811 0.529 1
1 425 . 3 1 1 A 36 36 VAL HA H 36 4.660 4.594 0.066 1
1 433 . 3 1 1 A 36 36 VAL C C 36 173.300 174.797 -1.497 1
1 434 . 3 1 1 A 36 36 VAL CA C 36 59.300 60.161 -0.861 1
1 435 . 3 1 1 A 36 36 VAL CB C 36 35.100 35.927 -0.827 1
1 438 . 3 1 1 A 36 36 VAL N N 36 120.700 119.482 1.218 1
1 439 . 3 1 1 A 37 37 ILE H H 37 8.820 8.810 0.010 1
1 440 . 3 1 1 A 37 37 ILE HA H 37 4.820 4.947 -0.127 1
1 450 . 3 1 1 A 37 37 ILE C C 37 175.500 173.570 1.930 1
1 451 . 3 1 1 A 37 37 ILE CA C 37 59.700 59.931 -0.231 1
1 452 . 3 1 1 A 37 37 ILE CB C 37 40.600 38.880 1.720 1
1 456 . 3 1 1 A 37 37 ILE N N 37 124.100 126.836 -2.736 1
1 457 . 3 1 1 A 38 38 ASP H H 38 8.280 8.890 -0.610 1
1 458 . 3 1 1 A 38 38 ASP HA H 38 4.430 4.795 -0.365 1
1 461 . 3 1 1 A 38 38 ASP C C 38 177.000 175.551 1.449 1
1 462 . 3 1 1 A 38 38 ASP CA C 38 51.400 52.224 -0.824 1
1 463 . 3 1 1 A 38 38 ASP CB C 38 41.200 41.576 -0.376 1
1 464 . 3 1 1 A 38 38 ASP N N 38 126.600 127.530 -0.930 1
1 465 . 3 1 1 A 39 39 GLY H H 39 8.910 8.766 0.144 1
1 466 . 3 1 1 A 39 39 GLY HA2 H 39 3.640 3.783 -0.143 1
1 467 . 3 1 1 A 39 39 GLY HA3 H 39 3.850 3.794 0.056 1
1 468 . 3 1 1 A 39 39 GLY C C 39 174.500 175.577 -1.077 1
1 469 . 3 1 1 A 39 39 GLY CA C 39 47.600 46.520 1.080 1
1 470 . 3 1 1 A 39 39 GLY N N 39 114.900 113.790 1.110 1
1 471 . 3 1 1 A 40 40 GLY H H 40 8.220 8.647 -0.427 1
1 472 . 3 1 1 A 40 40 GLY HA2 H 40 3.900 3.891 0.009 1
1 473 . 3 1 1 A 40 40 GLY HA3 H 40 3.900 3.892 0.008 1
1 474 . 3 1 1 A 40 40 GLY C C 40 173.900 173.529 0.371 1
1 475 . 3 1 1 A 40 40 GLY CA C 40 45.000 45.542 -0.542 1
1 476 . 3 1 1 A 40 40 GLY N N 40 112.200 107.070 5.130 1
1 477 . 3 1 1 A 41 41 GLU H H 41 7.770 8.028 -0.258 1
1 478 . 3 1 1 A 41 41 GLU HA H 41 4.750 4.589 0.161 1
1 483 . 3 1 1 A 41 41 GLU C C 41 174.800 175.968 -1.168 1
1 484 . 3 1 1 A 41 41 GLU CA C 41 54.300 55.622 -1.322 1
1 485 . 3 1 1 A 41 41 GLU CB C 41 30.300 30.995 -0.695 1
1 487 . 3 1 1 A 41 41 GLU N N 41 120.200 121.496 -1.296 1
1 488 . 3 1 1 A 42 42 ILE H H 42 8.720 8.659 0.061 1
1 489 . 3 1 1 A 42 42 ILE HA H 42 4.780 4.817 -0.037 1
1 499 . 3 1 1 A 42 42 ILE C C 42 174.800 175.148 -0.348 1
1 500 . 3 1 1 A 42 42 ILE CA C 42 59.200 60.475 -1.275 1
1 501 . 3 1 1 A 42 42 ILE CB C 42 40.300 39.157 1.143 1
1 505 . 3 1 1 A 42 42 ILE N N 42 122.000 125.922 -3.922 1
1 506 . 3 1 1 A 43 43 ILE H H 43 9.230 8.941 0.289 1
1 507 . 3 1 1 A 43 43 ILE HA H 43 4.480 4.748 -0.268 1
1 517 . 3 1 1 A 43 43 ILE C C 43 176.400 175.526 0.874 1
1 518 . 3 1 1 A 43 43 ILE CA C 43 61.000 60.352 0.648 1
1 519 . 3 1 1 A 43 43 ILE CB C 43 42.300 41.874 0.426 1
1 523 . 3 1 1 A 43 43 ILE N N 43 126.400 126.890 -0.490 1
1 524 . 3 1 1 A 44 44 LEU H H 44 10.930 8.659 2.271 1
1 525 . 3 1 1 A 44 44 LEU HA H 44 4.280 4.426 -0.146 1
1 535 . 3 1 1 A 44 44 LEU C C 44 179.300 177.933 1.367 1
1 536 . 3 1 1 A 44 44 LEU CA C 44 56.500 55.460 1.040 1
1 537 . 3 1 1 A 44 44 LEU CB C 44 42.600 41.968 0.632 1
1 541 . 3 1 1 A 44 44 LEU N N 44 130.900 127.648 3.252 1
1 542 . 3 1 1 A 45 45 ARG H H 45 8.610 8.805 -0.195 1
1 543 . 3 1 1 A 45 45 ARG HA H 45 3.890 3.997 -0.107 1
1 551 . 3 1 1 A 45 45 ARG C C 45 179.300 178.154 1.146 1
1 552 . 3 1 1 A 45 45 ARG CA C 45 60.200 59.100 1.100 1
1 553 . 3 1 1 A 45 45 ARG CB C 45 29.400 29.901 -0.501 1
1 556 . 3 1 1 A 45 45 ARG N N 45 125.400 124.602 0.798 1
1 558 . 3 1 1 A 46 46 GLU H H 46 9.020 7.837 1.183 1
1 559 . 3 1 1 A 46 46 GLU HA H 46 4.210 4.044 0.166 1
1 564 . 3 1 1 A 46 46 GLU C C 46 176.700 177.958 -1.258 1
1 565 . 3 1 1 A 46 46 GLU CA C 46 59.000 59.055 -0.055 1
1 566 . 3 1 1 A 46 46 GLU CB C 46 29.600 29.537 0.063 1
1 568 . 3 1 1 A 46 46 GLU N N 46 117.500 119.216 -1.716 1
1 569 . 3 1 1 A 47 47 ASN H H 47 7.870 7.511 0.359 1
1 570 . 3 1 1 A 47 47 ASN HA H 47 5.100 4.923 0.177 1
1 573 . 3 1 1 A 47 47 ASN C C 47 175.200 176.292 -1.092 1
1 574 . 3 1 1 A 47 47 ASN CA C 47 52.800 52.636 0.164 1
1 575 . 3 1 1 A 47 47 ASN CB C 47 40.500 38.687 1.813 1
1 576 . 3 1 1 A 47 47 ASN N N 47 115.900 116.919 -1.019 1
1 577 . 3 1 1 A 48 48 LEU H H 48 7.760 7.391 0.369 1
1 578 . 3 1 1 A 48 48 LEU HA H 48 4.060 4.104 -0.044 1
1 588 . 3 1 1 A 48 48 LEU C C 48 177.200 178.278 -1.078 1
1 589 . 3 1 1 A 48 48 LEU CA C 48 59.000 57.894 1.106 1
1 590 . 3 1 1 A 48 48 LEU CB C 48 42.800 41.907 0.893 1
1 594 . 3 1 1 A 48 48 LEU N N 48 122.300 121.265 1.035 1
1 595 . 3 1 1 A 49 49 GLU H H 49 8.770 8.347 0.423 1
1 596 . 3 1 1 A 49 49 GLU HA H 49 3.670 3.978 -0.308 1
1 601 . 3 1 1 A 49 49 GLU C C 49 176.200 178.466 -2.266 1
1 602 . 3 1 1 A 49 49 GLU CA C 49 61.300 59.652 1.648 1
1 603 . 3 1 1 A 49 49 GLU CB C 49 28.200 29.316 -1.116 1
1 605 . 3 1 1 A 49 49 GLU N N 49 118.800 119.168 -0.368 1
1 606 . 3 1 1 A 50 50 ARG H H 50 8.000 8.038 -0.038 1
1 607 . 3 1 1 A 50 50 ARG HA H 50 3.860 4.011 -0.151 1
1 615 . 3 1 1 A 50 50 ARG C C 50 174.100 178.273 -4.173 1
1 616 . 3 1 1 A 50 50 ARG CA C 50 60.100 59.093 1.007 1
1 617 . 3 1 1 A 50 50 ARG CB C 50 29.900 29.967 -0.067 1
1 620 . 3 1 1 A 50 50 ARG N N 50 119.100 120.238 -1.138 1
1 622 . 3 1 1 A 51 51 TYR H H 51 8.250 7.884 0.366 1
1 623 . 3 1 1 A 51 51 TYR HA H 51 4.610 4.081 0.529 1
1 630 . 3 1 1 A 51 51 TYR C C 51 178.500 176.906 1.594 1
1 631 . 3 1 1 A 51 51 TYR CA C 51 61.700 61.292 0.408 1
1 632 . 3 1 1 A 51 51 TYR CB C 51 40.000 38.576 1.424 1
1 637 . 3 1 1 A 51 51 TYR N N 51 120.400 120.879 -0.479 1
1 638 . 3 1 1 A 52 52 LEU H H 52 9.030 8.617 0.413 1
1 639 . 3 1 1 A 52 52 LEU HA H 52 3.690 3.937 -0.247 1
1 649 . 3 1 1 A 52 52 LEU C C 52 180.000 179.249 0.751 1
1 650 . 3 1 1 A 52 52 LEU CA C 52 57.600 57.489 0.111 1
1 651 . 3 1 1 A 52 52 LEU CB C 52 40.800 41.384 -0.584 1
1 655 . 3 1 1 A 52 52 LEU N N 52 118.300 118.855 -0.555 1
1 656 . 3 1 1 A 53 53 ARG H H 53 8.530 7.781 0.749 1
1 657 . 3 1 1 A 53 53 ARG HA H 53 4.820 3.991 0.829 1
1 665 . 3 1 1 A 53 53 ARG C C 53 179.100 178.626 0.474 1
1 666 . 3 1 1 A 53 53 ARG CA C 53 59.300 59.260 0.040 1
1 667 . 3 1 1 A 53 53 ARG CB C 53 31.900 29.550 2.350 1
1 670 . 3 1 1 A 53 53 ARG N N 53 119.400 120.786 -1.386 1
1 672 . 3 1 1 A 54 54 GLU H H 54 9.090 7.852 1.238 1
1 673 . 3 1 1 A 54 54 GLU HA H 54 4.100 4.298 -0.198 1
1 678 . 3 1 1 A 54 54 GLU C C 54 178.700 178.639 0.061 1
1 679 . 3 1 1 A 54 54 GLU CA C 54 59.300 58.728 0.572 1
1 680 . 3 1 1 A 54 54 GLU CB C 54 31.000 30.395 0.605 1
1 682 . 3 1 1 A 54 54 GLU N N 54 116.700 118.594 -1.894 1
1 683 . 3 1 1 A 55 55 GLN H H 55 8.760 7.888 0.872 1
1 684 . 3 1 1 A 55 55 GLN HA H 55 4.290 4.500 -0.210 1
1 691 . 3 1 1 A 55 55 GLN C C 55 177.700 176.528 1.172 1
1 692 . 3 1 1 A 55 55 GLN CA C 55 55.800 55.632 0.168 1
1 693 . 3 1 1 A 55 55 GLN CB C 55 28.000 29.783 -1.783 1
1 695 . 3 1 1 A 55 55 GLN N N 55 113.900 115.302 -1.402 1
1 697 . 3 1 1 A 56 56 LEU H H 56 6.650 7.842 -1.192 1
1 698 . 3 1 1 A 56 56 LEU HA H 56 4.700 3.922 0.778 1
1 708 . 3 1 1 A 56 56 LEU C C 56 178.000 175.716 2.284 1
1 709 . 3 1 1 A 56 56 LEU CA C 56 55.300 55.875 -0.575 1
1 710 . 3 1 1 A 56 56 LEU CB C 56 43.800 41.117 2.683 1
1 714 . 3 1 1 A 56 56 LEU N N 56 116.200 120.742 -4.542 1
1 715 . 3 1 1 A 57 57 GLY H H 57 7.160 8.019 -0.859 1
1 716 . 3 1 1 A 57 57 GLY HA2 H 57 4.070 3.426 0.644 1
1 717 . 3 1 1 A 57 57 GLY HA3 H 57 4.070 3.546 0.524 1
1 718 . 3 1 1 A 57 57 GLY C C 57 175.000 173.728 1.272 1
1 719 . 3 1 1 A 57 57 GLY CA C 57 46.900 45.128 1.772 1
1 720 . 3 1 1 A 57 57 GLY N N 57 109.000 104.891 4.109 1
1 721 . 3 1 1 A 58 58 PHE H H 58 8.480 7.705 0.775 1
1 722 . 3 1 1 A 58 58 PHE HA H 58 4.690 4.319 0.371 1
1 730 . 3 1 1 A 58 58 PHE C C 58 175.700 174.436 1.264 1
1 731 . 3 1 1 A 58 58 PHE CA C 58 57.900 57.586 0.314 1
1 732 . 3 1 1 A 58 58 PHE CB C 58 39.500 38.814 0.686 1
1 738 . 3 1 1 A 58 58 PHE N N 58 123.100 119.590 3.510 1
1 739 . 3 1 1 A 59 59 GLU H H 59 8.440 8.706 -0.266 1
1 740 . 3 1 1 A 59 59 GLU HA H 59 4.820 4.605 0.215 1
1 745 . 3 1 1 A 59 59 GLU C C 59 174.700 174.969 -0.269 1
1 746 . 3 1 1 A 59 59 GLU CA C 59 54.600 55.166 -0.566 1
1 747 . 3 1 1 A 59 59 GLU CB C 59 32.800 30.424 2.376 1
1 749 . 3 1 1 A 59 59 GLU N N 59 118.600 125.394 -6.794 1
1 750 . 3 1 1 A 60 60 PHE H H 60 9.110 9.102 0.008 1
1 751 . 3 1 1 A 60 60 PHE HA H 60 4.470 4.913 -0.443 1
1 759 . 3 1 1 A 60 60 PHE C C 60 175.100 175.414 -0.314 1
1 760 . 3 1 1 A 60 60 PHE CA C 60 58.100 58.132 -0.032 1
1 761 . 3 1 1 A 60 60 PHE CB C 60 39.900 39.068 0.832 1
1 767 . 3 1 1 A 60 60 PHE N N 60 124.300 126.822 -2.522 1
1 768 . 3 1 1 A 61 61 LYS H H 61 8.510 8.977 -0.467 1
1 769 . 3 1 1 A 61 61 LYS HA H 61 4.360 4.753 -0.393 1
1 778 . 3 1 1 A 61 61 LYS C C 61 174.700 175.849 -1.149 1
1 779 . 3 1 1 A 61 61 LYS CA C 61 53.800 55.107 -1.307 1
1 780 . 3 1 1 A 61 61 LYS CB C 61 31.300 33.341 -2.041 1
1 784 . 3 1 1 A 61 61 LYS N N 61 124.900 124.890 0.010 1
1 785 . 3 1 1 A 62 62 ASN H H 62 8.400 8.808 -0.408 1
1 786 . 3 1 1 A 62 62 ASN HA H 62 4.910 4.891 0.019 1
1 789 . 3 1 1 A 62 62 ASN C C 62 175.500 176.260 -0.760 1
1 790 . 3 1 1 A 62 62 ASN CA C 62 52.400 53.280 -0.880 1
1 791 . 3 1 1 A 62 62 ASN CB C 62 39.400 39.793 -0.393 1
1 792 . 3 1 1 A 62 62 ASN N N 62 121.800 124.565 -2.765 1
1 793 . 3 1 1 A 63 63 ALA H H 63 8.960 8.489 0.471 1
1 794 . 3 1 1 A 63 63 ALA HA H 63 4.170 4.419 -0.249 1
1 798 . 3 1 1 A 63 63 ALA C C 63 178.200 176.789 1.411 1
1 799 . 3 1 1 A 63 63 ALA CA C 63 53.300 51.965 1.335 1
1 800 . 3 1 1 A 63 63 ALA CB C 63 19.300 18.281 1.019 1
1 801 . 3 1 1 A 63 63 ALA N N 63 126.200 124.130 2.070 1
1 802 . 3 1 1 A 64 64 GLN H H 64 8.570 8.308 0.262 1
1 803 . 3 1 1 A 64 64 GLN HA H 64 4.280 3.962 0.318 1
1 810 . 3 1 1 A 64 64 GLN C C 64 176.200 174.457 1.743 1
1 811 . 3 1 1 A 64 64 GLN CA C 64 56.300 57.169 -0.869 1
1 812 . 3 1 1 A 64 64 GLN CB C 64 29.400 26.626 2.774 1
1 814 . 3 1 1 A 64 64 GLN N N 64 119.900 112.009 7.891 1
1 816 . 3 1 1 A 65 65 LEU H H 65 8.080 7.623 0.457 1
1 817 . 3 1 1 A 65 65 LEU HA H 65 4.320 4.489 -0.169 1
1 827 . 3 1 1 A 65 65 LEU C C 65 177.200 176.506 0.694 1
1 828 . 3 1 1 A 65 65 LEU CA C 65 55.300 53.969 1.331 1
1 829 . 3 1 1 A 65 65 LEU CB C 65 42.700 41.727 0.973 1
1 833 . 3 1 1 A 65 65 LEU N N 65 121.700 116.591 5.109 1
1 834 . 3 1 1 A 66 66 GLU H H 66 8.290 8.277 0.013 1
1 835 . 3 1 1 A 66 66 GLU HA H 66 4.190 4.119 0.071 1
1 840 . 3 1 1 A 66 66 GLU C C 66 176.300 176.476 -0.176 1
1 841 . 3 1 1 A 66 66 GLU CA C 66 56.800 59.107 -2.307 1
1 842 . 3 1 1 A 66 66 GLU CB C 66 30.400 29.907 0.493 1
1 844 . 3 1 1 A 66 66 GLU N N 66 120.400 124.135 -3.735 1
1 845 . 3 1 1 A 67 67 HIS H H 67 8.280 8.087 0.193 1
1 846 . 3 1 1 A 67 67 HIS HA H 67 4.620 3.983 0.637 1
1 850 . 3 1 1 A 67 67 HIS C C 67 173.900 173.475 0.425 1
1 851 . 3 1 1 A 67 67 HIS CA C 67 55.900 56.814 -0.914 1
1 852 . 3 1 1 A 67 67 HIS CB C 67 30.100 28.187 1.913 1
1 854 . 3 1 1 A 67 67 HIS N N 67 119.300 118.100 1.200 1
1 855 . 3 1 1 A 68 68 HIS H H 68 8.180 7.595 0.585 1
1 856 . 3 1 1 A 68 68 HIS HA H 68 4.440 4.490 -0.050 1
1 859 . 3 1 1 A 68 68 HIS CA C 68 57.300 53.974 3.326 1
1 860 . 3 1 1 A 68 68 HIS CB C 68 30.200 30.893 -0.693 1
1 861 . 3 1 1 A 68 68 HIS N N 68 125.300 118.178 7.122 1
1 2 . 4 1 1 A 2 2 VAL H H 2 8.100 8.874 -0.774 1
1 3 . 4 1 1 A 2 2 VAL HA H 2 4.090 4.910 -0.820 1
1 5 . 4 1 1 A 2 2 VAL C C 2 176.500 174.372 2.128 1
1 6 . 4 1 1 A 2 2 VAL CA C 2 62.300 58.753 3.547 1
1 7 . 4 1 1 A 2 2 VAL CB C 2 32.700 35.387 -2.687 1
1 8 . 4 1 1 A 2 2 VAL N N 2 124.800 119.012 5.788 1
1 9 . 4 1 1 A 3 3 GLU H H 3 8.500 8.522 -0.022 1
1 10 . 4 1 1 A 3 3 GLU HA H 3 4.280 4.574 -0.294 1
1 15 . 4 1 1 A 3 3 GLU C C 3 175.900 175.938 -0.038 1
1 16 . 4 1 1 A 3 3 GLU CA C 3 56.500 56.017 0.483 1
1 17 . 4 1 1 A 3 3 GLU CB C 3 30.400 30.108 0.292 1
1 19 . 4 1 1 A 3 3 GLU N N 3 124.200 120.929 3.271 1
1 20 . 4 1 1 A 4 4 ASN H H 4 8.500 8.506 -0.006 1
1 21 . 4 1 1 A 4 4 ASN HA H 4 4.970 5.587 -0.617 1
1 26 . 4 1 1 A 4 4 ASN CA C 4 51.200 50.317 0.883 1
1 27 . 4 1 1 A 4 4 ASN CB C 4 39.000 40.481 -1.481 1
1 28 . 4 1 1 A 4 4 ASN N N 4 120.700 123.431 -2.731 1
1 30 . 4 1 1 A 5 5 PRO HA H 5 4.390 4.579 -0.189 1
1 37 . 4 1 1 A 5 5 PRO C C 5 176.800 176.125 0.675 1
1 38 . 4 1 1 A 5 5 PRO CA C 5 63.500 63.881 -0.381 1
1 39 . 4 1 1 A 5 5 PRO CB C 5 32.200 32.947 -0.747 1
1 42 . 4 1 1 A 6 6 MET H H 6 8.300 8.369 -0.069 1
1 43 . 4 1 1 A 6 6 MET HA H 6 4.400 4.693 -0.293 1
1 51 . 4 1 1 A 6 6 MET C C 6 176.200 175.963 0.237 1
1 52 . 4 1 1 A 6 6 MET CA C 6 55.800 54.263 1.537 1
1 53 . 4 1 1 A 6 6 MET CB C 6 32.600 30.671 1.929 1
1 56 . 4 1 1 A 6 6 MET N N 6 119.400 120.819 -1.419 1
1 57 . 4 1 1 A 7 7 VAL H H 7 7.980 8.190 -0.210 1
1 58 . 4 1 1 A 7 7 VAL HA H 7 4.080 4.203 -0.123 1
1 66 . 4 1 1 A 7 7 VAL C C 7 175.800 175.836 -0.036 1
1 67 . 4 1 1 A 7 7 VAL CA C 7 62.400 63.115 -0.715 1
1 68 . 4 1 1 A 7 7 VAL CB C 7 32.800 32.003 0.797 1
1 71 . 4 1 1 A 7 7 VAL N N 7 121.500 124.617 -3.117 1
1 72 . 4 1 1 A 8 8 ILE H H 8 8.140 7.401 0.739 1
1 73 . 4 1 1 A 8 8 ILE HA H 8 4.120 4.175 -0.055 1
1 83 . 4 1 1 A 8 8 ILE C C 8 175.800 176.041 -0.241 1
1 84 . 4 1 1 A 8 8 ILE CA C 8 60.900 60.500 0.400 1
1 85 . 4 1 1 A 8 8 ILE CB C 8 38.600 37.908 0.692 1
1 89 . 4 1 1 A 8 8 ILE N N 8 124.500 124.727 -0.227 1
1 90 . 4 1 1 A 9 9 ASN H H 9 8.450 8.766 -0.316 1
1 91 . 4 1 1 A 9 9 ASN HA H 9 4.630 4.295 0.335 1
1 96 . 4 1 1 A 9 9 ASN C C 9 174.700 174.762 -0.062 1
1 97 . 4 1 1 A 9 9 ASN CA C 9 53.200 54.051 -0.851 1
1 98 . 4 1 1 A 9 9 ASN CB C 9 39.000 37.019 1.981 1
1 99 . 4 1 1 A 9 9 ASN N N 9 122.700 122.406 0.294 1
1 101 . 4 1 1 A 10 10 ASN H H 10 8.320 8.219 0.101 1
1 102 . 4 1 1 A 10 10 ASN HA H 10 4.680 4.881 -0.201 1
1 107 . 4 1 1 A 10 10 ASN C C 10 175.000 175.837 -0.837 1
1 108 . 4 1 1 A 10 10 ASN CA C 10 53.100 52.625 0.475 1
1 109 . 4 1 1 A 10 10 ASN CB C 10 38.700 39.243 -0.543 1
1 110 . 4 1 1 A 10 10 ASN N N 10 119.600 117.032 2.568 1
1 112 . 4 1 1 A 11 11 TRP H H 11 8.060 8.140 -0.080 1
1 113 . 4 1 1 A 11 11 TRP HA H 11 4.550 4.356 0.194 1
1 122 . 4 1 1 A 11 11 TRP C C 11 176.200 175.714 0.486 1
1 123 . 4 1 1 A 11 11 TRP CA C 11 57.800 58.792 -0.992 1
1 124 . 4 1 1 A 11 11 TRP CB C 11 29.300 28.171 1.129 1
1 130 . 4 1 1 A 11 11 TRP N N 11 121.200 119.221 1.979 1
1 132 . 4 1 1 A 12 12 HIS H H 12 7.980 8.438 -0.458 1
1 133 . 4 1 1 A 12 12 HIS HA H 12 4.410 4.876 -0.466 1
1 137 . 4 1 1 A 12 12 HIS C C 12 174.400 175.159 -0.759 1
1 138 . 4 1 1 A 12 12 HIS CA C 12 56.200 55.989 0.211 1
1 139 . 4 1 1 A 12 12 HIS CB C 12 29.600 31.368 -1.768 1
1 141 . 4 1 1 A 12 12 HIS N N 12 119.900 117.073 2.827 1
1 142 . 4 1 1 A 13 13 ASP H H 13 8.130 8.360 -0.230 1
1 143 . 4 1 1 A 13 13 ASP HA H 13 4.470 4.703 -0.233 1
1 146 . 4 1 1 A 13 13 ASP C C 13 176.100 176.858 -0.758 1
1 147 . 4 1 1 A 13 13 ASP CA C 13 54.700 53.307 1.393 1
1 148 . 4 1 1 A 13 13 ASP CB C 13 41.100 40.960 0.140 1
1 149 . 4 1 1 A 13 13 ASP N N 13 120.600 117.668 2.932 1
1 150 . 4 1 1 A 14 14 LYS H H 14 8.150 7.702 0.448 1
1 151 . 4 1 1 A 14 14 LYS HA H 14 4.270 4.575 -0.305 1
1 160 . 4 1 1 A 14 14 LYS C C 14 176.600 174.943 1.657 1
1 161 . 4 1 1 A 14 14 LYS CA C 14 56.500 55.154 1.346 1
1 162 . 4 1 1 A 14 14 LYS CB C 14 32.900 32.687 0.213 1
1 166 . 4 1 1 A 14 14 LYS N N 14 120.900 118.053 2.847 1
1 167 . 4 1 1 A 15 15 LEU H H 15 8.220 7.333 0.887 1
1 168 . 4 1 1 A 15 15 LEU HA H 15 4.360 4.733 -0.373 1
1 178 . 4 1 1 A 15 15 LEU C C 15 177.600 174.635 2.965 1
1 179 . 4 1 1 A 15 15 LEU CA C 15 55.600 54.083 1.517 1
1 180 . 4 1 1 A 15 15 LEU CB C 15 42.200 45.716 -3.516 1
1 184 . 4 1 1 A 15 15 LEU N N 15 122.500 121.517 0.983 1
1 185 . 4 1 1 A 16 16 THR H H 16 8.090 8.889 -0.799 1
1 186 . 4 1 1 A 16 16 THR HA H 16 4.340 4.887 -0.547 1
1 191 . 4 1 1 A 16 16 THR C C 16 174.700 172.471 2.229 1
1 192 . 4 1 1 A 16 16 THR CA C 16 61.700 59.435 2.265 1
1 193 . 4 1 1 A 16 16 THR CB C 16 70.000 70.703 -0.703 1
1 195 . 4 1 1 A 16 16 THR N N 16 113.800 118.938 -5.138 1
1 196 . 4 1 1 A 17 17 GLU H H 17 8.400 8.587 -0.187 1
1 197 . 4 1 1 A 17 17 GLU HA H 17 4.330 4.810 -0.480 1
1 202 . 4 1 1 A 17 17 GLU C C 17 176.500 175.069 1.431 1
1 203 . 4 1 1 A 17 17 GLU CA C 17 56.900 54.796 2.104 1
1 204 . 4 1 1 A 17 17 GLU CB C 17 30.200 32.720 -2.520 1
1 206 . 4 1 1 A 17 17 GLU N N 17 122.700 120.312 2.388 1
1 207 . 4 1 1 A 18 18 THR H H 18 8.040 8.547 -0.507 1
1 208 . 4 1 1 A 18 18 THR HA H 18 4.350 3.866 0.484 1
1 213 . 4 1 1 A 18 18 THR C C 18 174.000 174.690 -0.690 1
1 214 . 4 1 1 A 18 18 THR CA C 18 61.700 66.200 -4.500 1
1 215 . 4 1 1 A 18 18 THR CB C 18 69.800 66.635 3.165 1
1 217 . 4 1 1 A 18 18 THR N N 18 113.600 112.190 1.410 1
1 218 . 4 1 1 A 19 19 ASP H H 19 8.290 8.583 -0.293 1
1 219 . 4 1 1 A 19 19 ASP HA H 19 4.640 4.531 0.109 1
1 222 . 4 1 1 A 19 19 ASP C C 19 175.500 176.159 -0.659 1
1 223 . 4 1 1 A 19 19 ASP CA C 19 54.500 53.981 0.519 1
1 224 . 4 1 1 A 19 19 ASP CB C 19 41.200 39.537 1.663 1
1 225 . 4 1 1 A 19 19 ASP N N 19 122.900 118.977 3.923 1
1 226 . 4 1 1 A 20 20 VAL H H 20 7.900 7.361 0.539 1
1 227 . 4 1 1 A 20 20 VAL HA H 20 4.200 3.959 0.241 1
1 235 . 4 1 1 A 20 20 VAL C C 20 175.400 175.100 0.300 1
1 236 . 4 1 1 A 20 20 VAL CA C 20 61.900 62.480 -0.580 1
1 237 . 4 1 1 A 20 20 VAL CB C 20 33.500 31.083 2.417 1
1 240 . 4 1 1 A 20 20 VAL N N 20 119.900 121.872 -1.972 1
1 241 . 4 1 1 A 21 21 GLN H H 21 8.490 8.566 -0.076 1
1 242 . 4 1 1 A 21 21 GLN HA H 21 4.510 4.822 -0.312 1
1 249 . 4 1 1 A 21 21 GLN C C 21 173.800 174.469 -0.669 1
1 250 . 4 1 1 A 21 21 GLN CA C 21 54.700 54.315 0.385 1
1 251 . 4 1 1 A 21 21 GLN CB C 21 31.600 31.121 0.479 1
1 253 . 4 1 1 A 21 21 GLN N N 21 124.800 126.186 -1.386 1
1 255 . 4 1 1 A 22 22 ILE H H 22 8.070 8.621 -0.551 1
1 256 . 4 1 1 A 22 22 ILE HA H 22 4.820 4.859 -0.039 1
1 266 . 4 1 1 A 22 22 ILE C C 22 175.500 175.578 -0.078 1
1 267 . 4 1 1 A 22 22 ILE CA C 22 58.700 59.303 -0.603 1
1 268 . 4 1 1 A 22 22 ILE CB C 22 39.800 41.162 -1.362 1
1 272 . 4 1 1 A 22 22 ILE N N 22 120.500 122.921 -2.421 1
1 273 . 4 1 1 A 23 23 ASP H H 23 9.340 8.555 0.785 1
1 274 . 4 1 1 A 23 23 ASP HA H 23 4.570 4.938 -0.368 1
1 277 . 4 1 1 A 23 23 ASP C C 23 178.600 176.425 2.175 1
1 278 . 4 1 1 A 23 23 ASP CA C 23 51.700 52.650 -0.950 1
1 279 . 4 1 1 A 23 23 ASP CB C 23 42.900 41.432 1.468 1
1 280 . 4 1 1 A 23 23 ASP N N 23 128.000 124.748 3.252 1
1 281 . 4 1 1 A 24 24 PHE H H 24 8.860 8.711 0.149 1
1 282 . 4 1 1 A 24 24 PHE HA H 24 3.960 4.189 -0.229 1
1 290 . 4 1 1 A 24 24 PHE C C 24 175.800 177.051 -1.251 1
1 291 . 4 1 1 A 24 24 PHE CA C 24 61.600 60.605 0.995 1
1 292 . 4 1 1 A 24 24 PHE CB C 24 41.800 39.334 2.466 1
1 298 . 4 1 1 A 24 24 PHE N N 24 118.500 119.337 -0.837 1
1 299 . 4 1 1 A 25 25 TYR H H 25 8.340 8.489 -0.149 1
1 300 . 4 1 1 A 25 25 TYR HA H 25 4.400 4.280 0.120 1
1 307 . 4 1 1 A 25 25 TYR C C 25 175.700 175.960 -0.260 1
1 308 . 4 1 1 A 25 25 TYR CA C 25 59.200 61.455 -2.255 1
1 309 . 4 1 1 A 25 25 TYR CB C 25 38.700 38.924 -0.224 1
1 314 . 4 1 1 A 25 25 TYR N N 25 114.500 120.452 -5.952 1
1 315 . 4 1 1 A 26 26 GLY H H 26 8.460 7.912 0.548 1
1 316 . 4 1 1 A 26 26 GLY HA2 H 26 4.230 3.897 0.333 1
1 317 . 4 1 1 A 26 26 GLY HA3 H 26 3.500 3.957 -0.457 1
1 318 . 4 1 1 A 26 26 GLY C C 26 174.700 174.236 0.464 1
1 319 . 4 1 1 A 26 26 GLY CA C 26 45.200 46.168 -0.968 1
1 320 . 4 1 1 A 26 26 GLY N N 26 109.700 107.191 2.509 1
1 321 . 4 1 1 A 27 27 ASP H H 27 8.400 7.951 0.449 1
1 322 . 4 1 1 A 27 27 ASP HA H 27 4.330 4.957 -0.627 1
1 325 . 4 1 1 A 27 27 ASP C C 27 175.700 175.592 0.108 1
1 326 . 4 1 1 A 27 27 ASP CA C 27 56.700 55.529 1.171 1
1 327 . 4 1 1 A 27 27 ASP CB C 27 30.300 42.184 -11.884 1
1 328 . 4 1 1 A 27 27 ASP N N 27 122.700 120.510 2.190 1
1 329 . 4 1 1 A 28 28 GLU H H 28 7.960 7.750 0.210 1
1 330 . 4 1 1 A 28 28 GLU HA H 28 4.280 4.596 -0.316 1
1 335 . 4 1 1 A 28 28 GLU C C 28 175.200 173.993 1.207 1
1 336 . 4 1 1 A 28 28 GLU CA C 28 57.400 56.291 1.109 1
1 337 . 4 1 1 A 28 28 GLU CB C 28 30.500 33.522 -3.022 1
1 339 . 4 1 1 A 28 28 GLU N N 28 126.100 117.420 8.680 1
1 340 . 4 1 1 A 29 29 VAL H H 29 8.550 8.491 0.059 1
1 341 . 4 1 1 A 29 29 VAL HA H 29 4.180 4.793 -0.613 1
1 349 . 4 1 1 A 29 29 VAL C C 29 176.000 175.667 0.333 1
1 350 . 4 1 1 A 29 29 VAL CA C 29 61.500 61.210 0.290 1
1 351 . 4 1 1 A 29 29 VAL CB C 29 32.300 33.372 -1.072 1
1 354 . 4 1 1 A 29 29 VAL N N 29 123.500 126.103 -2.603 1
1 355 . 4 1 1 A 30 30 THR H H 30 9.720 8.569 1.151 1
1 356 . 4 1 1 A 30 30 THR HA H 30 5.010 4.975 0.035 1
1 361 . 4 1 1 A 30 30 THR CA C 30 60.800 58.962 1.838 1
1 362 . 4 1 1 A 30 30 THR CB C 30 68.700 69.814 -1.114 1
1 364 . 4 1 1 A 30 30 THR N N 30 122.300 118.896 3.404 1
1 365 . 4 1 1 A 31 31 PRO HA H 31 4.510 4.560 -0.050 1
1 372 . 4 1 1 A 31 31 PRO C C 31 176.400 176.951 -0.551 1
1 373 . 4 1 1 A 31 31 PRO CA C 31 65.200 64.305 0.895 1
1 374 . 4 1 1 A 31 31 PRO CB C 31 32.600 31.773 0.827 1
1 377 . 4 1 1 A 32 32 VAL H H 32 6.830 8.058 -1.228 1
1 378 . 4 1 1 A 32 32 VAL HA H 32 4.450 4.230 0.220 1
1 386 . 4 1 1 A 32 32 VAL C C 32 175.700 174.701 0.999 1
1 387 . 4 1 1 A 32 32 VAL CA C 32 60.600 61.760 -1.160 1
1 388 . 4 1 1 A 32 32 VAL CB C 32 31.200 32.246 -1.046 1
1 391 . 4 1 1 A 32 32 VAL N N 32 105.600 114.403 -8.803 1
1 392 . 4 1 1 A 33 33 ASP H H 33 7.800 8.100 -0.300 1
1 393 . 4 1 1 A 33 33 ASP HA H 33 4.910 4.948 -0.038 1
1 396 . 4 1 1 A 33 33 ASP C C 33 174.900 173.723 1.177 1
1 397 . 4 1 1 A 33 33 ASP CA C 33 55.100 51.946 3.154 1
1 398 . 4 1 1 A 33 33 ASP CB C 33 43.900 43.108 0.792 1
1 399 . 4 1 1 A 33 33 ASP N N 33 122.100 123.101 -1.001 1
1 400 . 4 1 1 A 34 34 ASP H H 34 8.810 8.787 0.023 1
1 401 . 4 1 1 A 34 34 ASP HA H 34 5.060 5.452 -0.392 1
1 404 . 4 1 1 A 34 34 ASP C C 34 176.500 174.348 2.152 1
1 405 . 4 1 1 A 34 34 ASP CA C 34 53.700 52.980 0.720 1
1 406 . 4 1 1 A 34 34 ASP CB C 34 41.600 44.745 -3.145 1
1 407 . 4 1 1 A 34 34 ASP N N 34 121.800 120.413 1.387 1
1 408 . 4 1 1 A 35 35 TYR H H 35 8.570 8.721 -0.151 1
1 409 . 4 1 1 A 35 35 TYR HA H 35 5.220 5.311 -0.091 1
1 416 . 4 1 1 A 35 35 TYR C C 35 171.800 172.921 -1.121 1
1 417 . 4 1 1 A 35 35 TYR CA C 35 56.300 56.303 -0.003 1
1 418 . 4 1 1 A 35 35 TYR CB C 35 40.700 40.952 -0.252 1
1 423 . 4 1 1 A 35 35 TYR N N 35 117.900 120.370 -2.470 1
1 424 . 4 1 1 A 36 36 VAL H H 36 9.340 8.702 0.638 1
1 425 . 4 1 1 A 36 36 VAL HA H 36 4.660 4.681 -0.021 1
1 433 . 4 1 1 A 36 36 VAL C C 36 173.300 174.884 -1.584 1
1 434 . 4 1 1 A 36 36 VAL CA C 36 59.300 60.345 -1.045 1
1 435 . 4 1 1 A 36 36 VAL CB C 36 35.100 35.852 -0.752 1
1 438 . 4 1 1 A 36 36 VAL N N 36 120.700 119.794 0.906 1
1 439 . 4 1 1 A 37 37 ILE H H 37 8.820 8.914 -0.094 1
1 440 . 4 1 1 A 37 37 ILE HA H 37 4.820 4.846 -0.026 1
1 450 . 4 1 1 A 37 37 ILE C C 37 175.500 173.951 1.549 1
1 451 . 4 1 1 A 37 37 ILE CA C 37 59.700 59.938 -0.238 1
1 452 . 4 1 1 A 37 37 ILE CB C 37 40.600 39.026 1.574 1
1 456 . 4 1 1 A 37 37 ILE N N 37 124.100 126.907 -2.807 1
1 457 . 4 1 1 A 38 38 ASP H H 38 8.280 9.037 -0.757 1
1 458 . 4 1 1 A 38 38 ASP HA H 38 4.430 5.166 -0.736 1
1 461 . 4 1 1 A 38 38 ASP C C 38 177.000 176.588 0.412 1
1 462 . 4 1 1 A 38 38 ASP CA C 38 51.400 53.037 -1.637 1
1 463 . 4 1 1 A 38 38 ASP CB C 38 41.200 41.973 -0.773 1
1 464 . 4 1 1 A 38 38 ASP N N 38 126.600 127.380 -0.780 1
1 465 . 4 1 1 A 39 39 GLY H H 39 8.910 8.728 0.182 1
1 466 . 4 1 1 A 39 39 GLY HA2 H 39 3.640 4.007 -0.367 1
1 467 . 4 1 1 A 39 39 GLY HA3 H 39 3.850 4.073 -0.223 1
1 468 . 4 1 1 A 39 39 GLY C C 39 174.500 174.417 0.083 1
1 469 . 4 1 1 A 39 39 GLY CA C 39 47.600 45.459 2.141 1
1 470 . 4 1 1 A 39 39 GLY N N 39 114.900 114.154 0.746 1
1 471 . 4 1 1 A 40 40 GLY H H 40 8.220 8.544 -0.324 1
1 472 . 4 1 1 A 40 40 GLY HA2 H 40 3.900 4.084 -0.184 1
1 473 . 4 1 1 A 40 40 GLY HA3 H 40 3.900 4.090 -0.190 1
1 474 . 4 1 1 A 40 40 GLY C C 40 173.900 174.820 -0.920 1
1 475 . 4 1 1 A 40 40 GLY CA C 40 45.000 45.407 -0.407 1
1 476 . 4 1 1 A 40 40 GLY N N 40 112.200 107.716 4.484 1
1 477 . 4 1 1 A 41 41 GLU H H 41 7.770 7.567 0.203 1
1 478 . 4 1 1 A 41 41 GLU HA H 41 4.750 4.435 0.315 1
1 483 . 4 1 1 A 41 41 GLU C C 41 174.800 176.109 -1.309 1
1 484 . 4 1 1 A 41 41 GLU CA C 41 54.300 56.397 -2.097 1
1 485 . 4 1 1 A 41 41 GLU CB C 41 30.300 30.463 -0.163 1
1 487 . 4 1 1 A 41 41 GLU N N 41 120.200 120.803 -0.603 1
1 488 . 4 1 1 A 42 42 ILE H H 42 8.720 8.486 0.234 1
1 489 . 4 1 1 A 42 42 ILE HA H 42 4.780 4.569 0.211 1
1 499 . 4 1 1 A 42 42 ILE C C 42 174.800 175.238 -0.438 1
1 500 . 4 1 1 A 42 42 ILE CA C 42 59.200 61.110 -1.910 1
1 501 . 4 1 1 A 42 42 ILE CB C 42 40.300 37.877 2.423 1
1 505 . 4 1 1 A 42 42 ILE N N 42 122.000 125.270 -3.270 1
1 506 . 4 1 1 A 43 43 ILE H H 43 9.230 8.951 0.279 1
1 507 . 4 1 1 A 43 43 ILE HA H 43 4.480 4.575 -0.095 1
1 517 . 4 1 1 A 43 43 ILE C C 43 176.400 175.216 1.184 1
1 518 . 4 1 1 A 43 43 ILE CA C 43 61.000 60.047 0.953 1
1 519 . 4 1 1 A 43 43 ILE CB C 43 42.300 42.091 0.209 1
1 523 . 4 1 1 A 43 43 ILE N N 43 126.400 126.668 -0.268 1
1 524 . 4 1 1 A 44 44 LEU H H 44 10.930 8.539 2.391 1
1 525 . 4 1 1 A 44 44 LEU HA H 44 4.280 4.279 0.001 1
1 535 . 4 1 1 A 44 44 LEU C C 44 179.300 178.260 1.040 1
1 536 . 4 1 1 A 44 44 LEU CA C 44 56.500 55.893 0.607 1
1 537 . 4 1 1 A 44 44 LEU CB C 44 42.600 43.588 -0.988 1
1 541 . 4 1 1 A 44 44 LEU N N 44 130.900 129.004 1.896 1
1 542 . 4 1 1 A 45 45 ARG H H 45 8.610 9.146 -0.536 1
1 543 . 4 1 1 A 45 45 ARG HA H 45 3.890 4.078 -0.188 1
1 551 . 4 1 1 A 45 45 ARG C C 45 179.300 178.422 0.878 1
1 552 . 4 1 1 A 45 45 ARG CA C 45 60.200 59.250 0.950 1
1 553 . 4 1 1 A 45 45 ARG CB C 45 29.400 29.795 -0.395 1
1 556 . 4 1 1 A 45 45 ARG N N 45 125.400 126.246 -0.846 1
1 558 . 4 1 1 A 46 46 GLU H H 46 9.020 8.035 0.985 1
1 559 . 4 1 1 A 46 46 GLU HA H 46 4.210 4.180 0.030 1
1 564 . 4 1 1 A 46 46 GLU C C 46 176.700 177.876 -1.176 1
1 565 . 4 1 1 A 46 46 GLU CA C 46 59.000 58.704 0.296 1
1 566 . 4 1 1 A 46 46 GLU CB C 46 29.600 29.879 -0.279 1
1 568 . 4 1 1 A 46 46 GLU N N 46 117.500 118.817 -1.317 1
1 569 . 4 1 1 A 47 47 ASN H H 47 7.870 7.700 0.170 1
1 570 . 4 1 1 A 47 47 ASN HA H 47 5.100 4.969 0.131 1
1 573 . 4 1 1 A 47 47 ASN C C 47 175.200 176.015 -0.815 1
1 574 . 4 1 1 A 47 47 ASN CA C 47 52.800 53.245 -0.445 1
1 575 . 4 1 1 A 47 47 ASN CB C 47 40.500 39.715 0.785 1
1 576 . 4 1 1 A 47 47 ASN N N 47 115.900 114.618 1.282 1
1 577 . 4 1 1 A 48 48 LEU H H 48 7.760 7.529 0.231 1
1 578 . 4 1 1 A 48 48 LEU HA H 48 4.060 4.078 -0.018 1
1 588 . 4 1 1 A 48 48 LEU C C 48 177.200 178.299 -1.099 1
1 589 . 4 1 1 A 48 48 LEU CA C 48 59.000 59.086 -0.086 1
1 590 . 4 1 1 A 48 48 LEU CB C 48 42.800 41.556 1.244 1
1 594 . 4 1 1 A 48 48 LEU N N 48 122.300 121.772 0.528 1
1 595 . 4 1 1 A 49 49 GLU H H 49 8.770 8.252 0.518 1
1 596 . 4 1 1 A 49 49 GLU HA H 49 3.670 4.165 -0.495 1
1 601 . 4 1 1 A 49 49 GLU C C 49 176.200 179.697 -3.497 1
1 602 . 4 1 1 A 49 49 GLU CA C 49 61.300 59.236 2.064 1
1 603 . 4 1 1 A 49 49 GLU CB C 49 28.200 29.185 -0.985 1
1 605 . 4 1 1 A 49 49 GLU N N 49 118.800 117.998 0.802 1
1 606 . 4 1 1 A 50 50 ARG H H 50 8.000 7.925 0.075 1
1 607 . 4 1 1 A 50 50 ARG HA H 50 3.860 4.092 -0.232 1
1 615 . 4 1 1 A 50 50 ARG C C 50 174.100 178.771 -4.671 1
1 616 . 4 1 1 A 50 50 ARG CA C 50 60.100 58.989 1.111 1
1 617 . 4 1 1 A 50 50 ARG CB C 50 29.900 30.350 -0.450 1
1 620 . 4 1 1 A 50 50 ARG N N 50 119.100 121.253 -2.153 1
1 622 . 4 1 1 A 51 51 TYR H H 51 8.250 8.265 -0.015 1
1 623 . 4 1 1 A 51 51 TYR HA H 51 4.610 4.065 0.545 1
1 630 . 4 1 1 A 51 51 TYR C C 51 178.500 176.953 1.547 1
1 631 . 4 1 1 A 51 51 TYR CA C 51 61.700 61.123 0.577 1
1 632 . 4 1 1 A 51 51 TYR CB C 51 40.000 38.760 1.240 1
1 637 . 4 1 1 A 51 51 TYR N N 51 120.400 121.563 -1.163 1
1 638 . 4 1 1 A 52 52 LEU H H 52 9.030 8.681 0.349 1
1 639 . 4 1 1 A 52 52 LEU HA H 52 3.690 3.831 -0.141 1
1 649 . 4 1 1 A 52 52 LEU C C 52 180.000 179.290 0.710 1
1 650 . 4 1 1 A 52 52 LEU CA C 52 57.600 57.706 -0.106 1
1 651 . 4 1 1 A 52 52 LEU CB C 52 40.800 41.143 -0.343 1
1 655 . 4 1 1 A 52 52 LEU N N 52 118.300 119.243 -0.943 1
1 656 . 4 1 1 A 53 53 ARG H H 53 8.530 7.913 0.617 1
1 657 . 4 1 1 A 53 53 ARG HA H 53 4.820 3.907 0.913 1
1 665 . 4 1 1 A 53 53 ARG C C 53 179.100 178.494 0.606 1
1 666 . 4 1 1 A 53 53 ARG CA C 53 59.300 59.146 0.154 1
1 667 . 4 1 1 A 53 53 ARG CB C 53 31.900 29.658 2.242 1
1 670 . 4 1 1 A 53 53 ARG N N 53 119.400 120.412 -1.012 1
1 672 . 4 1 1 A 54 54 GLU H H 54 9.090 7.682 1.408 1
1 673 . 4 1 1 A 54 54 GLU HA H 54 4.100 4.156 -0.056 1
1 678 . 4 1 1 A 54 54 GLU C C 54 178.700 178.118 0.582 1
1 679 . 4 1 1 A 54 54 GLU CA C 54 59.300 58.688 0.612 1
1 680 . 4 1 1 A 54 54 GLU CB C 54 31.000 30.056 0.944 1
1 682 . 4 1 1 A 54 54 GLU N N 54 116.700 118.644 -1.944 1
1 683 . 4 1 1 A 55 55 GLN H H 55 8.760 7.848 0.912 1
1 684 . 4 1 1 A 55 55 GLN HA H 55 4.290 4.075 0.215 1
1 691 . 4 1 1 A 55 55 GLN C C 55 177.700 175.589 2.111 1
1 692 . 4 1 1 A 55 55 GLN CA C 55 55.800 57.403 -1.603 1
1 693 . 4 1 1 A 55 55 GLN CB C 55 28.000 29.458 -1.458 1
1 695 . 4 1 1 A 55 55 GLN N N 55 113.900 119.505 -5.605 1
1 697 . 4 1 1 A 56 56 LEU H H 56 6.650 7.763 -1.113 1
1 698 . 4 1 1 A 56 56 LEU HA H 56 4.700 3.840 0.860 1
1 708 . 4 1 1 A 56 56 LEU C C 56 178.000 177.007 0.993 1
1 709 . 4 1 1 A 56 56 LEU CA C 56 55.300 55.586 -0.286 1
1 710 . 4 1 1 A 56 56 LEU CB C 56 43.800 40.783 3.017 1
1 714 . 4 1 1 A 56 56 LEU N N 56 116.200 119.897 -3.697 1
1 715 . 4 1 1 A 57 57 GLY H H 57 7.160 8.129 -0.969 1
1 716 . 4 1 1 A 57 57 GLY HA2 H 57 4.070 3.571 0.499 1
1 717 . 4 1 1 A 57 57 GLY HA3 H 57 4.070 3.763 0.307 1
1 718 . 4 1 1 A 57 57 GLY C C 57 175.000 174.465 0.535 1
1 719 . 4 1 1 A 57 57 GLY CA C 57 46.900 45.369 1.531 1
1 720 . 4 1 1 A 57 57 GLY N N 57 109.000 106.067 2.933 1
1 721 . 4 1 1 A 58 58 PHE H H 58 8.480 7.891 0.589 1
1 722 . 4 1 1 A 58 58 PHE HA H 58 4.690 4.601 0.089 1
1 730 . 4 1 1 A 58 58 PHE C C 58 175.700 174.745 0.955 1
1 731 . 4 1 1 A 58 58 PHE CA C 58 57.900 60.374 -2.474 1
1 732 . 4 1 1 A 58 58 PHE CB C 58 39.500 37.835 1.665 1
1 738 . 4 1 1 A 58 58 PHE N N 58 123.100 116.598 6.502 1
1 739 . 4 1 1 A 59 59 GLU H H 59 8.440 8.741 -0.301 1
1 740 . 4 1 1 A 59 59 GLU HA H 59 4.820 4.805 0.015 1
1 745 . 4 1 1 A 59 59 GLU C C 59 174.700 175.227 -0.527 1
1 746 . 4 1 1 A 59 59 GLU CA C 59 54.600 54.930 -0.330 1
1 747 . 4 1 1 A 59 59 GLU CB C 59 32.800 30.656 2.144 1
1 749 . 4 1 1 A 59 59 GLU N N 59 118.600 122.090 -3.490 1
1 750 . 4 1 1 A 60 60 PHE H H 60 9.110 9.278 -0.168 1
1 751 . 4 1 1 A 60 60 PHE HA H 60 4.470 5.261 -0.791 1
1 759 . 4 1 1 A 60 60 PHE C C 60 175.100 174.905 0.195 1
1 760 . 4 1 1 A 60 60 PHE CA C 60 58.100 56.558 1.542 1
1 761 . 4 1 1 A 60 60 PHE CB C 60 39.900 40.219 -0.319 1
1 767 . 4 1 1 A 60 60 PHE N N 60 124.300 127.023 -2.723 1
1 768 . 4 1 1 A 61 61 LYS H H 61 8.510 8.658 -0.148 1
1 769 . 4 1 1 A 61 61 LYS HA H 61 4.360 5.100 -0.740 1
1 778 . 4 1 1 A 61 61 LYS C C 61 174.700 175.292 -0.592 1
1 779 . 4 1 1 A 61 61 LYS CA C 61 53.800 54.750 -0.950 1
1 780 . 4 1 1 A 61 61 LYS CB C 61 31.300 34.931 -3.631 1
1 784 . 4 1 1 A 61 61 LYS N N 61 124.900 124.557 0.343 1
1 785 . 4 1 1 A 62 62 ASN H H 62 8.400 8.677 -0.277 1
1 786 . 4 1 1 A 62 62 ASN HA H 62 4.910 5.091 -0.181 1
1 789 . 4 1 1 A 62 62 ASN C C 62 175.500 173.167 2.333 1
1 790 . 4 1 1 A 62 62 ASN CA C 62 52.400 53.325 -0.925 1
1 791 . 4 1 1 A 62 62 ASN CB C 62 39.400 43.044 -3.644 1
1 792 . 4 1 1 A 62 62 ASN N N 62 121.800 118.597 3.203 1
1 793 . 4 1 1 A 63 63 ALA H H 63 8.960 8.785 0.175 1
1 794 . 4 1 1 A 63 63 ALA HA H 63 4.170 4.303 -0.133 1
1 798 . 4 1 1 A 63 63 ALA C C 63 178.200 177.519 0.681 1
1 799 . 4 1 1 A 63 63 ALA CA C 63 53.300 51.724 1.576 1
1 800 . 4 1 1 A 63 63 ALA CB C 63 19.300 17.291 2.009 1
1 801 . 4 1 1 A 63 63 ALA N N 63 126.200 126.770 -0.570 1
1 802 . 4 1 1 A 64 64 GLN H H 64 8.570 8.936 -0.366 1
1 803 . 4 1 1 A 64 64 GLN HA H 64 4.280 4.471 -0.191 1
1 810 . 4 1 1 A 64 64 GLN C C 64 176.200 175.046 1.154 1
1 811 . 4 1 1 A 64 64 GLN CA C 64 56.300 54.827 1.473 1
1 812 . 4 1 1 A 64 64 GLN CB C 64 29.400 27.372 2.028 1
1 814 . 4 1 1 A 64 64 GLN N N 64 119.900 122.016 -2.116 1
1 816 . 4 1 1 A 65 65 LEU H H 65 8.080 7.672 0.408 1
1 817 . 4 1 1 A 65 65 LEU HA H 65 4.320 4.563 -0.243 1
1 827 . 4 1 1 A 65 65 LEU C C 65 177.200 175.479 1.721 1
1 828 . 4 1 1 A 65 65 LEU CA C 65 55.300 54.281 1.019 1
1 829 . 4 1 1 A 65 65 LEU CB C 65 42.700 41.937 0.763 1
1 833 . 4 1 1 A 65 65 LEU N N 65 121.700 125.016 -3.316 1
1 834 . 4 1 1 A 66 66 GLU H H 66 8.290 8.206 0.084 1
1 835 . 4 1 1 A 66 66 GLU HA H 66 4.190 4.748 -0.558 1
1 840 . 4 1 1 A 66 66 GLU C C 66 176.300 175.270 1.030 1
1 841 . 4 1 1 A 66 66 GLU CA C 66 56.800 55.672 1.128 1
1 842 . 4 1 1 A 66 66 GLU CB C 66 30.400 30.173 0.227 1
1 844 . 4 1 1 A 66 66 GLU N N 66 120.400 125.714 -5.314 1
1 845 . 4 1 1 A 67 67 HIS H H 67 8.280 9.011 -0.731 1
1 846 . 4 1 1 A 67 67 HIS HA H 67 4.620 4.951 -0.331 1
1 850 . 4 1 1 A 67 67 HIS C C 67 173.900 174.171 -0.271 1
1 851 . 4 1 1 A 67 67 HIS CA C 67 55.900 55.719 0.181 1
1 852 . 4 1 1 A 67 67 HIS CB C 67 30.100 31.016 -0.916 1
1 854 . 4 1 1 A 67 67 HIS N N 67 119.300 125.972 -6.672 1
1 855 . 4 1 1 A 68 68 HIS H H 68 8.180 8.888 -0.708 1
1 856 . 4 1 1 A 68 68 HIS HA H 68 4.440 4.741 -0.301 1
1 859 . 4 1 1 A 68 68 HIS CA C 68 57.300 55.117 2.183 1
1 860 . 4 1 1 A 68 68 HIS CB C 68 30.200 28.488 1.712 1
1 861 . 4 1 1 A 68 68 HIS N N 68 125.300 125.487 -0.187 1
1 2 . 5 1 1 A 2 2 VAL H H 2 8.100 7.589 0.511 1
1 3 . 5 1 1 A 2 2 VAL HA H 2 4.090 4.528 -0.438 1
1 5 . 5 1 1 A 2 2 VAL C C 2 176.500 175.481 1.019 1
1 6 . 5 1 1 A 2 2 VAL CA C 2 62.300 60.010 2.290 1
1 7 . 5 1 1 A 2 2 VAL CB C 2 32.700 34.744 -2.044 1
1 8 . 5 1 1 A 2 2 VAL N N 2 124.800 114.162 10.638 1
1 9 . 5 1 1 A 3 3 GLU H H 3 8.500 8.883 -0.383 1
1 10 . 5 1 1 A 3 3 GLU HA H 3 4.280 4.376 -0.096 1
1 15 . 5 1 1 A 3 3 GLU C C 3 175.900 175.260 0.640 1
1 16 . 5 1 1 A 3 3 GLU CA C 3 56.500 56.945 -0.445 1
1 17 . 5 1 1 A 3 3 GLU CB C 3 30.400 28.905 1.495 1
1 19 . 5 1 1 A 3 3 GLU N N 3 124.200 121.818 2.382 1
1 20 . 5 1 1 A 4 4 ASN H H 4 8.500 8.813 -0.313 1
1 21 . 5 1 1 A 4 4 ASN HA H 4 4.970 4.934 0.036 1
1 26 . 5 1 1 A 4 4 ASN CA C 4 51.200 51.546 -0.346 1
1 27 . 5 1 1 A 4 4 ASN CB C 4 39.000 37.812 1.188 1
1 28 . 5 1 1 A 4 4 ASN N N 4 120.700 122.558 -1.858 1
1 30 . 5 1 1 A 5 5 PRO HA H 5 4.390 4.650 -0.260 1
1 37 . 5 1 1 A 5 5 PRO C C 5 176.800 176.048 0.752 1
1 38 . 5 1 1 A 5 5 PRO CA C 5 63.500 62.605 0.895 1
1 39 . 5 1 1 A 5 5 PRO CB C 5 32.200 29.245 2.955 1
1 42 . 5 1 1 A 6 6 MET H H 6 8.300 7.857 0.443 1
1 43 . 5 1 1 A 6 6 MET HA H 6 4.400 4.555 -0.155 1
1 51 . 5 1 1 A 6 6 MET C C 6 176.200 177.290 -1.090 1
1 52 . 5 1 1 A 6 6 MET CA C 6 55.800 56.442 -0.642 1
1 53 . 5 1 1 A 6 6 MET CB C 6 32.600 32.513 0.087 1
1 56 . 5 1 1 A 6 6 MET N N 6 119.400 122.581 -3.181 1
1 57 . 5 1 1 A 7 7 VAL H H 7 7.980 8.363 -0.383 1
1 58 . 5 1 1 A 7 7 VAL HA H 7 4.080 4.506 -0.426 1
1 66 . 5 1 1 A 7 7 VAL C C 7 175.800 176.884 -1.084 1
1 67 . 5 1 1 A 7 7 VAL CA C 7 62.400 61.050 1.350 1
1 68 . 5 1 1 A 7 7 VAL CB C 7 32.800 31.927 0.873 1
1 71 . 5 1 1 A 7 7 VAL N N 7 121.500 118.353 3.147 1
1 72 . 5 1 1 A 8 8 ILE H H 8 8.140 7.627 0.513 1
1 73 . 5 1 1 A 8 8 ILE HA H 8 4.120 3.954 0.166 1
1 83 . 5 1 1 A 8 8 ILE C C 8 175.800 176.510 -0.710 1
1 84 . 5 1 1 A 8 8 ILE CA C 8 60.900 62.950 -2.050 1
1 85 . 5 1 1 A 8 8 ILE CB C 8 38.600 37.826 0.774 1
1 89 . 5 1 1 A 8 8 ILE N N 8 124.500 122.287 2.213 1
1 90 . 5 1 1 A 9 9 ASN H H 9 8.450 7.764 0.686 1
1 91 . 5 1 1 A 9 9 ASN HA H 9 4.630 4.252 0.378 1
1 96 . 5 1 1 A 9 9 ASN C C 9 174.700 176.134 -1.434 1
1 97 . 5 1 1 A 9 9 ASN CA C 9 53.200 54.654 -1.454 1
1 98 . 5 1 1 A 9 9 ASN CB C 9 39.000 38.058 0.942 1
1 99 . 5 1 1 A 9 9 ASN N N 9 122.700 120.684 2.016 1
1 101 . 5 1 1 A 10 10 ASN H H 10 8.320 9.009 -0.689 1
1 102 . 5 1 1 A 10 10 ASN HA H 10 4.680 4.251 0.429 1
1 107 . 5 1 1 A 10 10 ASN C C 10 175.000 174.323 0.677 1
1 108 . 5 1 1 A 10 10 ASN CA C 10 53.100 54.120 -1.020 1
1 109 . 5 1 1 A 10 10 ASN CB C 10 38.700 37.557 1.143 1
1 110 . 5 1 1 A 10 10 ASN N N 10 119.600 123.709 -4.109 1
1 112 . 5 1 1 A 11 11 TRP H H 11 8.060 8.074 -0.014 1
1 113 . 5 1 1 A 11 11 TRP HA H 11 4.550 4.133 0.417 1
1 122 . 5 1 1 A 11 11 TRP C C 11 176.200 175.449 0.751 1
1 123 . 5 1 1 A 11 11 TRP CA C 11 57.800 60.949 -3.149 1
1 124 . 5 1 1 A 11 11 TRP CB C 11 29.300 27.501 1.799 1
1 130 . 5 1 1 A 11 11 TRP N N 11 121.200 113.162 8.038 1
1 132 . 5 1 1 A 12 12 HIS H H 12 7.980 8.533 -0.553 1
1 133 . 5 1 1 A 12 12 HIS HA H 12 4.410 4.932 -0.522 1
1 137 . 5 1 1 A 12 12 HIS C C 12 174.400 175.114 -0.714 1
1 138 . 5 1 1 A 12 12 HIS CA C 12 56.200 57.255 -1.055 1
1 139 . 5 1 1 A 12 12 HIS CB C 12 29.600 31.860 -2.260 1
1 141 . 5 1 1 A 12 12 HIS N N 12 119.900 113.339 6.561 1
1 142 . 5 1 1 A 13 13 ASP H H 13 8.130 8.384 -0.254 1
1 143 . 5 1 1 A 13 13 ASP HA H 13 4.470 4.995 -0.525 1
1 146 . 5 1 1 A 13 13 ASP C C 13 176.100 175.566 0.534 1
1 147 . 5 1 1 A 13 13 ASP CA C 13 54.700 53.555 1.145 1
1 148 . 5 1 1 A 13 13 ASP CB C 13 41.100 42.344 -1.244 1
1 149 . 5 1 1 A 13 13 ASP N N 13 120.600 114.620 5.980 1
1 150 . 5 1 1 A 14 14 LYS H H 14 8.150 8.520 -0.370 1
1 151 . 5 1 1 A 14 14 LYS HA H 14 4.270 4.237 0.033 1
1 160 . 5 1 1 A 14 14 LYS C C 14 176.600 175.469 1.131 1
1 161 . 5 1 1 A 14 14 LYS CA C 14 56.500 59.102 -2.602 1
1 162 . 5 1 1 A 14 14 LYS CB C 14 32.900 30.668 2.232 1
1 166 . 5 1 1 A 14 14 LYS N N 14 120.900 118.701 2.199 1
1 167 . 5 1 1 A 15 15 LEU H H 15 8.220 8.440 -0.220 1
1 168 . 5 1 1 A 15 15 LEU HA H 15 4.360 4.844 -0.484 1
1 178 . 5 1 1 A 15 15 LEU C C 15 177.600 175.739 1.861 1
1 179 . 5 1 1 A 15 15 LEU CA C 15 55.600 53.090 2.510 1
1 180 . 5 1 1 A 15 15 LEU CB C 15 42.200 45.402 -3.202 1
1 184 . 5 1 1 A 15 15 LEU N N 15 122.500 119.314 3.186 1
1 185 . 5 1 1 A 16 16 THR H H 16 8.090 8.693 -0.603 1
1 186 . 5 1 1 A 16 16 THR HA H 16 4.340 4.934 -0.594 1
1 191 . 5 1 1 A 16 16 THR C C 16 174.700 173.414 1.286 1
1 192 . 5 1 1 A 16 16 THR CA C 16 61.700 60.807 0.893 1
1 193 . 5 1 1 A 16 16 THR CB C 16 70.000 69.905 0.095 1
1 195 . 5 1 1 A 16 16 THR N N 16 113.800 113.095 0.705 1
1 196 . 5 1 1 A 17 17 GLU H H 17 8.400 8.768 -0.368 1
1 197 . 5 1 1 A 17 17 GLU HA H 17 4.330 4.562 -0.232 1
1 202 . 5 1 1 A 17 17 GLU C C 17 176.500 175.472 1.028 1
1 203 . 5 1 1 A 17 17 GLU CA C 17 56.900 55.578 1.322 1
1 204 . 5 1 1 A 17 17 GLU CB C 17 30.200 33.167 -2.967 1
1 206 . 5 1 1 A 17 17 GLU N N 17 122.700 126.155 -3.455 1
1 207 . 5 1 1 A 18 18 THR H H 18 8.040 8.579 -0.539 1
1 208 . 5 1 1 A 18 18 THR HA H 18 4.350 3.934 0.416 1
1 213 . 5 1 1 A 18 18 THR C C 18 174.000 173.352 0.648 1
1 214 . 5 1 1 A 18 18 THR CA C 18 61.700 66.177 -4.477 1
1 215 . 5 1 1 A 18 18 THR CB C 18 69.800 66.672 3.128 1
1 217 . 5 1 1 A 18 18 THR N N 18 113.600 113.616 -0.016 1
1 218 . 5 1 1 A 19 19 ASP H H 19 8.290 8.182 0.108 1
1 219 . 5 1 1 A 19 19 ASP HA H 19 4.640 4.658 -0.018 1
1 222 . 5 1 1 A 19 19 ASP C C 19 175.500 174.581 0.919 1
1 223 . 5 1 1 A 19 19 ASP CA C 19 54.500 53.468 1.032 1
1 224 . 5 1 1 A 19 19 ASP CB C 19 41.200 39.659 1.541 1
1 225 . 5 1 1 A 19 19 ASP N N 19 122.900 122.996 -0.096 1
1 226 . 5 1 1 A 20 20 VAL H H 20 7.900 8.309 -0.409 1
1 227 . 5 1 1 A 20 20 VAL HA H 20 4.200 4.854 -0.654 1
1 235 . 5 1 1 A 20 20 VAL C C 20 175.400 174.829 0.571 1
1 236 . 5 1 1 A 20 20 VAL CA C 20 61.900 60.578 1.322 1
1 237 . 5 1 1 A 20 20 VAL CB C 20 33.500 34.873 -1.373 1
1 240 . 5 1 1 A 20 20 VAL N N 20 119.900 124.596 -4.696 1
1 241 . 5 1 1 A 21 21 GLN H H 21 8.490 8.982 -0.492 1
1 242 . 5 1 1 A 21 21 GLN HA H 21 4.510 4.980 -0.470 1
1 249 . 5 1 1 A 21 21 GLN C C 21 173.800 173.933 -0.133 1
1 250 . 5 1 1 A 21 21 GLN CA C 21 54.700 53.863 0.837 1
1 251 . 5 1 1 A 21 21 GLN CB C 21 31.600 32.285 -0.685 1
1 253 . 5 1 1 A 21 21 GLN N N 21 124.800 122.650 2.150 1
1 255 . 5 1 1 A 22 22 ILE H H 22 8.070 8.876 -0.806 1
1 256 . 5 1 1 A 22 22 ILE HA H 22 4.820 4.792 0.028 1
1 266 . 5 1 1 A 22 22 ILE C C 22 175.500 175.611 -0.111 1
1 267 . 5 1 1 A 22 22 ILE CA C 22 58.700 59.592 -0.892 1
1 268 . 5 1 1 A 22 22 ILE CB C 22 39.800 40.864 -1.064 1
1 272 . 5 1 1 A 22 22 ILE N N 22 120.500 124.001 -3.501 1
1 273 . 5 1 1 A 23 23 ASP H H 23 9.340 8.391 0.949 1
1 274 . 5 1 1 A 23 23 ASP HA H 23 4.570 4.926 -0.356 1
1 277 . 5 1 1 A 23 23 ASP C C 23 178.600 176.153 2.447 1
1 278 . 5 1 1 A 23 23 ASP CA C 23 51.700 52.550 -0.850 1
1 279 . 5 1 1 A 23 23 ASP CB C 23 42.900 41.116 1.784 1
1 280 . 5 1 1 A 23 23 ASP N N 23 128.000 124.567 3.433 1
1 281 . 5 1 1 A 24 24 PHE H H 24 8.860 9.129 -0.269 1
1 282 . 5 1 1 A 24 24 PHE HA H 24 3.960 4.048 -0.088 1
1 290 . 5 1 1 A 24 24 PHE C C 24 175.800 177.146 -1.346 1
1 291 . 5 1 1 A 24 24 PHE CA C 24 61.600 62.011 -0.411 1
1 292 . 5 1 1 A 24 24 PHE CB C 24 41.800 39.285 2.515 1
1 298 . 5 1 1 A 24 24 PHE N N 24 118.500 119.534 -1.034 1
1 299 . 5 1 1 A 25 25 TYR H H 25 8.340 8.349 -0.009 1
1 300 . 5 1 1 A 25 25 TYR HA H 25 4.400 4.328 0.072 1
1 307 . 5 1 1 A 25 25 TYR C C 25 175.700 175.739 -0.039 1
1 308 . 5 1 1 A 25 25 TYR CA C 25 59.200 61.137 -1.937 1
1 309 . 5 1 1 A 25 25 TYR CB C 25 38.700 39.315 -0.615 1
1 314 . 5 1 1 A 25 25 TYR N N 25 114.500 119.849 -5.349 1
1 315 . 5 1 1 A 26 26 GLY H H 26 8.460 8.151 0.309 1
1 316 . 5 1 1 A 26 26 GLY HA2 H 26 4.230 3.964 0.266 1
1 317 . 5 1 1 A 26 26 GLY HA3 H 26 3.500 4.013 -0.513 1
1 318 . 5 1 1 A 26 26 GLY C C 26 174.700 173.823 0.877 1
1 319 . 5 1 1 A 26 26 GLY CA C 26 45.200 44.967 0.233 1
1 320 . 5 1 1 A 26 26 GLY N N 26 109.700 106.910 2.790 1
1 321 . 5 1 1 A 27 27 ASP H H 27 8.400 8.247 0.153 1
1 322 . 5 1 1 A 27 27 ASP HA H 27 4.330 4.978 -0.648 1
1 325 . 5 1 1 A 27 27 ASP C C 27 175.700 175.547 0.153 1
1 326 . 5 1 1 A 27 27 ASP CA C 27 56.700 52.610 4.090 1
1 327 . 5 1 1 A 27 27 ASP CB C 27 30.300 42.280 -11.980 1
1 328 . 5 1 1 A 27 27 ASP N N 27 122.700 121.381 1.319 1
1 329 . 5 1 1 A 28 28 GLU H H 28 7.960 8.646 -0.686 1
1 330 . 5 1 1 A 28 28 GLU HA H 28 4.280 4.470 -0.190 1
1 335 . 5 1 1 A 28 28 GLU C C 28 175.200 175.438 -0.238 1
1 336 . 5 1 1 A 28 28 GLU CA C 28 57.400 56.917 0.483 1
1 337 . 5 1 1 A 28 28 GLU CB C 28 30.500 30.289 0.211 1
1 339 . 5 1 1 A 28 28 GLU N N 28 126.100 126.585 -0.485 1
1 340 . 5 1 1 A 29 29 VAL H H 29 8.550 8.851 -0.301 1
1 341 . 5 1 1 A 29 29 VAL HA H 29 4.180 4.554 -0.374 1
1 349 . 5 1 1 A 29 29 VAL C C 29 176.000 176.130 -0.130 1
1 350 . 5 1 1 A 29 29 VAL CA C 29 61.500 61.330 0.170 1
1 351 . 5 1 1 A 29 29 VAL CB C 29 32.300 32.445 -0.145 1
1 354 . 5 1 1 A 29 29 VAL N N 29 123.500 128.137 -4.637 1
1 355 . 5 1 1 A 30 30 THR H H 30 9.720 9.256 0.464 1
1 356 . 5 1 1 A 30 30 THR HA H 30 5.010 4.935 0.075 1
1 361 . 5 1 1 A 30 30 THR CA C 30 60.800 59.531 1.269 1
1 362 . 5 1 1 A 30 30 THR CB C 30 68.700 69.478 -0.778 1
1 364 . 5 1 1 A 30 30 THR N N 30 122.300 119.766 2.534 1
1 365 . 5 1 1 A 31 31 PRO HA H 31 4.510 4.384 0.126 1
1 372 . 5 1 1 A 31 31 PRO C C 31 176.400 176.853 -0.453 1
1 373 . 5 1 1 A 31 31 PRO CA C 31 65.200 64.738 0.462 1
1 374 . 5 1 1 A 31 31 PRO CB C 31 32.600 32.000 0.600 1
1 377 . 5 1 1 A 32 32 VAL H H 32 6.830 7.975 -1.145 1
1 378 . 5 1 1 A 32 32 VAL HA H 32 4.450 4.176 0.274 1
1 386 . 5 1 1 A 32 32 VAL C C 32 175.700 174.692 1.008 1
1 387 . 5 1 1 A 32 32 VAL CA C 32 60.600 61.836 -1.236 1
1 388 . 5 1 1 A 32 32 VAL CB C 32 31.200 32.093 -0.893 1
1 391 . 5 1 1 A 32 32 VAL N N 32 105.600 113.857 -8.257 1
1 392 . 5 1 1 A 33 33 ASP H H 33 7.800 8.120 -0.320 1
1 393 . 5 1 1 A 33 33 ASP HA H 33 4.910 5.088 -0.178 1
1 396 . 5 1 1 A 33 33 ASP C C 33 174.900 175.236 -0.336 1
1 397 . 5 1 1 A 33 33 ASP CA C 33 55.100 53.152 1.948 1
1 398 . 5 1 1 A 33 33 ASP CB C 33 43.900 43.123 0.777 1
1 399 . 5 1 1 A 33 33 ASP N N 33 122.100 122.286 -0.186 1
1 400 . 5 1 1 A 34 34 ASP H H 34 8.810 8.649 0.161 1
1 401 . 5 1 1 A 34 34 ASP HA H 34 5.060 5.168 -0.108 1
1 404 . 5 1 1 A 34 34 ASP C C 34 176.500 174.949 1.551 1
1 405 . 5 1 1 A 34 34 ASP CA C 34 53.700 53.449 0.251 1
1 406 . 5 1 1 A 34 34 ASP CB C 34 41.600 42.044 -0.444 1
1 407 . 5 1 1 A 34 34 ASP N N 34 121.800 121.371 0.429 1
1 408 . 5 1 1 A 35 35 TYR H H 35 8.570 8.606 -0.036 1
1 409 . 5 1 1 A 35 35 TYR HA H 35 5.220 5.424 -0.204 1
1 416 . 5 1 1 A 35 35 TYR C C 35 171.800 173.171 -1.371 1
1 417 . 5 1 1 A 35 35 TYR CA C 35 56.300 56.117 0.183 1
1 418 . 5 1 1 A 35 35 TYR CB C 35 40.700 42.117 -1.417 1
1 423 . 5 1 1 A 35 35 TYR N N 35 117.900 119.907 -2.007 1
1 424 . 5 1 1 A 36 36 VAL H H 36 9.340 8.646 0.694 1
1 425 . 5 1 1 A 36 36 VAL HA H 36 4.660 4.684 -0.024 1
1 433 . 5 1 1 A 36 36 VAL C C 36 173.300 174.687 -1.387 1
1 434 . 5 1 1 A 36 36 VAL CA C 36 59.300 60.501 -1.201 1
1 435 . 5 1 1 A 36 36 VAL CB C 36 35.100 35.872 -0.772 1
1 438 . 5 1 1 A 36 36 VAL N N 36 120.700 119.656 1.044 1
1 439 . 5 1 1 A 37 37 ILE H H 37 8.820 8.880 -0.060 1
1 440 . 5 1 1 A 37 37 ILE HA H 37 4.820 5.153 -0.333 1
1 450 . 5 1 1 A 37 37 ILE C C 37 175.500 174.089 1.411 1
1 451 . 5 1 1 A 37 37 ILE CA C 37 59.700 60.214 -0.514 1
1 452 . 5 1 1 A 37 37 ILE CB C 37 40.600 38.898 1.702 1
1 456 . 5 1 1 A 37 37 ILE N N 37 124.100 127.497 -3.397 1
1 457 . 5 1 1 A 38 38 ASP H H 38 8.280 9.035 -0.755 1
1 458 . 5 1 1 A 38 38 ASP HA H 38 4.430 5.064 -0.634 1
1 461 . 5 1 1 A 38 38 ASP C C 38 177.000 176.766 0.234 1
1 462 . 5 1 1 A 38 38 ASP CA C 38 51.400 53.255 -1.855 1
1 463 . 5 1 1 A 38 38 ASP CB C 38 41.200 41.485 -0.285 1
1 464 . 5 1 1 A 38 38 ASP N N 38 126.600 127.124 -0.524 1
1 465 . 5 1 1 A 39 39 GLY H H 39 8.910 8.369 0.541 1
1 466 . 5 1 1 A 39 39 GLY HA2 H 39 3.640 3.950 -0.310 1
1 467 . 5 1 1 A 39 39 GLY HA3 H 39 3.850 3.989 -0.139 1
1 468 . 5 1 1 A 39 39 GLY C C 39 174.500 174.097 0.403 1
1 469 . 5 1 1 A 39 39 GLY CA C 39 47.600 45.545 2.055 1
1 470 . 5 1 1 A 39 39 GLY N N 39 114.900 114.230 0.670 1
1 471 . 5 1 1 A 40 40 GLY H H 40 8.220 8.434 -0.214 1
1 472 . 5 1 1 A 40 40 GLY HA2 H 40 3.900 4.079 -0.179 1
1 473 . 5 1 1 A 40 40 GLY HA3 H 40 3.900 4.080 -0.180 1
1 474 . 5 1 1 A 40 40 GLY C C 40 173.900 174.380 -0.480 1
1 475 . 5 1 1 A 40 40 GLY CA C 40 45.000 45.532 -0.532 1
1 476 . 5 1 1 A 40 40 GLY N N 40 112.200 107.134 5.066 1
1 477 . 5 1 1 A 41 41 GLU H H 41 7.770 7.479 0.291 1
1 478 . 5 1 1 A 41 41 GLU HA H 41 4.750 4.467 0.283 1
1 483 . 5 1 1 A 41 41 GLU C C 41 174.800 175.879 -1.079 1
1 484 . 5 1 1 A 41 41 GLU CA C 41 54.300 56.387 -2.087 1
1 485 . 5 1 1 A 41 41 GLU CB C 41 30.300 30.683 -0.383 1
1 487 . 5 1 1 A 41 41 GLU N N 41 120.200 120.573 -0.373 1
1 488 . 5 1 1 A 42 42 ILE H H 42 8.720 8.489 0.231 1
1 489 . 5 1 1 A 42 42 ILE HA H 42 4.780 4.741 0.039 1
1 499 . 5 1 1 A 42 42 ILE C C 42 174.800 175.241 -0.441 1
1 500 . 5 1 1 A 42 42 ILE CA C 42 59.200 61.183 -1.983 1
1 501 . 5 1 1 A 42 42 ILE CB C 42 40.300 38.228 2.072 1
1 505 . 5 1 1 A 42 42 ILE N N 42 122.000 123.863 -1.863 1
1 506 . 5 1 1 A 43 43 ILE H H 43 9.230 8.626 0.604 1
1 507 . 5 1 1 A 43 43 ILE HA H 43 4.480 4.690 -0.210 1
1 517 . 5 1 1 A 43 43 ILE C C 43 176.400 174.784 1.616 1
1 518 . 5 1 1 A 43 43 ILE CA C 43 61.000 60.143 0.857 1
1 519 . 5 1 1 A 43 43 ILE CB C 43 42.300 42.333 -0.033 1
1 523 . 5 1 1 A 43 43 ILE N N 43 126.400 127.522 -1.122 1
1 524 . 5 1 1 A 44 44 LEU H H 44 10.930 8.741 2.189 1
1 525 . 5 1 1 A 44 44 LEU HA H 44 4.280 4.345 -0.065 1
1 535 . 5 1 1 A 44 44 LEU C C 44 179.300 178.424 0.876 1
1 536 . 5 1 1 A 44 44 LEU CA C 44 56.500 55.710 0.790 1
1 537 . 5 1 1 A 44 44 LEU CB C 44 42.600 43.693 -1.093 1
1 541 . 5 1 1 A 44 44 LEU N N 44 130.900 129.145 1.755 1
1 542 . 5 1 1 A 45 45 ARG H H 45 8.610 8.705 -0.095 1
1 543 . 5 1 1 A 45 45 ARG HA H 45 3.890 4.193 -0.303 1
1 551 . 5 1 1 A 45 45 ARG C C 45 179.300 178.089 1.211 1
1 552 . 5 1 1 A 45 45 ARG CA C 45 60.200 58.555 1.645 1
1 553 . 5 1 1 A 45 45 ARG CB C 45 29.400 29.957 -0.557 1
1 556 . 5 1 1 A 45 45 ARG N N 45 125.400 126.525 -1.125 1
1 558 . 5 1 1 A 46 46 GLU H H 46 9.020 7.894 1.126 1
1 559 . 5 1 1 A 46 46 GLU HA H 46 4.210 4.070 0.140 1
1 564 . 5 1 1 A 46 46 GLU C C 46 176.700 179.279 -2.579 1
1 565 . 5 1 1 A 46 46 GLU CA C 46 59.000 59.126 -0.126 1
1 566 . 5 1 1 A 46 46 GLU CB C 46 29.600 29.522 0.078 1
1 568 . 5 1 1 A 46 46 GLU N N 46 117.500 120.395 -2.895 1
1 569 . 5 1 1 A 47 47 ASN H H 47 7.870 8.259 -0.389 1
1 570 . 5 1 1 A 47 47 ASN HA H 47 5.100 4.542 0.558 1
1 573 . 5 1 1 A 47 47 ASN C C 47 175.200 177.643 -2.443 1
1 574 . 5 1 1 A 47 47 ASN CA C 47 52.800 55.301 -2.501 1
1 575 . 5 1 1 A 47 47 ASN CB C 47 40.500 38.299 2.201 1
1 576 . 5 1 1 A 47 47 ASN N N 47 115.900 118.439 -2.539 1
1 577 . 5 1 1 A 48 48 LEU H H 48 7.760 8.203 -0.443 1
1 578 . 5 1 1 A 48 48 LEU HA H 48 4.060 4.148 -0.088 1
1 588 . 5 1 1 A 48 48 LEU C C 48 177.200 178.606 -1.406 1
1 589 . 5 1 1 A 48 48 LEU CA C 48 59.000 58.157 0.843 1
1 590 . 5 1 1 A 48 48 LEU CB C 48 42.800 41.486 1.314 1
1 594 . 5 1 1 A 48 48 LEU N N 48 122.300 121.886 0.414 1
1 595 . 5 1 1 A 49 49 GLU H H 49 8.770 7.864 0.906 1
1 596 . 5 1 1 A 49 49 GLU HA H 49 3.670 3.951 -0.281 1
1 601 . 5 1 1 A 49 49 GLU C C 49 176.200 179.175 -2.975 1
1 602 . 5 1 1 A 49 49 GLU CA C 49 61.300 59.917 1.383 1
1 603 . 5 1 1 A 49 49 GLU CB C 49 28.200 29.657 -1.457 1
1 605 . 5 1 1 A 49 49 GLU N N 49 118.800 118.903 -0.103 1
1 606 . 5 1 1 A 50 50 ARG H H 50 8.000 8.074 -0.074 1
1 607 . 5 1 1 A 50 50 ARG HA H 50 3.860 4.063 -0.203 1
1 615 . 5 1 1 A 50 50 ARG C C 50 174.100 178.599 -4.499 1
1 616 . 5 1 1 A 50 50 ARG CA C 50 60.100 58.902 1.198 1
1 617 . 5 1 1 A 50 50 ARG CB C 50 29.900 29.957 -0.057 1
1 620 . 5 1 1 A 50 50 ARG N N 50 119.100 120.422 -1.322 1
1 622 . 5 1 1 A 51 51 TYR H H 51 8.250 8.211 0.039 1
1 623 . 5 1 1 A 51 51 TYR HA H 51 4.610 4.095 0.515 1
1 630 . 5 1 1 A 51 51 TYR C C 51 178.500 177.059 1.441 1
1 631 . 5 1 1 A 51 51 TYR CA C 51 61.700 61.388 0.312 1
1 632 . 5 1 1 A 51 51 TYR CB C 51 40.000 38.644 1.356 1
1 637 . 5 1 1 A 51 51 TYR N N 51 120.400 121.471 -1.071 1
1 638 . 5 1 1 A 52 52 LEU H H 52 9.030 8.618 0.412 1
1 639 . 5 1 1 A 52 52 LEU HA H 52 3.690 3.746 -0.056 1
1 649 . 5 1 1 A 52 52 LEU C C 52 180.000 179.150 0.850 1
1 650 . 5 1 1 A 52 52 LEU CA C 52 57.600 57.353 0.247 1
1 651 . 5 1 1 A 52 52 LEU CB C 52 40.800 41.212 -0.412 1
1 655 . 5 1 1 A 52 52 LEU N N 52 118.300 118.494 -0.194 1
1 656 . 5 1 1 A 53 53 ARG H H 53 8.530 7.894 0.636 1
1 657 . 5 1 1 A 53 53 ARG HA H 53 4.820 3.881 0.939 1
1 665 . 5 1 1 A 53 53 ARG C C 53 179.100 178.586 0.514 1
1 666 . 5 1 1 A 53 53 ARG CA C 53 59.300 59.701 -0.401 1
1 667 . 5 1 1 A 53 53 ARG CB C 53 31.900 29.957 1.943 1
1 670 . 5 1 1 A 53 53 ARG N N 53 119.400 120.739 -1.339 1
1 672 . 5 1 1 A 54 54 GLU H H 54 9.090 7.908 1.182 1
1 673 . 5 1 1 A 54 54 GLU HA H 54 4.100 4.103 -0.003 1
1 678 . 5 1 1 A 54 54 GLU C C 54 178.700 178.096 0.604 1
1 679 . 5 1 1 A 54 54 GLU CA C 54 59.300 58.887 0.413 1
1 680 . 5 1 1 A 54 54 GLU CB C 54 31.000 29.797 1.203 1
1 682 . 5 1 1 A 54 54 GLU N N 54 116.700 118.787 -2.087 1
1 683 . 5 1 1 A 55 55 GLN H H 55 8.760 7.822 0.938 1
1 684 . 5 1 1 A 55 55 GLN HA H 55 4.290 3.957 0.333 1
1 691 . 5 1 1 A 55 55 GLN C C 55 177.700 175.563 2.137 1
1 692 . 5 1 1 A 55 55 GLN CA C 55 55.800 57.501 -1.701 1
1 693 . 5 1 1 A 55 55 GLN CB C 55 28.000 28.761 -0.761 1
1 695 . 5 1 1 A 55 55 GLN N N 55 113.900 119.013 -5.113 1
1 697 . 5 1 1 A 56 56 LEU H H 56 6.650 7.766 -1.116 1
1 698 . 5 1 1 A 56 56 LEU HA H 56 4.700 3.810 0.890 1
1 708 . 5 1 1 A 56 56 LEU C C 56 178.000 177.051 0.949 1
1 709 . 5 1 1 A 56 56 LEU CA C 56 55.300 55.745 -0.445 1
1 710 . 5 1 1 A 56 56 LEU CB C 56 43.800 40.701 3.099 1
1 714 . 5 1 1 A 56 56 LEU N N 56 116.200 119.897 -3.697 1
1 715 . 5 1 1 A 57 57 GLY H H 57 7.160 8.041 -0.881 1
1 716 . 5 1 1 A 57 57 GLY HA2 H 57 4.070 3.589 0.481 1
1 717 . 5 1 1 A 57 57 GLY HA3 H 57 4.070 3.717 0.353 1
1 718 . 5 1 1 A 57 57 GLY C C 57 175.000 173.997 1.003 1
1 719 . 5 1 1 A 57 57 GLY CA C 57 46.900 44.995 1.905 1
1 720 . 5 1 1 A 57 57 GLY N N 57 109.000 106.033 2.967 1
1 721 . 5 1 1 A 58 58 PHE H H 58 8.480 7.991 0.489 1
1 722 . 5 1 1 A 58 58 PHE HA H 58 4.690 4.289 0.401 1
1 730 . 5 1 1 A 58 58 PHE C C 58 175.700 173.787 1.913 1
1 731 . 5 1 1 A 58 58 PHE CA C 58 57.900 59.882 -1.982 1
1 732 . 5 1 1 A 58 58 PHE CB C 58 39.500 37.231 2.269 1
1 738 . 5 1 1 A 58 58 PHE N N 58 123.100 116.613 6.487 1
1 739 . 5 1 1 A 59 59 GLU H H 59 8.440 8.593 -0.153 1
1 740 . 5 1 1 A 59 59 GLU HA H 59 4.820 4.811 0.009 1
1 745 . 5 1 1 A 59 59 GLU C C 59 174.700 175.214 -0.514 1
1 746 . 5 1 1 A 59 59 GLU CA C 59 54.600 55.328 -0.728 1
1 747 . 5 1 1 A 59 59 GLU CB C 59 32.800 30.598 2.202 1
1 749 . 5 1 1 A 59 59 GLU N N 59 118.600 121.246 -2.646 1
1 750 . 5 1 1 A 60 60 PHE H H 60 9.110 9.020 0.090 1
1 751 . 5 1 1 A 60 60 PHE HA H 60 4.470 5.031 -0.561 1
1 759 . 5 1 1 A 60 60 PHE C C 60 175.100 175.070 0.030 1
1 760 . 5 1 1 A 60 60 PHE CA C 60 58.100 56.905 1.195 1
1 761 . 5 1 1 A 60 60 PHE CB C 60 39.900 39.067 0.833 1
1 767 . 5 1 1 A 60 60 PHE N N 60 124.300 125.279 -0.979 1
1 768 . 5 1 1 A 61 61 LYS H H 61 8.510 8.911 -0.401 1
1 769 . 5 1 1 A 61 61 LYS HA H 61 4.360 4.811 -0.451 1
1 778 . 5 1 1 A 61 61 LYS C C 61 174.700 175.506 -0.806 1
1 779 . 5 1 1 A 61 61 LYS CA C 61 53.800 55.024 -1.224 1
1 780 . 5 1 1 A 61 61 LYS CB C 61 31.300 34.025 -2.725 1
1 784 . 5 1 1 A 61 61 LYS N N 61 124.900 124.808 0.092 1
1 785 . 5 1 1 A 62 62 ASN H H 62 8.400 8.917 -0.517 1
1 786 . 5 1 1 A 62 62 ASN HA H 62 4.910 4.896 0.014 1
1 789 . 5 1 1 A 62 62 ASN C C 62 175.500 176.526 -1.026 1
1 790 . 5 1 1 A 62 62 ASN CA C 62 52.400 53.380 -0.980 1
1 791 . 5 1 1 A 62 62 ASN CB C 62 39.400 40.009 -0.609 1
1 792 . 5 1 1 A 62 62 ASN N N 62 121.800 124.365 -2.565 1
1 793 . 5 1 1 A 63 63 ALA H H 63 8.960 8.615 0.345 1
1 794 . 5 1 1 A 63 63 ALA HA H 63 4.170 4.126 0.044 1
1 798 . 5 1 1 A 63 63 ALA C C 63 178.200 178.340 -0.140 1
1 799 . 5 1 1 A 63 63 ALA CA C 63 53.300 55.109 -1.809 1
1 800 . 5 1 1 A 63 63 ALA CB C 63 19.300 19.154 0.146 1
1 801 . 5 1 1 A 63 63 ALA N N 63 126.200 127.160 -0.960 1
1 802 . 5 1 1 A 64 64 GLN H H 64 8.570 7.612 0.958 1
1 803 . 5 1 1 A 64 64 GLN HA H 64 4.280 4.591 -0.311 1
1 810 . 5 1 1 A 64 64 GLN C C 64 176.200 174.841 1.359 1
1 811 . 5 1 1 A 64 64 GLN CA C 64 56.300 55.198 1.102 1
1 812 . 5 1 1 A 64 64 GLN CB C 64 29.400 30.356 -0.956 1
1 814 . 5 1 1 A 64 64 GLN N N 64 119.900 115.190 4.710 1
1 816 . 5 1 1 A 65 65 LEU H H 65 8.080 8.103 -0.023 1
1 817 . 5 1 1 A 65 65 LEU HA H 65 4.320 4.555 -0.235 1
1 827 . 5 1 1 A 65 65 LEU C C 65 177.200 176.986 0.214 1
1 828 . 5 1 1 A 65 65 LEU CA C 65 55.300 53.340 1.960 1
1 829 . 5 1 1 A 65 65 LEU CB C 65 42.700 44.363 -1.663 1
1 833 . 5 1 1 A 65 65 LEU N N 65 121.700 121.615 0.085 1
1 834 . 5 1 1 A 66 66 GLU H H 66 8.290 8.626 -0.336 1
1 835 . 5 1 1 A 66 66 GLU HA H 66 4.190 4.106 0.084 1
1 840 . 5 1 1 A 66 66 GLU C C 66 176.300 175.849 0.451 1
1 841 . 5 1 1 A 66 66 GLU CA C 66 56.800 56.642 0.158 1
1 842 . 5 1 1 A 66 66 GLU CB C 66 30.400 28.723 1.677 1
1 844 . 5 1 1 A 66 66 GLU N N 66 120.400 119.615 0.785 1
1 845 . 5 1 1 A 67 67 HIS H H 67 8.280 7.540 0.740 1
1 846 . 5 1 1 A 67 67 HIS HA H 67 4.620 4.579 0.041 1
1 850 . 5 1 1 A 67 67 HIS C C 67 173.900 174.294 -0.394 1
1 851 . 5 1 1 A 67 67 HIS CA C 67 55.900 54.793 1.107 1
1 852 . 5 1 1 A 67 67 HIS CB C 67 30.100 28.393 1.707 1
1 854 . 5 1 1 A 67 67 HIS N N 67 119.300 120.389 -1.089 1
1 855 . 5 1 1 A 68 68 HIS H H 68 8.180 8.672 -0.492 1
1 856 . 5 1 1 A 68 68 HIS HA H 68 4.440 4.572 -0.132 1
1 859 . 5 1 1 A 68 68 HIS CA C 68 57.300 55.778 1.522 1
1 860 . 5 1 1 A 68 68 HIS CB C 68 30.200 30.550 -0.350 1
1 861 . 5 1 1 A 68 68 HIS N N 68 125.300 123.849 1.451 1
1 2 . 6 1 1 A 2 2 VAL H H 2 8.100 8.696 -0.596 1
1 3 . 6 1 1 A 2 2 VAL HA H 2 4.090 3.936 0.154 1
1 5 . 6 1 1 A 2 2 VAL C C 2 176.500 176.608 -0.108 1
1 6 . 6 1 1 A 2 2 VAL CA C 2 62.300 65.259 -2.959 1
1 7 . 6 1 1 A 2 2 VAL CB C 2 32.700 31.422 1.278 1
1 8 . 6 1 1 A 2 2 VAL N N 2 124.800 122.419 2.381 1
1 9 . 6 1 1 A 3 3 GLU H H 3 8.500 7.619 0.881 1
1 10 . 6 1 1 A 3 3 GLU HA H 3 4.280 4.433 -0.153 1
1 15 . 6 1 1 A 3 3 GLU C C 3 175.900 175.501 0.399 1
1 16 . 6 1 1 A 3 3 GLU CA C 3 56.500 55.914 0.586 1
1 17 . 6 1 1 A 3 3 GLU CB C 3 30.400 30.047 0.353 1
1 19 . 6 1 1 A 3 3 GLU N N 3 124.200 120.151 4.049 1
1 20 . 6 1 1 A 4 4 ASN H H 4 8.500 7.614 0.886 1
1 21 . 6 1 1 A 4 4 ASN HA H 4 4.970 5.208 -0.238 1
1 26 . 6 1 1 A 4 4 ASN CA C 4 51.200 49.831 1.369 1
1 27 . 6 1 1 A 4 4 ASN CB C 4 39.000 40.133 -1.133 1
1 28 . 6 1 1 A 4 4 ASN N N 4 120.700 119.054 1.646 1
1 30 . 6 1 1 A 5 5 PRO HA H 5 4.390 4.629 -0.239 1
1 37 . 6 1 1 A 5 5 PRO C C 5 176.800 176.737 0.063 1
1 38 . 6 1 1 A 5 5 PRO CA C 5 63.500 62.175 1.325 1
1 39 . 6 1 1 A 5 5 PRO CB C 5 32.200 29.373 2.827 1
1 42 . 6 1 1 A 6 6 MET H H 6 8.300 8.223 0.077 1
1 43 . 6 1 1 A 6 6 MET HA H 6 4.400 4.361 0.039 1
1 51 . 6 1 1 A 6 6 MET C C 6 176.200 176.400 -0.200 1
1 52 . 6 1 1 A 6 6 MET CA C 6 55.800 56.978 -1.178 1
1 53 . 6 1 1 A 6 6 MET CB C 6 32.600 33.645 -1.045 1
1 56 . 6 1 1 A 6 6 MET N N 6 119.400 122.242 -2.842 1
1 57 . 6 1 1 A 7 7 VAL H H 7 7.980 7.768 0.212 1
1 58 . 6 1 1 A 7 7 VAL HA H 7 4.080 4.076 0.004 1
1 66 . 6 1 1 A 7 7 VAL C C 7 175.800 174.651 1.149 1
1 67 . 6 1 1 A 7 7 VAL CA C 7 62.400 62.227 0.173 1
1 68 . 6 1 1 A 7 7 VAL CB C 7 32.800 30.366 2.434 1
1 71 . 6 1 1 A 7 7 VAL N N 7 121.500 120.262 1.238 1
1 72 . 6 1 1 A 8 8 ILE H H 8 8.140 8.854 -0.714 1
1 73 . 6 1 1 A 8 8 ILE HA H 8 4.120 4.958 -0.838 1
1 83 . 6 1 1 A 8 8 ILE C C 8 175.800 173.837 1.963 1
1 84 . 6 1 1 A 8 8 ILE CA C 8 60.900 58.875 2.025 1
1 85 . 6 1 1 A 8 8 ILE CB C 8 38.600 40.788 -2.188 1
1 89 . 6 1 1 A 8 8 ILE N N 8 124.500 128.066 -3.566 1
1 90 . 6 1 1 A 9 9 ASN H H 9 8.450 8.406 0.044 1
1 91 . 6 1 1 A 9 9 ASN HA H 9 4.630 4.877 -0.247 1
1 96 . 6 1 1 A 9 9 ASN C C 9 174.700 174.446 0.254 1
1 97 . 6 1 1 A 9 9 ASN CA C 9 53.200 52.483 0.717 1
1 98 . 6 1 1 A 9 9 ASN CB C 9 39.000 39.097 -0.097 1
1 99 . 6 1 1 A 9 9 ASN N N 9 122.700 126.421 -3.721 1
1 101 . 6 1 1 A 10 10 ASN H H 10 8.320 8.478 -0.158 1
1 102 . 6 1 1 A 10 10 ASN HA H 10 4.680 4.346 0.334 1
1 107 . 6 1 1 A 10 10 ASN C C 10 175.000 175.422 -0.422 1
1 108 . 6 1 1 A 10 10 ASN CA C 10 53.100 53.324 -0.224 1
1 109 . 6 1 1 A 10 10 ASN CB C 10 38.700 38.539 0.161 1
1 110 . 6 1 1 A 10 10 ASN N N 10 119.600 122.803 -3.203 1
1 112 . 6 1 1 A 11 11 TRP H H 11 8.060 8.738 -0.678 1
1 113 . 6 1 1 A 11 11 TRP HA H 11 4.550 4.697 -0.147 1
1 122 . 6 1 1 A 11 11 TRP C C 11 176.200 175.356 0.844 1
1 123 . 6 1 1 A 11 11 TRP CA C 11 57.800 55.745 2.055 1
1 124 . 6 1 1 A 11 11 TRP CB C 11 29.300 27.230 2.070 1
1 130 . 6 1 1 A 11 11 TRP N N 11 121.200 124.549 -3.349 1
1 132 . 6 1 1 A 12 12 HIS H H 12 7.980 7.649 0.331 1
1 133 . 6 1 1 A 12 12 HIS HA H 12 4.410 4.966 -0.556 1
1 137 . 6 1 1 A 12 12 HIS C C 12 174.400 174.737 -0.337 1
1 138 . 6 1 1 A 12 12 HIS CA C 12 56.200 54.163 2.037 1
1 139 . 6 1 1 A 12 12 HIS CB C 12 29.600 30.092 -0.492 1
1 141 . 6 1 1 A 12 12 HIS N N 12 119.900 118.458 1.442 1
1 142 . 6 1 1 A 13 13 ASP H H 13 8.130 8.884 -0.754 1
1 143 . 6 1 1 A 13 13 ASP HA H 13 4.470 4.381 0.089 1
1 146 . 6 1 1 A 13 13 ASP C C 13 176.100 176.495 -0.395 1
1 147 . 6 1 1 A 13 13 ASP CA C 13 54.700 57.227 -2.527 1
1 148 . 6 1 1 A 13 13 ASP CB C 13 41.100 41.518 -0.418 1
1 149 . 6 1 1 A 13 13 ASP N N 13 120.600 125.431 -4.831 1
1 150 . 6 1 1 A 14 14 LYS H H 14 8.150 7.808 0.342 1
1 151 . 6 1 1 A 14 14 LYS HA H 14 4.270 4.878 -0.608 1
1 160 . 6 1 1 A 14 14 LYS C C 14 176.600 174.811 1.789 1
1 161 . 6 1 1 A 14 14 LYS CA C 14 56.500 54.875 1.625 1
1 162 . 6 1 1 A 14 14 LYS CB C 14 32.900 35.755 -2.855 1
1 166 . 6 1 1 A 14 14 LYS N N 14 120.900 113.587 7.313 1
1 167 . 6 1 1 A 15 15 LEU H H 15 8.220 8.750 -0.530 1
1 168 . 6 1 1 A 15 15 LEU HA H 15 4.360 4.693 -0.333 1
1 178 . 6 1 1 A 15 15 LEU C C 15 177.600 175.536 2.064 1
1 179 . 6 1 1 A 15 15 LEU CA C 15 55.600 53.891 1.709 1
1 180 . 6 1 1 A 15 15 LEU CB C 15 42.200 42.297 -0.097 1
1 184 . 6 1 1 A 15 15 LEU N N 15 122.500 122.295 0.205 1
1 185 . 6 1 1 A 16 16 THR H H 16 8.090 8.437 -0.347 1
1 186 . 6 1 1 A 16 16 THR HA H 16 4.340 4.525 -0.185 1
1 191 . 6 1 1 A 16 16 THR C C 16 174.700 174.112 0.588 1
1 192 . 6 1 1 A 16 16 THR CA C 16 61.700 61.898 -0.198 1
1 193 . 6 1 1 A 16 16 THR CB C 16 70.000 69.648 0.352 1
1 195 . 6 1 1 A 16 16 THR N N 16 113.800 116.736 -2.936 1
1 196 . 6 1 1 A 17 17 GLU H H 17 8.400 8.917 -0.517 1
1 197 . 6 1 1 A 17 17 GLU HA H 17 4.330 4.480 -0.150 1
1 202 . 6 1 1 A 17 17 GLU C C 17 176.500 176.563 -0.063 1
1 203 . 6 1 1 A 17 17 GLU CA C 17 56.900 56.923 -0.023 1
1 204 . 6 1 1 A 17 17 GLU CB C 17 30.200 28.831 1.369 1
1 206 . 6 1 1 A 17 17 GLU N N 17 122.700 121.344 1.356 1
1 207 . 6 1 1 A 18 18 THR H H 18 8.040 8.899 -0.859 1
1 208 . 6 1 1 A 18 18 THR HA H 18 4.350 4.530 -0.180 1
1 213 . 6 1 1 A 18 18 THR C C 18 174.000 174.595 -0.595 1
1 214 . 6 1 1 A 18 18 THR CA C 18 61.700 62.042 -0.342 1
1 215 . 6 1 1 A 18 18 THR CB C 18 69.800 69.419 0.381 1
1 217 . 6 1 1 A 18 18 THR N N 18 113.600 118.582 -4.982 1
1 218 . 6 1 1 A 19 19 ASP H H 19 8.290 7.885 0.405 1
1 219 . 6 1 1 A 19 19 ASP HA H 19 4.640 4.681 -0.041 1
1 222 . 6 1 1 A 19 19 ASP C C 19 175.500 175.725 -0.225 1
1 223 . 6 1 1 A 19 19 ASP CA C 19 54.500 54.030 0.470 1
1 224 . 6 1 1 A 19 19 ASP CB C 19 41.200 41.034 0.166 1
1 225 . 6 1 1 A 19 19 ASP N N 19 122.900 119.612 3.288 1
1 226 . 6 1 1 A 20 20 VAL H H 20 7.900 7.549 0.351 1
1 227 . 6 1 1 A 20 20 VAL HA H 20 4.200 4.061 0.139 1
1 235 . 6 1 1 A 20 20 VAL C C 20 175.400 174.731 0.669 1
1 236 . 6 1 1 A 20 20 VAL CA C 20 61.900 62.390 -0.490 1
1 237 . 6 1 1 A 20 20 VAL CB C 20 33.500 30.196 3.304 1
1 240 . 6 1 1 A 20 20 VAL N N 20 119.900 121.158 -1.258 1
1 241 . 6 1 1 A 21 21 GLN H H 21 8.490 7.918 0.572 1
1 242 . 6 1 1 A 21 21 GLN HA H 21 4.510 4.705 -0.195 1
1 249 . 6 1 1 A 21 21 GLN C C 21 173.800 174.778 -0.978 1
1 250 . 6 1 1 A 21 21 GLN CA C 21 54.700 54.542 0.158 1
1 251 . 6 1 1 A 21 21 GLN CB C 21 31.600 29.907 1.693 1
1 253 . 6 1 1 A 21 21 GLN N N 21 124.800 125.061 -0.261 1
1 255 . 6 1 1 A 22 22 ILE H H 22 8.070 8.422 -0.352 1
1 256 . 6 1 1 A 22 22 ILE HA H 22 4.820 4.856 -0.036 1
1 266 . 6 1 1 A 22 22 ILE C C 22 175.500 175.552 -0.052 1
1 267 . 6 1 1 A 22 22 ILE CA C 22 58.700 59.435 -0.735 1
1 268 . 6 1 1 A 22 22 ILE CB C 22 39.800 41.410 -1.610 1
1 272 . 6 1 1 A 22 22 ILE N N 22 120.500 121.392 -0.892 1
1 273 . 6 1 1 A 23 23 ASP H H 23 9.340 8.262 1.078 1
1 274 . 6 1 1 A 23 23 ASP HA H 23 4.570 4.998 -0.428 1
1 277 . 6 1 1 A 23 23 ASP C C 23 178.600 176.316 2.284 1
1 278 . 6 1 1 A 23 23 ASP CA C 23 51.700 52.554 -0.854 1
1 279 . 6 1 1 A 23 23 ASP CB C 23 42.900 41.438 1.462 1
1 280 . 6 1 1 A 23 23 ASP N N 23 128.000 124.610 3.390 1
1 281 . 6 1 1 A 24 24 PHE H H 24 8.860 8.736 0.124 1
1 282 . 6 1 1 A 24 24 PHE HA H 24 3.960 4.126 -0.166 1
1 290 . 6 1 1 A 24 24 PHE C C 24 175.800 177.061 -1.261 1
1 291 . 6 1 1 A 24 24 PHE CA C 24 61.600 60.732 0.868 1
1 292 . 6 1 1 A 24 24 PHE CB C 24 41.800 39.122 2.678 1
1 298 . 6 1 1 A 24 24 PHE N N 24 118.500 119.372 -0.872 1
1 299 . 6 1 1 A 25 25 TYR H H 25 8.340 8.412 -0.072 1
1 300 . 6 1 1 A 25 25 TYR HA H 25 4.400 4.370 0.030 1
1 307 . 6 1 1 A 25 25 TYR C C 25 175.700 175.748 -0.048 1
1 308 . 6 1 1 A 25 25 TYR CA C 25 59.200 61.144 -1.944 1
1 309 . 6 1 1 A 25 25 TYR CB C 25 38.700 39.204 -0.504 1
1 314 . 6 1 1 A 25 25 TYR N N 25 114.500 119.892 -5.392 1
1 315 . 6 1 1 A 26 26 GLY H H 26 8.460 7.988 0.472 1
1 316 . 6 1 1 A 26 26 GLY HA2 H 26 4.230 4.059 0.171 1
1 317 . 6 1 1 A 26 26 GLY HA3 H 26 3.500 4.061 -0.561 1
1 318 . 6 1 1 A 26 26 GLY C C 26 174.700 173.815 0.885 1
1 319 . 6 1 1 A 26 26 GLY CA C 26 45.200 45.102 0.098 1
1 320 . 6 1 1 A 26 26 GLY N N 26 109.700 106.498 3.202 1
1 321 . 6 1 1 A 27 27 ASP H H 27 8.400 8.096 0.304 1
1 322 . 6 1 1 A 27 27 ASP HA H 27 4.330 4.953 -0.623 1
1 325 . 6 1 1 A 27 27 ASP C C 27 175.700 175.285 0.415 1
1 326 . 6 1 1 A 27 27 ASP CA C 27 56.700 52.676 4.024 1
1 327 . 6 1 1 A 27 27 ASP CB C 27 30.300 42.608 -12.308 1
1 328 . 6 1 1 A 27 27 ASP N N 27 122.700 120.930 1.770 1
1 329 . 6 1 1 A 28 28 GLU H H 28 7.960 8.583 -0.623 1
1 330 . 6 1 1 A 28 28 GLU HA H 28 4.280 4.346 -0.066 1
1 335 . 6 1 1 A 28 28 GLU C C 28 175.200 176.276 -1.076 1
1 336 . 6 1 1 A 28 28 GLU CA C 28 57.400 56.748 0.652 1
1 337 . 6 1 1 A 28 28 GLU CB C 28 30.500 29.780 0.720 1
1 339 . 6 1 1 A 28 28 GLU N N 28 126.100 125.515 0.585 1
1 340 . 6 1 1 A 29 29 VAL H H 29 8.550 9.306 -0.756 1
1 341 . 6 1 1 A 29 29 VAL HA H 29 4.180 4.436 -0.256 1
1 349 . 6 1 1 A 29 29 VAL C C 29 176.000 176.038 -0.038 1
1 350 . 6 1 1 A 29 29 VAL CA C 29 61.500 61.776 -0.276 1
1 351 . 6 1 1 A 29 29 VAL CB C 29 32.300 31.925 0.375 1
1 354 . 6 1 1 A 29 29 VAL N N 29 123.500 126.076 -2.576 1
1 355 . 6 1 1 A 30 30 THR H H 30 9.720 9.020 0.700 1
1 356 . 6 1 1 A 30 30 THR HA H 30 5.010 4.907 0.103 1
1 361 . 6 1 1 A 30 30 THR CA C 30 60.800 59.120 1.680 1
1 362 . 6 1 1 A 30 30 THR CB C 30 68.700 69.838 -1.138 1
1 364 . 6 1 1 A 30 30 THR N N 30 122.300 119.032 3.268 1
1 365 . 6 1 1 A 31 31 PRO HA H 31 4.510 4.503 0.007 1
1 372 . 6 1 1 A 31 31 PRO C C 31 176.400 177.517 -1.117 1
1 373 . 6 1 1 A 31 31 PRO CA C 31 65.200 64.426 0.774 1
1 374 . 6 1 1 A 31 31 PRO CB C 31 32.600 31.880 0.720 1
1 377 . 6 1 1 A 32 32 VAL H H 32 6.830 7.802 -0.972 1
1 378 . 6 1 1 A 32 32 VAL HA H 32 4.450 4.237 0.213 1
1 386 . 6 1 1 A 32 32 VAL C C 32 175.700 175.590 0.110 1
1 387 . 6 1 1 A 32 32 VAL CA C 32 60.600 62.467 -1.867 1
1 388 . 6 1 1 A 32 32 VAL CB C 32 31.200 31.745 -0.545 1
1 391 . 6 1 1 A 32 32 VAL N N 32 105.600 115.418 -9.818 1
1 392 . 6 1 1 A 33 33 ASP H H 33 7.800 8.158 -0.358 1
1 393 . 6 1 1 A 33 33 ASP HA H 33 4.910 5.033 -0.123 1
1 396 . 6 1 1 A 33 33 ASP C C 33 174.900 174.445 0.455 1
1 397 . 6 1 1 A 33 33 ASP CA C 33 55.100 53.197 1.903 1
1 398 . 6 1 1 A 33 33 ASP CB C 33 43.900 43.375 0.525 1
1 399 . 6 1 1 A 33 33 ASP N N 33 122.100 120.437 1.663 1
1 400 . 6 1 1 A 34 34 ASP H H 34 8.810 8.646 0.164 1
1 401 . 6 1 1 A 34 34 ASP HA H 34 5.060 5.385 -0.325 1
1 404 . 6 1 1 A 34 34 ASP C C 34 176.500 174.989 1.511 1
1 405 . 6 1 1 A 34 34 ASP CA C 34 53.700 53.075 0.625 1
1 406 . 6 1 1 A 34 34 ASP CB C 34 41.600 42.264 -0.664 1
1 407 . 6 1 1 A 34 34 ASP N N 34 121.800 120.448 1.352 1
1 408 . 6 1 1 A 35 35 TYR H H 35 8.570 8.784 -0.214 1
1 409 . 6 1 1 A 35 35 TYR HA H 35 5.220 5.692 -0.472 1
1 416 . 6 1 1 A 35 35 TYR C C 35 171.800 173.671 -1.871 1
1 417 . 6 1 1 A 35 35 TYR CA C 35 56.300 55.675 0.625 1
1 418 . 6 1 1 A 35 35 TYR CB C 35 40.700 42.392 -1.692 1
1 423 . 6 1 1 A 35 35 TYR N N 35 117.900 120.080 -2.180 1
1 424 . 6 1 1 A 36 36 VAL H H 36 9.340 9.007 0.333 1
1 425 . 6 1 1 A 36 36 VAL HA H 36 4.660 4.762 -0.102 1
1 433 . 6 1 1 A 36 36 VAL C C 36 173.300 174.830 -1.530 1
1 434 . 6 1 1 A 36 36 VAL CA C 36 59.300 60.684 -1.384 1
1 435 . 6 1 1 A 36 36 VAL CB C 36 35.100 34.682 0.418 1
1 438 . 6 1 1 A 36 36 VAL N N 36 120.700 120.876 -0.176 1
1 439 . 6 1 1 A 37 37 ILE H H 37 8.820 9.058 -0.238 1
1 440 . 6 1 1 A 37 37 ILE HA H 37 4.820 4.936 -0.116 1
1 450 . 6 1 1 A 37 37 ILE C C 37 175.500 174.017 1.483 1
1 451 . 6 1 1 A 37 37 ILE CA C 37 59.700 60.211 -0.511 1
1 452 . 6 1 1 A 37 37 ILE CB C 37 40.600 38.967 1.633 1
1 456 . 6 1 1 A 37 37 ILE N N 37 124.100 127.584 -3.484 1
1 457 . 6 1 1 A 38 38 ASP H H 38 8.280 9.050 -0.770 1
1 458 . 6 1 1 A 38 38 ASP HA H 38 4.430 5.217 -0.787 1
1 461 . 6 1 1 A 38 38 ASP C C 38 177.000 176.762 0.238 1
1 462 . 6 1 1 A 38 38 ASP CA C 38 51.400 53.197 -1.797 1
1 463 . 6 1 1 A 38 38 ASP CB C 38 41.200 41.639 -0.439 1
1 464 . 6 1 1 A 38 38 ASP N N 38 126.600 127.695 -1.095 1
1 465 . 6 1 1 A 39 39 GLY H H 39 8.910 8.967 -0.057 1
1 466 . 6 1 1 A 39 39 GLY HA2 H 39 3.640 4.072 -0.432 1
1 467 . 6 1 1 A 39 39 GLY HA3 H 39 3.850 4.161 -0.311 1
1 468 . 6 1 1 A 39 39 GLY C C 39 174.500 174.103 0.397 1
1 469 . 6 1 1 A 39 39 GLY CA C 39 47.600 45.745 1.855 1
1 470 . 6 1 1 A 39 39 GLY N N 39 114.900 114.609 0.291 1
1 471 . 6 1 1 A 40 40 GLY H H 40 8.220 8.508 -0.288 1
1 472 . 6 1 1 A 40 40 GLY HA2 H 40 3.900 4.127 -0.227 1
1 473 . 6 1 1 A 40 40 GLY HA3 H 40 3.900 4.134 -0.234 1
1 474 . 6 1 1 A 40 40 GLY C C 40 173.900 174.200 -0.300 1
1 475 . 6 1 1 A 40 40 GLY CA C 40 45.000 45.536 -0.536 1
1 476 . 6 1 1 A 40 40 GLY N N 40 112.200 107.359 4.841 1
1 477 . 6 1 1 A 41 41 GLU H H 41 7.770 7.637 0.133 1
1 478 . 6 1 1 A 41 41 GLU HA H 41 4.750 4.454 0.296 1
1 483 . 6 1 1 A 41 41 GLU C C 41 174.800 175.813 -1.013 1
1 484 . 6 1 1 A 41 41 GLU CA C 41 54.300 56.452 -2.152 1
1 485 . 6 1 1 A 41 41 GLU CB C 41 30.300 30.608 -0.308 1
1 487 . 6 1 1 A 41 41 GLU N N 41 120.200 120.640 -0.440 1
1 488 . 6 1 1 A 42 42 ILE H H 42 8.720 8.562 0.158 1
1 489 . 6 1 1 A 42 42 ILE HA H 42 4.780 4.731 0.049 1
1 499 . 6 1 1 A 42 42 ILE C C 42 174.800 175.201 -0.401 1
1 500 . 6 1 1 A 42 42 ILE CA C 42 59.200 60.615 -1.415 1
1 501 . 6 1 1 A 42 42 ILE CB C 42 40.300 38.581 1.719 1
1 505 . 6 1 1 A 42 42 ILE N N 42 122.000 124.855 -2.855 1
1 506 . 6 1 1 A 43 43 ILE H H 43 9.230 8.777 0.453 1
1 507 . 6 1 1 A 43 43 ILE HA H 43 4.480 4.596 -0.116 1
1 517 . 6 1 1 A 43 43 ILE C C 43 176.400 175.598 0.802 1
1 518 . 6 1 1 A 43 43 ILE CA C 43 61.000 60.050 0.950 1
1 519 . 6 1 1 A 43 43 ILE CB C 43 42.300 42.049 0.251 1
1 523 . 6 1 1 A 43 43 ILE N N 43 126.400 127.060 -0.660 1
1 524 . 6 1 1 A 44 44 LEU H H 44 10.930 8.516 2.414 1
1 525 . 6 1 1 A 44 44 LEU HA H 44 4.280 4.491 -0.211 1
1 535 . 6 1 1 A 44 44 LEU C C 44 179.300 178.273 1.027 1
1 536 . 6 1 1 A 44 44 LEU CA C 44 56.500 55.307 1.193 1
1 537 . 6 1 1 A 44 44 LEU CB C 44 42.600 42.400 0.200 1
1 541 . 6 1 1 A 44 44 LEU N N 44 130.900 126.933 3.967 1
1 542 . 6 1 1 A 45 45 ARG H H 45 8.610 8.732 -0.122 1
1 543 . 6 1 1 A 45 45 ARG HA H 45 3.890 4.163 -0.273 1
1 551 . 6 1 1 A 45 45 ARG C C 45 179.300 178.232 1.068 1
1 552 . 6 1 1 A 45 45 ARG CA C 45 60.200 58.697 1.503 1
1 553 . 6 1 1 A 45 45 ARG CB C 45 29.400 30.003 -0.603 1
1 556 . 6 1 1 A 45 45 ARG N N 45 125.400 122.751 2.649 1
1 558 . 6 1 1 A 46 46 GLU H H 46 9.020 7.993 1.027 1
1 559 . 6 1 1 A 46 46 GLU HA H 46 4.210 4.149 0.061 1
1 564 . 6 1 1 A 46 46 GLU C C 46 176.700 177.637 -0.937 1
1 565 . 6 1 1 A 46 46 GLU CA C 46 59.000 58.593 0.407 1
1 566 . 6 1 1 A 46 46 GLU CB C 46 29.600 30.015 -0.415 1
1 568 . 6 1 1 A 46 46 GLU N N 46 117.500 118.656 -1.156 1
1 569 . 6 1 1 A 47 47 ASN H H 47 7.870 7.566 0.304 1
1 570 . 6 1 1 A 47 47 ASN HA H 47 5.100 5.026 0.074 1
1 573 . 6 1 1 A 47 47 ASN C C 47 175.200 175.992 -0.792 1
1 574 . 6 1 1 A 47 47 ASN CA C 47 52.800 53.051 -0.251 1
1 575 . 6 1 1 A 47 47 ASN CB C 47 40.500 39.752 0.748 1
1 576 . 6 1 1 A 47 47 ASN N N 47 115.900 114.294 1.606 1
1 577 . 6 1 1 A 48 48 LEU H H 48 7.760 7.422 0.338 1
1 578 . 6 1 1 A 48 48 LEU HA H 48 4.060 4.064 -0.004 1
1 588 . 6 1 1 A 48 48 LEU C C 48 177.200 178.592 -1.392 1
1 589 . 6 1 1 A 48 48 LEU CA C 48 59.000 58.710 0.290 1
1 590 . 6 1 1 A 48 48 LEU CB C 48 42.800 41.451 1.349 1
1 594 . 6 1 1 A 48 48 LEU N N 48 122.300 121.735 0.565 1
1 595 . 6 1 1 A 49 49 GLU H H 49 8.770 8.158 0.612 1
1 596 . 6 1 1 A 49 49 GLU HA H 49 3.670 3.959 -0.289 1
1 601 . 6 1 1 A 49 49 GLU C C 49 176.200 179.229 -3.029 1
1 602 . 6 1 1 A 49 49 GLU CA C 49 61.300 59.734 1.566 1
1 603 . 6 1 1 A 49 49 GLU CB C 49 28.200 29.245 -1.045 1
1 605 . 6 1 1 A 49 49 GLU N N 49 118.800 118.224 0.576 1
1 606 . 6 1 1 A 50 50 ARG H H 50 8.000 8.092 -0.092 1
1 607 . 6 1 1 A 50 50 ARG HA H 50 3.860 4.070 -0.210 1
1 615 . 6 1 1 A 50 50 ARG C C 50 174.100 178.574 -4.474 1
1 616 . 6 1 1 A 50 50 ARG CA C 50 60.100 58.886 1.214 1
1 617 . 6 1 1 A 50 50 ARG CB C 50 29.900 29.975 -0.075 1
1 620 . 6 1 1 A 50 50 ARG N N 50 119.100 120.624 -1.524 1
1 622 . 6 1 1 A 51 51 TYR H H 51 8.250 7.874 0.376 1
1 623 . 6 1 1 A 51 51 TYR HA H 51 4.610 4.158 0.452 1
1 630 . 6 1 1 A 51 51 TYR C C 51 178.500 177.257 1.243 1
1 631 . 6 1 1 A 51 51 TYR CA C 51 61.700 61.253 0.447 1
1 632 . 6 1 1 A 51 51 TYR CB C 51 40.000 38.669 1.331 1
1 637 . 6 1 1 A 51 51 TYR N N 51 120.400 121.188 -0.788 1
1 638 . 6 1 1 A 52 52 LEU H H 52 9.030 9.017 0.013 1
1 639 . 6 1 1 A 52 52 LEU HA H 52 3.690 3.857 -0.167 1
1 649 . 6 1 1 A 52 52 LEU C C 52 180.000 178.862 1.138 1
1 650 . 6 1 1 A 52 52 LEU CA C 52 57.600 57.817 -0.217 1
1 651 . 6 1 1 A 52 52 LEU CB C 52 40.800 41.360 -0.560 1
1 655 . 6 1 1 A 52 52 LEU N N 52 118.300 119.612 -1.312 1
1 656 . 6 1 1 A 53 53 ARG H H 53 8.530 8.092 0.438 1
1 657 . 6 1 1 A 53 53 ARG HA H 53 4.820 3.887 0.933 1
1 665 . 6 1 1 A 53 53 ARG C C 53 179.100 178.261 0.839 1
1 666 . 6 1 1 A 53 53 ARG CA C 53 59.300 59.547 -0.247 1
1 667 . 6 1 1 A 53 53 ARG CB C 53 31.900 29.749 2.151 1
1 670 . 6 1 1 A 53 53 ARG N N 53 119.400 119.568 -0.168 1
1 672 . 6 1 1 A 54 54 GLU H H 54 9.090 7.661 1.429 1
1 673 . 6 1 1 A 54 54 GLU HA H 54 4.100 4.034 0.066 1
1 678 . 6 1 1 A 54 54 GLU C C 54 178.700 178.600 0.100 1
1 679 . 6 1 1 A 54 54 GLU CA C 54 59.300 58.598 0.702 1
1 680 . 6 1 1 A 54 54 GLU CB C 54 31.000 30.009 0.991 1
1 682 . 6 1 1 A 54 54 GLU N N 54 116.700 118.565 -1.865 1
1 683 . 6 1 1 A 55 55 GLN H H 55 8.760 7.751 1.009 1
1 684 . 6 1 1 A 55 55 GLN HA H 55 4.290 3.971 0.319 1
1 691 . 6 1 1 A 55 55 GLN C C 55 177.700 175.466 2.234 1
1 692 . 6 1 1 A 55 55 GLN CA C 55 55.800 57.943 -2.143 1
1 693 . 6 1 1 A 55 55 GLN CB C 55 28.000 28.794 -0.794 1
1 695 . 6 1 1 A 55 55 GLN N N 55 113.900 119.766 -5.866 1
1 697 . 6 1 1 A 56 56 LEU H H 56 6.650 7.775 -1.125 1
1 698 . 6 1 1 A 56 56 LEU HA H 56 4.700 3.682 1.018 1
1 708 . 6 1 1 A 56 56 LEU C C 56 178.000 176.063 1.937 1
1 709 . 6 1 1 A 56 56 LEU CA C 56 55.300 56.105 -0.805 1
1 710 . 6 1 1 A 56 56 LEU CB C 56 43.800 39.763 4.037 1
1 714 . 6 1 1 A 56 56 LEU N N 56 116.200 120.534 -4.334 1
1 715 . 6 1 1 A 57 57 GLY H H 57 7.160 8.003 -0.843 1
1 716 . 6 1 1 A 57 57 GLY HA2 H 57 4.070 3.592 0.478 1
1 717 . 6 1 1 A 57 57 GLY HA3 H 57 4.070 3.814 0.256 1
1 718 . 6 1 1 A 57 57 GLY C C 57 175.000 174.392 0.608 1
1 719 . 6 1 1 A 57 57 GLY CA C 57 46.900 44.831 2.069 1
1 720 . 6 1 1 A 57 57 GLY N N 57 109.000 104.758 4.242 1
1 721 . 6 1 1 A 58 58 PHE H H 58 8.480 7.853 0.627 1
1 722 . 6 1 1 A 58 58 PHE HA H 58 4.690 4.449 0.241 1
1 730 . 6 1 1 A 58 58 PHE C C 58 175.700 174.937 0.763 1
1 731 . 6 1 1 A 58 58 PHE CA C 58 57.900 60.161 -2.261 1
1 732 . 6 1 1 A 58 58 PHE CB C 58 39.500 37.656 1.844 1
1 738 . 6 1 1 A 58 58 PHE N N 58 123.100 116.113 6.987 1
1 739 . 6 1 1 A 59 59 GLU H H 59 8.440 8.863 -0.423 1
1 740 . 6 1 1 A 59 59 GLU HA H 59 4.820 4.819 0.001 1
1 745 . 6 1 1 A 59 59 GLU C C 59 174.700 175.147 -0.447 1
1 746 . 6 1 1 A 59 59 GLU CA C 59 54.600 54.916 -0.316 1
1 747 . 6 1 1 A 59 59 GLU CB C 59 32.800 30.694 2.106 1
1 749 . 6 1 1 A 59 59 GLU N N 59 118.600 124.117 -5.517 1
1 750 . 6 1 1 A 60 60 PHE H H 60 9.110 9.317 -0.207 1
1 751 . 6 1 1 A 60 60 PHE HA H 60 4.470 5.140 -0.670 1
1 759 . 6 1 1 A 60 60 PHE C C 60 175.100 175.258 -0.158 1
1 760 . 6 1 1 A 60 60 PHE CA C 60 58.100 57.450 0.650 1
1 761 . 6 1 1 A 60 60 PHE CB C 60 39.900 40.477 -0.577 1
1 767 . 6 1 1 A 60 60 PHE N N 60 124.300 126.956 -2.656 1
1 768 . 6 1 1 A 61 61 LYS H H 61 8.510 8.644 -0.134 1
1 769 . 6 1 1 A 61 61 LYS HA H 61 4.360 5.074 -0.714 1
1 778 . 6 1 1 A 61 61 LYS C C 61 174.700 175.034 -0.334 1
1 779 . 6 1 1 A 61 61 LYS CA C 61 53.800 54.780 -0.980 1
1 780 . 6 1 1 A 61 61 LYS CB C 61 31.300 35.911 -4.611 1
1 784 . 6 1 1 A 61 61 LYS N N 61 124.900 123.373 1.527 1
1 785 . 6 1 1 A 62 62 ASN H H 62 8.400 8.659 -0.259 1
1 786 . 6 1 1 A 62 62 ASN HA H 62 4.910 5.079 -0.169 1
1 789 . 6 1 1 A 62 62 ASN C C 62 175.500 175.330 0.170 1
1 790 . 6 1 1 A 62 62 ASN CA C 62 52.400 51.914 0.486 1
1 791 . 6 1 1 A 62 62 ASN CB C 62 39.400 42.742 -3.342 1
1 792 . 6 1 1 A 62 62 ASN N N 62 121.800 119.073 2.727 1
1 793 . 6 1 1 A 63 63 ALA H H 63 8.960 8.384 0.576 1
1 794 . 6 1 1 A 63 63 ALA HA H 63 4.170 4.032 0.138 1
1 798 . 6 1 1 A 63 63 ALA C C 63 178.200 177.409 0.791 1
1 799 . 6 1 1 A 63 63 ALA CA C 63 53.300 53.258 0.042 1
1 800 . 6 1 1 A 63 63 ALA CB C 63 19.300 19.535 -0.235 1
1 801 . 6 1 1 A 63 63 ALA N N 63 126.200 124.099 2.101 1
1 802 . 6 1 1 A 64 64 GLN H H 64 8.570 7.798 0.772 1
1 803 . 6 1 1 A 64 64 GLN HA H 64 4.280 4.081 0.199 1
1 810 . 6 1 1 A 64 64 GLN C C 64 176.200 175.799 0.401 1
1 811 . 6 1 1 A 64 64 GLN CA C 64 56.300 56.899 -0.599 1
1 812 . 6 1 1 A 64 64 GLN CB C 64 29.400 26.463 2.937 1
1 814 . 6 1 1 A 64 64 GLN N N 64 119.900 114.394 5.506 1
1 816 . 6 1 1 A 65 65 LEU H H 65 8.080 7.886 0.194 1
1 817 . 6 1 1 A 65 65 LEU HA H 65 4.320 4.423 -0.103 1
1 827 . 6 1 1 A 65 65 LEU C C 65 177.200 176.539 0.661 1
1 828 . 6 1 1 A 65 65 LEU CA C 65 55.300 55.923 -0.623 1
1 829 . 6 1 1 A 65 65 LEU CB C 65 42.700 42.879 -0.179 1
1 833 . 6 1 1 A 65 65 LEU N N 65 121.700 119.909 1.791 1
1 834 . 6 1 1 A 66 66 GLU H H 66 8.290 8.194 0.096 1
1 835 . 6 1 1 A 66 66 GLU HA H 66 4.190 4.011 0.179 1
1 840 . 6 1 1 A 66 66 GLU C C 66 176.300 176.007 0.293 1
1 841 . 6 1 1 A 66 66 GLU CA C 66 56.800 57.920 -1.120 1
1 842 . 6 1 1 A 66 66 GLU CB C 66 30.400 29.290 1.110 1
1 844 . 6 1 1 A 66 66 GLU N N 66 120.400 119.579 0.821 1
1 845 . 6 1 1 A 67 67 HIS H H 67 8.280 8.030 0.250 1
1 846 . 6 1 1 A 67 67 HIS HA H 67 4.620 4.554 0.066 1
1 850 . 6 1 1 A 67 67 HIS C C 67 173.900 174.217 -0.317 1
1 851 . 6 1 1 A 67 67 HIS CA C 67 55.900 54.651 1.249 1
1 852 . 6 1 1 A 67 67 HIS CB C 67 30.100 29.637 0.463 1
1 854 . 6 1 1 A 67 67 HIS N N 67 119.300 120.101 -0.801 1
1 855 . 6 1 1 A 68 68 HIS H H 68 8.180 8.269 -0.089 1
1 856 . 6 1 1 A 68 68 HIS HA H 68 4.440 4.580 -0.140 1
1 859 . 6 1 1 A 68 68 HIS CA C 68 57.300 56.284 1.016 1
1 860 . 6 1 1 A 68 68 HIS CB C 68 30.200 30.063 0.137 1
1 861 . 6 1 1 A 68 68 HIS N N 68 125.300 124.131 1.169 1
1 2 . 7 1 1 A 2 2 VAL H H 2 8.100 8.493 -0.393 1
1 3 . 7 1 1 A 2 2 VAL HA H 2 4.090 4.409 -0.319 1
1 5 . 7 1 1 A 2 2 VAL C C 2 176.500 175.526 0.974 1
1 6 . 7 1 1 A 2 2 VAL CA C 2 62.300 61.328 0.972 1
1 7 . 7 1 1 A 2 2 VAL CB C 2 32.700 33.536 -0.836 1
1 8 . 7 1 1 A 2 2 VAL N N 2 124.800 116.711 8.089 1
1 9 . 7 1 1 A 3 3 GLU H H 3 8.500 8.735 -0.235 1
1 10 . 7 1 1 A 3 3 GLU HA H 3 4.280 3.993 0.287 1
1 15 . 7 1 1 A 3 3 GLU C C 3 175.900 175.642 0.258 1
1 16 . 7 1 1 A 3 3 GLU CA C 3 56.500 57.040 -0.540 1
1 17 . 7 1 1 A 3 3 GLU CB C 3 30.400 28.497 1.903 1
1 19 . 7 1 1 A 3 3 GLU N N 3 124.200 119.970 4.230 1
1 20 . 7 1 1 A 4 4 ASN H H 4 8.500 8.253 0.247 1
1 21 . 7 1 1 A 4 4 ASN HA H 4 4.970 5.287 -0.317 1
1 26 . 7 1 1 A 4 4 ASN CA C 4 51.200 50.757 0.443 1
1 27 . 7 1 1 A 4 4 ASN CB C 4 39.000 38.696 0.304 1
1 28 . 7 1 1 A 4 4 ASN N N 4 120.700 119.441 1.259 1
1 30 . 7 1 1 A 5 5 PRO HA H 5 4.390 4.590 -0.200 1
1 37 . 7 1 1 A 5 5 PRO C C 5 176.800 176.175 0.625 1
1 38 . 7 1 1 A 5 5 PRO CA C 5 63.500 63.799 -0.299 1
1 39 . 7 1 1 A 5 5 PRO CB C 5 32.200 32.864 -0.664 1
1 42 . 7 1 1 A 6 6 MET H H 6 8.300 8.348 -0.048 1
1 43 . 7 1 1 A 6 6 MET HA H 6 4.400 4.712 -0.312 1
1 51 . 7 1 1 A 6 6 MET C C 6 176.200 176.406 -0.206 1
1 52 . 7 1 1 A 6 6 MET CA C 6 55.800 54.205 1.595 1
1 53 . 7 1 1 A 6 6 MET CB C 6 32.600 32.000 0.600 1
1 56 . 7 1 1 A 6 6 MET N N 6 119.400 120.098 -0.698 1
1 57 . 7 1 1 A 7 7 VAL H H 7 7.980 8.570 -0.590 1
1 58 . 7 1 1 A 7 7 VAL HA H 7 4.080 4.413 -0.333 1
1 66 . 7 1 1 A 7 7 VAL C C 7 175.800 175.678 0.122 1
1 67 . 7 1 1 A 7 7 VAL CA C 7 62.400 61.684 0.716 1
1 68 . 7 1 1 A 7 7 VAL CB C 7 32.800 32.279 0.521 1
1 71 . 7 1 1 A 7 7 VAL N N 7 121.500 118.586 2.914 1
1 72 . 7 1 1 A 8 8 ILE H H 8 8.140 7.504 0.636 1
1 73 . 7 1 1 A 8 8 ILE HA H 8 4.120 4.225 -0.105 1
1 83 . 7 1 1 A 8 8 ILE C C 8 175.800 176.521 -0.721 1
1 84 . 7 1 1 A 8 8 ILE CA C 8 60.900 61.043 -0.143 1
1 85 . 7 1 1 A 8 8 ILE CB C 8 38.600 38.330 0.270 1
1 89 . 7 1 1 A 8 8 ILE N N 8 124.500 125.583 -1.083 1
1 90 . 7 1 1 A 9 9 ASN H H 9 8.450 9.039 -0.589 1
1 91 . 7 1 1 A 9 9 ASN HA H 9 4.630 4.219 0.411 1
1 96 . 7 1 1 A 9 9 ASN C C 9 174.700 174.488 0.212 1
1 97 . 7 1 1 A 9 9 ASN CA C 9 53.200 53.856 -0.656 1
1 98 . 7 1 1 A 9 9 ASN CB C 9 39.000 36.927 2.073 1
1 99 . 7 1 1 A 9 9 ASN N N 9 122.700 124.736 -2.036 1
1 101 . 7 1 1 A 10 10 ASN H H 10 8.320 8.108 0.212 1
1 102 . 7 1 1 A 10 10 ASN HA H 10 4.680 5.260 -0.580 1
1 107 . 7 1 1 A 10 10 ASN C C 10 175.000 174.866 0.134 1
1 108 . 7 1 1 A 10 10 ASN CA C 10 53.100 51.806 1.294 1
1 109 . 7 1 1 A 10 10 ASN CB C 10 38.700 39.616 -0.916 1
1 110 . 7 1 1 A 10 10 ASN N N 10 119.600 114.570 5.030 1
1 112 . 7 1 1 A 11 11 TRP H H 11 8.060 8.706 -0.646 1
1 113 . 7 1 1 A 11 11 TRP HA H 11 4.550 4.553 -0.003 1
1 122 . 7 1 1 A 11 11 TRP C C 11 176.200 176.566 -0.366 1
1 123 . 7 1 1 A 11 11 TRP CA C 11 57.800 59.169 -1.369 1
1 124 . 7 1 1 A 11 11 TRP CB C 11 29.300 30.186 -0.886 1
1 130 . 7 1 1 A 11 11 TRP N N 11 121.200 124.125 -2.925 1
1 132 . 7 1 1 A 12 12 HIS H H 12 7.980 8.266 -0.286 1
1 133 . 7 1 1 A 12 12 HIS HA H 12 4.410 4.233 0.177 1
1 137 . 7 1 1 A 12 12 HIS C C 12 174.400 175.186 -0.786 1
1 138 . 7 1 1 A 12 12 HIS CA C 12 56.200 56.762 -0.562 1
1 139 . 7 1 1 A 12 12 HIS CB C 12 29.600 27.977 1.623 1
1 141 . 7 1 1 A 12 12 HIS N N 12 119.900 118.255 1.645 1
1 142 . 7 1 1 A 13 13 ASP H H 13 8.130 7.841 0.289 1
1 143 . 7 1 1 A 13 13 ASP HA H 13 4.470 4.590 -0.120 1
1 146 . 7 1 1 A 13 13 ASP C C 13 176.100 176.285 -0.185 1
1 147 . 7 1 1 A 13 13 ASP CA C 13 54.700 54.467 0.233 1
1 148 . 7 1 1 A 13 13 ASP CB C 13 41.100 41.119 -0.019 1
1 149 . 7 1 1 A 13 13 ASP N N 13 120.600 119.967 0.633 1
1 150 . 7 1 1 A 14 14 LYS H H 14 8.150 8.495 -0.345 1
1 151 . 7 1 1 A 14 14 LYS HA H 14 4.270 4.538 -0.268 1
1 160 . 7 1 1 A 14 14 LYS C C 14 176.600 176.959 -0.359 1
1 161 . 7 1 1 A 14 14 LYS CA C 14 56.500 55.365 1.135 1
1 162 . 7 1 1 A 14 14 LYS CB C 14 32.900 32.339 0.561 1
1 166 . 7 1 1 A 14 14 LYS N N 14 120.900 125.651 -4.751 1
1 167 . 7 1 1 A 15 15 LEU H H 15 8.220 7.636 0.584 1
1 168 . 7 1 1 A 15 15 LEU HA H 15 4.360 4.210 0.150 1
1 178 . 7 1 1 A 15 15 LEU C C 15 177.600 176.430 1.170 1
1 179 . 7 1 1 A 15 15 LEU CA C 15 55.600 56.754 -1.154 1
1 180 . 7 1 1 A 15 15 LEU CB C 15 42.200 42.959 -0.759 1
1 184 . 7 1 1 A 15 15 LEU N N 15 122.500 121.710 0.790 1
1 185 . 7 1 1 A 16 16 THR H H 16 8.090 7.738 0.352 1
1 186 . 7 1 1 A 16 16 THR HA H 16 4.340 4.051 0.289 1
1 191 . 7 1 1 A 16 16 THR C C 16 174.700 173.293 1.407 1
1 192 . 7 1 1 A 16 16 THR CA C 16 61.700 64.797 -3.097 1
1 193 . 7 1 1 A 16 16 THR CB C 16 70.000 67.389 2.611 1
1 195 . 7 1 1 A 16 16 THR N N 16 113.800 112.643 1.157 1
1 196 . 7 1 1 A 17 17 GLU H H 17 8.400 8.164 0.236 1
1 197 . 7 1 1 A 17 17 GLU HA H 17 4.330 4.803 -0.473 1
1 202 . 7 1 1 A 17 17 GLU C C 17 176.500 175.966 0.534 1
1 203 . 7 1 1 A 17 17 GLU CA C 17 56.900 54.230 2.670 1
1 204 . 7 1 1 A 17 17 GLU CB C 17 30.200 33.118 -2.918 1
1 206 . 7 1 1 A 17 17 GLU N N 17 122.700 120.168 2.532 1
1 207 . 7 1 1 A 18 18 THR H H 18 8.040 8.344 -0.304 1
1 208 . 7 1 1 A 18 18 THR HA H 18 4.350 4.420 -0.070 1
1 213 . 7 1 1 A 18 18 THR C C 18 174.000 174.638 -0.638 1
1 214 . 7 1 1 A 18 18 THR CA C 18 61.700 64.079 -2.379 1
1 215 . 7 1 1 A 18 18 THR CB C 18 69.800 69.789 0.011 1
1 217 . 7 1 1 A 18 18 THR N N 18 113.600 114.374 -0.774 1
1 218 . 7 1 1 A 19 19 ASP H H 19 8.290 7.765 0.525 1
1 219 . 7 1 1 A 19 19 ASP HA H 19 4.640 4.691 -0.051 1
1 222 . 7 1 1 A 19 19 ASP C C 19 175.500 174.414 1.086 1
1 223 . 7 1 1 A 19 19 ASP CA C 19 54.500 53.731 0.769 1
1 224 . 7 1 1 A 19 19 ASP CB C 19 41.200 40.640 0.560 1
1 225 . 7 1 1 A 19 19 ASP N N 19 122.900 120.532 2.368 1
1 226 . 7 1 1 A 20 20 VAL H H 20 7.900 8.895 -0.995 1
1 227 . 7 1 1 A 20 20 VAL HA H 20 4.200 4.948 -0.748 1
1 235 . 7 1 1 A 20 20 VAL C C 20 175.400 174.773 0.627 1
1 236 . 7 1 1 A 20 20 VAL CA C 20 61.900 61.028 0.872 1
1 237 . 7 1 1 A 20 20 VAL CB C 20 33.500 34.342 -0.842 1
1 240 . 7 1 1 A 20 20 VAL N N 20 119.900 126.283 -6.383 1
1 241 . 7 1 1 A 21 21 GLN H H 21 8.490 8.508 -0.018 1
1 242 . 7 1 1 A 21 21 GLN HA H 21 4.510 5.106 -0.596 1
1 249 . 7 1 1 A 21 21 GLN C C 21 173.800 174.054 -0.254 1
1 250 . 7 1 1 A 21 21 GLN CA C 21 54.700 53.194 1.506 1
1 251 . 7 1 1 A 21 21 GLN CB C 21 31.600 32.803 -1.203 1
1 253 . 7 1 1 A 21 21 GLN N N 21 124.800 123.575 1.225 1
1 255 . 7 1 1 A 22 22 ILE H H 22 8.070 8.651 -0.581 1
1 256 . 7 1 1 A 22 22 ILE HA H 22 4.820 4.623 0.197 1
1 266 . 7 1 1 A 22 22 ILE C C 22 175.500 175.486 0.014 1
1 267 . 7 1 1 A 22 22 ILE CA C 22 58.700 59.273 -0.573 1
1 268 . 7 1 1 A 22 22 ILE CB C 22 39.800 41.740 -1.940 1
1 272 . 7 1 1 A 22 22 ILE N N 22 120.500 120.330 0.170 1
1 273 . 7 1 1 A 23 23 ASP H H 23 9.340 8.620 0.720 1
1 274 . 7 1 1 A 23 23 ASP HA H 23 4.570 4.941 -0.371 1
1 277 . 7 1 1 A 23 23 ASP C C 23 178.600 176.310 2.290 1
1 278 . 7 1 1 A 23 23 ASP CA C 23 51.700 52.707 -1.007 1
1 279 . 7 1 1 A 23 23 ASP CB C 23 42.900 41.492 1.408 1
1 280 . 7 1 1 A 23 23 ASP N N 23 128.000 124.832 3.168 1
1 281 . 7 1 1 A 24 24 PHE H H 24 8.860 8.627 0.233 1
1 282 . 7 1 1 A 24 24 PHE HA H 24 3.960 4.086 -0.126 1
1 290 . 7 1 1 A 24 24 PHE C C 24 175.800 177.573 -1.773 1
1 291 . 7 1 1 A 24 24 PHE CA C 24 61.600 61.727 -0.127 1
1 292 . 7 1 1 A 24 24 PHE CB C 24 41.800 38.961 2.839 1
1 298 . 7 1 1 A 24 24 PHE N N 24 118.500 119.292 -0.792 1
1 299 . 7 1 1 A 25 25 TYR H H 25 8.340 8.229 0.111 1
1 300 . 7 1 1 A 25 25 TYR HA H 25 4.400 4.460 -0.060 1
1 307 . 7 1 1 A 25 25 TYR C C 25 175.700 175.979 -0.279 1
1 308 . 7 1 1 A 25 25 TYR CA C 25 59.200 58.376 0.824 1
1 309 . 7 1 1 A 25 25 TYR CB C 25 38.700 38.563 0.137 1
1 314 . 7 1 1 A 25 25 TYR N N 25 114.500 114.827 -0.327 1
1 315 . 7 1 1 A 26 26 GLY H H 26 8.460 7.857 0.603 1
1 316 . 7 1 1 A 26 26 GLY HA2 H 26 4.230 3.957 0.273 1
1 317 . 7 1 1 A 26 26 GLY HA3 H 26 3.500 3.963 -0.463 1
1 318 . 7 1 1 A 26 26 GLY C C 26 174.700 174.602 0.098 1
1 319 . 7 1 1 A 26 26 GLY CA C 26 45.200 46.248 -1.048 1
1 320 . 7 1 1 A 26 26 GLY N N 26 109.700 108.586 1.114 1
1 321 . 7 1 1 A 27 27 ASP H H 27 8.400 7.812 0.588 1
1 322 . 7 1 1 A 27 27 ASP HA H 27 4.330 4.706 -0.376 1
1 325 . 7 1 1 A 27 27 ASP C C 27 175.700 175.653 0.047 1
1 326 . 7 1 1 A 27 27 ASP CA C 27 56.700 55.873 0.827 1
1 327 . 7 1 1 A 27 27 ASP CB C 27 30.300 41.134 -10.834 1
1 328 . 7 1 1 A 27 27 ASP N N 27 122.700 120.818 1.882 1
1 329 . 7 1 1 A 28 28 GLU H H 28 7.960 7.698 0.262 1
1 330 . 7 1 1 A 28 28 GLU HA H 28 4.280 4.581 -0.301 1
1 335 . 7 1 1 A 28 28 GLU C C 28 175.200 173.961 1.239 1
1 336 . 7 1 1 A 28 28 GLU CA C 28 57.400 56.321 1.079 1
1 337 . 7 1 1 A 28 28 GLU CB C 28 30.500 33.477 -2.977 1
1 339 . 7 1 1 A 28 28 GLU N N 28 126.100 117.361 8.739 1
1 340 . 7 1 1 A 29 29 VAL H H 29 8.550 8.889 -0.339 1
1 341 . 7 1 1 A 29 29 VAL HA H 29 4.180 4.713 -0.533 1
1 349 . 7 1 1 A 29 29 VAL C C 29 176.000 175.624 0.376 1
1 350 . 7 1 1 A 29 29 VAL CA C 29 61.500 61.156 0.344 1
1 351 . 7 1 1 A 29 29 VAL CB C 29 32.300 33.665 -1.365 1
1 354 . 7 1 1 A 29 29 VAL N N 29 123.500 125.791 -2.291 1
1 355 . 7 1 1 A 30 30 THR H H 30 9.720 9.028 0.692 1
1 356 . 7 1 1 A 30 30 THR HA H 30 5.010 4.947 0.063 1
1 361 . 7 1 1 A 30 30 THR CA C 30 60.800 58.919 1.881 1
1 362 . 7 1 1 A 30 30 THR CB C 30 68.700 69.737 -1.037 1
1 364 . 7 1 1 A 30 30 THR N N 30 122.300 118.761 3.539 1
1 365 . 7 1 1 A 31 31 PRO HA H 31 4.510 4.547 -0.037 1
1 372 . 7 1 1 A 31 31 PRO C C 31 176.400 177.016 -0.616 1
1 373 . 7 1 1 A 31 31 PRO CA C 31 65.200 64.163 1.037 1
1 374 . 7 1 1 A 31 31 PRO CB C 31 32.600 31.275 1.325 1
1 377 . 7 1 1 A 32 32 VAL H H 32 6.830 7.783 -0.953 1
1 378 . 7 1 1 A 32 32 VAL HA H 32 4.450 4.233 0.217 1
1 386 . 7 1 1 A 32 32 VAL C C 32 175.700 175.599 0.101 1
1 387 . 7 1 1 A 32 32 VAL CA C 32 60.600 62.543 -1.943 1
1 388 . 7 1 1 A 32 32 VAL CB C 32 31.200 32.134 -0.934 1
1 391 . 7 1 1 A 32 32 VAL N N 32 105.600 116.175 -10.575 1
1 392 . 7 1 1 A 33 33 ASP H H 33 7.800 8.329 -0.529 1
1 393 . 7 1 1 A 33 33 ASP HA H 33 4.910 4.965 -0.055 1
1 396 . 7 1 1 A 33 33 ASP C C 33 174.900 175.550 -0.650 1
1 397 . 7 1 1 A 33 33 ASP CA C 33 55.100 53.648 1.452 1
1 398 . 7 1 1 A 33 33 ASP CB C 33 43.900 41.983 1.917 1
1 399 . 7 1 1 A 33 33 ASP N N 33 122.100 120.673 1.427 1
1 400 . 7 1 1 A 34 34 ASP H H 34 8.810 8.588 0.222 1
1 401 . 7 1 1 A 34 34 ASP HA H 34 5.060 5.142 -0.082 1
1 404 . 7 1 1 A 34 34 ASP C C 34 176.500 175.133 1.367 1
1 405 . 7 1 1 A 34 34 ASP CA C 34 53.700 53.662 0.038 1
1 406 . 7 1 1 A 34 34 ASP CB C 34 41.600 41.800 -0.200 1
1 407 . 7 1 1 A 34 34 ASP N N 34 121.800 121.434 0.366 1
1 408 . 7 1 1 A 35 35 TYR H H 35 8.570 8.844 -0.274 1
1 409 . 7 1 1 A 35 35 TYR HA H 35 5.220 5.400 -0.180 1
1 416 . 7 1 1 A 35 35 TYR C C 35 171.800 173.108 -1.308 1
1 417 . 7 1 1 A 35 35 TYR CA C 35 56.300 55.710 0.590 1
1 418 . 7 1 1 A 35 35 TYR CB C 35 40.700 41.836 -1.136 1
1 423 . 7 1 1 A 35 35 TYR N N 35 117.900 120.286 -2.386 1
1 424 . 7 1 1 A 36 36 VAL H H 36 9.340 8.863 0.477 1
1 425 . 7 1 1 A 36 36 VAL HA H 36 4.660 4.643 0.017 1
1 433 . 7 1 1 A 36 36 VAL C C 36 173.300 174.613 -1.313 1
1 434 . 7 1 1 A 36 36 VAL CA C 36 59.300 60.458 -1.158 1
1 435 . 7 1 1 A 36 36 VAL CB C 36 35.100 36.086 -0.986 1
1 438 . 7 1 1 A 36 36 VAL N N 36 120.700 119.174 1.526 1
1 439 . 7 1 1 A 37 37 ILE H H 37 8.820 8.776 0.044 1
1 440 . 7 1 1 A 37 37 ILE HA H 37 4.820 5.119 -0.299 1
1 450 . 7 1 1 A 37 37 ILE C C 37 175.500 174.076 1.424 1
1 451 . 7 1 1 A 37 37 ILE CA C 37 59.700 60.047 -0.347 1
1 452 . 7 1 1 A 37 37 ILE CB C 37 40.600 38.563 2.037 1
1 456 . 7 1 1 A 37 37 ILE N N 37 124.100 127.448 -3.348 1
1 457 . 7 1 1 A 38 38 ASP H H 38 8.280 8.854 -0.574 1
1 458 . 7 1 1 A 38 38 ASP HA H 38 4.430 4.779 -0.349 1
1 461 . 7 1 1 A 38 38 ASP C C 38 177.000 176.573 0.427 1
1 462 . 7 1 1 A 38 38 ASP CA C 38 51.400 53.416 -2.016 1
1 463 . 7 1 1 A 38 38 ASP CB C 38 41.200 41.045 0.155 1
1 464 . 7 1 1 A 38 38 ASP N N 38 126.600 128.276 -1.676 1
1 465 . 7 1 1 A 39 39 GLY H H 39 8.910 8.335 0.575 1
1 466 . 7 1 1 A 39 39 GLY HA2 H 39 3.640 3.903 -0.263 1
1 467 . 7 1 1 A 39 39 GLY HA3 H 39 3.850 3.920 -0.070 1
1 468 . 7 1 1 A 39 39 GLY C C 39 174.500 174.194 0.306 1
1 469 . 7 1 1 A 39 39 GLY CA C 39 47.600 45.430 2.170 1
1 470 . 7 1 1 A 39 39 GLY N N 39 114.900 114.034 0.866 1
1 471 . 7 1 1 A 40 40 GLY H H 40 8.220 8.437 -0.217 1
1 472 . 7 1 1 A 40 40 GLY HA2 H 40 3.900 4.022 -0.122 1
1 473 . 7 1 1 A 40 40 GLY HA3 H 40 3.900 4.027 -0.127 1
1 474 . 7 1 1 A 40 40 GLY C C 40 173.900 174.691 -0.791 1
1 475 . 7 1 1 A 40 40 GLY CA C 40 45.000 45.496 -0.496 1
1 476 . 7 1 1 A 40 40 GLY N N 40 112.200 107.569 4.631 1
1 477 . 7 1 1 A 41 41 GLU H H 41 7.770 7.556 0.214 1
1 478 . 7 1 1 A 41 41 GLU HA H 41 4.750 4.477 0.273 1
1 483 . 7 1 1 A 41 41 GLU C C 41 174.800 175.662 -0.862 1
1 484 . 7 1 1 A 41 41 GLU CA C 41 54.300 56.295 -1.995 1
1 485 . 7 1 1 A 41 41 GLU CB C 41 30.300 31.135 -0.835 1
1 487 . 7 1 1 A 41 41 GLU N N 41 120.200 120.453 -0.253 1
1 488 . 7 1 1 A 42 42 ILE H H 42 8.720 8.491 0.229 1
1 489 . 7 1 1 A 42 42 ILE HA H 42 4.780 4.771 0.009 1
1 499 . 7 1 1 A 42 42 ILE C C 42 174.800 175.267 -0.467 1
1 500 . 7 1 1 A 42 42 ILE CA C 42 59.200 60.109 -0.909 1
1 501 . 7 1 1 A 42 42 ILE CB C 42 40.300 38.948 1.352 1
1 505 . 7 1 1 A 42 42 ILE N N 42 122.000 123.149 -1.149 1
1 506 . 7 1 1 A 43 43 ILE H H 43 9.230 8.790 0.440 1
1 507 . 7 1 1 A 43 43 ILE HA H 43 4.480 4.494 -0.014 1
1 517 . 7 1 1 A 43 43 ILE C C 43 176.400 175.450 0.950 1
1 518 . 7 1 1 A 43 43 ILE CA C 43 61.000 60.220 0.780 1
1 519 . 7 1 1 A 43 43 ILE CB C 43 42.300 41.251 1.049 1
1 523 . 7 1 1 A 43 43 ILE N N 43 126.400 127.541 -1.141 1
1 524 . 7 1 1 A 44 44 LEU H H 44 10.930 8.602 2.328 1
1 525 . 7 1 1 A 44 44 LEU HA H 44 4.280 4.359 -0.079 1
1 535 . 7 1 1 A 44 44 LEU C C 44 179.300 178.137 1.163 1
1 536 . 7 1 1 A 44 44 LEU CA C 44 56.500 55.511 0.989 1
1 537 . 7 1 1 A 44 44 LEU CB C 44 42.600 42.017 0.583 1
1 541 . 7 1 1 A 44 44 LEU N N 44 130.900 128.107 2.793 1
1 542 . 7 1 1 A 45 45 ARG H H 45 8.610 9.090 -0.480 1
1 543 . 7 1 1 A 45 45 ARG HA H 45 3.890 4.214 -0.324 1
1 551 . 7 1 1 A 45 45 ARG C C 45 179.300 177.360 1.940 1
1 552 . 7 1 1 A 45 45 ARG CA C 45 60.200 58.553 1.647 1
1 553 . 7 1 1 A 45 45 ARG CB C 45 29.400 29.941 -0.541 1
1 556 . 7 1 1 A 45 45 ARG N N 45 125.400 122.424 2.976 1
1 558 . 7 1 1 A 46 46 GLU H H 46 9.020 8.077 0.943 1
1 559 . 7 1 1 A 46 46 GLU HA H 46 4.210 4.140 0.070 1
1 564 . 7 1 1 A 46 46 GLU C C 46 176.700 176.814 -0.114 1
1 565 . 7 1 1 A 46 46 GLU CA C 46 59.000 58.182 0.818 1
1 566 . 7 1 1 A 46 46 GLU CB C 46 29.600 30.212 -0.612 1
1 568 . 7 1 1 A 46 46 GLU N N 46 117.500 118.580 -1.080 1
1 569 . 7 1 1 A 47 47 ASN H H 47 7.870 7.780 0.090 1
1 570 . 7 1 1 A 47 47 ASN HA H 47 5.100 5.013 0.087 1
1 573 . 7 1 1 A 47 47 ASN C C 47 175.200 176.563 -1.363 1
1 574 . 7 1 1 A 47 47 ASN CA C 47 52.800 52.368 0.432 1
1 575 . 7 1 1 A 47 47 ASN CB C 47 40.500 39.930 0.570 1
1 576 . 7 1 1 A 47 47 ASN N N 47 115.900 118.556 -2.656 1
1 577 . 7 1 1 A 48 48 LEU H H 48 7.760 7.433 0.327 1
1 578 . 7 1 1 A 48 48 LEU HA H 48 4.060 4.032 0.028 1
1 588 . 7 1 1 A 48 48 LEU C C 48 177.200 178.353 -1.153 1
1 589 . 7 1 1 A 48 48 LEU CA C 48 59.000 57.705 1.295 1
1 590 . 7 1 1 A 48 48 LEU CB C 48 42.800 41.758 1.042 1
1 594 . 7 1 1 A 48 48 LEU N N 48 122.300 120.677 1.623 1
1 595 . 7 1 1 A 49 49 GLU H H 49 8.770 8.359 0.411 1
1 596 . 7 1 1 A 49 49 GLU HA H 49 3.670 3.944 -0.274 1
1 601 . 7 1 1 A 49 49 GLU C C 49 176.200 178.841 -2.641 1
1 602 . 7 1 1 A 49 49 GLU CA C 49 61.300 59.872 1.428 1
1 603 . 7 1 1 A 49 49 GLU CB C 49 28.200 29.453 -1.253 1
1 605 . 7 1 1 A 49 49 GLU N N 49 118.800 118.922 -0.122 1
1 606 . 7 1 1 A 50 50 ARG H H 50 8.000 7.948 0.052 1
1 607 . 7 1 1 A 50 50 ARG HA H 50 3.860 4.071 -0.211 1
1 615 . 7 1 1 A 50 50 ARG C C 50 174.100 178.637 -4.537 1
1 616 . 7 1 1 A 50 50 ARG CA C 50 60.100 58.990 1.110 1
1 617 . 7 1 1 A 50 50 ARG CB C 50 29.900 29.904 -0.004 1
1 620 . 7 1 1 A 50 50 ARG N N 50 119.100 120.526 -1.426 1
1 622 . 7 1 1 A 51 51 TYR H H 51 8.250 8.033 0.217 1
1 623 . 7 1 1 A 51 51 TYR HA H 51 4.610 4.110 0.500 1
1 630 . 7 1 1 A 51 51 TYR C C 51 178.500 177.562 0.938 1
1 631 . 7 1 1 A 51 51 TYR CA C 51 61.700 61.056 0.644 1
1 632 . 7 1 1 A 51 51 TYR CB C 51 40.000 38.924 1.076 1
1 637 . 7 1 1 A 51 51 TYR N N 51 120.400 120.981 -0.581 1
1 638 . 7 1 1 A 52 52 LEU H H 52 9.030 8.455 0.575 1
1 639 . 7 1 1 A 52 52 LEU HA H 52 3.690 3.956 -0.266 1
1 649 . 7 1 1 A 52 52 LEU C C 52 180.000 179.282 0.718 1
1 650 . 7 1 1 A 52 52 LEU CA C 52 57.600 57.449 0.151 1
1 651 . 7 1 1 A 52 52 LEU CB C 52 40.800 41.370 -0.570 1
1 655 . 7 1 1 A 52 52 LEU N N 52 118.300 119.443 -1.143 1
1 656 . 7 1 1 A 53 53 ARG H H 53 8.530 8.043 0.487 1
1 657 . 7 1 1 A 53 53 ARG HA H 53 4.820 3.999 0.821 1
1 665 . 7 1 1 A 53 53 ARG C C 53 179.100 178.615 0.485 1
1 666 . 7 1 1 A 53 53 ARG CA C 53 59.300 59.435 -0.135 1
1 667 . 7 1 1 A 53 53 ARG CB C 53 31.900 29.746 2.154 1
1 670 . 7 1 1 A 53 53 ARG N N 53 119.400 119.856 -0.456 1
1 672 . 7 1 1 A 54 54 GLU H H 54 9.090 7.870 1.220 1
1 673 . 7 1 1 A 54 54 GLU HA H 54 4.100 4.208 -0.108 1
1 678 . 7 1 1 A 54 54 GLU C C 54 178.700 178.523 0.177 1
1 679 . 7 1 1 A 54 54 GLU CA C 54 59.300 58.605 0.695 1
1 680 . 7 1 1 A 54 54 GLU CB C 54 31.000 30.363 0.637 1
1 682 . 7 1 1 A 54 54 GLU N N 54 116.700 118.337 -1.637 1
1 683 . 7 1 1 A 55 55 GLN H H 55 8.760 7.820 0.940 1
1 684 . 7 1 1 A 55 55 GLN HA H 55 4.290 4.493 -0.203 1
1 691 . 7 1 1 A 55 55 GLN C C 55 177.700 176.953 0.747 1
1 692 . 7 1 1 A 55 55 GLN CA C 55 55.800 55.583 0.217 1
1 693 . 7 1 1 A 55 55 GLN CB C 55 28.000 29.682 -1.682 1
1 695 . 7 1 1 A 55 55 GLN N N 55 113.900 115.711 -1.811 1
1 697 . 7 1 1 A 56 56 LEU H H 56 6.650 8.323 -1.673 1
1 698 . 7 1 1 A 56 56 LEU HA H 56 4.700 3.999 0.701 1
1 708 . 7 1 1 A 56 56 LEU C C 56 178.000 175.930 2.070 1
1 709 . 7 1 1 A 56 56 LEU CA C 56 55.300 56.030 -0.730 1
1 710 . 7 1 1 A 56 56 LEU CB C 56 43.800 41.347 2.453 1
1 714 . 7 1 1 A 56 56 LEU N N 56 116.200 120.815 -4.615 1
1 715 . 7 1 1 A 57 57 GLY H H 57 7.160 8.431 -1.271 1
1 716 . 7 1 1 A 57 57 GLY HA2 H 57 4.070 3.487 0.583 1
1 717 . 7 1 1 A 57 57 GLY HA3 H 57 4.070 3.732 0.338 1
1 718 . 7 1 1 A 57 57 GLY C C 57 175.000 173.318 1.682 1
1 719 . 7 1 1 A 57 57 GLY CA C 57 46.900 44.983 1.917 1
1 720 . 7 1 1 A 57 57 GLY N N 57 109.000 105.152 3.848 1
1 721 . 7 1 1 A 58 58 PHE H H 58 8.480 7.454 1.026 1
1 722 . 7 1 1 A 58 58 PHE HA H 58 4.690 4.705 -0.015 1
1 730 . 7 1 1 A 58 58 PHE C C 58 175.700 174.250 1.450 1
1 731 . 7 1 1 A 58 58 PHE CA C 58 57.900 57.033 0.867 1
1 732 . 7 1 1 A 58 58 PHE CB C 58 39.500 41.559 -2.059 1
1 738 . 7 1 1 A 58 58 PHE N N 58 123.100 118.445 4.655 1
1 739 . 7 1 1 A 59 59 GLU H H 59 8.440 8.679 -0.239 1
1 740 . 7 1 1 A 59 59 GLU HA H 59 4.820 4.598 0.222 1
1 745 . 7 1 1 A 59 59 GLU C C 59 174.700 174.896 -0.196 1
1 746 . 7 1 1 A 59 59 GLU CA C 59 54.600 55.238 -0.638 1
1 747 . 7 1 1 A 59 59 GLU CB C 59 32.800 30.325 2.475 1
1 749 . 7 1 1 A 59 59 GLU N N 59 118.600 124.142 -5.542 1
1 750 . 7 1 1 A 60 60 PHE H H 60 9.110 9.150 -0.040 1
1 751 . 7 1 1 A 60 60 PHE HA H 60 4.470 4.906 -0.436 1
1 759 . 7 1 1 A 60 60 PHE C C 60 175.100 175.670 -0.570 1
1 760 . 7 1 1 A 60 60 PHE CA C 60 58.100 58.755 -0.655 1
1 761 . 7 1 1 A 60 60 PHE CB C 60 39.900 39.645 0.255 1
1 767 . 7 1 1 A 60 60 PHE N N 60 124.300 126.842 -2.542 1
1 768 . 7 1 1 A 61 61 LYS H H 61 8.510 8.695 -0.185 1
1 769 . 7 1 1 A 61 61 LYS HA H 61 4.360 4.981 -0.621 1
1 778 . 7 1 1 A 61 61 LYS C C 61 174.700 174.982 -0.282 1
1 779 . 7 1 1 A 61 61 LYS CA C 61 53.800 54.472 -0.672 1
1 780 . 7 1 1 A 61 61 LYS CB C 61 31.300 35.416 -4.116 1
1 784 . 7 1 1 A 61 61 LYS N N 61 124.900 123.323 1.577 1
1 785 . 7 1 1 A 62 62 ASN H H 62 8.400 8.727 -0.327 1
1 786 . 7 1 1 A 62 62 ASN HA H 62 4.910 5.175 -0.265 1
1 789 . 7 1 1 A 62 62 ASN C C 62 175.500 175.005 0.495 1
1 790 . 7 1 1 A 62 62 ASN CA C 62 52.400 52.826 -0.426 1
1 791 . 7 1 1 A 62 62 ASN CB C 62 39.400 42.167 -2.767 1
1 792 . 7 1 1 A 62 62 ASN N N 62 121.800 117.419 4.381 1
1 793 . 7 1 1 A 63 63 ALA H H 63 8.960 8.660 0.300 1
1 794 . 7 1 1 A 63 63 ALA HA H 63 4.170 4.121 0.049 1
1 798 . 7 1 1 A 63 63 ALA C C 63 178.200 177.549 0.651 1
1 799 . 7 1 1 A 63 63 ALA CA C 63 53.300 52.660 0.640 1
1 800 . 7 1 1 A 63 63 ALA CB C 63 19.300 19.409 -0.109 1
1 801 . 7 1 1 A 63 63 ALA N N 63 126.200 125.568 0.632 1
1 802 . 7 1 1 A 64 64 GLN H H 64 8.570 8.172 0.398 1
1 803 . 7 1 1 A 64 64 GLN HA H 64 4.280 4.072 0.208 1
1 810 . 7 1 1 A 64 64 GLN C C 64 176.200 176.313 -0.113 1
1 811 . 7 1 1 A 64 64 GLN CA C 64 56.300 57.083 -0.783 1
1 812 . 7 1 1 A 64 64 GLN CB C 64 29.400 27.937 1.463 1
1 814 . 7 1 1 A 64 64 GLN N N 64 119.900 116.526 3.374 1
1 816 . 7 1 1 A 65 65 LEU H H 65 8.080 7.283 0.797 1
1 817 . 7 1 1 A 65 65 LEU HA H 65 4.320 4.762 -0.442 1
1 827 . 7 1 1 A 65 65 LEU C C 65 177.200 176.695 0.505 1
1 828 . 7 1 1 A 65 65 LEU CA C 65 55.300 53.972 1.328 1
1 829 . 7 1 1 A 65 65 LEU CB C 65 42.700 42.825 -0.125 1
1 833 . 7 1 1 A 65 65 LEU N N 65 121.700 120.118 1.582 1
1 834 . 7 1 1 A 66 66 GLU H H 66 8.290 7.883 0.407 1
1 835 . 7 1 1 A 66 66 GLU HA H 66 4.190 4.564 -0.374 1
1 840 . 7 1 1 A 66 66 GLU C C 66 176.300 175.597 0.703 1
1 841 . 7 1 1 A 66 66 GLU CA C 66 56.800 55.578 1.222 1
1 842 . 7 1 1 A 66 66 GLU CB C 66 30.400 28.442 1.958 1
1 844 . 7 1 1 A 66 66 GLU N N 66 120.400 121.664 -1.264 1
1 845 . 7 1 1 A 67 67 HIS H H 67 8.280 8.814 -0.534 1
1 846 . 7 1 1 A 67 67 HIS HA H 67 4.620 4.739 -0.119 1
1 850 . 7 1 1 A 67 67 HIS C C 67 173.900 175.966 -2.066 1
1 851 . 7 1 1 A 67 67 HIS CA C 67 55.900 57.379 -1.479 1
1 852 . 7 1 1 A 67 67 HIS CB C 67 30.100 31.216 -1.116 1
1 854 . 7 1 1 A 67 67 HIS N N 67 119.300 123.927 -4.627 1
1 855 . 7 1 1 A 68 68 HIS H H 68 8.180 8.453 -0.273 1
1 856 . 7 1 1 A 68 68 HIS HA H 68 4.440 4.484 -0.044 1
1 859 . 7 1 1 A 68 68 HIS CA C 68 57.300 58.815 -1.515 1
1 860 . 7 1 1 A 68 68 HIS CB C 68 30.200 31.213 -1.013 1
1 861 . 7 1 1 A 68 68 HIS N N 68 125.300 114.829 10.471 1
1 2 . 8 1 1 A 2 2 VAL H H 2 8.100 8.834 -0.734 1
1 3 . 8 1 1 A 2 2 VAL HA H 2 4.090 4.474 -0.384 1
1 5 . 8 1 1 A 2 2 VAL C C 2 176.500 175.466 1.034 1
1 6 . 8 1 1 A 2 2 VAL CA C 2 62.300 61.681 0.619 1
1 7 . 8 1 1 A 2 2 VAL CB C 2 32.700 32.956 -0.256 1
1 8 . 8 1 1 A 2 2 VAL N N 2 124.800 125.100 -0.300 1
1 9 . 8 1 1 A 3 3 GLU H H 3 8.500 8.361 0.139 1
1 10 . 8 1 1 A 3 3 GLU HA H 3 4.280 4.359 -0.079 1
1 15 . 8 1 1 A 3 3 GLU C C 3 175.900 176.646 -0.746 1
1 16 . 8 1 1 A 3 3 GLU CA C 3 56.500 57.026 -0.526 1
1 17 . 8 1 1 A 3 3 GLU CB C 3 30.400 30.269 0.131 1
1 19 . 8 1 1 A 3 3 GLU N N 3 124.200 126.366 -2.166 1
1 20 . 8 1 1 A 4 4 ASN H H 4 8.500 7.612 0.888 1
1 21 . 8 1 1 A 4 4 ASN HA H 4 4.970 4.758 0.212 1
1 26 . 8 1 1 A 4 4 ASN CA C 4 51.200 51.183 0.017 1
1 27 . 8 1 1 A 4 4 ASN CB C 4 39.000 39.664 -0.664 1
1 28 . 8 1 1 A 4 4 ASN N N 4 120.700 120.488 0.212 1
1 30 . 8 1 1 A 5 5 PRO HA H 5 4.390 4.450 -0.060 1
1 37 . 8 1 1 A 5 5 PRO C C 5 176.800 177.133 -0.333 1
1 38 . 8 1 1 A 5 5 PRO CA C 5 63.500 63.800 -0.300 1
1 39 . 8 1 1 A 5 5 PRO CB C 5 32.200 31.968 0.232 1
1 42 . 8 1 1 A 6 6 MET H H 6 8.300 8.171 0.129 1
1 43 . 8 1 1 A 6 6 MET HA H 6 4.400 4.389 0.011 1
1 51 . 8 1 1 A 6 6 MET C C 6 176.200 175.201 0.999 1
1 52 . 8 1 1 A 6 6 MET CA C 6 55.800 56.235 -0.435 1
1 53 . 8 1 1 A 6 6 MET CB C 6 32.600 31.528 1.072 1
1 56 . 8 1 1 A 6 6 MET N N 6 119.400 118.705 0.695 1
1 57 . 8 1 1 A 7 7 VAL H H 7 7.980 8.614 -0.634 1
1 58 . 8 1 1 A 7 7 VAL HA H 7 4.080 4.122 -0.042 1
1 66 . 8 1 1 A 7 7 VAL C C 7 175.800 175.608 0.192 1
1 67 . 8 1 1 A 7 7 VAL CA C 7 62.400 63.129 -0.729 1
1 68 . 8 1 1 A 7 7 VAL CB C 7 32.800 30.742 2.058 1
1 71 . 8 1 1 A 7 7 VAL N N 7 121.500 123.956 -2.456 1
1 72 . 8 1 1 A 8 8 ILE H H 8 8.140 9.032 -0.892 1
1 73 . 8 1 1 A 8 8 ILE HA H 8 4.120 4.954 -0.834 1
1 83 . 8 1 1 A 8 8 ILE C C 8 175.800 175.126 0.674 1
1 84 . 8 1 1 A 8 8 ILE CA C 8 60.900 58.408 2.492 1
1 85 . 8 1 1 A 8 8 ILE CB C 8 38.600 41.561 -2.961 1
1 89 . 8 1 1 A 8 8 ILE N N 8 124.500 122.881 1.619 1
1 90 . 8 1 1 A 9 9 ASN H H 9 8.450 8.396 0.054 1
1 91 . 8 1 1 A 9 9 ASN HA H 9 4.630 5.036 -0.406 1
1 96 . 8 1 1 A 9 9 ASN C C 9 174.700 174.952 -0.252 1
1 97 . 8 1 1 A 9 9 ASN CA C 9 53.200 51.834 1.366 1
1 98 . 8 1 1 A 9 9 ASN CB C 9 39.000 39.869 -0.869 1
1 99 . 8 1 1 A 9 9 ASN N N 9 122.700 118.820 3.880 1
1 101 . 8 1 1 A 10 10 ASN H H 10 8.320 8.132 0.188 1
1 102 . 8 1 1 A 10 10 ASN HA H 10 4.680 4.862 -0.182 1
1 107 . 8 1 1 A 10 10 ASN C C 10 175.000 175.591 -0.591 1
1 108 . 8 1 1 A 10 10 ASN CA C 10 53.100 53.993 -0.893 1
1 109 . 8 1 1 A 10 10 ASN CB C 10 38.700 37.594 1.106 1
1 110 . 8 1 1 A 10 10 ASN N N 10 119.600 117.123 2.477 1
1 112 . 8 1 1 A 11 11 TRP H H 11 8.060 8.920 -0.860 1
1 113 . 8 1 1 A 11 11 TRP HA H 11 4.550 4.614 -0.064 1
1 122 . 8 1 1 A 11 11 TRP C C 11 176.200 175.806 0.394 1
1 123 . 8 1 1 A 11 11 TRP CA C 11 57.800 57.192 0.608 1
1 124 . 8 1 1 A 11 11 TRP CB C 11 29.300 29.552 -0.252 1
1 130 . 8 1 1 A 11 11 TRP N N 11 121.200 125.770 -4.570 1
1 132 . 8 1 1 A 12 12 HIS H H 12 7.980 8.117 -0.137 1
1 133 . 8 1 1 A 12 12 HIS HA H 12 4.410 4.187 0.223 1
1 137 . 8 1 1 A 12 12 HIS C C 12 174.400 174.335 0.065 1
1 138 . 8 1 1 A 12 12 HIS CA C 12 56.200 56.781 -0.581 1
1 139 . 8 1 1 A 12 12 HIS CB C 12 29.600 28.114 1.486 1
1 141 . 8 1 1 A 12 12 HIS N N 12 119.900 117.399 2.501 1
1 142 . 8 1 1 A 13 13 ASP H H 13 8.130 7.905 0.225 1
1 143 . 8 1 1 A 13 13 ASP HA H 13 4.470 4.663 -0.193 1
1 146 . 8 1 1 A 13 13 ASP C C 13 176.100 176.571 -0.471 1
1 147 . 8 1 1 A 13 13 ASP CA C 13 54.700 52.674 2.026 1
1 148 . 8 1 1 A 13 13 ASP CB C 13 41.100 42.459 -1.359 1
1 149 . 8 1 1 A 13 13 ASP N N 13 120.600 117.353 3.247 1
1 150 . 8 1 1 A 14 14 LYS H H 14 8.150 8.798 -0.648 1
1 151 . 8 1 1 A 14 14 LYS HA H 14 4.270 4.364 -0.094 1
1 160 . 8 1 1 A 14 14 LYS C C 14 176.600 175.850 0.750 1
1 161 . 8 1 1 A 14 14 LYS CA C 14 56.500 55.857 0.643 1
1 162 . 8 1 1 A 14 14 LYS CB C 14 32.900 31.997 0.903 1
1 166 . 8 1 1 A 14 14 LYS N N 14 120.900 120.170 0.730 1
1 167 . 8 1 1 A 15 15 LEU H H 15 8.220 7.980 0.240 1
1 168 . 8 1 1 A 15 15 LEU HA H 15 4.360 3.953 0.407 1
1 178 . 8 1 1 A 15 15 LEU C C 15 177.600 176.162 1.438 1
1 179 . 8 1 1 A 15 15 LEU CA C 15 55.600 55.675 -0.075 1
1 180 . 8 1 1 A 15 15 LEU CB C 15 42.200 40.577 1.623 1
1 184 . 8 1 1 A 15 15 LEU N N 15 122.500 118.679 3.821 1
1 185 . 8 1 1 A 16 16 THR H H 16 8.090 8.205 -0.115 1
1 186 . 8 1 1 A 16 16 THR HA H 16 4.340 4.337 0.003 1
1 191 . 8 1 1 A 16 16 THR C C 16 174.700 175.325 -0.625 1
1 192 . 8 1 1 A 16 16 THR CA C 16 61.700 62.324 -0.624 1
1 193 . 8 1 1 A 16 16 THR CB C 16 70.000 69.559 0.441 1
1 195 . 8 1 1 A 16 16 THR N N 16 113.800 115.646 -1.846 1
1 196 . 8 1 1 A 17 17 GLU H H 17 8.400 8.725 -0.325 1
1 197 . 8 1 1 A 17 17 GLU HA H 17 4.330 4.094 0.236 1
1 202 . 8 1 1 A 17 17 GLU C C 17 176.500 177.465 -0.965 1
1 203 . 8 1 1 A 17 17 GLU CA C 17 56.900 58.983 -2.083 1
1 204 . 8 1 1 A 17 17 GLU CB C 17 30.200 30.179 0.021 1
1 206 . 8 1 1 A 17 17 GLU N N 17 122.700 125.926 -3.226 1
1 207 . 8 1 1 A 18 18 THR H H 18 8.040 7.967 0.073 1
1 208 . 8 1 1 A 18 18 THR HA H 18 4.350 4.636 -0.286 1
1 213 . 8 1 1 A 18 18 THR C C 18 174.000 174.066 -0.066 1
1 214 . 8 1 1 A 18 18 THR CA C 18 61.700 60.077 1.623 1
1 215 . 8 1 1 A 18 18 THR CB C 18 69.800 69.859 -0.059 1
1 217 . 8 1 1 A 18 18 THR N N 18 113.600 114.056 -0.456 1
1 218 . 8 1 1 A 19 19 ASP H H 19 8.290 8.615 -0.325 1
1 219 . 8 1 1 A 19 19 ASP HA H 19 4.640 4.474 0.166 1
1 222 . 8 1 1 A 19 19 ASP C C 19 175.500 175.843 -0.343 1
1 223 . 8 1 1 A 19 19 ASP CA C 19 54.500 55.525 -1.025 1
1 224 . 8 1 1 A 19 19 ASP CB C 19 41.200 41.796 -0.596 1
1 225 . 8 1 1 A 19 19 ASP N N 19 122.900 124.804 -1.904 1
1 226 . 8 1 1 A 20 20 VAL H H 20 7.900 7.905 -0.005 1
1 227 . 8 1 1 A 20 20 VAL HA H 20 4.200 3.899 0.301 1
1 235 . 8 1 1 A 20 20 VAL C C 20 175.400 175.451 -0.051 1
1 236 . 8 1 1 A 20 20 VAL CA C 20 61.900 62.251 -0.351 1
1 237 . 8 1 1 A 20 20 VAL CB C 20 33.500 30.989 2.511 1
1 240 . 8 1 1 A 20 20 VAL N N 20 119.900 117.176 2.724 1
1 241 . 8 1 1 A 21 21 GLN H H 21 8.490 8.255 0.235 1
1 242 . 8 1 1 A 21 21 GLN HA H 21 4.510 4.910 -0.400 1
1 249 . 8 1 1 A 21 21 GLN C C 21 173.800 174.489 -0.689 1
1 250 . 8 1 1 A 21 21 GLN CA C 21 54.700 53.701 0.999 1
1 251 . 8 1 1 A 21 21 GLN CB C 21 31.600 32.173 -0.573 1
1 253 . 8 1 1 A 21 21 GLN N N 21 124.800 123.738 1.062 1
1 255 . 8 1 1 A 22 22 ILE H H 22 8.070 8.620 -0.550 1
1 256 . 8 1 1 A 22 22 ILE HA H 22 4.820 5.077 -0.257 1
1 266 . 8 1 1 A 22 22 ILE C C 22 175.500 175.625 -0.125 1
1 267 . 8 1 1 A 22 22 ILE CA C 22 58.700 59.316 -0.616 1
1 268 . 8 1 1 A 22 22 ILE CB C 22 39.800 41.288 -1.488 1
1 272 . 8 1 1 A 22 22 ILE N N 22 120.500 122.796 -2.296 1
1 273 . 8 1 1 A 23 23 ASP H H 23 9.340 8.721 0.619 1
1 274 . 8 1 1 A 23 23 ASP HA H 23 4.570 4.938 -0.368 1
1 277 . 8 1 1 A 23 23 ASP C C 23 178.600 176.488 2.112 1
1 278 . 8 1 1 A 23 23 ASP CA C 23 51.700 52.742 -1.042 1
1 279 . 8 1 1 A 23 23 ASP CB C 23 42.900 41.370 1.530 1
1 280 . 8 1 1 A 23 23 ASP N N 23 128.000 124.910 3.090 1
1 281 . 8 1 1 A 24 24 PHE H H 24 8.860 8.890 -0.030 1
1 282 . 8 1 1 A 24 24 PHE HA H 24 3.960 4.058 -0.098 1
1 290 . 8 1 1 A 24 24 PHE C C 24 175.800 176.456 -0.656 1
1 291 . 8 1 1 A 24 24 PHE CA C 24 61.600 59.865 1.735 1
1 292 . 8 1 1 A 24 24 PHE CB C 24 41.800 39.221 2.579 1
1 298 . 8 1 1 A 24 24 PHE N N 24 118.500 119.335 -0.835 1
1 299 . 8 1 1 A 25 25 TYR H H 25 8.340 7.784 0.556 1
1 300 . 8 1 1 A 25 25 TYR HA H 25 4.400 4.528 -0.128 1
1 307 . 8 1 1 A 25 25 TYR C C 25 175.700 175.541 0.159 1
1 308 . 8 1 1 A 25 25 TYR CA C 25 59.200 57.918 1.282 1
1 309 . 8 1 1 A 25 25 TYR CB C 25 38.700 38.872 -0.172 1
1 314 . 8 1 1 A 25 25 TYR N N 25 114.500 114.574 -0.074 1
1 315 . 8 1 1 A 26 26 GLY H H 26 8.460 7.990 0.470 1
1 316 . 8 1 1 A 26 26 GLY HA2 H 26 4.230 3.992 0.238 1
1 317 . 8 1 1 A 26 26 GLY HA3 H 26 3.500 4.014 -0.514 1
1 318 . 8 1 1 A 26 26 GLY C C 26 174.700 173.625 1.075 1
1 319 . 8 1 1 A 26 26 GLY CA C 26 45.200 45.420 -0.220 1
1 320 . 8 1 1 A 26 26 GLY N N 26 109.700 108.484 1.216 1
1 321 . 8 1 1 A 27 27 ASP H H 27 8.400 8.587 -0.187 1
1 322 . 8 1 1 A 27 27 ASP HA H 27 4.330 4.993 -0.663 1
1 325 . 8 1 1 A 27 27 ASP C C 27 175.700 176.041 -0.341 1
1 326 . 8 1 1 A 27 27 ASP CA C 27 56.700 53.034 3.666 1
1 327 . 8 1 1 A 27 27 ASP CB C 27 30.300 42.769 -12.469 1
1 328 . 8 1 1 A 27 27 ASP N N 27 122.700 119.837 2.863 1
1 329 . 8 1 1 A 28 28 GLU H H 28 7.960 8.438 -0.478 1
1 330 . 8 1 1 A 28 28 GLU HA H 28 4.280 4.748 -0.468 1
1 335 . 8 1 1 A 28 28 GLU C C 28 175.200 176.069 -0.869 1
1 336 . 8 1 1 A 28 28 GLU CA C 28 57.400 56.189 1.211 1
1 337 . 8 1 1 A 28 28 GLU CB C 28 30.500 30.390 0.110 1
1 339 . 8 1 1 A 28 28 GLU N N 28 126.100 121.653 4.447 1
1 340 . 8 1 1 A 29 29 VAL H H 29 8.550 9.226 -0.676 1
1 341 . 8 1 1 A 29 29 VAL HA H 29 4.180 4.825 -0.645 1
1 349 . 8 1 1 A 29 29 VAL C C 29 176.000 175.586 0.414 1
1 350 . 8 1 1 A 29 29 VAL CA C 29 61.500 61.643 -0.143 1
1 351 . 8 1 1 A 29 29 VAL CB C 29 32.300 31.891 0.409 1
1 354 . 8 1 1 A 29 29 VAL N N 29 123.500 125.426 -1.926 1
1 355 . 8 1 1 A 30 30 THR H H 30 9.720 8.825 0.895 1
1 356 . 8 1 1 A 30 30 THR HA H 30 5.010 4.908 0.102 1
1 361 . 8 1 1 A 30 30 THR CA C 30 60.800 58.657 2.143 1
1 362 . 8 1 1 A 30 30 THR CB C 30 68.700 70.007 -1.307 1
1 364 . 8 1 1 A 30 30 THR N N 30 122.300 117.866 4.434 1
1 365 . 8 1 1 A 31 31 PRO HA H 31 4.510 4.532 -0.022 1
1 372 . 8 1 1 A 31 31 PRO C C 31 176.400 176.403 -0.003 1
1 373 . 8 1 1 A 31 31 PRO CA C 31 65.200 63.939 1.261 1
1 374 . 8 1 1 A 31 31 PRO CB C 31 32.600 31.339 1.261 1
1 377 . 8 1 1 A 32 32 VAL H H 32 6.830 7.917 -1.087 1
1 378 . 8 1 1 A 32 32 VAL HA H 32 4.450 4.239 0.211 1
1 386 . 8 1 1 A 32 32 VAL C C 32 175.700 175.652 0.048 1
1 387 . 8 1 1 A 32 32 VAL CA C 32 60.600 63.017 -2.417 1
1 388 . 8 1 1 A 32 32 VAL CB C 32 31.200 33.892 -2.692 1
1 391 . 8 1 1 A 32 32 VAL N N 32 105.600 117.481 -11.881 1
1 392 . 8 1 1 A 33 33 ASP H H 33 7.800 7.629 0.171 1
1 393 . 8 1 1 A 33 33 ASP HA H 33 4.910 5.045 -0.135 1
1 396 . 8 1 1 A 33 33 ASP C C 33 174.900 174.916 -0.016 1
1 397 . 8 1 1 A 33 33 ASP CA C 33 55.100 53.013 2.087 1
1 398 . 8 1 1 A 33 33 ASP CB C 33 43.900 42.683 1.217 1
1 399 . 8 1 1 A 33 33 ASP N N 33 122.100 119.909 2.191 1
1 400 . 8 1 1 A 34 34 ASP H H 34 8.810 8.803 0.007 1
1 401 . 8 1 1 A 34 34 ASP HA H 34 5.060 5.256 -0.196 1
1 404 . 8 1 1 A 34 34 ASP C C 34 176.500 175.236 1.264 1
1 405 . 8 1 1 A 34 34 ASP CA C 34 53.700 53.759 -0.059 1
1 406 . 8 1 1 A 34 34 ASP CB C 34 41.600 42.270 -0.670 1
1 407 . 8 1 1 A 34 34 ASP N N 34 121.800 123.308 -1.508 1
1 408 . 8 1 1 A 35 35 TYR H H 35 8.570 8.545 0.025 1
1 409 . 8 1 1 A 35 35 TYR HA H 35 5.220 5.513 -0.293 1
1 416 . 8 1 1 A 35 35 TYR C C 35 171.800 172.854 -1.054 1
1 417 . 8 1 1 A 35 35 TYR CA C 35 56.300 56.120 0.180 1
1 418 . 8 1 1 A 35 35 TYR CB C 35 40.700 41.465 -0.765 1
1 423 . 8 1 1 A 35 35 TYR N N 35 117.900 120.486 -2.586 1
1 424 . 8 1 1 A 36 36 VAL H H 36 9.340 8.636 0.704 1
1 425 . 8 1 1 A 36 36 VAL HA H 36 4.660 4.638 0.022 1
1 433 . 8 1 1 A 36 36 VAL C C 36 173.300 174.816 -1.516 1
1 434 . 8 1 1 A 36 36 VAL CA C 36 59.300 60.240 -0.940 1
1 435 . 8 1 1 A 36 36 VAL CB C 36 35.100 35.647 -0.547 1
1 438 . 8 1 1 A 36 36 VAL N N 36 120.700 119.408 1.292 1
1 439 . 8 1 1 A 37 37 ILE H H 37 8.820 8.866 -0.046 1
1 440 . 8 1 1 A 37 37 ILE HA H 37 4.820 5.050 -0.230 1
1 450 . 8 1 1 A 37 37 ILE C C 37 175.500 174.287 1.213 1
1 451 . 8 1 1 A 37 37 ILE CA C 37 59.700 60.428 -0.728 1
1 452 . 8 1 1 A 37 37 ILE CB C 37 40.600 39.228 1.372 1
1 456 . 8 1 1 A 37 37 ILE N N 37 124.100 126.642 -2.542 1
1 457 . 8 1 1 A 38 38 ASP H H 38 8.280 8.911 -0.631 1
1 458 . 8 1 1 A 38 38 ASP HA H 38 4.430 4.947 -0.517 1
1 461 . 8 1 1 A 38 38 ASP C C 38 177.000 176.829 0.171 1
1 462 . 8 1 1 A 38 38 ASP CA C 38 51.400 53.182 -1.782 1
1 463 . 8 1 1 A 38 38 ASP CB C 38 41.200 40.774 0.426 1
1 464 . 8 1 1 A 38 38 ASP N N 38 126.600 128.228 -1.628 1
1 465 . 8 1 1 A 39 39 GLY H H 39 8.910 8.812 0.098 1
1 466 . 8 1 1 A 39 39 GLY HA2 H 39 3.640 3.827 -0.187 1
1 467 . 8 1 1 A 39 39 GLY HA3 H 39 3.850 3.838 0.012 1
1 468 . 8 1 1 A 39 39 GLY C C 39 174.500 175.118 -0.618 1
1 469 . 8 1 1 A 39 39 GLY CA C 39 47.600 46.439 1.161 1
1 470 . 8 1 1 A 39 39 GLY N N 39 114.900 114.343 0.557 1
1 471 . 8 1 1 A 40 40 GLY H H 40 8.220 8.659 -0.439 1
1 472 . 8 1 1 A 40 40 GLY HA2 H 40 3.900 4.046 -0.146 1
1 473 . 8 1 1 A 40 40 GLY HA3 H 40 3.900 4.049 -0.149 1
1 474 . 8 1 1 A 40 40 GLY C C 40 173.900 174.667 -0.767 1
1 475 . 8 1 1 A 40 40 GLY CA C 40 45.000 45.024 -0.024 1
1 476 . 8 1 1 A 40 40 GLY N N 40 112.200 106.827 5.373 1
1 477 . 8 1 1 A 41 41 GLU H H 41 7.770 7.971 -0.201 1
1 478 . 8 1 1 A 41 41 GLU HA H 41 4.750 4.669 0.081 1
1 483 . 8 1 1 A 41 41 GLU C C 41 174.800 175.620 -0.820 1
1 484 . 8 1 1 A 41 41 GLU CA C 41 54.300 55.259 -0.959 1
1 485 . 8 1 1 A 41 41 GLU CB C 41 30.300 31.348 -1.048 1
1 487 . 8 1 1 A 41 41 GLU N N 41 120.200 120.087 0.113 1
1 488 . 8 1 1 A 42 42 ILE H H 42 8.720 8.455 0.265 1
1 489 . 8 1 1 A 42 42 ILE HA H 42 4.780 4.853 -0.073 1
1 499 . 8 1 1 A 42 42 ILE C C 42 174.800 175.369 -0.569 1
1 500 . 8 1 1 A 42 42 ILE CA C 42 59.200 59.800 -0.600 1
1 501 . 8 1 1 A 42 42 ILE CB C 42 40.300 39.793 0.507 1
1 505 . 8 1 1 A 42 42 ILE N N 42 122.000 121.306 0.694 1
1 506 . 8 1 1 A 43 43 ILE H H 43 9.230 9.315 -0.085 1
1 507 . 8 1 1 A 43 43 ILE HA H 43 4.480 4.584 -0.104 1
1 517 . 8 1 1 A 43 43 ILE C C 43 176.400 175.711 0.689 1
1 518 . 8 1 1 A 43 43 ILE CA C 43 61.000 60.034 0.966 1
1 519 . 8 1 1 A 43 43 ILE CB C 43 42.300 41.090 1.210 1
1 523 . 8 1 1 A 43 43 ILE N N 43 126.400 126.895 -0.495 1
1 524 . 8 1 1 A 44 44 LEU H H 44 10.930 8.591 2.339 1
1 525 . 8 1 1 A 44 44 LEU HA H 44 4.280 4.270 0.010 1
1 535 . 8 1 1 A 44 44 LEU C C 44 179.300 178.277 1.023 1
1 536 . 8 1 1 A 44 44 LEU CA C 44 56.500 56.377 0.123 1
1 537 . 8 1 1 A 44 44 LEU CB C 44 42.600 43.055 -0.455 1
1 541 . 8 1 1 A 44 44 LEU N N 44 130.900 128.990 1.910 1
1 542 . 8 1 1 A 45 45 ARG H H 45 8.610 9.140 -0.530 1
1 543 . 8 1 1 A 45 45 ARG HA H 45 3.890 4.125 -0.235 1
1 551 . 8 1 1 A 45 45 ARG C C 45 179.300 177.947 1.353 1
1 552 . 8 1 1 A 45 45 ARG CA C 45 60.200 58.827 1.373 1
1 553 . 8 1 1 A 45 45 ARG CB C 45 29.400 29.832 -0.432 1
1 556 . 8 1 1 A 45 45 ARG N N 45 125.400 126.334 -0.934 1
1 558 . 8 1 1 A 46 46 GLU H H 46 9.020 8.094 0.926 1
1 559 . 8 1 1 A 46 46 GLU HA H 46 4.210 4.157 0.053 1
1 564 . 8 1 1 A 46 46 GLU C C 46 176.700 177.532 -0.832 1
1 565 . 8 1 1 A 46 46 GLU CA C 46 59.000 58.182 0.818 1
1 566 . 8 1 1 A 46 46 GLU CB C 46 29.600 29.872 -0.272 1
1 568 . 8 1 1 A 46 46 GLU N N 46 117.500 118.212 -0.712 1
1 569 . 8 1 1 A 47 47 ASN H H 47 7.870 8.303 -0.433 1
1 570 . 8 1 1 A 47 47 ASN HA H 47 5.100 4.877 0.223 1
1 573 . 8 1 1 A 47 47 ASN C C 47 175.200 176.666 -1.466 1
1 574 . 8 1 1 A 47 47 ASN CA C 47 52.800 53.598 -0.798 1
1 575 . 8 1 1 A 47 47 ASN CB C 47 40.500 39.775 0.725 1
1 576 . 8 1 1 A 47 47 ASN N N 47 115.900 115.840 0.060 1
1 577 . 8 1 1 A 48 48 LEU H H 48 7.760 7.742 0.018 1
1 578 . 8 1 1 A 48 48 LEU HA H 48 4.060 4.215 -0.155 1
1 588 . 8 1 1 A 48 48 LEU C C 48 177.200 178.160 -0.960 1
1 589 . 8 1 1 A 48 48 LEU CA C 48 59.000 57.491 1.509 1
1 590 . 8 1 1 A 48 48 LEU CB C 48 42.800 41.446 1.354 1
1 594 . 8 1 1 A 48 48 LEU N N 48 122.300 121.918 0.382 1
1 595 . 8 1 1 A 49 49 GLU H H 49 8.770 8.431 0.339 1
1 596 . 8 1 1 A 49 49 GLU HA H 49 3.670 3.913 -0.243 1
1 601 . 8 1 1 A 49 49 GLU C C 49 176.200 179.114 -2.914 1
1 602 . 8 1 1 A 49 49 GLU CA C 49 61.300 59.943 1.357 1
1 603 . 8 1 1 A 49 49 GLU CB C 49 28.200 29.493 -1.293 1
1 605 . 8 1 1 A 49 49 GLU N N 49 118.800 119.070 -0.270 1
1 606 . 8 1 1 A 50 50 ARG H H 50 8.000 8.138 -0.138 1
1 607 . 8 1 1 A 50 50 ARG HA H 50 3.860 4.148 -0.288 1
1 615 . 8 1 1 A 50 50 ARG C C 50 174.100 178.065 -3.965 1
1 616 . 8 1 1 A 50 50 ARG CA C 50 60.100 58.873 1.227 1
1 617 . 8 1 1 A 50 50 ARG CB C 50 29.900 30.054 -0.154 1
1 620 . 8 1 1 A 50 50 ARG N N 50 119.100 119.170 -0.070 1
1 622 . 8 1 1 A 51 51 TYR H H 51 8.250 7.918 0.332 1
1 623 . 8 1 1 A 51 51 TYR HA H 51 4.610 4.137 0.473 1
1 630 . 8 1 1 A 51 51 TYR C C 51 178.500 176.911 1.589 1
1 631 . 8 1 1 A 51 51 TYR CA C 51 61.700 61.384 0.316 1
1 632 . 8 1 1 A 51 51 TYR CB C 51 40.000 38.850 1.150 1
1 637 . 8 1 1 A 51 51 TYR N N 51 120.400 121.525 -1.125 1
1 638 . 8 1 1 A 52 52 LEU H H 52 9.030 8.835 0.195 1
1 639 . 8 1 1 A 52 52 LEU HA H 52 3.690 3.870 -0.180 1
1 649 . 8 1 1 A 52 52 LEU C C 52 180.000 179.375 0.625 1
1 650 . 8 1 1 A 52 52 LEU CA C 52 57.600 57.706 -0.106 1
1 651 . 8 1 1 A 52 52 LEU CB C 52 40.800 41.060 -0.260 1
1 655 . 8 1 1 A 52 52 LEU N N 52 118.300 118.916 -0.616 1
1 656 . 8 1 1 A 53 53 ARG H H 53 8.530 7.951 0.579 1
1 657 . 8 1 1 A 53 53 ARG HA H 53 4.820 3.970 0.850 1
1 665 . 8 1 1 A 53 53 ARG C C 53 179.100 178.701 0.399 1
1 666 . 8 1 1 A 53 53 ARG CA C 53 59.300 59.573 -0.273 1
1 667 . 8 1 1 A 53 53 ARG CB C 53 31.900 29.725 2.175 1
1 670 . 8 1 1 A 53 53 ARG N N 53 119.400 119.469 -0.069 1
1 672 . 8 1 1 A 54 54 GLU H H 54 9.090 7.731 1.359 1
1 673 . 8 1 1 A 54 54 GLU HA H 54 4.100 4.206 -0.106 1
1 678 . 8 1 1 A 54 54 GLU C C 54 178.700 178.376 0.324 1
1 679 . 8 1 1 A 54 54 GLU CA C 54 59.300 58.592 0.708 1
1 680 . 8 1 1 A 54 54 GLU CB C 54 31.000 30.389 0.611 1
1 682 . 8 1 1 A 54 54 GLU N N 54 116.700 118.898 -2.198 1
1 683 . 8 1 1 A 55 55 GLN H H 55 8.760 7.889 0.871 1
1 684 . 8 1 1 A 55 55 GLN HA H 55 4.290 4.140 0.150 1
1 691 . 8 1 1 A 55 55 GLN C C 55 177.700 175.711 1.989 1
1 692 . 8 1 1 A 55 55 GLN CA C 55 55.800 57.868 -2.068 1
1 693 . 8 1 1 A 55 55 GLN CB C 55 28.000 28.968 -0.968 1
1 695 . 8 1 1 A 55 55 GLN N N 55 113.900 119.883 -5.983 1
1 697 . 8 1 1 A 56 56 LEU H H 56 6.650 7.468 -0.818 1
1 698 . 8 1 1 A 56 56 LEU HA H 56 4.700 3.877 0.823 1
1 708 . 8 1 1 A 56 56 LEU C C 56 178.000 176.200 1.800 1
1 709 . 8 1 1 A 56 56 LEU CA C 56 55.300 56.099 -0.799 1
1 710 . 8 1 1 A 56 56 LEU CB C 56 43.800 40.835 2.965 1
1 714 . 8 1 1 A 56 56 LEU N N 56 116.200 119.671 -3.471 1
1 715 . 8 1 1 A 57 57 GLY H H 57 7.160 8.109 -0.949 1
1 716 . 8 1 1 A 57 57 GLY HA2 H 57 4.070 3.565 0.505 1
1 717 . 8 1 1 A 57 57 GLY HA3 H 57 4.070 3.782 0.288 1
1 718 . 8 1 1 A 57 57 GLY C C 57 175.000 173.865 1.135 1
1 719 . 8 1 1 A 57 57 GLY CA C 57 46.900 45.344 1.556 1
1 720 . 8 1 1 A 57 57 GLY N N 57 109.000 104.135 4.865 1
1 721 . 8 1 1 A 58 58 PHE H H 58 8.480 7.728 0.752 1
1 722 . 8 1 1 A 58 58 PHE HA H 58 4.690 4.189 0.501 1
1 730 . 8 1 1 A 58 58 PHE C C 58 175.700 174.757 0.943 1
1 731 . 8 1 1 A 58 58 PHE CA C 58 57.900 58.835 -0.935 1
1 732 . 8 1 1 A 58 58 PHE CB C 58 39.500 38.551 0.949 1
1 738 . 8 1 1 A 58 58 PHE N N 58 123.100 119.889 3.211 1
1 739 . 8 1 1 A 59 59 GLU H H 59 8.440 8.594 -0.154 1
1 740 . 8 1 1 A 59 59 GLU HA H 59 4.820 4.556 0.264 1
1 745 . 8 1 1 A 59 59 GLU C C 59 174.700 174.997 -0.297 1
1 746 . 8 1 1 A 59 59 GLU CA C 59 54.600 55.128 -0.528 1
1 747 . 8 1 1 A 59 59 GLU CB C 59 32.800 30.150 2.650 1
1 749 . 8 1 1 A 59 59 GLU N N 59 118.600 125.025 -6.425 1
1 750 . 8 1 1 A 60 60 PHE H H 60 9.110 9.026 0.084 1
1 751 . 8 1 1 A 60 60 PHE HA H 60 4.470 4.817 -0.347 1
1 759 . 8 1 1 A 60 60 PHE C C 60 175.100 174.928 0.172 1
1 760 . 8 1 1 A 60 60 PHE CA C 60 58.100 57.509 0.591 1
1 761 . 8 1 1 A 60 60 PHE CB C 60 39.900 38.389 1.511 1
1 767 . 8 1 1 A 60 60 PHE N N 60 124.300 126.744 -2.444 1
1 768 . 8 1 1 A 61 61 LYS H H 61 8.510 8.535 -0.025 1
1 769 . 8 1 1 A 61 61 LYS HA H 61 4.360 4.725 -0.365 1
1 778 . 8 1 1 A 61 61 LYS C C 61 174.700 176.445 -1.745 1
1 779 . 8 1 1 A 61 61 LYS CA C 61 53.800 55.212 -1.412 1
1 780 . 8 1 1 A 61 61 LYS CB C 61 31.300 32.067 -0.767 1
1 784 . 8 1 1 A 61 61 LYS N N 61 124.900 125.701 -0.801 1
1 785 . 8 1 1 A 62 62 ASN H H 62 8.400 8.715 -0.315 1
1 786 . 8 1 1 A 62 62 ASN HA H 62 4.910 5.030 -0.120 1
1 789 . 8 1 1 A 62 62 ASN C C 62 175.500 177.199 -1.699 1
1 790 . 8 1 1 A 62 62 ASN CA C 62 52.400 51.886 0.514 1
1 791 . 8 1 1 A 62 62 ASN CB C 62 39.400 39.166 0.234 1
1 792 . 8 1 1 A 62 62 ASN N N 62 121.800 124.099 -2.299 1
1 793 . 8 1 1 A 63 63 ALA H H 63 8.960 8.291 0.669 1
1 794 . 8 1 1 A 63 63 ALA HA H 63 4.170 4.400 -0.230 1
1 798 . 8 1 1 A 63 63 ALA C C 63 178.200 177.464 0.736 1
1 799 . 8 1 1 A 63 63 ALA CA C 63 53.300 51.811 1.489 1
1 800 . 8 1 1 A 63 63 ALA CB C 63 19.300 19.322 -0.022 1
1 801 . 8 1 1 A 63 63 ALA N N 63 126.200 121.684 4.516 1
1 802 . 8 1 1 A 64 64 GLN H H 64 8.570 8.103 0.467 1
1 803 . 8 1 1 A 64 64 GLN HA H 64 4.280 3.895 0.385 1
1 810 . 8 1 1 A 64 64 GLN C C 64 176.200 175.029 1.171 1
1 811 . 8 1 1 A 64 64 GLN CA C 64 56.300 57.290 -0.990 1
1 812 . 8 1 1 A 64 64 GLN CB C 64 29.400 28.299 1.101 1
1 814 . 8 1 1 A 64 64 GLN N N 64 119.900 116.536 3.364 1
1 816 . 8 1 1 A 65 65 LEU H H 65 8.080 7.762 0.318 1
1 817 . 8 1 1 A 65 65 LEU HA H 65 4.320 4.656 -0.336 1
1 827 . 8 1 1 A 65 65 LEU C C 65 177.200 175.182 2.018 1
1 828 . 8 1 1 A 65 65 LEU CA C 65 55.300 53.998 1.302 1
1 829 . 8 1 1 A 65 65 LEU CB C 65 42.700 42.941 -0.241 1
1 833 . 8 1 1 A 65 65 LEU N N 65 121.700 120.970 0.730 1
1 834 . 8 1 1 A 66 66 GLU H H 66 8.290 8.833 -0.543 1
1 835 . 8 1 1 A 66 66 GLU HA H 66 4.190 4.242 -0.052 1
1 840 . 8 1 1 A 66 66 GLU C C 66 176.300 176.746 -0.446 1
1 841 . 8 1 1 A 66 66 GLU CA C 66 56.800 56.787 0.013 1
1 842 . 8 1 1 A 66 66 GLU CB C 66 30.400 30.050 0.350 1
1 844 . 8 1 1 A 66 66 GLU N N 66 120.400 126.861 -6.461 1
1 845 . 8 1 1 A 67 67 HIS H H 67 8.280 8.453 -0.173 1
1 846 . 8 1 1 A 67 67 HIS HA H 67 4.620 4.334 0.286 1
1 850 . 8 1 1 A 67 67 HIS C C 67 173.900 175.456 -1.556 1
1 851 . 8 1 1 A 67 67 HIS CA C 67 55.900 58.996 -3.096 1
1 852 . 8 1 1 A 67 67 HIS CB C 67 30.100 29.611 0.489 1
1 854 . 8 1 1 A 67 67 HIS N N 67 119.300 123.339 -4.039 1
1 855 . 8 1 1 A 68 68 HIS H H 68 8.180 7.927 0.253 1
1 856 . 8 1 1 A 68 68 HIS HA H 68 4.440 4.989 -0.549 1
1 859 . 8 1 1 A 68 68 HIS CA C 68 57.300 54.534 2.766 1
1 860 . 8 1 1 A 68 68 HIS CB C 68 30.200 31.377 -1.177 1
1 861 . 8 1 1 A 68 68 HIS N N 68 125.300 115.324 9.976 1
1 2 . 9 1 1 A 2 2 VAL H H 2 8.100 8.842 -0.742 1
1 3 . 9 1 1 A 2 2 VAL HA H 2 4.090 4.046 0.044 1
1 5 . 9 1 1 A 2 2 VAL C C 2 176.500 176.173 0.327 1
1 6 . 9 1 1 A 2 2 VAL CA C 2 62.300 64.255 -1.955 1
1 7 . 9 1 1 A 2 2 VAL CB C 2 32.700 32.041 0.659 1
1 8 . 9 1 1 A 2 2 VAL N N 2 124.800 126.241 -1.441 1
1 9 . 9 1 1 A 3 3 GLU H H 3 8.500 7.624 0.876 1
1 10 . 9 1 1 A 3 3 GLU HA H 3 4.280 4.615 -0.335 1
1 15 . 9 1 1 A 3 3 GLU C C 3 175.900 175.526 0.374 1
1 16 . 9 1 1 A 3 3 GLU CA C 3 56.500 57.898 -1.398 1
1 17 . 9 1 1 A 3 3 GLU CB C 3 30.400 31.976 -1.576 1
1 19 . 9 1 1 A 3 3 GLU N N 3 124.200 115.750 8.450 1
1 20 . 9 1 1 A 4 4 ASN H H 4 8.500 7.981 0.519 1
1 21 . 9 1 1 A 4 4 ASN HA H 4 4.970 5.271 -0.301 1
1 26 . 9 1 1 A 4 4 ASN CA C 4 51.200 50.334 0.866 1
1 27 . 9 1 1 A 4 4 ASN CB C 4 39.000 40.612 -1.612 1
1 28 . 9 1 1 A 4 4 ASN N N 4 120.700 114.436 6.264 1
1 30 . 9 1 1 A 5 5 PRO HA H 5 4.390 4.520 -0.130 1
1 37 . 9 1 1 A 5 5 PRO C C 5 176.800 177.058 -0.258 1
1 38 . 9 1 1 A 5 5 PRO CA C 5 63.500 63.941 -0.441 1
1 39 . 9 1 1 A 5 5 PRO CB C 5 32.200 32.679 -0.479 1
1 42 . 9 1 1 A 6 6 MET H H 6 8.300 7.930 0.370 1
1 43 . 9 1 1 A 6 6 MET HA H 6 4.400 4.491 -0.091 1
1 51 . 9 1 1 A 6 6 MET C C 6 176.200 176.327 -0.127 1
1 52 . 9 1 1 A 6 6 MET CA C 6 55.800 56.901 -1.101 1
1 53 . 9 1 1 A 6 6 MET CB C 6 32.600 33.666 -1.066 1
1 56 . 9 1 1 A 6 6 MET N N 6 119.400 119.411 -0.011 1
1 57 . 9 1 1 A 7 7 VAL H H 7 7.980 7.291 0.689 1
1 58 . 9 1 1 A 7 7 VAL HA H 7 4.080 3.933 0.147 1
1 66 . 9 1 1 A 7 7 VAL C C 7 175.800 175.131 0.669 1
1 67 . 9 1 1 A 7 7 VAL CA C 7 62.400 62.560 -0.160 1
1 68 . 9 1 1 A 7 7 VAL CB C 7 32.800 33.031 -0.231 1
1 71 . 9 1 1 A 7 7 VAL N N 7 121.500 118.777 2.723 1
1 72 . 9 1 1 A 8 8 ILE H H 8 8.140 8.081 0.059 1
1 73 . 9 1 1 A 8 8 ILE HA H 8 4.120 4.056 0.064 1
1 83 . 9 1 1 A 8 8 ILE C C 8 175.800 176.443 -0.643 1
1 84 . 9 1 1 A 8 8 ILE CA C 8 60.900 60.747 0.153 1
1 85 . 9 1 1 A 8 8 ILE CB C 8 38.600 38.445 0.155 1
1 89 . 9 1 1 A 8 8 ILE N N 8 124.500 122.707 1.793 1
1 90 . 9 1 1 A 9 9 ASN H H 9 8.450 8.590 -0.140 1
1 91 . 9 1 1 A 9 9 ASN HA H 9 4.630 4.300 0.330 1
1 96 . 9 1 1 A 9 9 ASN C C 9 174.700 175.056 -0.356 1
1 97 . 9 1 1 A 9 9 ASN CA C 9 53.200 54.766 -1.566 1
1 98 . 9 1 1 A 9 9 ASN CB C 9 39.000 38.799 0.201 1
1 99 . 9 1 1 A 9 9 ASN N N 9 122.700 122.173 0.527 1
1 101 . 9 1 1 A 10 10 ASN H H 10 8.320 7.483 0.837 1
1 102 . 9 1 1 A 10 10 ASN HA H 10 4.680 4.739 -0.059 1
1 107 . 9 1 1 A 10 10 ASN C C 10 175.000 173.648 1.352 1
1 108 . 9 1 1 A 10 10 ASN CA C 10 53.100 52.112 0.988 1
1 109 . 9 1 1 A 10 10 ASN CB C 10 38.700 38.088 0.612 1
1 110 . 9 1 1 A 10 10 ASN N N 10 119.600 117.345 2.255 1
1 112 . 9 1 1 A 11 11 TRP H H 11 8.060 8.729 -0.669 1
1 113 . 9 1 1 A 11 11 TRP HA H 11 4.550 4.807 -0.257 1
1 122 . 9 1 1 A 11 11 TRP C C 11 176.200 176.756 -0.556 1
1 123 . 9 1 1 A 11 11 TRP CA C 11 57.800 57.672 0.128 1
1 124 . 9 1 1 A 11 11 TRP CB C 11 29.300 29.325 -0.025 1
1 130 . 9 1 1 A 11 11 TRP N N 11 121.200 127.813 -6.613 1
1 132 . 9 1 1 A 12 12 HIS H H 12 7.980 9.110 -1.130 1
1 133 . 9 1 1 A 12 12 HIS HA H 12 4.410 4.525 -0.115 1
1 137 . 9 1 1 A 12 12 HIS C C 12 174.400 174.497 -0.097 1
1 138 . 9 1 1 A 12 12 HIS CA C 12 56.200 57.888 -1.688 1
1 139 . 9 1 1 A 12 12 HIS CB C 12 29.600 30.564 -0.964 1
1 141 . 9 1 1 A 12 12 HIS N N 12 119.900 126.055 -6.155 1
1 142 . 9 1 1 A 13 13 ASP H H 13 8.130 8.121 0.009 1
1 143 . 9 1 1 A 13 13 ASP HA H 13 4.470 4.492 -0.022 1
1 146 . 9 1 1 A 13 13 ASP C C 13 176.100 175.758 0.342 1
1 147 . 9 1 1 A 13 13 ASP CA C 13 54.700 54.732 -0.032 1
1 148 . 9 1 1 A 13 13 ASP CB C 13 41.100 41.970 -0.870 1
1 149 . 9 1 1 A 13 13 ASP N N 13 120.600 119.994 0.606 1
1 150 . 9 1 1 A 14 14 LYS H H 14 8.150 8.855 -0.705 1
1 151 . 9 1 1 A 14 14 LYS HA H 14 4.270 4.543 -0.273 1
1 160 . 9 1 1 A 14 14 LYS C C 14 176.600 176.026 0.574 1
1 161 . 9 1 1 A 14 14 LYS CA C 14 56.500 56.158 0.342 1
1 162 . 9 1 1 A 14 14 LYS CB C 14 32.900 34.142 -1.242 1
1 166 . 9 1 1 A 14 14 LYS N N 14 120.900 124.407 -3.507 1
1 167 . 9 1 1 A 15 15 LEU H H 15 8.220 8.016 0.204 1
1 168 . 9 1 1 A 15 15 LEU HA H 15 4.360 4.043 0.317 1
1 178 . 9 1 1 A 15 15 LEU C C 15 177.600 177.038 0.562 1
1 179 . 9 1 1 A 15 15 LEU CA C 15 55.600 55.523 0.077 1
1 180 . 9 1 1 A 15 15 LEU CB C 15 42.200 40.632 1.568 1
1 184 . 9 1 1 A 15 15 LEU N N 15 122.500 117.916 4.584 1
1 185 . 9 1 1 A 16 16 THR H H 16 8.090 8.400 -0.310 1
1 186 . 9 1 1 A 16 16 THR HA H 16 4.340 4.414 -0.074 1
1 191 . 9 1 1 A 16 16 THR C C 16 174.700 173.866 0.834 1
1 192 . 9 1 1 A 16 16 THR CA C 16 61.700 62.577 -0.877 1
1 193 . 9 1 1 A 16 16 THR CB C 16 70.000 69.020 0.980 1
1 195 . 9 1 1 A 16 16 THR N N 16 113.800 116.672 -2.872 1
1 196 . 9 1 1 A 17 17 GLU H H 17 8.400 7.747 0.653 1
1 197 . 9 1 1 A 17 17 GLU HA H 17 4.330 4.750 -0.420 1
1 202 . 9 1 1 A 17 17 GLU C C 17 176.500 175.402 1.098 1
1 203 . 9 1 1 A 17 17 GLU CA C 17 56.900 54.943 1.957 1
1 204 . 9 1 1 A 17 17 GLU CB C 17 30.200 32.786 -2.586 1
1 206 . 9 1 1 A 17 17 GLU N N 17 122.700 119.234 3.466 1
1 207 . 9 1 1 A 18 18 THR H H 18 8.040 8.902 -0.862 1
1 208 . 9 1 1 A 18 18 THR HA H 18 4.350 4.598 -0.248 1
1 213 . 9 1 1 A 18 18 THR C C 18 174.000 175.391 -1.391 1
1 214 . 9 1 1 A 18 18 THR CA C 18 61.700 63.418 -1.718 1
1 215 . 9 1 1 A 18 18 THR CB C 18 69.800 71.117 -1.317 1
1 217 . 9 1 1 A 18 18 THR N N 18 113.600 117.010 -3.410 1
1 218 . 9 1 1 A 19 19 ASP H H 19 8.290 8.399 -0.109 1
1 219 . 9 1 1 A 19 19 ASP HA H 19 4.640 4.550 0.090 1
1 222 . 9 1 1 A 19 19 ASP C C 19 175.500 175.457 0.043 1
1 223 . 9 1 1 A 19 19 ASP CA C 19 54.500 53.955 0.545 1
1 224 . 9 1 1 A 19 19 ASP CB C 19 41.200 39.684 1.516 1
1 225 . 9 1 1 A 19 19 ASP N N 19 122.900 118.712 4.188 1
1 226 . 9 1 1 A 20 20 VAL H H 20 7.900 7.622 0.278 1
1 227 . 9 1 1 A 20 20 VAL HA H 20 4.200 4.113 0.087 1
1 235 . 9 1 1 A 20 20 VAL C C 20 175.400 174.858 0.542 1
1 236 . 9 1 1 A 20 20 VAL CA C 20 61.900 61.957 -0.057 1
1 237 . 9 1 1 A 20 20 VAL CB C 20 33.500 31.434 2.066 1
1 240 . 9 1 1 A 20 20 VAL N N 20 119.900 121.095 -1.195 1
1 241 . 9 1 1 A 21 21 GLN H H 21 8.490 8.697 -0.207 1
1 242 . 9 1 1 A 21 21 GLN HA H 21 4.510 5.022 -0.512 1
1 249 . 9 1 1 A 21 21 GLN C C 21 173.800 174.017 -0.217 1
1 250 . 9 1 1 A 21 21 GLN CA C 21 54.700 53.567 1.133 1
1 251 . 9 1 1 A 21 21 GLN CB C 21 31.600 32.438 -0.838 1
1 253 . 9 1 1 A 21 21 GLN N N 21 124.800 123.819 0.981 1
1 255 . 9 1 1 A 22 22 ILE H H 22 8.070 8.838 -0.768 1
1 256 . 9 1 1 A 22 22 ILE HA H 22 4.820 4.646 0.174 1
1 266 . 9 1 1 A 22 22 ILE C C 22 175.500 174.394 1.106 1
1 267 . 9 1 1 A 22 22 ILE CA C 22 58.700 59.365 -0.665 1
1 268 . 9 1 1 A 22 22 ILE CB C 22 39.800 41.680 -1.880 1
1 272 . 9 1 1 A 22 22 ILE N N 22 120.500 122.334 -1.834 1
1 273 . 9 1 1 A 23 23 ASP H H 23 9.340 9.042 0.298 1
1 274 . 9 1 1 A 23 23 ASP HA H 23 4.570 4.625 -0.055 1
1 277 . 9 1 1 A 23 23 ASP C C 23 178.600 177.106 1.494 1
1 278 . 9 1 1 A 23 23 ASP CA C 23 51.700 54.160 -2.460 1
1 279 . 9 1 1 A 23 23 ASP CB C 23 42.900 42.338 0.562 1
1 280 . 9 1 1 A 23 23 ASP N N 23 128.000 127.198 0.802 1
1 281 . 9 1 1 A 24 24 PHE H H 24 8.860 9.389 -0.529 1
1 282 . 9 1 1 A 24 24 PHE HA H 24 3.960 4.065 -0.105 1
1 290 . 9 1 1 A 24 24 PHE C C 24 175.800 176.913 -1.113 1
1 291 . 9 1 1 A 24 24 PHE CA C 24 61.600 61.647 -0.047 1
1 292 . 9 1 1 A 24 24 PHE CB C 24 41.800 39.362 2.438 1
1 298 . 9 1 1 A 24 24 PHE N N 24 118.500 126.217 -7.717 1
1 299 . 9 1 1 A 25 25 TYR H H 25 8.340 8.281 0.059 1
1 300 . 9 1 1 A 25 25 TYR HA H 25 4.400 4.377 0.023 1
1 307 . 9 1 1 A 25 25 TYR C C 25 175.700 175.759 -0.059 1
1 308 . 9 1 1 A 25 25 TYR CA C 25 59.200 58.473 0.727 1
1 309 . 9 1 1 A 25 25 TYR CB C 25 38.700 38.801 -0.101 1
1 314 . 9 1 1 A 25 25 TYR N N 25 114.500 114.689 -0.189 1
1 315 . 9 1 1 A 26 26 GLY H H 26 8.460 8.268 0.192 1
1 316 . 9 1 1 A 26 26 GLY HA2 H 26 4.230 3.921 0.309 1
1 317 . 9 1 1 A 26 26 GLY HA3 H 26 3.500 3.930 -0.430 1
1 318 . 9 1 1 A 26 26 GLY C C 26 174.700 173.744 0.956 1
1 319 . 9 1 1 A 26 26 GLY CA C 26 45.200 46.417 -1.217 1
1 320 . 9 1 1 A 26 26 GLY N N 26 109.700 109.152 0.548 1
1 321 . 9 1 1 A 27 27 ASP H H 27 8.400 7.822 0.578 1
1 322 . 9 1 1 A 27 27 ASP HA H 27 4.330 5.010 -0.680 1
1 325 . 9 1 1 A 27 27 ASP C C 27 175.700 175.040 0.660 1
1 326 . 9 1 1 A 27 27 ASP CA C 27 56.700 52.482 4.218 1
1 327 . 9 1 1 A 27 27 ASP CB C 27 30.300 43.320 -13.020 1
1 328 . 9 1 1 A 27 27 ASP N N 27 122.700 120.065 2.635 1
1 329 . 9 1 1 A 28 28 GLU H H 28 7.960 8.720 -0.760 1
1 330 . 9 1 1 A 28 28 GLU HA H 28 4.280 4.383 -0.103 1
1 335 . 9 1 1 A 28 28 GLU C C 28 175.200 176.286 -1.086 1
1 336 . 9 1 1 A 28 28 GLU CA C 28 57.400 56.630 0.770 1
1 337 . 9 1 1 A 28 28 GLU CB C 28 30.500 30.178 0.322 1
1 339 . 9 1 1 A 28 28 GLU N N 28 126.100 125.582 0.518 1
1 340 . 9 1 1 A 29 29 VAL H H 29 8.550 9.038 -0.488 1
1 341 . 9 1 1 A 29 29 VAL HA H 29 4.180 4.495 -0.315 1
1 349 . 9 1 1 A 29 29 VAL C C 29 176.000 176.149 -0.149 1
1 350 . 9 1 1 A 29 29 VAL CA C 29 61.500 61.295 0.205 1
1 351 . 9 1 1 A 29 29 VAL CB C 29 32.300 33.074 -0.774 1
1 354 . 9 1 1 A 29 29 VAL N N 29 123.500 125.721 -2.221 1
1 355 . 9 1 1 A 30 30 THR H H 30 9.720 8.939 0.781 1
1 356 . 9 1 1 A 30 30 THR HA H 30 5.010 4.820 0.190 1
1 361 . 9 1 1 A 30 30 THR CA C 30 60.800 60.290 0.510 1
1 362 . 9 1 1 A 30 30 THR CB C 30 68.700 68.822 -0.122 1
1 364 . 9 1 1 A 30 30 THR N N 30 122.300 121.606 0.694 1
1 365 . 9 1 1 A 31 31 PRO HA H 31 4.510 4.534 -0.024 1
1 372 . 9 1 1 A 31 31 PRO C C 31 176.400 177.061 -0.661 1
1 373 . 9 1 1 A 31 31 PRO CA C 31 65.200 64.598 0.602 1
1 374 . 9 1 1 A 31 31 PRO CB C 31 32.600 31.836 0.764 1
1 377 . 9 1 1 A 32 32 VAL H H 32 6.830 8.206 -1.376 1
1 378 . 9 1 1 A 32 32 VAL HA H 32 4.450 4.316 0.134 1
1 386 . 9 1 1 A 32 32 VAL C C 32 175.700 175.011 0.689 1
1 387 . 9 1 1 A 32 32 VAL CA C 32 60.600 61.043 -0.443 1
1 388 . 9 1 1 A 32 32 VAL CB C 32 31.200 31.700 -0.500 1
1 391 . 9 1 1 A 32 32 VAL N N 32 105.600 114.060 -8.460 1
1 392 . 9 1 1 A 33 33 ASP H H 33 7.800 8.049 -0.249 1
1 393 . 9 1 1 A 33 33 ASP HA H 33 4.910 5.006 -0.096 1
1 396 . 9 1 1 A 33 33 ASP C C 33 174.900 175.783 -0.883 1
1 397 . 9 1 1 A 33 33 ASP CA C 33 55.100 53.057 2.043 1
1 398 . 9 1 1 A 33 33 ASP CB C 33 43.900 42.209 1.691 1
1 399 . 9 1 1 A 33 33 ASP N N 33 122.100 122.646 -0.546 1
1 400 . 9 1 1 A 34 34 ASP H H 34 8.810 8.696 0.114 1
1 401 . 9 1 1 A 34 34 ASP HA H 34 5.060 4.889 0.171 1
1 404 . 9 1 1 A 34 34 ASP C C 34 176.500 175.449 1.051 1
1 405 . 9 1 1 A 34 34 ASP CA C 34 53.700 54.367 -0.667 1
1 406 . 9 1 1 A 34 34 ASP CB C 34 41.600 41.238 0.362 1
1 407 . 9 1 1 A 34 34 ASP N N 34 121.800 121.238 0.562 1
1 408 . 9 1 1 A 35 35 TYR H H 35 8.570 8.434 0.136 1
1 409 . 9 1 1 A 35 35 TYR HA H 35 5.220 5.483 -0.263 1
1 416 . 9 1 1 A 35 35 TYR C C 35 171.800 173.047 -1.247 1
1 417 . 9 1 1 A 35 35 TYR CA C 35 56.300 56.004 0.296 1
1 418 . 9 1 1 A 35 35 TYR CB C 35 40.700 41.802 -1.102 1
1 423 . 9 1 1 A 35 35 TYR N N 35 117.900 120.316 -2.416 1
1 424 . 9 1 1 A 36 36 VAL H H 36 9.340 8.792 0.548 1
1 425 . 9 1 1 A 36 36 VAL HA H 36 4.660 4.711 -0.051 1
1 433 . 9 1 1 A 36 36 VAL C C 36 173.300 174.954 -1.654 1
1 434 . 9 1 1 A 36 36 VAL CA C 36 59.300 60.296 -0.996 1
1 435 . 9 1 1 A 36 36 VAL CB C 36 35.100 35.691 -0.591 1
1 438 . 9 1 1 A 36 36 VAL N N 36 120.700 119.368 1.332 1
1 439 . 9 1 1 A 37 37 ILE H H 37 8.820 8.887 -0.067 1
1 440 . 9 1 1 A 37 37 ILE HA H 37 4.820 5.031 -0.211 1
1 450 . 9 1 1 A 37 37 ILE C C 37 175.500 174.157 1.343 1
1 451 . 9 1 1 A 37 37 ILE CA C 37 59.700 59.872 -0.172 1
1 452 . 9 1 1 A 37 37 ILE CB C 37 40.600 38.830 1.770 1
1 456 . 9 1 1 A 37 37 ILE N N 37 124.100 126.916 -2.816 1
1 457 . 9 1 1 A 38 38 ASP H H 38 8.280 8.943 -0.663 1
1 458 . 9 1 1 A 38 38 ASP HA H 38 4.430 4.983 -0.553 1
1 461 . 9 1 1 A 38 38 ASP C C 38 177.000 177.048 -0.048 1
1 462 . 9 1 1 A 38 38 ASP CA C 38 51.400 52.834 -1.434 1
1 463 . 9 1 1 A 38 38 ASP CB C 38 41.200 41.132 0.068 1
1 464 . 9 1 1 A 38 38 ASP N N 38 126.600 127.210 -0.610 1
1 465 . 9 1 1 A 39 39 GLY H H 39 8.910 8.578 0.332 1
1 466 . 9 1 1 A 39 39 GLY HA2 H 39 3.640 3.983 -0.343 1
1 467 . 9 1 1 A 39 39 GLY HA3 H 39 3.850 3.998 -0.148 1
1 468 . 9 1 1 A 39 39 GLY C C 39 174.500 175.054 -0.554 1
1 469 . 9 1 1 A 39 39 GLY CA C 39 47.600 45.250 2.350 1
1 470 . 9 1 1 A 39 39 GLY N N 39 114.900 114.615 0.285 1
1 471 . 9 1 1 A 40 40 GLY H H 40 8.220 8.608 -0.388 1
1 472 . 9 1 1 A 40 40 GLY HA2 H 40 3.900 4.076 -0.176 1
1 473 . 9 1 1 A 40 40 GLY HA3 H 40 3.900 4.082 -0.182 1
1 474 . 9 1 1 A 40 40 GLY C C 40 173.900 174.736 -0.836 1
1 475 . 9 1 1 A 40 40 GLY CA C 40 45.000 45.355 -0.355 1
1 476 . 9 1 1 A 40 40 GLY N N 40 112.200 107.666 4.534 1
1 477 . 9 1 1 A 41 41 GLU H H 41 7.770 7.895 -0.125 1
1 478 . 9 1 1 A 41 41 GLU HA H 41 4.750 4.681 0.069 1
1 483 . 9 1 1 A 41 41 GLU C C 41 174.800 175.699 -0.899 1
1 484 . 9 1 1 A 41 41 GLU CA C 41 54.300 55.132 -0.832 1
1 485 . 9 1 1 A 41 41 GLU CB C 41 30.300 31.284 -0.984 1
1 487 . 9 1 1 A 41 41 GLU N N 41 120.200 119.940 0.260 1
1 488 . 9 1 1 A 42 42 ILE H H 42 8.720 8.384 0.336 1
1 489 . 9 1 1 A 42 42 ILE HA H 42 4.780 4.696 0.084 1
1 499 . 9 1 1 A 42 42 ILE C C 42 174.800 175.178 -0.378 1
1 500 . 9 1 1 A 42 42 ILE CA C 42 59.200 60.100 -0.900 1
1 501 . 9 1 1 A 42 42 ILE CB C 42 40.300 39.543 0.757 1
1 505 . 9 1 1 A 42 42 ILE N N 42 122.000 121.768 0.232 1
1 506 . 9 1 1 A 43 43 ILE H H 43 9.230 9.326 -0.096 1
1 507 . 9 1 1 A 43 43 ILE HA H 43 4.480 5.106 -0.626 1
1 517 . 9 1 1 A 43 43 ILE C C 43 176.400 175.707 0.693 1
1 518 . 9 1 1 A 43 43 ILE CA C 43 61.000 60.005 0.995 1
1 519 . 9 1 1 A 43 43 ILE CB C 43 42.300 40.903 1.397 1
1 523 . 9 1 1 A 43 43 ILE N N 43 126.400 126.709 -0.309 1
1 524 . 9 1 1 A 44 44 LEU H H 44 10.930 8.929 2.001 1
1 525 . 9 1 1 A 44 44 LEU HA H 44 4.280 4.263 0.017 1
1 535 . 9 1 1 A 44 44 LEU C C 44 179.300 178.217 1.083 1
1 536 . 9 1 1 A 44 44 LEU CA C 44 56.500 56.261 0.239 1
1 537 . 9 1 1 A 44 44 LEU CB C 44 42.600 43.245 -0.645 1
1 541 . 9 1 1 A 44 44 LEU N N 44 130.900 129.121 1.779 1
1 542 . 9 1 1 A 45 45 ARG H H 45 8.610 9.054 -0.444 1
1 543 . 9 1 1 A 45 45 ARG HA H 45 3.890 4.066 -0.176 1
1 551 . 9 1 1 A 45 45 ARG C C 45 179.300 178.483 0.817 1
1 552 . 9 1 1 A 45 45 ARG CA C 45 60.200 58.965 1.235 1
1 553 . 9 1 1 A 45 45 ARG CB C 45 29.400 29.831 -0.431 1
1 556 . 9 1 1 A 45 45 ARG N N 45 125.400 126.877 -1.477 1
1 558 . 9 1 1 A 46 46 GLU H H 46 9.020 7.983 1.037 1
1 559 . 9 1 1 A 46 46 GLU HA H 46 4.210 4.078 0.132 1
1 564 . 9 1 1 A 46 46 GLU C C 46 176.700 178.135 -1.435 1
1 565 . 9 1 1 A 46 46 GLU CA C 46 59.000 59.207 -0.207 1
1 566 . 9 1 1 A 46 46 GLU CB C 46 29.600 29.592 0.008 1
1 568 . 9 1 1 A 46 46 GLU N N 46 117.500 119.498 -1.998 1
1 569 . 9 1 1 A 47 47 ASN H H 47 7.870 7.545 0.325 1
1 570 . 9 1 1 A 47 47 ASN HA H 47 5.100 4.805 0.295 1
1 573 . 9 1 1 A 47 47 ASN C C 47 175.200 176.430 -1.230 1
1 574 . 9 1 1 A 47 47 ASN CA C 47 52.800 52.575 0.225 1
1 575 . 9 1 1 A 47 47 ASN CB C 47 40.500 38.367 2.133 1
1 576 . 9 1 1 A 47 47 ASN N N 47 115.900 117.773 -1.873 1
1 577 . 9 1 1 A 48 48 LEU H H 48 7.760 7.302 0.458 1
1 578 . 9 1 1 A 48 48 LEU HA H 48 4.060 4.063 -0.003 1
1 588 . 9 1 1 A 48 48 LEU C C 48 177.200 178.346 -1.146 1
1 589 . 9 1 1 A 48 48 LEU CA C 48 59.000 57.633 1.367 1
1 590 . 9 1 1 A 48 48 LEU CB C 48 42.800 41.976 0.824 1
1 594 . 9 1 1 A 48 48 LEU N N 48 122.300 120.741 1.559 1
1 595 . 9 1 1 A 49 49 GLU H H 49 8.770 8.348 0.422 1
1 596 . 9 1 1 A 49 49 GLU HA H 49 3.670 3.959 -0.289 1
1 601 . 9 1 1 A 49 49 GLU C C 49 176.200 178.877 -2.677 1
1 602 . 9 1 1 A 49 49 GLU CA C 49 61.300 59.966 1.334 1
1 603 . 9 1 1 A 49 49 GLU CB C 49 28.200 29.447 -1.247 1
1 605 . 9 1 1 A 49 49 GLU N N 49 118.800 119.322 -0.522 1
1 606 . 9 1 1 A 50 50 ARG H H 50 8.000 8.149 -0.149 1
1 607 . 9 1 1 A 50 50 ARG HA H 50 3.860 4.103 -0.243 1
1 615 . 9 1 1 A 50 50 ARG C C 50 174.100 178.846 -4.746 1
1 616 . 9 1 1 A 50 50 ARG CA C 50 60.100 59.279 0.821 1
1 617 . 9 1 1 A 50 50 ARG CB C 50 29.900 30.167 -0.267 1
1 620 . 9 1 1 A 50 50 ARG N N 50 119.100 119.374 -0.274 1
1 622 . 9 1 1 A 51 51 TYR H H 51 8.250 8.559 -0.309 1
1 623 . 9 1 1 A 51 51 TYR HA H 51 4.610 4.232 0.378 1
1 630 . 9 1 1 A 51 51 TYR C C 51 178.500 177.630 0.870 1
1 631 . 9 1 1 A 51 51 TYR CA C 51 61.700 60.897 0.803 1
1 632 . 9 1 1 A 51 51 TYR CB C 51 40.000 38.793 1.207 1
1 637 . 9 1 1 A 51 51 TYR N N 51 120.400 121.048 -0.648 1
1 638 . 9 1 1 A 52 52 LEU H H 52 9.030 8.764 0.266 1
1 639 . 9 1 1 A 52 52 LEU HA H 52 3.690 3.977 -0.287 1
1 649 . 9 1 1 A 52 52 LEU C C 52 180.000 178.959 1.041 1
1 650 . 9 1 1 A 52 52 LEU CA C 52 57.600 57.367 0.233 1
1 651 . 9 1 1 A 52 52 LEU CB C 52 40.800 41.263 -0.463 1
1 655 . 9 1 1 A 52 52 LEU N N 52 118.300 120.015 -1.715 1
1 656 . 9 1 1 A 53 53 ARG H H 53 8.530 7.762 0.768 1
1 657 . 9 1 1 A 53 53 ARG HA H 53 4.820 3.993 0.827 1
1 665 . 9 1 1 A 53 53 ARG C C 53 179.100 178.447 0.653 1
1 666 . 9 1 1 A 53 53 ARG CA C 53 59.300 59.211 0.089 1
1 667 . 9 1 1 A 53 53 ARG CB C 53 31.900 29.441 2.459 1
1 670 . 9 1 1 A 53 53 ARG N N 53 119.400 120.799 -1.399 1
1 672 . 9 1 1 A 54 54 GLU H H 54 9.090 7.785 1.305 1
1 673 . 9 1 1 A 54 54 GLU HA H 54 4.100 4.304 -0.204 1
1 678 . 9 1 1 A 54 54 GLU C C 54 178.700 178.431 0.269 1
1 679 . 9 1 1 A 54 54 GLU CA C 54 59.300 58.306 0.994 1
1 680 . 9 1 1 A 54 54 GLU CB C 54 31.000 30.529 0.471 1
1 682 . 9 1 1 A 54 54 GLU N N 54 116.700 117.856 -1.156 1
1 683 . 9 1 1 A 55 55 GLN H H 55 8.760 7.686 1.074 1
1 684 . 9 1 1 A 55 55 GLN HA H 55 4.290 4.318 -0.028 1
1 691 . 9 1 1 A 55 55 GLN C C 55 177.700 176.543 1.157 1
1 692 . 9 1 1 A 55 55 GLN CA C 55 55.800 55.505 0.295 1
1 693 . 9 1 1 A 55 55 GLN CB C 55 28.000 29.701 -1.701 1
1 695 . 9 1 1 A 55 55 GLN N N 55 113.900 115.735 -1.835 1
1 697 . 9 1 1 A 56 56 LEU H H 56 6.650 8.225 -1.575 1
1 698 . 9 1 1 A 56 56 LEU HA H 56 4.700 3.961 0.739 1
1 708 . 9 1 1 A 56 56 LEU C C 56 178.000 175.769 2.231 1
1 709 . 9 1 1 A 56 56 LEU CA C 56 55.300 55.920 -0.620 1
1 710 . 9 1 1 A 56 56 LEU CB C 56 43.800 41.251 2.549 1
1 714 . 9 1 1 A 56 56 LEU N N 56 116.200 120.712 -4.512 1
1 715 . 9 1 1 A 57 57 GLY H H 57 7.160 8.141 -0.981 1
1 716 . 9 1 1 A 57 57 GLY HA2 H 57 4.070 3.495 0.575 1
1 717 . 9 1 1 A 57 57 GLY HA3 H 57 4.070 3.750 0.320 1
1 718 . 9 1 1 A 57 57 GLY C C 57 175.000 173.852 1.148 1
1 719 . 9 1 1 A 57 57 GLY CA C 57 46.900 45.294 1.606 1
1 720 . 9 1 1 A 57 57 GLY N N 57 109.000 104.890 4.110 1
1 721 . 9 1 1 A 58 58 PHE H H 58 8.480 7.441 1.039 1
1 722 . 9 1 1 A 58 58 PHE HA H 58 4.690 4.601 0.089 1
1 730 . 9 1 1 A 58 58 PHE C C 58 175.700 174.745 0.955 1
1 731 . 9 1 1 A 58 58 PHE CA C 58 57.900 58.013 -0.113 1
1 732 . 9 1 1 A 58 58 PHE CB C 58 39.500 40.362 -0.862 1
1 738 . 9 1 1 A 58 58 PHE N N 58 123.100 120.232 2.868 1
1 739 . 9 1 1 A 59 59 GLU H H 59 8.440 8.942 -0.502 1
1 740 . 9 1 1 A 59 59 GLU HA H 59 4.820 4.690 0.130 1
1 745 . 9 1 1 A 59 59 GLU C C 59 174.700 175.460 -0.760 1
1 746 . 9 1 1 A 59 59 GLU CA C 59 54.600 55.314 -0.714 1
1 747 . 9 1 1 A 59 59 GLU CB C 59 32.800 30.351 2.449 1
1 749 . 9 1 1 A 59 59 GLU N N 59 118.600 124.437 -5.837 1
1 750 . 9 1 1 A 60 60 PHE H H 60 9.110 9.205 -0.095 1
1 751 . 9 1 1 A 60 60 PHE HA H 60 4.470 4.805 -0.335 1
1 759 . 9 1 1 A 60 60 PHE C C 60 175.100 174.706 0.394 1
1 760 . 9 1 1 A 60 60 PHE CA C 60 58.100 57.356 0.744 1
1 761 . 9 1 1 A 60 60 PHE CB C 60 39.900 38.403 1.497 1
1 767 . 9 1 1 A 60 60 PHE N N 60 124.300 128.968 -4.668 1
1 768 . 9 1 1 A 61 61 LYS H H 61 8.510 8.296 0.214 1
1 769 . 9 1 1 A 61 61 LYS HA H 61 4.360 4.934 -0.574 1
1 778 . 9 1 1 A 61 61 LYS C C 61 174.700 175.487 -0.787 1
1 779 . 9 1 1 A 61 61 LYS CA C 61 53.800 54.672 -0.872 1
1 780 . 9 1 1 A 61 61 LYS CB C 61 31.300 34.301 -3.001 1
1 784 . 9 1 1 A 61 61 LYS N N 61 124.900 126.687 -1.787 1
1 785 . 9 1 1 A 62 62 ASN H H 62 8.400 8.691 -0.291 1
1 786 . 9 1 1 A 62 62 ASN HA H 62 4.910 5.060 -0.150 1
1 789 . 9 1 1 A 62 62 ASN C C 62 175.500 175.628 -0.128 1
1 790 . 9 1 1 A 62 62 ASN CA C 62 52.400 51.427 0.973 1
1 791 . 9 1 1 A 62 62 ASN CB C 62 39.400 40.871 -1.471 1
1 792 . 9 1 1 A 62 62 ASN N N 62 121.800 116.681 5.119 1
1 793 . 9 1 1 A 63 63 ALA H H 63 8.960 8.726 0.234 1
1 794 . 9 1 1 A 63 63 ALA HA H 63 4.170 3.998 0.172 1
1 798 . 9 1 1 A 63 63 ALA C C 63 178.200 177.801 0.399 1
1 799 . 9 1 1 A 63 63 ALA CA C 63 53.300 55.114 -1.814 1
1 800 . 9 1 1 A 63 63 ALA CB C 63 19.300 18.514 0.786 1
1 801 . 9 1 1 A 63 63 ALA N N 63 126.200 121.756 4.444 1
1 802 . 9 1 1 A 64 64 GLN H H 64 8.570 8.027 0.543 1
1 803 . 9 1 1 A 64 64 GLN HA H 64 4.280 4.007 0.273 1
1 810 . 9 1 1 A 64 64 GLN C C 64 176.200 176.015 0.185 1
1 811 . 9 1 1 A 64 64 GLN CA C 64 56.300 56.498 -0.198 1
1 812 . 9 1 1 A 64 64 GLN CB C 64 29.400 27.215 2.185 1
1 814 . 9 1 1 A 64 64 GLN N N 64 119.900 117.063 2.837 1
1 816 . 9 1 1 A 65 65 LEU H H 65 8.080 7.880 0.200 1
1 817 . 9 1 1 A 65 65 LEU HA H 65 4.320 4.430 -0.110 1
1 827 . 9 1 1 A 65 65 LEU C C 65 177.200 175.605 1.595 1
1 828 . 9 1 1 A 65 65 LEU CA C 65 55.300 54.501 0.799 1
1 829 . 9 1 1 A 65 65 LEU CB C 65 42.700 41.836 0.864 1
1 833 . 9 1 1 A 65 65 LEU N N 65 121.700 121.059 0.641 1
1 834 . 9 1 1 A 66 66 GLU H H 66 8.290 8.810 -0.520 1
1 835 . 9 1 1 A 66 66 GLU HA H 66 4.190 4.487 -0.297 1
1 840 . 9 1 1 A 66 66 GLU C C 66 176.300 175.348 0.952 1
1 841 . 9 1 1 A 66 66 GLU CA C 66 56.800 56.028 0.772 1
1 842 . 9 1 1 A 66 66 GLU CB C 66 30.400 28.582 1.818 1
1 844 . 9 1 1 A 66 66 GLU N N 66 120.400 128.492 -8.092 1
1 845 . 9 1 1 A 67 67 HIS H H 67 8.280 8.380 -0.100 1
1 846 . 9 1 1 A 67 67 HIS HA H 67 4.620 5.261 -0.641 1
1 850 . 9 1 1 A 67 67 HIS C C 67 173.900 174.076 -0.176 1
1 851 . 9 1 1 A 67 67 HIS CA C 67 55.900 53.705 2.195 1
1 852 . 9 1 1 A 67 67 HIS CB C 67 30.100 32.184 -2.084 1
1 854 . 9 1 1 A 67 67 HIS N N 67 119.300 126.296 -6.996 1
1 855 . 9 1 1 A 68 68 HIS H H 68 8.180 8.559 -0.379 1
1 856 . 9 1 1 A 68 68 HIS HA H 68 4.440 4.362 0.078 1
1 859 . 9 1 1 A 68 68 HIS CA C 68 57.300 56.331 0.969 1
1 860 . 9 1 1 A 68 68 HIS CB C 68 30.200 30.624 -0.424 1
1 861 . 9 1 1 A 68 68 HIS N N 68 125.300 125.074 0.226 1
1 2 . 10 1 1 A 2 2 VAL H H 2 8.100 8.571 -0.471 1
1 3 . 10 1 1 A 2 2 VAL HA H 2 4.090 3.732 0.358 1
1 5 . 10 1 1 A 2 2 VAL C C 2 176.500 175.051 1.449 1
1 6 . 10 1 1 A 2 2 VAL CA C 2 62.300 63.701 -1.401 1
1 7 . 10 1 1 A 2 2 VAL CB C 2 32.700 29.414 3.286 1
1 8 . 10 1 1 A 2 2 VAL N N 2 124.800 118.246 6.554 1
1 9 . 10 1 1 A 3 3 GLU H H 3 8.500 8.072 0.428 1
1 10 . 10 1 1 A 3 3 GLU HA H 3 4.280 4.349 -0.069 1
1 15 . 10 1 1 A 3 3 GLU C C 3 175.900 176.321 -0.421 1
1 16 . 10 1 1 A 3 3 GLU CA C 3 56.500 56.907 -0.407 1
1 17 . 10 1 1 A 3 3 GLU CB C 3 30.400 30.219 0.181 1
1 19 . 10 1 1 A 3 3 GLU N N 3 124.200 121.262 2.938 1
1 20 . 10 1 1 A 4 4 ASN H H 4 8.500 8.893 -0.393 1
1 21 . 10 1 1 A 4 4 ASN HA H 4 4.970 5.017 -0.047 1
1 26 . 10 1 1 A 4 4 ASN CA C 4 51.200 51.063 0.137 1
1 27 . 10 1 1 A 4 4 ASN CB C 4 39.000 40.673 -1.673 1
1 28 . 10 1 1 A 4 4 ASN N N 4 120.700 121.942 -1.242 1
1 30 . 10 1 1 A 5 5 PRO HA H 5 4.390 4.367 0.023 1
1 37 . 10 1 1 A 5 5 PRO C C 5 176.800 177.101 -0.301 1
1 38 . 10 1 1 A 5 5 PRO CA C 5 63.500 65.055 -1.555 1
1 39 . 10 1 1 A 5 5 PRO CB C 5 32.200 31.840 0.360 1
1 42 . 10 1 1 A 6 6 MET H H 6 8.300 8.027 0.273 1
1 43 . 10 1 1 A 6 6 MET HA H 6 4.400 4.543 -0.143 1
1 51 . 10 1 1 A 6 6 MET C C 6 176.200 174.434 1.766 1
1 52 . 10 1 1 A 6 6 MET CA C 6 55.800 54.522 1.278 1
1 53 . 10 1 1 A 6 6 MET CB C 6 32.600 31.700 0.900 1
1 56 . 10 1 1 A 6 6 MET N N 6 119.400 116.049 3.351 1
1 57 . 10 1 1 A 7 7 VAL H H 7 7.980 7.908 0.072 1
1 58 . 10 1 1 A 7 7 VAL HA H 7 4.080 4.714 -0.634 1
1 66 . 10 1 1 A 7 7 VAL C C 7 175.800 175.108 0.692 1
1 67 . 10 1 1 A 7 7 VAL CA C 7 62.400 60.294 2.106 1
1 68 . 10 1 1 A 7 7 VAL CB C 7 32.800 35.877 -3.077 1
1 71 . 10 1 1 A 7 7 VAL N N 7 121.500 124.136 -2.636 1
1 72 . 10 1 1 A 8 8 ILE H H 8 8.140 8.340 -0.200 1
1 73 . 10 1 1 A 8 8 ILE HA H 8 4.120 4.072 0.048 1
1 83 . 10 1 1 A 8 8 ILE C C 8 175.800 175.623 0.177 1
1 84 . 10 1 1 A 8 8 ILE CA C 8 60.900 61.475 -0.575 1
1 85 . 10 1 1 A 8 8 ILE CB C 8 38.600 38.551 0.049 1
1 89 . 10 1 1 A 8 8 ILE N N 8 124.500 123.455 1.045 1
1 90 . 10 1 1 A 9 9 ASN H H 9 8.450 8.601 -0.151 1
1 91 . 10 1 1 A 9 9 ASN HA H 9 4.630 4.588 0.042 1
1 96 . 10 1 1 A 9 9 ASN C C 9 174.700 174.887 -0.187 1
1 97 . 10 1 1 A 9 9 ASN CA C 9 53.200 53.914 -0.714 1
1 98 . 10 1 1 A 9 9 ASN CB C 9 39.000 38.528 0.472 1
1 99 . 10 1 1 A 9 9 ASN N N 9 122.700 121.431 1.269 1
1 101 . 10 1 1 A 10 10 ASN H H 10 8.320 8.742 -0.422 1
1 102 . 10 1 1 A 10 10 ASN HA H 10 4.680 4.866 -0.186 1
1 107 . 10 1 1 A 10 10 ASN C C 10 175.000 176.455 -1.455 1
1 108 . 10 1 1 A 10 10 ASN CA C 10 53.100 53.458 -0.358 1
1 109 . 10 1 1 A 10 10 ASN CB C 10 38.700 40.310 -1.610 1
1 110 . 10 1 1 A 10 10 ASN N N 10 119.600 122.395 -2.795 1
1 112 . 10 1 1 A 11 11 TRP H H 11 8.060 8.956 -0.896 1
1 113 . 10 1 1 A 11 11 TRP HA H 11 4.550 4.259 0.291 1
1 122 . 10 1 1 A 11 11 TRP C C 11 176.200 176.405 -0.205 1
1 123 . 10 1 1 A 11 11 TRP CA C 11 57.800 61.059 -3.259 1
1 124 . 10 1 1 A 11 11 TRP CB C 11 29.300 29.805 -0.505 1
1 130 . 10 1 1 A 11 11 TRP N N 11 121.200 126.050 -4.850 1
1 132 . 10 1 1 A 12 12 HIS H H 12 7.980 8.066 -0.086 1
1 133 . 10 1 1 A 12 12 HIS HA H 12 4.410 4.674 -0.264 1
1 137 . 10 1 1 A 12 12 HIS C C 12 174.400 176.045 -1.645 1
1 138 . 10 1 1 A 12 12 HIS CA C 12 56.200 55.710 0.490 1
1 139 . 10 1 1 A 12 12 HIS CB C 12 29.600 30.393 -0.793 1
1 141 . 10 1 1 A 12 12 HIS N N 12 119.900 117.005 2.895 1
1 142 . 10 1 1 A 13 13 ASP H H 13 8.130 9.184 -1.054 1
1 143 . 10 1 1 A 13 13 ASP HA H 13 4.470 4.308 0.162 1
1 146 . 10 1 1 A 13 13 ASP C C 13 176.100 176.967 -0.867 1
1 147 . 10 1 1 A 13 13 ASP CA C 13 54.700 55.277 -0.577 1
1 148 . 10 1 1 A 13 13 ASP CB C 13 41.100 40.591 0.509 1
1 149 . 10 1 1 A 13 13 ASP N N 13 120.600 123.266 -2.666 1
1 150 . 10 1 1 A 14 14 LYS H H 14 8.150 8.048 0.102 1
1 151 . 10 1 1 A 14 14 LYS HA H 14 4.270 4.311 -0.041 1
1 160 . 10 1 1 A 14 14 LYS C C 14 176.600 176.948 -0.348 1
1 161 . 10 1 1 A 14 14 LYS CA C 14 56.500 56.563 -0.063 1
1 162 . 10 1 1 A 14 14 LYS CB C 14 32.900 32.430 0.470 1
1 166 . 10 1 1 A 14 14 LYS N N 14 120.900 118.449 2.451 1
1 167 . 10 1 1 A 15 15 LEU H H 15 8.220 8.055 0.165 1
1 168 . 10 1 1 A 15 15 LEU HA H 15 4.360 4.134 0.226 1
1 178 . 10 1 1 A 15 15 LEU C C 15 177.600 176.938 0.662 1
1 179 . 10 1 1 A 15 15 LEU CA C 15 55.600 56.275 -0.675 1
1 180 . 10 1 1 A 15 15 LEU CB C 15 42.200 42.895 -0.695 1
1 184 . 10 1 1 A 15 15 LEU N N 15 122.500 121.167 1.333 1
1 185 . 10 1 1 A 16 16 THR H H 16 8.090 7.370 0.720 1
1 186 . 10 1 1 A 16 16 THR HA H 16 4.340 4.842 -0.502 1
1 191 . 10 1 1 A 16 16 THR C C 16 174.700 173.729 0.971 1
1 192 . 10 1 1 A 16 16 THR CA C 16 61.700 59.999 1.701 1
1 193 . 10 1 1 A 16 16 THR CB C 16 70.000 71.960 -1.960 1
1 195 . 10 1 1 A 16 16 THR N N 16 113.800 108.219 5.581 1
1 196 . 10 1 1 A 17 17 GLU H H 17 8.400 8.698 -0.298 1
1 197 . 10 1 1 A 17 17 GLU HA H 17 4.330 4.281 0.049 1
1 202 . 10 1 1 A 17 17 GLU C C 17 176.500 177.222 -0.722 1
1 203 . 10 1 1 A 17 17 GLU CA C 17 56.900 57.385 -0.485 1
1 204 . 10 1 1 A 17 17 GLU CB C 17 30.200 29.993 0.207 1
1 206 . 10 1 1 A 17 17 GLU N N 17 122.700 120.743 1.957 1
1 207 . 10 1 1 A 18 18 THR H H 18 8.040 8.534 -0.494 1
1 208 . 10 1 1 A 18 18 THR HA H 18 4.350 4.226 0.124 1
1 213 . 10 1 1 A 18 18 THR C C 18 174.000 175.892 -1.892 1
1 214 . 10 1 1 A 18 18 THR CA C 18 61.700 65.772 -4.072 1
1 215 . 10 1 1 A 18 18 THR CB C 18 69.800 69.010 0.790 1
1 217 . 10 1 1 A 18 18 THR N N 18 113.600 117.121 -3.521 1
1 218 . 10 1 1 A 19 19 ASP H H 19 8.290 8.464 -0.174 1
1 219 . 10 1 1 A 19 19 ASP HA H 19 4.640 4.502 0.138 1
1 222 . 10 1 1 A 19 19 ASP C C 19 175.500 175.231 0.269 1
1 223 . 10 1 1 A 19 19 ASP CA C 19 54.500 54.016 0.484 1
1 224 . 10 1 1 A 19 19 ASP CB C 19 41.200 39.515 1.685 1
1 225 . 10 1 1 A 19 19 ASP N N 19 122.900 116.637 6.263 1
1 226 . 10 1 1 A 20 20 VAL H H 20 7.900 7.638 0.262 1
1 227 . 10 1 1 A 20 20 VAL HA H 20 4.200 4.281 -0.081 1
1 235 . 10 1 1 A 20 20 VAL C C 20 175.400 174.565 0.835 1
1 236 . 10 1 1 A 20 20 VAL CA C 20 61.900 61.397 0.503 1
1 237 . 10 1 1 A 20 20 VAL CB C 20 33.500 32.682 0.818 1
1 240 . 10 1 1 A 20 20 VAL N N 20 119.900 119.934 -0.034 1
1 241 . 10 1 1 A 21 21 GLN H H 21 8.490 8.529 -0.039 1
1 242 . 10 1 1 A 21 21 GLN HA H 21 4.510 4.919 -0.409 1
1 249 . 10 1 1 A 21 21 GLN C C 21 173.800 174.394 -0.594 1
1 250 . 10 1 1 A 21 21 GLN CA C 21 54.700 54.215 0.485 1
1 251 . 10 1 1 A 21 21 GLN CB C 21 31.600 31.430 0.170 1
1 253 . 10 1 1 A 21 21 GLN N N 21 124.800 124.784 0.016 1
1 255 . 10 1 1 A 22 22 ILE H H 22 8.070 8.713 -0.643 1
1 256 . 10 1 1 A 22 22 ILE HA H 22 4.820 4.842 -0.022 1
1 266 . 10 1 1 A 22 22 ILE C C 22 175.500 175.571 -0.071 1
1 267 . 10 1 1 A 22 22 ILE CA C 22 58.700 59.318 -0.618 1
1 268 . 10 1 1 A 22 22 ILE CB C 22 39.800 41.257 -1.457 1
1 272 . 10 1 1 A 22 22 ILE N N 22 120.500 123.078 -2.578 1
1 273 . 10 1 1 A 23 23 ASP H H 23 9.340 8.570 0.770 1
1 274 . 10 1 1 A 23 23 ASP HA H 23 4.570 4.913 -0.343 1
1 277 . 10 1 1 A 23 23 ASP C C 23 178.600 176.444 2.156 1
1 278 . 10 1 1 A 23 23 ASP CA C 23 51.700 52.734 -1.034 1
1 279 . 10 1 1 A 23 23 ASP CB C 23 42.900 41.449 1.451 1
1 280 . 10 1 1 A 23 23 ASP N N 23 128.000 124.731 3.269 1
1 281 . 10 1 1 A 24 24 PHE H H 24 8.860 8.519 0.341 1
1 282 . 10 1 1 A 24 24 PHE HA H 24 3.960 4.044 -0.084 1
1 290 . 10 1 1 A 24 24 PHE C C 24 175.800 177.022 -1.222 1
1 291 . 10 1 1 A 24 24 PHE CA C 24 61.600 60.272 1.328 1
1 292 . 10 1 1 A 24 24 PHE CB C 24 41.800 38.856 2.944 1
1 298 . 10 1 1 A 24 24 PHE N N 24 118.500 119.247 -0.747 1
1 299 . 10 1 1 A 25 25 TYR H H 25 8.340 8.115 0.225 1
1 300 . 10 1 1 A 25 25 TYR HA H 25 4.400 4.487 -0.087 1
1 307 . 10 1 1 A 25 25 TYR C C 25 175.700 175.936 -0.236 1
1 308 . 10 1 1 A 25 25 TYR CA C 25 59.200 58.301 0.899 1
1 309 . 10 1 1 A 25 25 TYR CB C 25 38.700 38.617 0.083 1
1 314 . 10 1 1 A 25 25 TYR N N 25 114.500 114.746 -0.246 1
1 315 . 10 1 1 A 26 26 GLY H H 26 8.460 7.869 0.591 1
1 316 . 10 1 1 A 26 26 GLY HA2 H 26 4.230 3.945 0.285 1
1 317 . 10 1 1 A 26 26 GLY HA3 H 26 3.500 3.950 -0.450 1
1 318 . 10 1 1 A 26 26 GLY C C 26 174.700 174.309 0.391 1
1 319 . 10 1 1 A 26 26 GLY CA C 26 45.200 46.112 -0.912 1
1 320 . 10 1 1 A 26 26 GLY N N 26 109.700 108.800 0.900 1
1 321 . 10 1 1 A 27 27 ASP H H 27 8.400 7.872 0.528 1
1 322 . 10 1 1 A 27 27 ASP HA H 27 4.330 4.788 -0.458 1
1 325 . 10 1 1 A 27 27 ASP C C 27 175.700 175.738 -0.038 1
1 326 . 10 1 1 A 27 27 ASP CA C 27 56.700 55.350 1.350 1
1 327 . 10 1 1 A 27 27 ASP CB C 27 30.300 41.157 -10.857 1
1 328 . 10 1 1 A 27 27 ASP N N 27 122.700 120.775 1.925 1
1 329 . 10 1 1 A 28 28 GLU H H 28 7.960 7.703 0.257 1
1 330 . 10 1 1 A 28 28 GLU HA H 28 4.280 4.558 -0.278 1
1 335 . 10 1 1 A 28 28 GLU C C 28 175.200 173.958 1.242 1
1 336 . 10 1 1 A 28 28 GLU CA C 28 57.400 56.211 1.189 1
1 337 . 10 1 1 A 28 28 GLU CB C 28 30.500 32.996 -2.496 1
1 339 . 10 1 1 A 28 28 GLU N N 28 126.100 117.862 8.238 1
1 340 . 10 1 1 A 29 29 VAL H H 29 8.550 8.560 -0.010 1
1 341 . 10 1 1 A 29 29 VAL HA H 29 4.180 4.422 -0.242 1
1 349 . 10 1 1 A 29 29 VAL C C 29 176.000 176.030 -0.030 1
1 350 . 10 1 1 A 29 29 VAL CA C 29 61.500 61.334 0.166 1
1 351 . 10 1 1 A 29 29 VAL CB C 29 32.300 31.878 0.422 1
1 354 . 10 1 1 A 29 29 VAL N N 29 123.500 127.074 -3.574 1
1 355 . 10 1 1 A 30 30 THR H H 30 9.720 8.768 0.952 1
1 356 . 10 1 1 A 30 30 THR HA H 30 5.010 4.849 0.161 1
1 361 . 10 1 1 A 30 30 THR CA C 30 60.800 60.277 0.523 1
1 362 . 10 1 1 A 30 30 THR CB C 30 68.700 68.664 0.036 1
1 364 . 10 1 1 A 30 30 THR N N 30 122.300 121.032 1.268 1
1 365 . 10 1 1 A 31 31 PRO HA H 31 4.510 4.575 -0.065 1
1 372 . 10 1 1 A 31 31 PRO C C 31 176.400 177.114 -0.714 1
1 373 . 10 1 1 A 31 31 PRO CA C 31 65.200 63.983 1.217 1
1 374 . 10 1 1 A 31 31 PRO CB C 31 32.600 31.224 1.376 1
1 377 . 10 1 1 A 32 32 VAL H H 32 6.830 7.983 -1.153 1
1 378 . 10 1 1 A 32 32 VAL HA H 32 4.450 4.547 -0.097 1
1 386 . 10 1 1 A 32 32 VAL C C 32 175.700 174.342 1.358 1
1 387 . 10 1 1 A 32 32 VAL CA C 32 60.600 60.590 0.010 1
1 388 . 10 1 1 A 32 32 VAL CB C 32 31.200 32.010 -0.810 1
1 391 . 10 1 1 A 32 32 VAL N N 32 105.600 114.995 -9.395 1
1 392 . 10 1 1 A 33 33 ASP H H 33 7.800 7.613 0.187 1
1 393 . 10 1 1 A 33 33 ASP HA H 33 4.910 5.126 -0.216 1
1 396 . 10 1 1 A 33 33 ASP C C 33 174.900 174.308 0.592 1
1 397 . 10 1 1 A 33 33 ASP CA C 33 55.100 52.703 2.397 1
1 398 . 10 1 1 A 33 33 ASP CB C 33 43.900 45.058 -1.158 1
1 399 . 10 1 1 A 33 33 ASP N N 33 122.100 122.762 -0.662 1
1 400 . 10 1 1 A 34 34 ASP H H 34 8.810 8.622 0.188 1
1 401 . 10 1 1 A 34 34 ASP HA H 34 5.060 5.457 -0.397 1
1 404 . 10 1 1 A 34 34 ASP C C 34 176.500 174.843 1.657 1
1 405 . 10 1 1 A 34 34 ASP CA C 34 53.700 52.866 0.834 1
1 406 . 10 1 1 A 34 34 ASP CB C 34 41.600 42.749 -1.149 1
1 407 . 10 1 1 A 34 34 ASP N N 34 121.800 120.877 0.923 1
1 408 . 10 1 1 A 35 35 TYR H H 35 8.570 8.561 0.009 1
1 409 . 10 1 1 A 35 35 TYR HA H 35 5.220 5.473 -0.253 1
1 416 . 10 1 1 A 35 35 TYR C C 35 171.800 173.013 -1.213 1
1 417 . 10 1 1 A 35 35 TYR CA C 35 56.300 56.013 0.287 1
1 418 . 10 1 1 A 35 35 TYR CB C 35 40.700 41.880 -1.180 1
1 423 . 10 1 1 A 35 35 TYR N N 35 117.900 119.525 -1.625 1
1 424 . 10 1 1 A 36 36 VAL H H 36 9.340 8.939 0.401 1
1 425 . 10 1 1 A 36 36 VAL HA H 36 4.660 4.710 -0.050 1
1 433 . 10 1 1 A 36 36 VAL C C 36 173.300 174.962 -1.662 1
1 434 . 10 1 1 A 36 36 VAL CA C 36 59.300 60.602 -1.302 1
1 435 . 10 1 1 A 36 36 VAL CB C 36 35.100 36.200 -1.100 1
1 438 . 10 1 1 A 36 36 VAL N N 36 120.700 119.356 1.344 1
1 439 . 10 1 1 A 37 37 ILE H H 37 8.820 8.925 -0.105 1
1 440 . 10 1 1 A 37 37 ILE HA H 37 4.820 4.957 -0.137 1
1 450 . 10 1 1 A 37 37 ILE C C 37 175.500 173.932 1.568 1
1 451 . 10 1 1 A 37 37 ILE CA C 37 59.700 60.017 -0.317 1
1 452 . 10 1 1 A 37 37 ILE CB C 37 40.600 38.767 1.833 1
1 456 . 10 1 1 A 37 37 ILE N N 37 124.100 127.225 -3.125 1
1 457 . 10 1 1 A 38 38 ASP H H 38 8.280 9.069 -0.789 1
1 458 . 10 1 1 A 38 38 ASP HA H 38 4.430 5.090 -0.660 1
1 461 . 10 1 1 A 38 38 ASP C C 38 177.000 175.856 1.144 1
1 462 . 10 1 1 A 38 38 ASP CA C 38 51.400 52.517 -1.117 1
1 463 . 10 1 1 A 38 38 ASP CB C 38 41.200 42.023 -0.823 1
1 464 . 10 1 1 A 38 38 ASP N N 38 126.600 127.674 -1.074 1
1 465 . 10 1 1 A 39 39 GLY H H 39 8.910 8.933 -0.023 1
1 466 . 10 1 1 A 39 39 GLY HA2 H 39 3.640 3.903 -0.263 1
1 467 . 10 1 1 A 39 39 GLY HA3 H 39 3.850 3.907 -0.057 1
1 468 . 10 1 1 A 39 39 GLY C C 39 174.500 175.307 -0.807 1
1 469 . 10 1 1 A 39 39 GLY CA C 39 47.600 46.771 0.829 1
1 470 . 10 1 1 A 39 39 GLY N N 39 114.900 113.897 1.003 1
1 471 . 10 1 1 A 40 40 GLY H H 40 8.220 8.620 -0.400 1
1 472 . 10 1 1 A 40 40 GLY HA2 H 40 3.900 3.895 0.005 1
1 473 . 10 1 1 A 40 40 GLY HA3 H 40 3.900 3.896 0.004 1
1 474 . 10 1 1 A 40 40 GLY C C 40 173.900 173.664 0.236 1
1 475 . 10 1 1 A 40 40 GLY CA C 40 45.000 45.378 -0.378 1
1 476 . 10 1 1 A 40 40 GLY N N 40 112.200 106.904 5.296 1
1 477 . 10 1 1 A 41 41 GLU H H 41 7.770 7.931 -0.161 1
1 478 . 10 1 1 A 41 41 GLU HA H 41 4.750 4.747 0.003 1
1 483 . 10 1 1 A 41 41 GLU C C 41 174.800 176.052 -1.252 1
1 484 . 10 1 1 A 41 41 GLU CA C 41 54.300 55.077 -0.777 1
1 485 . 10 1 1 A 41 41 GLU CB C 41 30.300 31.897 -1.597 1
1 487 . 10 1 1 A 41 41 GLU N N 41 120.200 119.743 0.457 1
1 488 . 10 1 1 A 42 42 ILE H H 42 8.720 8.655 0.065 1
1 489 . 10 1 1 A 42 42 ILE HA H 42 4.780 4.685 0.095 1
1 499 . 10 1 1 A 42 42 ILE C C 42 174.800 175.098 -0.298 1
1 500 . 10 1 1 A 42 42 ILE CA C 42 59.200 61.196 -1.996 1
1 501 . 10 1 1 A 42 42 ILE CB C 42 40.300 38.038 2.262 1
1 505 . 10 1 1 A 42 42 ILE N N 42 122.000 123.833 -1.833 1
1 506 . 10 1 1 A 43 43 ILE H H 43 9.230 9.034 0.196 1
1 507 . 10 1 1 A 43 43 ILE HA H 43 4.480 4.644 -0.164 1
1 517 . 10 1 1 A 43 43 ILE C C 43 176.400 175.383 1.017 1
1 518 . 10 1 1 A 43 43 ILE CA C 43 61.000 60.256 0.744 1
1 519 . 10 1 1 A 43 43 ILE CB C 43 42.300 41.714 0.586 1
1 523 . 10 1 1 A 43 43 ILE N N 43 126.400 126.629 -0.229 1
1 524 . 10 1 1 A 44 44 LEU H H 44 10.930 8.793 2.137 1
1 525 . 10 1 1 A 44 44 LEU HA H 44 4.280 4.307 -0.027 1
1 535 . 10 1 1 A 44 44 LEU C C 44 179.300 178.267 1.033 1
1 536 . 10 1 1 A 44 44 LEU CA C 44 56.500 55.923 0.577 1
1 537 . 10 1 1 A 44 44 LEU CB C 44 42.600 43.472 -0.872 1
1 541 . 10 1 1 A 44 44 LEU N N 44 130.900 128.934 1.966 1
1 542 . 10 1 1 A 45 45 ARG H H 45 8.610 8.993 -0.383 1
1 543 . 10 1 1 A 45 45 ARG HA H 45 3.890 4.192 -0.302 1
1 551 . 10 1 1 A 45 45 ARG C C 45 179.300 178.364 0.936 1
1 552 . 10 1 1 A 45 45 ARG CA C 45 60.200 58.660 1.540 1
1 553 . 10 1 1 A 45 45 ARG CB C 45 29.400 29.991 -0.591 1
1 556 . 10 1 1 A 45 45 ARG N N 45 125.400 126.543 -1.143 1
1 558 . 10 1 1 A 46 46 GLU H H 46 9.020 7.932 1.088 1
1 559 . 10 1 1 A 46 46 GLU HA H 46 4.210 4.117 0.093 1
1 564 . 10 1 1 A 46 46 GLU C C 46 176.700 177.516 -0.816 1
1 565 . 10 1 1 A 46 46 GLU CA C 46 59.000 59.145 -0.145 1
1 566 . 10 1 1 A 46 46 GLU CB C 46 29.600 29.886 -0.286 1
1 568 . 10 1 1 A 46 46 GLU N N 46 117.500 119.825 -2.325 1
1 569 . 10 1 1 A 47 47 ASN H H 47 7.870 7.926 -0.056 1
1 570 . 10 1 1 A 47 47 ASN HA H 47 5.100 5.024 0.076 1
1 573 . 10 1 1 A 47 47 ASN C C 47 175.200 175.926 -0.726 1
1 574 . 10 1 1 A 47 47 ASN CA C 47 52.800 51.699 1.101 1
1 575 . 10 1 1 A 47 47 ASN CB C 47 40.500 39.267 1.233 1
1 576 . 10 1 1 A 47 47 ASN N N 47 115.900 116.710 -0.810 1
1 577 . 10 1 1 A 48 48 LEU H H 48 7.760 7.681 0.079 1
1 578 . 10 1 1 A 48 48 LEU HA H 48 4.060 4.242 -0.182 1
1 588 . 10 1 1 A 48 48 LEU C C 48 177.200 178.679 -1.479 1
1 589 . 10 1 1 A 48 48 LEU CA C 48 59.000 57.841 1.159 1
1 590 . 10 1 1 A 48 48 LEU CB C 48 42.800 42.142 0.658 1
1 594 . 10 1 1 A 48 48 LEU N N 48 122.300 123.218 -0.918 1
1 595 . 10 1 1 A 49 49 GLU H H 49 8.770 8.389 0.381 1
1 596 . 10 1 1 A 49 49 GLU HA H 49 3.670 3.972 -0.302 1
1 601 . 10 1 1 A 49 49 GLU C C 49 176.200 179.221 -3.021 1
1 602 . 10 1 1 A 49 49 GLU CA C 49 61.300 59.841 1.459 1
1 603 . 10 1 1 A 49 49 GLU CB C 49 28.200 29.352 -1.152 1
1 605 . 10 1 1 A 49 49 GLU N N 49 118.800 119.216 -0.416 1
1 606 . 10 1 1 A 50 50 ARG H H 50 8.000 7.742 0.258 1
1 607 . 10 1 1 A 50 50 ARG HA H 50 3.860 4.245 -0.385 1
1 615 . 10 1 1 A 50 50 ARG C C 50 174.100 178.496 -4.396 1
1 616 . 10 1 1 A 50 50 ARG CA C 50 60.100 57.453 2.647 1
1 617 . 10 1 1 A 50 50 ARG CB C 50 29.900 30.021 -0.121 1
1 620 . 10 1 1 A 50 50 ARG N N 50 119.100 118.732 0.368 1
1 622 . 10 1 1 A 51 51 TYR H H 51 8.250 8.260 -0.010 1
1 623 . 10 1 1 A 51 51 TYR HA H 51 4.610 4.127 0.483 1
1 630 . 10 1 1 A 51 51 TYR C C 51 178.500 177.252 1.248 1
1 631 . 10 1 1 A 51 51 TYR CA C 51 61.700 61.015 0.685 1
1 632 . 10 1 1 A 51 51 TYR CB C 51 40.000 38.573 1.427 1
1 637 . 10 1 1 A 51 51 TYR N N 51 120.400 122.671 -2.271 1
1 638 . 10 1 1 A 52 52 LEU H H 52 9.030 8.301 0.729 1
1 639 . 10 1 1 A 52 52 LEU HA H 52 3.690 3.860 -0.170 1
1 649 . 10 1 1 A 52 52 LEU C C 52 180.000 179.035 0.965 1
1 650 . 10 1 1 A 52 52 LEU CA C 52 57.600 57.390 0.210 1
1 651 . 10 1 1 A 52 52 LEU CB C 52 40.800 41.428 -0.628 1
1 655 . 10 1 1 A 52 52 LEU N N 52 118.300 119.261 -0.961 1
1 656 . 10 1 1 A 53 53 ARG H H 53 8.530 7.825 0.705 1
1 657 . 10 1 1 A 53 53 ARG HA H 53 4.820 3.922 0.898 1
1 665 . 10 1 1 A 53 53 ARG C C 53 179.100 178.452 0.648 1
1 666 . 10 1 1 A 53 53 ARG CA C 53 59.300 59.192 0.108 1
1 667 . 10 1 1 A 53 53 ARG CB C 53 31.900 29.487 2.413 1
1 670 . 10 1 1 A 53 53 ARG N N 53 119.400 120.831 -1.431 1
1 672 . 10 1 1 A 54 54 GLU H H 54 9.090 7.690 1.400 1
1 673 . 10 1 1 A 54 54 GLU HA H 54 4.100 4.134 -0.034 1
1 678 . 10 1 1 A 54 54 GLU C C 54 178.700 178.104 0.596 1
1 679 . 10 1 1 A 54 54 GLU CA C 54 59.300 58.560 0.740 1
1 680 . 10 1 1 A 54 54 GLU CB C 54 31.000 30.271 0.729 1
1 682 . 10 1 1 A 54 54 GLU N N 54 116.700 118.654 -1.954 1
1 683 . 10 1 1 A 55 55 GLN H H 55 8.760 7.857 0.903 1
1 684 . 10 1 1 A 55 55 GLN HA H 55 4.290 3.996 0.294 1
1 691 . 10 1 1 A 55 55 GLN C C 55 177.700 175.688 2.012 1
1 692 . 10 1 1 A 55 55 GLN CA C 55 55.800 57.707 -1.907 1
1 693 . 10 1 1 A 55 55 GLN CB C 55 28.000 29.188 -1.188 1
1 695 . 10 1 1 A 55 55 GLN N N 55 113.900 119.604 -5.704 1
1 697 . 10 1 1 A 56 56 LEU H H 56 6.650 7.937 -1.287 1
1 698 . 10 1 1 A 56 56 LEU HA H 56 4.700 3.942 0.758 1
1 708 . 10 1 1 A 56 56 LEU C C 56 178.000 177.074 0.926 1
1 709 . 10 1 1 A 56 56 LEU CA C 56 55.300 56.001 -0.701 1
1 710 . 10 1 1 A 56 56 LEU CB C 56 43.800 41.544 2.256 1
1 714 . 10 1 1 A 56 56 LEU N N 56 116.200 119.783 -3.583 1
1 715 . 10 1 1 A 57 57 GLY H H 57 7.160 8.107 -0.947 1
1 716 . 10 1 1 A 57 57 GLY HA2 H 57 4.070 3.482 0.588 1
1 717 . 10 1 1 A 57 57 GLY HA3 H 57 4.070 3.800 0.270 1
1 718 . 10 1 1 A 57 57 GLY C C 57 175.000 174.014 0.986 1
1 719 . 10 1 1 A 57 57 GLY CA C 57 46.900 44.882 2.018 1
1 720 . 10 1 1 A 57 57 GLY N N 57 109.000 105.870 3.130 1
1 721 . 10 1 1 A 58 58 PHE H H 58 8.480 8.036 0.444 1
1 722 . 10 1 1 A 58 58 PHE HA H 58 4.690 4.308 0.382 1
1 730 . 10 1 1 A 58 58 PHE C C 58 175.700 174.515 1.185 1
1 731 . 10 1 1 A 58 58 PHE CA C 58 57.900 59.370 -1.470 1
1 732 . 10 1 1 A 58 58 PHE CB C 58 39.500 37.328 2.172 1
1 738 . 10 1 1 A 58 58 PHE N N 58 123.100 116.047 7.053 1
1 739 . 10 1 1 A 59 59 GLU H H 59 8.440 8.636 -0.196 1
1 740 . 10 1 1 A 59 59 GLU HA H 59 4.820 4.719 0.101 1
1 745 . 10 1 1 A 59 59 GLU C C 59 174.700 174.998 -0.298 1
1 746 . 10 1 1 A 59 59 GLU CA C 59 54.600 54.610 -0.010 1
1 747 . 10 1 1 A 59 59 GLU CB C 59 32.800 30.974 1.826 1
1 749 . 10 1 1 A 59 59 GLU N N 59 118.600 122.935 -4.335 1
1 750 . 10 1 1 A 60 60 PHE H H 60 9.110 9.034 0.076 1
1 751 . 10 1 1 A 60 60 PHE HA H 60 4.470 4.899 -0.429 1
1 759 . 10 1 1 A 60 60 PHE C C 60 175.100 174.761 0.339 1
1 760 . 10 1 1 A 60 60 PHE CA C 60 58.100 57.756 0.344 1
1 761 . 10 1 1 A 60 60 PHE CB C 60 39.900 38.728 1.172 1
1 767 . 10 1 1 A 60 60 PHE N N 60 124.300 126.784 -2.484 1
1 768 . 10 1 1 A 61 61 LYS H H 61 8.510 8.847 -0.337 1
1 769 . 10 1 1 A 61 61 LYS HA H 61 4.360 4.660 -0.300 1
1 778 . 10 1 1 A 61 61 LYS C C 61 174.700 176.329 -1.629 1
1 779 . 10 1 1 A 61 61 LYS CA C 61 53.800 55.287 -1.487 1
1 780 . 10 1 1 A 61 61 LYS CB C 61 31.300 32.674 -1.374 1
1 784 . 10 1 1 A 61 61 LYS N N 61 124.900 126.094 -1.194 1
1 785 . 10 1 1 A 62 62 ASN H H 62 8.400 8.850 -0.450 1
1 786 . 10 1 1 A 62 62 ASN HA H 62 4.910 4.950 -0.040 1
1 789 . 10 1 1 A 62 62 ASN C C 62 175.500 174.765 0.735 1
1 790 . 10 1 1 A 62 62 ASN CA C 62 52.400 51.801 0.599 1
1 791 . 10 1 1 A 62 62 ASN CB C 62 39.400 37.387 2.013 1
1 792 . 10 1 1 A 62 62 ASN N N 62 121.800 125.080 -3.280 1
1 793 . 10 1 1 A 63 63 ALA H H 63 8.960 8.279 0.681 1
1 794 . 10 1 1 A 63 63 ALA HA H 63 4.170 4.068 0.102 1
1 798 . 10 1 1 A 63 63 ALA C C 63 178.200 176.555 1.645 1
1 799 . 10 1 1 A 63 63 ALA CA C 63 53.300 53.961 -0.661 1
1 800 . 10 1 1 A 63 63 ALA CB C 63 19.300 17.773 1.527 1
1 801 . 10 1 1 A 63 63 ALA N N 63 126.200 119.698 6.502 1
1 802 . 10 1 1 A 64 64 GLN H H 64 8.570 8.472 0.098 1
1 803 . 10 1 1 A 64 64 GLN HA H 64 4.280 3.919 0.361 1
1 810 . 10 1 1 A 64 64 GLN C C 64 176.200 174.683 1.517 1
1 811 . 10 1 1 A 64 64 GLN CA C 64 56.300 57.404 -1.104 1
1 812 . 10 1 1 A 64 64 GLN CB C 64 29.400 26.841 2.559 1
1 814 . 10 1 1 A 64 64 GLN N N 64 119.900 109.643 10.257 1
1 816 . 10 1 1 A 65 65 LEU H H 65 8.080 7.566 0.514 1
1 817 . 10 1 1 A 65 65 LEU HA H 65 4.320 4.446 -0.126 1
1 827 . 10 1 1 A 65 65 LEU C C 65 177.200 175.749 1.451 1
1 828 . 10 1 1 A 65 65 LEU CA C 65 55.300 55.145 0.155 1
1 829 . 10 1 1 A 65 65 LEU CB C 65 42.700 42.176 0.524 1
1 833 . 10 1 1 A 65 65 LEU N N 65 121.700 121.960 -0.260 1
1 834 . 10 1 1 A 66 66 GLU H H 66 8.290 8.922 -0.632 1
1 835 . 10 1 1 A 66 66 GLU HA H 66 4.190 5.036 -0.846 1
1 840 . 10 1 1 A 66 66 GLU C C 66 176.300 174.880 1.420 1
1 841 . 10 1 1 A 66 66 GLU CA C 66 56.800 54.987 1.813 1
1 842 . 10 1 1 A 66 66 GLU CB C 66 30.400 31.874 -1.474 1
1 844 . 10 1 1 A 66 66 GLU N N 66 120.400 127.963 -7.563 1
1 845 . 10 1 1 A 67 67 HIS H H 67 8.280 8.687 -0.407 1
1 846 . 10 1 1 A 67 67 HIS HA H 67 4.620 4.813 -0.193 1
1 850 . 10 1 1 A 67 67 HIS C C 67 173.900 173.737 0.163 1
1 851 . 10 1 1 A 67 67 HIS CA C 67 55.900 54.840 1.060 1
1 852 . 10 1 1 A 67 67 HIS CB C 67 30.100 30.661 -0.561 1
1 854 . 10 1 1 A 67 67 HIS N N 67 119.300 128.147 -8.847 1
1 855 . 10 1 1 A 68 68 HIS H H 68 8.180 8.054 0.126 1
1 856 . 10 1 1 A 68 68 HIS HA H 68 4.440 4.317 0.123 1
1 859 . 10 1 1 A 68 68 HIS CA C 68 57.300 56.142 1.158 1
1 860 . 10 1 1 A 68 68 HIS CB C 68 30.200 30.331 -0.131 1
1 861 . 10 1 1 A 68 68 HIS N N 68 125.300 117.404 7.896 1
1 2 . 11 1 1 A 2 2 VAL H H 2 8.100 8.853 -0.753 1
1 3 . 11 1 1 A 2 2 VAL HA H 2 4.090 4.919 -0.829 1
1 5 . 11 1 1 A 2 2 VAL C C 2 176.500 174.541 1.959 1
1 6 . 11 1 1 A 2 2 VAL CA C 2 62.300 59.407 2.893 1
1 7 . 11 1 1 A 2 2 VAL CB C 2 32.700 34.616 -1.916 1
1 8 . 11 1 1 A 2 2 VAL N N 2 124.800 122.116 2.684 1
1 9 . 11 1 1 A 3 3 GLU H H 3 8.500 8.815 -0.315 1
1 10 . 11 1 1 A 3 3 GLU HA H 3 4.280 4.656 -0.376 1
1 15 . 11 1 1 A 3 3 GLU C C 3 175.900 176.534 -0.634 1
1 16 . 11 1 1 A 3 3 GLU CA C 3 56.500 55.363 1.137 1
1 17 . 11 1 1 A 3 3 GLU CB C 3 30.400 31.774 -1.374 1
1 19 . 11 1 1 A 3 3 GLU N N 3 124.200 123.351 0.849 1
1 20 . 11 1 1 A 4 4 ASN H H 4 8.500 8.761 -0.261 1
1 21 . 11 1 1 A 4 4 ASN HA H 4 4.970 4.652 0.318 1
1 26 . 11 1 1 A 4 4 ASN CA C 4 51.200 55.213 -4.013 1
1 27 . 11 1 1 A 4 4 ASN CB C 4 39.000 37.316 1.684 1
1 28 . 11 1 1 A 4 4 ASN N N 4 120.700 116.809 3.891 1
1 30 . 11 1 1 A 5 5 PRO HA H 5 4.390 4.444 -0.054 1
1 37 . 11 1 1 A 5 5 PRO C C 5 176.800 177.034 -0.234 1
1 38 . 11 1 1 A 5 5 PRO CA C 5 63.500 63.008 0.492 1
1 39 . 11 1 1 A 5 5 PRO CB C 5 32.200 31.559 0.641 1
1 42 . 11 1 1 A 6 6 MET H H 6 8.300 8.366 -0.066 1
1 43 . 11 1 1 A 6 6 MET HA H 6 4.400 4.398 0.002 1
1 51 . 11 1 1 A 6 6 MET C C 6 176.200 176.629 -0.429 1
1 52 . 11 1 1 A 6 6 MET CA C 6 55.800 55.855 -0.055 1
1 53 . 11 1 1 A 6 6 MET CB C 6 32.600 32.376 0.224 1
1 56 . 11 1 1 A 6 6 MET N N 6 119.400 122.784 -3.384 1
1 57 . 11 1 1 A 7 7 VAL H H 7 7.980 8.540 -0.560 1
1 58 . 11 1 1 A 7 7 VAL HA H 7 4.080 4.137 -0.057 1
1 66 . 11 1 1 A 7 7 VAL C C 7 175.800 176.198 -0.398 1
1 67 . 11 1 1 A 7 7 VAL CA C 7 62.400 62.471 -0.071 1
1 68 . 11 1 1 A 7 7 VAL CB C 7 32.800 32.148 0.652 1
1 71 . 11 1 1 A 7 7 VAL N N 7 121.500 124.773 -3.273 1
1 72 . 11 1 1 A 8 8 ILE H H 8 8.140 8.222 -0.082 1
1 73 . 11 1 1 A 8 8 ILE HA H 8 4.120 4.120 0.000 1
1 83 . 11 1 1 A 8 8 ILE C C 8 175.800 175.878 -0.078 1
1 84 . 11 1 1 A 8 8 ILE CA C 8 60.900 60.745 0.155 1
1 85 . 11 1 1 A 8 8 ILE CB C 8 38.600 38.716 -0.116 1
1 89 . 11 1 1 A 8 8 ILE N N 8 124.500 122.185 2.315 1
1 90 . 11 1 1 A 9 9 ASN H H 9 8.450 8.591 -0.141 1
1 91 . 11 1 1 A 9 9 ASN HA H 9 4.630 4.810 -0.180 1
1 96 . 11 1 1 A 9 9 ASN C C 9 174.700 174.152 0.548 1
1 97 . 11 1 1 A 9 9 ASN CA C 9 53.200 52.553 0.647 1
1 98 . 11 1 1 A 9 9 ASN CB C 9 39.000 39.306 -0.306 1
1 99 . 11 1 1 A 9 9 ASN N N 9 122.700 118.947 3.753 1
1 101 . 11 1 1 A 10 10 ASN H H 10 8.320 7.422 0.898 1
1 102 . 11 1 1 A 10 10 ASN HA H 10 4.680 4.439 0.241 1
1 107 . 11 1 1 A 10 10 ASN C C 10 175.000 174.664 0.336 1
1 108 . 11 1 1 A 10 10 ASN CA C 10 53.100 52.339 0.761 1
1 109 . 11 1 1 A 10 10 ASN CB C 10 38.700 37.663 1.037 1
1 110 . 11 1 1 A 10 10 ASN N N 10 119.600 117.802 1.798 1
1 112 . 11 1 1 A 11 11 TRP H H 11 8.060 7.229 0.831 1
1 113 . 11 1 1 A 11 11 TRP HA H 11 4.550 4.055 0.495 1
1 122 . 11 1 1 A 11 11 TRP C C 11 176.200 177.867 -1.667 1
1 123 . 11 1 1 A 11 11 TRP CA C 11 57.800 59.835 -2.035 1
1 124 . 11 1 1 A 11 11 TRP CB C 11 29.300 29.092 0.208 1
1 130 . 11 1 1 A 11 11 TRP N N 11 121.200 123.508 -2.308 1
1 132 . 11 1 1 A 12 12 HIS H H 12 7.980 7.989 -0.009 1
1 133 . 11 1 1 A 12 12 HIS HA H 12 4.410 4.715 -0.305 1
1 137 . 11 1 1 A 12 12 HIS C C 12 174.400 175.676 -1.276 1
1 138 . 11 1 1 A 12 12 HIS CA C 12 56.200 56.939 -0.739 1
1 139 . 11 1 1 A 12 12 HIS CB C 12 29.600 31.808 -2.208 1
1 141 . 11 1 1 A 12 12 HIS N N 12 119.900 112.241 7.659 1
1 142 . 11 1 1 A 13 13 ASP H H 13 8.130 8.529 -0.399 1
1 143 . 11 1 1 A 13 13 ASP HA H 13 4.470 4.492 -0.022 1
1 146 . 11 1 1 A 13 13 ASP C C 13 176.100 176.184 -0.084 1
1 147 . 11 1 1 A 13 13 ASP CA C 13 54.700 56.860 -2.160 1
1 148 . 11 1 1 A 13 13 ASP CB C 13 41.100 40.368 0.732 1
1 149 . 11 1 1 A 13 13 ASP N N 13 120.600 119.891 0.709 1
1 150 . 11 1 1 A 14 14 LYS H H 14 8.150 8.325 -0.175 1
1 151 . 11 1 1 A 14 14 LYS HA H 14 4.270 4.554 -0.284 1
1 160 . 11 1 1 A 14 14 LYS C C 14 176.600 175.656 0.944 1
1 161 . 11 1 1 A 14 14 LYS CA C 14 56.500 55.465 1.035 1
1 162 . 11 1 1 A 14 14 LYS CB C 14 32.900 34.001 -1.101 1
1 166 . 11 1 1 A 14 14 LYS N N 14 120.900 121.121 -0.221 1
1 167 . 11 1 1 A 15 15 LEU H H 15 8.220 7.849 0.371 1
1 168 . 11 1 1 A 15 15 LEU HA H 15 4.360 4.344 0.016 1
1 178 . 11 1 1 A 15 15 LEU C C 15 177.600 175.963 1.637 1
1 179 . 11 1 1 A 15 15 LEU CA C 15 55.600 55.552 0.048 1
1 180 . 11 1 1 A 15 15 LEU CB C 15 42.200 43.077 -0.877 1
1 184 . 11 1 1 A 15 15 LEU N N 15 122.500 122.639 -0.139 1
1 185 . 11 1 1 A 16 16 THR H H 16 8.090 8.437 -0.347 1
1 186 . 11 1 1 A 16 16 THR HA H 16 4.340 4.666 -0.326 1
1 191 . 11 1 1 A 16 16 THR C C 16 174.700 173.396 1.304 1
1 192 . 11 1 1 A 16 16 THR CA C 16 61.700 60.591 1.109 1
1 193 . 11 1 1 A 16 16 THR CB C 16 70.000 69.144 0.856 1
1 195 . 11 1 1 A 16 16 THR N N 16 113.800 116.664 -2.864 1
1 196 . 11 1 1 A 17 17 GLU H H 17 8.400 8.366 0.034 1
1 197 . 11 1 1 A 17 17 GLU HA H 17 4.330 4.533 -0.203 1
1 202 . 11 1 1 A 17 17 GLU C C 17 176.500 176.958 -0.458 1
1 203 . 11 1 1 A 17 17 GLU CA C 17 56.900 55.327 1.573 1
1 204 . 11 1 1 A 17 17 GLU CB C 17 30.200 28.616 1.584 1
1 206 . 11 1 1 A 17 17 GLU N N 17 122.700 121.459 1.241 1
1 207 . 11 1 1 A 18 18 THR H H 18 8.040 8.146 -0.106 1
1 208 . 11 1 1 A 18 18 THR HA H 18 4.350 4.388 -0.038 1
1 213 . 11 1 1 A 18 18 THR C C 18 174.000 174.606 -0.606 1
1 214 . 11 1 1 A 18 18 THR CA C 18 61.700 62.855 -1.155 1
1 215 . 11 1 1 A 18 18 THR CB C 18 69.800 69.378 0.422 1
1 217 . 11 1 1 A 18 18 THR N N 18 113.600 115.615 -2.015 1
1 218 . 11 1 1 A 19 19 ASP H H 19 8.290 8.174 0.116 1
1 219 . 11 1 1 A 19 19 ASP HA H 19 4.640 4.850 -0.210 1
1 222 . 11 1 1 A 19 19 ASP C C 19 175.500 175.596 -0.096 1
1 223 . 11 1 1 A 19 19 ASP CA C 19 54.500 53.359 1.141 1
1 224 . 11 1 1 A 19 19 ASP CB C 19 41.200 41.989 -0.789 1
1 225 . 11 1 1 A 19 19 ASP N N 19 122.900 118.273 4.627 1
1 226 . 11 1 1 A 20 20 VAL H H 20 7.900 7.506 0.394 1
1 227 . 11 1 1 A 20 20 VAL HA H 20 4.200 4.179 0.021 1
1 235 . 11 1 1 A 20 20 VAL C C 20 175.400 175.232 0.168 1
1 236 . 11 1 1 A 20 20 VAL CA C 20 61.900 62.141 -0.241 1
1 237 . 11 1 1 A 20 20 VAL CB C 20 33.500 32.427 1.073 1
1 240 . 11 1 1 A 20 20 VAL N N 20 119.900 120.359 -0.459 1
1 241 . 11 1 1 A 21 21 GLN H H 21 8.490 8.500 -0.010 1
1 242 . 11 1 1 A 21 21 GLN HA H 21 4.510 5.023 -0.513 1
1 249 . 11 1 1 A 21 21 GLN C C 21 173.800 174.123 -0.323 1
1 250 . 11 1 1 A 21 21 GLN CA C 21 54.700 53.504 1.196 1
1 251 . 11 1 1 A 21 21 GLN CB C 21 31.600 32.476 -0.876 1
1 253 . 11 1 1 A 21 21 GLN N N 21 124.800 123.844 0.956 1
1 255 . 11 1 1 A 22 22 ILE H H 22 8.070 8.563 -0.493 1
1 256 . 11 1 1 A 22 22 ILE HA H 22 4.820 4.928 -0.108 1
1 266 . 11 1 1 A 22 22 ILE C C 22 175.500 175.543 -0.043 1
1 267 . 11 1 1 A 22 22 ILE CA C 22 58.700 59.491 -0.791 1
1 268 . 11 1 1 A 22 22 ILE CB C 22 39.800 41.071 -1.271 1
1 272 . 11 1 1 A 22 22 ILE N N 22 120.500 122.697 -2.197 1
1 273 . 11 1 1 A 23 23 ASP H H 23 9.340 8.556 0.784 1
1 274 . 11 1 1 A 23 23 ASP HA H 23 4.570 4.995 -0.425 1
1 277 . 11 1 1 A 23 23 ASP C C 23 178.600 176.287 2.313 1
1 278 . 11 1 1 A 23 23 ASP CA C 23 51.700 52.557 -0.857 1
1 279 . 11 1 1 A 23 23 ASP CB C 23 42.900 41.523 1.377 1
1 280 . 11 1 1 A 23 23 ASP N N 23 128.000 124.648 3.352 1
1 281 . 11 1 1 A 24 24 PHE H H 24 8.860 8.891 -0.031 1
1 282 . 11 1 1 A 24 24 PHE HA H 24 3.960 4.210 -0.250 1
1 290 . 11 1 1 A 24 24 PHE C C 24 175.800 177.641 -1.841 1
1 291 . 11 1 1 A 24 24 PHE CA C 24 61.600 61.030 0.570 1
1 292 . 11 1 1 A 24 24 PHE CB C 24 41.800 39.476 2.324 1
1 298 . 11 1 1 A 24 24 PHE N N 24 118.500 119.367 -0.867 1
1 299 . 11 1 1 A 25 25 TYR H H 25 8.340 8.100 0.240 1
1 300 . 11 1 1 A 25 25 TYR HA H 25 4.400 4.486 -0.086 1
1 307 . 11 1 1 A 25 25 TYR C C 25 175.700 175.927 -0.227 1
1 308 . 11 1 1 A 25 25 TYR CA C 25 59.200 60.735 -1.535 1
1 309 . 11 1 1 A 25 25 TYR CB C 25 38.700 39.441 -0.741 1
1 314 . 11 1 1 A 25 25 TYR N N 25 114.500 119.614 -5.114 1
1 315 . 11 1 1 A 26 26 GLY H H 26 8.460 8.007 0.453 1
1 316 . 11 1 1 A 26 26 GLY HA2 H 26 4.230 3.956 0.274 1
1 317 . 11 1 1 A 26 26 GLY HA3 H 26 3.500 3.989 -0.489 1
1 318 . 11 1 1 A 26 26 GLY C C 26 174.700 174.582 0.118 1
1 319 . 11 1 1 A 26 26 GLY CA C 26 45.200 45.770 -0.570 1
1 320 . 11 1 1 A 26 26 GLY N N 26 109.700 107.199 2.501 1
1 321 . 11 1 1 A 27 27 ASP H H 27 8.400 8.470 -0.070 1
1 322 . 11 1 1 A 27 27 ASP HA H 27 4.330 4.688 -0.358 1
1 325 . 11 1 1 A 27 27 ASP C C 27 175.700 176.080 -0.380 1
1 326 . 11 1 1 A 27 27 ASP CA C 27 56.700 54.454 2.246 1
1 327 . 11 1 1 A 27 27 ASP CB C 27 30.300 41.662 -11.362 1
1 328 . 11 1 1 A 27 27 ASP N N 27 122.700 121.586 1.114 1
1 329 . 11 1 1 A 28 28 GLU H H 28 7.960 8.151 -0.191 1
1 330 . 11 1 1 A 28 28 GLU HA H 28 4.280 4.117 0.163 1
1 335 . 11 1 1 A 28 28 GLU C C 28 175.200 174.905 0.295 1
1 336 . 11 1 1 A 28 28 GLU CA C 28 57.400 57.141 0.259 1
1 337 . 11 1 1 A 28 28 GLU CB C 28 30.500 28.356 2.144 1
1 339 . 11 1 1 A 28 28 GLU N N 28 126.100 118.583 7.517 1
1 340 . 11 1 1 A 29 29 VAL H H 29 8.550 9.146 -0.596 1
1 341 . 11 1 1 A 29 29 VAL HA H 29 4.180 4.663 -0.483 1
1 349 . 11 1 1 A 29 29 VAL C C 29 176.000 175.877 0.123 1
1 350 . 11 1 1 A 29 29 VAL CA C 29 61.500 61.290 0.210 1
1 351 . 11 1 1 A 29 29 VAL CB C 29 32.300 32.875 -0.575 1
1 354 . 11 1 1 A 29 29 VAL N N 29 123.500 125.444 -1.944 1
1 355 . 11 1 1 A 30 30 THR H H 30 9.720 9.168 0.552 1
1 356 . 11 1 1 A 30 30 THR HA H 30 5.010 4.920 0.090 1
1 361 . 11 1 1 A 30 30 THR CA C 30 60.800 59.171 1.629 1
1 362 . 11 1 1 A 30 30 THR CB C 30 68.700 70.031 -1.331 1
1 364 . 11 1 1 A 30 30 THR N N 30 122.300 119.269 3.031 1
1 365 . 11 1 1 A 31 31 PRO HA H 31 4.510 4.428 0.082 1
1 372 . 11 1 1 A 31 31 PRO C C 31 176.400 177.342 -0.942 1
1 373 . 11 1 1 A 31 31 PRO CA C 31 65.200 64.617 0.583 1
1 374 . 11 1 1 A 31 31 PRO CB C 31 32.600 31.956 0.644 1
1 377 . 11 1 1 A 32 32 VAL H H 32 6.830 7.843 -1.013 1
1 378 . 11 1 1 A 32 32 VAL HA H 32 4.450 4.280 0.170 1
1 386 . 11 1 1 A 32 32 VAL C C 32 175.700 175.105 0.595 1
1 387 . 11 1 1 A 32 32 VAL CA C 32 60.600 62.178 -1.578 1
1 388 . 11 1 1 A 32 32 VAL CB C 32 31.200 31.996 -0.796 1
1 391 . 11 1 1 A 32 32 VAL N N 32 105.600 115.267 -9.667 1
1 392 . 11 1 1 A 33 33 ASP H H 33 7.800 8.165 -0.365 1
1 393 . 11 1 1 A 33 33 ASP HA H 33 4.910 5.096 -0.186 1
1 396 . 11 1 1 A 33 33 ASP C C 33 174.900 174.741 0.159 1
1 397 . 11 1 1 A 33 33 ASP CA C 33 55.100 53.192 1.908 1
1 398 . 11 1 1 A 33 33 ASP CB C 33 43.900 43.706 0.194 1
1 399 . 11 1 1 A 33 33 ASP N N 33 122.100 121.434 0.666 1
1 400 . 11 1 1 A 34 34 ASP H H 34 8.810 8.779 0.031 1
1 401 . 11 1 1 A 34 34 ASP HA H 34 5.060 5.271 -0.211 1
1 404 . 11 1 1 A 34 34 ASP C C 34 176.500 175.256 1.244 1
1 405 . 11 1 1 A 34 34 ASP CA C 34 53.700 53.493 0.207 1
1 406 . 11 1 1 A 34 34 ASP CB C 34 41.600 42.234 -0.634 1
1 407 . 11 1 1 A 34 34 ASP N N 34 121.800 122.804 -1.004 1
1 408 . 11 1 1 A 35 35 TYR H H 35 8.570 8.518 0.052 1
1 409 . 11 1 1 A 35 35 TYR HA H 35 5.220 5.270 -0.050 1
1 416 . 11 1 1 A 35 35 TYR C C 35 171.800 172.776 -0.976 1
1 417 . 11 1 1 A 35 35 TYR CA C 35 56.300 56.111 0.189 1
1 418 . 11 1 1 A 35 35 TYR CB C 35 40.700 40.925 -0.225 1
1 423 . 11 1 1 A 35 35 TYR N N 35 117.900 121.121 -3.221 1
1 424 . 11 1 1 A 36 36 VAL H H 36 9.340 8.810 0.530 1
1 425 . 11 1 1 A 36 36 VAL HA H 36 4.660 4.717 -0.057 1
1 433 . 11 1 1 A 36 36 VAL C C 36 173.300 174.656 -1.356 1
1 434 . 11 1 1 A 36 36 VAL CA C 36 59.300 60.145 -0.845 1
1 435 . 11 1 1 A 36 36 VAL CB C 36 35.100 35.415 -0.315 1
1 438 . 11 1 1 A 36 36 VAL N N 36 120.700 119.737 0.963 1
1 439 . 11 1 1 A 37 37 ILE H H 37 8.820 8.902 -0.082 1
1 440 . 11 1 1 A 37 37 ILE HA H 37 4.820 4.919 -0.099 1
1 450 . 11 1 1 A 37 37 ILE C C 37 175.500 174.341 1.159 1
1 451 . 11 1 1 A 37 37 ILE CA C 37 59.700 59.940 -0.240 1
1 452 . 11 1 1 A 37 37 ILE CB C 37 40.600 39.851 0.749 1
1 456 . 11 1 1 A 37 37 ILE N N 37 124.100 127.055 -2.955 1
1 457 . 11 1 1 A 38 38 ASP H H 38 8.280 8.939 -0.659 1
1 458 . 11 1 1 A 38 38 ASP HA H 38 4.430 4.910 -0.480 1
1 461 . 11 1 1 A 38 38 ASP C C 38 177.000 176.602 0.398 1
1 462 . 11 1 1 A 38 38 ASP CA C 38 51.400 52.778 -1.378 1
1 463 . 11 1 1 A 38 38 ASP CB C 38 41.200 40.640 0.560 1
1 464 . 11 1 1 A 38 38 ASP N N 38 126.600 127.223 -0.623 1
1 465 . 11 1 1 A 39 39 GLY H H 39 8.910 8.887 0.023 1
1 466 . 11 1 1 A 39 39 GLY HA2 H 39 3.640 3.823 -0.183 1
1 467 . 11 1 1 A 39 39 GLY HA3 H 39 3.850 3.829 0.021 1
1 468 . 11 1 1 A 39 39 GLY C C 39 174.500 175.268 -0.768 1
1 469 . 11 1 1 A 39 39 GLY CA C 39 47.600 46.774 0.826 1
1 470 . 11 1 1 A 39 39 GLY N N 39 114.900 114.511 0.389 1
1 471 . 11 1 1 A 40 40 GLY H H 40 8.220 8.622 -0.402 1
1 472 . 11 1 1 A 40 40 GLY HA2 H 40 3.900 3.873 0.027 1
1 473 . 11 1 1 A 40 40 GLY HA3 H 40 3.900 3.874 0.026 1
1 474 . 11 1 1 A 40 40 GLY C C 40 173.900 173.628 0.272 1
1 475 . 11 1 1 A 40 40 GLY CA C 40 45.000 45.261 -0.261 1
1 476 . 11 1 1 A 40 40 GLY N N 40 112.200 106.829 5.371 1
1 477 . 11 1 1 A 41 41 GLU H H 41 7.770 7.484 0.286 1
1 478 . 11 1 1 A 41 41 GLU HA H 41 4.750 4.517 0.233 1
1 483 . 11 1 1 A 41 41 GLU C C 41 174.800 175.902 -1.102 1
1 484 . 11 1 1 A 41 41 GLU CA C 41 54.300 55.405 -1.105 1
1 485 . 11 1 1 A 41 41 GLU CB C 41 30.300 30.560 -0.260 1
1 487 . 11 1 1 A 41 41 GLU N N 41 120.200 120.259 -0.059 1
1 488 . 11 1 1 A 42 42 ILE H H 42 8.720 8.613 0.107 1
1 489 . 11 1 1 A 42 42 ILE HA H 42 4.780 4.741 0.039 1
1 499 . 11 1 1 A 42 42 ILE C C 42 174.800 175.251 -0.451 1
1 500 . 11 1 1 A 42 42 ILE CA C 42 59.200 60.504 -1.304 1
1 501 . 11 1 1 A 42 42 ILE CB C 42 40.300 38.612 1.688 1
1 505 . 11 1 1 A 42 42 ILE N N 42 122.000 123.943 -1.943 1
1 506 . 11 1 1 A 43 43 ILE H H 43 9.230 9.437 -0.207 1
1 507 . 11 1 1 A 43 43 ILE HA H 43 4.480 4.663 -0.183 1
1 517 . 11 1 1 A 43 43 ILE C C 43 176.400 175.611 0.789 1
1 518 . 11 1 1 A 43 43 ILE CA C 43 61.000 60.071 0.929 1
1 519 . 11 1 1 A 43 43 ILE CB C 43 42.300 41.258 1.042 1
1 523 . 11 1 1 A 43 43 ILE N N 43 126.400 127.994 -1.594 1
1 524 . 11 1 1 A 44 44 LEU H H 44 10.930 8.408 2.522 1
1 525 . 11 1 1 A 44 44 LEU HA H 44 4.280 4.292 -0.012 1
1 535 . 11 1 1 A 44 44 LEU C C 44 179.300 178.332 0.968 1
1 536 . 11 1 1 A 44 44 LEU CA C 44 56.500 55.852 0.648 1
1 537 . 11 1 1 A 44 44 LEU CB C 44 42.600 43.468 -0.868 1
1 541 . 11 1 1 A 44 44 LEU N N 44 130.900 129.039 1.861 1
1 542 . 11 1 1 A 45 45 ARG H H 45 8.610 9.062 -0.452 1
1 543 . 11 1 1 A 45 45 ARG HA H 45 3.890 4.166 -0.276 1
1 551 . 11 1 1 A 45 45 ARG C C 45 179.300 178.319 0.981 1
1 552 . 11 1 1 A 45 45 ARG CA C 45 60.200 58.667 1.533 1
1 553 . 11 1 1 A 45 45 ARG CB C 45 29.400 29.932 -0.532 1
1 556 . 11 1 1 A 45 45 ARG N N 45 125.400 126.515 -1.115 1
1 558 . 11 1 1 A 46 46 GLU H H 46 9.020 8.128 0.892 1
1 559 . 11 1 1 A 46 46 GLU HA H 46 4.210 4.108 0.102 1
1 564 . 11 1 1 A 46 46 GLU C C 46 176.700 178.329 -1.629 1
1 565 . 11 1 1 A 46 46 GLU CA C 46 59.000 58.832 0.168 1
1 566 . 11 1 1 A 46 46 GLU CB C 46 29.600 29.983 -0.383 1
1 568 . 11 1 1 A 46 46 GLU N N 46 117.500 118.692 -1.192 1
1 569 . 11 1 1 A 47 47 ASN H H 47 7.870 8.031 -0.161 1
1 570 . 11 1 1 A 47 47 ASN HA H 47 5.100 4.811 0.289 1
1 573 . 11 1 1 A 47 47 ASN C C 47 175.200 176.400 -1.200 1
1 574 . 11 1 1 A 47 47 ASN CA C 47 52.800 53.724 -0.924 1
1 575 . 11 1 1 A 47 47 ASN CB C 47 40.500 39.272 1.228 1
1 576 . 11 1 1 A 47 47 ASN N N 47 115.900 115.873 0.027 1
1 577 . 11 1 1 A 48 48 LEU H H 48 7.760 7.598 0.162 1
1 578 . 11 1 1 A 48 48 LEU HA H 48 4.060 4.111 -0.051 1
1 588 . 11 1 1 A 48 48 LEU C C 48 177.200 178.568 -1.368 1
1 589 . 11 1 1 A 48 48 LEU CA C 48 59.000 57.692 1.308 1
1 590 . 11 1 1 A 48 48 LEU CB C 48 42.800 41.444 1.356 1
1 594 . 11 1 1 A 48 48 LEU N N 48 122.300 121.800 0.500 1
1 595 . 11 1 1 A 49 49 GLU H H 49 8.770 8.364 0.406 1
1 596 . 11 1 1 A 49 49 GLU HA H 49 3.670 3.951 -0.281 1
1 601 . 11 1 1 A 49 49 GLU C C 49 176.200 179.291 -3.091 1
1 602 . 11 1 1 A 49 49 GLU CA C 49 61.300 59.910 1.390 1
1 603 . 11 1 1 A 49 49 GLU CB C 49 28.200 29.285 -1.085 1
1 605 . 11 1 1 A 49 49 GLU N N 49 118.800 119.226 -0.426 1
1 606 . 11 1 1 A 50 50 ARG H H 50 8.000 8.122 -0.122 1
1 607 . 11 1 1 A 50 50 ARG HA H 50 3.860 3.994 -0.134 1
1 615 . 11 1 1 A 50 50 ARG C C 50 174.100 178.546 -4.446 1
1 616 . 11 1 1 A 50 50 ARG CA C 50 60.100 58.870 1.230 1
1 617 . 11 1 1 A 50 50 ARG CB C 50 29.900 29.763 0.137 1
1 620 . 11 1 1 A 50 50 ARG N N 50 119.100 120.271 -1.171 1
1 622 . 11 1 1 A 51 51 TYR H H 51 8.250 7.920 0.330 1
1 623 . 11 1 1 A 51 51 TYR HA H 51 4.610 4.086 0.524 1
1 630 . 11 1 1 A 51 51 TYR C C 51 178.500 177.026 1.474 1
1 631 . 11 1 1 A 51 51 TYR CA C 51 61.700 61.232 0.468 1
1 632 . 11 1 1 A 51 51 TYR CB C 51 40.000 38.754 1.246 1
1 637 . 11 1 1 A 51 51 TYR N N 51 120.400 121.372 -0.972 1
1 638 . 11 1 1 A 52 52 LEU H H 52 9.030 8.329 0.701 1
1 639 . 11 1 1 A 52 52 LEU HA H 52 3.690 3.943 -0.253 1
1 649 . 11 1 1 A 52 52 LEU C C 52 180.000 179.364 0.636 1
1 650 . 11 1 1 A 52 52 LEU CA C 52 57.600 57.532 0.068 1
1 651 . 11 1 1 A 52 52 LEU CB C 52 40.800 41.357 -0.557 1
1 655 . 11 1 1 A 52 52 LEU N N 52 118.300 118.511 -0.211 1
1 656 . 11 1 1 A 53 53 ARG H H 53 8.530 7.794 0.736 1
1 657 . 11 1 1 A 53 53 ARG HA H 53 4.820 3.959 0.861 1
1 665 . 11 1 1 A 53 53 ARG C C 53 179.100 178.527 0.573 1
1 666 . 11 1 1 A 53 53 ARG CA C 53 59.300 59.635 -0.335 1
1 667 . 11 1 1 A 53 53 ARG CB C 53 31.900 30.182 1.718 1
1 670 . 11 1 1 A 53 53 ARG N N 53 119.400 120.724 -1.324 1
1 672 . 11 1 1 A 54 54 GLU H H 54 9.090 7.919 1.171 1
1 673 . 11 1 1 A 54 54 GLU HA H 54 4.100 4.311 -0.211 1
1 678 . 11 1 1 A 54 54 GLU C C 54 178.700 177.516 1.184 1
1 679 . 11 1 1 A 54 54 GLU CA C 54 59.300 58.039 1.261 1
1 680 . 11 1 1 A 54 54 GLU CB C 54 31.000 30.385 0.615 1
1 682 . 11 1 1 A 54 54 GLU N N 54 116.700 117.319 -0.619 1
1 683 . 11 1 1 A 55 55 GLN H H 55 8.760 8.042 0.718 1
1 684 . 11 1 1 A 55 55 GLN HA H 55 4.290 4.507 -0.217 1
1 691 . 11 1 1 A 55 55 GLN C C 55 177.700 175.901 1.799 1
1 692 . 11 1 1 A 55 55 GLN CA C 55 55.800 57.840 -2.040 1
1 693 . 11 1 1 A 55 55 GLN CB C 55 28.000 30.549 -2.549 1
1 695 . 11 1 1 A 55 55 GLN N N 55 113.900 118.879 -4.979 1
1 697 . 11 1 1 A 56 56 LEU H H 56 6.650 8.249 -1.599 1
1 698 . 11 1 1 A 56 56 LEU HA H 56 4.700 3.958 0.742 1
1 708 . 11 1 1 A 56 56 LEU C C 56 178.000 175.771 2.229 1
1 709 . 11 1 1 A 56 56 LEU CA C 56 55.300 55.915 -0.615 1
1 710 . 11 1 1 A 56 56 LEU CB C 56 43.800 41.146 2.654 1
1 714 . 11 1 1 A 56 56 LEU N N 56 116.200 119.739 -3.539 1
1 715 . 11 1 1 A 57 57 GLY H H 57 7.160 8.052 -0.892 1
1 716 . 11 1 1 A 57 57 GLY HA2 H 57 4.070 3.567 0.503 1
1 717 . 11 1 1 A 57 57 GLY HA3 H 57 4.070 3.767 0.303 1
1 718 . 11 1 1 A 57 57 GLY C C 57 175.000 174.150 0.850 1
1 719 . 11 1 1 A 57 57 GLY CA C 57 46.900 45.078 1.822 1
1 720 . 11 1 1 A 57 57 GLY N N 57 109.000 104.816 4.184 1
1 721 . 11 1 1 A 58 58 PHE H H 58 8.480 7.028 1.452 1
1 722 . 11 1 1 A 58 58 PHE HA H 58 4.690 4.251 0.439 1
1 730 . 11 1 1 A 58 58 PHE C C 58 175.700 174.874 0.826 1
1 731 . 11 1 1 A 58 58 PHE CA C 58 57.900 58.869 -0.969 1
1 732 . 11 1 1 A 58 58 PHE CB C 58 39.500 38.532 0.968 1
1 738 . 11 1 1 A 58 58 PHE N N 58 123.100 119.761 3.339 1
1 739 . 11 1 1 A 59 59 GLU H H 59 8.440 8.617 -0.177 1
1 740 . 11 1 1 A 59 59 GLU HA H 59 4.820 4.626 0.194 1
1 745 . 11 1 1 A 59 59 GLU C C 59 174.700 175.151 -0.451 1
1 746 . 11 1 1 A 59 59 GLU CA C 59 54.600 55.242 -0.642 1
1 747 . 11 1 1 A 59 59 GLU CB C 59 32.800 30.244 2.556 1
1 749 . 11 1 1 A 59 59 GLU N N 59 118.600 125.204 -6.604 1
1 750 . 11 1 1 A 60 60 PHE H H 60 9.110 9.030 0.080 1
1 751 . 11 1 1 A 60 60 PHE HA H 60 4.470 4.851 -0.381 1
1 759 . 11 1 1 A 60 60 PHE C C 60 175.100 175.040 0.060 1
1 760 . 11 1 1 A 60 60 PHE CA C 60 58.100 57.196 0.904 1
1 761 . 11 1 1 A 60 60 PHE CB C 60 39.900 37.737 2.163 1
1 767 . 11 1 1 A 60 60 PHE N N 60 124.300 127.044 -2.744 1
1 768 . 11 1 1 A 61 61 LYS H H 61 8.510 8.523 -0.013 1
1 769 . 11 1 1 A 61 61 LYS HA H 61 4.360 4.662 -0.302 1
1 778 . 11 1 1 A 61 61 LYS C C 61 174.700 175.230 -0.530 1
1 779 . 11 1 1 A 61 61 LYS CA C 61 53.800 55.595 -1.795 1
1 780 . 11 1 1 A 61 61 LYS CB C 61 31.300 34.061 -2.761 1
1 784 . 11 1 1 A 61 61 LYS N N 61 124.900 124.725 0.175 1
1 785 . 11 1 1 A 62 62 ASN H H 62 8.400 8.783 -0.383 1
1 786 . 11 1 1 A 62 62 ASN HA H 62 4.910 5.143 -0.233 1
1 789 . 11 1 1 A 62 62 ASN C C 62 175.500 175.327 0.173 1
1 790 . 11 1 1 A 62 62 ASN CA C 62 52.400 51.413 0.987 1
1 791 . 11 1 1 A 62 62 ASN CB C 62 39.400 41.696 -2.296 1
1 792 . 11 1 1 A 62 62 ASN N N 62 121.800 117.002 4.798 1
1 793 . 11 1 1 A 63 63 ALA H H 63 8.960 8.726 0.234 1
1 794 . 11 1 1 A 63 63 ALA HA H 63 4.170 4.070 0.100 1
1 798 . 11 1 1 A 63 63 ALA C C 63 178.200 177.986 0.214 1
1 799 . 11 1 1 A 63 63 ALA CA C 63 53.300 55.312 -2.012 1
1 800 . 11 1 1 A 63 63 ALA CB C 63 19.300 18.540 0.760 1
1 801 . 11 1 1 A 63 63 ALA N N 63 126.200 123.525 2.675 1
1 802 . 11 1 1 A 64 64 GLN H H 64 8.570 8.082 0.488 1
1 803 . 11 1 1 A 64 64 GLN HA H 64 4.280 4.148 0.132 1
1 810 . 11 1 1 A 64 64 GLN C C 64 176.200 175.563 0.637 1
1 811 . 11 1 1 A 64 64 GLN CA C 64 56.300 57.903 -1.603 1
1 812 . 11 1 1 A 64 64 GLN CB C 64 29.400 28.571 0.829 1
1 814 . 11 1 1 A 64 64 GLN N N 64 119.900 117.461 2.439 1
1 816 . 11 1 1 A 65 65 LEU H H 65 8.080 8.039 0.041 1
1 817 . 11 1 1 A 65 65 LEU HA H 65 4.320 3.963 0.357 1
1 827 . 11 1 1 A 65 65 LEU C C 65 177.200 175.712 1.488 1
1 828 . 11 1 1 A 65 65 LEU CA C 65 55.300 56.047 -0.747 1
1 829 . 11 1 1 A 65 65 LEU CB C 65 42.700 40.830 1.870 1
1 833 . 11 1 1 A 65 65 LEU N N 65 121.700 120.732 0.968 1
1 834 . 11 1 1 A 66 66 GLU H H 66 8.290 8.519 -0.229 1
1 835 . 11 1 1 A 66 66 GLU HA H 66 4.190 3.923 0.267 1
1 840 . 11 1 1 A 66 66 GLU C C 66 176.300 175.585 0.715 1
1 841 . 11 1 1 A 66 66 GLU CA C 66 56.800 57.962 -1.162 1
1 842 . 11 1 1 A 66 66 GLU CB C 66 30.400 27.870 2.530 1
1 844 . 11 1 1 A 66 66 GLU N N 66 120.400 111.697 8.703 1
1 845 . 11 1 1 A 67 67 HIS H H 67 8.280 8.533 -0.253 1
1 846 . 11 1 1 A 67 67 HIS HA H 67 4.620 4.896 -0.276 1
1 850 . 11 1 1 A 67 67 HIS C C 67 173.900 173.845 0.055 1
1 851 . 11 1 1 A 67 67 HIS CA C 67 55.900 54.762 1.138 1
1 852 . 11 1 1 A 67 67 HIS CB C 67 30.100 29.230 0.870 1
1 854 . 11 1 1 A 67 67 HIS N N 67 119.300 117.976 1.324 1
1 855 . 11 1 1 A 68 68 HIS H H 68 8.180 8.668 -0.488 1
1 856 . 11 1 1 A 68 68 HIS HA H 68 4.440 5.516 -1.076 1
1 859 . 11 1 1 A 68 68 HIS CA C 68 57.300 53.791 3.509 1
1 860 . 11 1 1 A 68 68 HIS CB C 68 30.200 33.387 -3.187 1
1 861 . 11 1 1 A 68 68 HIS N N 68 125.300 117.255 8.045 1
1 2 . 12 1 1 A 2 2 VAL H H 2 8.100 7.294 0.806 1
1 3 . 12 1 1 A 2 2 VAL HA H 2 4.090 4.566 -0.476 1
1 5 . 12 1 1 A 2 2 VAL C C 2 176.500 175.803 0.697 1
1 6 . 12 1 1 A 2 2 VAL CA C 2 62.300 60.844 1.456 1
1 7 . 12 1 1 A 2 2 VAL CB C 2 32.700 31.787 0.913 1
1 8 . 12 1 1 A 2 2 VAL N N 2 124.800 110.894 13.906 1
1 9 . 12 1 1 A 3 3 GLU H H 3 8.500 7.768 0.732 1
1 10 . 12 1 1 A 3 3 GLU HA H 3 4.280 4.628 -0.348 1
1 15 . 12 1 1 A 3 3 GLU C C 3 175.900 175.634 0.266 1
1 16 . 12 1 1 A 3 3 GLU CA C 3 56.500 55.291 1.209 1
1 17 . 12 1 1 A 3 3 GLU CB C 3 30.400 31.499 -1.099 1
1 19 . 12 1 1 A 3 3 GLU N N 3 124.200 122.819 1.381 1
1 20 . 12 1 1 A 4 4 ASN H H 4 8.500 8.464 0.036 1
1 21 . 12 1 1 A 4 4 ASN HA H 4 4.970 5.135 -0.165 1
1 26 . 12 1 1 A 4 4 ASN CA C 4 51.200 50.618 0.582 1
1 27 . 12 1 1 A 4 4 ASN CB C 4 39.000 39.872 -0.872 1
1 28 . 12 1 1 A 4 4 ASN N N 4 120.700 117.822 2.878 1
1 30 . 12 1 1 A 5 5 PRO HA H 5 4.390 4.513 -0.123 1
1 37 . 12 1 1 A 5 5 PRO C C 5 176.800 176.096 0.704 1
1 38 . 12 1 1 A 5 5 PRO CA C 5 63.500 63.873 -0.373 1
1 39 . 12 1 1 A 5 5 PRO CB C 5 32.200 31.770 0.430 1
1 42 . 12 1 1 A 6 6 MET H H 6 8.300 7.894 0.406 1
1 43 . 12 1 1 A 6 6 MET HA H 6 4.400 4.767 -0.367 1
1 51 . 12 1 1 A 6 6 MET C C 6 176.200 176.202 -0.002 1
1 52 . 12 1 1 A 6 6 MET CA C 6 55.800 54.408 1.392 1
1 53 . 12 1 1 A 6 6 MET CB C 6 32.600 33.049 -0.449 1
1 56 . 12 1 1 A 6 6 MET N N 6 119.400 118.773 0.627 1
1 57 . 12 1 1 A 7 7 VAL H H 7 7.980 8.521 -0.541 1
1 58 . 12 1 1 A 7 7 VAL HA H 7 4.080 3.759 0.321 1
1 66 . 12 1 1 A 7 7 VAL C C 7 175.800 177.088 -1.288 1
1 67 . 12 1 1 A 7 7 VAL CA C 7 62.400 66.246 -3.846 1
1 68 . 12 1 1 A 7 7 VAL CB C 7 32.800 31.892 0.908 1
1 71 . 12 1 1 A 7 7 VAL N N 7 121.500 124.478 -2.978 1
1 72 . 12 1 1 A 8 8 ILE H H 8 8.140 7.463 0.677 1
1 73 . 12 1 1 A 8 8 ILE HA H 8 4.120 4.262 -0.142 1
1 83 . 12 1 1 A 8 8 ILE C C 8 175.800 174.558 1.242 1
1 84 . 12 1 1 A 8 8 ILE CA C 8 60.900 60.636 0.264 1
1 85 . 12 1 1 A 8 8 ILE CB C 8 38.600 38.120 0.480 1
1 89 . 12 1 1 A 8 8 ILE N N 8 124.500 121.816 2.684 1
1 90 . 12 1 1 A 9 9 ASN H H 9 8.450 9.033 -0.583 1
1 91 . 12 1 1 A 9 9 ASN HA H 9 4.630 5.255 -0.625 1
1 96 . 12 1 1 A 9 9 ASN C C 9 174.700 175.100 -0.400 1
1 97 . 12 1 1 A 9 9 ASN CA C 9 53.200 53.175 0.025 1
1 98 . 12 1 1 A 9 9 ASN CB C 9 39.000 39.856 -0.856 1
1 99 . 12 1 1 A 9 9 ASN N N 9 122.700 129.317 -6.617 1
1 101 . 12 1 1 A 10 10 ASN H H 10 8.320 8.677 -0.357 1
1 102 . 12 1 1 A 10 10 ASN HA H 10 4.680 5.364 -0.684 1
1 107 . 12 1 1 A 10 10 ASN C C 10 175.000 175.620 -0.620 1
1 108 . 12 1 1 A 10 10 ASN CA C 10 53.100 51.536 1.564 1
1 109 . 12 1 1 A 10 10 ASN CB C 10 38.700 42.374 -3.674 1
1 110 . 12 1 1 A 10 10 ASN N N 10 119.600 121.688 -2.088 1
1 112 . 12 1 1 A 11 11 TRP H H 11 8.060 8.904 -0.844 1
1 113 . 12 1 1 A 11 11 TRP HA H 11 4.550 4.620 -0.070 1
1 122 . 12 1 1 A 11 11 TRP C C 11 176.200 177.082 -0.882 1
1 123 . 12 1 1 A 11 11 TRP CA C 11 57.800 58.964 -1.164 1
1 124 . 12 1 1 A 11 11 TRP CB C 11 29.300 29.216 0.084 1
1 130 . 12 1 1 A 11 11 TRP N N 11 121.200 120.966 0.234 1
1 132 . 12 1 1 A 12 12 HIS H H 12 7.980 8.786 -0.806 1
1 133 . 12 1 1 A 12 12 HIS HA H 12 4.410 4.309 0.101 1
1 137 . 12 1 1 A 12 12 HIS C C 12 174.400 174.768 -0.368 1
1 138 . 12 1 1 A 12 12 HIS CA C 12 56.200 57.842 -1.642 1
1 139 . 12 1 1 A 12 12 HIS CB C 12 29.600 29.805 -0.205 1
1 141 . 12 1 1 A 12 12 HIS N N 12 119.900 114.652 5.248 1
1 142 . 12 1 1 A 13 13 ASP H H 13 8.130 7.750 0.380 1
1 143 . 12 1 1 A 13 13 ASP HA H 13 4.470 4.481 -0.011 1
1 146 . 12 1 1 A 13 13 ASP C C 13 176.100 175.390 0.710 1
1 147 . 12 1 1 A 13 13 ASP CA C 13 54.700 54.610 0.090 1
1 148 . 12 1 1 A 13 13 ASP CB C 13 41.100 41.315 -0.215 1
1 149 . 12 1 1 A 13 13 ASP N N 13 120.600 121.320 -0.720 1
1 150 . 12 1 1 A 14 14 LYS H H 14 8.150 8.713 -0.563 1
1 151 . 12 1 1 A 14 14 LYS HA H 14 4.270 4.482 -0.212 1
1 160 . 12 1 1 A 14 14 LYS C C 14 176.600 175.507 1.093 1
1 161 . 12 1 1 A 14 14 LYS CA C 14 56.500 57.305 -0.805 1
1 162 . 12 1 1 A 14 14 LYS CB C 14 32.900 35.637 -2.737 1
1 166 . 12 1 1 A 14 14 LYS N N 14 120.900 124.765 -3.865 1
1 167 . 12 1 1 A 15 15 LEU H H 15 8.220 8.299 -0.079 1
1 168 . 12 1 1 A 15 15 LEU HA H 15 4.360 4.556 -0.196 1
1 178 . 12 1 1 A 15 15 LEU C C 15 177.600 174.755 2.845 1
1 179 . 12 1 1 A 15 15 LEU CA C 15 55.600 53.343 2.257 1
1 180 . 12 1 1 A 15 15 LEU CB C 15 42.200 42.448 -0.248 1
1 184 . 12 1 1 A 15 15 LEU N N 15 122.500 119.936 2.564 1
1 185 . 12 1 1 A 16 16 THR H H 16 8.090 8.001 0.089 1
1 186 . 12 1 1 A 16 16 THR HA H 16 4.340 4.971 -0.631 1
1 191 . 12 1 1 A 16 16 THR C C 16 174.700 173.928 0.772 1
1 192 . 12 1 1 A 16 16 THR CA C 16 61.700 60.749 0.951 1
1 193 . 12 1 1 A 16 16 THR CB C 16 70.000 69.968 0.032 1
1 195 . 12 1 1 A 16 16 THR N N 16 113.800 112.373 1.427 1
1 196 . 12 1 1 A 17 17 GLU H H 17 8.400 8.924 -0.524 1
1 197 . 12 1 1 A 17 17 GLU HA H 17 4.330 5.035 -0.705 1
1 202 . 12 1 1 A 17 17 GLU C C 17 176.500 175.933 0.567 1
1 203 . 12 1 1 A 17 17 GLU CA C 17 56.900 55.195 1.705 1
1 204 . 12 1 1 A 17 17 GLU CB C 17 30.200 30.754 -0.554 1
1 206 . 12 1 1 A 17 17 GLU N N 17 122.700 125.510 -2.810 1
1 207 . 12 1 1 A 18 18 THR H H 18 8.040 8.544 -0.504 1
1 208 . 12 1 1 A 18 18 THR HA H 18 4.350 4.570 -0.220 1
1 213 . 12 1 1 A 18 18 THR C C 18 174.000 174.269 -0.269 1
1 214 . 12 1 1 A 18 18 THR CA C 18 61.700 63.630 -1.930 1
1 215 . 12 1 1 A 18 18 THR CB C 18 69.800 70.692 -0.892 1
1 217 . 12 1 1 A 18 18 THR N N 18 113.600 117.904 -4.304 1
1 218 . 12 1 1 A 19 19 ASP H H 19 8.290 7.966 0.324 1
1 219 . 12 1 1 A 19 19 ASP HA H 19 4.640 4.750 -0.110 1
1 222 . 12 1 1 A 19 19 ASP C C 19 175.500 175.647 -0.147 1
1 223 . 12 1 1 A 19 19 ASP CA C 19 54.500 53.268 1.232 1
1 224 . 12 1 1 A 19 19 ASP CB C 19 41.200 41.220 -0.020 1
1 225 . 12 1 1 A 19 19 ASP N N 19 122.900 118.513 4.387 1
1 226 . 12 1 1 A 20 20 VAL H H 20 7.900 7.446 0.454 1
1 227 . 12 1 1 A 20 20 VAL HA H 20 4.200 4.560 -0.360 1
1 235 . 12 1 1 A 20 20 VAL C C 20 175.400 174.946 0.454 1
1 236 . 12 1 1 A 20 20 VAL CA C 20 61.900 61.014 0.886 1
1 237 . 12 1 1 A 20 20 VAL CB C 20 33.500 34.157 -0.657 1
1 240 . 12 1 1 A 20 20 VAL N N 20 119.900 119.951 -0.051 1
1 241 . 12 1 1 A 21 21 GLN H H 21 8.490 8.843 -0.353 1
1 242 . 12 1 1 A 21 21 GLN HA H 21 4.510 4.903 -0.393 1
1 249 . 12 1 1 A 21 21 GLN C C 21 173.800 174.729 -0.929 1
1 250 . 12 1 1 A 21 21 GLN CA C 21 54.700 54.180 0.520 1
1 251 . 12 1 1 A 21 21 GLN CB C 21 31.600 31.831 -0.231 1
1 253 . 12 1 1 A 21 21 GLN N N 21 124.800 125.420 -0.620 1
1 255 . 12 1 1 A 22 22 ILE H H 22 8.070 8.610 -0.540 1
1 256 . 12 1 1 A 22 22 ILE HA H 22 4.820 4.665 0.155 1
1 266 . 12 1 1 A 22 22 ILE C C 22 175.500 175.561 -0.061 1
1 267 . 12 1 1 A 22 22 ILE CA C 22 58.700 59.821 -1.121 1
1 268 . 12 1 1 A 22 22 ILE CB C 22 39.800 42.533 -2.733 1
1 272 . 12 1 1 A 22 22 ILE N N 22 120.500 121.108 -0.608 1
1 273 . 12 1 1 A 23 23 ASP H H 23 9.340 8.553 0.787 1
1 274 . 12 1 1 A 23 23 ASP HA H 23 4.570 4.985 -0.415 1
1 277 . 12 1 1 A 23 23 ASP C C 23 178.600 176.416 2.184 1
1 278 . 12 1 1 A 23 23 ASP CA C 23 51.700 52.561 -0.861 1
1 279 . 12 1 1 A 23 23 ASP CB C 23 42.900 41.458 1.442 1
1 280 . 12 1 1 A 23 23 ASP N N 23 128.000 125.786 2.214 1
1 281 . 12 1 1 A 24 24 PHE H H 24 8.860 8.836 0.024 1
1 282 . 12 1 1 A 24 24 PHE HA H 24 3.960 4.127 -0.167 1
1 290 . 12 1 1 A 24 24 PHE C C 24 175.800 177.212 -1.412 1
1 291 . 12 1 1 A 24 24 PHE CA C 24 61.600 60.474 1.126 1
1 292 . 12 1 1 A 24 24 PHE CB C 24 41.800 39.294 2.506 1
1 298 . 12 1 1 A 24 24 PHE N N 24 118.500 119.333 -0.833 1
1 299 . 12 1 1 A 25 25 TYR H H 25 8.340 8.205 0.135 1
1 300 . 12 1 1 A 25 25 TYR HA H 25 4.400 4.298 0.102 1
1 307 . 12 1 1 A 25 25 TYR C C 25 175.700 175.951 -0.251 1
1 308 . 12 1 1 A 25 25 TYR CA C 25 59.200 61.217 -2.017 1
1 309 . 12 1 1 A 25 25 TYR CB C 25 38.700 38.984 -0.284 1
1 314 . 12 1 1 A 25 25 TYR N N 25 114.500 120.102 -5.602 1
1 315 . 12 1 1 A 26 26 GLY H H 26 8.460 7.883 0.577 1
1 316 . 12 1 1 A 26 26 GLY HA2 H 26 4.230 3.854 0.376 1
1 317 . 12 1 1 A 26 26 GLY HA3 H 26 3.500 3.915 -0.415 1
1 318 . 12 1 1 A 26 26 GLY C C 26 174.700 174.292 0.408 1
1 319 . 12 1 1 A 26 26 GLY CA C 26 45.200 45.856 -0.656 1
1 320 . 12 1 1 A 26 26 GLY N N 26 109.700 107.283 2.417 1
1 321 . 12 1 1 A 27 27 ASP H H 27 8.400 7.973 0.427 1
1 322 . 12 1 1 A 27 27 ASP HA H 27 4.330 4.860 -0.530 1
1 325 . 12 1 1 A 27 27 ASP C C 27 175.700 175.455 0.245 1
1 326 . 12 1 1 A 27 27 ASP CA C 27 56.700 55.716 0.984 1
1 327 . 12 1 1 A 27 27 ASP CB C 27 30.300 41.884 -11.584 1
1 328 . 12 1 1 A 27 27 ASP N N 27 122.700 120.550 2.150 1
1 329 . 12 1 1 A 28 28 GLU H H 28 7.960 7.766 0.194 1
1 330 . 12 1 1 A 28 28 GLU HA H 28 4.280 4.637 -0.357 1
1 335 . 12 1 1 A 28 28 GLU C C 28 175.200 174.037 1.163 1
1 336 . 12 1 1 A 28 28 GLU CA C 28 57.400 56.248 1.152 1
1 337 . 12 1 1 A 28 28 GLU CB C 28 30.500 33.160 -2.660 1
1 339 . 12 1 1 A 28 28 GLU N N 28 126.100 117.650 8.450 1
1 340 . 12 1 1 A 29 29 VAL H H 29 8.550 8.803 -0.253 1
1 341 . 12 1 1 A 29 29 VAL HA H 29 4.180 4.866 -0.686 1
1 349 . 12 1 1 A 29 29 VAL C C 29 176.000 175.276 0.724 1
1 350 . 12 1 1 A 29 29 VAL CA C 29 61.500 61.175 0.325 1
1 351 . 12 1 1 A 29 29 VAL CB C 29 32.300 34.095 -1.795 1
1 354 . 12 1 1 A 29 29 VAL N N 29 123.500 124.463 -0.963 1
1 355 . 12 1 1 A 30 30 THR H H 30 9.720 8.760 0.960 1
1 356 . 12 1 1 A 30 30 THR HA H 30 5.010 4.926 0.084 1
1 361 . 12 1 1 A 30 30 THR CA C 30 60.800 58.606 2.194 1
1 362 . 12 1 1 A 30 30 THR CB C 30 68.700 70.045 -1.345 1
1 364 . 12 1 1 A 30 30 THR N N 30 122.300 117.740 4.560 1
1 365 . 12 1 1 A 31 31 PRO HA H 31 4.510 4.565 -0.055 1
1 372 . 12 1 1 A 31 31 PRO C C 31 176.400 177.072 -0.672 1
1 373 . 12 1 1 A 31 31 PRO CA C 31 65.200 64.109 1.091 1
1 374 . 12 1 1 A 31 31 PRO CB C 31 32.600 31.375 1.225 1
1 377 . 12 1 1 A 32 32 VAL H H 32 6.830 8.144 -1.314 1
1 378 . 12 1 1 A 32 32 VAL HA H 32 4.450 4.525 -0.075 1
1 386 . 12 1 1 A 32 32 VAL C C 32 175.700 174.095 1.605 1
1 387 . 12 1 1 A 32 32 VAL CA C 32 60.600 60.848 -0.248 1
1 388 . 12 1 1 A 32 32 VAL CB C 32 31.200 31.951 -0.751 1
1 391 . 12 1 1 A 32 32 VAL N N 32 105.600 114.533 -8.933 1
1 392 . 12 1 1 A 33 33 ASP H H 33 7.800 8.187 -0.387 1
1 393 . 12 1 1 A 33 33 ASP HA H 33 4.910 5.107 -0.197 1
1 396 . 12 1 1 A 33 33 ASP C C 33 174.900 175.011 -0.111 1
1 397 . 12 1 1 A 33 33 ASP CA C 33 55.100 53.145 1.955 1
1 398 . 12 1 1 A 33 33 ASP CB C 33 43.900 44.043 -0.143 1
1 399 . 12 1 1 A 33 33 ASP N N 33 122.100 121.405 0.695 1
1 400 . 12 1 1 A 34 34 ASP H H 34 8.810 8.600 0.210 1
1 401 . 12 1 1 A 34 34 ASP HA H 34 5.060 5.203 -0.143 1
1 404 . 12 1 1 A 34 34 ASP C C 34 176.500 175.019 1.481 1
1 405 . 12 1 1 A 34 34 ASP CA C 34 53.700 53.393 0.307 1
1 406 . 12 1 1 A 34 34 ASP CB C 34 41.600 42.277 -0.677 1
1 407 . 12 1 1 A 34 34 ASP N N 34 121.800 121.655 0.145 1
1 408 . 12 1 1 A 35 35 TYR H H 35 8.570 8.477 0.093 1
1 409 . 12 1 1 A 35 35 TYR HA H 35 5.220 5.412 -0.192 1
1 416 . 12 1 1 A 35 35 TYR C C 35 171.800 173.057 -1.257 1
1 417 . 12 1 1 A 35 35 TYR CA C 35 56.300 56.038 0.262 1
1 418 . 12 1 1 A 35 35 TYR CB C 35 40.700 41.840 -1.140 1
1 423 . 12 1 1 A 35 35 TYR N N 35 117.900 119.658 -1.758 1
1 424 . 12 1 1 A 36 36 VAL H H 36 9.340 8.995 0.345 1
1 425 . 12 1 1 A 36 36 VAL HA H 36 4.660 4.692 -0.032 1
1 433 . 12 1 1 A 36 36 VAL C C 36 173.300 174.686 -1.386 1
1 434 . 12 1 1 A 36 36 VAL CA C 36 59.300 60.581 -1.281 1
1 435 . 12 1 1 A 36 36 VAL CB C 36 35.100 36.253 -1.153 1
1 438 . 12 1 1 A 36 36 VAL N N 36 120.700 119.421 1.279 1
1 439 . 12 1 1 A 37 37 ILE H H 37 8.820 8.902 -0.082 1
1 440 . 12 1 1 A 37 37 ILE HA H 37 4.820 5.023 -0.203 1
1 450 . 12 1 1 A 37 37 ILE C C 37 175.500 173.987 1.513 1
1 451 . 12 1 1 A 37 37 ILE CA C 37 59.700 59.862 -0.162 1
1 452 . 12 1 1 A 37 37 ILE CB C 37 40.600 39.089 1.511 1
1 456 . 12 1 1 A 37 37 ILE N N 37 124.100 127.343 -3.243 1
1 457 . 12 1 1 A 38 38 ASP H H 38 8.280 9.040 -0.760 1
1 458 . 12 1 1 A 38 38 ASP HA H 38 4.430 5.107 -0.677 1
1 461 . 12 1 1 A 38 38 ASP C C 38 177.000 176.824 0.176 1
1 462 . 12 1 1 A 38 38 ASP CA C 38 51.400 53.233 -1.833 1
1 463 . 12 1 1 A 38 38 ASP CB C 38 41.200 41.573 -0.373 1
1 464 . 12 1 1 A 38 38 ASP N N 38 126.600 127.220 -0.620 1
1 465 . 12 1 1 A 39 39 GLY H H 39 8.910 8.390 0.520 1
1 466 . 12 1 1 A 39 39 GLY HA2 H 39 3.640 4.000 -0.360 1
1 467 . 12 1 1 A 39 39 GLY HA3 H 39 3.850 4.134 -0.284 1
1 468 . 12 1 1 A 39 39 GLY C C 39 174.500 174.174 0.326 1
1 469 . 12 1 1 A 39 39 GLY CA C 39 47.600 45.572 2.028 1
1 470 . 12 1 1 A 39 39 GLY N N 39 114.900 114.221 0.679 1
1 471 . 12 1 1 A 40 40 GLY H H 40 8.220 8.403 -0.183 1
1 472 . 12 1 1 A 40 40 GLY HA2 H 40 3.900 4.055 -0.155 1
1 473 . 12 1 1 A 40 40 GLY HA3 H 40 3.900 4.067 -0.167 1
1 474 . 12 1 1 A 40 40 GLY C C 40 173.900 174.579 -0.679 1
1 475 . 12 1 1 A 40 40 GLY CA C 40 45.000 45.532 -0.532 1
1 476 . 12 1 1 A 40 40 GLY N N 40 112.200 107.385 4.815 1
1 477 . 12 1 1 A 41 41 GLU H H 41 7.770 7.483 0.287 1
1 478 . 12 1 1 A 41 41 GLU HA H 41 4.750 4.461 0.289 1
1 483 . 12 1 1 A 41 41 GLU C C 41 174.800 175.826 -1.026 1
1 484 . 12 1 1 A 41 41 GLU CA C 41 54.300 56.242 -1.942 1
1 485 . 12 1 1 A 41 41 GLU CB C 41 30.300 30.807 -0.507 1
1 487 . 12 1 1 A 41 41 GLU N N 41 120.200 120.623 -0.423 1
1 488 . 12 1 1 A 42 42 ILE H H 42 8.720 8.520 0.200 1
1 489 . 12 1 1 A 42 42 ILE HA H 42 4.780 4.724 0.056 1
1 499 . 12 1 1 A 42 42 ILE C C 42 174.800 175.169 -0.369 1
1 500 . 12 1 1 A 42 42 ILE CA C 42 59.200 60.553 -1.353 1
1 501 . 12 1 1 A 42 42 ILE CB C 42 40.300 38.605 1.695 1
1 505 . 12 1 1 A 42 42 ILE N N 42 122.000 124.049 -2.049 1
1 506 . 12 1 1 A 43 43 ILE H H 43 9.230 8.926 0.304 1
1 507 . 12 1 1 A 43 43 ILE HA H 43 4.480 4.643 -0.163 1
1 517 . 12 1 1 A 43 43 ILE C C 43 176.400 175.636 0.764 1
1 518 . 12 1 1 A 43 43 ILE CA C 43 61.000 60.002 0.998 1
1 519 . 12 1 1 A 43 43 ILE CB C 43 42.300 42.046 0.254 1
1 523 . 12 1 1 A 43 43 ILE N N 43 126.400 127.318 -0.918 1
1 524 . 12 1 1 A 44 44 LEU H H 44 10.930 8.701 2.229 1
1 525 . 12 1 1 A 44 44 LEU HA H 44 4.280 4.388 -0.108 1
1 535 . 12 1 1 A 44 44 LEU C C 44 179.300 178.041 1.259 1
1 536 . 12 1 1 A 44 44 LEU CA C 44 56.500 55.410 1.090 1
1 537 . 12 1 1 A 44 44 LEU CB C 44 42.600 42.377 0.223 1
1 541 . 12 1 1 A 44 44 LEU N N 44 130.900 126.908 3.992 1
1 542 . 12 1 1 A 45 45 ARG H H 45 8.610 9.144 -0.534 1
1 543 . 12 1 1 A 45 45 ARG HA H 45 3.890 4.141 -0.251 1
1 551 . 12 1 1 A 45 45 ARG C C 45 179.300 177.601 1.699 1
1 552 . 12 1 1 A 45 45 ARG CA C 45 60.200 58.503 1.697 1
1 553 . 12 1 1 A 45 45 ARG CB C 45 29.400 30.323 -0.923 1
1 556 . 12 1 1 A 45 45 ARG N N 45 125.400 123.821 1.579 1
1 558 . 12 1 1 A 46 46 GLU H H 46 9.020 8.005 1.015 1
1 559 . 12 1 1 A 46 46 GLU HA H 46 4.210 4.161 0.049 1
1 564 . 12 1 1 A 46 46 GLU C C 46 176.700 178.177 -1.477 1
1 565 . 12 1 1 A 46 46 GLU CA C 46 59.000 58.562 0.438 1
1 566 . 12 1 1 A 46 46 GLU CB C 46 29.600 29.890 -0.290 1
1 568 . 12 1 1 A 46 46 GLU N N 46 117.500 119.904 -2.404 1
1 569 . 12 1 1 A 47 47 ASN H H 47 7.870 8.043 -0.173 1
1 570 . 12 1 1 A 47 47 ASN HA H 47 5.100 4.667 0.433 1
1 573 . 12 1 1 A 47 47 ASN C C 47 175.200 176.981 -1.781 1
1 574 . 12 1 1 A 47 47 ASN CA C 47 52.800 54.651 -1.851 1
1 575 . 12 1 1 A 47 47 ASN CB C 47 40.500 38.568 1.932 1
1 576 . 12 1 1 A 47 47 ASN N N 47 115.900 118.681 -2.781 1
1 577 . 12 1 1 A 48 48 LEU H H 48 7.760 7.780 -0.020 1
1 578 . 12 1 1 A 48 48 LEU HA H 48 4.060 4.081 -0.021 1
1 588 . 12 1 1 A 48 48 LEU C C 48 177.200 178.587 -1.387 1
1 589 . 12 1 1 A 48 48 LEU CA C 48 59.000 58.780 0.220 1
1 590 . 12 1 1 A 48 48 LEU CB C 48 42.800 41.458 1.342 1
1 594 . 12 1 1 A 48 48 LEU N N 48 122.300 120.888 1.412 1
1 595 . 12 1 1 A 49 49 GLU H H 49 8.770 8.312 0.458 1
1 596 . 12 1 1 A 49 49 GLU HA H 49 3.670 3.973 -0.303 1
1 601 . 12 1 1 A 49 49 GLU C C 49 176.200 179.244 -3.044 1
1 602 . 12 1 1 A 49 49 GLU CA C 49 61.300 59.753 1.547 1
1 603 . 12 1 1 A 49 49 GLU CB C 49 28.200 29.329 -1.129 1
1 605 . 12 1 1 A 49 49 GLU N N 49 118.800 118.131 0.669 1
1 606 . 12 1 1 A 50 50 ARG H H 50 8.000 8.087 -0.087 1
1 607 . 12 1 1 A 50 50 ARG HA H 50 3.860 4.048 -0.188 1
1 615 . 12 1 1 A 50 50 ARG C C 50 174.100 178.282 -4.182 1
1 616 . 12 1 1 A 50 50 ARG CA C 50 60.100 59.070 1.030 1
1 617 . 12 1 1 A 50 50 ARG CB C 50 29.900 30.027 -0.127 1
1 620 . 12 1 1 A 50 50 ARG N N 50 119.100 120.277 -1.177 1
1 622 . 12 1 1 A 51 51 TYR H H 51 8.250 8.093 0.157 1
1 623 . 12 1 1 A 51 51 TYR HA H 51 4.610 4.007 0.603 1
1 630 . 12 1 1 A 51 51 TYR C C 51 178.500 177.084 1.416 1
1 631 . 12 1 1 A 51 51 TYR CA C 51 61.700 60.818 0.882 1
1 632 . 12 1 1 A 51 51 TYR CB C 51 40.000 38.571 1.429 1
1 637 . 12 1 1 A 51 51 TYR N N 51 120.400 120.980 -0.580 1
1 638 . 12 1 1 A 52 52 LEU H H 52 9.030 8.307 0.723 1
1 639 . 12 1 1 A 52 52 LEU HA H 52 3.690 3.883 -0.193 1
1 649 . 12 1 1 A 52 52 LEU C C 52 180.000 179.168 0.832 1
1 650 . 12 1 1 A 52 52 LEU CA C 52 57.600 57.394 0.206 1
1 651 . 12 1 1 A 52 52 LEU CB C 52 40.800 41.416 -0.616 1
1 655 . 12 1 1 A 52 52 LEU N N 52 118.300 119.378 -1.078 1
1 656 . 12 1 1 A 53 53 ARG H H 53 8.530 8.083 0.447 1
1 657 . 12 1 1 A 53 53 ARG HA H 53 4.820 3.980 0.840 1
1 665 . 12 1 1 A 53 53 ARG C C 53 179.100 178.738 0.362 1
1 666 . 12 1 1 A 53 53 ARG CA C 53 59.300 59.496 -0.196 1
1 667 . 12 1 1 A 53 53 ARG CB C 53 31.900 29.814 2.086 1
1 670 . 12 1 1 A 53 53 ARG N N 53 119.400 119.926 -0.526 1
1 672 . 12 1 1 A 54 54 GLU H H 54 9.090 7.849 1.241 1
1 673 . 12 1 1 A 54 54 GLU HA H 54 4.100 4.048 0.052 1
1 678 . 12 1 1 A 54 54 GLU C C 54 178.700 177.959 0.741 1
1 679 . 12 1 1 A 54 54 GLU CA C 54 59.300 58.799 0.501 1
1 680 . 12 1 1 A 54 54 GLU CB C 54 31.000 29.623 1.377 1
1 682 . 12 1 1 A 54 54 GLU N N 54 116.700 119.474 -2.774 1
1 683 . 12 1 1 A 55 55 GLN H H 55 8.760 7.315 1.445 1
1 684 . 12 1 1 A 55 55 GLN HA H 55 4.290 4.229 0.061 1
1 691 . 12 1 1 A 55 55 GLN C C 55 177.700 176.305 1.395 1
1 692 . 12 1 1 A 55 55 GLN CA C 55 55.800 58.068 -2.268 1
1 693 . 12 1 1 A 55 55 GLN CB C 55 28.000 29.665 -1.665 1
1 695 . 12 1 1 A 55 55 GLN N N 55 113.900 116.075 -2.175 1
1 697 . 12 1 1 A 56 56 LEU H H 56 6.650 7.395 -0.745 1
1 698 . 12 1 1 A 56 56 LEU HA H 56 4.700 3.928 0.772 1
1 708 . 12 1 1 A 56 56 LEU C C 56 178.000 177.251 0.749 1
1 709 . 12 1 1 A 56 56 LEU CA C 56 55.300 55.695 -0.395 1
1 710 . 12 1 1 A 56 56 LEU CB C 56 43.800 41.020 2.780 1
1 714 . 12 1 1 A 56 56 LEU N N 56 116.200 120.118 -3.918 1
1 715 . 12 1 1 A 57 57 GLY H H 57 7.160 7.710 -0.550 1
1 716 . 12 1 1 A 57 57 GLY HA2 H 57 4.070 3.502 0.568 1
1 717 . 12 1 1 A 57 57 GLY HA3 H 57 4.070 3.788 0.282 1
1 718 . 12 1 1 A 57 57 GLY C C 57 175.000 174.397 0.603 1
1 719 . 12 1 1 A 57 57 GLY CA C 57 46.900 44.909 1.991 1
1 720 . 12 1 1 A 57 57 GLY N N 57 109.000 106.062 2.938 1
1 721 . 12 1 1 A 58 58 PHE H H 58 8.480 8.174 0.306 1
1 722 . 12 1 1 A 58 58 PHE HA H 58 4.690 4.532 0.158 1
1 730 . 12 1 1 A 58 58 PHE C C 58 175.700 174.256 1.444 1
1 731 . 12 1 1 A 58 58 PHE CA C 58 57.900 60.272 -2.372 1
1 732 . 12 1 1 A 58 58 PHE CB C 58 39.500 37.718 1.782 1
1 738 . 12 1 1 A 58 58 PHE N N 58 123.100 115.896 7.204 1
1 739 . 12 1 1 A 59 59 GLU H H 59 8.440 8.817 -0.377 1
1 740 . 12 1 1 A 59 59 GLU HA H 59 4.820 4.878 -0.058 1
1 745 . 12 1 1 A 59 59 GLU C C 59 174.700 174.518 0.182 1
1 746 . 12 1 1 A 59 59 GLU CA C 59 54.600 55.886 -1.286 1
1 747 . 12 1 1 A 59 59 GLU CB C 59 32.800 30.294 2.506 1
1 749 . 12 1 1 A 59 59 GLU N N 59 118.600 121.389 -2.789 1
1 750 . 12 1 1 A 60 60 PHE H H 60 9.110 9.126 -0.016 1
1 751 . 12 1 1 A 60 60 PHE HA H 60 4.470 5.290 -0.820 1
1 759 . 12 1 1 A 60 60 PHE C C 60 175.100 174.010 1.090 1
1 760 . 12 1 1 A 60 60 PHE CA C 60 58.100 56.206 1.894 1
1 761 . 12 1 1 A 60 60 PHE CB C 60 39.900 41.162 -1.262 1
1 767 . 12 1 1 A 60 60 PHE N N 60 124.300 126.757 -2.457 1
1 768 . 12 1 1 A 61 61 LYS H H 61 8.510 8.586 -0.076 1
1 769 . 12 1 1 A 61 61 LYS HA H 61 4.360 5.203 -0.843 1
1 778 . 12 1 1 A 61 61 LYS C C 61 174.700 175.372 -0.672 1
1 779 . 12 1 1 A 61 61 LYS CA C 61 53.800 55.054 -1.254 1
1 780 . 12 1 1 A 61 61 LYS CB C 61 31.300 35.005 -3.705 1
1 784 . 12 1 1 A 61 61 LYS N N 61 124.900 126.327 -1.427 1
1 785 . 12 1 1 A 62 62 ASN H H 62 8.400 8.662 -0.262 1
1 786 . 12 1 1 A 62 62 ASN HA H 62 4.910 5.170 -0.260 1
1 789 . 12 1 1 A 62 62 ASN C C 62 175.500 175.183 0.317 1
1 790 . 12 1 1 A 62 62 ASN CA C 62 52.400 52.856 -0.456 1
1 791 . 12 1 1 A 62 62 ASN CB C 62 39.400 42.120 -2.720 1
1 792 . 12 1 1 A 62 62 ASN N N 62 121.800 119.455 2.345 1
1 793 . 12 1 1 A 63 63 ALA H H 63 8.960 8.574 0.386 1
1 794 . 12 1 1 A 63 63 ALA HA H 63 4.170 4.175 -0.005 1
1 798 . 12 1 1 A 63 63 ALA C C 63 178.200 177.543 0.657 1
1 799 . 12 1 1 A 63 63 ALA CA C 63 53.300 52.471 0.829 1
1 800 . 12 1 1 A 63 63 ALA CB C 63 19.300 19.351 -0.051 1
1 801 . 12 1 1 A 63 63 ALA N N 63 126.200 126.725 -0.525 1
1 802 . 12 1 1 A 64 64 GLN H H 64 8.570 8.257 0.313 1
1 803 . 12 1 1 A 64 64 GLN HA H 64 4.280 4.055 0.225 1
1 810 . 12 1 1 A 64 64 GLN C C 64 176.200 176.485 -0.285 1
1 811 . 12 1 1 A 64 64 GLN CA C 64 56.300 56.873 -0.573 1
1 812 . 12 1 1 A 64 64 GLN CB C 64 29.400 27.445 1.955 1
1 814 . 12 1 1 A 64 64 GLN N N 64 119.900 116.689 3.211 1
1 816 . 12 1 1 A 65 65 LEU H H 65 8.080 7.770 0.310 1
1 817 . 12 1 1 A 65 65 LEU HA H 65 4.320 4.544 -0.224 1
1 827 . 12 1 1 A 65 65 LEU C C 65 177.200 177.222 -0.022 1
1 828 . 12 1 1 A 65 65 LEU CA C 65 55.300 53.535 1.765 1
1 829 . 12 1 1 A 65 65 LEU CB C 65 42.700 41.394 1.306 1
1 833 . 12 1 1 A 65 65 LEU N N 65 121.700 120.266 1.434 1
1 834 . 12 1 1 A 66 66 GLU H H 66 8.290 7.991 0.299 1
1 835 . 12 1 1 A 66 66 GLU HA H 66 4.190 4.219 -0.029 1
1 840 . 12 1 1 A 66 66 GLU C C 66 176.300 177.081 -0.781 1
1 841 . 12 1 1 A 66 66 GLU CA C 66 56.800 59.258 -2.458 1
1 842 . 12 1 1 A 66 66 GLU CB C 66 30.400 29.642 0.758 1
1 844 . 12 1 1 A 66 66 GLU N N 66 120.400 120.996 -0.596 1
1 845 . 12 1 1 A 67 67 HIS H H 67 8.280 8.151 0.129 1
1 846 . 12 1 1 A 67 67 HIS HA H 67 4.620 4.278 0.342 1
1 850 . 12 1 1 A 67 67 HIS C C 67 173.900 174.429 -0.529 1
1 851 . 12 1 1 A 67 67 HIS CA C 67 55.900 56.830 -0.930 1
1 852 . 12 1 1 A 67 67 HIS CB C 67 30.100 27.825 2.275 1
1 854 . 12 1 1 A 67 67 HIS N N 67 119.300 119.240 0.060 1
1 855 . 12 1 1 A 68 68 HIS H H 68 8.180 7.586 0.594 1
1 856 . 12 1 1 A 68 68 HIS HA H 68 4.440 4.207 0.233 1
1 859 . 12 1 1 A 68 68 HIS CA C 68 57.300 56.688 0.612 1
1 860 . 12 1 1 A 68 68 HIS CB C 68 30.200 29.455 0.745 1
1 861 . 12 1 1 A 68 68 HIS N N 68 125.300 118.222 7.078 1
1 2 . 13 1 1 A 2 2 VAL H H 2 8.100 7.947 0.153 1
1 3 . 13 1 1 A 2 2 VAL HA H 2 4.090 4.003 0.087 1
1 5 . 13 1 1 A 2 2 VAL C C 2 176.500 175.822 0.678 1
1 6 . 13 1 1 A 2 2 VAL CA C 2 62.300 64.618 -2.318 1
1 7 . 13 1 1 A 2 2 VAL CB C 2 32.700 31.657 1.043 1
1 8 . 13 1 1 A 2 2 VAL N N 2 124.800 115.931 8.869 1
1 9 . 13 1 1 A 3 3 GLU H H 3 8.500 7.770 0.730 1
1 10 . 13 1 1 A 3 3 GLU HA H 3 4.280 4.844 -0.564 1
1 15 . 13 1 1 A 3 3 GLU C C 3 175.900 174.056 1.844 1
1 16 . 13 1 1 A 3 3 GLU CA C 3 56.500 55.242 1.258 1
1 17 . 13 1 1 A 3 3 GLU CB C 3 30.400 33.175 -2.775 1
1 19 . 13 1 1 A 3 3 GLU N N 3 124.200 120.559 3.641 1
1 20 . 13 1 1 A 4 4 ASN H H 4 8.500 8.967 -0.467 1
1 21 . 13 1 1 A 4 4 ASN HA H 4 4.970 5.135 -0.165 1
1 26 . 13 1 1 A 4 4 ASN CA C 4 51.200 49.881 1.319 1
1 27 . 13 1 1 A 4 4 ASN CB C 4 39.000 40.005 -1.005 1
1 28 . 13 1 1 A 4 4 ASN N N 4 120.700 124.672 -3.972 1
1 30 . 13 1 1 A 5 5 PRO HA H 5 4.390 4.457 -0.067 1
1 37 . 13 1 1 A 5 5 PRO C C 5 176.800 177.005 -0.205 1
1 38 . 13 1 1 A 5 5 PRO CA C 5 63.500 63.020 0.480 1
1 39 . 13 1 1 A 5 5 PRO CB C 5 32.200 31.492 0.708 1
1 42 . 13 1 1 A 6 6 MET H H 6 8.300 8.400 -0.100 1
1 43 . 13 1 1 A 6 6 MET HA H 6 4.400 4.504 -0.104 1
1 51 . 13 1 1 A 6 6 MET C C 6 176.200 175.402 0.798 1
1 52 . 13 1 1 A 6 6 MET CA C 6 55.800 54.266 1.534 1
1 53 . 13 1 1 A 6 6 MET CB C 6 32.600 31.069 1.531 1
1 56 . 13 1 1 A 6 6 MET N N 6 119.400 123.334 -3.934 1
1 57 . 13 1 1 A 7 7 VAL H H 7 7.980 8.633 -0.653 1
1 58 . 13 1 1 A 7 7 VAL HA H 7 4.080 4.268 -0.188 1
1 66 . 13 1 1 A 7 7 VAL C C 7 175.800 174.329 1.471 1
1 67 . 13 1 1 A 7 7 VAL CA C 7 62.400 62.013 0.387 1
1 68 . 13 1 1 A 7 7 VAL CB C 7 32.800 29.313 3.487 1
1 71 . 13 1 1 A 7 7 VAL N N 7 121.500 126.357 -4.857 1
1 72 . 13 1 1 A 8 8 ILE H H 8 8.140 7.839 0.301 1
1 73 . 13 1 1 A 8 8 ILE HA H 8 4.120 5.159 -1.039 1
1 83 . 13 1 1 A 8 8 ILE C C 8 175.800 174.236 1.564 1
1 84 . 13 1 1 A 8 8 ILE CA C 8 60.900 58.662 2.238 1
1 85 . 13 1 1 A 8 8 ILE CB C 8 38.600 41.927 -3.327 1
1 89 . 13 1 1 A 8 8 ILE N N 8 124.500 119.954 4.546 1
1 90 . 13 1 1 A 9 9 ASN H H 9 8.450 8.776 -0.326 1
1 91 . 13 1 1 A 9 9 ASN HA H 9 4.630 5.138 -0.508 1
1 96 . 13 1 1 A 9 9 ASN C C 9 174.700 175.113 -0.413 1
1 97 . 13 1 1 A 9 9 ASN CA C 9 53.200 52.531 0.669 1
1 98 . 13 1 1 A 9 9 ASN CB C 9 39.000 39.907 -0.907 1
1 99 . 13 1 1 A 9 9 ASN N N 9 122.700 122.394 0.306 1
1 101 . 13 1 1 A 10 10 ASN H H 10 8.320 8.274 0.046 1
1 102 . 13 1 1 A 10 10 ASN HA H 10 4.680 4.763 -0.083 1
1 107 . 13 1 1 A 10 10 ASN C C 10 175.000 174.959 0.041 1
1 108 . 13 1 1 A 10 10 ASN CA C 10 53.100 52.111 0.989 1
1 109 . 13 1 1 A 10 10 ASN CB C 10 38.700 39.448 -0.748 1
1 110 . 13 1 1 A 10 10 ASN N N 10 119.600 121.829 -2.229 1
1 112 . 13 1 1 A 11 11 TRP H H 11 8.060 8.557 -0.497 1
1 113 . 13 1 1 A 11 11 TRP HA H 11 4.550 4.546 0.004 1
1 122 . 13 1 1 A 11 11 TRP C C 11 176.200 176.163 0.037 1
1 123 . 13 1 1 A 11 11 TRP CA C 11 57.800 58.696 -0.896 1
1 124 . 13 1 1 A 11 11 TRP CB C 11 29.300 30.168 -0.868 1
1 130 . 13 1 1 A 11 11 TRP N N 11 121.200 122.385 -1.185 1
1 132 . 13 1 1 A 12 12 HIS H H 12 7.980 8.754 -0.774 1
1 133 . 13 1 1 A 12 12 HIS HA H 12 4.410 4.762 -0.352 1
1 137 . 13 1 1 A 12 12 HIS C C 12 174.400 175.215 -0.815 1
1 138 . 13 1 1 A 12 12 HIS CA C 12 56.200 54.260 1.940 1
1 139 . 13 1 1 A 12 12 HIS CB C 12 29.600 27.280 2.320 1
1 141 . 13 1 1 A 12 12 HIS N N 12 119.900 124.422 -4.522 1
1 142 . 13 1 1 A 13 13 ASP H H 13 8.130 8.372 -0.242 1
1 143 . 13 1 1 A 13 13 ASP HA H 13 4.470 4.492 -0.022 1
1 146 . 13 1 1 A 13 13 ASP C C 13 176.100 176.153 -0.053 1
1 147 . 13 1 1 A 13 13 ASP CA C 13 54.700 57.079 -2.379 1
1 148 . 13 1 1 A 13 13 ASP CB C 13 41.100 41.506 -0.406 1
1 149 . 13 1 1 A 13 13 ASP N N 13 120.600 123.544 -2.944 1
1 150 . 13 1 1 A 14 14 LYS H H 14 8.150 7.777 0.373 1
1 151 . 13 1 1 A 14 14 LYS HA H 14 4.270 4.570 -0.300 1
1 160 . 13 1 1 A 14 14 LYS C C 14 176.600 175.689 0.911 1
1 161 . 13 1 1 A 14 14 LYS CA C 14 56.500 55.968 0.532 1
1 162 . 13 1 1 A 14 14 LYS CB C 14 32.900 33.735 -0.835 1
1 166 . 13 1 1 A 14 14 LYS N N 14 120.900 118.493 2.407 1
1 167 . 13 1 1 A 15 15 LEU H H 15 8.220 8.848 -0.628 1
1 168 . 13 1 1 A 15 15 LEU HA H 15 4.360 4.225 0.135 1
1 178 . 13 1 1 A 15 15 LEU C C 15 177.600 177.230 0.370 1
1 179 . 13 1 1 A 15 15 LEU CA C 15 55.600 56.929 -1.329 1
1 180 . 13 1 1 A 15 15 LEU CB C 15 42.200 42.140 0.060 1
1 184 . 13 1 1 A 15 15 LEU N N 15 122.500 128.460 -5.960 1
1 185 . 13 1 1 A 16 16 THR H H 16 8.090 7.842 0.248 1
1 186 . 13 1 1 A 16 16 THR HA H 16 4.340 4.418 -0.078 1
1 191 . 13 1 1 A 16 16 THR C C 16 174.700 173.272 1.428 1
1 192 . 13 1 1 A 16 16 THR CA C 16 61.700 63.899 -2.199 1
1 193 . 13 1 1 A 16 16 THR CB C 16 70.000 67.759 2.241 1
1 195 . 13 1 1 A 16 16 THR N N 16 113.800 110.705 3.095 1
1 196 . 13 1 1 A 17 17 GLU H H 17 8.400 8.715 -0.315 1
1 197 . 13 1 1 A 17 17 GLU HA H 17 4.330 4.428 -0.098 1
1 202 . 13 1 1 A 17 17 GLU C C 17 176.500 176.087 0.413 1
1 203 . 13 1 1 A 17 17 GLU CA C 17 56.900 55.585 1.315 1
1 204 . 13 1 1 A 17 17 GLU CB C 17 30.200 28.863 1.337 1
1 206 . 13 1 1 A 17 17 GLU N N 17 122.700 124.890 -2.190 1
1 207 . 13 1 1 A 18 18 THR H H 18 8.040 7.916 0.124 1
1 208 . 13 1 1 A 18 18 THR HA H 18 4.350 4.264 0.086 1
1 213 . 13 1 1 A 18 18 THR C C 18 174.000 174.499 -0.499 1
1 214 . 13 1 1 A 18 18 THR CA C 18 61.700 64.879 -3.179 1
1 215 . 13 1 1 A 18 18 THR CB C 18 69.800 69.666 0.134 1
1 217 . 13 1 1 A 18 18 THR N N 18 113.600 119.713 -6.113 1
1 218 . 13 1 1 A 19 19 ASP H H 19 8.290 7.867 0.423 1
1 219 . 13 1 1 A 19 19 ASP HA H 19 4.640 4.829 -0.189 1
1 222 . 13 1 1 A 19 19 ASP C C 19 175.500 174.615 0.885 1
1 223 . 13 1 1 A 19 19 ASP CA C 19 54.500 53.495 1.005 1
1 224 . 13 1 1 A 19 19 ASP CB C 19 41.200 39.363 1.837 1
1 225 . 13 1 1 A 19 19 ASP N N 19 122.900 118.249 4.651 1
1 226 . 13 1 1 A 20 20 VAL H H 20 7.900 8.410 -0.510 1
1 227 . 13 1 1 A 20 20 VAL HA H 20 4.200 4.577 -0.377 1
1 235 . 13 1 1 A 20 20 VAL C C 20 175.400 175.028 0.372 1
1 236 . 13 1 1 A 20 20 VAL CA C 20 61.900 61.472 0.428 1
1 237 . 13 1 1 A 20 20 VAL CB C 20 33.500 32.625 0.875 1
1 240 . 13 1 1 A 20 20 VAL N N 20 119.900 125.309 -5.409 1
1 241 . 13 1 1 A 21 21 GLN H H 21 8.490 8.512 -0.022 1
1 242 . 13 1 1 A 21 21 GLN HA H 21 4.510 5.014 -0.504 1
1 249 . 13 1 1 A 21 21 GLN C C 21 173.800 174.634 -0.834 1
1 250 . 13 1 1 A 21 21 GLN CA C 21 54.700 54.237 0.463 1
1 251 . 13 1 1 A 21 21 GLN CB C 21 31.600 31.215 0.385 1
1 253 . 13 1 1 A 21 21 GLN N N 21 124.800 124.728 0.072 1
1 255 . 13 1 1 A 22 22 ILE H H 22 8.070 8.578 -0.508 1
1 256 . 13 1 1 A 22 22 ILE HA H 22 4.820 4.703 0.117 1
1 266 . 13 1 1 A 22 22 ILE C C 22 175.500 175.548 -0.048 1
1 267 . 13 1 1 A 22 22 ILE CA C 22 58.700 59.504 -0.804 1
1 268 . 13 1 1 A 22 22 ILE CB C 22 39.800 41.431 -1.631 1
1 272 . 13 1 1 A 22 22 ILE N N 22 120.500 122.554 -2.054 1
1 273 . 13 1 1 A 23 23 ASP H H 23 9.340 8.664 0.676 1
1 274 . 13 1 1 A 23 23 ASP HA H 23 4.570 4.905 -0.335 1
1 277 . 13 1 1 A 23 23 ASP C C 23 178.600 176.388 2.212 1
1 278 . 13 1 1 A 23 23 ASP CA C 23 51.700 52.739 -1.039 1
1 279 . 13 1 1 A 23 23 ASP CB C 23 42.900 41.424 1.476 1
1 280 . 13 1 1 A 23 23 ASP N N 23 128.000 124.731 3.269 1
1 281 . 13 1 1 A 24 24 PHE H H 24 8.860 8.564 0.296 1
1 282 . 13 1 1 A 24 24 PHE HA H 24 3.960 3.940 0.020 1
1 290 . 13 1 1 A 24 24 PHE C C 24 175.800 177.109 -1.309 1
1 291 . 13 1 1 A 24 24 PHE CA C 24 61.600 60.793 0.807 1
1 292 . 13 1 1 A 24 24 PHE CB C 24 41.800 38.583 3.217 1
1 298 . 13 1 1 A 24 24 PHE N N 24 118.500 119.251 -0.751 1
1 299 . 13 1 1 A 25 25 TYR H H 25 8.340 8.067 0.273 1
1 300 . 13 1 1 A 25 25 TYR HA H 25 4.400 4.467 -0.067 1
1 307 . 13 1 1 A 25 25 TYR C C 25 175.700 175.957 -0.257 1
1 308 . 13 1 1 A 25 25 TYR CA C 25 59.200 58.178 1.022 1
1 309 . 13 1 1 A 25 25 TYR CB C 25 38.700 38.686 0.014 1
1 314 . 13 1 1 A 25 25 TYR N N 25 114.500 114.642 -0.142 1
1 315 . 13 1 1 A 26 26 GLY H H 26 8.460 7.873 0.587 1
1 316 . 13 1 1 A 26 26 GLY HA2 H 26 4.230 3.941 0.289 1
1 317 . 13 1 1 A 26 26 GLY HA3 H 26 3.500 3.942 -0.442 1
1 318 . 13 1 1 A 26 26 GLY C C 26 174.700 174.152 0.548 1
1 319 . 13 1 1 A 26 26 GLY CA C 26 45.200 46.415 -1.215 1
1 320 . 13 1 1 A 26 26 GLY N N 26 109.700 108.822 0.878 1
1 321 . 13 1 1 A 27 27 ASP H H 27 8.400 8.021 0.379 1
1 322 . 13 1 1 A 27 27 ASP HA H 27 4.330 4.916 -0.586 1
1 325 . 13 1 1 A 27 27 ASP C C 27 175.700 175.487 0.213 1
1 326 . 13 1 1 A 27 27 ASP CA C 27 56.700 55.267 1.433 1
1 327 . 13 1 1 A 27 27 ASP CB C 27 30.300 41.639 -11.339 1
1 328 . 13 1 1 A 27 27 ASP N N 27 122.700 120.691 2.009 1
1 329 . 13 1 1 A 28 28 GLU H H 28 7.960 7.692 0.268 1
1 330 . 13 1 1 A 28 28 GLU HA H 28 4.280 4.548 -0.268 1
1 335 . 13 1 1 A 28 28 GLU C C 28 175.200 173.948 1.252 1
1 336 . 13 1 1 A 28 28 GLU CA C 28 57.400 56.169 1.231 1
1 337 . 13 1 1 A 28 28 GLU CB C 28 30.500 33.347 -2.847 1
1 339 . 13 1 1 A 28 28 GLU N N 28 126.100 117.859 8.241 1
1 340 . 13 1 1 A 29 29 VAL H H 29 8.550 8.831 -0.281 1
1 341 . 13 1 1 A 29 29 VAL HA H 29 4.180 4.572 -0.392 1
1 349 . 13 1 1 A 29 29 VAL C C 29 176.000 176.058 -0.058 1
1 350 . 13 1 1 A 29 29 VAL CA C 29 61.500 61.297 0.203 1
1 351 . 13 1 1 A 29 29 VAL CB C 29 32.300 32.529 -0.229 1
1 354 . 13 1 1 A 29 29 VAL N N 29 123.500 127.113 -3.613 1
1 355 . 13 1 1 A 30 30 THR H H 30 9.720 8.867 0.853 1
1 356 . 13 1 1 A 30 30 THR HA H 30 5.010 4.951 0.059 1
1 361 . 13 1 1 A 30 30 THR CA C 30 60.800 59.586 1.214 1
1 362 . 13 1 1 A 30 30 THR CB C 30 68.700 69.161 -0.461 1
1 364 . 13 1 1 A 30 30 THR N N 30 122.300 120.235 2.065 1
1 365 . 13 1 1 A 31 31 PRO HA H 31 4.510 4.624 -0.114 1
1 372 . 13 1 1 A 31 31 PRO C C 31 176.400 177.172 -0.772 1
1 373 . 13 1 1 A 31 31 PRO CA C 31 65.200 64.332 0.868 1
1 374 . 13 1 1 A 31 31 PRO CB C 31 32.600 31.707 0.893 1
1 377 . 13 1 1 A 32 32 VAL H H 32 6.830 7.855 -1.025 1
1 378 . 13 1 1 A 32 32 VAL HA H 32 4.450 4.275 0.175 1
1 386 . 13 1 1 A 32 32 VAL C C 32 175.700 174.706 0.994 1
1 387 . 13 1 1 A 32 32 VAL CA C 32 60.600 62.477 -1.877 1
1 388 . 13 1 1 A 32 32 VAL CB C 32 31.200 31.783 -0.583 1
1 391 . 13 1 1 A 32 32 VAL N N 32 105.600 115.959 -10.359 1
1 392 . 13 1 1 A 33 33 ASP H H 33 7.800 8.271 -0.471 1
1 393 . 13 1 1 A 33 33 ASP HA H 33 4.910 4.999 -0.089 1
1 396 . 13 1 1 A 33 33 ASP C C 33 174.900 175.325 -0.425 1
1 397 . 13 1 1 A 33 33 ASP CA C 33 55.100 53.316 1.784 1
1 398 . 13 1 1 A 33 33 ASP CB C 33 43.900 42.549 1.351 1
1 399 . 13 1 1 A 33 33 ASP N N 33 122.100 121.226 0.874 1
1 400 . 13 1 1 A 34 34 ASP H H 34 8.810 8.663 0.147 1
1 401 . 13 1 1 A 34 34 ASP HA H 34 5.060 4.793 0.267 1
1 404 . 13 1 1 A 34 34 ASP C C 34 176.500 176.040 0.460 1
1 405 . 13 1 1 A 34 34 ASP CA C 34 53.700 54.599 -0.899 1
1 406 . 13 1 1 A 34 34 ASP CB C 34 41.600 41.032 0.568 1
1 407 . 13 1 1 A 34 34 ASP N N 34 121.800 124.600 -2.800 1
1 408 . 13 1 1 A 35 35 TYR H H 35 8.570 8.390 0.180 1
1 409 . 13 1 1 A 35 35 TYR HA H 35 5.220 5.476 -0.256 1
1 416 . 13 1 1 A 35 35 TYR C C 35 171.800 172.940 -1.140 1
1 417 . 13 1 1 A 35 35 TYR CA C 35 56.300 56.016 0.284 1
1 418 . 13 1 1 A 35 35 TYR CB C 35 40.700 41.925 -1.225 1
1 423 . 13 1 1 A 35 35 TYR N N 35 117.900 119.517 -1.617 1
1 424 . 13 1 1 A 36 36 VAL H H 36 9.340 8.720 0.620 1
1 425 . 13 1 1 A 36 36 VAL HA H 36 4.660 4.787 -0.127 1
1 433 . 13 1 1 A 36 36 VAL C C 36 173.300 174.906 -1.606 1
1 434 . 13 1 1 A 36 36 VAL CA C 36 59.300 60.261 -0.961 1
1 435 . 13 1 1 A 36 36 VAL CB C 36 35.100 35.736 -0.636 1
1 438 . 13 1 1 A 36 36 VAL N N 36 120.700 119.355 1.345 1
1 439 . 13 1 1 A 37 37 ILE H H 37 8.820 8.884 -0.064 1
1 440 . 13 1 1 A 37 37 ILE HA H 37 4.820 5.080 -0.260 1
1 450 . 13 1 1 A 37 37 ILE C C 37 175.500 173.961 1.539 1
1 451 . 13 1 1 A 37 37 ILE CA C 37 59.700 59.877 -0.177 1
1 452 . 13 1 1 A 37 37 ILE CB C 37 40.600 38.934 1.666 1
1 456 . 13 1 1 A 37 37 ILE N N 37 124.100 127.099 -2.999 1
1 457 . 13 1 1 A 38 38 ASP H H 38 8.280 9.055 -0.775 1
1 458 . 13 1 1 A 38 38 ASP HA H 38 4.430 5.212 -0.782 1
1 461 . 13 1 1 A 38 38 ASP C C 38 177.000 176.833 0.167 1
1 462 . 13 1 1 A 38 38 ASP CA C 38 51.400 53.191 -1.791 1
1 463 . 13 1 1 A 38 38 ASP CB C 38 41.200 41.686 -0.486 1
1 464 . 13 1 1 A 38 38 ASP N N 38 126.600 127.477 -0.877 1
1 465 . 13 1 1 A 39 39 GLY H H 39 8.910 8.822 0.088 1
1 466 . 13 1 1 A 39 39 GLY HA2 H 39 3.640 3.949 -0.309 1
1 467 . 13 1 1 A 39 39 GLY HA3 H 39 3.850 4.055 -0.205 1
1 468 . 13 1 1 A 39 39 GLY C C 39 174.500 174.099 0.401 1
1 469 . 13 1 1 A 39 39 GLY CA C 39 47.600 45.646 1.954 1
1 470 . 13 1 1 A 39 39 GLY N N 39 114.900 114.545 0.355 1
1 471 . 13 1 1 A 40 40 GLY H H 40 8.220 8.515 -0.295 1
1 472 . 13 1 1 A 40 40 GLY HA2 H 40 3.900 4.083 -0.183 1
1 473 . 13 1 1 A 40 40 GLY HA3 H 40 3.900 4.083 -0.183 1
1 474 . 13 1 1 A 40 40 GLY C C 40 173.900 174.409 -0.509 1
1 475 . 13 1 1 A 40 40 GLY CA C 40 45.000 45.502 -0.502 1
1 476 . 13 1 1 A 40 40 GLY N N 40 112.200 107.144 5.056 1
1 477 . 13 1 1 A 41 41 GLU H H 41 7.770 7.530 0.240 1
1 478 . 13 1 1 A 41 41 GLU HA H 41 4.750 4.497 0.253 1
1 483 . 13 1 1 A 41 41 GLU C C 41 174.800 175.564 -0.764 1
1 484 . 13 1 1 A 41 41 GLU CA C 41 54.300 56.377 -2.077 1
1 485 . 13 1 1 A 41 41 GLU CB C 41 30.300 31.001 -0.701 1
1 487 . 13 1 1 A 41 41 GLU N N 41 120.200 120.585 -0.385 1
1 488 . 13 1 1 A 42 42 ILE H H 42 8.720 8.549 0.171 1
1 489 . 13 1 1 A 42 42 ILE HA H 42 4.780 4.898 -0.118 1
1 499 . 13 1 1 A 42 42 ILE C C 42 174.800 175.153 -0.353 1
1 500 . 13 1 1 A 42 42 ILE CA C 42 59.200 59.840 -0.640 1
1 501 . 13 1 1 A 42 42 ILE CB C 42 40.300 39.650 0.650 1
1 505 . 13 1 1 A 42 42 ILE N N 42 122.000 123.452 -1.452 1
1 506 . 13 1 1 A 43 43 ILE H H 43 9.230 8.929 0.301 1
1 507 . 13 1 1 A 43 43 ILE HA H 43 4.480 4.677 -0.197 1
1 517 . 13 1 1 A 43 43 ILE C C 43 176.400 175.644 0.756 1
1 518 . 13 1 1 A 43 43 ILE CA C 43 61.000 60.292 0.708 1
1 519 . 13 1 1 A 43 43 ILE CB C 43 42.300 41.924 0.376 1
1 523 . 13 1 1 A 43 43 ILE N N 43 126.400 127.126 -0.726 1
1 524 . 13 1 1 A 44 44 LEU H H 44 10.930 8.611 2.319 1
1 525 . 13 1 1 A 44 44 LEU HA H 44 4.280 4.459 -0.179 1
1 535 . 13 1 1 A 44 44 LEU C C 44 179.300 178.204 1.096 1
1 536 . 13 1 1 A 44 44 LEU CA C 44 56.500 55.350 1.150 1
1 537 . 13 1 1 A 44 44 LEU CB C 44 42.600 42.353 0.247 1
1 541 . 13 1 1 A 44 44 LEU N N 44 130.900 127.346 3.554 1
1 542 . 13 1 1 A 45 45 ARG H H 45 8.610 8.869 -0.259 1
1 543 . 13 1 1 A 45 45 ARG HA H 45 3.890 4.237 -0.347 1
1 551 . 13 1 1 A 45 45 ARG C C 45 179.300 178.110 1.190 1
1 552 . 13 1 1 A 45 45 ARG CA C 45 60.200 58.499 1.701 1
1 553 . 13 1 1 A 45 45 ARG CB C 45 29.400 29.988 -0.588 1
1 556 . 13 1 1 A 45 45 ARG N N 45 125.400 122.530 2.870 1
1 558 . 13 1 1 A 46 46 GLU H H 46 9.020 7.981 1.039 1
1 559 . 13 1 1 A 46 46 GLU HA H 46 4.210 4.118 0.092 1
1 564 . 13 1 1 A 46 46 GLU C C 46 176.700 177.742 -1.042 1
1 565 . 13 1 1 A 46 46 GLU CA C 46 59.000 59.330 -0.330 1
1 566 . 13 1 1 A 46 46 GLU CB C 46 29.600 29.496 0.104 1
1 568 . 13 1 1 A 46 46 GLU N N 46 117.500 119.976 -2.476 1
1 569 . 13 1 1 A 47 47 ASN H H 47 7.870 7.965 -0.095 1
1 570 . 13 1 1 A 47 47 ASN HA H 47 5.100 4.975 0.125 1
1 573 . 13 1 1 A 47 47 ASN C C 47 175.200 176.247 -1.047 1
1 574 . 13 1 1 A 47 47 ASN CA C 47 52.800 51.920 0.880 1
1 575 . 13 1 1 A 47 47 ASN CB C 47 40.500 38.829 1.671 1
1 576 . 13 1 1 A 47 47 ASN N N 47 115.900 116.509 -0.609 1
1 577 . 13 1 1 A 48 48 LEU H H 48 7.760 7.654 0.106 1
1 578 . 13 1 1 A 48 48 LEU HA H 48 4.060 4.090 -0.030 1
1 588 . 13 1 1 A 48 48 LEU C C 48 177.200 178.313 -1.113 1
1 589 . 13 1 1 A 48 48 LEU CA C 48 59.000 59.005 -0.005 1
1 590 . 13 1 1 A 48 48 LEU CB C 48 42.800 41.368 1.432 1
1 594 . 13 1 1 A 48 48 LEU N N 48 122.300 121.509 0.791 1
1 595 . 13 1 1 A 49 49 GLU H H 49 8.770 8.116 0.654 1
1 596 . 13 1 1 A 49 49 GLU HA H 49 3.670 4.057 -0.387 1
1 601 . 13 1 1 A 49 49 GLU C C 49 176.200 179.514 -3.314 1
1 602 . 13 1 1 A 49 49 GLU CA C 49 61.300 59.417 1.883 1
1 603 . 13 1 1 A 49 49 GLU CB C 49 28.200 29.061 -0.861 1
1 605 . 13 1 1 A 49 49 GLU N N 49 118.800 118.266 0.534 1
1 606 . 13 1 1 A 50 50 ARG H H 50 8.000 7.999 0.001 1
1 607 . 13 1 1 A 50 50 ARG HA H 50 3.860 4.089 -0.229 1
1 615 . 13 1 1 A 50 50 ARG C C 50 174.100 178.596 -4.496 1
1 616 . 13 1 1 A 50 50 ARG CA C 50 60.100 58.994 1.106 1
1 617 . 13 1 1 A 50 50 ARG CB C 50 29.900 30.109 -0.209 1
1 620 . 13 1 1 A 50 50 ARG N N 50 119.100 120.828 -1.728 1
1 622 . 13 1 1 A 51 51 TYR H H 51 8.250 7.873 0.377 1
1 623 . 13 1 1 A 51 51 TYR HA H 51 4.610 4.138 0.472 1
1 630 . 13 1 1 A 51 51 TYR C C 51 178.500 177.295 1.205 1
1 631 . 13 1 1 A 51 51 TYR CA C 51 61.700 60.391 1.309 1
1 632 . 13 1 1 A 51 51 TYR CB C 51 40.000 38.965 1.035 1
1 637 . 13 1 1 A 51 51 TYR N N 51 120.400 120.918 -0.518 1
1 638 . 13 1 1 A 52 52 LEU H H 52 9.030 8.254 0.776 1
1 639 . 13 1 1 A 52 52 LEU HA H 52 3.690 3.825 -0.135 1
1 649 . 13 1 1 A 52 52 LEU C C 52 180.000 178.573 1.427 1
1 650 . 13 1 1 A 52 52 LEU CA C 52 57.600 57.343 0.257 1
1 651 . 13 1 1 A 52 52 LEU CB C 52 40.800 41.477 -0.677 1
1 655 . 13 1 1 A 52 52 LEU N N 52 118.300 119.676 -1.376 1
1 656 . 13 1 1 A 53 53 ARG H H 53 8.530 7.645 0.885 1
1 657 . 13 1 1 A 53 53 ARG HA H 53 4.820 4.060 0.760 1
1 665 . 13 1 1 A 53 53 ARG C C 53 179.100 178.577 0.523 1
1 666 . 13 1 1 A 53 53 ARG CA C 53 59.300 58.764 0.536 1
1 667 . 13 1 1 A 53 53 ARG CB C 53 31.900 29.811 2.089 1
1 670 . 13 1 1 A 53 53 ARG N N 53 119.400 121.014 -1.614 1
1 672 . 13 1 1 A 54 54 GLU H H 54 9.090 7.629 1.461 1
1 673 . 13 1 1 A 54 54 GLU HA H 54 4.100 3.998 0.102 1
1 678 . 13 1 1 A 54 54 GLU C C 54 178.700 178.432 0.268 1
1 679 . 13 1 1 A 54 54 GLU CA C 54 59.300 58.800 0.500 1
1 680 . 13 1 1 A 54 54 GLU CB C 54 31.000 29.845 1.155 1
1 682 . 13 1 1 A 54 54 GLU N N 54 116.700 118.547 -1.847 1
1 683 . 13 1 1 A 55 55 GLN H H 55 8.760 7.736 1.024 1
1 684 . 13 1 1 A 55 55 GLN HA H 55 4.290 4.035 0.255 1
1 691 . 13 1 1 A 55 55 GLN C C 55 177.700 175.561 2.139 1
1 692 . 13 1 1 A 55 55 GLN CA C 55 55.800 57.335 -1.535 1
1 693 . 13 1 1 A 55 55 GLN CB C 55 28.000 29.257 -1.257 1
1 695 . 13 1 1 A 55 55 GLN N N 55 113.900 118.684 -4.784 1
1 697 . 13 1 1 A 56 56 LEU H H 56 6.650 7.784 -1.134 1
1 698 . 13 1 1 A 56 56 LEU HA H 56 4.700 4.102 0.598 1
1 708 . 13 1 1 A 56 56 LEU C C 56 178.000 177.046 0.954 1
1 709 . 13 1 1 A 56 56 LEU CA C 56 55.300 55.458 -0.158 1
1 710 . 13 1 1 A 56 56 LEU CB C 56 43.800 40.578 3.222 1
1 714 . 13 1 1 A 56 56 LEU N N 56 116.200 119.588 -3.388 1
1 715 . 13 1 1 A 57 57 GLY H H 57 7.160 7.824 -0.664 1
1 716 . 13 1 1 A 57 57 GLY HA2 H 57 4.070 3.761 0.309 1
1 717 . 13 1 1 A 57 57 GLY HA3 H 57 4.070 3.801 0.269 1
1 718 . 13 1 1 A 57 57 GLY C C 57 175.000 174.109 0.891 1
1 719 . 13 1 1 A 57 57 GLY CA C 57 46.900 44.970 1.930 1
1 720 . 13 1 1 A 57 57 GLY N N 57 109.000 106.014 2.986 1
1 721 . 13 1 1 A 58 58 PHE H H 58 8.480 8.402 0.078 1
1 722 . 13 1 1 A 58 58 PHE HA H 58 4.690 4.248 0.442 1
1 730 . 13 1 1 A 58 58 PHE C C 58 175.700 173.754 1.946 1
1 731 . 13 1 1 A 58 58 PHE CA C 58 57.900 59.868 -1.968 1
1 732 . 13 1 1 A 58 58 PHE CB C 58 39.500 37.271 2.229 1
1 738 . 13 1 1 A 58 58 PHE N N 58 123.100 116.750 6.350 1
1 739 . 13 1 1 A 59 59 GLU H H 59 8.440 8.590 -0.150 1
1 740 . 13 1 1 A 59 59 GLU HA H 59 4.820 4.866 -0.046 1
1 745 . 13 1 1 A 59 59 GLU C C 59 174.700 175.231 -0.531 1
1 746 . 13 1 1 A 59 59 GLU CA C 59 54.600 55.239 -0.639 1
1 747 . 13 1 1 A 59 59 GLU CB C 59 32.800 30.951 1.849 1
1 749 . 13 1 1 A 59 59 GLU N N 59 118.600 121.148 -2.548 1
1 750 . 13 1 1 A 60 60 PHE H H 60 9.110 8.910 0.200 1
1 751 . 13 1 1 A 60 60 PHE HA H 60 4.470 4.954 -0.484 1
1 759 . 13 1 1 A 60 60 PHE C C 60 175.100 175.465 -0.365 1
1 760 . 13 1 1 A 60 60 PHE CA C 60 58.100 58.268 -0.168 1
1 761 . 13 1 1 A 60 60 PHE CB C 60 39.900 39.816 0.084 1
1 767 . 13 1 1 A 60 60 PHE N N 60 124.300 125.258 -0.958 1
1 768 . 13 1 1 A 61 61 LYS H H 61 8.510 8.990 -0.480 1
1 769 . 13 1 1 A 61 61 LYS HA H 61 4.360 4.815 -0.455 1
1 778 . 13 1 1 A 61 61 LYS C C 61 174.700 175.772 -1.072 1
1 779 . 13 1 1 A 61 61 LYS CA C 61 53.800 54.953 -1.153 1
1 780 . 13 1 1 A 61 61 LYS CB C 61 31.300 33.718 -2.418 1
1 784 . 13 1 1 A 61 61 LYS N N 61 124.900 123.990 0.910 1
1 785 . 13 1 1 A 62 62 ASN H H 62 8.400 8.841 -0.441 1
1 786 . 13 1 1 A 62 62 ASN HA H 62 4.910 4.857 0.053 1
1 789 . 13 1 1 A 62 62 ASN C C 62 175.500 176.161 -0.661 1
1 790 . 13 1 1 A 62 62 ASN CA C 62 52.400 53.085 -0.685 1
1 791 . 13 1 1 A 62 62 ASN CB C 62 39.400 39.724 -0.324 1
1 792 . 13 1 1 A 62 62 ASN N N 62 121.800 124.398 -2.598 1
1 793 . 13 1 1 A 63 63 ALA H H 63 8.960 8.335 0.625 1
1 794 . 13 1 1 A 63 63 ALA HA H 63 4.170 4.484 -0.314 1
1 798 . 13 1 1 A 63 63 ALA C C 63 178.200 178.058 0.142 1
1 799 . 13 1 1 A 63 63 ALA CA C 63 53.300 51.787 1.513 1
1 800 . 13 1 1 A 63 63 ALA CB C 63 19.300 18.276 1.024 1
1 801 . 13 1 1 A 63 63 ALA N N 63 126.200 124.567 1.633 1
1 802 . 13 1 1 A 64 64 GLN H H 64 8.570 8.220 0.350 1
1 803 . 13 1 1 A 64 64 GLN HA H 64 4.280 4.220 0.060 1
1 810 . 13 1 1 A 64 64 GLN C C 64 176.200 175.239 0.961 1
1 811 . 13 1 1 A 64 64 GLN CA C 64 56.300 57.707 -1.407 1
1 812 . 13 1 1 A 64 64 GLN CB C 64 29.400 28.443 0.957 1
1 814 . 13 1 1 A 64 64 GLN N N 64 119.900 114.922 4.978 1
1 816 . 13 1 1 A 65 65 LEU H H 65 8.080 8.396 -0.316 1
1 817 . 13 1 1 A 65 65 LEU HA H 65 4.320 4.259 0.061 1
1 827 . 13 1 1 A 65 65 LEU C C 65 177.200 176.762 0.438 1
1 828 . 13 1 1 A 65 65 LEU CA C 65 55.300 55.274 0.026 1
1 829 . 13 1 1 A 65 65 LEU CB C 65 42.700 42.655 0.045 1
1 833 . 13 1 1 A 65 65 LEU N N 65 121.700 120.881 0.819 1
1 834 . 13 1 1 A 66 66 GLU H H 66 8.290 8.943 -0.653 1
1 835 . 13 1 1 A 66 66 GLU HA H 66 4.190 3.939 0.251 1
1 840 . 13 1 1 A 66 66 GLU C C 66 176.300 176.518 -0.218 1
1 841 . 13 1 1 A 66 66 GLU CA C 66 56.800 60.027 -3.227 1
1 842 . 13 1 1 A 66 66 GLU CB C 66 30.400 29.307 1.093 1
1 844 . 13 1 1 A 66 66 GLU N N 66 120.400 126.950 -6.550 1
1 845 . 13 1 1 A 67 67 HIS H H 67 8.280 8.063 0.217 1
1 846 . 13 1 1 A 67 67 HIS HA H 67 4.620 4.106 0.514 1
1 850 . 13 1 1 A 67 67 HIS C C 67 173.900 173.552 0.348 1
1 851 . 13 1 1 A 67 67 HIS CA C 67 55.900 56.834 -0.934 1
1 852 . 13 1 1 A 67 67 HIS CB C 67 30.100 28.533 1.567 1
1 854 . 13 1 1 A 67 67 HIS N N 67 119.300 117.229 2.071 1
1 855 . 13 1 1 A 68 68 HIS H H 68 8.180 7.625 0.555 1
1 856 . 13 1 1 A 68 68 HIS HA H 68 4.440 4.701 -0.261 1
1 859 . 13 1 1 A 68 68 HIS CA C 68 57.300 54.062 3.238 1
1 860 . 13 1 1 A 68 68 HIS CB C 68 30.200 31.166 -0.966 1
1 861 . 13 1 1 A 68 68 HIS N N 68 125.300 117.282 8.018 1
1 2 . 14 1 1 A 2 2 VAL H H 2 8.100 7.447 0.653 1
1 3 . 14 1 1 A 2 2 VAL HA H 2 4.090 4.535 -0.445 1
1 5 . 14 1 1 A 2 2 VAL C C 2 176.500 175.618 0.882 1
1 6 . 14 1 1 A 2 2 VAL CA C 2 62.300 60.271 2.029 1
1 7 . 14 1 1 A 2 2 VAL CB C 2 32.700 31.384 1.316 1
1 8 . 14 1 1 A 2 2 VAL N N 2 124.800 111.445 13.355 1
1 9 . 14 1 1 A 3 3 GLU H H 3 8.500 7.790 0.710 1
1 10 . 14 1 1 A 3 3 GLU HA H 3 4.280 4.387 -0.107 1
1 15 . 14 1 1 A 3 3 GLU C C 3 175.900 176.427 -0.527 1
1 16 . 14 1 1 A 3 3 GLU CA C 3 56.500 57.010 -0.510 1
1 17 . 14 1 1 A 3 3 GLU CB C 3 30.400 30.416 -0.016 1
1 19 . 14 1 1 A 3 3 GLU N N 3 124.200 123.155 1.045 1
1 20 . 14 1 1 A 4 4 ASN H H 4 8.500 9.182 -0.682 1
1 21 . 14 1 1 A 4 4 ASN HA H 4 4.970 5.311 -0.341 1
1 26 . 14 1 1 A 4 4 ASN CA C 4 51.200 50.692 0.508 1
1 27 . 14 1 1 A 4 4 ASN CB C 4 39.000 41.571 -2.571 1
1 28 . 14 1 1 A 4 4 ASN N N 4 120.700 119.006 1.694 1
1 30 . 14 1 1 A 5 5 PRO HA H 5 4.390 4.447 -0.057 1
1 37 . 14 1 1 A 5 5 PRO C C 5 176.800 176.719 0.081 1
1 38 . 14 1 1 A 5 5 PRO CA C 5 63.500 62.984 0.516 1
1 39 . 14 1 1 A 5 5 PRO CB C 5 32.200 31.508 0.692 1
1 42 . 14 1 1 A 6 6 MET H H 6 8.300 8.241 0.059 1
1 43 . 14 1 1 A 6 6 MET HA H 6 4.400 4.652 -0.252 1
1 51 . 14 1 1 A 6 6 MET C C 6 176.200 175.986 0.214 1
1 52 . 14 1 1 A 6 6 MET CA C 6 55.800 54.802 0.998 1
1 53 . 14 1 1 A 6 6 MET CB C 6 32.600 32.608 -0.008 1
1 56 . 14 1 1 A 6 6 MET N N 6 119.400 123.282 -3.882 1
1 57 . 14 1 1 A 7 7 VAL H H 7 7.980 8.913 -0.933 1
1 58 . 14 1 1 A 7 7 VAL HA H 7 4.080 4.900 -0.820 1
1 66 . 14 1 1 A 7 7 VAL C C 7 175.800 175.446 0.354 1
1 67 . 14 1 1 A 7 7 VAL CA C 7 62.400 59.397 3.003 1
1 68 . 14 1 1 A 7 7 VAL CB C 7 32.800 34.414 -1.614 1
1 71 . 14 1 1 A 7 7 VAL N N 7 121.500 118.046 3.454 1
1 72 . 14 1 1 A 8 8 ILE H H 8 8.140 8.908 -0.768 1
1 73 . 14 1 1 A 8 8 ILE HA H 8 4.120 4.991 -0.871 1
1 83 . 14 1 1 A 8 8 ILE C C 8 175.800 174.585 1.215 1
1 84 . 14 1 1 A 8 8 ILE CA C 8 60.900 59.051 1.849 1
1 85 . 14 1 1 A 8 8 ILE CB C 8 38.600 40.222 -1.622 1
1 89 . 14 1 1 A 8 8 ILE N N 8 124.500 122.812 1.688 1
1 90 . 14 1 1 A 9 9 ASN H H 9 8.450 8.719 -0.269 1
1 91 . 14 1 1 A 9 9 ASN HA H 9 4.630 5.239 -0.609 1
1 96 . 14 1 1 A 9 9 ASN C C 9 174.700 173.768 0.932 1
1 97 . 14 1 1 A 9 9 ASN CA C 9 53.200 52.482 0.718 1
1 98 . 14 1 1 A 9 9 ASN CB C 9 39.000 40.084 -1.084 1
1 99 . 14 1 1 A 9 9 ASN N N 9 122.700 121.572 1.128 1
1 101 . 14 1 1 A 10 10 ASN H H 10 8.320 8.566 -0.246 1
1 102 . 14 1 1 A 10 10 ASN HA H 10 4.680 4.948 -0.268 1
1 107 . 14 1 1 A 10 10 ASN C C 10 175.000 174.131 0.869 1
1 108 . 14 1 1 A 10 10 ASN CA C 10 53.100 52.153 0.947 1
1 109 . 14 1 1 A 10 10 ASN CB C 10 38.700 41.030 -2.330 1
1 110 . 14 1 1 A 10 10 ASN N N 10 119.600 122.412 -2.812 1
1 112 . 14 1 1 A 11 11 TRP H H 11 8.060 8.463 -0.403 1
1 113 . 14 1 1 A 11 11 TRP HA H 11 4.550 4.668 -0.118 1
1 122 . 14 1 1 A 11 11 TRP C C 11 176.200 175.180 1.020 1
1 123 . 14 1 1 A 11 11 TRP CA C 11 57.800 57.036 0.764 1
1 124 . 14 1 1 A 11 11 TRP CB C 11 29.300 29.401 -0.101 1
1 130 . 14 1 1 A 11 11 TRP N N 11 121.200 119.724 1.476 1
1 132 . 14 1 1 A 12 12 HIS H H 12 7.980 7.470 0.510 1
1 133 . 14 1 1 A 12 12 HIS HA H 12 4.410 5.324 -0.914 1
1 137 . 14 1 1 A 12 12 HIS C C 12 174.400 173.686 0.714 1
1 138 . 14 1 1 A 12 12 HIS CA C 12 56.200 54.601 1.599 1
1 139 . 14 1 1 A 12 12 HIS CB C 12 29.600 33.815 -4.215 1
1 141 . 14 1 1 A 12 12 HIS N N 12 119.900 117.741 2.159 1
1 142 . 14 1 1 A 13 13 ASP H H 13 8.130 8.929 -0.799 1
1 143 . 14 1 1 A 13 13 ASP HA H 13 4.470 5.046 -0.576 1
1 146 . 14 1 1 A 13 13 ASP C C 13 176.100 174.566 1.534 1
1 147 . 14 1 1 A 13 13 ASP CA C 13 54.700 53.435 1.265 1
1 148 . 14 1 1 A 13 13 ASP CB C 13 41.100 41.971 -0.871 1
1 149 . 14 1 1 A 13 13 ASP N N 13 120.600 123.395 -2.795 1
1 150 . 14 1 1 A 14 14 LYS H H 14 8.150 8.764 -0.614 1
1 151 . 14 1 1 A 14 14 LYS HA H 14 4.270 4.862 -0.592 1
1 160 . 14 1 1 A 14 14 LYS C C 14 176.600 176.434 0.166 1
1 161 . 14 1 1 A 14 14 LYS CA C 14 56.500 55.133 1.367 1
1 162 . 14 1 1 A 14 14 LYS CB C 14 32.900 33.291 -0.391 1
1 166 . 14 1 1 A 14 14 LYS N N 14 120.900 125.901 -5.001 1
1 167 . 14 1 1 A 15 15 LEU H H 15 8.220 8.520 -0.300 1
1 168 . 14 1 1 A 15 15 LEU HA H 15 4.360 4.181 0.179 1
1 178 . 14 1 1 A 15 15 LEU C C 15 177.600 176.310 1.290 1
1 179 . 14 1 1 A 15 15 LEU CA C 15 55.600 56.920 -1.320 1
1 180 . 14 1 1 A 15 15 LEU CB C 15 42.200 43.152 -0.952 1
1 184 . 14 1 1 A 15 15 LEU N N 15 122.500 126.539 -4.039 1
1 185 . 14 1 1 A 16 16 THR H H 16 8.090 7.946 0.144 1
1 186 . 14 1 1 A 16 16 THR HA H 16 4.340 4.418 -0.078 1
1 191 . 14 1 1 A 16 16 THR C C 16 174.700 173.299 1.401 1
1 192 . 14 1 1 A 16 16 THR CA C 16 61.700 63.884 -2.184 1
1 193 . 14 1 1 A 16 16 THR CB C 16 70.000 67.788 2.212 1
1 195 . 14 1 1 A 16 16 THR N N 16 113.800 112.234 1.566 1
1 196 . 14 1 1 A 17 17 GLU H H 17 8.400 8.794 -0.394 1
1 197 . 14 1 1 A 17 17 GLU HA H 17 4.330 4.482 -0.152 1
1 202 . 14 1 1 A 17 17 GLU C C 17 176.500 177.481 -0.981 1
1 203 . 14 1 1 A 17 17 GLU CA C 17 56.900 55.975 0.925 1
1 204 . 14 1 1 A 17 17 GLU CB C 17 30.200 29.444 0.756 1
1 206 . 14 1 1 A 17 17 GLU N N 17 122.700 124.925 -2.225 1
1 207 . 14 1 1 A 18 18 THR H H 18 8.040 8.645 -0.605 1
1 208 . 14 1 1 A 18 18 THR HA H 18 4.350 4.058 0.292 1
1 213 . 14 1 1 A 18 18 THR C C 18 174.000 176.599 -2.599 1
1 214 . 14 1 1 A 18 18 THR CA C 18 61.700 65.078 -3.378 1
1 215 . 14 1 1 A 18 18 THR CB C 18 69.800 67.977 1.823 1
1 217 . 14 1 1 A 18 18 THR N N 18 113.600 118.618 -5.018 1
1 218 . 14 1 1 A 19 19 ASP H H 19 8.290 7.880 0.410 1
1 219 . 14 1 1 A 19 19 ASP HA H 19 4.640 4.686 -0.046 1
1 222 . 14 1 1 A 19 19 ASP C C 19 175.500 176.081 -0.581 1
1 223 . 14 1 1 A 19 19 ASP CA C 19 54.500 54.485 0.015 1
1 224 . 14 1 1 A 19 19 ASP CB C 19 41.200 41.760 -0.560 1
1 225 . 14 1 1 A 19 19 ASP N N 19 122.900 120.866 2.034 1
1 226 . 14 1 1 A 20 20 VAL H H 20 7.900 7.573 0.327 1
1 227 . 14 1 1 A 20 20 VAL HA H 20 4.200 4.060 0.140 1
1 235 . 14 1 1 A 20 20 VAL C C 20 175.400 175.578 -0.178 1
1 236 . 14 1 1 A 20 20 VAL CA C 20 61.900 62.395 -0.495 1
1 237 . 14 1 1 A 20 20 VAL CB C 20 33.500 31.509 1.991 1
1 240 . 14 1 1 A 20 20 VAL N N 20 119.900 120.483 -0.583 1
1 241 . 14 1 1 A 21 21 GLN H H 21 8.490 8.436 0.054 1
1 242 . 14 1 1 A 21 21 GLN HA H 21 4.510 4.972 -0.462 1
1 249 . 14 1 1 A 21 21 GLN C C 21 173.800 173.736 0.064 1
1 250 . 14 1 1 A 21 21 GLN CA C 21 54.700 53.580 1.120 1
1 251 . 14 1 1 A 21 21 GLN CB C 21 31.600 32.726 -1.126 1
1 253 . 14 1 1 A 21 21 GLN N N 21 124.800 123.806 0.994 1
1 255 . 14 1 1 A 22 22 ILE H H 22 8.070 8.701 -0.631 1
1 256 . 14 1 1 A 22 22 ILE HA H 22 4.820 4.639 0.181 1
1 266 . 14 1 1 A 22 22 ILE C C 22 175.500 175.461 0.039 1
1 267 . 14 1 1 A 22 22 ILE CA C 22 58.700 59.361 -0.661 1
1 268 . 14 1 1 A 22 22 ILE CB C 22 39.800 41.591 -1.791 1
1 272 . 14 1 1 A 22 22 ILE N N 22 120.500 121.653 -1.153 1
1 273 . 14 1 1 A 23 23 ASP H H 23 9.340 8.724 0.616 1
1 274 . 14 1 1 A 23 23 ASP HA H 23 4.570 5.235 -0.665 1
1 277 . 14 1 1 A 23 23 ASP C C 23 178.600 176.295 2.305 1
1 278 . 14 1 1 A 23 23 ASP CA C 23 51.700 52.640 -0.940 1
1 279 . 14 1 1 A 23 23 ASP CB C 23 42.900 41.207 1.693 1
1 280 . 14 1 1 A 23 23 ASP N N 23 128.000 124.751 3.249 1
1 281 . 14 1 1 A 24 24 PHE H H 24 8.860 9.004 -0.144 1
1 282 . 14 1 1 A 24 24 PHE HA H 24 3.960 3.986 -0.026 1
1 290 . 14 1 1 A 24 24 PHE C C 24 175.800 176.936 -1.136 1
1 291 . 14 1 1 A 24 24 PHE CA C 24 61.600 61.508 0.092 1
1 292 . 14 1 1 A 24 24 PHE CB C 24 41.800 38.914 2.886 1
1 298 . 14 1 1 A 24 24 PHE N N 24 118.500 119.500 -1.000 1
1 299 . 14 1 1 A 25 25 TYR H H 25 8.340 7.637 0.703 1
1 300 . 14 1 1 A 25 25 TYR HA H 25 4.400 4.451 -0.051 1
1 307 . 14 1 1 A 25 25 TYR C C 25 175.700 175.918 -0.218 1
1 308 . 14 1 1 A 25 25 TYR CA C 25 59.200 58.275 0.925 1
1 309 . 14 1 1 A 25 25 TYR CB C 25 38.700 38.602 0.098 1
1 314 . 14 1 1 A 25 25 TYR N N 25 114.500 114.926 -0.426 1
1 315 . 14 1 1 A 26 26 GLY H H 26 8.460 7.521 0.939 1
1 316 . 14 1 1 A 26 26 GLY HA2 H 26 4.230 3.949 0.281 1
1 317 . 14 1 1 A 26 26 GLY HA3 H 26 3.500 3.953 -0.453 1
1 318 . 14 1 1 A 26 26 GLY C C 26 174.700 174.562 0.138 1
1 319 . 14 1 1 A 26 26 GLY CA C 26 45.200 46.197 -0.997 1
1 320 . 14 1 1 A 26 26 GLY N N 26 109.700 108.492 1.208 1
1 321 . 14 1 1 A 27 27 ASP H H 27 8.400 8.037 0.363 1
1 322 . 14 1 1 A 27 27 ASP HA H 27 4.330 4.763 -0.433 1
1 325 . 14 1 1 A 27 27 ASP C C 27 175.700 175.596 0.104 1
1 326 . 14 1 1 A 27 27 ASP CA C 27 56.700 55.737 0.963 1
1 327 . 14 1 1 A 27 27 ASP CB C 27 30.300 41.149 -10.849 1
1 328 . 14 1 1 A 27 27 ASP N N 27 122.700 120.868 1.832 1
1 329 . 14 1 1 A 28 28 GLU H H 28 7.960 7.700 0.260 1
1 330 . 14 1 1 A 28 28 GLU HA H 28 4.280 4.583 -0.303 1
1 335 . 14 1 1 A 28 28 GLU C C 28 175.200 173.901 1.299 1
1 336 . 14 1 1 A 28 28 GLU CA C 28 57.400 56.287 1.113 1
1 337 . 14 1 1 A 28 28 GLU CB C 28 30.500 33.455 -2.955 1
1 339 . 14 1 1 A 28 28 GLU N N 28 126.100 117.352 8.748 1
1 340 . 14 1 1 A 29 29 VAL H H 29 8.550 8.645 -0.095 1
1 341 . 14 1 1 A 29 29 VAL HA H 29 4.180 4.784 -0.604 1
1 349 . 14 1 1 A 29 29 VAL C C 29 176.000 175.443 0.557 1
1 350 . 14 1 1 A 29 29 VAL CA C 29 61.500 61.004 0.496 1
1 351 . 14 1 1 A 29 29 VAL CB C 29 32.300 34.128 -1.828 1
1 354 . 14 1 1 A 29 29 VAL N N 29 123.500 125.319 -1.819 1
1 355 . 14 1 1 A 30 30 THR H H 30 9.720 8.975 0.745 1
1 356 . 14 1 1 A 30 30 THR HA H 30 5.010 4.912 0.098 1
1 361 . 14 1 1 A 30 30 THR CA C 30 60.800 58.890 1.910 1
1 362 . 14 1 1 A 30 30 THR CB C 30 68.700 70.599 -1.899 1
1 364 . 14 1 1 A 30 30 THR N N 30 122.300 118.142 4.158 1
1 365 . 14 1 1 A 31 31 PRO HA H 31 4.510 4.614 -0.104 1
1 372 . 14 1 1 A 31 31 PRO C C 31 176.400 176.496 -0.096 1
1 373 . 14 1 1 A 31 31 PRO CA C 31 65.200 64.121 1.079 1
1 374 . 14 1 1 A 31 31 PRO CB C 31 32.600 31.449 1.151 1
1 377 . 14 1 1 A 32 32 VAL H H 32 6.830 7.428 -0.598 1
1 378 . 14 1 1 A 32 32 VAL HA H 32 4.450 4.354 0.096 1
1 386 . 14 1 1 A 32 32 VAL C C 32 175.700 174.618 1.082 1
1 387 . 14 1 1 A 32 32 VAL CA C 32 60.600 61.592 -0.992 1
1 388 . 14 1 1 A 32 32 VAL CB C 32 31.200 32.288 -1.088 1
1 391 . 14 1 1 A 32 32 VAL N N 32 105.600 116.094 -10.494 1
1 392 . 14 1 1 A 33 33 ASP H H 33 7.800 7.668 0.132 1
1 393 . 14 1 1 A 33 33 ASP HA H 33 4.910 5.161 -0.251 1
1 396 . 14 1 1 A 33 33 ASP C C 33 174.900 174.847 0.053 1
1 397 . 14 1 1 A 33 33 ASP CA C 33 55.100 53.053 2.047 1
1 398 . 14 1 1 A 33 33 ASP CB C 33 43.900 44.660 -0.760 1
1 399 . 14 1 1 A 33 33 ASP N N 33 122.100 121.416 0.684 1
1 400 . 14 1 1 A 34 34 ASP H H 34 8.810 8.576 0.234 1
1 401 . 14 1 1 A 34 34 ASP HA H 34 5.060 5.262 -0.202 1
1 404 . 14 1 1 A 34 34 ASP C C 34 176.500 174.903 1.597 1
1 405 . 14 1 1 A 34 34 ASP CA C 34 53.700 53.545 0.155 1
1 406 . 14 1 1 A 34 34 ASP CB C 34 41.600 41.958 -0.358 1
1 407 . 14 1 1 A 34 34 ASP N N 34 121.800 122.132 -0.332 1
1 408 . 14 1 1 A 35 35 TYR H H 35 8.570 8.505 0.065 1
1 409 . 14 1 1 A 35 35 TYR HA H 35 5.220 5.458 -0.238 1
1 416 . 14 1 1 A 35 35 TYR C C 35 171.800 172.937 -1.137 1
1 417 . 14 1 1 A 35 35 TYR CA C 35 56.300 55.975 0.325 1
1 418 . 14 1 1 A 35 35 TYR CB C 35 40.700 41.921 -1.221 1
1 423 . 14 1 1 A 35 35 TYR N N 35 117.900 120.324 -2.424 1
1 424 . 14 1 1 A 36 36 VAL H H 36 9.340 9.070 0.270 1
1 425 . 14 1 1 A 36 36 VAL HA H 36 4.660 4.729 -0.069 1
1 433 . 14 1 1 A 36 36 VAL C C 36 173.300 174.722 -1.422 1
1 434 . 14 1 1 A 36 36 VAL CA C 36 59.300 60.818 -1.518 1
1 435 . 14 1 1 A 36 36 VAL CB C 36 35.100 35.726 -0.626 1
1 438 . 14 1 1 A 36 36 VAL N N 36 120.700 119.335 1.365 1
1 439 . 14 1 1 A 37 37 ILE H H 37 8.820 8.913 -0.093 1
1 440 . 14 1 1 A 37 37 ILE HA H 37 4.820 5.095 -0.275 1
1 450 . 14 1 1 A 37 37 ILE C C 37 175.500 173.914 1.586 1
1 451 . 14 1 1 A 37 37 ILE CA C 37 59.700 59.756 -0.056 1
1 452 . 14 1 1 A 37 37 ILE CB C 37 40.600 38.873 1.727 1
1 456 . 14 1 1 A 37 37 ILE N N 37 124.100 127.558 -3.458 1
1 457 . 14 1 1 A 38 38 ASP H H 38 8.280 9.034 -0.754 1
1 458 . 14 1 1 A 38 38 ASP HA H 38 4.430 4.824 -0.394 1
1 461 . 14 1 1 A 38 38 ASP C C 38 177.000 176.571 0.429 1
1 462 . 14 1 1 A 38 38 ASP CA C 38 51.400 52.958 -1.558 1
1 463 . 14 1 1 A 38 38 ASP CB C 38 41.200 41.243 -0.043 1
1 464 . 14 1 1 A 38 38 ASP N N 38 126.600 126.965 -0.365 1
1 465 . 14 1 1 A 39 39 GLY H H 39 8.910 8.275 0.635 1
1 466 . 14 1 1 A 39 39 GLY HA2 H 39 3.640 3.925 -0.285 1
1 467 . 14 1 1 A 39 39 GLY HA3 H 39 3.850 3.954 -0.104 1
1 468 . 14 1 1 A 39 39 GLY C C 39 174.500 174.226 0.274 1
1 469 . 14 1 1 A 39 39 GLY CA C 39 47.600 45.402 2.198 1
1 470 . 14 1 1 A 39 39 GLY N N 39 114.900 113.943 0.957 1
1 471 . 14 1 1 A 40 40 GLY H H 40 8.220 8.318 -0.098 1
1 472 . 14 1 1 A 40 40 GLY HA2 H 40 3.900 4.076 -0.176 1
1 473 . 14 1 1 A 40 40 GLY HA3 H 40 3.900 4.082 -0.182 1
1 474 . 14 1 1 A 40 40 GLY C C 40 173.900 174.685 -0.785 1
1 475 . 14 1 1 A 40 40 GLY CA C 40 45.000 45.476 -0.476 1
1 476 . 14 1 1 A 40 40 GLY N N 40 112.200 107.066 5.134 1
1 477 . 14 1 1 A 41 41 GLU H H 41 7.770 7.605 0.165 1
1 478 . 14 1 1 A 41 41 GLU HA H 41 4.750 4.478 0.272 1
1 483 . 14 1 1 A 41 41 GLU C C 41 174.800 175.990 -1.190 1
1 484 . 14 1 1 A 41 41 GLU CA C 41 54.300 56.462 -2.162 1
1 485 . 14 1 1 A 41 41 GLU CB C 41 30.300 30.795 -0.495 1
1 487 . 14 1 1 A 41 41 GLU N N 41 120.200 120.520 -0.320 1
1 488 . 14 1 1 A 42 42 ILE H H 42 8.720 8.600 0.120 1
1 489 . 14 1 1 A 42 42 ILE HA H 42 4.780 4.737 0.043 1
1 499 . 14 1 1 A 42 42 ILE C C 42 174.800 175.283 -0.483 1
1 500 . 14 1 1 A 42 42 ILE CA C 42 59.200 60.714 -1.514 1
1 501 . 14 1 1 A 42 42 ILE CB C 42 40.300 38.265 2.035 1
1 505 . 14 1 1 A 42 42 ILE N N 42 122.000 124.826 -2.826 1
1 506 . 14 1 1 A 43 43 ILE H H 43 9.230 9.107 0.123 1
1 507 . 14 1 1 A 43 43 ILE HA H 43 4.480 4.709 -0.229 1
1 517 . 14 1 1 A 43 43 ILE C C 43 176.400 175.574 0.826 1
1 518 . 14 1 1 A 43 43 ILE CA C 43 61.000 60.254 0.746 1
1 519 . 14 1 1 A 43 43 ILE CB C 43 42.300 41.424 0.876 1
1 523 . 14 1 1 A 43 43 ILE N N 43 126.400 128.202 -1.802 1
1 524 . 14 1 1 A 44 44 LEU H H 44 10.930 8.725 2.205 1
1 525 . 14 1 1 A 44 44 LEU HA H 44 4.280 4.409 -0.129 1
1 535 . 14 1 1 A 44 44 LEU C C 44 179.300 178.206 1.094 1
1 536 . 14 1 1 A 44 44 LEU CA C 44 56.500 55.660 0.840 1
1 537 . 14 1 1 A 44 44 LEU CB C 44 42.600 43.814 -1.214 1
1 541 . 14 1 1 A 44 44 LEU N N 44 130.900 129.198 1.702 1
1 542 . 14 1 1 A 45 45 ARG H H 45 8.610 9.009 -0.399 1
1 543 . 14 1 1 A 45 45 ARG HA H 45 3.890 3.971 -0.081 1
1 551 . 14 1 1 A 45 45 ARG C C 45 179.300 178.165 1.135 1
1 552 . 14 1 1 A 45 45 ARG CA C 45 60.200 59.437 0.763 1
1 553 . 14 1 1 A 45 45 ARG CB C 45 29.400 29.973 -0.573 1
1 556 . 14 1 1 A 45 45 ARG N N 45 125.400 126.554 -1.154 1
1 558 . 14 1 1 A 46 46 GLU H H 46 9.020 7.747 1.273 1
1 559 . 14 1 1 A 46 46 GLU HA H 46 4.210 4.105 0.105 1
1 564 . 14 1 1 A 46 46 GLU C C 46 176.700 177.573 -0.873 1
1 565 . 14 1 1 A 46 46 GLU CA C 46 59.000 58.614 0.386 1
1 566 . 14 1 1 A 46 46 GLU CB C 46 29.600 29.676 -0.076 1
1 568 . 14 1 1 A 46 46 GLU N N 46 117.500 119.084 -1.584 1
1 569 . 14 1 1 A 47 47 ASN H H 47 7.870 7.926 -0.056 1
1 570 . 14 1 1 A 47 47 ASN HA H 47 5.100 4.718 0.382 1
1 573 . 14 1 1 A 47 47 ASN C C 47 175.200 175.984 -0.784 1
1 574 . 14 1 1 A 47 47 ASN CA C 47 52.800 52.928 -0.128 1
1 575 . 14 1 1 A 47 47 ASN CB C 47 40.500 39.250 1.250 1
1 576 . 14 1 1 A 47 47 ASN N N 47 115.900 115.771 0.129 1
1 577 . 14 1 1 A 48 48 LEU H H 48 7.760 7.730 0.030 1
1 578 . 14 1 1 A 48 48 LEU HA H 48 4.060 4.167 -0.107 1
1 588 . 14 1 1 A 48 48 LEU C C 48 177.200 178.369 -1.169 1
1 589 . 14 1 1 A 48 48 LEU CA C 48 59.000 58.327 0.673 1
1 590 . 14 1 1 A 48 48 LEU CB C 48 42.800 42.025 0.775 1
1 594 . 14 1 1 A 48 48 LEU N N 48 122.300 121.957 0.343 1
1 595 . 14 1 1 A 49 49 GLU H H 49 8.770 8.264 0.506 1
1 596 . 14 1 1 A 49 49 GLU HA H 49 3.670 4.141 -0.471 1
1 601 . 14 1 1 A 49 49 GLU C C 49 176.200 178.948 -2.748 1
1 602 . 14 1 1 A 49 49 GLU CA C 49 61.300 59.110 2.190 1
1 603 . 14 1 1 A 49 49 GLU CB C 49 28.200 29.243 -1.043 1
1 605 . 14 1 1 A 49 49 GLU N N 49 118.800 117.804 0.996 1
1 606 . 14 1 1 A 50 50 ARG H H 50 8.000 7.941 0.059 1
1 607 . 14 1 1 A 50 50 ARG HA H 50 3.860 4.157 -0.297 1
1 615 . 14 1 1 A 50 50 ARG C C 50 174.100 178.406 -4.306 1
1 616 . 14 1 1 A 50 50 ARG CA C 50 60.100 58.843 1.257 1
1 617 . 14 1 1 A 50 50 ARG CB C 50 29.900 30.195 -0.295 1
1 620 . 14 1 1 A 50 50 ARG N N 50 119.100 121.036 -1.936 1
1 622 . 14 1 1 A 51 51 TYR H H 51 8.250 8.225 0.025 1
1 623 . 14 1 1 A 51 51 TYR HA H 51 4.610 4.114 0.496 1
1 630 . 14 1 1 A 51 51 TYR C C 51 178.500 177.280 1.220 1
1 631 . 14 1 1 A 51 51 TYR CA C 51 61.700 61.389 0.311 1
1 632 . 14 1 1 A 51 51 TYR CB C 51 40.000 38.708 1.292 1
1 637 . 14 1 1 A 51 51 TYR N N 51 120.400 120.881 -0.481 1
1 638 . 14 1 1 A 52 52 LEU H H 52 9.030 8.465 0.565 1
1 639 . 14 1 1 A 52 52 LEU HA H 52 3.690 3.702 -0.012 1
1 649 . 14 1 1 A 52 52 LEU C C 52 180.000 178.749 1.251 1
1 650 . 14 1 1 A 52 52 LEU CA C 52 57.600 57.579 0.021 1
1 651 . 14 1 1 A 52 52 LEU CB C 52 40.800 41.191 -0.391 1
1 655 . 14 1 1 A 52 52 LEU N N 52 118.300 119.357 -1.057 1
1 656 . 14 1 1 A 53 53 ARG H H 53 8.530 7.847 0.683 1
1 657 . 14 1 1 A 53 53 ARG HA H 53 4.820 3.865 0.955 1
1 665 . 14 1 1 A 53 53 ARG C C 53 179.100 178.646 0.454 1
1 666 . 14 1 1 A 53 53 ARG CA C 53 59.300 59.795 -0.495 1
1 667 . 14 1 1 A 53 53 ARG CB C 53 31.900 29.868 2.032 1
1 670 . 14 1 1 A 53 53 ARG N N 53 119.400 120.194 -0.794 1
1 672 . 14 1 1 A 54 54 GLU H H 54 9.090 7.933 1.157 1
1 673 . 14 1 1 A 54 54 GLU HA H 54 4.100 4.174 -0.074 1
1 678 . 14 1 1 A 54 54 GLU C C 54 178.700 177.948 0.752 1
1 679 . 14 1 1 A 54 54 GLU CA C 54 59.300 58.319 0.981 1
1 680 . 14 1 1 A 54 54 GLU CB C 54 31.000 30.118 0.882 1
1 682 . 14 1 1 A 54 54 GLU N N 54 116.700 118.092 -1.392 1
1 683 . 14 1 1 A 55 55 GLN H H 55 8.760 7.474 1.286 1
1 684 . 14 1 1 A 55 55 GLN HA H 55 4.290 4.092 0.198 1
1 691 . 14 1 1 A 55 55 GLN C C 55 177.700 175.584 2.116 1
1 692 . 14 1 1 A 55 55 GLN CA C 55 55.800 57.594 -1.794 1
1 693 . 14 1 1 A 55 55 GLN CB C 55 28.000 29.041 -1.041 1
1 695 . 14 1 1 A 55 55 GLN N N 55 113.900 119.342 -5.442 1
1 697 . 14 1 1 A 56 56 LEU H H 56 6.650 7.449 -0.799 1
1 698 . 14 1 1 A 56 56 LEU HA H 56 4.700 3.595 1.105 1
1 708 . 14 1 1 A 56 56 LEU C C 56 178.000 176.354 1.646 1
1 709 . 14 1 1 A 56 56 LEU CA C 56 55.300 55.922 -0.622 1
1 710 . 14 1 1 A 56 56 LEU CB C 56 43.800 39.871 3.929 1
1 714 . 14 1 1 A 56 56 LEU N N 56 116.200 120.521 -4.321 1
1 715 . 14 1 1 A 57 57 GLY H H 57 7.160 7.697 -0.537 1
1 716 . 14 1 1 A 57 57 GLY HA2 H 57 4.070 3.926 0.144 1
1 717 . 14 1 1 A 57 57 GLY HA3 H 57 4.070 4.096 -0.026 1
1 718 . 14 1 1 A 57 57 GLY C C 57 175.000 174.199 0.801 1
1 719 . 14 1 1 A 57 57 GLY CA C 57 46.900 45.206 1.694 1
1 720 . 14 1 1 A 57 57 GLY N N 57 109.000 105.734 3.266 1
1 721 . 14 1 1 A 58 58 PHE H H 58 8.480 7.665 0.815 1
1 722 . 14 1 1 A 58 58 PHE HA H 58 4.690 4.570 0.120 1
1 730 . 14 1 1 A 58 58 PHE C C 58 175.700 173.736 1.964 1
1 731 . 14 1 1 A 58 58 PHE CA C 58 57.900 59.837 -1.937 1
1 732 . 14 1 1 A 58 58 PHE CB C 58 39.500 37.225 2.275 1
1 738 . 14 1 1 A 58 58 PHE N N 58 123.100 116.679 6.421 1
1 739 . 14 1 1 A 59 59 GLU H H 59 8.440 8.595 -0.155 1
1 740 . 14 1 1 A 59 59 GLU HA H 59 4.820 4.876 -0.056 1
1 745 . 14 1 1 A 59 59 GLU C C 59 174.700 175.375 -0.675 1
1 746 . 14 1 1 A 59 59 GLU CA C 59 54.600 55.225 -0.625 1
1 747 . 14 1 1 A 59 59 GLU CB C 59 32.800 30.885 1.915 1
1 749 . 14 1 1 A 59 59 GLU N N 59 118.600 121.299 -2.699 1
1 750 . 14 1 1 A 60 60 PHE H H 60 9.110 8.909 0.201 1
1 751 . 14 1 1 A 60 60 PHE HA H 60 4.470 4.840 -0.370 1
1 759 . 14 1 1 A 60 60 PHE C C 60 175.100 175.612 -0.512 1
1 760 . 14 1 1 A 60 60 PHE CA C 60 58.100 57.769 0.331 1
1 761 . 14 1 1 A 60 60 PHE CB C 60 39.900 38.930 0.970 1
1 767 . 14 1 1 A 60 60 PHE N N 60 124.300 125.318 -1.018 1
1 768 . 14 1 1 A 61 61 LYS H H 61 8.510 8.672 -0.162 1
1 769 . 14 1 1 A 61 61 LYS HA H 61 4.360 4.588 -0.228 1
1 778 . 14 1 1 A 61 61 LYS C C 61 174.700 176.113 -1.413 1
1 779 . 14 1 1 A 61 61 LYS CA C 61 53.800 55.331 -1.531 1
1 780 . 14 1 1 A 61 61 LYS CB C 61 31.300 32.135 -0.835 1
1 784 . 14 1 1 A 61 61 LYS N N 61 124.900 124.377 0.523 1
1 785 . 14 1 1 A 62 62 ASN H H 62 8.400 7.487 0.913 1
1 786 . 14 1 1 A 62 62 ASN HA H 62 4.910 4.582 0.328 1
1 789 . 14 1 1 A 62 62 ASN C C 62 175.500 175.568 -0.068 1
1 790 . 14 1 1 A 62 62 ASN CA C 62 52.400 54.003 -1.603 1
1 791 . 14 1 1 A 62 62 ASN CB C 62 39.400 39.011 0.389 1
1 792 . 14 1 1 A 62 62 ASN N N 62 121.800 119.162 2.638 1
1 793 . 14 1 1 A 63 63 ALA H H 63 8.960 8.693 0.267 1
1 794 . 14 1 1 A 63 63 ALA HA H 63 4.170 4.486 -0.316 1
1 798 . 14 1 1 A 63 63 ALA C C 63 178.200 177.878 0.322 1
1 799 . 14 1 1 A 63 63 ALA CA C 63 53.300 51.612 1.688 1
1 800 . 14 1 1 A 63 63 ALA CB C 63 19.300 17.589 1.711 1
1 801 . 14 1 1 A 63 63 ALA N N 63 126.200 128.982 -2.782 1
1 802 . 14 1 1 A 64 64 GLN H H 64 8.570 8.091 0.479 1
1 803 . 14 1 1 A 64 64 GLN HA H 64 4.280 4.091 0.189 1
1 810 . 14 1 1 A 64 64 GLN C C 64 176.200 176.469 -0.269 1
1 811 . 14 1 1 A 64 64 GLN CA C 64 56.300 58.078 -1.778 1
1 812 . 14 1 1 A 64 64 GLN CB C 64 29.400 29.001 0.399 1
1 814 . 14 1 1 A 64 64 GLN N N 64 119.900 120.466 -0.566 1
1 816 . 14 1 1 A 65 65 LEU H H 65 8.080 8.052 0.028 1
1 817 . 14 1 1 A 65 65 LEU HA H 65 4.320 4.323 -0.003 1
1 827 . 14 1 1 A 65 65 LEU C C 65 177.200 177.094 0.106 1
1 828 . 14 1 1 A 65 65 LEU CA C 65 55.300 55.632 -0.332 1
1 829 . 14 1 1 A 65 65 LEU CB C 65 42.700 40.903 1.797 1
1 833 . 14 1 1 A 65 65 LEU N N 65 121.700 120.052 1.648 1
1 834 . 14 1 1 A 66 66 GLU H H 66 8.290 8.918 -0.628 1
1 835 . 14 1 1 A 66 66 GLU HA H 66 4.190 4.516 -0.326 1
1 840 . 14 1 1 A 66 66 GLU C C 66 176.300 175.288 1.012 1
1 841 . 14 1 1 A 66 66 GLU CA C 66 56.800 56.902 -0.102 1
1 842 . 14 1 1 A 66 66 GLU CB C 66 30.400 29.878 0.522 1
1 844 . 14 1 1 A 66 66 GLU N N 66 120.400 124.489 -4.089 1
1 845 . 14 1 1 A 67 67 HIS H H 67 8.280 7.547 0.733 1
1 846 . 14 1 1 A 67 67 HIS HA H 67 4.620 5.061 -0.441 1
1 850 . 14 1 1 A 67 67 HIS C C 67 173.900 173.590 0.310 1
1 851 . 14 1 1 A 67 67 HIS CA C 67 55.900 54.197 1.703 1
1 852 . 14 1 1 A 67 67 HIS CB C 67 30.100 30.767 -0.667 1
1 854 . 14 1 1 A 67 67 HIS N N 67 119.300 118.694 0.606 1
1 855 . 14 1 1 A 68 68 HIS H H 68 8.180 9.086 -0.906 1
1 856 . 14 1 1 A 68 68 HIS HA H 68 4.440 5.035 -0.595 1
1 859 . 14 1 1 A 68 68 HIS CA C 68 57.300 54.448 2.852 1
1 860 . 14 1 1 A 68 68 HIS CB C 68 30.200 30.651 -0.451 1
1 861 . 14 1 1 A 68 68 HIS N N 68 125.300 123.329 1.971 1
1 2 . 15 1 1 A 2 2 VAL H H 2 8.100 8.561 -0.461 1
1 3 . 15 1 1 A 2 2 VAL HA H 2 4.090 4.395 -0.305 1
1 5 . 15 1 1 A 2 2 VAL C C 2 176.500 174.622 1.878 1
1 6 . 15 1 1 A 2 2 VAL CA C 2 62.300 61.535 0.765 1
1 7 . 15 1 1 A 2 2 VAL CB C 2 32.700 30.910 1.790 1
1 8 . 15 1 1 A 2 2 VAL N N 2 124.800 121.043 3.757 1
1 9 . 15 1 1 A 3 3 GLU H H 3 8.500 8.489 0.011 1
1 10 . 15 1 1 A 3 3 GLU HA H 3 4.280 4.559 -0.279 1
1 15 . 15 1 1 A 3 3 GLU C C 3 175.900 176.410 -0.510 1
1 16 . 15 1 1 A 3 3 GLU CA C 3 56.500 56.229 0.271 1
1 17 . 15 1 1 A 3 3 GLU CB C 3 30.400 31.028 -0.628 1
1 19 . 15 1 1 A 3 3 GLU N N 3 124.200 128.017 -3.817 1
1 20 . 15 1 1 A 4 4 ASN H H 4 8.500 9.004 -0.504 1
1 21 . 15 1 1 A 4 4 ASN HA H 4 4.970 4.293 0.677 1
1 26 . 15 1 1 A 4 4 ASN CA C 4 51.200 53.804 -2.604 1
1 27 . 15 1 1 A 4 4 ASN CB C 4 39.000 36.885 2.115 1
1 28 . 15 1 1 A 4 4 ASN N N 4 120.700 122.286 -1.586 1
1 30 . 15 1 1 A 5 5 PRO HA H 5 4.390 4.492 -0.102 1
1 37 . 15 1 1 A 5 5 PRO C C 5 176.800 176.384 0.416 1
1 38 . 15 1 1 A 5 5 PRO CA C 5 63.500 64.121 -0.621 1
1 39 . 15 1 1 A 5 5 PRO CB C 5 32.200 32.072 0.128 1
1 42 . 15 1 1 A 6 6 MET H H 6 8.300 7.607 0.693 1
1 43 . 15 1 1 A 6 6 MET HA H 6 4.400 4.723 -0.323 1
1 51 . 15 1 1 A 6 6 MET C C 6 176.200 174.028 2.172 1
1 52 . 15 1 1 A 6 6 MET CA C 6 55.800 54.397 1.403 1
1 53 . 15 1 1 A 6 6 MET CB C 6 32.600 35.323 -2.723 1
1 56 . 15 1 1 A 6 6 MET N N 6 119.400 114.922 4.478 1
1 57 . 15 1 1 A 7 7 VAL H H 7 7.980 8.568 -0.588 1
1 58 . 15 1 1 A 7 7 VAL HA H 7 4.080 4.198 -0.118 1
1 66 . 15 1 1 A 7 7 VAL C C 7 175.800 175.035 0.765 1
1 67 . 15 1 1 A 7 7 VAL CA C 7 62.400 61.899 0.501 1
1 68 . 15 1 1 A 7 7 VAL CB C 7 32.800 32.657 0.143 1
1 71 . 15 1 1 A 7 7 VAL N N 7 121.500 122.229 -0.729 1
1 72 . 15 1 1 A 8 8 ILE H H 8 8.140 8.519 -0.379 1
1 73 . 15 1 1 A 8 8 ILE HA H 8 4.120 5.070 -0.950 1
1 83 . 15 1 1 A 8 8 ILE C C 8 175.800 174.797 1.003 1
1 84 . 15 1 1 A 8 8 ILE CA C 8 60.900 59.764 1.136 1
1 85 . 15 1 1 A 8 8 ILE CB C 8 38.600 40.417 -1.817 1
1 89 . 15 1 1 A 8 8 ILE N N 8 124.500 124.241 0.259 1
1 90 . 15 1 1 A 9 9 ASN H H 9 8.450 8.904 -0.454 1
1 91 . 15 1 1 A 9 9 ASN HA H 9 4.630 4.929 -0.299 1
1 96 . 15 1 1 A 9 9 ASN C C 9 174.700 174.554 0.146 1
1 97 . 15 1 1 A 9 9 ASN CA C 9 53.200 54.631 -1.431 1
1 98 . 15 1 1 A 9 9 ASN CB C 9 39.000 39.785 -0.785 1
1 99 . 15 1 1 A 9 9 ASN N N 9 122.700 126.477 -3.777 1
1 101 . 15 1 1 A 10 10 ASN H H 10 8.320 8.003 0.317 1
1 102 . 15 1 1 A 10 10 ASN HA H 10 4.680 5.165 -0.485 1
1 107 . 15 1 1 A 10 10 ASN C C 10 175.000 172.904 2.096 1
1 108 . 15 1 1 A 10 10 ASN CA C 10 53.100 52.404 0.696 1
1 109 . 15 1 1 A 10 10 ASN CB C 10 38.700 41.192 -2.492 1
1 110 . 15 1 1 A 10 10 ASN N N 10 119.600 111.868 7.732 1
1 112 . 15 1 1 A 11 11 TRP H H 11 8.060 8.762 -0.702 1
1 113 . 15 1 1 A 11 11 TRP HA H 11 4.550 5.573 -1.023 1
1 122 . 15 1 1 A 11 11 TRP C C 11 176.200 174.759 1.441 1
1 123 . 15 1 1 A 11 11 TRP CA C 11 57.800 55.797 2.003 1
1 124 . 15 1 1 A 11 11 TRP CB C 11 29.300 33.017 -3.717 1
1 130 . 15 1 1 A 11 11 TRP N N 11 121.200 123.288 -2.088 1
1 132 . 15 1 1 A 12 12 HIS H H 12 7.980 8.252 -0.272 1
1 133 . 15 1 1 A 12 12 HIS HA H 12 4.410 4.485 -0.075 1
1 137 . 15 1 1 A 12 12 HIS C C 12 174.400 174.163 0.237 1
1 138 . 15 1 1 A 12 12 HIS CA C 12 56.200 55.965 0.235 1
1 139 . 15 1 1 A 12 12 HIS CB C 12 29.600 33.079 -3.479 1
1 141 . 15 1 1 A 12 12 HIS N N 12 119.900 124.570 -4.670 1
1 142 . 15 1 1 A 13 13 ASP H H 13 8.130 8.744 -0.614 1
1 143 . 15 1 1 A 13 13 ASP HA H 13 4.470 4.040 0.430 1
1 146 . 15 1 1 A 13 13 ASP C C 13 176.100 176.236 -0.136 1
1 147 . 15 1 1 A 13 13 ASP CA C 13 54.700 57.950 -3.250 1
1 148 . 15 1 1 A 13 13 ASP CB C 13 41.100 40.884 0.216 1
1 149 . 15 1 1 A 13 13 ASP N N 13 120.600 124.668 -4.068 1
1 150 . 15 1 1 A 14 14 LYS H H 14 8.150 7.743 0.407 1
1 151 . 15 1 1 A 14 14 LYS HA H 14 4.270 4.562 -0.292 1
1 160 . 15 1 1 A 14 14 LYS C C 14 176.600 175.140 1.460 1
1 161 . 15 1 1 A 14 14 LYS CA C 14 56.500 55.174 1.326 1
1 162 . 15 1 1 A 14 14 LYS CB C 14 32.900 33.552 -0.652 1
1 166 . 15 1 1 A 14 14 LYS N N 14 120.900 115.365 5.535 1
1 167 . 15 1 1 A 15 15 LEU H H 15 8.220 8.452 -0.232 1
1 168 . 15 1 1 A 15 15 LEU HA H 15 4.360 4.267 0.093 1
1 178 . 15 1 1 A 15 15 LEU C C 15 177.600 175.798 1.802 1
1 179 . 15 1 1 A 15 15 LEU CA C 15 55.600 56.223 -0.623 1
1 180 . 15 1 1 A 15 15 LEU CB C 15 42.200 41.769 0.431 1
1 184 . 15 1 1 A 15 15 LEU N N 15 122.500 126.315 -3.815 1
1 185 . 15 1 1 A 16 16 THR H H 16 8.090 8.507 -0.417 1
1 186 . 15 1 1 A 16 16 THR HA H 16 4.340 4.469 -0.129 1
1 191 . 15 1 1 A 16 16 THR C C 16 174.700 174.413 0.287 1
1 192 . 15 1 1 A 16 16 THR CA C 16 61.700 62.562 -0.862 1
1 193 . 15 1 1 A 16 16 THR CB C 16 70.000 70.563 -0.563 1
1 195 . 15 1 1 A 16 16 THR N N 16 113.800 121.245 -7.445 1
1 196 . 15 1 1 A 17 17 GLU H H 17 8.400 7.568 0.832 1
1 197 . 15 1 1 A 17 17 GLU HA H 17 4.330 4.540 -0.210 1
1 202 . 15 1 1 A 17 17 GLU C C 17 176.500 176.118 0.382 1
1 203 . 15 1 1 A 17 17 GLU CA C 17 56.900 55.406 1.494 1
1 204 . 15 1 1 A 17 17 GLU CB C 17 30.200 29.178 1.022 1
1 206 . 15 1 1 A 17 17 GLU N N 17 122.700 120.515 2.185 1
1 207 . 15 1 1 A 18 18 THR H H 18 8.040 8.290 -0.250 1
1 208 . 15 1 1 A 18 18 THR HA H 18 4.350 4.317 0.033 1
1 213 . 15 1 1 A 18 18 THR C C 18 174.000 174.744 -0.744 1
1 214 . 15 1 1 A 18 18 THR CA C 18 61.700 64.728 -3.028 1
1 215 . 15 1 1 A 18 18 THR CB C 18 69.800 69.575 0.225 1
1 217 . 15 1 1 A 18 18 THR N N 18 113.600 120.120 -6.520 1
1 218 . 15 1 1 A 19 19 ASP H H 19 8.290 7.835 0.455 1
1 219 . 15 1 1 A 19 19 ASP HA H 19 4.640 4.818 -0.178 1
1 222 . 15 1 1 A 19 19 ASP C C 19 175.500 174.845 0.655 1
1 223 . 15 1 1 A 19 19 ASP CA C 19 54.500 53.308 1.192 1
1 224 . 15 1 1 A 19 19 ASP CB C 19 41.200 39.080 2.120 1
1 225 . 15 1 1 A 19 19 ASP N N 19 122.900 118.227 4.673 1
1 226 . 15 1 1 A 20 20 VAL H H 20 7.900 8.457 -0.557 1
1 227 . 15 1 1 A 20 20 VAL HA H 20 4.200 4.335 -0.135 1
1 235 . 15 1 1 A 20 20 VAL C C 20 175.400 174.884 0.516 1
1 236 . 15 1 1 A 20 20 VAL CA C 20 61.900 62.316 -0.416 1
1 237 . 15 1 1 A 20 20 VAL CB C 20 33.500 30.551 2.949 1
1 240 . 15 1 1 A 20 20 VAL N N 20 119.900 124.465 -4.565 1
1 241 . 15 1 1 A 21 21 GLN H H 21 8.490 7.898 0.592 1
1 242 . 15 1 1 A 21 21 GLN HA H 21 4.510 4.977 -0.467 1
1 249 . 15 1 1 A 21 21 GLN C C 21 173.800 174.727 -0.927 1
1 250 . 15 1 1 A 21 21 GLN CA C 21 54.700 54.239 0.461 1
1 251 . 15 1 1 A 21 21 GLN CB C 21 31.600 31.616 -0.016 1
1 253 . 15 1 1 A 21 21 GLN N N 21 124.800 124.515 0.285 1
1 255 . 15 1 1 A 22 22 ILE H H 22 8.070 8.761 -0.691 1
1 256 . 15 1 1 A 22 22 ILE HA H 22 4.820 4.580 0.240 1
1 266 . 15 1 1 A 22 22 ILE C C 22 175.500 175.840 -0.340 1
1 267 . 15 1 1 A 22 22 ILE CA C 22 58.700 59.916 -1.216 1
1 268 . 15 1 1 A 22 22 ILE CB C 22 39.800 39.388 0.412 1
1 272 . 15 1 1 A 22 22 ILE N N 22 120.500 123.901 -3.401 1
1 273 . 15 1 1 A 23 23 ASP H H 23 9.340 8.563 0.777 1
1 274 . 15 1 1 A 23 23 ASP HA H 23 4.570 4.925 -0.355 1
1 277 . 15 1 1 A 23 23 ASP C C 23 178.600 176.484 2.116 1
1 278 . 15 1 1 A 23 23 ASP CA C 23 51.700 52.764 -1.064 1
1 279 . 15 1 1 A 23 23 ASP CB C 23 42.900 41.475 1.425 1
1 280 . 15 1 1 A 23 23 ASP N N 23 128.000 124.183 3.817 1
1 281 . 15 1 1 A 24 24 PHE H H 24 8.860 8.819 0.041 1
1 282 . 15 1 1 A 24 24 PHE HA H 24 3.960 4.165 -0.205 1
1 290 . 15 1 1 A 24 24 PHE C C 24 175.800 177.318 -1.518 1
1 291 . 15 1 1 A 24 24 PHE CA C 24 61.600 60.910 0.690 1
1 292 . 15 1 1 A 24 24 PHE CB C 24 41.800 39.060 2.740 1
1 298 . 15 1 1 A 24 24 PHE N N 24 118.500 119.416 -0.916 1
1 299 . 15 1 1 A 25 25 TYR H H 25 8.340 8.122 0.218 1
1 300 . 15 1 1 A 25 25 TYR HA H 25 4.400 4.530 -0.130 1
1 307 . 15 1 1 A 25 25 TYR C C 25 175.700 176.049 -0.349 1
1 308 . 15 1 1 A 25 25 TYR CA C 25 59.200 58.929 0.271 1
1 309 . 15 1 1 A 25 25 TYR CB C 25 38.700 38.906 -0.206 1
1 314 . 15 1 1 A 25 25 TYR N N 25 114.500 115.174 -0.674 1
1 315 . 15 1 1 A 26 26 GLY H H 26 8.460 8.006 0.454 1
1 316 . 15 1 1 A 26 26 GLY HA2 H 26 4.230 4.028 0.202 1
1 317 . 15 1 1 A 26 26 GLY HA3 H 26 3.500 4.037 -0.537 1
1 318 . 15 1 1 A 26 26 GLY C C 26 174.700 174.271 0.429 1
1 319 . 15 1 1 A 26 26 GLY CA C 26 45.200 45.606 -0.406 1
1 320 . 15 1 1 A 26 26 GLY N N 26 109.700 107.510 2.190 1
1 321 . 15 1 1 A 27 27 ASP H H 27 8.400 8.537 -0.137 1
1 322 . 15 1 1 A 27 27 ASP HA H 27 4.330 4.827 -0.497 1
1 325 . 15 1 1 A 27 27 ASP C C 27 175.700 175.723 -0.023 1
1 326 . 15 1 1 A 27 27 ASP CA C 27 56.700 54.208 2.492 1
1 327 . 15 1 1 A 27 27 ASP CB C 27 30.300 41.020 -10.720 1
1 328 . 15 1 1 A 27 27 ASP N N 27 122.700 119.199 3.501 1
1 329 . 15 1 1 A 28 28 GLU H H 28 7.960 7.785 0.175 1
1 330 . 15 1 1 A 28 28 GLU HA H 28 4.280 4.578 -0.298 1
1 335 . 15 1 1 A 28 28 GLU C C 28 175.200 174.048 1.152 1
1 336 . 15 1 1 A 28 28 GLU CA C 28 57.400 56.214 1.186 1
1 337 . 15 1 1 A 28 28 GLU CB C 28 30.500 33.408 -2.908 1
1 339 . 15 1 1 A 28 28 GLU N N 28 126.100 116.404 9.696 1
1 340 . 15 1 1 A 29 29 VAL H H 29 8.550 8.525 0.025 1
1 341 . 15 1 1 A 29 29 VAL HA H 29 4.180 4.750 -0.570 1
1 349 . 15 1 1 A 29 29 VAL C C 29 176.000 175.817 0.183 1
1 350 . 15 1 1 A 29 29 VAL CA C 29 61.500 61.221 0.279 1
1 351 . 15 1 1 A 29 29 VAL CB C 29 32.300 32.999 -0.699 1
1 354 . 15 1 1 A 29 29 VAL N N 29 123.500 127.238 -3.738 1
1 355 . 15 1 1 A 30 30 THR H H 30 9.720 9.045 0.675 1
1 356 . 15 1 1 A 30 30 THR HA H 30 5.010 4.948 0.062 1
1 361 . 15 1 1 A 30 30 THR CA C 30 60.800 58.981 1.819 1
1 362 . 15 1 1 A 30 30 THR CB C 30 68.700 69.834 -1.134 1
1 364 . 15 1 1 A 30 30 THR N N 30 122.300 118.923 3.377 1
1 365 . 15 1 1 A 31 31 PRO HA H 31 4.510 4.488 0.022 1
1 372 . 15 1 1 A 31 31 PRO C C 31 176.400 177.247 -0.847 1
1 373 . 15 1 1 A 31 31 PRO CA C 31 65.200 64.468 0.732 1
1 374 . 15 1 1 A 31 31 PRO CB C 31 32.600 31.577 1.023 1
1 377 . 15 1 1 A 32 32 VAL H H 32 6.830 8.306 -1.476 1
1 378 . 15 1 1 A 32 32 VAL HA H 32 4.450 4.559 -0.109 1
1 386 . 15 1 1 A 32 32 VAL C C 32 175.700 174.091 1.609 1
1 387 . 15 1 1 A 32 32 VAL CA C 32 60.600 60.448 0.152 1
1 388 . 15 1 1 A 32 32 VAL CB C 32 31.200 31.766 -0.566 1
1 391 . 15 1 1 A 32 32 VAL N N 32 105.600 114.252 -8.652 1
1 392 . 15 1 1 A 33 33 ASP H H 33 7.800 8.175 -0.375 1
1 393 . 15 1 1 A 33 33 ASP HA H 33 4.910 5.099 -0.189 1
1 396 . 15 1 1 A 33 33 ASP C C 33 174.900 175.204 -0.304 1
1 397 . 15 1 1 A 33 33 ASP CA C 33 55.100 52.830 2.270 1
1 398 . 15 1 1 A 33 33 ASP CB C 33 43.900 44.061 -0.161 1
1 399 . 15 1 1 A 33 33 ASP N N 33 122.100 121.978 0.122 1
1 400 . 15 1 1 A 34 34 ASP H H 34 8.810 8.673 0.137 1
1 401 . 15 1 1 A 34 34 ASP HA H 34 5.060 5.026 0.034 1
1 404 . 15 1 1 A 34 34 ASP C C 34 176.500 175.561 0.939 1
1 405 . 15 1 1 A 34 34 ASP CA C 34 53.700 54.194 -0.494 1
1 406 . 15 1 1 A 34 34 ASP CB C 34 41.600 41.472 0.128 1
1 407 . 15 1 1 A 34 34 ASP N N 34 121.800 123.077 -1.277 1
1 408 . 15 1 1 A 35 35 TYR H H 35 8.570 8.828 -0.258 1
1 409 . 15 1 1 A 35 35 TYR HA H 35 5.220 5.482 -0.262 1
1 416 . 15 1 1 A 35 35 TYR C C 35 171.800 173.334 -1.534 1
1 417 . 15 1 1 A 35 35 TYR CA C 35 56.300 55.709 0.591 1
1 418 . 15 1 1 A 35 35 TYR CB C 35 40.700 41.424 -0.724 1
1 423 . 15 1 1 A 35 35 TYR N N 35 117.900 120.529 -2.629 1
1 424 . 15 1 1 A 36 36 VAL H H 36 9.340 9.021 0.319 1
1 425 . 15 1 1 A 36 36 VAL HA H 36 4.660 4.719 -0.059 1
1 433 . 15 1 1 A 36 36 VAL C C 36 173.300 174.680 -1.380 1
1 434 . 15 1 1 A 36 36 VAL CA C 36 59.300 60.482 -1.182 1
1 435 . 15 1 1 A 36 36 VAL CB C 36 35.100 36.095 -0.995 1
1 438 . 15 1 1 A 36 36 VAL N N 36 120.700 119.388 1.312 1
1 439 . 15 1 1 A 37 37 ILE H H 37 8.820 8.838 -0.018 1
1 440 . 15 1 1 A 37 37 ILE HA H 37 4.820 5.099 -0.279 1
1 450 . 15 1 1 A 37 37 ILE C C 37 175.500 173.868 1.632 1
1 451 . 15 1 1 A 37 37 ILE CA C 37 59.700 59.898 -0.198 1
1 452 . 15 1 1 A 37 37 ILE CB C 37 40.600 38.967 1.633 1
1 456 . 15 1 1 A 37 37 ILE N N 37 124.100 127.364 -3.264 1
1 457 . 15 1 1 A 38 38 ASP H H 38 8.280 9.036 -0.756 1
1 458 . 15 1 1 A 38 38 ASP HA H 38 4.430 5.089 -0.659 1
1 461 . 15 1 1 A 38 38 ASP C C 38 177.000 176.402 0.598 1
1 462 . 15 1 1 A 38 38 ASP CA C 38 51.400 52.997 -1.597 1
1 463 . 15 1 1 A 38 38 ASP CB C 38 41.200 41.758 -0.558 1
1 464 . 15 1 1 A 38 38 ASP N N 38 126.600 127.762 -1.162 1
1 465 . 15 1 1 A 39 39 GLY H H 39 8.910 8.308 0.602 1
1 466 . 15 1 1 A 39 39 GLY HA2 H 39 3.640 3.995 -0.355 1
1 467 . 15 1 1 A 39 39 GLY HA3 H 39 3.850 4.040 -0.190 1
1 468 . 15 1 1 A 39 39 GLY C C 39 174.500 174.860 -0.360 1
1 469 . 15 1 1 A 39 39 GLY CA C 39 47.600 45.371 2.229 1
1 470 . 15 1 1 A 39 39 GLY N N 39 114.900 113.820 1.080 1
1 471 . 15 1 1 A 40 40 GLY H H 40 8.220 8.608 -0.388 1
1 472 . 15 1 1 A 40 40 GLY HA2 H 40 3.900 4.109 -0.209 1
1 473 . 15 1 1 A 40 40 GLY HA3 H 40 3.900 4.114 -0.214 1
1 474 . 15 1 1 A 40 40 GLY C C 40 173.900 174.727 -0.827 1
1 475 . 15 1 1 A 40 40 GLY CA C 40 45.000 45.328 -0.328 1
1 476 . 15 1 1 A 40 40 GLY N N 40 112.200 107.676 4.524 1
1 477 . 15 1 1 A 41 41 GLU H H 41 7.770 7.585 0.185 1
1 478 . 15 1 1 A 41 41 GLU HA H 41 4.750 4.496 0.254 1
1 483 . 15 1 1 A 41 41 GLU C C 41 174.800 176.071 -1.271 1
1 484 . 15 1 1 A 41 41 GLU CA C 41 54.300 56.224 -1.924 1
1 485 . 15 1 1 A 41 41 GLU CB C 41 30.300 30.466 -0.166 1
1 487 . 15 1 1 A 41 41 GLU N N 41 120.200 120.624 -0.424 1
1 488 . 15 1 1 A 42 42 ILE H H 42 8.720 8.561 0.159 1
1 489 . 15 1 1 A 42 42 ILE HA H 42 4.780 4.695 0.085 1
1 499 . 15 1 1 A 42 42 ILE C C 42 174.800 175.011 -0.211 1
1 500 . 15 1 1 A 42 42 ILE CA C 42 59.200 60.762 -1.562 1
1 501 . 15 1 1 A 42 42 ILE CB C 42 40.300 38.205 2.095 1
1 505 . 15 1 1 A 42 42 ILE N N 42 122.000 124.265 -2.265 1
1 506 . 15 1 1 A 43 43 ILE H H 43 9.230 9.054 0.176 1
1 507 . 15 1 1 A 43 43 ILE HA H 43 4.480 4.752 -0.272 1
1 517 . 15 1 1 A 43 43 ILE C C 43 176.400 174.516 1.884 1
1 518 . 15 1 1 A 43 43 ILE CA C 43 61.000 59.634 1.366 1
1 519 . 15 1 1 A 43 43 ILE CB C 43 42.300 42.478 -0.178 1
1 523 . 15 1 1 A 43 43 ILE N N 43 126.400 128.005 -1.605 1
1 524 . 15 1 1 A 44 44 LEU H H 44 10.930 8.736 2.194 1
1 525 . 15 1 1 A 44 44 LEU HA H 44 4.280 4.400 -0.120 1
1 535 . 15 1 1 A 44 44 LEU C C 44 179.300 178.246 1.054 1
1 536 . 15 1 1 A 44 44 LEU CA C 44 56.500 55.629 0.871 1
1 537 . 15 1 1 A 44 44 LEU CB C 44 42.600 43.722 -1.122 1
1 541 . 15 1 1 A 44 44 LEU N N 44 130.900 128.699 2.201 1
1 542 . 15 1 1 A 45 45 ARG H H 45 8.610 8.654 -0.044 1
1 543 . 15 1 1 A 45 45 ARG HA H 45 3.890 3.973 -0.083 1
1 551 . 15 1 1 A 45 45 ARG C C 45 179.300 178.492 0.808 1
1 552 . 15 1 1 A 45 45 ARG CA C 45 60.200 59.302 0.898 1
1 553 . 15 1 1 A 45 45 ARG CB C 45 29.400 29.943 -0.543 1
1 556 . 15 1 1 A 45 45 ARG N N 45 125.400 126.381 -0.981 1
1 558 . 15 1 1 A 46 46 GLU H H 46 9.020 7.792 1.228 1
1 559 . 15 1 1 A 46 46 GLU HA H 46 4.210 4.111 0.099 1
1 564 . 15 1 1 A 46 46 GLU C C 46 176.700 178.235 -1.535 1
1 565 . 15 1 1 A 46 46 GLU CA C 46 59.000 58.923 0.077 1
1 566 . 15 1 1 A 46 46 GLU CB C 46 29.600 29.486 0.114 1
1 568 . 15 1 1 A 46 46 GLU N N 46 117.500 119.434 -1.934 1
1 569 . 15 1 1 A 47 47 ASN H H 47 7.870 8.006 -0.136 1
1 570 . 15 1 1 A 47 47 ASN HA H 47 5.100 4.597 0.503 1
1 573 . 15 1 1 A 47 47 ASN C C 47 175.200 176.884 -1.684 1
1 574 . 15 1 1 A 47 47 ASN CA C 47 52.800 54.057 -1.257 1
1 575 . 15 1 1 A 47 47 ASN CB C 47 40.500 38.890 1.610 1
1 576 . 15 1 1 A 47 47 ASN N N 47 115.900 116.179 -0.279 1
1 577 . 15 1 1 A 48 48 LEU H H 48 7.760 7.353 0.407 1
1 578 . 15 1 1 A 48 48 LEU HA H 48 4.060 4.124 -0.064 1
1 588 . 15 1 1 A 48 48 LEU C C 48 177.200 178.258 -1.058 1
1 589 . 15 1 1 A 48 48 LEU CA C 48 59.000 58.031 0.969 1
1 590 . 15 1 1 A 48 48 LEU CB C 48 42.800 41.480 1.320 1
1 594 . 15 1 1 A 48 48 LEU N N 48 122.300 121.833 0.467 1
1 595 . 15 1 1 A 49 49 GLU H H 49 8.770 8.361 0.409 1
1 596 . 15 1 1 A 49 49 GLU HA H 49 3.670 3.896 -0.226 1
1 601 . 15 1 1 A 49 49 GLU C C 49 176.200 179.001 -2.801 1
1 602 . 15 1 1 A 49 49 GLU CA C 49 61.300 60.081 1.219 1
1 603 . 15 1 1 A 49 49 GLU CB C 49 28.200 29.753 -1.553 1
1 605 . 15 1 1 A 49 49 GLU N N 49 118.800 119.959 -1.159 1
1 606 . 15 1 1 A 50 50 ARG H H 50 8.000 8.208 -0.208 1
1 607 . 15 1 1 A 50 50 ARG HA H 50 3.860 4.052 -0.192 1
1 615 . 15 1 1 A 50 50 ARG C C 50 174.100 178.714 -4.614 1
1 616 . 15 1 1 A 50 50 ARG CA C 50 60.100 58.881 1.219 1
1 617 . 15 1 1 A 50 50 ARG CB C 50 29.900 29.668 0.232 1
1 620 . 15 1 1 A 50 50 ARG N N 50 119.100 119.813 -0.713 1
1 622 . 15 1 1 A 51 51 TYR H H 51 8.250 8.051 0.199 1
1 623 . 15 1 1 A 51 51 TYR HA H 51 4.610 4.244 0.366 1
1 630 . 15 1 1 A 51 51 TYR C C 51 178.500 177.218 1.282 1
1 631 . 15 1 1 A 51 51 TYR CA C 51 61.700 61.234 0.466 1
1 632 . 15 1 1 A 51 51 TYR CB C 51 40.000 38.723 1.277 1
1 637 . 15 1 1 A 51 51 TYR N N 51 120.400 120.924 -0.524 1
1 638 . 15 1 1 A 52 52 LEU H H 52 9.030 8.791 0.239 1
1 639 . 15 1 1 A 52 52 LEU HA H 52 3.690 4.023 -0.333 1
1 649 . 15 1 1 A 52 52 LEU C C 52 180.000 179.145 0.855 1
1 650 . 15 1 1 A 52 52 LEU CA C 52 57.600 57.412 0.188 1
1 651 . 15 1 1 A 52 52 LEU CB C 52 40.800 41.365 -0.565 1
1 655 . 15 1 1 A 52 52 LEU N N 52 118.300 119.848 -1.548 1
1 656 . 15 1 1 A 53 53 ARG H H 53 8.530 7.815 0.715 1
1 657 . 15 1 1 A 53 53 ARG HA H 53 4.820 3.935 0.885 1
1 665 . 15 1 1 A 53 53 ARG C C 53 179.100 178.399 0.701 1
1 666 . 15 1 1 A 53 53 ARG CA C 53 59.300 59.299 0.001 1
1 667 . 15 1 1 A 53 53 ARG CB C 53 31.900 29.674 2.226 1
1 670 . 15 1 1 A 53 53 ARG N N 53 119.400 120.876 -1.476 1
1 672 . 15 1 1 A 54 54 GLU H H 54 9.090 7.865 1.225 1
1 673 . 15 1 1 A 54 54 GLU HA H 54 4.100 4.212 -0.112 1
1 678 . 15 1 1 A 54 54 GLU C C 54 178.700 178.399 0.301 1
1 679 . 15 1 1 A 54 54 GLU CA C 54 59.300 58.399 0.901 1
1 680 . 15 1 1 A 54 54 GLU CB C 54 31.000 30.511 0.489 1
1 682 . 15 1 1 A 54 54 GLU N N 54 116.700 118.430 -1.730 1
1 683 . 15 1 1 A 55 55 GLN H H 55 8.760 7.927 0.833 1
1 684 . 15 1 1 A 55 55 GLN HA H 55 4.290 4.029 0.261 1
1 691 . 15 1 1 A 55 55 GLN C C 55 177.700 175.628 2.072 1
1 692 . 15 1 1 A 55 55 GLN CA C 55 55.800 58.014 -2.214 1
1 693 . 15 1 1 A 55 55 GLN CB C 55 28.000 29.074 -1.074 1
1 695 . 15 1 1 A 55 55 GLN N N 55 113.900 120.297 -6.397 1
1 697 . 15 1 1 A 56 56 LEU H H 56 6.650 8.046 -1.396 1
1 698 . 15 1 1 A 56 56 LEU HA H 56 4.700 3.873 0.827 1
1 708 . 15 1 1 A 56 56 LEU C C 56 178.000 177.288 0.712 1
1 709 . 15 1 1 A 56 56 LEU CA C 56 55.300 55.994 -0.694 1
1 710 . 15 1 1 A 56 56 LEU CB C 56 43.800 41.023 2.777 1
1 714 . 15 1 1 A 56 56 LEU N N 56 116.200 119.651 -3.451 1
1 715 . 15 1 1 A 57 57 GLY H H 57 7.160 8.059 -0.899 1
1 716 . 15 1 1 A 57 57 GLY HA2 H 57 4.070 3.480 0.590 1
1 717 . 15 1 1 A 57 57 GLY HA3 H 57 4.070 3.848 0.222 1
1 718 . 15 1 1 A 57 57 GLY C C 57 175.000 174.225 0.775 1
1 719 . 15 1 1 A 57 57 GLY CA C 57 46.900 44.839 2.061 1
1 720 . 15 1 1 A 57 57 GLY N N 57 109.000 105.614 3.386 1
1 721 . 15 1 1 A 58 58 PHE H H 58 8.480 7.936 0.544 1
1 722 . 15 1 1 A 58 58 PHE HA H 58 4.690 4.939 -0.249 1
1 730 . 15 1 1 A 58 58 PHE C C 58 175.700 174.886 0.814 1
1 731 . 15 1 1 A 58 58 PHE CA C 58 57.900 60.250 -2.350 1
1 732 . 15 1 1 A 58 58 PHE CB C 58 39.500 37.685 1.815 1
1 738 . 15 1 1 A 58 58 PHE N N 58 123.100 115.763 7.337 1
1 739 . 15 1 1 A 59 59 GLU H H 59 8.440 8.779 -0.339 1
1 740 . 15 1 1 A 59 59 GLU HA H 59 4.820 4.631 0.189 1
1 745 . 15 1 1 A 59 59 GLU C C 59 174.700 175.310 -0.610 1
1 746 . 15 1 1 A 59 59 GLU CA C 59 54.600 55.135 -0.535 1
1 747 . 15 1 1 A 59 59 GLU CB C 59 32.800 30.433 2.367 1
1 749 . 15 1 1 A 59 59 GLU N N 59 118.600 123.258 -4.658 1
1 750 . 15 1 1 A 60 60 PHE H H 60 9.110 9.064 0.046 1
1 751 . 15 1 1 A 60 60 PHE HA H 60 4.470 5.039 -0.569 1
1 759 . 15 1 1 A 60 60 PHE C C 60 175.100 173.982 1.118 1
1 760 . 15 1 1 A 60 60 PHE CA C 60 58.100 56.574 1.526 1
1 761 . 15 1 1 A 60 60 PHE CB C 60 39.900 39.606 0.294 1
1 767 . 15 1 1 A 60 60 PHE N N 60 124.300 129.015 -4.715 1
1 768 . 15 1 1 A 61 61 LYS H H 61 8.510 8.739 -0.229 1
1 769 . 15 1 1 A 61 61 LYS HA H 61 4.360 4.719 -0.359 1
1 778 . 15 1 1 A 61 61 LYS C C 61 174.700 175.719 -1.019 1
1 779 . 15 1 1 A 61 61 LYS CA C 61 53.800 55.408 -1.608 1
1 780 . 15 1 1 A 61 61 LYS CB C 61 31.300 33.741 -2.441 1
1 784 . 15 1 1 A 61 61 LYS N N 61 124.900 126.302 -1.402 1
1 785 . 15 1 1 A 62 62 ASN H H 62 8.400 8.660 -0.260 1
1 786 . 15 1 1 A 62 62 ASN HA H 62 4.910 5.241 -0.331 1
1 789 . 15 1 1 A 62 62 ASN C C 62 175.500 175.863 -0.363 1
1 790 . 15 1 1 A 62 62 ASN CA C 62 52.400 51.917 0.483 1
1 791 . 15 1 1 A 62 62 ASN CB C 62 39.400 40.893 -1.493 1
1 792 . 15 1 1 A 62 62 ASN N N 62 121.800 121.074 0.726 1
1 793 . 15 1 1 A 63 63 ALA H H 63 8.960 8.580 0.380 1
1 794 . 15 1 1 A 63 63 ALA HA H 63 4.170 4.076 0.094 1
1 798 . 15 1 1 A 63 63 ALA C C 63 178.200 177.342 0.858 1
1 799 . 15 1 1 A 63 63 ALA CA C 63 53.300 52.777 0.523 1
1 800 . 15 1 1 A 63 63 ALA CB C 63 19.300 19.510 -0.210 1
1 801 . 15 1 1 A 63 63 ALA N N 63 126.200 124.899 1.301 1
1 802 . 15 1 1 A 64 64 GLN H H 64 8.570 7.844 0.726 1
1 803 . 15 1 1 A 64 64 GLN HA H 64 4.280 4.040 0.240 1
1 810 . 15 1 1 A 64 64 GLN C C 64 176.200 175.127 1.073 1
1 811 . 15 1 1 A 64 64 GLN CA C 64 56.300 57.008 -0.708 1
1 812 . 15 1 1 A 64 64 GLN CB C 64 29.400 26.003 3.397 1
1 814 . 15 1 1 A 64 64 GLN N N 64 119.900 114.049 5.851 1
1 816 . 15 1 1 A 65 65 LEU H H 65 8.080 7.740 0.340 1
1 817 . 15 1 1 A 65 65 LEU HA H 65 4.320 4.638 -0.318 1
1 827 . 15 1 1 A 65 65 LEU C C 65 177.200 176.824 0.376 1
1 828 . 15 1 1 A 65 65 LEU CA C 65 55.300 53.935 1.365 1
1 829 . 15 1 1 A 65 65 LEU CB C 65 42.700 42.601 0.099 1
1 833 . 15 1 1 A 65 65 LEU N N 65 121.700 120.145 1.555 1
1 834 . 15 1 1 A 66 66 GLU H H 66 8.290 7.696 0.594 1
1 835 . 15 1 1 A 66 66 GLU HA H 66 4.190 4.494 -0.304 1
1 840 . 15 1 1 A 66 66 GLU C C 66 176.300 175.737 0.563 1
1 841 . 15 1 1 A 66 66 GLU CA C 66 56.800 56.516 0.284 1
1 842 . 15 1 1 A 66 66 GLU CB C 66 30.400 29.388 1.012 1
1 844 . 15 1 1 A 66 66 GLU N N 66 120.400 120.811 -0.411 1
1 845 . 15 1 1 A 67 67 HIS H H 67 8.280 8.417 -0.137 1
1 846 . 15 1 1 A 67 67 HIS HA H 67 4.620 4.735 -0.115 1
1 850 . 15 1 1 A 67 67 HIS C C 67 173.900 173.782 0.118 1
1 851 . 15 1 1 A 67 67 HIS CA C 67 55.900 54.380 1.520 1
1 852 . 15 1 1 A 67 67 HIS CB C 67 30.100 29.404 0.696 1
1 854 . 15 1 1 A 67 67 HIS N N 67 119.300 123.867 -4.567 1
1 855 . 15 1 1 A 68 68 HIS H H 68 8.180 8.668 -0.488 1
1 856 . 15 1 1 A 68 68 HIS HA H 68 4.440 5.140 -0.700 1
1 859 . 15 1 1 A 68 68 HIS CA C 68 57.300 54.363 2.937 1
1 860 . 15 1 1 A 68 68 HIS CB C 68 30.200 30.806 -0.606 1
1 861 . 15 1 1 A 68 68 HIS N N 68 125.300 122.353 2.947 1
1 2 . 16 1 1 A 2 2 VAL H H 2 8.100 8.595 -0.495 1
1 3 . 16 1 1 A 2 2 VAL HA H 2 4.090 4.249 -0.159 1
1 5 . 16 1 1 A 2 2 VAL C C 2 176.500 174.492 2.008 1
1 6 . 16 1 1 A 2 2 VAL CA C 2 62.300 62.387 -0.087 1
1 7 . 16 1 1 A 2 2 VAL CB C 2 32.700 29.688 3.012 1
1 8 . 16 1 1 A 2 2 VAL N N 2 124.800 120.543 4.257 1
1 9 . 16 1 1 A 3 3 GLU H H 3 8.500 8.332 0.168 1
1 10 . 16 1 1 A 3 3 GLU HA H 3 4.280 5.124 -0.844 1
1 15 . 16 1 1 A 3 3 GLU C C 3 175.900 174.613 1.287 1
1 16 . 16 1 1 A 3 3 GLU CA C 3 56.500 55.014 1.486 1
1 17 . 16 1 1 A 3 3 GLU CB C 3 30.400 33.416 -3.016 1
1 19 . 16 1 1 A 3 3 GLU N N 3 124.200 121.290 2.910 1
1 20 . 16 1 1 A 4 4 ASN H H 4 8.500 8.577 -0.077 1
1 21 . 16 1 1 A 4 4 ASN HA H 4 4.970 5.195 -0.225 1
1 26 . 16 1 1 A 4 4 ASN CA C 4 51.200 50.941 0.259 1
1 27 . 16 1 1 A 4 4 ASN CB C 4 39.000 41.271 -2.271 1
1 28 . 16 1 1 A 4 4 ASN N N 4 120.700 118.621 2.079 1
1 30 . 16 1 1 A 5 5 PRO HA H 5 4.390 4.633 -0.243 1
1 37 . 16 1 1 A 5 5 PRO C C 5 176.800 175.671 1.129 1
1 38 . 16 1 1 A 5 5 PRO CA C 5 63.500 62.326 1.174 1
1 39 . 16 1 1 A 5 5 PRO CB C 5 32.200 33.331 -1.131 1
1 42 . 16 1 1 A 6 6 MET H H 6 8.300 8.427 -0.127 1
1 43 . 16 1 1 A 6 6 MET HA H 6 4.400 4.920 -0.520 1
1 51 . 16 1 1 A 6 6 MET C C 6 176.200 173.869 2.331 1
1 52 . 16 1 1 A 6 6 MET CA C 6 55.800 53.665 2.135 1
1 53 . 16 1 1 A 6 6 MET CB C 6 32.600 34.124 -1.524 1
1 56 . 16 1 1 A 6 6 MET N N 6 119.400 116.591 2.809 1
1 57 . 16 1 1 A 7 7 VAL H H 7 7.980 8.304 -0.324 1
1 58 . 16 1 1 A 7 7 VAL HA H 7 4.080 4.167 -0.087 1
1 66 . 16 1 1 A 7 7 VAL C C 7 175.800 174.413 1.387 1
1 67 . 16 1 1 A 7 7 VAL CA C 7 62.400 62.406 -0.006 1
1 68 . 16 1 1 A 7 7 VAL CB C 7 32.800 32.057 0.743 1
1 71 . 16 1 1 A 7 7 VAL N N 7 121.500 119.552 1.948 1
1 72 . 16 1 1 A 8 8 ILE H H 8 8.140 8.773 -0.633 1
1 73 . 16 1 1 A 8 8 ILE HA H 8 4.120 4.269 -0.149 1
1 83 . 16 1 1 A 8 8 ILE C C 8 175.800 175.015 0.785 1
1 84 . 16 1 1 A 8 8 ILE CA C 8 60.900 61.020 -0.120 1
1 85 . 16 1 1 A 8 8 ILE CB C 8 38.600 38.187 0.413 1
1 89 . 16 1 1 A 8 8 ILE N N 8 124.500 130.699 -6.199 1
1 90 . 16 1 1 A 9 9 ASN H H 9 8.450 8.736 -0.286 1
1 91 . 16 1 1 A 9 9 ASN HA H 9 4.630 5.063 -0.433 1
1 96 . 16 1 1 A 9 9 ASN C C 9 174.700 175.395 -0.695 1
1 97 . 16 1 1 A 9 9 ASN CA C 9 53.200 53.001 0.199 1
1 98 . 16 1 1 A 9 9 ASN CB C 9 39.000 39.229 -0.229 1
1 99 . 16 1 1 A 9 9 ASN N N 9 122.700 127.573 -4.873 1
1 101 . 16 1 1 A 10 10 ASN H H 10 8.320 8.845 -0.525 1
1 102 . 16 1 1 A 10 10 ASN HA H 10 4.680 4.827 -0.147 1
1 107 . 16 1 1 A 10 10 ASN C C 10 175.000 175.596 -0.596 1
1 108 . 16 1 1 A 10 10 ASN CA C 10 53.100 52.505 0.595 1
1 109 . 16 1 1 A 10 10 ASN CB C 10 38.700 39.037 -0.337 1
1 110 . 16 1 1 A 10 10 ASN N N 10 119.600 123.407 -3.807 1
1 112 . 16 1 1 A 11 11 TRP H H 11 8.060 8.299 -0.239 1
1 113 . 16 1 1 A 11 11 TRP HA H 11 4.550 4.185 0.365 1
1 122 . 16 1 1 A 11 11 TRP C C 11 176.200 175.186 1.014 1
1 123 . 16 1 1 A 11 11 TRP CA C 11 57.800 57.937 -0.137 1
1 124 . 16 1 1 A 11 11 TRP CB C 11 29.300 26.644 2.656 1
1 130 . 16 1 1 A 11 11 TRP N N 11 121.200 117.245 3.955 1
1 132 . 16 1 1 A 12 12 HIS H H 12 7.980 7.878 0.102 1
1 133 . 16 1 1 A 12 12 HIS HA H 12 4.410 4.929 -0.519 1
1 137 . 16 1 1 A 12 12 HIS C C 12 174.400 174.564 -0.164 1
1 138 . 16 1 1 A 12 12 HIS CA C 12 56.200 54.463 1.737 1
1 139 . 16 1 1 A 12 12 HIS CB C 12 29.600 32.425 -2.825 1
1 141 . 16 1 1 A 12 12 HIS N N 12 119.900 116.670 3.230 1
1 142 . 16 1 1 A 13 13 ASP H H 13 8.130 8.852 -0.722 1
1 143 . 16 1 1 A 13 13 ASP HA H 13 4.470 4.464 0.006 1
1 146 . 16 1 1 A 13 13 ASP C C 13 176.100 175.689 0.411 1
1 147 . 16 1 1 A 13 13 ASP CA C 13 54.700 55.785 -1.085 1
1 148 . 16 1 1 A 13 13 ASP CB C 13 41.100 40.944 0.156 1
1 149 . 16 1 1 A 13 13 ASP N N 13 120.600 123.971 -3.371 1
1 150 . 16 1 1 A 14 14 LYS H H 14 8.150 7.736 0.414 1
1 151 . 16 1 1 A 14 14 LYS HA H 14 4.270 4.803 -0.533 1
1 160 . 16 1 1 A 14 14 LYS C C 14 176.600 176.055 0.545 1
1 161 . 16 1 1 A 14 14 LYS CA C 14 56.500 54.671 1.829 1
1 162 . 16 1 1 A 14 14 LYS CB C 14 32.900 36.985 -4.085 1
1 166 . 16 1 1 A 14 14 LYS N N 14 120.900 117.859 3.041 1
1 167 . 16 1 1 A 15 15 LEU H H 15 8.220 8.665 -0.445 1
1 168 . 16 1 1 A 15 15 LEU HA H 15 4.360 4.609 -0.249 1
1 178 . 16 1 1 A 15 15 LEU C C 15 177.600 176.303 1.297 1
1 179 . 16 1 1 A 15 15 LEU CA C 15 55.600 54.100 1.500 1
1 180 . 16 1 1 A 15 15 LEU CB C 15 42.200 40.151 2.049 1
1 184 . 16 1 1 A 15 15 LEU N N 15 122.500 124.284 -1.784 1
1 185 . 16 1 1 A 16 16 THR H H 16 8.090 8.580 -0.490 1
1 186 . 16 1 1 A 16 16 THR HA H 16 4.340 4.327 0.013 1
1 191 . 16 1 1 A 16 16 THR C C 16 174.700 174.499 0.201 1
1 192 . 16 1 1 A 16 16 THR CA C 16 61.700 62.427 -0.727 1
1 193 . 16 1 1 A 16 16 THR CB C 16 70.000 68.837 1.163 1
1 195 . 16 1 1 A 16 16 THR N N 16 113.800 118.321 -4.521 1
1 196 . 16 1 1 A 17 17 GLU H H 17 8.400 9.003 -0.603 1
1 197 . 16 1 1 A 17 17 GLU HA H 17 4.330 4.307 0.023 1
1 202 . 16 1 1 A 17 17 GLU C C 17 176.500 176.489 0.011 1
1 203 . 16 1 1 A 17 17 GLU CA C 17 56.900 57.565 -0.665 1
1 204 . 16 1 1 A 17 17 GLU CB C 17 30.200 31.304 -1.104 1
1 206 . 16 1 1 A 17 17 GLU N N 17 122.700 122.409 0.291 1
1 207 . 16 1 1 A 18 18 THR H H 18 8.040 8.234 -0.194 1
1 208 . 16 1 1 A 18 18 THR HA H 18 4.350 3.859 0.491 1
1 213 . 16 1 1 A 18 18 THR C C 18 174.000 173.374 0.626 1
1 214 . 16 1 1 A 18 18 THR CA C 18 61.700 66.363 -4.663 1
1 215 . 16 1 1 A 18 18 THR CB C 18 69.800 67.049 2.751 1
1 217 . 16 1 1 A 18 18 THR N N 18 113.600 113.477 0.123 1
1 218 . 16 1 1 A 19 19 ASP H H 19 8.290 8.357 -0.067 1
1 219 . 16 1 1 A 19 19 ASP HA H 19 4.640 4.747 -0.107 1
1 222 . 16 1 1 A 19 19 ASP C C 19 175.500 174.650 0.850 1
1 223 . 16 1 1 A 19 19 ASP CA C 19 54.500 53.652 0.848 1
1 224 . 16 1 1 A 19 19 ASP CB C 19 41.200 40.008 1.192 1
1 225 . 16 1 1 A 19 19 ASP N N 19 122.900 121.787 1.113 1
1 226 . 16 1 1 A 20 20 VAL H H 20 7.900 8.057 -0.157 1
1 227 . 16 1 1 A 20 20 VAL HA H 20 4.200 4.719 -0.519 1
1 235 . 16 1 1 A 20 20 VAL C C 20 175.400 174.500 0.900 1
1 236 . 16 1 1 A 20 20 VAL CA C 20 61.900 60.696 1.204 1
1 237 . 16 1 1 A 20 20 VAL CB C 20 33.500 35.435 -1.935 1
1 240 . 16 1 1 A 20 20 VAL N N 20 119.900 124.580 -4.680 1
1 241 . 16 1 1 A 21 21 GLN H H 21 8.490 8.339 0.151 1
1 242 . 16 1 1 A 21 21 GLN HA H 21 4.510 5.000 -0.490 1
1 249 . 16 1 1 A 21 21 GLN C C 21 173.800 174.391 -0.591 1
1 250 . 16 1 1 A 21 21 GLN CA C 21 54.700 54.304 0.396 1
1 251 . 16 1 1 A 21 21 GLN CB C 21 31.600 30.564 1.036 1
1 253 . 16 1 1 A 21 21 GLN N N 21 124.800 123.971 0.829 1
1 255 . 16 1 1 A 22 22 ILE H H 22 8.070 8.841 -0.771 1
1 256 . 16 1 1 A 22 22 ILE HA H 22 4.820 4.513 0.307 1
1 266 . 16 1 1 A 22 22 ILE C C 22 175.500 176.012 -0.512 1
1 267 . 16 1 1 A 22 22 ILE CA C 22 58.700 60.091 -1.391 1
1 268 . 16 1 1 A 22 22 ILE CB C 22 39.800 39.109 0.691 1
1 272 . 16 1 1 A 22 22 ILE N N 22 120.500 125.897 -5.397 1
1 273 . 16 1 1 A 23 23 ASP H H 23 9.340 8.523 0.817 1
1 274 . 16 1 1 A 23 23 ASP HA H 23 4.570 4.776 -0.206 1
1 277 . 16 1 1 A 23 23 ASP C C 23 178.600 176.448 2.152 1
1 278 . 16 1 1 A 23 23 ASP CA C 23 51.700 52.991 -1.291 1
1 279 . 16 1 1 A 23 23 ASP CB C 23 42.900 41.245 1.655 1
1 280 . 16 1 1 A 23 23 ASP N N 23 128.000 125.723 2.277 1
1 281 . 16 1 1 A 24 24 PHE H H 24 8.860 8.579 0.281 1
1 282 . 16 1 1 A 24 24 PHE HA H 24 3.960 4.032 -0.072 1
1 290 . 16 1 1 A 24 24 PHE C C 24 175.800 177.009 -1.209 1
1 291 . 16 1 1 A 24 24 PHE CA C 24 61.600 61.332 0.268 1
1 292 . 16 1 1 A 24 24 PHE CB C 24 41.800 38.600 3.200 1
1 298 . 16 1 1 A 24 24 PHE N N 24 118.500 119.467 -0.967 1
1 299 . 16 1 1 A 25 25 TYR H H 25 8.340 7.659 0.681 1
1 300 . 16 1 1 A 25 25 TYR HA H 25 4.400 4.312 0.088 1
1 307 . 16 1 1 A 25 25 TYR C C 25 175.700 175.964 -0.264 1
1 308 . 16 1 1 A 25 25 TYR CA C 25 59.200 59.999 -0.799 1
1 309 . 16 1 1 A 25 25 TYR CB C 25 38.700 38.811 -0.111 1
1 314 . 16 1 1 A 25 25 TYR N N 25 114.500 116.665 -2.165 1
1 315 . 16 1 1 A 26 26 GLY H H 26 8.460 7.838 0.622 1
1 316 . 16 1 1 A 26 26 GLY HA2 H 26 4.230 3.956 0.274 1
1 317 . 16 1 1 A 26 26 GLY HA3 H 26 3.500 3.957 -0.457 1
1 318 . 16 1 1 A 26 26 GLY C C 26 174.700 174.698 0.002 1
1 319 . 16 1 1 A 26 26 GLY CA C 26 45.200 45.578 -0.378 1
1 320 . 16 1 1 A 26 26 GLY N N 26 109.700 107.372 2.328 1
1 321 . 16 1 1 A 27 27 ASP H H 27 8.400 7.764 0.636 1
1 322 . 16 1 1 A 27 27 ASP HA H 27 4.330 4.592 -0.262 1
1 325 . 16 1 1 A 27 27 ASP C C 27 175.700 175.856 -0.156 1
1 326 . 16 1 1 A 27 27 ASP CA C 27 56.700 56.103 0.597 1
1 327 . 16 1 1 A 27 27 ASP CB C 27 30.300 41.186 -10.886 1
1 328 . 16 1 1 A 27 27 ASP N N 27 122.700 121.416 1.284 1
1 329 . 16 1 1 A 28 28 GLU H H 28 7.960 7.622 0.338 1
1 330 . 16 1 1 A 28 28 GLU HA H 28 4.280 4.587 -0.307 1
1 335 . 16 1 1 A 28 28 GLU C C 28 175.200 174.038 1.162 1
1 336 . 16 1 1 A 28 28 GLU CA C 28 57.400 56.295 1.105 1
1 337 . 16 1 1 A 28 28 GLU CB C 28 30.500 33.234 -2.734 1
1 339 . 16 1 1 A 28 28 GLU N N 28 126.100 117.621 8.479 1
1 340 . 16 1 1 A 29 29 VAL H H 29 8.550 8.373 0.177 1
1 341 . 16 1 1 A 29 29 VAL HA H 29 4.180 4.904 -0.724 1
1 349 . 16 1 1 A 29 29 VAL C C 29 176.000 175.432 0.568 1
1 350 . 16 1 1 A 29 29 VAL CA C 29 61.500 61.151 0.349 1
1 351 . 16 1 1 A 29 29 VAL CB C 29 32.300 33.905 -1.605 1
1 354 . 16 1 1 A 29 29 VAL N N 29 123.500 126.699 -3.199 1
1 355 . 16 1 1 A 30 30 THR H H 30 9.720 8.602 1.118 1
1 356 . 16 1 1 A 30 30 THR HA H 30 5.010 4.956 0.054 1
1 361 . 16 1 1 A 30 30 THR CA C 30 60.800 58.362 2.438 1
1 362 . 16 1 1 A 30 30 THR CB C 30 68.700 69.717 -1.017 1
1 364 . 16 1 1 A 30 30 THR N N 30 122.300 117.802 4.498 1
1 365 . 16 1 1 A 31 31 PRO HA H 31 4.510 4.599 -0.089 1
1 372 . 16 1 1 A 31 31 PRO C C 31 176.400 177.122 -0.722 1
1 373 . 16 1 1 A 31 31 PRO CA C 31 65.200 64.250 0.950 1
1 374 . 16 1 1 A 31 31 PRO CB C 31 32.600 31.672 0.928 1
1 377 . 16 1 1 A 32 32 VAL H H 32 6.830 7.856 -1.026 1
1 378 . 16 1 1 A 32 32 VAL HA H 32 4.450 4.280 0.170 1
1 386 . 16 1 1 A 32 32 VAL C C 32 175.700 175.524 0.176 1
1 387 . 16 1 1 A 32 32 VAL CA C 32 60.600 62.247 -1.647 1
1 388 . 16 1 1 A 32 32 VAL CB C 32 31.200 31.917 -0.717 1
1 391 . 16 1 1 A 32 32 VAL N N 32 105.600 116.106 -10.506 1
1 392 . 16 1 1 A 33 33 ASP H H 33 7.800 8.085 -0.285 1
1 393 . 16 1 1 A 33 33 ASP HA H 33 4.910 5.014 -0.104 1
1 396 . 16 1 1 A 33 33 ASP C C 33 174.900 173.978 0.922 1
1 397 . 16 1 1 A 33 33 ASP CA C 33 55.100 52.102 2.998 1
1 398 . 16 1 1 A 33 33 ASP CB C 33 43.900 43.462 0.438 1
1 399 . 16 1 1 A 33 33 ASP N N 33 122.100 122.974 -0.874 1
1 400 . 16 1 1 A 34 34 ASP H H 34 8.810 8.494 0.316 1
1 401 . 16 1 1 A 34 34 ASP HA H 34 5.060 5.566 -0.506 1
1 404 . 16 1 1 A 34 34 ASP C C 34 176.500 174.998 1.502 1
1 405 . 16 1 1 A 34 34 ASP CA C 34 53.700 52.874 0.826 1
1 406 . 16 1 1 A 34 34 ASP CB C 34 41.600 43.171 -1.571 1
1 407 . 16 1 1 A 34 34 ASP N N 34 121.800 120.112 1.688 1
1 408 . 16 1 1 A 35 35 TYR H H 35 8.570 8.701 -0.131 1
1 409 . 16 1 1 A 35 35 TYR HA H 35 5.220 5.444 -0.224 1
1 416 . 16 1 1 A 35 35 TYR C C 35 171.800 173.112 -1.312 1
1 417 . 16 1 1 A 35 35 TYR CA C 35 56.300 55.960 0.340 1
1 418 . 16 1 1 A 35 35 TYR CB C 35 40.700 42.176 -1.476 1
1 423 . 16 1 1 A 35 35 TYR N N 35 117.900 119.328 -1.428 1
1 424 . 16 1 1 A 36 36 VAL H H 36 9.340 8.831 0.509 1
1 425 . 16 1 1 A 36 36 VAL HA H 36 4.660 4.702 -0.042 1
1 433 . 16 1 1 A 36 36 VAL C C 36 173.300 174.645 -1.345 1
1 434 . 16 1 1 A 36 36 VAL CA C 36 59.300 60.507 -1.207 1
1 435 . 16 1 1 A 36 36 VAL CB C 36 35.100 36.222 -1.122 1
1 438 . 16 1 1 A 36 36 VAL N N 36 120.700 119.342 1.358 1
1 439 . 16 1 1 A 37 37 ILE H H 37 8.820 8.925 -0.105 1
1 440 . 16 1 1 A 37 37 ILE HA H 37 4.820 4.980 -0.160 1
1 450 . 16 1 1 A 37 37 ILE C C 37 175.500 174.068 1.432 1
1 451 . 16 1 1 A 37 37 ILE CA C 37 59.700 59.966 -0.266 1
1 452 . 16 1 1 A 37 37 ILE CB C 37 40.600 38.742 1.858 1
1 456 . 16 1 1 A 37 37 ILE N N 37 124.100 127.464 -3.364 1
1 457 . 16 1 1 A 38 38 ASP H H 38 8.280 8.898 -0.618 1
1 458 . 16 1 1 A 38 38 ASP HA H 38 4.430 4.942 -0.512 1
1 461 . 16 1 1 A 38 38 ASP C C 38 177.000 176.791 0.209 1
1 462 . 16 1 1 A 38 38 ASP CA C 38 51.400 53.335 -1.935 1
1 463 . 16 1 1 A 38 38 ASP CB C 38 41.200 41.306 -0.106 1
1 464 . 16 1 1 A 38 38 ASP N N 38 126.600 128.192 -1.592 1
1 465 . 16 1 1 A 39 39 GLY H H 39 8.910 8.218 0.692 1
1 466 . 16 1 1 A 39 39 GLY HA2 H 39 3.640 3.943 -0.303 1
1 467 . 16 1 1 A 39 39 GLY HA3 H 39 3.850 3.989 -0.139 1
1 468 . 16 1 1 A 39 39 GLY C C 39 174.500 174.255 0.245 1
1 469 . 16 1 1 A 39 39 GLY CA C 39 47.600 45.470 2.130 1
1 470 . 16 1 1 A 39 39 GLY N N 39 114.900 114.278 0.622 1
1 471 . 16 1 1 A 40 40 GLY H H 40 8.220 8.479 -0.259 1
1 472 . 16 1 1 A 40 40 GLY HA2 H 40 3.900 4.105 -0.205 1
1 473 . 16 1 1 A 40 40 GLY HA3 H 40 3.900 4.112 -0.212 1
1 474 . 16 1 1 A 40 40 GLY C C 40 173.900 174.735 -0.835 1
1 475 . 16 1 1 A 40 40 GLY CA C 40 45.000 45.408 -0.408 1
1 476 . 16 1 1 A 40 40 GLY N N 40 112.200 107.389 4.811 1
1 477 . 16 1 1 A 41 41 GLU H H 41 7.770 7.743 0.027 1
1 478 . 16 1 1 A 41 41 GLU HA H 41 4.750 4.497 0.253 1
1 483 . 16 1 1 A 41 41 GLU C C 41 174.800 175.626 -0.826 1
1 484 . 16 1 1 A 41 41 GLU CA C 41 54.300 56.302 -2.002 1
1 485 . 16 1 1 A 41 41 GLU CB C 41 30.300 30.874 -0.574 1
1 487 . 16 1 1 A 41 41 GLU N N 41 120.200 120.390 -0.190 1
1 488 . 16 1 1 A 42 42 ILE H H 42 8.720 8.450 0.270 1
1 489 . 16 1 1 A 42 42 ILE HA H 42 4.780 4.811 -0.031 1
1 499 . 16 1 1 A 42 42 ILE C C 42 174.800 175.188 -0.388 1
1 500 . 16 1 1 A 42 42 ILE CA C 42 59.200 60.053 -0.853 1
1 501 . 16 1 1 A 42 42 ILE CB C 42 40.300 39.210 1.090 1
1 505 . 16 1 1 A 42 42 ILE N N 42 122.000 123.237 -1.237 1
1 506 . 16 1 1 A 43 43 ILE H H 43 9.230 8.696 0.534 1
1 507 . 16 1 1 A 43 43 ILE HA H 43 4.480 4.619 -0.139 1
1 517 . 16 1 1 A 43 43 ILE C C 43 176.400 175.051 1.349 1
1 518 . 16 1 1 A 43 43 ILE CA C 43 61.000 60.097 0.903 1
1 519 . 16 1 1 A 43 43 ILE CB C 43 42.300 41.768 0.532 1
1 523 . 16 1 1 A 43 43 ILE N N 43 126.400 127.587 -1.187 1
1 524 . 16 1 1 A 44 44 LEU H H 44 10.930 8.721 2.209 1
1 525 . 16 1 1 A 44 44 LEU HA H 44 4.280 4.292 -0.012 1
1 535 . 16 1 1 A 44 44 LEU C C 44 179.300 178.227 1.073 1
1 536 . 16 1 1 A 44 44 LEU CA C 44 56.500 55.864 0.636 1
1 537 . 16 1 1 A 44 44 LEU CB C 44 42.600 43.611 -1.011 1
1 541 . 16 1 1 A 44 44 LEU N N 44 130.900 128.965 1.935 1
1 542 . 16 1 1 A 45 45 ARG H H 45 8.610 9.161 -0.551 1
1 543 . 16 1 1 A 45 45 ARG HA H 45 3.890 4.023 -0.133 1
1 551 . 16 1 1 A 45 45 ARG C C 45 179.300 178.257 1.043 1
1 552 . 16 1 1 A 45 45 ARG CA C 45 60.200 59.283 0.917 1
1 553 . 16 1 1 A 45 45 ARG CB C 45 29.400 30.028 -0.628 1
1 556 . 16 1 1 A 45 45 ARG N N 45 125.400 126.561 -1.161 1
1 558 . 16 1 1 A 46 46 GLU H H 46 9.020 7.811 1.209 1
1 559 . 16 1 1 A 46 46 GLU HA H 46 4.210 4.126 0.084 1
1 564 . 16 1 1 A 46 46 GLU C C 46 176.700 177.993 -1.293 1
1 565 . 16 1 1 A 46 46 GLU CA C 46 59.000 58.798 0.202 1
1 566 . 16 1 1 A 46 46 GLU CB C 46 29.600 29.479 0.121 1
1 568 . 16 1 1 A 46 46 GLU N N 46 117.500 119.633 -2.133 1
1 569 . 16 1 1 A 47 47 ASN H H 47 7.870 8.029 -0.159 1
1 570 . 16 1 1 A 47 47 ASN HA H 47 5.100 4.926 0.174 1
1 573 . 16 1 1 A 47 47 ASN C C 47 175.200 176.908 -1.708 1
1 574 . 16 1 1 A 47 47 ASN CA C 47 52.800 54.014 -1.214 1
1 575 . 16 1 1 A 47 47 ASN CB C 47 40.500 39.755 0.745 1
1 576 . 16 1 1 A 47 47 ASN N N 47 115.900 116.042 -0.142 1
1 577 . 16 1 1 A 48 48 LEU H H 48 7.760 7.923 -0.163 1
1 578 . 16 1 1 A 48 48 LEU HA H 48 4.060 4.156 -0.096 1
1 588 . 16 1 1 A 48 48 LEU C C 48 177.200 178.288 -1.088 1
1 589 . 16 1 1 A 48 48 LEU CA C 48 59.000 57.956 1.044 1
1 590 . 16 1 1 A 48 48 LEU CB C 48 42.800 41.838 0.962 1
1 594 . 16 1 1 A 48 48 LEU N N 48 122.300 122.037 0.263 1
1 595 . 16 1 1 A 49 49 GLU H H 49 8.770 8.375 0.395 1
1 596 . 16 1 1 A 49 49 GLU HA H 49 3.670 3.921 -0.251 1
1 601 . 16 1 1 A 49 49 GLU C C 49 176.200 179.285 -3.085 1
1 602 . 16 1 1 A 49 49 GLU CA C 49 61.300 60.178 1.122 1
1 603 . 16 1 1 A 49 49 GLU CB C 49 28.200 29.481 -1.281 1
1 605 . 16 1 1 A 49 49 GLU N N 49 118.800 119.224 -0.424 1
1 606 . 16 1 1 A 50 50 ARG H H 50 8.000 8.059 -0.059 1
1 607 . 16 1 1 A 50 50 ARG HA H 50 3.860 4.106 -0.246 1
1 615 . 16 1 1 A 50 50 ARG C C 50 174.100 178.571 -4.471 1
1 616 . 16 1 1 A 50 50 ARG CA C 50 60.100 58.888 1.212 1
1 617 . 16 1 1 A 50 50 ARG CB C 50 29.900 29.807 0.093 1
1 620 . 16 1 1 A 50 50 ARG N N 50 119.100 120.191 -1.091 1
1 622 . 16 1 1 A 51 51 TYR H H 51 8.250 8.129 0.121 1
1 623 . 16 1 1 A 51 51 TYR HA H 51 4.610 4.154 0.456 1
1 630 . 16 1 1 A 51 51 TYR C C 51 178.500 177.159 1.341 1
1 631 . 16 1 1 A 51 51 TYR CA C 51 61.700 60.803 0.897 1
1 632 . 16 1 1 A 51 51 TYR CB C 51 40.000 38.757 1.243 1
1 637 . 16 1 1 A 51 51 TYR N N 51 120.400 120.864 -0.464 1
1 638 . 16 1 1 A 52 52 LEU H H 52 9.030 8.349 0.681 1
1 639 . 16 1 1 A 52 52 LEU HA H 52 3.690 3.898 -0.208 1
1 649 . 16 1 1 A 52 52 LEU C C 52 180.000 179.345 0.655 1
1 650 . 16 1 1 A 52 52 LEU CA C 52 57.600 57.661 -0.061 1
1 651 . 16 1 1 A 52 52 LEU CB C 52 40.800 41.286 -0.486 1
1 655 . 16 1 1 A 52 52 LEU N N 52 118.300 119.554 -1.254 1
1 656 . 16 1 1 A 53 53 ARG H H 53 8.530 7.805 0.725 1
1 657 . 16 1 1 A 53 53 ARG HA H 53 4.820 3.835 0.985 1
1 665 . 16 1 1 A 53 53 ARG C C 53 179.100 178.645 0.455 1
1 666 . 16 1 1 A 53 53 ARG CA C 53 59.300 59.401 -0.101 1
1 667 . 16 1 1 A 53 53 ARG CB C 53 31.900 29.811 2.089 1
1 670 . 16 1 1 A 53 53 ARG N N 53 119.400 120.304 -0.904 1
1 672 . 16 1 1 A 54 54 GLU H H 54 9.090 7.539 1.551 1
1 673 . 16 1 1 A 54 54 GLU HA H 54 4.100 4.061 0.039 1
1 678 . 16 1 1 A 54 54 GLU C C 54 178.700 178.073 0.627 1
1 679 . 16 1 1 A 54 54 GLU CA C 54 59.300 58.635 0.665 1
1 680 . 16 1 1 A 54 54 GLU CB C 54 31.000 29.731 1.269 1
1 682 . 16 1 1 A 54 54 GLU N N 54 116.700 118.870 -2.170 1
1 683 . 16 1 1 A 55 55 GLN H H 55 8.760 8.218 0.542 1
1 684 . 16 1 1 A 55 55 GLN HA H 55 4.290 4.285 0.005 1
1 691 . 16 1 1 A 55 55 GLN C C 55 177.700 175.700 2.000 1
1 692 . 16 1 1 A 55 55 GLN CA C 55 55.800 57.451 -1.651 1
1 693 . 16 1 1 A 55 55 GLN CB C 55 28.000 30.320 -2.320 1
1 695 . 16 1 1 A 55 55 GLN N N 55 113.900 117.868 -3.968 1
1 697 . 16 1 1 A 56 56 LEU H H 56 6.650 7.615 -0.965 1
1 698 . 16 1 1 A 56 56 LEU HA H 56 4.700 3.989 0.711 1
1 708 . 16 1 1 A 56 56 LEU C C 56 178.000 176.181 1.819 1
1 709 . 16 1 1 A 56 56 LEU CA C 56 55.300 56.022 -0.722 1
1 710 . 16 1 1 A 56 56 LEU CB C 56 43.800 41.048 2.752 1
1 714 . 16 1 1 A 56 56 LEU N N 56 116.200 119.844 -3.644 1
1 715 . 16 1 1 A 57 57 GLY H H 57 7.160 9.319 -2.159 1
1 716 . 16 1 1 A 57 57 GLY HA2 H 57 4.070 3.749 0.321 1
1 717 . 16 1 1 A 57 57 GLY HA3 H 57 4.070 3.895 0.175 1
1 718 . 16 1 1 A 57 57 GLY C C 57 175.000 173.484 1.516 1
1 719 . 16 1 1 A 57 57 GLY CA C 57 46.900 46.476 0.424 1
1 720 . 16 1 1 A 57 57 GLY N N 57 109.000 105.328 3.672 1
1 721 . 16 1 1 A 58 58 PHE H H 58 8.480 8.095 0.385 1
1 722 . 16 1 1 A 58 58 PHE HA H 58 4.690 5.050 -0.360 1
1 730 . 16 1 1 A 58 58 PHE C C 58 175.700 174.618 1.082 1
1 731 . 16 1 1 A 58 58 PHE CA C 58 57.900 56.415 1.485 1
1 732 . 16 1 1 A 58 58 PHE CB C 58 39.500 43.098 -3.598 1
1 738 . 16 1 1 A 58 58 PHE N N 58 123.100 118.354 4.746 1
1 739 . 16 1 1 A 59 59 GLU H H 59 8.440 9.013 -0.573 1
1 740 . 16 1 1 A 59 59 GLU HA H 59 4.820 4.840 -0.020 1
1 745 . 16 1 1 A 59 59 GLU C C 59 174.700 174.842 -0.142 1
1 746 . 16 1 1 A 59 59 GLU CA C 59 54.600 55.991 -1.391 1
1 747 . 16 1 1 A 59 59 GLU CB C 59 32.800 30.079 2.721 1
1 749 . 16 1 1 A 59 59 GLU N N 59 118.600 123.681 -5.081 1
1 750 . 16 1 1 A 60 60 PHE H H 60 9.110 9.072 0.038 1
1 751 . 16 1 1 A 60 60 PHE HA H 60 4.470 5.372 -0.902 1
1 759 . 16 1 1 A 60 60 PHE C C 60 175.100 174.070 1.030 1
1 760 . 16 1 1 A 60 60 PHE CA C 60 58.100 56.177 1.923 1
1 761 . 16 1 1 A 60 60 PHE CB C 60 39.900 41.355 -1.455 1
1 767 . 16 1 1 A 60 60 PHE N N 60 124.300 126.749 -2.449 1
1 768 . 16 1 1 A 61 61 LYS H H 61 8.510 8.558 -0.048 1
1 769 . 16 1 1 A 61 61 LYS HA H 61 4.360 4.967 -0.607 1
1 778 . 16 1 1 A 61 61 LYS C C 61 174.700 175.272 -0.572 1
1 779 . 16 1 1 A 61 61 LYS CA C 61 53.800 54.481 -0.681 1
1 780 . 16 1 1 A 61 61 LYS CB C 61 31.300 36.444 -5.144 1
1 784 . 16 1 1 A 61 61 LYS N N 61 124.900 126.279 -1.379 1
1 785 . 16 1 1 A 62 62 ASN H H 62 8.400 8.941 -0.541 1
1 786 . 16 1 1 A 62 62 ASN HA H 62 4.910 5.031 -0.121 1
1 789 . 16 1 1 A 62 62 ASN C C 62 175.500 175.330 0.170 1
1 790 . 16 1 1 A 62 62 ASN CA C 62 52.400 52.304 0.096 1
1 791 . 16 1 1 A 62 62 ASN CB C 62 39.400 40.923 -1.523 1
1 792 . 16 1 1 A 62 62 ASN N N 62 121.800 116.829 4.971 1
1 793 . 16 1 1 A 63 63 ALA H H 63 8.960 8.586 0.374 1
1 794 . 16 1 1 A 63 63 ALA HA H 63 4.170 4.216 -0.046 1
1 798 . 16 1 1 A 63 63 ALA C C 63 178.200 178.256 -0.056 1
1 799 . 16 1 1 A 63 63 ALA CA C 63 53.300 52.152 1.148 1
1 800 . 16 1 1 A 63 63 ALA CB C 63 19.300 19.356 -0.056 1
1 801 . 16 1 1 A 63 63 ALA N N 63 126.200 122.497 3.703 1
1 802 . 16 1 1 A 64 64 GLN H H 64 8.570 8.096 0.474 1
1 803 . 16 1 1 A 64 64 GLN HA H 64 4.280 4.276 0.004 1
1 810 . 16 1 1 A 64 64 GLN C C 64 176.200 174.913 1.287 1
1 811 . 16 1 1 A 64 64 GLN CA C 64 56.300 57.859 -1.559 1
1 812 . 16 1 1 A 64 64 GLN CB C 64 29.400 28.499 0.901 1
1 814 . 16 1 1 A 64 64 GLN N N 64 119.900 116.740 3.160 1
1 816 . 16 1 1 A 65 65 LEU H H 65 8.080 8.416 -0.336 1
1 817 . 16 1 1 A 65 65 LEU HA H 65 4.320 4.388 -0.068 1
1 827 . 16 1 1 A 65 65 LEU C C 65 177.200 177.190 0.010 1
1 828 . 16 1 1 A 65 65 LEU CA C 65 55.300 54.035 1.265 1
1 829 . 16 1 1 A 65 65 LEU CB C 65 42.700 40.360 2.340 1
1 833 . 16 1 1 A 65 65 LEU N N 65 121.700 120.496 1.204 1
1 834 . 16 1 1 A 66 66 GLU H H 66 8.290 8.422 -0.132 1
1 835 . 16 1 1 A 66 66 GLU HA H 66 4.190 4.305 -0.115 1
1 840 . 16 1 1 A 66 66 GLU C C 66 176.300 178.026 -1.726 1
1 841 . 16 1 1 A 66 66 GLU CA C 66 56.800 58.306 -1.506 1
1 842 . 16 1 1 A 66 66 GLU CB C 66 30.400 29.113 1.287 1
1 844 . 16 1 1 A 66 66 GLU N N 66 120.400 125.680 -5.280 1
1 845 . 16 1 1 A 67 67 HIS H H 67 8.280 7.909 0.371 1
1 846 . 16 1 1 A 67 67 HIS HA H 67 4.620 4.581 0.039 1
1 850 . 16 1 1 A 67 67 HIS C C 67 173.900 176.645 -2.745 1
1 851 . 16 1 1 A 67 67 HIS CA C 67 55.900 57.971 -2.071 1
1 852 . 16 1 1 A 67 67 HIS CB C 67 30.100 29.023 1.077 1
1 854 . 16 1 1 A 67 67 HIS N N 67 119.300 117.613 1.687 1
1 855 . 16 1 1 A 68 68 HIS H H 68 8.180 7.574 0.606 1
1 856 . 16 1 1 A 68 68 HIS HA H 68 4.440 4.469 -0.029 1
1 859 . 16 1 1 A 68 68 HIS CA C 68 57.300 56.687 0.613 1
1 860 . 16 1 1 A 68 68 HIS CB C 68 30.200 29.010 1.190 1
1 861 . 16 1 1 A 68 68 HIS N N 68 125.300 117.080 8.220 1
1 2 . 17 1 1 A 2 2 VAL H H 2 8.100 8.618 -0.518 1
1 3 . 17 1 1 A 2 2 VAL HA H 2 4.090 3.979 0.111 1
1 5 . 17 1 1 A 2 2 VAL C C 2 176.500 176.561 -0.061 1
1 6 . 17 1 1 A 2 2 VAL CA C 2 62.300 64.505 -2.205 1
1 7 . 17 1 1 A 2 2 VAL CB C 2 32.700 31.894 0.806 1
1 8 . 17 1 1 A 2 2 VAL N N 2 124.800 121.919 2.881 1
1 9 . 17 1 1 A 3 3 GLU H H 3 8.500 7.849 0.651 1
1 10 . 17 1 1 A 3 3 GLU HA H 3 4.280 4.789 -0.509 1
1 15 . 17 1 1 A 3 3 GLU C C 3 175.900 175.460 0.440 1
1 16 . 17 1 1 A 3 3 GLU CA C 3 56.500 54.891 1.609 1
1 17 . 17 1 1 A 3 3 GLU CB C 3 30.400 31.686 -1.286 1
1 19 . 17 1 1 A 3 3 GLU N N 3 124.200 121.508 2.692 1
1 20 . 17 1 1 A 4 4 ASN H H 4 8.500 8.811 -0.311 1
1 21 . 17 1 1 A 4 4 ASN HA H 4 4.970 5.216 -0.246 1
1 26 . 17 1 1 A 4 4 ASN CA C 4 51.200 49.548 1.652 1
1 27 . 17 1 1 A 4 4 ASN CB C 4 39.000 39.086 -0.086 1
1 28 . 17 1 1 A 4 4 ASN N N 4 120.700 122.660 -1.960 1
1 30 . 17 1 1 A 5 5 PRO HA H 5 4.390 4.696 -0.306 1
1 37 . 17 1 1 A 5 5 PRO C C 5 176.800 176.787 0.013 1
1 38 . 17 1 1 A 5 5 PRO CA C 5 63.500 62.206 1.294 1
1 39 . 17 1 1 A 5 5 PRO CB C 5 32.200 31.580 0.620 1
1 42 . 17 1 1 A 6 6 MET H H 6 8.300 8.228 0.072 1
1 43 . 17 1 1 A 6 6 MET HA H 6 4.400 4.571 -0.171 1
1 51 . 17 1 1 A 6 6 MET C C 6 176.200 176.308 -0.108 1
1 52 . 17 1 1 A 6 6 MET CA C 6 55.800 54.886 0.914 1
1 53 . 17 1 1 A 6 6 MET CB C 6 32.600 32.727 -0.127 1
1 56 . 17 1 1 A 6 6 MET N N 6 119.400 120.923 -1.523 1
1 57 . 17 1 1 A 7 7 VAL H H 7 7.980 7.429 0.551 1
1 58 . 17 1 1 A 7 7 VAL HA H 7 4.080 4.055 0.025 1
1 66 . 17 1 1 A 7 7 VAL C C 7 175.800 176.642 -0.842 1
1 67 . 17 1 1 A 7 7 VAL CA C 7 62.400 63.275 -0.875 1
1 68 . 17 1 1 A 7 7 VAL CB C 7 32.800 30.915 1.885 1
1 71 . 17 1 1 A 7 7 VAL N N 7 121.500 122.771 -1.271 1
1 72 . 17 1 1 A 8 8 ILE H H 8 8.140 8.759 -0.619 1
1 73 . 17 1 1 A 8 8 ILE HA H 8 4.120 3.824 0.296 1
1 83 . 17 1 1 A 8 8 ILE C C 8 175.800 176.055 -0.255 1
1 84 . 17 1 1 A 8 8 ILE CA C 8 60.900 63.708 -2.808 1
1 85 . 17 1 1 A 8 8 ILE CB C 8 38.600 36.690 1.910 1
1 89 . 17 1 1 A 8 8 ILE N N 8 124.500 123.850 0.650 1
1 90 . 17 1 1 A 9 9 ASN H H 9 8.450 8.185 0.265 1
1 91 . 17 1 1 A 9 9 ASN HA H 9 4.630 5.020 -0.390 1
1 96 . 17 1 1 A 9 9 ASN C C 9 174.700 175.550 -0.850 1
1 97 . 17 1 1 A 9 9 ASN CA C 9 53.200 53.765 -0.565 1
1 98 . 17 1 1 A 9 9 ASN CB C 9 39.000 40.501 -1.501 1
1 99 . 17 1 1 A 9 9 ASN N N 9 122.700 121.906 0.794 1
1 101 . 17 1 1 A 10 10 ASN H H 10 8.320 7.716 0.604 1
1 102 . 17 1 1 A 10 10 ASN HA H 10 4.680 4.783 -0.103 1
1 107 . 17 1 1 A 10 10 ASN C C 10 175.000 174.071 0.929 1
1 108 . 17 1 1 A 10 10 ASN CA C 10 53.100 54.470 -1.370 1
1 109 . 17 1 1 A 10 10 ASN CB C 10 38.700 40.231 -1.531 1
1 110 . 17 1 1 A 10 10 ASN N N 10 119.600 111.416 8.184 1
1 112 . 17 1 1 A 11 11 TRP H H 11 8.060 7.658 0.402 1
1 113 . 17 1 1 A 11 11 TRP HA H 11 4.550 5.031 -0.481 1
1 122 . 17 1 1 A 11 11 TRP C C 11 176.200 176.528 -0.328 1
1 123 . 17 1 1 A 11 11 TRP CA C 11 57.800 56.591 1.209 1
1 124 . 17 1 1 A 11 11 TRP CB C 11 29.300 31.364 -2.064 1
1 130 . 17 1 1 A 11 11 TRP N N 11 121.200 117.575 3.625 1
1 132 . 17 1 1 A 12 12 HIS H H 12 7.980 8.967 -0.987 1
1 133 . 17 1 1 A 12 12 HIS HA H 12 4.410 4.877 -0.467 1
1 137 . 17 1 1 A 12 12 HIS C C 12 174.400 173.972 0.428 1
1 138 . 17 1 1 A 12 12 HIS CA C 12 56.200 55.496 0.704 1
1 139 . 17 1 1 A 12 12 HIS CB C 12 29.600 30.731 -1.131 1
1 141 . 17 1 1 A 12 12 HIS N N 12 119.900 122.385 -2.485 1
1 142 . 17 1 1 A 13 13 ASP H H 13 8.130 8.017 0.113 1
1 143 . 17 1 1 A 13 13 ASP HA H 13 4.470 4.603 -0.133 1
1 146 . 17 1 1 A 13 13 ASP C C 13 176.100 175.862 0.238 1
1 147 . 17 1 1 A 13 13 ASP CA C 13 54.700 52.430 2.270 1
1 148 . 17 1 1 A 13 13 ASP CB C 13 41.100 43.085 -1.985 1
1 149 . 17 1 1 A 13 13 ASP N N 13 120.600 120.879 -0.279 1
1 150 . 17 1 1 A 14 14 LYS H H 14 8.150 8.557 -0.407 1
1 151 . 17 1 1 A 14 14 LYS HA H 14 4.270 4.428 -0.158 1
1 160 . 17 1 1 A 14 14 LYS C C 14 176.600 175.997 0.603 1
1 161 . 17 1 1 A 14 14 LYS CA C 14 56.500 56.245 0.255 1
1 162 . 17 1 1 A 14 14 LYS CB C 14 32.900 32.767 0.133 1
1 166 . 17 1 1 A 14 14 LYS N N 14 120.900 123.140 -2.240 1
1 167 . 17 1 1 A 15 15 LEU H H 15 8.220 7.488 0.732 1
1 168 . 17 1 1 A 15 15 LEU HA H 15 4.360 4.199 0.161 1
1 178 . 17 1 1 A 15 15 LEU C C 15 177.600 176.455 1.145 1
1 179 . 17 1 1 A 15 15 LEU CA C 15 55.600 55.117 0.483 1
1 180 . 17 1 1 A 15 15 LEU CB C 15 42.200 42.268 -0.068 1
1 184 . 17 1 1 A 15 15 LEU N N 15 122.500 122.183 0.317 1
1 185 . 17 1 1 A 16 16 THR H H 16 8.090 8.588 -0.498 1
1 186 . 17 1 1 A 16 16 THR HA H 16 4.340 4.272 0.068 1
1 191 . 17 1 1 A 16 16 THR C C 16 174.700 176.102 -1.402 1
1 192 . 17 1 1 A 16 16 THR CA C 16 61.700 64.304 -2.604 1
1 193 . 17 1 1 A 16 16 THR CB C 16 70.000 69.112 0.888 1
1 195 . 17 1 1 A 16 16 THR N N 16 113.800 118.837 -5.037 1
1 196 . 17 1 1 A 17 17 GLU H H 17 8.400 8.034 0.366 1
1 197 . 17 1 1 A 17 17 GLU HA H 17 4.330 4.258 0.072 1
1 202 . 17 1 1 A 17 17 GLU C C 17 176.500 178.034 -1.534 1
1 203 . 17 1 1 A 17 17 GLU CA C 17 56.900 58.200 -1.300 1
1 204 . 17 1 1 A 17 17 GLU CB C 17 30.200 29.670 0.530 1
1 206 . 17 1 1 A 17 17 GLU N N 17 122.700 122.059 0.641 1
1 207 . 17 1 1 A 18 18 THR H H 18 8.040 7.761 0.279 1
1 208 . 17 1 1 A 18 18 THR HA H 18 4.350 4.224 0.126 1
1 213 . 17 1 1 A 18 18 THR C C 18 174.000 173.989 0.011 1
1 214 . 17 1 1 A 18 18 THR CA C 18 61.700 63.211 -1.511 1
1 215 . 17 1 1 A 18 18 THR CB C 18 69.800 70.631 -0.831 1
1 217 . 17 1 1 A 18 18 THR N N 18 113.600 109.588 4.012 1
1 218 . 17 1 1 A 19 19 ASP H H 19 8.290 8.137 0.153 1
1 219 . 17 1 1 A 19 19 ASP HA H 19 4.640 4.776 -0.136 1
1 222 . 17 1 1 A 19 19 ASP C C 19 175.500 175.193 0.307 1
1 223 . 17 1 1 A 19 19 ASP CA C 19 54.500 53.068 1.432 1
1 224 . 17 1 1 A 19 19 ASP CB C 19 41.200 41.814 -0.614 1
1 225 . 17 1 1 A 19 19 ASP N N 19 122.900 116.781 6.119 1
1 226 . 17 1 1 A 20 20 VAL H H 20 7.900 7.262 0.638 1
1 227 . 17 1 1 A 20 20 VAL HA H 20 4.200 4.053 0.147 1
1 235 . 17 1 1 A 20 20 VAL C C 20 175.400 175.128 0.272 1
1 236 . 17 1 1 A 20 20 VAL CA C 20 61.900 62.516 -0.616 1
1 237 . 17 1 1 A 20 20 VAL CB C 20 33.500 31.150 2.350 1
1 240 . 17 1 1 A 20 20 VAL N N 20 119.900 120.701 -0.801 1
1 241 . 17 1 1 A 21 21 GLN H H 21 8.490 8.429 0.061 1
1 242 . 17 1 1 A 21 21 GLN HA H 21 4.510 4.883 -0.373 1
1 249 . 17 1 1 A 21 21 GLN C C 21 173.800 174.820 -1.020 1
1 250 . 17 1 1 A 21 21 GLN CA C 21 54.700 54.674 0.026 1
1 251 . 17 1 1 A 21 21 GLN CB C 21 31.600 30.566 1.034 1
1 253 . 17 1 1 A 21 21 GLN N N 21 124.800 126.098 -1.298 1
1 255 . 17 1 1 A 22 22 ILE H H 22 8.070 8.763 -0.693 1
1 256 . 17 1 1 A 22 22 ILE HA H 22 4.820 4.807 0.013 1
1 266 . 17 1 1 A 22 22 ILE C C 22 175.500 175.601 -0.101 1
1 267 . 17 1 1 A 22 22 ILE CA C 22 58.700 59.374 -0.674 1
1 268 . 17 1 1 A 22 22 ILE CB C 22 39.800 41.350 -1.550 1
1 272 . 17 1 1 A 22 22 ILE N N 22 120.500 123.667 -3.167 1
1 273 . 17 1 1 A 23 23 ASP H H 23 9.340 8.608 0.732 1
1 274 . 17 1 1 A 23 23 ASP HA H 23 4.570 4.964 -0.394 1
1 277 . 17 1 1 A 23 23 ASP C C 23 178.600 176.523 2.077 1
1 278 . 17 1 1 A 23 23 ASP CA C 23 51.700 52.798 -1.098 1
1 279 . 17 1 1 A 23 23 ASP CB C 23 42.900 41.400 1.500 1
1 280 . 17 1 1 A 23 23 ASP N N 23 128.000 124.711 3.289 1
1 281 . 17 1 1 A 24 24 PHE H H 24 8.860 9.000 -0.140 1
1 282 . 17 1 1 A 24 24 PHE HA H 24 3.960 4.156 -0.196 1
1 290 . 17 1 1 A 24 24 PHE C C 24 175.800 176.946 -1.146 1
1 291 . 17 1 1 A 24 24 PHE CA C 24 61.600 60.578 1.022 1
1 292 . 17 1 1 A 24 24 PHE CB C 24 41.800 39.033 2.767 1
1 298 . 17 1 1 A 24 24 PHE N N 24 118.500 119.412 -0.912 1
1 299 . 17 1 1 A 25 25 TYR H H 25 8.340 8.303 0.037 1
1 300 . 17 1 1 A 25 25 TYR HA H 25 4.400 4.420 -0.020 1
1 307 . 17 1 1 A 25 25 TYR C C 25 175.700 175.632 0.068 1
1 308 . 17 1 1 A 25 25 TYR CA C 25 59.200 57.945 1.255 1
1 309 . 17 1 1 A 25 25 TYR CB C 25 38.700 38.745 -0.045 1
1 314 . 17 1 1 A 25 25 TYR N N 25 114.500 114.354 0.146 1
1 315 . 17 1 1 A 26 26 GLY H H 26 8.460 7.928 0.532 1
1 316 . 17 1 1 A 26 26 GLY HA2 H 26 4.230 3.957 0.273 1
1 317 . 17 1 1 A 26 26 GLY HA3 H 26 3.500 3.962 -0.462 1
1 318 . 17 1 1 A 26 26 GLY C C 26 174.700 174.372 0.328 1
1 319 . 17 1 1 A 26 26 GLY CA C 26 45.200 46.630 -1.430 1
1 320 . 17 1 1 A 26 26 GLY N N 26 109.700 108.622 1.078 1
1 321 . 17 1 1 A 27 27 ASP H H 27 8.400 8.298 0.102 1
1 322 . 17 1 1 A 27 27 ASP HA H 27 4.330 4.804 -0.474 1
1 325 . 17 1 1 A 27 27 ASP C C 27 175.700 175.684 0.016 1
1 326 . 17 1 1 A 27 27 ASP CA C 27 56.700 55.704 0.996 1
1 327 . 17 1 1 A 27 27 ASP CB C 27 30.300 41.680 -11.380 1
1 328 . 17 1 1 A 27 27 ASP N N 27 122.700 120.681 2.019 1
1 329 . 17 1 1 A 28 28 GLU H H 28 7.960 7.638 0.322 1
1 330 . 17 1 1 A 28 28 GLU HA H 28 4.280 4.592 -0.312 1
1 335 . 17 1 1 A 28 28 GLU C C 28 175.200 173.922 1.278 1
1 336 . 17 1 1 A 28 28 GLU CA C 28 57.400 56.255 1.145 1
1 337 . 17 1 1 A 28 28 GLU CB C 28 30.500 33.598 -3.098 1
1 339 . 17 1 1 A 28 28 GLU N N 28 126.100 117.308 8.792 1
1 340 . 17 1 1 A 29 29 VAL H H 29 8.550 8.577 -0.027 1
1 341 . 17 1 1 A 29 29 VAL HA H 29 4.180 4.562 -0.382 1
1 349 . 17 1 1 A 29 29 VAL C C 29 176.000 176.052 -0.052 1
1 350 . 17 1 1 A 29 29 VAL CA C 29 61.500 61.391 0.109 1
1 351 . 17 1 1 A 29 29 VAL CB C 29 32.300 32.682 -0.382 1
1 354 . 17 1 1 A 29 29 VAL N N 29 123.500 126.360 -2.860 1
1 355 . 17 1 1 A 30 30 THR H H 30 9.720 9.006 0.714 1
1 356 . 17 1 1 A 30 30 THR HA H 30 5.010 4.933 0.077 1
1 361 . 17 1 1 A 30 30 THR CA C 30 60.800 59.560 1.240 1
1 362 . 17 1 1 A 30 30 THR CB C 30 68.700 70.042 -1.342 1
1 364 . 17 1 1 A 30 30 THR N N 30 122.300 120.156 2.144 1
1 365 . 17 1 1 A 31 31 PRO HA H 31 4.510 4.549 -0.039 1
1 372 . 17 1 1 A 31 31 PRO C C 31 176.400 177.190 -0.790 1
1 373 . 17 1 1 A 31 31 PRO CA C 31 65.200 64.191 1.009 1
1 374 . 17 1 1 A 31 31 PRO CB C 31 32.600 31.510 1.090 1
1 377 . 17 1 1 A 32 32 VAL H H 32 6.830 7.418 -0.588 1
1 378 . 17 1 1 A 32 32 VAL HA H 32 4.450 4.224 0.226 1
1 386 . 17 1 1 A 32 32 VAL C C 32 175.700 175.551 0.149 1
1 387 . 17 1 1 A 32 32 VAL CA C 32 60.600 62.695 -2.095 1
1 388 . 17 1 1 A 32 32 VAL CB C 32 31.200 32.456 -1.256 1
1 391 . 17 1 1 A 32 32 VAL N N 32 105.600 115.988 -10.388 1
1 392 . 17 1 1 A 33 33 ASP H H 33 7.800 7.945 -0.145 1
1 393 . 17 1 1 A 33 33 ASP HA H 33 4.910 4.822 0.088 1
1 396 . 17 1 1 A 33 33 ASP C C 33 174.900 175.189 -0.289 1
1 397 . 17 1 1 A 33 33 ASP CA C 33 55.100 53.725 1.375 1
1 398 . 17 1 1 A 33 33 ASP CB C 33 43.900 41.708 2.192 1
1 399 . 17 1 1 A 33 33 ASP N N 33 122.100 121.279 0.821 1
1 400 . 17 1 1 A 34 34 ASP H H 34 8.810 8.999 -0.189 1
1 401 . 17 1 1 A 34 34 ASP HA H 34 5.060 4.978 0.082 1
1 404 . 17 1 1 A 34 34 ASP C C 34 176.500 175.404 1.096 1
1 405 . 17 1 1 A 34 34 ASP CA C 34 53.700 54.476 -0.776 1
1 406 . 17 1 1 A 34 34 ASP CB C 34 41.600 42.014 -0.414 1
1 407 . 17 1 1 A 34 34 ASP N N 34 121.800 126.717 -4.917 1
1 408 . 17 1 1 A 35 35 TYR H H 35 8.570 8.499 0.071 1
1 409 . 17 1 1 A 35 35 TYR HA H 35 5.220 5.320 -0.100 1
1 416 . 17 1 1 A 35 35 TYR C C 35 171.800 172.965 -1.165 1
1 417 . 17 1 1 A 35 35 TYR CA C 35 56.300 56.232 0.068 1
1 418 . 17 1 1 A 35 35 TYR CB C 35 40.700 40.974 -0.274 1
1 423 . 17 1 1 A 35 35 TYR N N 35 117.900 120.564 -2.664 1
1 424 . 17 1 1 A 36 36 VAL H H 36 9.340 8.624 0.716 1
1 425 . 17 1 1 A 36 36 VAL HA H 36 4.660 4.655 0.005 1
1 433 . 17 1 1 A 36 36 VAL C C 36 173.300 174.860 -1.560 1
1 434 . 17 1 1 A 36 36 VAL CA C 36 59.300 60.183 -0.883 1
1 435 . 17 1 1 A 36 36 VAL CB C 36 35.100 35.786 -0.686 1
1 438 . 17 1 1 A 36 36 VAL N N 36 120.700 119.250 1.450 1
1 439 . 17 1 1 A 37 37 ILE H H 37 8.820 8.744 0.076 1
1 440 . 17 1 1 A 37 37 ILE HA H 37 4.820 4.911 -0.091 1
1 450 . 17 1 1 A 37 37 ILE C C 37 175.500 173.824 1.676 1
1 451 . 17 1 1 A 37 37 ILE CA C 37 59.700 59.858 -0.158 1
1 452 . 17 1 1 A 37 37 ILE CB C 37 40.600 38.602 1.998 1
1 456 . 17 1 1 A 37 37 ILE N N 37 124.100 126.840 -2.740 1
1 457 . 17 1 1 A 38 38 ASP H H 38 8.280 8.980 -0.700 1
1 458 . 17 1 1 A 38 38 ASP HA H 38 4.430 4.777 -0.347 1
1 461 . 17 1 1 A 38 38 ASP C C 38 177.000 175.783 1.217 1
1 462 . 17 1 1 A 38 38 ASP CA C 38 51.400 52.258 -0.858 1
1 463 . 17 1 1 A 38 38 ASP CB C 38 41.200 41.657 -0.457 1
1 464 . 17 1 1 A 38 38 ASP N N 38 126.600 127.514 -0.914 1
1 465 . 17 1 1 A 39 39 GLY H H 39 8.910 8.705 0.205 1
1 466 . 17 1 1 A 39 39 GLY HA2 H 39 3.640 3.724 -0.084 1
1 467 . 17 1 1 A 39 39 GLY HA3 H 39 3.850 3.750 0.100 1
1 468 . 17 1 1 A 39 39 GLY C C 39 174.500 175.386 -0.886 1
1 469 . 17 1 1 A 39 39 GLY CA C 39 47.600 46.071 1.529 1
1 470 . 17 1 1 A 39 39 GLY N N 39 114.900 113.705 1.195 1
1 471 . 17 1 1 A 40 40 GLY H H 40 8.220 8.641 -0.421 1
1 472 . 17 1 1 A 40 40 GLY HA2 H 40 3.900 3.933 -0.033 1
1 473 . 17 1 1 A 40 40 GLY HA3 H 40 3.900 3.937 -0.037 1
1 474 . 17 1 1 A 40 40 GLY C C 40 173.900 173.876 0.024 1
1 475 . 17 1 1 A 40 40 GLY CA C 40 45.000 45.212 -0.212 1
1 476 . 17 1 1 A 40 40 GLY N N 40 112.200 107.204 4.996 1
1 477 . 17 1 1 A 41 41 GLU H H 41 7.770 7.484 0.286 1
1 478 . 17 1 1 A 41 41 GLU HA H 41 4.750 4.639 0.111 1
1 483 . 17 1 1 A 41 41 GLU C C 41 174.800 176.144 -1.344 1
1 484 . 17 1 1 A 41 41 GLU CA C 41 54.300 55.448 -1.148 1
1 485 . 17 1 1 A 41 41 GLU CB C 41 30.300 31.356 -1.056 1
1 487 . 17 1 1 A 41 41 GLU N N 41 120.200 119.853 0.347 1
1 488 . 17 1 1 A 42 42 ILE H H 42 8.720 8.617 0.103 1
1 489 . 17 1 1 A 42 42 ILE HA H 42 4.780 4.817 -0.037 1
1 499 . 17 1 1 A 42 42 ILE C C 42 174.800 175.189 -0.389 1
1 500 . 17 1 1 A 42 42 ILE CA C 42 59.200 61.018 -1.818 1
1 501 . 17 1 1 A 42 42 ILE CB C 42 40.300 38.665 1.635 1
1 505 . 17 1 1 A 42 42 ILE N N 42 122.000 123.802 -1.802 1
1 506 . 17 1 1 A 43 43 ILE H H 43 9.230 8.822 0.408 1
1 507 . 17 1 1 A 43 43 ILE HA H 43 4.480 4.742 -0.262 1
1 517 . 17 1 1 A 43 43 ILE C C 43 176.400 175.111 1.289 1
1 518 . 17 1 1 A 43 43 ILE CA C 43 61.000 60.348 0.652 1
1 519 . 17 1 1 A 43 43 ILE CB C 43 42.300 41.813 0.487 1
1 523 . 17 1 1 A 43 43 ILE N N 43 126.400 127.080 -0.680 1
1 524 . 17 1 1 A 44 44 LEU H H 44 10.930 8.760 2.170 1
1 525 . 17 1 1 A 44 44 LEU HA H 44 4.280 4.403 -0.123 1
1 535 . 17 1 1 A 44 44 LEU C C 44 179.300 178.371 0.929 1
1 536 . 17 1 1 A 44 44 LEU CA C 44 56.500 55.745 0.755 1
1 537 . 17 1 1 A 44 44 LEU CB C 44 42.600 43.769 -1.169 1
1 541 . 17 1 1 A 44 44 LEU N N 44 130.900 129.088 1.812 1
1 542 . 17 1 1 A 45 45 ARG H H 45 8.610 9.299 -0.689 1
1 543 . 17 1 1 A 45 45 ARG HA H 45 3.890 4.187 -0.297 1
1 551 . 17 1 1 A 45 45 ARG C C 45 179.300 178.236 1.064 1
1 552 . 17 1 1 A 45 45 ARG CA C 45 60.200 58.719 1.481 1
1 553 . 17 1 1 A 45 45 ARG CB C 45 29.400 30.015 -0.615 1
1 556 . 17 1 1 A 45 45 ARG N N 45 125.400 126.928 -1.528 1
1 558 . 17 1 1 A 46 46 GLU H H 46 9.020 8.007 1.013 1
1 559 . 17 1 1 A 46 46 GLU HA H 46 4.210 4.148 0.062 1
1 564 . 17 1 1 A 46 46 GLU C C 46 176.700 178.550 -1.850 1
1 565 . 17 1 1 A 46 46 GLU CA C 46 59.000 58.710 0.290 1
1 566 . 17 1 1 A 46 46 GLU CB C 46 29.600 30.185 -0.585 1
1 568 . 17 1 1 A 46 46 GLU N N 46 117.500 120.195 -2.695 1
1 569 . 17 1 1 A 47 47 ASN H H 47 7.870 8.352 -0.482 1
1 570 . 17 1 1 A 47 47 ASN HA H 47 5.100 4.579 0.521 1
1 573 . 17 1 1 A 47 47 ASN C C 47 175.200 176.941 -1.741 1
1 574 . 17 1 1 A 47 47 ASN CA C 47 52.800 53.229 -0.429 1
1 575 . 17 1 1 A 47 47 ASN CB C 47 40.500 37.925 2.575 1
1 576 . 17 1 1 A 47 47 ASN N N 47 115.900 115.439 0.461 1
1 577 . 17 1 1 A 48 48 LEU H H 48 7.760 7.680 0.080 1
1 578 . 17 1 1 A 48 48 LEU HA H 48 4.060 4.132 -0.072 1
1 588 . 17 1 1 A 48 48 LEU C C 48 177.200 178.251 -1.051 1
1 589 . 17 1 1 A 48 48 LEU CA C 48 59.000 57.771 1.229 1
1 590 . 17 1 1 A 48 48 LEU CB C 48 42.800 41.951 0.849 1
1 594 . 17 1 1 A 48 48 LEU N N 48 122.300 122.252 0.048 1
1 595 . 17 1 1 A 49 49 GLU H H 49 8.770 8.335 0.435 1
1 596 . 17 1 1 A 49 49 GLU HA H 49 3.670 3.970 -0.300 1
1 601 . 17 1 1 A 49 49 GLU C C 49 176.200 179.144 -2.944 1
1 602 . 17 1 1 A 49 49 GLU CA C 49 61.300 60.130 1.170 1
1 603 . 17 1 1 A 49 49 GLU CB C 49 28.200 29.760 -1.560 1
1 605 . 17 1 1 A 49 49 GLU N N 49 118.800 119.304 -0.504 1
1 606 . 17 1 1 A 50 50 ARG H H 50 8.000 8.284 -0.284 1
1 607 . 17 1 1 A 50 50 ARG HA H 50 3.860 4.095 -0.235 1
1 615 . 17 1 1 A 50 50 ARG C C 50 174.100 178.770 -4.670 1
1 616 . 17 1 1 A 50 50 ARG CA C 50 60.100 59.028 1.072 1
1 617 . 17 1 1 A 50 50 ARG CB C 50 29.900 30.096 -0.196 1
1 620 . 17 1 1 A 50 50 ARG N N 50 119.100 120.266 -1.166 1
1 622 . 17 1 1 A 51 51 TYR H H 51 8.250 8.349 -0.099 1
1 623 . 17 1 1 A 51 51 TYR HA H 51 4.610 4.161 0.449 1
1 630 . 17 1 1 A 51 51 TYR C C 51 178.500 177.285 1.215 1
1 631 . 17 1 1 A 51 51 TYR CA C 51 61.700 61.370 0.330 1
1 632 . 17 1 1 A 51 51 TYR CB C 51 40.000 38.383 1.617 1
1 637 . 17 1 1 A 51 51 TYR N N 51 120.400 120.840 -0.440 1
1 638 . 17 1 1 A 52 52 LEU H H 52 9.030 8.373 0.657 1
1 639 . 17 1 1 A 52 52 LEU HA H 52 3.690 3.921 -0.231 1
1 649 . 17 1 1 A 52 52 LEU C C 52 180.000 178.961 1.039 1
1 650 . 17 1 1 A 52 52 LEU CA C 52 57.600 57.382 0.218 1
1 651 . 17 1 1 A 52 52 LEU CB C 52 40.800 41.245 -0.445 1
1 655 . 17 1 1 A 52 52 LEU N N 52 118.300 119.144 -0.844 1
1 656 . 17 1 1 A 53 53 ARG H H 53 8.530 7.933 0.597 1
1 657 . 17 1 1 A 53 53 ARG HA H 53 4.820 4.045 0.775 1
1 665 . 17 1 1 A 53 53 ARG C C 53 179.100 178.241 0.859 1
1 666 . 17 1 1 A 53 53 ARG CA C 53 59.300 59.251 0.049 1
1 667 . 17 1 1 A 53 53 ARG CB C 53 31.900 29.596 2.304 1
1 670 . 17 1 1 A 53 53 ARG N N 53 119.400 120.981 -1.581 1
1 672 . 17 1 1 A 54 54 GLU H H 54 9.090 7.915 1.175 1
1 673 . 17 1 1 A 54 54 GLU HA H 54 4.100 4.255 -0.155 1
1 678 . 17 1 1 A 54 54 GLU C C 54 178.700 178.333 0.367 1
1 679 . 17 1 1 A 54 54 GLU CA C 54 59.300 58.810 0.490 1
1 680 . 17 1 1 A 54 54 GLU CB C 54 31.000 30.580 0.420 1
1 682 . 17 1 1 A 54 54 GLU N N 54 116.700 118.923 -2.223 1
1 683 . 17 1 1 A 55 55 GLN H H 55 8.760 7.823 0.937 1
1 684 . 17 1 1 A 55 55 GLN HA H 55 4.290 4.387 -0.097 1
1 691 . 17 1 1 A 55 55 GLN C C 55 177.700 176.727 0.973 1
1 692 . 17 1 1 A 55 55 GLN CA C 55 55.800 55.375 0.425 1
1 693 . 17 1 1 A 55 55 GLN CB C 55 28.000 28.880 -0.880 1
1 695 . 17 1 1 A 55 55 GLN N N 55 113.900 116.189 -2.289 1
1 697 . 17 1 1 A 56 56 LEU H H 56 6.650 7.885 -1.235 1
1 698 . 17 1 1 A 56 56 LEU HA H 56 4.700 4.301 0.399 1
1 708 . 17 1 1 A 56 56 LEU C C 56 178.000 175.766 2.234 1
1 709 . 17 1 1 A 56 56 LEU CA C 56 55.300 55.916 -0.616 1
1 710 . 17 1 1 A 56 56 LEU CB C 56 43.800 41.269 2.531 1
1 714 . 17 1 1 A 56 56 LEU N N 56 116.200 120.587 -4.387 1
1 715 . 17 1 1 A 57 57 GLY H H 57 7.160 8.148 -0.988 1
1 716 . 17 1 1 A 57 57 GLY HA2 H 57 4.070 3.277 0.793 1
1 717 . 17 1 1 A 57 57 GLY HA3 H 57 4.070 3.504 0.566 1
1 718 . 17 1 1 A 57 57 GLY C C 57 175.000 173.085 1.915 1
1 719 . 17 1 1 A 57 57 GLY CA C 57 46.900 44.938 1.962 1
1 720 . 17 1 1 A 57 57 GLY N N 57 109.000 104.656 4.344 1
1 721 . 17 1 1 A 58 58 PHE H H 58 8.480 7.265 1.215 1
1 722 . 17 1 1 A 58 58 PHE HA H 58 4.690 4.683 0.007 1
1 730 . 17 1 1 A 58 58 PHE C C 58 175.700 174.542 1.158 1
1 731 . 17 1 1 A 58 58 PHE CA C 58 57.900 56.889 1.011 1
1 732 . 17 1 1 A 58 58 PHE CB C 58 39.500 41.629 -2.129 1
1 738 . 17 1 1 A 58 58 PHE N N 58 123.100 117.858 5.242 1
1 739 . 17 1 1 A 59 59 GLU H H 59 8.440 8.752 -0.312 1
1 740 . 17 1 1 A 59 59 GLU HA H 59 4.820 4.619 0.201 1
1 745 . 17 1 1 A 59 59 GLU C C 59 174.700 175.260 -0.560 1
1 746 . 17 1 1 A 59 59 GLU CA C 59 54.600 55.706 -1.106 1
1 747 . 17 1 1 A 59 59 GLU CB C 59 32.800 29.966 2.834 1
1 749 . 17 1 1 A 59 59 GLU N N 59 118.600 122.399 -3.799 1
1 750 . 17 1 1 A 60 60 PHE H H 60 9.110 9.136 -0.026 1
1 751 . 17 1 1 A 60 60 PHE HA H 60 4.470 4.896 -0.426 1
1 759 . 17 1 1 A 60 60 PHE C C 60 175.100 175.248 -0.148 1
1 760 . 17 1 1 A 60 60 PHE CA C 60 58.100 57.877 0.223 1
1 761 . 17 1 1 A 60 60 PHE CB C 60 39.900 39.015 0.885 1
1 767 . 17 1 1 A 60 60 PHE N N 60 124.300 125.461 -1.161 1
1 768 . 17 1 1 A 61 61 LYS H H 61 8.510 9.011 -0.501 1
1 769 . 17 1 1 A 61 61 LYS HA H 61 4.360 4.755 -0.395 1
1 778 . 17 1 1 A 61 61 LYS C C 61 174.700 175.508 -0.808 1
1 779 . 17 1 1 A 61 61 LYS CA C 61 53.800 55.009 -1.209 1
1 780 . 17 1 1 A 61 61 LYS CB C 61 31.300 32.647 -1.347 1
1 784 . 17 1 1 A 61 61 LYS N N 61 124.900 124.767 0.133 1
1 785 . 17 1 1 A 62 62 ASN H H 62 8.400 8.425 -0.025 1
1 786 . 17 1 1 A 62 62 ASN HA H 62 4.910 4.880 0.030 1
1 789 . 17 1 1 A 62 62 ASN C C 62 175.500 175.377 0.123 1
1 790 . 17 1 1 A 62 62 ASN CA C 62 52.400 52.813 -0.413 1
1 791 . 17 1 1 A 62 62 ASN CB C 62 39.400 39.638 -0.238 1
1 792 . 17 1 1 A 62 62 ASN N N 62 121.800 122.452 -0.652 1
1 793 . 17 1 1 A 63 63 ALA H H 63 8.960 8.694 0.266 1
1 794 . 17 1 1 A 63 63 ALA HA H 63 4.170 4.270 -0.100 1
1 798 . 17 1 1 A 63 63 ALA C C 63 178.200 176.503 1.697 1
1 799 . 17 1 1 A 63 63 ALA CA C 63 53.300 51.849 1.451 1
1 800 . 17 1 1 A 63 63 ALA CB C 63 19.300 17.698 1.602 1
1 801 . 17 1 1 A 63 63 ALA N N 63 126.200 125.519 0.681 1
1 802 . 17 1 1 A 64 64 GLN H H 64 8.570 8.484 0.086 1
1 803 . 17 1 1 A 64 64 GLN HA H 64 4.280 4.392 -0.112 1
1 810 . 17 1 1 A 64 64 GLN C C 64 176.200 176.405 -0.205 1
1 811 . 17 1 1 A 64 64 GLN CA C 64 56.300 55.139 1.161 1
1 812 . 17 1 1 A 64 64 GLN CB C 64 29.400 28.258 1.142 1
1 814 . 17 1 1 A 64 64 GLN N N 64 119.900 123.500 -3.600 1
1 816 . 17 1 1 A 65 65 LEU H H 65 8.080 8.182 -0.102 1
1 817 . 17 1 1 A 65 65 LEU HA H 65 4.320 3.868 0.452 1
1 827 . 17 1 1 A 65 65 LEU C C 65 177.200 177.194 0.006 1
1 828 . 17 1 1 A 65 65 LEU CA C 65 55.300 58.046 -2.746 1
1 829 . 17 1 1 A 65 65 LEU CB C 65 42.700 41.907 0.793 1
1 833 . 17 1 1 A 65 65 LEU N N 65 121.700 126.580 -4.880 1
1 834 . 17 1 1 A 66 66 GLU H H 66 8.290 8.113 0.177 1
1 835 . 17 1 1 A 66 66 GLU HA H 66 4.190 3.844 0.346 1
1 840 . 17 1 1 A 66 66 GLU C C 66 176.300 174.624 1.676 1
1 841 . 17 1 1 A 66 66 GLU CA C 66 56.800 57.843 -1.043 1
1 842 . 17 1 1 A 66 66 GLU CB C 66 30.400 27.875 2.525 1
1 844 . 17 1 1 A 66 66 GLU N N 66 120.400 116.303 4.097 1
1 845 . 17 1 1 A 67 67 HIS H H 67 8.280 8.010 0.270 1
1 846 . 17 1 1 A 67 67 HIS HA H 67 4.620 4.841 -0.221 1
1 850 . 17 1 1 A 67 67 HIS C C 67 173.900 175.463 -1.563 1
1 851 . 17 1 1 A 67 67 HIS CA C 67 55.900 53.989 1.911 1
1 852 . 17 1 1 A 67 67 HIS CB C 67 30.100 32.300 -2.200 1
1 854 . 17 1 1 A 67 67 HIS N N 67 119.300 117.690 1.610 1
1 855 . 17 1 1 A 68 68 HIS H H 68 8.180 8.958 -0.778 1
1 856 . 17 1 1 A 68 68 HIS HA H 68 4.440 4.393 0.047 1
1 859 . 17 1 1 A 68 68 HIS CA C 68 57.300 57.631 -0.331 1
1 860 . 17 1 1 A 68 68 HIS CB C 68 30.200 29.540 0.660 1
1 861 . 17 1 1 A 68 68 HIS N N 68 125.300 120.737 4.563 1
1 2 . 18 1 1 A 2 2 VAL H H 2 8.100 7.548 0.552 1
1 3 . 18 1 1 A 2 2 VAL HA H 2 4.090 3.889 0.201 1
1 5 . 18 1 1 A 2 2 VAL C C 2 176.500 177.134 -0.634 1
1 6 . 18 1 1 A 2 2 VAL CA C 2 62.300 64.709 -2.409 1
1 7 . 18 1 1 A 2 2 VAL CB C 2 32.700 32.513 0.187 1
1 8 . 18 1 1 A 2 2 VAL N N 2 124.800 118.394 6.406 1
1 9 . 18 1 1 A 3 3 GLU H H 3 8.500 7.899 0.601 1
1 10 . 18 1 1 A 3 3 GLU HA H 3 4.280 4.403 -0.123 1
1 15 . 18 1 1 A 3 3 GLU C C 3 175.900 175.992 -0.092 1
1 16 . 18 1 1 A 3 3 GLU CA C 3 56.500 56.244 0.256 1
1 17 . 18 1 1 A 3 3 GLU CB C 3 30.400 29.329 1.071 1
1 19 . 18 1 1 A 3 3 GLU N N 3 124.200 118.389 5.811 1
1 20 . 18 1 1 A 4 4 ASN H H 4 8.500 8.114 0.386 1
1 21 . 18 1 1 A 4 4 ASN HA H 4 4.970 4.718 0.252 1
1 26 . 18 1 1 A 4 4 ASN CA C 4 51.200 53.983 -2.783 1
1 27 . 18 1 1 A 4 4 ASN CB C 4 39.000 37.296 1.704 1
1 28 . 18 1 1 A 4 4 ASN N N 4 120.700 116.909 3.791 1
1 30 . 18 1 1 A 5 5 PRO HA H 5 4.390 4.526 -0.136 1
1 37 . 18 1 1 A 5 5 PRO C C 5 176.800 176.078 0.722 1
1 38 . 18 1 1 A 5 5 PRO CA C 5 63.500 63.153 0.347 1
1 39 . 18 1 1 A 5 5 PRO CB C 5 32.200 31.671 0.529 1
1 42 . 18 1 1 A 6 6 MET H H 6 8.300 8.761 -0.461 1
1 43 . 18 1 1 A 6 6 MET HA H 6 4.400 4.628 -0.228 1
1 51 . 18 1 1 A 6 6 MET C C 6 176.200 176.496 -0.296 1
1 52 . 18 1 1 A 6 6 MET CA C 6 55.800 53.871 1.929 1
1 53 . 18 1 1 A 6 6 MET CB C 6 32.600 31.310 1.290 1
1 56 . 18 1 1 A 6 6 MET N N 6 119.400 122.764 -3.364 1
1 57 . 18 1 1 A 7 7 VAL H H 7 7.980 8.468 -0.488 1
1 58 . 18 1 1 A 7 7 VAL HA H 7 4.080 4.378 -0.298 1
1 66 . 18 1 1 A 7 7 VAL C C 7 175.800 175.776 0.024 1
1 67 . 18 1 1 A 7 7 VAL CA C 7 62.400 61.909 0.491 1
1 68 . 18 1 1 A 7 7 VAL CB C 7 32.800 32.939 -0.139 1
1 71 . 18 1 1 A 7 7 VAL N N 7 121.500 118.650 2.850 1
1 72 . 18 1 1 A 8 8 ILE H H 8 8.140 7.661 0.479 1
1 73 . 18 1 1 A 8 8 ILE HA H 8 4.120 4.324 -0.204 1
1 83 . 18 1 1 A 8 8 ILE C C 8 175.800 175.940 -0.140 1
1 84 . 18 1 1 A 8 8 ILE CA C 8 60.900 61.318 -0.418 1
1 85 . 18 1 1 A 8 8 ILE CB C 8 38.600 36.434 2.166 1
1 89 . 18 1 1 A 8 8 ILE N N 8 124.500 124.568 -0.068 1
1 90 . 18 1 1 A 9 9 ASN H H 9 8.450 8.531 -0.081 1
1 91 . 18 1 1 A 9 9 ASN HA H 9 4.630 4.556 0.074 1
1 96 . 18 1 1 A 9 9 ASN C C 9 174.700 177.016 -2.316 1
1 97 . 18 1 1 A 9 9 ASN CA C 9 53.200 54.493 -1.293 1
1 98 . 18 1 1 A 9 9 ASN CB C 9 39.000 38.876 0.124 1
1 99 . 18 1 1 A 9 9 ASN N N 9 122.700 126.894 -4.194 1
1 101 . 18 1 1 A 10 10 ASN H H 10 8.320 7.889 0.431 1
1 102 . 18 1 1 A 10 10 ASN HA H 10 4.680 4.611 0.069 1
1 107 . 18 1 1 A 10 10 ASN C C 10 175.000 175.140 -0.140 1
1 108 . 18 1 1 A 10 10 ASN CA C 10 53.100 53.803 -0.703 1
1 109 . 18 1 1 A 10 10 ASN CB C 10 38.700 38.790 -0.090 1
1 110 . 18 1 1 A 10 10 ASN N N 10 119.600 114.848 4.752 1
1 112 . 18 1 1 A 11 11 TRP H H 11 8.060 7.807 0.253 1
1 113 . 18 1 1 A 11 11 TRP HA H 11 4.550 4.495 0.055 1
1 122 . 18 1 1 A 11 11 TRP C C 11 176.200 176.161 0.039 1
1 123 . 18 1 1 A 11 11 TRP CA C 11 57.800 57.973 -0.173 1
1 124 . 18 1 1 A 11 11 TRP CB C 11 29.300 28.119 1.181 1
1 130 . 18 1 1 A 11 11 TRP N N 11 121.200 118.540 2.660 1
1 132 . 18 1 1 A 12 12 HIS H H 12 7.980 8.543 -0.563 1
1 133 . 18 1 1 A 12 12 HIS HA H 12 4.410 4.751 -0.341 1
1 137 . 18 1 1 A 12 12 HIS C C 12 174.400 174.566 -0.166 1
1 138 . 18 1 1 A 12 12 HIS CA C 12 56.200 57.274 -1.074 1
1 139 . 18 1 1 A 12 12 HIS CB C 12 29.600 31.310 -1.710 1
1 141 . 18 1 1 A 12 12 HIS N N 12 119.900 124.891 -4.991 1
1 142 . 18 1 1 A 13 13 ASP H H 13 8.130 7.912 0.218 1
1 143 . 18 1 1 A 13 13 ASP HA H 13 4.470 4.563 -0.093 1
1 146 . 18 1 1 A 13 13 ASP C C 13 176.100 176.245 -0.145 1
1 147 . 18 1 1 A 13 13 ASP CA C 13 54.700 54.366 0.334 1
1 148 . 18 1 1 A 13 13 ASP CB C 13 41.100 41.322 -0.222 1
1 149 . 18 1 1 A 13 13 ASP N N 13 120.600 120.218 0.382 1
1 150 . 18 1 1 A 14 14 LYS H H 14 8.150 8.460 -0.310 1
1 151 . 18 1 1 A 14 14 LYS HA H 14 4.270 4.322 -0.052 1
1 160 . 18 1 1 A 14 14 LYS C C 14 176.600 176.383 0.217 1
1 161 . 18 1 1 A 14 14 LYS CA C 14 56.500 56.489 0.011 1
1 162 . 18 1 1 A 14 14 LYS CB C 14 32.900 32.741 0.159 1
1 166 . 18 1 1 A 14 14 LYS N N 14 120.900 124.072 -3.172 1
1 167 . 18 1 1 A 15 15 LEU H H 15 8.220 8.772 -0.552 1
1 168 . 18 1 1 A 15 15 LEU HA H 15 4.360 4.297 0.063 1
1 178 . 18 1 1 A 15 15 LEU C C 15 177.600 176.126 1.474 1
1 179 . 18 1 1 A 15 15 LEU CA C 15 55.600 54.019 1.581 1
1 180 . 18 1 1 A 15 15 LEU CB C 15 42.200 40.982 1.218 1
1 184 . 18 1 1 A 15 15 LEU N N 15 122.500 125.646 -3.146 1
1 185 . 18 1 1 A 16 16 THR H H 16 8.090 7.923 0.167 1
1 186 . 18 1 1 A 16 16 THR HA H 16 4.340 4.275 0.065 1
1 191 . 18 1 1 A 16 16 THR C C 16 174.700 174.767 -0.067 1
1 192 . 18 1 1 A 16 16 THR CA C 16 61.700 62.045 -0.345 1
1 193 . 18 1 1 A 16 16 THR CB C 16 70.000 68.831 1.169 1
1 195 . 18 1 1 A 16 16 THR N N 16 113.800 112.155 1.645 1
1 196 . 18 1 1 A 17 17 GLU H H 17 8.400 8.620 -0.220 1
1 197 . 18 1 1 A 17 17 GLU HA H 17 4.330 4.437 -0.107 1
1 202 . 18 1 1 A 17 17 GLU C C 17 176.500 176.354 0.146 1
1 203 . 18 1 1 A 17 17 GLU CA C 17 56.900 55.928 0.972 1
1 204 . 18 1 1 A 17 17 GLU CB C 17 30.200 29.642 0.558 1
1 206 . 18 1 1 A 17 17 GLU N N 17 122.700 120.495 2.205 1
1 207 . 18 1 1 A 18 18 THR H H 18 8.040 8.330 -0.290 1
1 208 . 18 1 1 A 18 18 THR HA H 18 4.350 3.949 0.401 1
1 213 . 18 1 1 A 18 18 THR C C 18 174.000 173.646 0.354 1
1 214 . 18 1 1 A 18 18 THR CA C 18 61.700 65.012 -3.312 1
1 215 . 18 1 1 A 18 18 THR CB C 18 69.800 67.353 2.447 1
1 217 . 18 1 1 A 18 18 THR N N 18 113.600 110.308 3.292 1
1 218 . 18 1 1 A 19 19 ASP H H 19 8.290 8.308 -0.018 1
1 219 . 18 1 1 A 19 19 ASP HA H 19 4.640 4.829 -0.189 1
1 222 . 18 1 1 A 19 19 ASP C C 19 175.500 175.434 0.066 1
1 223 . 18 1 1 A 19 19 ASP CA C 19 54.500 53.262 1.238 1
1 224 . 18 1 1 A 19 19 ASP CB C 19 41.200 42.231 -1.031 1
1 225 . 18 1 1 A 19 19 ASP N N 19 122.900 122.068 0.832 1
1 226 . 18 1 1 A 20 20 VAL H H 20 7.900 7.355 0.545 1
1 227 . 18 1 1 A 20 20 VAL HA H 20 4.200 4.068 0.132 1
1 235 . 18 1 1 A 20 20 VAL C C 20 175.400 174.780 0.620 1
1 236 . 18 1 1 A 20 20 VAL CA C 20 61.900 62.345 -0.445 1
1 237 . 18 1 1 A 20 20 VAL CB C 20 33.500 30.987 2.513 1
1 240 . 18 1 1 A 20 20 VAL N N 20 119.900 120.683 -0.783 1
1 241 . 18 1 1 A 21 21 GLN H H 21 8.490 8.666 -0.176 1
1 242 . 18 1 1 A 21 21 GLN HA H 21 4.510 4.977 -0.467 1
1 249 . 18 1 1 A 21 21 GLN C C 21 173.800 174.376 -0.576 1
1 250 . 18 1 1 A 21 21 GLN CA C 21 54.700 53.061 1.639 1
1 251 . 18 1 1 A 21 21 GLN CB C 21 31.600 32.314 -0.714 1
1 253 . 18 1 1 A 21 21 GLN N N 21 124.800 123.599 1.201 1
1 255 . 18 1 1 A 22 22 ILE H H 22 8.070 8.591 -0.521 1
1 256 . 18 1 1 A 22 22 ILE HA H 22 4.820 4.908 -0.088 1
1 266 . 18 1 1 A 22 22 ILE C C 22 175.500 175.547 -0.047 1
1 267 . 18 1 1 A 22 22 ILE CA C 22 58.700 59.445 -0.745 1
1 268 . 18 1 1 A 22 22 ILE CB C 22 39.800 41.061 -1.261 1
1 272 . 18 1 1 A 22 22 ILE N N 22 120.500 122.012 -1.512 1
1 273 . 18 1 1 A 23 23 ASP H H 23 9.340 8.534 0.806 1
1 274 . 18 1 1 A 23 23 ASP HA H 23 4.570 4.930 -0.360 1
1 277 . 18 1 1 A 23 23 ASP C C 23 178.600 176.456 2.144 1
1 278 . 18 1 1 A 23 23 ASP CA C 23 51.700 52.649 -0.949 1
1 279 . 18 1 1 A 23 23 ASP CB C 23 42.900 41.365 1.535 1
1 280 . 18 1 1 A 23 23 ASP N N 23 128.000 124.576 3.424 1
1 281 . 18 1 1 A 24 24 PHE H H 24 8.860 8.942 -0.082 1
1 282 . 18 1 1 A 24 24 PHE HA H 24 3.960 4.260 -0.300 1
1 290 . 18 1 1 A 24 24 PHE C C 24 175.800 177.294 -1.494 1
1 291 . 18 1 1 A 24 24 PHE CA C 24 61.600 60.087 1.513 1
1 292 . 18 1 1 A 24 24 PHE CB C 24 41.800 39.630 2.170 1
1 298 . 18 1 1 A 24 24 PHE N N 24 118.500 119.406 -0.906 1
1 299 . 18 1 1 A 25 25 TYR H H 25 8.340 8.082 0.258 1
1 300 . 18 1 1 A 25 25 TYR HA H 25 4.400 4.413 -0.013 1
1 307 . 18 1 1 A 25 25 TYR C C 25 175.700 176.026 -0.326 1
1 308 . 18 1 1 A 25 25 TYR CA C 25 59.200 60.098 -0.898 1
1 309 . 18 1 1 A 25 25 TYR CB C 25 38.700 39.114 -0.414 1
1 314 . 18 1 1 A 25 25 TYR N N 25 114.500 115.498 -0.998 1
1 315 . 18 1 1 A 26 26 GLY H H 26 8.460 7.736 0.724 1
1 316 . 18 1 1 A 26 26 GLY HA2 H 26 4.230 3.975 0.255 1
1 317 . 18 1 1 A 26 26 GLY HA3 H 26 3.500 3.993 -0.493 1
1 318 . 18 1 1 A 26 26 GLY C C 26 174.700 173.985 0.715 1
1 319 . 18 1 1 A 26 26 GLY CA C 26 45.200 46.102 -0.902 1
1 320 . 18 1 1 A 26 26 GLY N N 26 109.700 107.560 2.140 1
1 321 . 18 1 1 A 27 27 ASP H H 27 8.400 7.536 0.864 1
1 322 . 18 1 1 A 27 27 ASP HA H 27 4.330 4.925 -0.595 1
1 325 . 18 1 1 A 27 27 ASP C C 27 175.700 175.471 0.229 1
1 326 . 18 1 1 A 27 27 ASP CA C 27 56.700 55.473 1.227 1
1 327 . 18 1 1 A 27 27 ASP CB C 27 30.300 42.005 -11.705 1
1 328 . 18 1 1 A 27 27 ASP N N 27 122.700 120.562 2.138 1
1 329 . 18 1 1 A 28 28 GLU H H 28 7.960 7.674 0.286 1
1 330 . 18 1 1 A 28 28 GLU HA H 28 4.280 4.571 -0.291 1
1 335 . 18 1 1 A 28 28 GLU C C 28 175.200 173.901 1.299 1
1 336 . 18 1 1 A 28 28 GLU CA C 28 57.400 56.212 1.188 1
1 337 . 18 1 1 A 28 28 GLU CB C 28 30.500 33.518 -3.018 1
1 339 . 18 1 1 A 28 28 GLU N N 28 126.100 117.378 8.722 1
1 340 . 18 1 1 A 29 29 VAL H H 29 8.550 8.820 -0.270 1
1 341 . 18 1 1 A 29 29 VAL HA H 29 4.180 4.745 -0.565 1
1 349 . 18 1 1 A 29 29 VAL C C 29 176.000 175.182 0.818 1
1 350 . 18 1 1 A 29 29 VAL CA C 29 61.500 61.092 0.408 1
1 351 . 18 1 1 A 29 29 VAL CB C 29 32.300 33.464 -1.164 1
1 354 . 18 1 1 A 29 29 VAL N N 29 123.500 127.318 -3.818 1
1 355 . 18 1 1 A 30 30 THR H H 30 9.720 8.540 1.180 1
1 356 . 18 1 1 A 30 30 THR HA H 30 5.010 4.954 0.056 1
1 361 . 18 1 1 A 30 30 THR CA C 30 60.800 58.392 2.408 1
1 362 . 18 1 1 A 30 30 THR CB C 30 68.700 69.503 -0.803 1
1 364 . 18 1 1 A 30 30 THR N N 30 122.300 117.999 4.301 1
1 365 . 18 1 1 A 31 31 PRO HA H 31 4.510 4.570 -0.060 1
1 372 . 18 1 1 A 31 31 PRO C C 31 176.400 177.252 -0.852 1
1 373 . 18 1 1 A 31 31 PRO CA C 31 65.200 64.266 0.934 1
1 374 . 18 1 1 A 31 31 PRO CB C 31 32.600 31.784 0.816 1
1 377 . 18 1 1 A 32 32 VAL H H 32 6.830 7.909 -1.079 1
1 378 . 18 1 1 A 32 32 VAL HA H 32 4.450 4.196 0.254 1
1 386 . 18 1 1 A 32 32 VAL C C 32 175.700 175.412 0.288 1
1 387 . 18 1 1 A 32 32 VAL CA C 32 60.600 62.734 -2.134 1
1 388 . 18 1 1 A 32 32 VAL CB C 32 31.200 32.326 -1.126 1
1 391 . 18 1 1 A 32 32 VAL N N 32 105.600 116.078 -10.478 1
1 392 . 18 1 1 A 33 33 ASP H H 33 7.800 7.968 -0.168 1
1 393 . 18 1 1 A 33 33 ASP HA H 33 4.910 5.178 -0.268 1
1 396 . 18 1 1 A 33 33 ASP C C 33 174.900 174.607 0.293 1
1 397 . 18 1 1 A 33 33 ASP CA C 33 55.100 52.637 2.463 1
1 398 . 18 1 1 A 33 33 ASP CB C 33 43.900 44.102 -0.202 1
1 399 . 18 1 1 A 33 33 ASP N N 33 122.100 122.145 -0.045 1
1 400 . 18 1 1 A 34 34 ASP H H 34 8.810 8.564 0.246 1
1 401 . 18 1 1 A 34 34 ASP HA H 34 5.060 5.040 0.020 1
1 404 . 18 1 1 A 34 34 ASP C C 34 176.500 175.817 0.683 1
1 405 . 18 1 1 A 34 34 ASP CA C 34 53.700 54.084 -0.384 1
1 406 . 18 1 1 A 34 34 ASP CB C 34 41.600 41.387 0.213 1
1 407 . 18 1 1 A 34 34 ASP N N 34 121.800 124.733 -2.933 1
1 408 . 18 1 1 A 35 35 TYR H H 35 8.570 8.479 0.091 1
1 409 . 18 1 1 A 35 35 TYR HA H 35 5.220 5.363 -0.143 1
1 416 . 18 1 1 A 35 35 TYR C C 35 171.800 172.903 -1.103 1
1 417 . 18 1 1 A 35 35 TYR CA C 35 56.300 56.056 0.244 1
1 418 . 18 1 1 A 35 35 TYR CB C 35 40.700 41.423 -0.723 1
1 423 . 18 1 1 A 35 35 TYR N N 35 117.900 118.845 -0.945 1
1 424 . 18 1 1 A 36 36 VAL H H 36 9.340 8.809 0.531 1
1 425 . 18 1 1 A 36 36 VAL HA H 36 4.660 4.736 -0.076 1
1 433 . 18 1 1 A 36 36 VAL C C 36 173.300 174.780 -1.480 1
1 434 . 18 1 1 A 36 36 VAL CA C 36 59.300 60.361 -1.061 1
1 435 . 18 1 1 A 36 36 VAL CB C 36 35.100 35.951 -0.851 1
1 438 . 18 1 1 A 36 36 VAL N N 36 120.700 119.058 1.642 1
1 439 . 18 1 1 A 37 37 ILE H H 37 8.820 8.845 -0.025 1
1 440 . 18 1 1 A 37 37 ILE HA H 37 4.820 5.029 -0.209 1
1 450 . 18 1 1 A 37 37 ILE C C 37 175.500 173.903 1.597 1
1 451 . 18 1 1 A 37 37 ILE CA C 37 59.700 59.850 -0.150 1
1 452 . 18 1 1 A 37 37 ILE CB C 37 40.600 38.616 1.984 1
1 456 . 18 1 1 A 37 37 ILE N N 37 124.100 127.213 -3.113 1
1 457 . 18 1 1 A 38 38 ASP H H 38 8.280 8.547 -0.267 1
1 458 . 18 1 1 A 38 38 ASP HA H 38 4.430 5.233 -0.803 1
1 461 . 18 1 1 A 38 38 ASP C C 38 177.000 176.686 0.314 1
1 462 . 18 1 1 A 38 38 ASP CA C 38 51.400 52.594 -1.194 1
1 463 . 18 1 1 A 38 38 ASP CB C 38 41.200 41.993 -0.793 1
1 464 . 18 1 1 A 38 38 ASP N N 38 126.600 127.442 -0.842 1
1 465 . 18 1 1 A 39 39 GLY H H 39 8.910 8.744 0.166 1
1 466 . 18 1 1 A 39 39 GLY HA2 H 39 3.640 4.025 -0.385 1
1 467 . 18 1 1 A 39 39 GLY HA3 H 39 3.850 4.087 -0.237 1
1 468 . 18 1 1 A 39 39 GLY C C 39 174.500 174.210 0.290 1
1 469 . 18 1 1 A 39 39 GLY CA C 39 47.600 45.543 2.057 1
1 470 . 18 1 1 A 39 39 GLY N N 39 114.900 114.134 0.766 1
1 471 . 18 1 1 A 40 40 GLY H H 40 8.220 8.347 -0.127 1
1 472 . 18 1 1 A 40 40 GLY HA2 H 40 3.900 4.042 -0.142 1
1 473 . 18 1 1 A 40 40 GLY HA3 H 40 3.900 4.054 -0.154 1
1 474 . 18 1 1 A 40 40 GLY C C 40 173.900 174.583 -0.683 1
1 475 . 18 1 1 A 40 40 GLY CA C 40 45.000 45.498 -0.498 1
1 476 . 18 1 1 A 40 40 GLY N N 40 112.200 107.329 4.871 1
1 477 . 18 1 1 A 41 41 GLU H H 41 7.770 7.879 -0.109 1
1 478 . 18 1 1 A 41 41 GLU HA H 41 4.750 4.695 0.055 1
1 483 . 18 1 1 A 41 41 GLU C C 41 174.800 175.733 -0.933 1
1 484 . 18 1 1 A 41 41 GLU CA C 41 54.300 55.421 -1.121 1
1 485 . 18 1 1 A 41 41 GLU CB C 41 30.300 31.123 -0.823 1
1 487 . 18 1 1 A 41 41 GLU N N 41 120.200 120.314 -0.114 1
1 488 . 18 1 1 A 42 42 ILE H H 42 8.720 8.357 0.363 1
1 489 . 18 1 1 A 42 42 ILE HA H 42 4.780 4.881 -0.101 1
1 499 . 18 1 1 A 42 42 ILE C C 42 174.800 175.187 -0.387 1
1 500 . 18 1 1 A 42 42 ILE CA C 42 59.200 59.928 -0.728 1
1 501 . 18 1 1 A 42 42 ILE CB C 42 40.300 40.298 0.002 1
1 505 . 18 1 1 A 42 42 ILE N N 42 122.000 120.014 1.986 1
1 506 . 18 1 1 A 43 43 ILE H H 43 9.230 9.162 0.068 1
1 507 . 18 1 1 A 43 43 ILE HA H 43 4.480 4.659 -0.179 1
1 517 . 18 1 1 A 43 43 ILE C C 43 176.400 175.626 0.774 1
1 518 . 18 1 1 A 43 43 ILE CA C 43 61.000 59.937 1.063 1
1 519 . 18 1 1 A 43 43 ILE CB C 43 42.300 41.089 1.211 1
1 523 . 18 1 1 A 43 43 ILE N N 43 126.400 127.224 -0.824 1
1 524 . 18 1 1 A 44 44 LEU H H 44 10.930 8.502 2.428 1
1 525 . 18 1 1 A 44 44 LEU HA H 44 4.280 4.251 0.029 1
1 535 . 18 1 1 A 44 44 LEU C C 44 179.300 178.222 1.078 1
1 536 . 18 1 1 A 44 44 LEU CA C 44 56.500 56.069 0.431 1
1 537 . 18 1 1 A 44 44 LEU CB C 44 42.600 43.593 -0.993 1
1 541 . 18 1 1 A 44 44 LEU N N 44 130.900 129.144 1.756 1
1 542 . 18 1 1 A 45 45 ARG H H 45 8.610 8.626 -0.016 1
1 543 . 18 1 1 A 45 45 ARG HA H 45 3.890 4.046 -0.156 1
1 551 . 18 1 1 A 45 45 ARG C C 45 179.300 178.107 1.193 1
1 552 . 18 1 1 A 45 45 ARG CA C 45 60.200 59.037 1.163 1
1 553 . 18 1 1 A 45 45 ARG CB C 45 29.400 29.993 -0.593 1
1 556 . 18 1 1 A 45 45 ARG N N 45 125.400 126.752 -1.352 1
1 558 . 18 1 1 A 46 46 GLU H H 46 9.020 7.760 1.260 1
1 559 . 18 1 1 A 46 46 GLU HA H 46 4.210 4.068 0.142 1
1 564 . 18 1 1 A 46 46 GLU C C 46 176.700 177.684 -0.984 1
1 565 . 18 1 1 A 46 46 GLU CA C 46 59.000 58.748 0.252 1
1 566 . 18 1 1 A 46 46 GLU CB C 46 29.600 29.467 0.133 1
1 568 . 18 1 1 A 46 46 GLU N N 46 117.500 120.020 -2.520 1
1 569 . 18 1 1 A 47 47 ASN H H 47 7.870 7.982 -0.112 1
1 570 . 18 1 1 A 47 47 ASN HA H 47 5.100 4.787 0.313 1
1 573 . 18 1 1 A 47 47 ASN C C 47 175.200 176.601 -1.401 1
1 574 . 18 1 1 A 47 47 ASN CA C 47 52.800 53.565 -0.765 1
1 575 . 18 1 1 A 47 47 ASN CB C 47 40.500 39.411 1.089 1
1 576 . 18 1 1 A 47 47 ASN N N 47 115.900 115.658 0.242 1
1 577 . 18 1 1 A 48 48 LEU H H 48 7.760 7.703 0.057 1
1 578 . 18 1 1 A 48 48 LEU HA H 48 4.060 4.122 -0.062 1
1 588 . 18 1 1 A 48 48 LEU C C 48 177.200 178.396 -1.196 1
1 589 . 18 1 1 A 48 48 LEU CA C 48 59.000 57.442 1.558 1
1 590 . 18 1 1 A 48 48 LEU CB C 48 42.800 41.305 1.495 1
1 594 . 18 1 1 A 48 48 LEU N N 48 122.300 121.702 0.598 1
1 595 . 18 1 1 A 49 49 GLU H H 49 8.770 8.961 -0.191 1
1 596 . 18 1 1 A 49 49 GLU HA H 49 3.670 4.051 -0.381 1
1 601 . 18 1 1 A 49 49 GLU C C 49 176.200 178.869 -2.669 1
1 602 . 18 1 1 A 49 49 GLU CA C 49 61.300 58.819 2.481 1
1 603 . 18 1 1 A 49 49 GLU CB C 49 28.200 28.856 -0.656 1
1 605 . 18 1 1 A 49 49 GLU N N 49 118.800 117.015 1.785 1
1 606 . 18 1 1 A 50 50 ARG H H 50 8.000 7.732 0.268 1
1 607 . 18 1 1 A 50 50 ARG HA H 50 3.860 4.094 -0.234 1
1 615 . 18 1 1 A 50 50 ARG C C 50 174.100 178.574 -4.474 1
1 616 . 18 1 1 A 50 50 ARG CA C 50 60.100 58.637 1.463 1
1 617 . 18 1 1 A 50 50 ARG CB C 50 29.900 29.621 0.279 1
1 620 . 18 1 1 A 50 50 ARG N N 50 119.100 120.382 -1.282 1
1 622 . 18 1 1 A 51 51 TYR H H 51 8.250 8.160 0.090 1
1 623 . 18 1 1 A 51 51 TYR HA H 51 4.610 4.015 0.595 1
1 630 . 18 1 1 A 51 51 TYR C C 51 178.500 177.212 1.288 1
1 631 . 18 1 1 A 51 51 TYR CA C 51 61.700 61.210 0.490 1
1 632 . 18 1 1 A 51 51 TYR CB C 51 40.000 38.755 1.245 1
1 637 . 18 1 1 A 51 51 TYR N N 51 120.400 120.944 -0.544 1
1 638 . 18 1 1 A 52 52 LEU H H 52 9.030 8.148 0.882 1
1 639 . 18 1 1 A 52 52 LEU HA H 52 3.690 3.895 -0.205 1
1 649 . 18 1 1 A 52 52 LEU C C 52 180.000 179.078 0.922 1
1 650 . 18 1 1 A 52 52 LEU CA C 52 57.600 57.583 0.017 1
1 651 . 18 1 1 A 52 52 LEU CB C 52 40.800 41.282 -0.482 1
1 655 . 18 1 1 A 52 52 LEU N N 52 118.300 119.233 -0.933 1
1 656 . 18 1 1 A 53 53 ARG H H 53 8.530 7.782 0.748 1
1 657 . 18 1 1 A 53 53 ARG HA H 53 4.820 3.884 0.936 1
1 665 . 18 1 1 A 53 53 ARG C C 53 179.100 178.639 0.461 1
1 666 . 18 1 1 A 53 53 ARG CA C 53 59.300 59.898 -0.598 1
1 667 . 18 1 1 A 53 53 ARG CB C 53 31.900 30.085 1.815 1
1 670 . 18 1 1 A 53 53 ARG N N 53 119.400 120.182 -0.782 1
1 672 . 18 1 1 A 54 54 GLU H H 54 9.090 8.405 0.685 1
1 673 . 18 1 1 A 54 54 GLU HA H 54 4.100 4.269 -0.169 1
1 678 . 18 1 1 A 54 54 GLU C C 54 178.700 178.006 0.694 1
1 679 . 18 1 1 A 54 54 GLU CA C 54 59.300 58.120 1.180 1
1 680 . 18 1 1 A 54 54 GLU CB C 54 31.000 30.554 0.446 1
1 682 . 18 1 1 A 54 54 GLU N N 54 116.700 118.008 -1.308 1
1 683 . 18 1 1 A 55 55 GLN H H 55 8.760 7.558 1.202 1
1 684 . 18 1 1 A 55 55 GLN HA H 55 4.290 4.004 0.286 1
1 691 . 18 1 1 A 55 55 GLN C C 55 177.700 175.658 2.042 1
1 692 . 18 1 1 A 55 55 GLN CA C 55 55.800 57.764 -1.964 1
1 693 . 18 1 1 A 55 55 GLN CB C 55 28.000 28.887 -0.887 1
1 695 . 18 1 1 A 55 55 GLN N N 55 113.900 119.798 -5.898 1
1 697 . 18 1 1 A 56 56 LEU H H 56 6.650 8.220 -1.570 1
1 698 . 18 1 1 A 56 56 LEU HA H 56 4.700 3.781 0.919 1
1 708 . 18 1 1 A 56 56 LEU C C 56 178.000 177.062 0.938 1
1 709 . 18 1 1 A 56 56 LEU CA C 56 55.300 55.545 -0.245 1
1 710 . 18 1 1 A 56 56 LEU CB C 56 43.800 40.907 2.893 1
1 714 . 18 1 1 A 56 56 LEU N N 56 116.200 119.641 -3.441 1
1 715 . 18 1 1 A 57 57 GLY H H 57 7.160 8.045 -0.885 1
1 716 . 18 1 1 A 57 57 GLY HA2 H 57 4.070 3.764 0.306 1
1 717 . 18 1 1 A 57 57 GLY HA3 H 57 4.070 3.854 0.216 1
1 718 . 18 1 1 A 57 57 GLY C C 57 175.000 174.153 0.847 1
1 719 . 18 1 1 A 57 57 GLY CA C 57 46.900 45.018 1.882 1
1 720 . 18 1 1 A 57 57 GLY N N 57 109.000 106.075 2.925 1
1 721 . 18 1 1 A 58 58 PHE H H 58 8.480 7.961 0.519 1
1 722 . 18 1 1 A 58 58 PHE HA H 58 4.690 4.367 0.323 1
1 730 . 18 1 1 A 58 58 PHE C C 58 175.700 174.552 1.148 1
1 731 . 18 1 1 A 58 58 PHE CA C 58 57.900 60.047 -2.147 1
1 732 . 18 1 1 A 58 58 PHE CB C 58 39.500 37.370 2.130 1
1 738 . 18 1 1 A 58 58 PHE N N 58 123.100 116.727 6.373 1
1 739 . 18 1 1 A 59 59 GLU H H 59 8.440 8.638 -0.198 1
1 740 . 18 1 1 A 59 59 GLU HA H 59 4.820 4.634 0.186 1
1 745 . 18 1 1 A 59 59 GLU C C 59 174.700 174.930 -0.230 1
1 746 . 18 1 1 A 59 59 GLU CA C 59 54.600 54.626 -0.026 1
1 747 . 18 1 1 A 59 59 GLU CB C 59 32.800 30.589 2.211 1
1 749 . 18 1 1 A 59 59 GLU N N 59 118.600 123.533 -4.933 1
1 750 . 18 1 1 A 60 60 PHE H H 60 9.110 9.035 0.075 1
1 751 . 18 1 1 A 60 60 PHE HA H 60 4.470 5.013 -0.543 1
1 759 . 18 1 1 A 60 60 PHE C C 60 175.100 175.992 -0.892 1
1 760 . 18 1 1 A 60 60 PHE CA C 60 58.100 57.862 0.238 1
1 761 . 18 1 1 A 60 60 PHE CB C 60 39.900 39.960 -0.060 1
1 767 . 18 1 1 A 60 60 PHE N N 60 124.300 126.748 -2.448 1
1 768 . 18 1 1 A 61 61 LYS H H 61 8.510 8.858 -0.348 1
1 769 . 18 1 1 A 61 61 LYS HA H 61 4.360 5.240 -0.880 1
1 778 . 18 1 1 A 61 61 LYS C C 61 174.700 175.278 -0.578 1
1 779 . 18 1 1 A 61 61 LYS CA C 61 53.800 54.581 -0.781 1
1 780 . 18 1 1 A 61 61 LYS CB C 61 31.300 35.926 -4.626 1
1 784 . 18 1 1 A 61 61 LYS N N 61 124.900 123.208 1.692 1
1 785 . 18 1 1 A 62 62 ASN H H 62 8.400 8.971 -0.571 1
1 786 . 18 1 1 A 62 62 ASN HA H 62 4.910 5.384 -0.474 1
1 789 . 18 1 1 A 62 62 ASN C C 62 175.500 174.418 1.082 1
1 790 . 18 1 1 A 62 62 ASN CA C 62 52.400 51.988 0.412 1
1 791 . 18 1 1 A 62 62 ASN CB C 62 39.400 42.815 -3.415 1
1 792 . 18 1 1 A 62 62 ASN N N 62 121.800 119.406 2.394 1
1 793 . 18 1 1 A 63 63 ALA H H 63 8.960 8.688 0.272 1
1 794 . 18 1 1 A 63 63 ALA HA H 63 4.170 4.283 -0.113 1
1 798 . 18 1 1 A 63 63 ALA C C 63 178.200 176.621 1.579 1
1 799 . 18 1 1 A 63 63 ALA CA C 63 53.300 51.756 1.544 1
1 800 . 18 1 1 A 63 63 ALA CB C 63 19.300 17.586 1.714 1
1 801 . 18 1 1 A 63 63 ALA N N 63 126.200 126.032 0.168 1
1 802 . 18 1 1 A 64 64 GLN H H 64 8.570 9.071 -0.501 1
1 803 . 18 1 1 A 64 64 GLN HA H 64 4.280 4.382 -0.102 1
1 810 . 18 1 1 A 64 64 GLN C C 64 176.200 174.576 1.624 1
1 811 . 18 1 1 A 64 64 GLN CA C 64 56.300 55.231 1.069 1
1 812 . 18 1 1 A 64 64 GLN CB C 64 29.400 27.421 1.979 1
1 814 . 18 1 1 A 64 64 GLN N N 64 119.900 124.596 -4.696 1
1 816 . 18 1 1 A 65 65 LEU H H 65 8.080 8.654 -0.574 1
1 817 . 18 1 1 A 65 65 LEU HA H 65 4.320 4.895 -0.575 1
1 827 . 18 1 1 A 65 65 LEU C C 65 177.200 175.200 2.000 1
1 828 . 18 1 1 A 65 65 LEU CA C 65 55.300 53.995 1.305 1
1 829 . 18 1 1 A 65 65 LEU CB C 65 42.700 43.728 -1.028 1
1 833 . 18 1 1 A 65 65 LEU N N 65 121.700 128.321 -6.621 1
1 834 . 18 1 1 A 66 66 GLU H H 66 8.290 8.734 -0.444 1
1 835 . 18 1 1 A 66 66 GLU HA H 66 4.190 4.690 -0.500 1
1 840 . 18 1 1 A 66 66 GLU C C 66 176.300 175.453 0.847 1
1 841 . 18 1 1 A 66 66 GLU CA C 66 56.800 56.721 0.079 1
1 842 . 18 1 1 A 66 66 GLU CB C 66 30.400 29.619 0.781 1
1 844 . 18 1 1 A 66 66 GLU N N 66 120.400 127.119 -6.719 1
1 845 . 18 1 1 A 67 67 HIS H H 67 8.280 8.677 -0.397 1
1 846 . 18 1 1 A 67 67 HIS HA H 67 4.620 5.153 -0.533 1
1 850 . 18 1 1 A 67 67 HIS C C 67 173.900 173.203 0.697 1
1 851 . 18 1 1 A 67 67 HIS CA C 67 55.900 53.958 1.942 1
1 852 . 18 1 1 A 67 67 HIS CB C 67 30.100 29.653 0.447 1
1 854 . 18 1 1 A 67 67 HIS N N 67 119.300 125.940 -6.640 1
1 855 . 18 1 1 A 68 68 HIS H H 68 8.180 9.072 -0.892 1
1 856 . 18 1 1 A 68 68 HIS HA H 68 4.440 4.802 -0.362 1
1 859 . 18 1 1 A 68 68 HIS CA C 68 57.300 54.644 2.656 1
1 860 . 18 1 1 A 68 68 HIS CB C 68 30.200 29.558 0.642 1
1 861 . 18 1 1 A 68 68 HIS N N 68 125.300 125.296 0.004 1
1 2 . 19 1 1 A 2 2 VAL H H 2 8.100 8.821 -0.721 1
1 3 . 19 1 1 A 2 2 VAL HA H 2 4.090 4.492 -0.402 1
1 5 . 19 1 1 A 2 2 VAL C C 2 176.500 175.574 0.926 1
1 6 . 19 1 1 A 2 2 VAL CA C 2 62.300 61.218 1.082 1
1 7 . 19 1 1 A 2 2 VAL CB C 2 32.700 33.668 -0.968 1
1 8 . 19 1 1 A 2 2 VAL N N 2 124.800 126.423 -1.623 1
1 9 . 19 1 1 A 3 3 GLU H H 3 8.500 8.690 -0.190 1
1 10 . 19 1 1 A 3 3 GLU HA H 3 4.280 4.498 -0.218 1
1 15 . 19 1 1 A 3 3 GLU C C 3 175.900 175.292 0.608 1
1 16 . 19 1 1 A 3 3 GLU CA C 3 56.500 56.079 0.421 1
1 17 . 19 1 1 A 3 3 GLU CB C 3 30.400 28.700 1.700 1
1 19 . 19 1 1 A 3 3 GLU N N 3 124.200 126.834 -2.634 1
1 20 . 19 1 1 A 4 4 ASN H H 4 8.500 8.328 0.172 1
1 21 . 19 1 1 A 4 4 ASN HA H 4 4.970 5.157 -0.187 1
1 26 . 19 1 1 A 4 4 ASN CA C 4 51.200 49.845 1.355 1
1 27 . 19 1 1 A 4 4 ASN CB C 4 39.000 39.226 -0.226 1
1 28 . 19 1 1 A 4 4 ASN N N 4 120.700 123.583 -2.883 1
1 30 . 19 1 1 A 5 5 PRO HA H 5 4.390 4.870 -0.480 1
1 37 . 19 1 1 A 5 5 PRO C C 5 176.800 176.419 0.381 1
1 38 . 19 1 1 A 5 5 PRO CA C 5 63.500 62.278 1.222 1
1 39 . 19 1 1 A 5 5 PRO CB C 5 32.200 30.676 1.524 1
1 42 . 19 1 1 A 6 6 MET H H 6 8.300 8.315 -0.015 1
1 43 . 19 1 1 A 6 6 MET HA H 6 4.400 4.681 -0.281 1
1 51 . 19 1 1 A 6 6 MET C C 6 176.200 176.049 0.151 1
1 52 . 19 1 1 A 6 6 MET CA C 6 55.800 54.596 1.204 1
1 53 . 19 1 1 A 6 6 MET CB C 6 32.600 32.074 0.526 1
1 56 . 19 1 1 A 6 6 MET N N 6 119.400 120.878 -1.478 1
1 57 . 19 1 1 A 7 7 VAL H H 7 7.980 8.152 -0.172 1
1 58 . 19 1 1 A 7 7 VAL HA H 7 4.080 3.903 0.177 1
1 66 . 19 1 1 A 7 7 VAL C C 7 175.800 175.891 -0.091 1
1 67 . 19 1 1 A 7 7 VAL CA C 7 62.400 65.575 -3.175 1
1 68 . 19 1 1 A 7 7 VAL CB C 7 32.800 32.028 0.772 1
1 71 . 19 1 1 A 7 7 VAL N N 7 121.500 125.078 -3.578 1
1 72 . 19 1 1 A 8 8 ILE H H 8 8.140 7.202 0.938 1
1 73 . 19 1 1 A 8 8 ILE HA H 8 4.120 4.612 -0.492 1
1 83 . 19 1 1 A 8 8 ILE C C 8 175.800 175.580 0.220 1
1 84 . 19 1 1 A 8 8 ILE CA C 8 60.900 58.816 2.084 1
1 85 . 19 1 1 A 8 8 ILE CB C 8 38.600 40.220 -1.620 1
1 89 . 19 1 1 A 8 8 ILE N N 8 124.500 116.705 7.795 1
1 90 . 19 1 1 A 9 9 ASN H H 9 8.450 8.535 -0.085 1
1 91 . 19 1 1 A 9 9 ASN HA H 9 4.630 4.853 -0.223 1
1 96 . 19 1 1 A 9 9 ASN C C 9 174.700 176.120 -1.420 1
1 97 . 19 1 1 A 9 9 ASN CA C 9 53.200 52.526 0.674 1
1 98 . 19 1 1 A 9 9 ASN CB C 9 39.000 39.667 -0.667 1
1 99 . 19 1 1 A 9 9 ASN N N 9 122.700 119.953 2.747 1
1 101 . 19 1 1 A 10 10 ASN H H 10 8.320 8.785 -0.465 1
1 102 . 19 1 1 A 10 10 ASN HA H 10 4.680 4.533 0.147 1
1 107 . 19 1 1 A 10 10 ASN C C 10 175.000 176.056 -1.056 1
1 108 . 19 1 1 A 10 10 ASN CA C 10 53.100 55.754 -2.654 1
1 109 . 19 1 1 A 10 10 ASN CB C 10 38.700 39.189 -0.489 1
1 110 . 19 1 1 A 10 10 ASN N N 10 119.600 118.090 1.510 1
1 112 . 19 1 1 A 11 11 TRP H H 11 8.060 7.586 0.474 1
1 113 . 19 1 1 A 11 11 TRP HA H 11 4.550 4.780 -0.230 1
1 122 . 19 1 1 A 11 11 TRP C C 11 176.200 176.763 -0.563 1
1 123 . 19 1 1 A 11 11 TRP CA C 11 57.800 55.650 2.150 1
1 124 . 19 1 1 A 11 11 TRP CB C 11 29.300 27.416 1.884 1
1 130 . 19 1 1 A 11 11 TRP N N 11 121.200 116.067 5.133 1
1 132 . 19 1 1 A 12 12 HIS H H 12 7.980 7.496 0.484 1
1 133 . 19 1 1 A 12 12 HIS HA H 12 4.410 4.783 -0.373 1
1 137 . 19 1 1 A 12 12 HIS C C 12 174.400 175.098 -0.698 1
1 138 . 19 1 1 A 12 12 HIS CA C 12 56.200 56.007 0.193 1
1 139 . 19 1 1 A 12 12 HIS CB C 12 29.600 30.497 -0.897 1
1 141 . 19 1 1 A 12 12 HIS N N 12 119.900 118.308 1.592 1
1 142 . 19 1 1 A 13 13 ASP H H 13 8.130 7.839 0.291 1
1 143 . 19 1 1 A 13 13 ASP HA H 13 4.470 4.597 -0.127 1
1 146 . 19 1 1 A 13 13 ASP C C 13 176.100 176.282 -0.182 1
1 147 . 19 1 1 A 13 13 ASP CA C 13 54.700 53.571 1.129 1
1 148 . 19 1 1 A 13 13 ASP CB C 13 41.100 40.994 0.106 1
1 149 . 19 1 1 A 13 13 ASP N N 13 120.600 119.253 1.347 1
1 150 . 19 1 1 A 14 14 LYS H H 14 8.150 7.496 0.654 1
1 151 . 19 1 1 A 14 14 LYS HA H 14 4.270 4.424 -0.154 1
1 160 . 19 1 1 A 14 14 LYS C C 14 176.600 175.941 0.659 1
1 161 . 19 1 1 A 14 14 LYS CA C 14 56.500 56.069 0.431 1
1 162 . 19 1 1 A 14 14 LYS CB C 14 32.900 33.233 -0.333 1
1 166 . 19 1 1 A 14 14 LYS N N 14 120.900 120.450 0.450 1
1 167 . 19 1 1 A 15 15 LEU H H 15 8.220 8.420 -0.200 1
1 168 . 19 1 1 A 15 15 LEU HA H 15 4.360 4.883 -0.523 1
1 178 . 19 1 1 A 15 15 LEU C C 15 177.600 177.480 0.120 1
1 179 . 19 1 1 A 15 15 LEU CA C 15 55.600 53.712 1.888 1
1 180 . 19 1 1 A 15 15 LEU CB C 15 42.200 43.644 -1.444 1
1 184 . 19 1 1 A 15 15 LEU N N 15 122.500 122.984 -0.484 1
1 185 . 19 1 1 A 16 16 THR H H 16 8.090 8.690 -0.600 1
1 186 . 19 1 1 A 16 16 THR HA H 16 4.340 4.794 -0.454 1
1 191 . 19 1 1 A 16 16 THR C C 16 174.700 175.822 -1.122 1
1 192 . 19 1 1 A 16 16 THR CA C 16 61.700 60.349 1.351 1
1 193 . 19 1 1 A 16 16 THR CB C 16 70.000 71.283 -1.283 1
1 195 . 19 1 1 A 16 16 THR N N 16 113.800 114.819 -1.019 1
1 196 . 19 1 1 A 17 17 GLU H H 17 8.400 8.967 -0.567 1
1 197 . 19 1 1 A 17 17 GLU HA H 17 4.330 4.131 0.199 1
1 202 . 19 1 1 A 17 17 GLU C C 17 176.500 177.370 -0.870 1
1 203 . 19 1 1 A 17 17 GLU CA C 17 56.900 59.254 -2.354 1
1 204 . 19 1 1 A 17 17 GLU CB C 17 30.200 29.805 0.395 1
1 206 . 19 1 1 A 17 17 GLU N N 17 122.700 121.999 0.701 1
1 207 . 19 1 1 A 18 18 THR H H 18 8.040 7.776 0.264 1
1 208 . 19 1 1 A 18 18 THR HA H 18 4.350 4.562 -0.212 1
1 213 . 19 1 1 A 18 18 THR C C 18 174.000 173.943 0.057 1
1 214 . 19 1 1 A 18 18 THR CA C 18 61.700 63.385 -1.685 1
1 215 . 19 1 1 A 18 18 THR CB C 18 69.800 70.082 -0.282 1
1 217 . 19 1 1 A 18 18 THR N N 18 113.600 110.329 3.271 1
1 218 . 19 1 1 A 19 19 ASP H H 19 8.290 8.255 0.035 1
1 219 . 19 1 1 A 19 19 ASP HA H 19 4.640 4.835 -0.195 1
1 222 . 19 1 1 A 19 19 ASP C C 19 175.500 174.610 0.890 1
1 223 . 19 1 1 A 19 19 ASP CA C 19 54.500 52.544 1.956 1
1 224 . 19 1 1 A 19 19 ASP CB C 19 41.200 40.939 0.261 1
1 225 . 19 1 1 A 19 19 ASP N N 19 122.900 118.776 4.124 1
1 226 . 19 1 1 A 20 20 VAL H H 20 7.900 8.766 -0.866 1
1 227 . 19 1 1 A 20 20 VAL HA H 20 4.200 4.566 -0.366 1
1 235 . 19 1 1 A 20 20 VAL C C 20 175.400 174.574 0.826 1
1 236 . 19 1 1 A 20 20 VAL CA C 20 61.900 61.596 0.304 1
1 237 . 19 1 1 A 20 20 VAL CB C 20 33.500 32.231 1.269 1
1 240 . 19 1 1 A 20 20 VAL N N 20 119.900 124.356 -4.456 1
1 241 . 19 1 1 A 21 21 GLN H H 21 8.490 7.978 0.512 1
1 242 . 19 1 1 A 21 21 GLN HA H 21 4.510 5.032 -0.522 1
1 249 . 19 1 1 A 21 21 GLN C C 21 173.800 174.266 -0.466 1
1 250 . 19 1 1 A 21 21 GLN CA C 21 54.700 53.367 1.333 1
1 251 . 19 1 1 A 21 21 GLN CB C 21 31.600 31.940 -0.340 1
1 253 . 19 1 1 A 21 21 GLN N N 21 124.800 124.053 0.747 1
1 255 . 19 1 1 A 22 22 ILE H H 22 8.070 8.690 -0.620 1
1 256 . 19 1 1 A 22 22 ILE HA H 22 4.820 4.725 0.095 1
1 266 . 19 1 1 A 22 22 ILE C C 22 175.500 175.560 -0.060 1
1 267 . 19 1 1 A 22 22 ILE CA C 22 58.700 58.982 -0.282 1
1 268 . 19 1 1 A 22 22 ILE CB C 22 39.800 41.555 -1.755 1
1 272 . 19 1 1 A 22 22 ILE N N 22 120.500 120.737 -0.237 1
1 273 . 19 1 1 A 23 23 ASP H H 23 9.340 8.602 0.738 1
1 274 . 19 1 1 A 23 23 ASP HA H 23 4.570 4.986 -0.416 1
1 277 . 19 1 1 A 23 23 ASP C C 23 178.600 176.430 2.170 1
1 278 . 19 1 1 A 23 23 ASP CA C 23 51.700 52.568 -0.868 1
1 279 . 19 1 1 A 23 23 ASP CB C 23 42.900 41.474 1.426 1
1 280 . 19 1 1 A 23 23 ASP N N 23 128.000 124.849 3.151 1
1 281 . 19 1 1 A 24 24 PHE H H 24 8.860 8.765 0.095 1
1 282 . 19 1 1 A 24 24 PHE HA H 24 3.960 4.145 -0.185 1
1 290 . 19 1 1 A 24 24 PHE C C 24 175.800 177.138 -1.338 1
1 291 . 19 1 1 A 24 24 PHE CA C 24 61.600 60.493 1.107 1
1 292 . 19 1 1 A 24 24 PHE CB C 24 41.800 39.396 2.404 1
1 298 . 19 1 1 A 24 24 PHE N N 24 118.500 119.439 -0.939 1
1 299 . 19 1 1 A 25 25 TYR H H 25 8.340 8.244 0.096 1
1 300 . 19 1 1 A 25 25 TYR HA H 25 4.400 4.370 0.030 1
1 307 . 19 1 1 A 25 25 TYR C C 25 175.700 175.875 -0.175 1
1 308 . 19 1 1 A 25 25 TYR CA C 25 59.200 61.085 -1.885 1
1 309 . 19 1 1 A 25 25 TYR CB C 25 38.700 39.114 -0.414 1
1 314 . 19 1 1 A 25 25 TYR N N 25 114.500 119.323 -4.823 1
1 315 . 19 1 1 A 26 26 GLY H H 26 8.460 7.648 0.812 1
1 316 . 19 1 1 A 26 26 GLY HA2 H 26 4.230 3.914 0.316 1
1 317 . 19 1 1 A 26 26 GLY HA3 H 26 3.500 3.944 -0.444 1
1 318 . 19 1 1 A 26 26 GLY C C 26 174.700 174.129 0.571 1
1 319 . 19 1 1 A 26 26 GLY CA C 26 45.200 45.794 -0.594 1
1 320 . 19 1 1 A 26 26 GLY N N 26 109.700 107.428 2.272 1
1 321 . 19 1 1 A 27 27 ASP H H 27 8.400 7.901 0.499 1
1 322 . 19 1 1 A 27 27 ASP HA H 27 4.330 4.928 -0.598 1
1 325 . 19 1 1 A 27 27 ASP C C 27 175.700 175.434 0.266 1
1 326 . 19 1 1 A 27 27 ASP CA C 27 56.700 55.490 1.210 1
1 327 . 19 1 1 A 27 27 ASP CB C 27 30.300 42.003 -11.703 1
1 328 . 19 1 1 A 27 27 ASP N N 27 122.700 120.488 2.212 1
1 329 . 19 1 1 A 28 28 GLU H H 28 7.960 7.726 0.234 1
1 330 . 19 1 1 A 28 28 GLU HA H 28 4.280 4.593 -0.313 1
1 335 . 19 1 1 A 28 28 GLU C C 28 175.200 174.054 1.146 1
1 336 . 19 1 1 A 28 28 GLU CA C 28 57.400 56.339 1.061 1
1 337 . 19 1 1 A 28 28 GLU CB C 28 30.500 33.720 -3.220 1
1 339 . 19 1 1 A 28 28 GLU N N 28 126.100 117.687 8.413 1
1 340 . 19 1 1 A 29 29 VAL H H 29 8.550 8.889 -0.339 1
1 341 . 19 1 1 A 29 29 VAL HA H 29 4.180 4.750 -0.570 1
1 349 . 19 1 1 A 29 29 VAL C C 29 176.000 175.305 0.695 1
1 350 . 19 1 1 A 29 29 VAL CA C 29 61.500 61.230 0.270 1
1 351 . 19 1 1 A 29 29 VAL CB C 29 32.300 33.858 -1.558 1
1 354 . 19 1 1 A 29 29 VAL N N 29 123.500 125.390 -1.890 1
1 355 . 19 1 1 A 30 30 THR H H 30 9.720 8.411 1.309 1
1 356 . 19 1 1 A 30 30 THR HA H 30 5.010 4.914 0.096 1
1 361 . 19 1 1 A 30 30 THR CA C 30 60.800 58.533 2.267 1
1 362 . 19 1 1 A 30 30 THR CB C 30 68.700 69.862 -1.162 1
1 364 . 19 1 1 A 30 30 THR N N 30 122.300 117.424 4.876 1
1 365 . 19 1 1 A 31 31 PRO HA H 31 4.510 4.519 -0.009 1
1 372 . 19 1 1 A 31 31 PRO C C 31 176.400 176.715 -0.315 1
1 373 . 19 1 1 A 31 31 PRO CA C 31 65.200 64.216 0.984 1
1 374 . 19 1 1 A 31 31 PRO CB C 31 32.600 31.400 1.200 1
1 377 . 19 1 1 A 32 32 VAL H H 32 6.830 8.013 -1.183 1
1 378 . 19 1 1 A 32 32 VAL HA H 32 4.450 4.217 0.233 1
1 386 . 19 1 1 A 32 32 VAL C C 32 175.700 174.495 1.205 1
1 387 . 19 1 1 A 32 32 VAL CA C 32 60.600 61.808 -1.208 1
1 388 . 19 1 1 A 32 32 VAL CB C 32 31.200 32.307 -1.107 1
1 391 . 19 1 1 A 32 32 VAL N N 32 105.600 114.409 -8.809 1
1 392 . 19 1 1 A 33 33 ASP H H 33 7.800 8.144 -0.344 1
1 393 . 19 1 1 A 33 33 ASP HA H 33 4.910 5.109 -0.199 1
1 396 . 19 1 1 A 33 33 ASP C C 33 174.900 173.616 1.284 1
1 397 . 19 1 1 A 33 33 ASP CA C 33 55.100 52.560 2.540 1
1 398 . 19 1 1 A 33 33 ASP CB C 33 43.900 44.480 -0.580 1
1 399 . 19 1 1 A 33 33 ASP N N 33 122.100 122.989 -0.889 1
1 400 . 19 1 1 A 34 34 ASP H H 34 8.810 8.689 0.121 1
1 401 . 19 1 1 A 34 34 ASP HA H 34 5.060 5.226 -0.166 1
1 404 . 19 1 1 A 34 34 ASP C C 34 176.500 175.168 1.332 1
1 405 . 19 1 1 A 34 34 ASP CA C 34 53.700 52.838 0.862 1
1 406 . 19 1 1 A 34 34 ASP CB C 34 41.600 42.408 -0.808 1
1 407 . 19 1 1 A 34 34 ASP N N 34 121.800 122.600 -0.800 1
1 408 . 19 1 1 A 35 35 TYR H H 35 8.570 8.631 -0.061 1
1 409 . 19 1 1 A 35 35 TYR HA H 35 5.220 5.422 -0.202 1
1 416 . 19 1 1 A 35 35 TYR C C 35 171.800 173.081 -1.281 1
1 417 . 19 1 1 A 35 35 TYR CA C 35 56.300 56.087 0.213 1
1 418 . 19 1 1 A 35 35 TYR CB C 35 40.700 42.204 -1.504 1
1 423 . 19 1 1 A 35 35 TYR N N 35 117.900 121.553 -3.653 1
1 424 . 19 1 1 A 36 36 VAL H H 36 9.340 9.068 0.272 1
1 425 . 19 1 1 A 36 36 VAL HA H 36 4.660 4.666 -0.006 1
1 433 . 19 1 1 A 36 36 VAL C C 36 173.300 174.825 -1.525 1
1 434 . 19 1 1 A 36 36 VAL CA C 36 59.300 60.268 -0.968 1
1 435 . 19 1 1 A 36 36 VAL CB C 36 35.100 35.850 -0.750 1
1 438 . 19 1 1 A 36 36 VAL N N 36 120.700 119.868 0.832 1
1 439 . 19 1 1 A 37 37 ILE H H 37 8.820 8.820 0.000 1
1 440 . 19 1 1 A 37 37 ILE HA H 37 4.820 4.928 -0.108 1
1 450 . 19 1 1 A 37 37 ILE C C 37 175.500 173.897 1.603 1
1 451 . 19 1 1 A 37 37 ILE CA C 37 59.700 59.717 -0.017 1
1 452 . 19 1 1 A 37 37 ILE CB C 37 40.600 38.785 1.815 1
1 456 . 19 1 1 A 37 37 ILE N N 37 124.100 127.049 -2.949 1
1 457 . 19 1 1 A 38 38 ASP H H 38 8.280 8.878 -0.598 1
1 458 . 19 1 1 A 38 38 ASP HA H 38 4.430 4.912 -0.482 1
1 461 . 19 1 1 A 38 38 ASP C C 38 177.000 176.608 0.392 1
1 462 . 19 1 1 A 38 38 ASP CA C 38 51.400 52.969 -1.569 1
1 463 . 19 1 1 A 38 38 ASP CB C 38 41.200 41.754 -0.554 1
1 464 . 19 1 1 A 38 38 ASP N N 38 126.600 127.366 -0.766 1
1 465 . 19 1 1 A 39 39 GLY H H 39 8.910 8.761 0.149 1
1 466 . 19 1 1 A 39 39 GLY HA2 H 39 3.640 4.098 -0.458 1
1 467 . 19 1 1 A 39 39 GLY HA3 H 39 3.850 4.124 -0.274 1
1 468 . 19 1 1 A 39 39 GLY C C 39 174.500 173.956 0.544 1
1 469 . 19 1 1 A 39 39 GLY CA C 39 47.600 45.685 1.915 1
1 470 . 19 1 1 A 39 39 GLY N N 39 114.900 114.599 0.301 1
1 471 . 19 1 1 A 40 40 GLY H H 40 8.220 8.540 -0.320 1
1 472 . 19 1 1 A 40 40 GLY HA2 H 40 3.900 4.096 -0.196 1
1 473 . 19 1 1 A 40 40 GLY HA3 H 40 3.900 4.106 -0.206 1
1 474 . 19 1 1 A 40 40 GLY C C 40 173.900 174.194 -0.294 1
1 475 . 19 1 1 A 40 40 GLY CA C 40 45.000 45.497 -0.497 1
1 476 . 19 1 1 A 40 40 GLY N N 40 112.200 107.095 5.105 1
1 477 . 19 1 1 A 41 41 GLU H H 41 7.770 7.579 0.191 1
1 478 . 19 1 1 A 41 41 GLU HA H 41 4.750 4.454 0.296 1
1 483 . 19 1 1 A 41 41 GLU C C 41 174.800 175.636 -0.836 1
1 484 . 19 1 1 A 41 41 GLU CA C 41 54.300 56.290 -1.990 1
1 485 . 19 1 1 A 41 41 GLU CB C 41 30.300 30.692 -0.392 1
1 487 . 19 1 1 A 41 41 GLU N N 41 120.200 120.435 -0.235 1
1 488 . 19 1 1 A 42 42 ILE H H 42 8.720 8.573 0.147 1
1 489 . 19 1 1 A 42 42 ILE HA H 42 4.780 4.797 -0.017 1
1 499 . 19 1 1 A 42 42 ILE C C 42 174.800 175.116 -0.316 1
1 500 . 19 1 1 A 42 42 ILE CA C 42 59.200 60.082 -0.882 1
1 501 . 19 1 1 A 42 42 ILE CB C 42 40.300 39.436 0.864 1
1 505 . 19 1 1 A 42 42 ILE N N 42 122.000 123.566 -1.566 1
1 506 . 19 1 1 A 43 43 ILE H H 43 9.230 9.017 0.213 1
1 507 . 19 1 1 A 43 43 ILE HA H 43 4.480 4.584 -0.104 1
1 517 . 19 1 1 A 43 43 ILE C C 43 176.400 175.561 0.839 1
1 518 . 19 1 1 A 43 43 ILE CA C 43 61.000 60.027 0.973 1
1 519 . 19 1 1 A 43 43 ILE CB C 43 42.300 42.070 0.230 1
1 523 . 19 1 1 A 43 43 ILE N N 43 126.400 126.756 -0.356 1
1 524 . 19 1 1 A 44 44 LEU H H 44 10.930 8.233 2.697 1
1 525 . 19 1 1 A 44 44 LEU HA H 44 4.280 4.444 -0.164 1
1 535 . 19 1 1 A 44 44 LEU C C 44 179.300 178.382 0.918 1
1 536 . 19 1 1 A 44 44 LEU CA C 44 56.500 55.289 1.211 1
1 537 . 19 1 1 A 44 44 LEU CB C 44 42.600 42.315 0.285 1
1 541 . 19 1 1 A 44 44 LEU N N 44 130.900 126.915 3.985 1
1 542 . 19 1 1 A 45 45 ARG H H 45 8.610 9.158 -0.548 1
1 543 . 19 1 1 A 45 45 ARG HA H 45 3.890 4.105 -0.215 1
1 551 . 19 1 1 A 45 45 ARG C C 45 179.300 178.192 1.108 1
1 552 . 19 1 1 A 45 45 ARG CA C 45 60.200 58.744 1.456 1
1 553 . 19 1 1 A 45 45 ARG CB C 45 29.400 29.856 -0.456 1
1 556 . 19 1 1 A 45 45 ARG N N 45 125.400 122.291 3.109 1
1 558 . 19 1 1 A 46 46 GLU H H 46 9.020 7.730 1.290 1
1 559 . 19 1 1 A 46 46 GLU HA H 46 4.210 4.086 0.124 1
1 564 . 19 1 1 A 46 46 GLU C C 46 176.700 177.955 -1.255 1
1 565 . 19 1 1 A 46 46 GLU CA C 46 59.000 58.652 0.348 1
1 566 . 19 1 1 A 46 46 GLU CB C 46 29.600 29.818 -0.218 1
1 568 . 19 1 1 A 46 46 GLU N N 46 117.500 120.080 -2.580 1
1 569 . 19 1 1 A 47 47 ASN H H 47 7.870 7.617 0.253 1
1 570 . 19 1 1 A 47 47 ASN HA H 47 5.100 4.914 0.186 1
1 573 . 19 1 1 A 47 47 ASN C C 47 175.200 176.479 -1.279 1
1 574 . 19 1 1 A 47 47 ASN CA C 47 52.800 52.444 0.356 1
1 575 . 19 1 1 A 47 47 ASN CB C 47 40.500 38.752 1.748 1
1 576 . 19 1 1 A 47 47 ASN N N 47 115.900 117.315 -1.415 1
1 577 . 19 1 1 A 48 48 LEU H H 48 7.760 7.484 0.276 1
1 578 . 19 1 1 A 48 48 LEU HA H 48 4.060 4.059 0.001 1
1 588 . 19 1 1 A 48 48 LEU C C 48 177.200 178.655 -1.455 1
1 589 . 19 1 1 A 48 48 LEU CA C 48 59.000 58.118 0.882 1
1 590 . 19 1 1 A 48 48 LEU CB C 48 42.800 41.753 1.047 1
1 594 . 19 1 1 A 48 48 LEU N N 48 122.300 120.952 1.348 1
1 595 . 19 1 1 A 49 49 GLU H H 49 8.770 8.204 0.566 1
1 596 . 19 1 1 A 49 49 GLU HA H 49 3.670 3.947 -0.277 1
1 601 . 19 1 1 A 49 49 GLU C C 49 176.200 179.404 -3.204 1
1 602 . 19 1 1 A 49 49 GLU CA C 49 61.300 59.873 1.427 1
1 603 . 19 1 1 A 49 49 GLU CB C 49 28.200 29.142 -0.942 1
1 605 . 19 1 1 A 49 49 GLU N N 49 118.800 118.915 -0.115 1
1 606 . 19 1 1 A 50 50 ARG H H 50 8.000 7.946 0.054 1
1 607 . 19 1 1 A 50 50 ARG HA H 50 3.860 4.051 -0.191 1
1 615 . 19 1 1 A 50 50 ARG C C 50 174.100 178.610 -4.510 1
1 616 . 19 1 1 A 50 50 ARG CA C 50 60.100 59.623 0.477 1
1 617 . 19 1 1 A 50 50 ARG CB C 50 29.900 30.075 -0.175 1
1 620 . 19 1 1 A 50 50 ARG N N 50 119.100 119.738 -0.638 1
1 622 . 19 1 1 A 51 51 TYR H H 51 8.250 7.873 0.377 1
1 623 . 19 1 1 A 51 51 TYR HA H 51 4.610 4.083 0.527 1
1 630 . 19 1 1 A 51 51 TYR C C 51 178.500 177.367 1.133 1
1 631 . 19 1 1 A 51 51 TYR CA C 51 61.700 61.334 0.366 1
1 632 . 19 1 1 A 51 51 TYR CB C 51 40.000 38.528 1.472 1
1 637 . 19 1 1 A 51 51 TYR N N 51 120.400 121.040 -0.640 1
1 638 . 19 1 1 A 52 52 LEU H H 52 9.030 8.615 0.415 1
1 639 . 19 1 1 A 52 52 LEU HA H 52 3.690 3.752 -0.062 1
1 649 . 19 1 1 A 52 52 LEU C C 52 180.000 179.375 0.625 1
1 650 . 19 1 1 A 52 52 LEU CA C 52 57.600 57.901 -0.301 1
1 651 . 19 1 1 A 52 52 LEU CB C 52 40.800 41.404 -0.604 1
1 655 . 19 1 1 A 52 52 LEU N N 52 118.300 119.909 -1.609 1
1 656 . 19 1 1 A 53 53 ARG H H 53 8.530 8.419 0.111 1
1 657 . 19 1 1 A 53 53 ARG HA H 53 4.820 3.986 0.834 1
1 665 . 19 1 1 A 53 53 ARG C C 53 179.100 179.041 0.059 1
1 666 . 19 1 1 A 53 53 ARG CA C 53 59.300 59.339 -0.039 1
1 667 . 19 1 1 A 53 53 ARG CB C 53 31.900 29.697 2.203 1
1 670 . 19 1 1 A 53 53 ARG N N 53 119.400 118.395 1.005 1
1 672 . 19 1 1 A 54 54 GLU H H 54 9.090 8.097 0.993 1
1 673 . 19 1 1 A 54 54 GLU HA H 54 4.100 4.077 0.023 1
1 678 . 19 1 1 A 54 54 GLU C C 54 178.700 178.087 0.613 1
1 679 . 19 1 1 A 54 54 GLU CA C 54 59.300 58.776 0.524 1
1 680 . 19 1 1 A 54 54 GLU CB C 54 31.000 30.038 0.962 1
1 682 . 19 1 1 A 54 54 GLU N N 54 116.700 119.526 -2.826 1
1 683 . 19 1 1 A 55 55 GLN H H 55 8.760 7.882 0.878 1
1 684 . 19 1 1 A 55 55 GLN HA H 55 4.290 4.105 0.185 1
1 691 . 19 1 1 A 55 55 GLN C C 55 177.700 175.569 2.131 1
1 692 . 19 1 1 A 55 55 GLN CA C 55 55.800 57.473 -1.673 1
1 693 . 19 1 1 A 55 55 GLN CB C 55 28.000 29.554 -1.554 1
1 695 . 19 1 1 A 55 55 GLN N N 55 113.900 119.453 -5.553 1
1 697 . 19 1 1 A 56 56 LEU H H 56 6.650 7.717 -1.067 1
1 698 . 19 1 1 A 56 56 LEU HA H 56 4.700 3.727 0.973 1
1 708 . 19 1 1 A 56 56 LEU C C 56 178.000 176.578 1.422 1
1 709 . 19 1 1 A 56 56 LEU CA C 56 55.300 55.981 -0.681 1
1 710 . 19 1 1 A 56 56 LEU CB C 56 43.800 39.648 4.152 1
1 714 . 19 1 1 A 56 56 LEU N N 56 116.200 120.090 -3.890 1
1 715 . 19 1 1 A 57 57 GLY H H 57 7.160 7.819 -0.659 1
1 716 . 19 1 1 A 57 57 GLY HA2 H 57 4.070 4.024 0.046 1
1 717 . 19 1 1 A 57 57 GLY HA3 H 57 4.070 4.132 -0.062 1
1 718 . 19 1 1 A 57 57 GLY C C 57 175.000 174.870 0.130 1
1 719 . 19 1 1 A 57 57 GLY CA C 57 46.900 45.341 1.559 1
1 720 . 19 1 1 A 57 57 GLY N N 57 109.000 105.378 3.622 1
1 721 . 19 1 1 A 58 58 PHE H H 58 8.480 8.145 0.335 1
1 722 . 19 1 1 A 58 58 PHE HA H 58 4.690 4.500 0.190 1
1 730 . 19 1 1 A 58 58 PHE C C 58 175.700 174.762 0.938 1
1 731 . 19 1 1 A 58 58 PHE CA C 58 57.900 60.314 -2.414 1
1 732 . 19 1 1 A 58 58 PHE CB C 58 39.500 37.808 1.692 1
1 738 . 19 1 1 A 58 58 PHE N N 58 123.100 115.850 7.250 1
1 739 . 19 1 1 A 59 59 GLU H H 59 8.440 8.913 -0.473 1
1 740 . 19 1 1 A 59 59 GLU HA H 59 4.820 4.953 -0.133 1
1 745 . 19 1 1 A 59 59 GLU C C 59 174.700 175.059 -0.359 1
1 746 . 19 1 1 A 59 59 GLU CA C 59 54.600 55.151 -0.551 1
1 747 . 19 1 1 A 59 59 GLU CB C 59 32.800 31.579 1.221 1
1 749 . 19 1 1 A 59 59 GLU N N 59 118.600 123.472 -4.872 1
1 750 . 19 1 1 A 60 60 PHE H H 60 9.110 9.408 -0.298 1
1 751 . 19 1 1 A 60 60 PHE HA H 60 4.470 5.043 -0.573 1
1 759 . 19 1 1 A 60 60 PHE C C 60 175.100 174.936 0.164 1
1 760 . 19 1 1 A 60 60 PHE CA C 60 58.100 56.851 1.249 1
1 761 . 19 1 1 A 60 60 PHE CB C 60 39.900 40.098 -0.198 1
1 767 . 19 1 1 A 60 60 PHE N N 60 124.300 126.434 -2.134 1
1 768 . 19 1 1 A 61 61 LYS H H 61 8.510 8.687 -0.177 1
1 769 . 19 1 1 A 61 61 LYS HA H 61 4.360 4.678 -0.318 1
1 778 . 19 1 1 A 61 61 LYS C C 61 174.700 175.557 -0.857 1
1 779 . 19 1 1 A 61 61 LYS CA C 61 53.800 55.198 -1.398 1
1 780 . 19 1 1 A 61 61 LYS CB C 61 31.300 32.438 -1.138 1
1 784 . 19 1 1 A 61 61 LYS N N 61 124.900 124.198 0.702 1
1 785 . 19 1 1 A 62 62 ASN H H 62 8.400 8.305 0.095 1
1 786 . 19 1 1 A 62 62 ASN HA H 62 4.910 4.718 0.192 1
1 789 . 19 1 1 A 62 62 ASN C C 62 175.500 175.981 -0.481 1
1 790 . 19 1 1 A 62 62 ASN CA C 62 52.400 53.548 -1.148 1
1 791 . 19 1 1 A 62 62 ASN CB C 62 39.400 39.575 -0.175 1
1 792 . 19 1 1 A 62 62 ASN N N 62 121.800 120.873 0.927 1
1 793 . 19 1 1 A 63 63 ALA H H 63 8.960 8.622 0.338 1
1 794 . 19 1 1 A 63 63 ALA HA H 63 4.170 3.980 0.190 1
1 798 . 19 1 1 A 63 63 ALA C C 63 178.200 178.271 -0.071 1
1 799 . 19 1 1 A 63 63 ALA CA C 63 53.300 53.777 -0.477 1
1 800 . 19 1 1 A 63 63 ALA CB C 63 19.300 19.453 -0.153 1
1 801 . 19 1 1 A 63 63 ALA N N 63 126.200 125.610 0.590 1
1 802 . 19 1 1 A 64 64 GLN H H 64 8.570 8.094 0.476 1
1 803 . 19 1 1 A 64 64 GLN HA H 64 4.280 4.269 0.011 1
1 810 . 19 1 1 A 64 64 GLN C C 64 176.200 175.158 1.042 1
1 811 . 19 1 1 A 64 64 GLN CA C 64 56.300 57.939 -1.639 1
1 812 . 19 1 1 A 64 64 GLN CB C 64 29.400 28.469 0.931 1
1 814 . 19 1 1 A 64 64 GLN N N 64 119.900 116.977 2.923 1
1 816 . 19 1 1 A 65 65 LEU H H 65 8.080 8.375 -0.295 1
1 817 . 19 1 1 A 65 65 LEU HA H 65 4.320 4.194 0.126 1
1 827 . 19 1 1 A 65 65 LEU C C 65 177.200 175.626 1.574 1
1 828 . 19 1 1 A 65 65 LEU CA C 65 55.300 55.402 -0.102 1
1 829 . 19 1 1 A 65 65 LEU CB C 65 42.700 42.911 -0.211 1
1 833 . 19 1 1 A 65 65 LEU N N 65 121.700 123.180 -1.480 1
1 834 . 19 1 1 A 66 66 GLU H H 66 8.290 8.551 -0.261 1
1 835 . 19 1 1 A 66 66 GLU HA H 66 4.190 4.744 -0.554 1
1 840 . 19 1 1 A 66 66 GLU C C 66 176.300 174.903 1.397 1
1 841 . 19 1 1 A 66 66 GLU CA C 66 56.800 55.554 1.246 1
1 842 . 19 1 1 A 66 66 GLU CB C 66 30.400 30.182 0.218 1
1 844 . 19 1 1 A 66 66 GLU N N 66 120.400 126.007 -5.607 1
1 845 . 19 1 1 A 67 67 HIS H H 67 8.280 8.806 -0.526 1
1 846 . 19 1 1 A 67 67 HIS HA H 67 4.620 5.118 -0.498 1
1 850 . 19 1 1 A 67 67 HIS C C 67 173.900 173.371 0.529 1
1 851 . 19 1 1 A 67 67 HIS CA C 67 55.900 53.342 2.558 1
1 852 . 19 1 1 A 67 67 HIS CB C 67 30.100 31.311 -1.211 1
1 854 . 19 1 1 A 67 67 HIS N N 67 119.300 125.955 -6.655 1
1 855 . 19 1 1 A 68 68 HIS H H 68 8.180 8.439 -0.259 1
1 856 . 19 1 1 A 68 68 HIS HA H 68 4.440 5.324 -0.884 1
1 859 . 19 1 1 A 68 68 HIS CA C 68 57.300 53.395 3.905 1
1 860 . 19 1 1 A 68 68 HIS CB C 68 30.200 32.583 -2.383 1
1 861 . 19 1 1 A 68 68 HIS N N 68 125.300 121.491 3.809 1
1 2 . 20 1 1 A 2 2 VAL H H 2 8.100 7.578 0.522 1
1 3 . 20 1 1 A 2 2 VAL HA H 2 4.090 4.721 -0.631 1
1 5 . 20 1 1 A 2 2 VAL C C 2 176.500 174.258 2.242 1
1 6 . 20 1 1 A 2 2 VAL CA C 2 62.300 59.887 2.413 1
1 7 . 20 1 1 A 2 2 VAL CB C 2 32.700 34.341 -1.641 1
1 8 . 20 1 1 A 2 2 VAL N N 2 124.800 113.466 11.334 1
1 9 . 20 1 1 A 3 3 GLU H H 3 8.500 9.145 -0.645 1
1 10 . 20 1 1 A 3 3 GLU HA H 3 4.280 4.915 -0.635 1
1 15 . 20 1 1 A 3 3 GLU C C 3 175.900 174.871 1.029 1
1 16 . 20 1 1 A 3 3 GLU CA C 3 56.500 55.036 1.464 1
1 17 . 20 1 1 A 3 3 GLU CB C 3 30.400 31.416 -1.016 1
1 19 . 20 1 1 A 3 3 GLU N N 3 124.200 124.179 0.021 1
1 20 . 20 1 1 A 4 4 ASN H H 4 8.500 9.031 -0.531 1
1 21 . 20 1 1 A 4 4 ASN HA H 4 4.970 5.275 -0.305 1
1 26 . 20 1 1 A 4 4 ASN CA C 4 51.200 49.669 1.531 1
1 27 . 20 1 1 A 4 4 ASN CB C 4 39.000 40.976 -1.976 1
1 28 . 20 1 1 A 4 4 ASN N N 4 120.700 125.838 -5.138 1
1 30 . 20 1 1 A 5 5 PRO HA H 5 4.390 4.559 -0.169 1
1 37 . 20 1 1 A 5 5 PRO C C 5 176.800 176.507 0.293 1
1 38 . 20 1 1 A 5 5 PRO CA C 5 63.500 62.834 0.666 1
1 39 . 20 1 1 A 5 5 PRO CB C 5 32.200 31.576 0.624 1
1 42 . 20 1 1 A 6 6 MET H H 6 8.300 8.495 -0.195 1
1 43 . 20 1 1 A 6 6 MET HA H 6 4.400 4.735 -0.335 1
1 51 . 20 1 1 A 6 6 MET C C 6 176.200 174.418 1.782 1
1 52 . 20 1 1 A 6 6 MET CA C 6 55.800 54.570 1.230 1
1 53 . 20 1 1 A 6 6 MET CB C 6 32.600 32.940 -0.340 1
1 56 . 20 1 1 A 6 6 MET N N 6 119.400 122.454 -3.054 1
1 57 . 20 1 1 A 7 7 VAL H H 7 7.980 8.502 -0.522 1
1 58 . 20 1 1 A 7 7 VAL HA H 7 4.080 4.220 -0.140 1
1 66 . 20 1 1 A 7 7 VAL C C 7 175.800 175.894 -0.094 1
1 67 . 20 1 1 A 7 7 VAL CA C 7 62.400 62.566 -0.166 1
1 68 . 20 1 1 A 7 7 VAL CB C 7 32.800 32.218 0.582 1
1 71 . 20 1 1 A 7 7 VAL N N 7 121.500 126.339 -4.839 1
1 72 . 20 1 1 A 8 8 ILE H H 8 8.140 8.221 -0.081 1
1 73 . 20 1 1 A 8 8 ILE HA H 8 4.120 4.014 0.106 1
1 83 . 20 1 1 A 8 8 ILE C C 8 175.800 175.907 -0.107 1
1 84 . 20 1 1 A 8 8 ILE CA C 8 60.900 61.180 -0.280 1
1 85 . 20 1 1 A 8 8 ILE CB C 8 38.600 38.590 0.010 1
1 89 . 20 1 1 A 8 8 ILE N N 8 124.500 124.881 -0.381 1
1 90 . 20 1 1 A 9 9 ASN H H 9 8.450 8.689 -0.239 1
1 91 . 20 1 1 A 9 9 ASN HA H 9 4.630 4.849 -0.219 1
1 96 . 20 1 1 A 9 9 ASN C C 9 174.700 175.003 -0.303 1
1 97 . 20 1 1 A 9 9 ASN CA C 9 53.200 52.736 0.464 1
1 98 . 20 1 1 A 9 9 ASN CB C 9 39.000 37.342 1.658 1
1 99 . 20 1 1 A 9 9 ASN N N 9 122.700 122.178 0.522 1
1 101 . 20 1 1 A 10 10 ASN H H 10 8.320 8.162 0.158 1
1 102 . 20 1 1 A 10 10 ASN HA H 10 4.680 4.246 0.434 1
1 107 . 20 1 1 A 10 10 ASN C C 10 175.000 173.868 1.132 1
1 108 . 20 1 1 A 10 10 ASN CA C 10 53.100 54.120 -1.020 1
1 109 . 20 1 1 A 10 10 ASN CB C 10 38.700 36.847 1.853 1
1 110 . 20 1 1 A 10 10 ASN N N 10 119.600 111.535 8.065 1
1 112 . 20 1 1 A 11 11 TRP H H 11 8.060 8.121 -0.061 1
1 113 . 20 1 1 A 11 11 TRP HA H 11 4.550 4.961 -0.411 1
1 122 . 20 1 1 A 11 11 TRP C C 11 176.200 175.494 0.706 1
1 123 . 20 1 1 A 11 11 TRP CA C 11 57.800 56.927 0.873 1
1 124 . 20 1 1 A 11 11 TRP CB C 11 29.300 31.647 -2.347 1
1 130 . 20 1 1 A 11 11 TRP N N 11 121.200 119.091 2.109 1
1 132 . 20 1 1 A 12 12 HIS H H 12 7.980 8.064 -0.084 1
1 133 . 20 1 1 A 12 12 HIS HA H 12 4.410 4.713 -0.303 1
1 137 . 20 1 1 A 12 12 HIS C C 12 174.400 174.860 -0.460 1
1 138 . 20 1 1 A 12 12 HIS CA C 12 56.200 55.816 0.384 1
1 139 . 20 1 1 A 12 12 HIS CB C 12 29.600 30.947 -1.347 1
1 141 . 20 1 1 A 12 12 HIS N N 12 119.900 122.788 -2.888 1
1 142 . 20 1 1 A 13 13 ASP H H 13 8.130 8.835 -0.705 1
1 143 . 20 1 1 A 13 13 ASP HA H 13 4.470 4.856 -0.386 1
1 146 . 20 1 1 A 13 13 ASP C C 13 176.100 176.437 -0.337 1
1 147 . 20 1 1 A 13 13 ASP CA C 13 54.700 53.761 0.939 1
1 148 . 20 1 1 A 13 13 ASP CB C 13 41.100 42.596 -1.496 1
1 149 . 20 1 1 A 13 13 ASP N N 13 120.600 120.239 0.361 1
1 150 . 20 1 1 A 14 14 LYS H H 14 8.150 8.850 -0.700 1
1 151 . 20 1 1 A 14 14 LYS HA H 14 4.270 4.387 -0.117 1
1 160 . 20 1 1 A 14 14 LYS C C 14 176.600 176.864 -0.264 1
1 161 . 20 1 1 A 14 14 LYS CA C 14 56.500 57.629 -1.129 1
1 162 . 20 1 1 A 14 14 LYS CB C 14 32.900 33.205 -0.305 1
1 166 . 20 1 1 A 14 14 LYS N N 14 120.900 123.068 -2.168 1
1 167 . 20 1 1 A 15 15 LEU H H 15 8.220 7.540 0.680 1
1 168 . 20 1 1 A 15 15 LEU HA H 15 4.360 4.380 -0.020 1
1 178 . 20 1 1 A 15 15 LEU C C 15 177.600 175.474 2.126 1
1 179 . 20 1 1 A 15 15 LEU CA C 15 55.600 54.311 1.289 1
1 180 . 20 1 1 A 15 15 LEU CB C 15 42.200 40.398 1.802 1
1 184 . 20 1 1 A 15 15 LEU N N 15 122.500 121.243 1.257 1
1 185 . 20 1 1 A 16 16 THR H H 16 8.090 8.013 0.077 1
1 186 . 20 1 1 A 16 16 THR HA H 16 4.340 4.772 -0.432 1
1 191 . 20 1 1 A 16 16 THR C C 16 174.700 173.343 1.357 1
1 192 . 20 1 1 A 16 16 THR CA C 16 61.700 61.001 0.699 1
1 193 . 20 1 1 A 16 16 THR CB C 16 70.000 72.561 -2.561 1
1 195 . 20 1 1 A 16 16 THR N N 16 113.800 118.073 -4.273 1
1 196 . 20 1 1 A 17 17 GLU H H 17 8.400 8.656 -0.256 1
1 197 . 20 1 1 A 17 17 GLU HA H 17 4.330 4.317 0.013 1
1 202 . 20 1 1 A 17 17 GLU C C 17 176.500 176.365 0.135 1
1 203 . 20 1 1 A 17 17 GLU CA C 17 56.900 57.035 -0.135 1
1 204 . 20 1 1 A 17 17 GLU CB C 17 30.200 29.848 0.352 1
1 206 . 20 1 1 A 17 17 GLU N N 17 122.700 123.897 -1.197 1
1 207 . 20 1 1 A 18 18 THR H H 18 8.040 8.435 -0.395 1
1 208 . 20 1 1 A 18 18 THR HA H 18 4.350 4.638 -0.288 1
1 213 . 20 1 1 A 18 18 THR C C 18 174.000 174.803 -0.803 1
1 214 . 20 1 1 A 18 18 THR CA C 18 61.700 61.727 -0.027 1
1 215 . 20 1 1 A 18 18 THR CB C 18 69.800 70.316 -0.516 1
1 217 . 20 1 1 A 18 18 THR N N 18 113.600 116.664 -3.064 1
1 218 . 20 1 1 A 19 19 ASP H H 19 8.290 7.841 0.449 1
1 219 . 20 1 1 A 19 19 ASP HA H 19 4.640 4.693 -0.053 1
1 222 . 20 1 1 A 19 19 ASP C C 19 175.500 175.718 -0.218 1
1 223 . 20 1 1 A 19 19 ASP CA C 19 54.500 54.097 0.403 1
1 224 . 20 1 1 A 19 19 ASP CB C 19 41.200 40.855 0.345 1
1 225 . 20 1 1 A 19 19 ASP N N 19 122.900 119.196 3.704 1
1 226 . 20 1 1 A 20 20 VAL H H 20 7.900 7.414 0.486 1
1 227 . 20 1 1 A 20 20 VAL HA H 20 4.200 4.028 0.172 1
1 235 . 20 1 1 A 20 20 VAL C C 20 175.400 175.193 0.207 1
1 236 . 20 1 1 A 20 20 VAL CA C 20 61.900 62.519 -0.619 1
1 237 . 20 1 1 A 20 20 VAL CB C 20 33.500 30.653 2.847 1
1 240 . 20 1 1 A 20 20 VAL N N 20 119.900 120.931 -1.031 1
1 241 . 20 1 1 A 21 21 GLN H H 21 8.490 7.887 0.603 1
1 242 . 20 1 1 A 21 21 GLN HA H 21 4.510 4.522 -0.012 1
1 249 . 20 1 1 A 21 21 GLN C C 21 173.800 174.942 -1.142 1
1 250 . 20 1 1 A 21 21 GLN CA C 21 54.700 54.877 -0.177 1
1 251 . 20 1 1 A 21 21 GLN CB C 21 31.600 30.014 1.586 1
1 253 . 20 1 1 A 21 21 GLN N N 21 124.800 125.679 -0.879 1
1 255 . 20 1 1 A 22 22 ILE H H 22 8.070 8.418 -0.348 1
1 256 . 20 1 1 A 22 22 ILE HA H 22 4.820 4.629 0.191 1
1 266 . 20 1 1 A 22 22 ILE C C 22 175.500 175.564 -0.064 1
1 267 . 20 1 1 A 22 22 ILE CA C 22 58.700 59.182 -0.482 1
1 268 . 20 1 1 A 22 22 ILE CB C 22 39.800 41.681 -1.881 1
1 272 . 20 1 1 A 22 22 ILE N N 22 120.500 120.820 -0.320 1
1 273 . 20 1 1 A 23 23 ASP H H 23 9.340 8.776 0.564 1
1 274 . 20 1 1 A 23 23 ASP HA H 23 4.570 4.912 -0.342 1
1 277 . 20 1 1 A 23 23 ASP C C 23 178.600 176.229 2.371 1
1 278 . 20 1 1 A 23 23 ASP CA C 23 51.700 52.858 -1.158 1
1 279 . 20 1 1 A 23 23 ASP CB C 23 42.900 41.190 1.710 1
1 280 . 20 1 1 A 23 23 ASP N N 23 128.000 124.806 3.194 1
1 281 . 20 1 1 A 24 24 PHE H H 24 8.860 9.036 -0.176 1
1 282 . 20 1 1 A 24 24 PHE HA H 24 3.960 4.042 -0.082 1
1 290 . 20 1 1 A 24 24 PHE C C 24 175.800 177.273 -1.473 1
1 291 . 20 1 1 A 24 24 PHE CA C 24 61.600 61.894 -0.294 1
1 292 . 20 1 1 A 24 24 PHE CB C 24 41.800 39.194 2.606 1
1 298 . 20 1 1 A 24 24 PHE N N 24 118.500 119.516 -1.016 1
1 299 . 20 1 1 A 25 25 TYR H H 25 8.340 7.857 0.483 1
1 300 . 20 1 1 A 25 25 TYR HA H 25 4.400 4.585 -0.185 1
1 307 . 20 1 1 A 25 25 TYR C C 25 175.700 175.979 -0.279 1
1 308 . 20 1 1 A 25 25 TYR CA C 25 59.200 58.476 0.724 1
1 309 . 20 1 1 A 25 25 TYR CB C 25 38.700 38.566 0.134 1
1 314 . 20 1 1 A 25 25 TYR N N 25 114.500 114.796 -0.296 1
1 315 . 20 1 1 A 26 26 GLY H H 26 8.460 7.635 0.825 1
1 316 . 20 1 1 A 26 26 GLY HA2 H 26 4.230 3.967 0.263 1
1 317 . 20 1 1 A 26 26 GLY HA3 H 26 3.500 3.971 -0.471 1
1 318 . 20 1 1 A 26 26 GLY C C 26 174.700 174.448 0.252 1
1 319 . 20 1 1 A 26 26 GLY CA C 26 45.200 46.359 -1.159 1
1 320 . 20 1 1 A 26 26 GLY N N 26 109.700 108.729 0.971 1
1 321 . 20 1 1 A 27 27 ASP H H 27 8.400 8.068 0.332 1
1 322 . 20 1 1 A 27 27 ASP HA H 27 4.330 4.795 -0.465 1
1 325 . 20 1 1 A 27 27 ASP C C 27 175.700 175.637 0.063 1
1 326 . 20 1 1 A 27 27 ASP CA C 27 56.700 55.329 1.371 1
1 327 . 20 1 1 A 27 27 ASP CB C 27 30.300 41.178 -10.878 1
1 328 . 20 1 1 A 27 27 ASP N N 27 122.700 120.941 1.759 1
1 329 . 20 1 1 A 28 28 GLU H H 28 7.960 7.697 0.263 1
1 330 . 20 1 1 A 28 28 GLU HA H 28 4.280 4.589 -0.309 1
1 335 . 20 1 1 A 28 28 GLU C C 28 175.200 173.952 1.248 1
1 336 . 20 1 1 A 28 28 GLU CA C 28 57.400 56.348 1.052 1
1 337 . 20 1 1 A 28 28 GLU CB C 28 30.500 33.572 -3.072 1
1 339 . 20 1 1 A 28 28 GLU N N 28 126.100 118.143 7.957 1
1 340 . 20 1 1 A 29 29 VAL H H 29 8.550 8.979 -0.429 1
1 341 . 20 1 1 A 29 29 VAL HA H 29 4.180 4.710 -0.530 1
1 349 . 20 1 1 A 29 29 VAL C C 29 176.000 176.032 -0.032 1
1 350 . 20 1 1 A 29 29 VAL CA C 29 61.500 61.355 0.145 1
1 351 . 20 1 1 A 29 29 VAL CB C 29 32.300 33.550 -1.250 1
1 354 . 20 1 1 A 29 29 VAL N N 29 123.500 126.734 -3.234 1
1 355 . 20 1 1 A 30 30 THR H H 30 9.720 9.231 0.489 1
1 356 . 20 1 1 A 30 30 THR HA H 30 5.010 4.923 0.087 1
1 361 . 20 1 1 A 30 30 THR CA C 30 60.800 59.420 1.380 1
1 362 . 20 1 1 A 30 30 THR CB C 30 68.700 69.785 -1.085 1
1 364 . 20 1 1 A 30 30 THR N N 30 122.300 119.922 2.378 1
1 365 . 20 1 1 A 31 31 PRO HA H 31 4.510 4.416 0.094 1
1 372 . 20 1 1 A 31 31 PRO C C 31 176.400 177.086 -0.686 1
1 373 . 20 1 1 A 31 31 PRO CA C 31 65.200 64.623 0.577 1
1 374 . 20 1 1 A 31 31 PRO CB C 31 32.600 31.963 0.637 1
1 377 . 20 1 1 A 32 32 VAL H H 32 6.830 8.158 -1.328 1
1 378 . 20 1 1 A 32 32 VAL HA H 32 4.450 4.340 0.110 1
1 386 . 20 1 1 A 32 32 VAL C C 32 175.700 174.267 1.433 1
1 387 . 20 1 1 A 32 32 VAL CA C 32 60.600 60.855 -0.255 1
1 388 . 20 1 1 A 32 32 VAL CB C 32 31.200 31.600 -0.400 1
1 391 . 20 1 1 A 32 32 VAL N N 32 105.600 114.125 -8.525 1
1 392 . 20 1 1 A 33 33 ASP H H 33 7.800 8.154 -0.354 1
1 393 . 20 1 1 A 33 33 ASP HA H 33 4.910 5.090 -0.180 1
1 396 . 20 1 1 A 33 33 ASP C C 33 174.900 175.366 -0.466 1
1 397 . 20 1 1 A 33 33 ASP CA C 33 55.100 53.120 1.980 1
1 398 . 20 1 1 A 33 33 ASP CB C 33 43.900 43.722 0.178 1
1 399 . 20 1 1 A 33 33 ASP N N 33 122.100 121.787 0.313 1
1 400 . 20 1 1 A 34 34 ASP H H 34 8.810 8.625 0.185 1
1 401 . 20 1 1 A 34 34 ASP HA H 34 5.060 5.176 -0.116 1
1 404 . 20 1 1 A 34 34 ASP C C 34 176.500 175.049 1.451 1
1 405 . 20 1 1 A 34 34 ASP CA C 34 53.700 53.429 0.271 1
1 406 . 20 1 1 A 34 34 ASP CB C 34 41.600 41.959 -0.359 1
1 407 . 20 1 1 A 34 34 ASP N N 34 121.800 121.735 0.065 1
1 408 . 20 1 1 A 35 35 TYR H H 35 8.570 8.448 0.122 1
1 409 . 20 1 1 A 35 35 TYR HA H 35 5.220 5.386 -0.166 1
1 416 . 20 1 1 A 35 35 TYR C C 35 171.800 172.923 -1.123 1
1 417 . 20 1 1 A 35 35 TYR CA C 35 56.300 55.959 0.341 1
1 418 . 20 1 1 A 35 35 TYR CB C 35 40.700 41.624 -0.924 1
1 423 . 20 1 1 A 35 35 TYR N N 35 117.900 119.664 -1.764 1
1 424 . 20 1 1 A 36 36 VAL H H 36 9.340 8.719 0.621 1
1 425 . 20 1 1 A 36 36 VAL HA H 36 4.660 4.668 -0.008 1
1 433 . 20 1 1 A 36 36 VAL C C 36 173.300 174.707 -1.407 1
1 434 . 20 1 1 A 36 36 VAL CA C 36 59.300 60.239 -0.939 1
1 435 . 20 1 1 A 36 36 VAL CB C 36 35.100 35.607 -0.507 1
1 438 . 20 1 1 A 36 36 VAL N N 36 120.700 119.316 1.384 1
1 439 . 20 1 1 A 37 37 ILE H H 37 8.820 8.869 -0.049 1
1 440 . 20 1 1 A 37 37 ILE HA H 37 4.820 5.184 -0.364 1
1 450 . 20 1 1 A 37 37 ILE C C 37 175.500 174.764 0.736 1
1 451 . 20 1 1 A 37 37 ILE CA C 37 59.700 60.521 -0.821 1
1 452 . 20 1 1 A 37 37 ILE CB C 37 40.600 39.346 1.254 1
1 456 . 20 1 1 A 37 37 ILE N N 37 124.100 127.340 -3.240 1
1 457 . 20 1 1 A 38 38 ASP H H 38 8.280 8.976 -0.696 1
1 458 . 20 1 1 A 38 38 ASP HA H 38 4.430 4.977 -0.547 1
1 461 . 20 1 1 A 38 38 ASP C C 38 177.000 176.929 0.071 1
1 462 . 20 1 1 A 38 38 ASP CA C 38 51.400 53.610 -2.210 1
1 463 . 20 1 1 A 38 38 ASP CB C 38 41.200 39.248 1.952 1
1 464 . 20 1 1 A 38 38 ASP N N 38 126.600 129.026 -2.426 1
1 465 . 20 1 1 A 39 39 GLY H H 39 8.910 8.407 0.503 1
1 466 . 20 1 1 A 39 39 GLY HA2 H 39 3.640 3.823 -0.183 1
1 467 . 20 1 1 A 39 39 GLY HA3 H 39 3.850 3.828 0.022 1
1 468 . 20 1 1 A 39 39 GLY C C 39 174.500 174.903 -0.403 1
1 469 . 20 1 1 A 39 39 GLY CA C 39 47.600 45.934 1.666 1
1 470 . 20 1 1 A 39 39 GLY N N 39 114.900 114.457 0.443 1
1 471 . 20 1 1 A 40 40 GLY H H 40 8.220 8.592 -0.372 1
1 472 . 20 1 1 A 40 40 GLY HA2 H 40 3.900 4.069 -0.169 1
1 473 . 20 1 1 A 40 40 GLY HA3 H 40 3.900 4.073 -0.173 1
1 474 . 20 1 1 A 40 40 GLY C C 40 173.900 174.698 -0.798 1
1 475 . 20 1 1 A 40 40 GLY CA C 40 45.000 45.295 -0.295 1
1 476 . 20 1 1 A 40 40 GLY N N 40 112.200 107.499 4.701 1
1 477 . 20 1 1 A 41 41 GLU H H 41 7.770 7.773 -0.003 1
1 478 . 20 1 1 A 41 41 GLU HA H 41 4.750 4.465 0.285 1
1 483 . 20 1 1 A 41 41 GLU C C 41 174.800 175.808 -1.008 1
1 484 . 20 1 1 A 41 41 GLU CA C 41 54.300 56.403 -2.103 1
1 485 . 20 1 1 A 41 41 GLU CB C 41 30.300 30.626 -0.326 1
1 487 . 20 1 1 A 41 41 GLU N N 41 120.200 120.622 -0.422 1
1 488 . 20 1 1 A 42 42 ILE H H 42 8.720 8.760 -0.040 1
1 489 . 20 1 1 A 42 42 ILE HA H 42 4.780 4.723 0.057 1
1 499 . 20 1 1 A 42 42 ILE C C 42 174.800 175.434 -0.634 1
1 500 . 20 1 1 A 42 42 ILE CA C 42 59.200 59.993 -0.793 1
1 501 . 20 1 1 A 42 42 ILE CB C 42 40.300 38.433 1.867 1
1 505 . 20 1 1 A 42 42 ILE N N 42 122.000 124.560 -2.560 1
1 506 . 20 1 1 A 43 43 ILE H H 43 9.230 9.155 0.075 1
1 507 . 20 1 1 A 43 43 ILE HA H 43 4.480 4.617 -0.137 1
1 517 . 20 1 1 A 43 43 ILE C C 43 176.400 175.685 0.715 1
1 518 . 20 1 1 A 43 43 ILE CA C 43 61.000 59.974 1.026 1
1 519 . 20 1 1 A 43 43 ILE CB C 43 42.300 40.992 1.308 1
1 523 . 20 1 1 A 43 43 ILE N N 43 126.400 127.530 -1.130 1
1 524 . 20 1 1 A 44 44 LEU H H 44 10.930 8.583 2.347 1
1 525 . 20 1 1 A 44 44 LEU HA H 44 4.280 4.265 0.015 1
1 535 . 20 1 1 A 44 44 LEU C C 44 179.300 178.305 0.995 1
1 536 . 20 1 1 A 44 44 LEU CA C 44 56.500 55.864 0.636 1
1 537 . 20 1 1 A 44 44 LEU CB C 44 42.600 43.502 -0.902 1
1 541 . 20 1 1 A 44 44 LEU N N 44 130.900 128.761 2.139 1
1 542 . 20 1 1 A 45 45 ARG H H 45 8.610 9.002 -0.392 1
1 543 . 20 1 1 A 45 45 ARG HA H 45 3.890 3.986 -0.096 1
1 551 . 20 1 1 A 45 45 ARG C C 45 179.300 178.378 0.922 1
1 552 . 20 1 1 A 45 45 ARG CA C 45 60.200 59.265 0.935 1
1 553 . 20 1 1 A 45 45 ARG CB C 45 29.400 29.918 -0.518 1
1 556 . 20 1 1 A 45 45 ARG N N 45 125.400 126.403 -1.003 1
1 558 . 20 1 1 A 46 46 GLU H H 46 9.020 8.005 1.015 1
1 559 . 20 1 1 A 46 46 GLU HA H 46 4.210 4.081 0.129 1
1 564 . 20 1 1 A 46 46 GLU C C 46 176.700 178.007 -1.307 1
1 565 . 20 1 1 A 46 46 GLU CA C 46 59.000 59.362 -0.362 1
1 566 . 20 1 1 A 46 46 GLU CB C 46 29.600 29.310 0.290 1
1 568 . 20 1 1 A 46 46 GLU N N 46 117.500 119.322 -1.822 1
1 569 . 20 1 1 A 47 47 ASN H H 47 7.870 7.713 0.157 1
1 570 . 20 1 1 A 47 47 ASN HA H 47 5.100 4.853 0.247 1
1 573 . 20 1 1 A 47 47 ASN C C 47 175.200 176.514 -1.314 1
1 574 . 20 1 1 A 47 47 ASN CA C 47 52.800 53.747 -0.947 1
1 575 . 20 1 1 A 47 47 ASN CB C 47 40.500 39.329 1.171 1
1 576 . 20 1 1 A 47 47 ASN N N 47 115.900 115.755 0.145 1
1 577 . 20 1 1 A 48 48 LEU H H 48 7.760 7.864 -0.104 1
1 578 . 20 1 1 A 48 48 LEU HA H 48 4.060 4.137 -0.077 1
1 588 . 20 1 1 A 48 48 LEU C C 48 177.200 178.836 -1.636 1
1 589 . 20 1 1 A 48 48 LEU CA C 48 59.000 57.690 1.310 1
1 590 . 20 1 1 A 48 48 LEU CB C 48 42.800 41.890 0.910 1
1 594 . 20 1 1 A 48 48 LEU N N 48 122.300 121.740 0.560 1
1 595 . 20 1 1 A 49 49 GLU H H 49 8.770 8.312 0.458 1
1 596 . 20 1 1 A 49 49 GLU HA H 49 3.670 4.038 -0.368 1
1 601 . 20 1 1 A 49 49 GLU C C 49 176.200 179.489 -3.289 1
1 602 . 20 1 1 A 49 49 GLU CA C 49 61.300 59.617 1.683 1
1 603 . 20 1 1 A 49 49 GLU CB C 49 28.200 29.116 -0.916 1
1 605 . 20 1 1 A 49 49 GLU N N 49 118.800 119.454 -0.654 1
1 606 . 20 1 1 A 50 50 ARG H H 50 8.000 8.141 -0.141 1
1 607 . 20 1 1 A 50 50 ARG HA H 50 3.860 4.091 -0.231 1
1 615 . 20 1 1 A 50 50 ARG C C 50 174.100 178.969 -4.869 1
1 616 . 20 1 1 A 50 50 ARG CA C 50 60.100 59.013 1.087 1
1 617 . 20 1 1 A 50 50 ARG CB C 50 29.900 29.902 -0.002 1
1 620 . 20 1 1 A 50 50 ARG N N 50 119.100 120.788 -1.688 1
1 622 . 20 1 1 A 51 51 TYR H H 51 8.250 8.146 0.104 1
1 623 . 20 1 1 A 51 51 TYR HA H 51 4.610 4.336 0.274 1
1 630 . 20 1 1 A 51 51 TYR C C 51 178.500 178.439 0.061 1
1 631 . 20 1 1 A 51 51 TYR CA C 51 61.700 60.581 1.119 1
1 632 . 20 1 1 A 51 51 TYR CB C 51 40.000 37.948 2.052 1
1 637 . 20 1 1 A 51 51 TYR N N 51 120.400 119.636 0.764 1
1 638 . 20 1 1 A 52 52 LEU H H 52 9.030 8.678 0.352 1
1 639 . 20 1 1 A 52 52 LEU HA H 52 3.690 3.949 -0.259 1
1 649 . 20 1 1 A 52 52 LEU C C 52 180.000 179.427 0.573 1
1 650 . 20 1 1 A 52 52 LEU CA C 52 57.600 57.823 -0.223 1
1 651 . 20 1 1 A 52 52 LEU CB C 52 40.800 41.143 -0.343 1
1 655 . 20 1 1 A 52 52 LEU N N 52 118.300 120.198 -1.898 1
1 656 . 20 1 1 A 53 53 ARG H H 53 8.530 7.718 0.812 1
1 657 . 20 1 1 A 53 53 ARG HA H 53 4.820 3.910 0.910 1
1 665 . 20 1 1 A 53 53 ARG C C 53 179.100 178.487 0.613 1
1 666 . 20 1 1 A 53 53 ARG CA C 53 59.300 59.700 -0.400 1
1 667 . 20 1 1 A 53 53 ARG CB C 53 31.900 29.694 2.206 1
1 670 . 20 1 1 A 53 53 ARG N N 53 119.400 120.534 -1.134 1
1 672 . 20 1 1 A 54 54 GLU H H 54 9.090 7.964 1.126 1
1 673 . 20 1 1 A 54 54 GLU HA H 54 4.100 4.203 -0.103 1
1 678 . 20 1 1 A 54 54 GLU C C 54 178.700 178.636 0.064 1
1 679 . 20 1 1 A 54 54 GLU CA C 54 59.300 58.739 0.561 1
1 680 . 20 1 1 A 54 54 GLU CB C 54 31.000 30.191 0.809 1
1 682 . 20 1 1 A 54 54 GLU N N 54 116.700 118.214 -1.514 1
1 683 . 20 1 1 A 55 55 GLN H H 55 8.760 8.001 0.759 1
1 684 . 20 1 1 A 55 55 GLN HA H 55 4.290 4.550 -0.260 1
1 691 . 20 1 1 A 55 55 GLN C C 55 177.700 176.674 1.026 1
1 692 . 20 1 1 A 55 55 GLN CA C 55 55.800 55.864 -0.064 1
1 693 . 20 1 1 A 55 55 GLN CB C 55 28.000 30.398 -2.398 1
1 695 . 20 1 1 A 55 55 GLN N N 55 113.900 115.282 -1.382 1
1 697 . 20 1 1 A 56 56 LEU H H 56 6.650 8.456 -1.806 1
1 698 . 20 1 1 A 56 56 LEU HA H 56 4.700 3.954 0.746 1
1 708 . 20 1 1 A 56 56 LEU C C 56 178.000 175.687 2.313 1
1 709 . 20 1 1 A 56 56 LEU CA C 56 55.300 55.903 -0.603 1
1 710 . 20 1 1 A 56 56 LEU CB C 56 43.800 41.255 2.545 1
1 714 . 20 1 1 A 56 56 LEU N N 56 116.200 120.734 -4.534 1
1 715 . 20 1 1 A 57 57 GLY H H 57 7.160 8.426 -1.266 1
1 716 . 20 1 1 A 57 57 GLY HA2 H 57 4.070 3.505 0.565 1
1 717 . 20 1 1 A 57 57 GLY HA3 H 57 4.070 3.717 0.353 1
1 718 . 20 1 1 A 57 57 GLY C C 57 175.000 173.673 1.327 1
1 719 . 20 1 1 A 57 57 GLY CA C 57 46.900 45.222 1.678 1
1 720 . 20 1 1 A 57 57 GLY N N 57 109.000 104.864 4.136 1
1 721 . 20 1 1 A 58 58 PHE H H 58 8.480 7.258 1.222 1
1 722 . 20 1 1 A 58 58 PHE HA H 58 4.690 4.307 0.383 1
1 730 . 20 1 1 A 58 58 PHE C C 58 175.700 174.707 0.993 1
1 731 . 20 1 1 A 58 58 PHE CA C 58 57.900 57.985 -0.085 1
1 732 . 20 1 1 A 58 58 PHE CB C 58 39.500 39.117 0.383 1
1 738 . 20 1 1 A 58 58 PHE N N 58 123.100 119.728 3.372 1
1 739 . 20 1 1 A 59 59 GLU H H 59 8.440 8.767 -0.327 1
1 740 . 20 1 1 A 59 59 GLU HA H 59 4.820 4.630 0.190 1
1 745 . 20 1 1 A 59 59 GLU C C 59 174.700 175.032 -0.332 1
1 746 . 20 1 1 A 59 59 GLU CA C 59 54.600 55.224 -0.624 1
1 747 . 20 1 1 A 59 59 GLU CB C 59 32.800 30.338 2.462 1
1 749 . 20 1 1 A 59 59 GLU N N 59 118.600 124.375 -5.775 1
1 750 . 20 1 1 A 60 60 PHE H H 60 9.110 9.108 0.002 1
1 751 . 20 1 1 A 60 60 PHE HA H 60 4.470 4.857 -0.387 1
1 759 . 20 1 1 A 60 60 PHE C C 60 175.100 175.311 -0.211 1
1 760 . 20 1 1 A 60 60 PHE CA C 60 58.100 58.208 -0.108 1
1 761 . 20 1 1 A 60 60 PHE CB C 60 39.900 38.571 1.329 1
1 767 . 20 1 1 A 60 60 PHE N N 60 124.300 127.121 -2.821 1
1 768 . 20 1 1 A 61 61 LYS H H 61 8.510 8.934 -0.424 1
1 769 . 20 1 1 A 61 61 LYS HA H 61 4.360 4.769 -0.409 1
1 778 . 20 1 1 A 61 61 LYS C C 61 174.700 175.113 -0.413 1
1 779 . 20 1 1 A 61 61 LYS CA C 61 53.800 55.575 -1.775 1
1 780 . 20 1 1 A 61 61 LYS CB C 61 31.300 34.747 -3.447 1
1 784 . 20 1 1 A 61 61 LYS N N 61 124.900 126.033 -1.133 1
1 785 . 20 1 1 A 62 62 ASN H H 62 8.400 8.558 -0.158 1
1 786 . 20 1 1 A 62 62 ASN HA H 62 4.910 5.245 -0.335 1
1 789 . 20 1 1 A 62 62 ASN C C 62 175.500 175.519 -0.019 1
1 790 . 20 1 1 A 62 62 ASN CA C 62 52.400 52.323 0.077 1
1 791 . 20 1 1 A 62 62 ASN CB C 62 39.400 41.665 -2.265 1
1 792 . 20 1 1 A 62 62 ASN N N 62 121.800 120.454 1.346 1
1 793 . 20 1 1 A 63 63 ALA H H 63 8.960 8.835 0.125 1
1 794 . 20 1 1 A 63 63 ALA HA H 63 4.170 3.984 0.186 1
1 798 . 20 1 1 A 63 63 ALA C C 63 178.200 177.842 0.358 1
1 799 . 20 1 1 A 63 63 ALA CA C 63 53.300 54.894 -1.594 1
1 800 . 20 1 1 A 63 63 ALA CB C 63 19.300 18.828 0.472 1
1 801 . 20 1 1 A 63 63 ALA N N 63 126.200 127.443 -1.243 1
1 802 . 20 1 1 A 64 64 GLN H H 64 8.570 7.826 0.744 1
1 803 . 20 1 1 A 64 64 GLN HA H 64 4.280 4.129 0.151 1
1 810 . 20 1 1 A 64 64 GLN C C 64 176.200 175.553 0.647 1
1 811 . 20 1 1 A 64 64 GLN CA C 64 56.300 56.902 -0.602 1
1 812 . 20 1 1 A 64 64 GLN CB C 64 29.400 25.790 3.610 1
1 814 . 20 1 1 A 64 64 GLN N N 64 119.900 113.181 6.719 1
1 816 . 20 1 1 A 65 65 LEU H H 65 8.080 8.142 -0.062 1
1 817 . 20 1 1 A 65 65 LEU HA H 65 4.320 4.012 0.308 1
1 827 . 20 1 1 A 65 65 LEU C C 65 177.200 176.482 0.718 1
1 828 . 20 1 1 A 65 65 LEU CA C 65 55.300 56.490 -1.190 1
1 829 . 20 1 1 A 65 65 LEU CB C 65 42.700 42.247 0.453 1
1 833 . 20 1 1 A 65 65 LEU N N 65 121.700 119.538 2.162 1
1 834 . 20 1 1 A 66 66 GLU H H 66 8.290 7.796 0.494 1
1 835 . 20 1 1 A 66 66 GLU HA H 66 4.190 3.931 0.259 1
1 840 . 20 1 1 A 66 66 GLU C C 66 176.300 175.623 0.677 1
1 841 . 20 1 1 A 66 66 GLU CA C 66 56.800 58.083 -1.283 1
1 842 . 20 1 1 A 66 66 GLU CB C 66 30.400 27.675 2.725 1
1 844 . 20 1 1 A 66 66 GLU N N 66 120.400 115.603 4.797 1
1 845 . 20 1 1 A 67 67 HIS H H 67 8.280 7.834 0.446 1
1 846 . 20 1 1 A 67 67 HIS HA H 67 4.620 4.305 0.315 1
1 850 . 20 1 1 A 67 67 HIS C C 67 173.900 175.907 -2.007 1
1 851 . 20 1 1 A 67 67 HIS CA C 67 55.900 56.928 -1.028 1
1 852 . 20 1 1 A 67 67 HIS CB C 67 30.100 30.034 0.066 1
1 854 . 20 1 1 A 67 67 HIS N N 67 119.300 119.178 0.122 1
1 855 . 20 1 1 A 68 68 HIS H H 68 8.180 9.195 -1.015 1
1 856 . 20 1 1 A 68 68 HIS HA H 68 4.440 4.010 0.430 1
1 859 . 20 1 1 A 68 68 HIS CA C 68 57.300 58.180 -0.880 1
1 860 . 20 1 1 A 68 68 HIS CB C 68 30.200 27.478 2.722 1
1 861 . 20 1 1 A 68 68 HIS N N 68 125.300 117.409 7.891 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 64 1.247 1
2 1 1 1 "RMS(OBS, PRED)" CA 67 1.418 1
3 1 1 1 "RMS(OBS, PRED)" CB 63 2.231 1
4 1 1 1 "RMS(OBS, PRED)" H 65 0.613 1
5 1 1 1 "RMS(OBS, PRED)" HA 71 0.387 1
6 1 1 1 "RMS(OBS, PRED)" N 65 3.396 1
7 1 2 1 "RMS(OBS, PRED)" C 64 1.240 1
8 1 2 1 "RMS(OBS, PRED)" CA 67 1.203 1
9 1 2 1 "RMS(OBS, PRED)" CB 63 2.062 1
10 1 2 1 "RMS(OBS, PRED)" H 65 0.627 1
11 1 2 1 "RMS(OBS, PRED)" HA 71 0.364 1
12 1 2 1 "RMS(OBS, PRED)" N 65 3.831 1
13 1 3 1 "RMS(OBS, PRED)" C 64 1.240 1
14 1 3 1 "RMS(OBS, PRED)" CA 67 1.366 1
15 1 3 1 "RMS(OBS, PRED)" CB 63 2.223 1
16 1 3 1 "RMS(OBS, PRED)" H 65 0.629 1
17 1 3 1 "RMS(OBS, PRED)" HA 71 0.356 1
18 1 3 1 "RMS(OBS, PRED)" N 65 3.622 1
19 1 4 1 "RMS(OBS, PRED)" C 64 1.349 1
20 1 4 1 "RMS(OBS, PRED)" CA 67 1.429 1
21 1 4 1 "RMS(OBS, PRED)" CB 63 2.259 1
22 1 4 1 "RMS(OBS, PRED)" H 65 0.617 1
23 1 4 1 "RMS(OBS, PRED)" HA 71 0.375 1
24 1 4 1 "RMS(OBS, PRED)" N 65 3.247 1
25 1 5 1 "RMS(OBS, PRED)" C 64 1.286 1
26 1 5 1 "RMS(OBS, PRED)" CA 67 1.542 1
27 1 5 1 "RMS(OBS, PRED)" CB 63 2.168 1
28 1 5 1 "RMS(OBS, PRED)" H 65 0.618 1
29 1 5 1 "RMS(OBS, PRED)" HA 71 0.355 1
30 1 5 1 "RMS(OBS, PRED)" N 65 3.387 1
31 1 6 1 "RMS(OBS, PRED)" C 64 1.188 1
32 1 6 1 "RMS(OBS, PRED)" CA 67 1.348 1
33 1 6 1 "RMS(OBS, PRED)" CB 63 2.226 1
34 1 6 1 "RMS(OBS, PRED)" H 65 0.634 1
35 1 6 1 "RMS(OBS, PRED)" HA 71 0.349 1
36 1 6 1 "RMS(OBS, PRED)" N 65 3.253 1
37 1 7 1 "RMS(OBS, PRED)" C 64 1.149 1
38 1 7 1 "RMS(OBS, PRED)" CA 67 1.200 1
39 1 7 1 "RMS(OBS, PRED)" CB 63 2.028 1
40 1 7 1 "RMS(OBS, PRED)" H 65 0.634 1
41 1 7 1 "RMS(OBS, PRED)" HA 71 0.321 1
42 1 7 1 "RMS(OBS, PRED)" N 65 3.507 1
43 1 8 1 "RMS(OBS, PRED)" C 64 1.146 1
44 1 8 1 "RMS(OBS, PRED)" CA 67 1.311 1
45 1 8 1 "RMS(OBS, PRED)" CB 63 2.013 1
46 1 8 1 "RMS(OBS, PRED)" H 65 0.597 1
47 1 8 1 "RMS(OBS, PRED)" HA 71 0.329 1
48 1 8 1 "RMS(OBS, PRED)" N 65 3.342 1
49 1 9 1 "RMS(OBS, PRED)" C 64 1.122 1
50 1 9 1 "RMS(OBS, PRED)" CA 67 1.175 1
51 1 9 1 "RMS(OBS, PRED)" CB 63 2.128 1
52 1 9 1 "RMS(OBS, PRED)" H 65 0.657 1
53 1 9 1 "RMS(OBS, PRED)" HA 71 0.304 1
54 1 9 1 "RMS(OBS, PRED)" N 65 3.492 1
55 1 10 1 "RMS(OBS, PRED)" C 64 1.260 1
56 1 10 1 "RMS(OBS, PRED)" CA 67 1.262 1
57 1 10 1 "RMS(OBS, PRED)" CB 63 1.970 1
58 1 10 1 "RMS(OBS, PRED)" H 65 0.604 1
59 1 10 1 "RMS(OBS, PRED)" HA 71 0.312 1
60 1 10 1 "RMS(OBS, PRED)" N 65 3.892 1
61 1 11 1 "RMS(OBS, PRED)" C 64 1.189 1
62 1 11 1 "RMS(OBS, PRED)" CA 67 1.339 1
63 1 11 1 "RMS(OBS, PRED)" CB 63 1.997 1
64 1 11 1 "RMS(OBS, PRED)" H 65 0.614 1
65 1 11 1 "RMS(OBS, PRED)" HA 71 0.330 1
66 1 11 1 "RMS(OBS, PRED)" N 65 3.416 1
67 1 12 1 "RMS(OBS, PRED)" C 64 1.195 1
68 1 12 1 "RMS(OBS, PRED)" CA 67 1.377 1
69 1 12 1 "RMS(OBS, PRED)" CB 63 2.093 1
70 1 12 1 "RMS(OBS, PRED)" H 65 0.611 1
71 1 12 1 "RMS(OBS, PRED)" HA 71 0.367 1
72 1 12 1 "RMS(OBS, PRED)" N 65 3.627 1
73 1 13 1 "RMS(OBS, PRED)" C 64 1.182 1
74 1 13 1 "RMS(OBS, PRED)" CA 67 1.406 1
75 1 13 1 "RMS(OBS, PRED)" CB 63 2.059 1
76 1 13 1 "RMS(OBS, PRED)" H 65 0.607 1
77 1 13 1 "RMS(OBS, PRED)" HA 71 0.329 1
78 1 13 1 "RMS(OBS, PRED)" N 65 3.726 1
79 1 14 1 "RMS(OBS, PRED)" C 64 1.210 1
80 1 14 1 "RMS(OBS, PRED)" CA 67 1.360 1
81 1 14 1 "RMS(OBS, PRED)" CB 63 2.055 1
82 1 14 1 "RMS(OBS, PRED)" H 65 0.626 1
83 1 14 1 "RMS(OBS, PRED)" HA 71 0.384 1
84 1 14 1 "RMS(OBS, PRED)" N 65 3.452 1
85 1 15 1 "RMS(OBS, PRED)" C 64 1.273 1
86 1 15 1 "RMS(OBS, PRED)" CA 67 1.374 1
87 1 15 1 "RMS(OBS, PRED)" CB 63 2.076 1
88 1 15 1 "RMS(OBS, PRED)" H 65 0.618 1
89 1 15 1 "RMS(OBS, PRED)" HA 71 0.376 1
90 1 15 1 "RMS(OBS, PRED)" N 65 3.754 1
91 1 16 1 "RMS(OBS, PRED)" C 64 1.302 1
92 1 16 1 "RMS(OBS, PRED)" CA 67 1.328 1
93 1 16 1 "RMS(OBS, PRED)" CB 63 2.282 1
94 1 16 1 "RMS(OBS, PRED)" H 65 0.656 1
95 1 16 1 "RMS(OBS, PRED)" HA 71 0.345 1
96 1 16 1 "RMS(OBS, PRED)" N 65 3.505 1
97 1 17 1 "RMS(OBS, PRED)" C 64 1.231 1
98 1 17 1 "RMS(OBS, PRED)" CA 67 1.248 1
99 1 17 1 "RMS(OBS, PRED)" CB 63 2.053 1
100 1 17 1 "RMS(OBS, PRED)" H 65 0.605 1
101 1 17 1 "RMS(OBS, PRED)" HA 71 0.292 1
102 1 17 1 "RMS(OBS, PRED)" N 65 3.266 1
103 1 18 1 "RMS(OBS, PRED)" C 64 1.169 1
104 1 18 1 "RMS(OBS, PRED)" CA 67 1.349 1
105 1 18 1 "RMS(OBS, PRED)" CB 63 2.089 1
106 1 18 1 "RMS(OBS, PRED)" H 65 0.629 1
107 1 18 1 "RMS(OBS, PRED)" HA 71 0.348 1
108 1 18 1 "RMS(OBS, PRED)" N 65 3.595 1
109 1 19 1 "RMS(OBS, PRED)" C 64 1.170 1
110 1 19 1 "RMS(OBS, PRED)" CA 67 1.458 1
111 1 19 1 "RMS(OBS, PRED)" CB 63 1.972 1
112 1 19 1 "RMS(OBS, PRED)" H 65 0.626 1
113 1 19 1 "RMS(OBS, PRED)" HA 71 0.346 1
114 1 19 1 "RMS(OBS, PRED)" N 65 3.420 1
115 1 20 1 "RMS(OBS, PRED)" C 64 1.254 1
116 1 20 1 "RMS(OBS, PRED)" CA 67 1.046 1
117 1 20 1 "RMS(OBS, PRED)" CB 63 2.129 1
118 1 20 1 "RMS(OBS, PRED)" H 65 0.654 1
119 1 20 1 "RMS(OBS, PRED)" HA 71 0.322 1
120 1 20 1 "RMS(OBS, PRED)" N 65 3.510 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 2 . 1 1 A 2 2 VAL H H 2 8.100 8.287 -0.187 2
1 3 . 1 1 A 2 2 VAL HA H 2 4.090 4.388 -0.297 2
1 5 . 1 1 A 2 2 VAL C C 2 176.500 175.483 1.017 2
1 6 . 1 1 A 2 2 VAL CA C 2 62.300 61.765 0.535 2
1 7 . 1 1 A 2 2 VAL CB C 2 32.700 32.593 0.107 2
1 8 . 1 1 A 2 2 VAL N N 2 124.800 118.819 5.981 2
1 9 . 1 1 A 3 3 GLU H H 3 8.500 8.293 0.207 2
1 10 . 1 1 A 3 3 GLU HA H 3 4.280 4.572 -0.292 2
1 15 . 1 1 A 3 3 GLU C C 3 175.900 175.727 0.173 2
1 16 . 1 1 A 3 3 GLU CA C 3 56.500 56.218 0.282 2
1 17 . 1 1 A 3 3 GLU CB C 3 30.400 30.944 -0.544 2
1 19 . 1 1 A 3 3 GLU N N 3 124.200 122.217 1.983 2
1 20 . 1 1 A 4 4 ASN H H 4 8.500 8.486 0.014 2
1 21 . 1 1 A 4 4 ASN HA H 4 4.970 5.045 -0.075 2
1 26 . 1 1 A 4 4 ASN CA C 4 51.200 51.215 -0.015 2
1 27 . 1 1 A 4 4 ASN CB C 4 39.000 39.462 -0.462 2
1 28 . 1 1 A 4 4 ASN N N 4 120.700 119.812 0.888 2
1 30 . 1 1 A 5 5 PRO HA H 5 4.390 4.551 -0.161 2
1 37 . 1 1 A 5 5 PRO C C 5 176.800 176.518 0.282 2
1 38 . 1 1 A 5 5 PRO CA C 5 63.500 63.255 0.245 2
1 39 . 1 1 A 5 5 PRO CB C 5 32.200 31.646 0.554 2
1 42 . 1 1 A 6 6 MET H H 6 8.300 8.199 0.101 2
1 43 . 1 1 A 6 6 MET HA H 6 4.400 4.615 -0.215 2
1 51 . 1 1 A 6 6 MET C C 6 176.200 175.782 0.417 2
1 52 . 1 1 A 6 6 MET CA C 6 55.800 54.945 0.855 2
1 53 . 1 1 A 6 6 MET CB C 6 32.600 32.635 -0.035 2
1 56 . 1 1 A 6 6 MET N N 6 119.400 120.069 -0.669 2
1 57 . 1 1 A 7 7 VAL H H 7 7.980 8.312 -0.332 2
1 58 . 1 1 A 7 7 VAL HA H 7 4.080 4.219 -0.139 2
1 66 . 1 1 A 7 7 VAL C C 7 175.800 175.568 0.232 2
1 67 . 1 1 A 7 7 VAL CA C 7 62.400 62.604 -0.204 2
1 68 . 1 1 A 7 7 VAL CB C 7 32.800 32.097 0.703 2
1 71 . 1 1 A 7 7 VAL N N 7 121.500 121.959 -0.459 2
1 72 . 1 1 A 8 8 ILE H H 8 8.140 8.092 0.048 2
1 73 . 1 1 A 8 8 ILE HA H 8 4.120 4.456 -0.336 2
1 83 . 1 1 A 8 8 ILE C C 8 175.800 175.251 0.549 2
1 84 . 1 1 A 8 8 ILE CA C 8 60.900 60.403 0.497 2
1 85 . 1 1 A 8 8 ILE CB C 8 38.600 39.179 -0.579 2
1 89 . 1 1 A 8 8 ILE N N 8 124.500 123.460 1.040 2
1 90 . 1 1 A 9 9 ASN H H 9 8.450 8.642 -0.192 2
1 91 . 1 1 A 9 9 ASN HA H 9 4.630 4.831 -0.201 2
1 96 . 1 1 A 9 9 ASN C C 9 174.700 174.873 -0.173 2
1 97 . 1 1 A 9 9 ASN CA C 9 53.200 53.128 0.072 2
1 98 . 1 1 A 9 9 ASN CB C 9 39.000 39.115 -0.115 2
1 99 . 1 1 A 9 9 ASN N N 9 122.700 123.589 -0.889 2
1 101 . 1 1 A 10 10 ASN H H 10 8.320 8.349 -0.029 2
1 102 . 1 1 A 10 10 ASN HA H 10 4.680 4.781 -0.101 2
1 107 . 1 1 A 10 10 ASN C C 10 175.000 174.901 0.099 2
1 108 . 1 1 A 10 10 ASN CA C 10 53.100 52.894 0.206 2
1 109 . 1 1 A 10 10 ASN CB C 10 38.700 39.310 -0.610 2
1 110 . 1 1 A 10 10 ASN N N 10 119.600 118.938 0.662 2
1 112 . 1 1 A 11 11 TRP H H 11 8.060 8.370 -0.310 2
1 113 . 1 1 A 11 11 TRP HA H 11 4.550 4.617 -0.067 2
1 122 . 1 1 A 11 11 TRP C C 11 176.200 176.123 0.077 2
1 123 . 1 1 A 11 11 TRP CA C 11 57.800 57.944 -0.144 2
1 124 . 1 1 A 11 11 TRP CB C 11 29.300 29.312 -0.012 2
1 130 . 1 1 A 11 11 TRP N N 11 121.200 121.724 -0.523 2
1 132 . 1 1 A 12 12 HIS H H 12 7.980 8.324 -0.344 2
1 133 . 1 1 A 12 12 HIS HA H 12 4.410 4.747 -0.337 2
1 137 . 1 1 A 12 12 HIS C C 12 174.400 174.653 -0.253 2
1 138 . 1 1 A 12 12 HIS CA C 12 56.200 56.093 0.107 2
1 139 . 1 1 A 12 12 HIS CB C 12 29.600 30.788 -1.188 2
1 141 . 1 1 A 12 12 HIS N N 12 119.900 119.241 0.659 2
1 142 . 1 1 A 13 13 ASP H H 13 8.130 8.390 -0.260 2
1 143 . 1 1 A 13 13 ASP HA H 13 4.470 4.619 -0.149 2
1 146 . 1 1 A 13 13 ASP C C 13 176.100 175.882 0.218 2
1 147 . 1 1 A 13 13 ASP CA C 13 54.700 54.704 -0.004 2
1 148 . 1 1 A 13 13 ASP CB C 13 41.100 41.691 -0.591 2
1 149 . 1 1 A 13 13 ASP N N 13 120.600 120.761 -0.161 2
1 150 . 1 1 A 14 14 LYS H H 14 8.150 8.255 -0.105 2
1 151 . 1 1 A 14 14 LYS HA H 14 4.270 4.561 -0.291 2
1 160 . 1 1 A 14 14 LYS C C 14 176.600 175.754 0.846 2
1 161 . 1 1 A 14 14 LYS CA C 14 56.500 55.999 0.501 2
1 162 . 1 1 A 14 14 LYS CB C 14 32.900 33.816 -0.916 2
1 166 . 1 1 A 14 14 LYS N N 14 120.900 120.803 0.097 2
1 167 . 1 1 A 15 15 LEU H H 15 8.220 8.262 -0.042 2
1 168 . 1 1 A 15 15 LEU HA H 15 4.360 4.464 -0.104 2
1 178 . 1 1 A 15 15 LEU C C 15 177.600 176.084 1.516 2
1 179 . 1 1 A 15 15 LEU CA C 15 55.600 54.868 0.732 2
1 180 . 1 1 A 15 15 LEU CB C 15 42.200 42.743 -0.543 2
1 184 . 1 1 A 15 15 LEU N N 15 122.500 122.278 0.222 2
1 185 . 1 1 A 16 16 THR H H 16 8.090 8.263 -0.173 2
1 186 . 1 1 A 16 16 THR HA H 16 4.340 4.559 -0.219 2
1 191 . 1 1 A 16 16 THR C C 16 174.700 174.141 0.559 2
1 192 . 1 1 A 16 16 THR CA C 16 61.700 61.840 -0.140 2
1 193 . 1 1 A 16 16 THR CB C 16 70.000 69.774 0.226 2
1 195 . 1 1 A 16 16 THR N N 16 113.800 114.801 -1.001 2
1 196 . 1 1 A 17 17 GLU H H 17 8.400 8.584 -0.184 2
1 197 . 1 1 A 17 17 GLU HA H 17 4.330 4.463 -0.133 2
1 202 . 1 1 A 17 17 GLU C C 17 176.500 176.513 -0.013 2
1 203 . 1 1 A 17 17 GLU CA C 17 56.900 56.372 0.528 2
1 204 . 1 1 A 17 17 GLU CB C 17 30.200 30.280 -0.080 2
1 206 . 1 1 A 17 17 GLU N N 17 122.700 122.583 0.117 2
1 207 . 1 1 A 18 18 THR H H 18 8.040 8.373 -0.333 2
1 208 . 1 1 A 18 18 THR HA H 18 4.350 4.286 0.064 2
1 213 . 1 1 A 18 18 THR C C 18 174.000 174.552 -0.552 2
1 214 . 1 1 A 18 18 THR CA C 18 61.700 64.136 -2.437 2
1 215 . 1 1 A 18 18 THR CB C 18 69.800 69.173 0.627 2
1 217 . 1 1 A 18 18 THR N N 18 113.600 115.670 -2.070 2
1 218 . 1 1 A 19 19 ASP H H 19 8.290 8.163 0.127 2
1 219 . 1 1 A 19 19 ASP HA H 19 4.640 4.720 -0.080 2
1 222 . 1 1 A 19 19 ASP C C 19 175.500 175.260 0.240 2
1 223 . 1 1 A 19 19 ASP CA C 19 54.500 53.616 0.884 2
1 224 . 1 1 A 19 19 ASP CB C 19 41.200 40.774 0.426 2
1 225 . 1 1 A 19 19 ASP N N 19 122.900 119.805 3.095 2
1 226 . 1 1 A 20 20 VAL H H 20 7.900 7.848 0.052 2
1 227 . 1 1 A 20 20 VAL HA H 20 4.200 4.313 -0.113 2
1 235 . 1 1 A 20 20 VAL C C 20 175.400 174.926 0.474 2
1 236 . 1 1 A 20 20 VAL CA C 20 61.900 61.849 0.051 2
1 237 . 1 1 A 20 20 VAL CB C 20 33.500 32.188 1.312 2
1 240 . 1 1 A 20 20 VAL N N 20 119.900 121.991 -2.091 2
1 241 . 1 1 A 21 21 GLN H H 21 8.490 8.390 0.100 2
1 242 . 1 1 A 21 21 GLN HA H 21 4.510 4.919 -0.409 2
1 249 . 1 1 A 21 21 GLN C C 21 173.800 174.399 -0.599 2
1 250 . 1 1 A 21 21 GLN CA C 21 54.700 54.033 0.667 2
1 251 . 1 1 A 21 21 GLN CB C 21 31.600 31.545 0.055 2
1 253 . 1 1 A 21 21 GLN N N 21 124.800 124.471 0.329 2
1 255 . 1 1 A 22 22 ILE H H 22 8.070 8.672 -0.602 2
1 256 . 1 1 A 22 22 ILE HA H 22 4.820 4.762 0.058 2
1 266 . 1 1 A 22 22 ILE C C 22 175.500 175.539 -0.039 2
1 267 . 1 1 A 22 22 ILE CA C 22 58.700 59.440 -0.740 2
1 268 . 1 1 A 22 22 ILE CB C 22 39.800 41.240 -1.440 2
1 272 . 1 1 A 22 22 ILE N N 22 120.500 122.506 -2.006 2
1 273 . 1 1 A 23 23 ASP H H 23 9.340 8.600 0.740 2
1 274 . 1 1 A 23 23 ASP HA H 23 4.570 4.957 -0.387 2
1 277 . 1 1 A 23 23 ASP C C 23 178.600 176.401 2.199 2
1 278 . 1 1 A 23 23 ASP CA C 23 51.700 52.765 -1.065 2
1 279 . 1 1 A 23 23 ASP CB C 23 42.900 41.415 1.485 2
1 280 . 1 1 A 23 23 ASP N N 23 128.000 124.959 3.041 2
1 281 . 1 1 A 24 24 PHE H H 24 8.860 8.904 -0.044 2
1 282 . 1 1 A 24 24 PHE HA H 24 3.960 4.104 -0.144 2
1 290 . 1 1 A 24 24 PHE C C 24 175.800 177.140 -1.340 2
1 291 . 1 1 A 24 24 PHE CA C 24 61.600 61.062 0.538 2
1 292 . 1 1 A 24 24 PHE CB C 24 41.800 39.162 2.638 2
1 298 . 1 1 A 24 24 PHE N N 24 118.500 119.758 -1.258 2
1 299 . 1 1 A 25 25 TYR H H 25 8.340 8.107 0.233 2
1 300 . 1 1 A 25 25 TYR HA H 25 4.400 4.428 -0.028 2
1 307 . 1 1 A 25 25 TYR C C 25 175.700 175.876 -0.176 2
1 308 . 1 1 A 25 25 TYR CA C 25 59.200 59.499 -0.299 2
1 309 . 1 1 A 25 25 TYR CB C 25 38.700 38.884 -0.184 2
1 314 . 1 1 A 25 25 TYR N N 25 114.500 116.692 -2.192 2
1 315 . 1 1 A 26 26 GLY H H 26 8.460 7.883 0.577 2
1 316 . 1 1 A 26 26 GLY HA2 H 26 4.230 3.959 0.271 2
1 317 . 1 1 A 26 26 GLY HA3 H 26 3.500 3.977 -0.477 2
1 318 . 1 1 A 26 26 GLY C C 26 174.700 174.211 0.489 2
1 319 . 1 1 A 26 26 GLY CA C 26 45.200 45.939 -0.739 2
1 320 . 1 1 A 26 26 GLY N N 26 109.700 107.959 1.741 2
1 321 . 1 1 A 27 27 ASP H H 27 8.400 8.048 0.352 2
1 322 . 1 1 A 27 27 ASP HA H 27 4.330 4.864 -0.534 2
1 325 . 1 1 A 27 27 ASP C C 27 175.700 175.581 0.119 2
1 326 . 1 1 A 27 27 ASP CA C 27 56.700 54.735 1.965 2
1 327 . 1 1 A 27 27 ASP CB C 27 30.300 41.888 -11.588 2
1 328 . 1 1 A 27 27 ASP N N 27 122.700 120.700 2.000 2
1 329 . 1 1 A 28 28 GLU H H 28 7.960 7.947 0.013 2
1 330 . 1 1 A 28 28 GLU HA H 28 4.280 4.541 -0.261 2
1 335 . 1 1 A 28 28 GLU C C 28 175.200 174.538 0.662 2
1 336 . 1 1 A 28 28 GLU CA C 28 57.400 56.380 1.020 2
1 337 . 1 1 A 28 28 GLU CB C 28 30.500 32.356 -1.856 2
1 339 . 1 1 A 28 28 GLU N N 28 126.100 119.306 6.794 2
1 340 . 1 1 A 29 29 VAL H H 29 8.550 8.842 -0.292 2
1 341 . 1 1 A 29 29 VAL HA H 29 4.180 4.670 -0.490 2
1 349 . 1 1 A 29 29 VAL C C 29 176.000 175.760 0.240 2
1 350 . 1 1 A 29 29 VAL CA C 29 61.500 61.287 0.213 2
1 351 . 1 1 A 29 29 VAL CB C 29 32.300 33.018 -0.718 2
1 354 . 1 1 A 29 29 VAL N N 29 123.500 126.196 -2.696 2
1 355 . 1 1 A 30 30 THR H H 30 9.720 8.881 0.839 2
1 356 . 1 1 A 30 30 THR HA H 30 5.010 4.923 0.087 2
1 361 . 1 1 A 30 30 THR CA C 30 60.800 59.148 1.652 2
1 362 . 1 1 A 30 30 THR CB C 30 68.700 69.698 -0.998 2
1 364 . 1 1 A 30 30 THR N N 30 122.300 119.159 3.141 2
1 365 . 1 1 A 31 31 PRO HA H 31 4.510 4.527 -0.017 2
1 372 . 1 1 A 31 31 PRO C C 31 176.400 177.021 -0.621 2
1 373 . 1 1 A 31 31 PRO CA C 31 65.200 64.352 0.848 2
1 374 . 1 1 A 31 31 PRO CB C 31 32.600 31.662 0.938 2
1 377 . 1 1 A 32 32 VAL H H 32 6.830 7.899 -1.069 2
1 378 . 1 1 A 32 32 VAL HA H 32 4.450 4.304 0.146 2
1 386 . 1 1 A 32 32 VAL C C 32 175.700 174.883 0.817 2
1 387 . 1 1 A 32 32 VAL CA C 32 60.600 61.815 -1.215 2
1 388 . 1 1 A 32 32 VAL CB C 32 31.200 32.092 -0.892 2
1 391 . 1 1 A 32 32 VAL N N 32 105.600 115.209 -9.609 2
1 392 . 1 1 A 33 33 ASP H H 33 7.800 8.031 -0.231 2
1 393 . 1 1 A 33 33 ASP HA H 33 4.910 5.060 -0.150 2
1 396 . 1 1 A 33 33 ASP C C 33 174.900 174.827 0.073 2
1 397 . 1 1 A 33 33 ASP CA C 33 55.100 52.988 2.112 2
1 398 . 1 1 A 33 33 ASP CB C 33 43.900 43.433 0.467 2
1 399 . 1 1 A 33 33 ASP N N 33 122.100 121.850 0.250 2
1 400 . 1 1 A 34 34 ASP H H 34 8.810 8.673 0.137 2
1 401 . 1 1 A 34 34 ASP HA H 34 5.060 5.180 -0.120 2
1 404 . 1 1 A 34 34 ASP C C 34 176.500 175.213 1.287 2
1 405 . 1 1 A 34 34 ASP CA C 34 53.700 53.653 0.047 2
1 406 . 1 1 A 34 34 ASP CB C 34 41.600 42.093 -0.493 2
1 407 . 1 1 A 34 34 ASP N N 34 121.800 122.560 -0.760 2
1 408 . 1 1 A 35 35 TYR H H 35 8.570 8.616 -0.046 2
1 409 . 1 1 A 35 35 TYR HA H 35 5.220 5.440 -0.220 2
1 416 . 1 1 A 35 35 TYR C C 35 171.800 173.077 -1.277 2
1 417 . 1 1 A 35 35 TYR CA C 35 56.300 55.984 0.316 2
1 418 . 1 1 A 35 35 TYR CB C 35 40.700 41.712 -1.012 2
1 423 . 1 1 A 35 35 TYR N N 35 117.900 120.158 -2.258 2
1 424 . 1 1 A 36 36 VAL H H 36 9.340 8.852 0.488 2
1 425 . 1 1 A 36 36 VAL HA H 36 4.660 4.688 -0.028 2
1 433 . 1 1 A 36 36 VAL C C 36 173.300 174.775 -1.475 2
1 434 . 1 1 A 36 36 VAL CA C 36 59.300 60.400 -1.100 2
1 435 . 1 1 A 36 36 VAL CB C 36 35.100 35.835 -0.735 2
1 438 . 1 1 A 36 36 VAL N N 36 120.700 119.527 1.173 2
1 439 . 1 1 A 37 37 ILE H H 37 8.820 8.873 -0.053 2
1 440 . 1 1 A 37 37 ILE HA H 37 4.820 5.017 -0.197 2
1 450 . 1 1 A 37 37 ILE C C 37 175.500 174.028 1.472 2
1 451 . 1 1 A 37 37 ILE CA C 37 59.700 59.989 -0.289 2
1 452 . 1 1 A 37 37 ILE CB C 37 40.600 38.925 1.675 2
1 456 . 1 1 A 37 37 ILE N N 37 124.100 127.203 -3.103 2
1 457 . 1 1 A 38 38 ASP H H 38 8.280 8.951 -0.671 2
1 458 . 1 1 A 38 38 ASP HA H 38 4.430 5.007 -0.577 2
1 461 . 1 1 A 38 38 ASP C C 38 177.000 176.559 0.441 2
1 462 . 1 1 A 38 38 ASP CA C 38 51.400 52.973 -1.573 2
1 463 . 1 1 A 38 38 ASP CB C 38 41.200 41.405 -0.205 2
1 464 . 1 1 A 38 38 ASP N N 38 126.600 127.646 -1.046 2
1 465 . 1 1 A 39 39 GLY H H 39 8.910 8.604 0.305 2
1 466 . 1 1 A 39 39 GLY HA2 H 39 3.640 3.933 -0.293 2
1 467 . 1 1 A 39 39 GLY HA3 H 39 3.850 3.974 -0.124 2
1 468 . 1 1 A 39 39 GLY C C 39 174.500 174.599 -0.099 2
1 469 . 1 1 A 39 39 GLY CA C 39 47.600 45.774 1.826 2
1 470 . 1 1 A 39 39 GLY N N 39 114.900 114.196 0.704 2
1 471 . 1 1 A 40 40 GLY H H 40 8.220 8.519 -0.299 2
1 472 . 1 1 A 40 40 GLY HA2 H 40 3.900 4.041 -0.141 2
1 473 . 1 1 A 40 40 GLY HA3 H 40 3.900 4.046 -0.146 2
1 474 . 1 1 A 40 40 GLY C C 40 173.900 174.405 -0.505 2
1 475 . 1 1 A 40 40 GLY CA C 40 45.000 45.407 -0.407 2
1 476 . 1 1 A 40 40 GLY N N 40 112.200 107.266 4.934 2
1 477 . 1 1 A 41 41 GLU H H 41 7.770 7.658 0.112 2
1 478 . 1 1 A 41 41 GLU HA H 41 4.750 4.538 0.212 2
1 483 . 1 1 A 41 41 GLU C C 41 174.800 175.859 -1.059 2
1 484 . 1 1 A 41 41 GLU CA C 41 54.300 55.963 -1.663 2
1 485 . 1 1 A 41 41 GLU CB C 41 30.300 30.917 -0.617 2
1 487 . 1 1 A 41 41 GLU N N 41 120.200 120.501 -0.301 2
1 488 . 1 1 A 42 42 ILE H H 42 8.720 8.543 0.177 2
1 489 . 1 1 A 42 42 ILE HA H 42 4.780 4.761 0.019 2
1 499 . 1 1 A 42 42 ILE C C 42 174.800 175.206 -0.406 2
1 500 . 1 1 A 42 42 ILE CA C 42 59.200 60.465 -1.265 2
1 501 . 1 1 A 42 42 ILE CB C 42 40.300 38.836 1.464 2
1 505 . 1 1 A 42 42 ILE N N 42 122.000 123.753 -1.753 2
1 506 . 1 1 A 43 43 ILE H H 43 9.230 9.015 0.215 2
1 507 . 1 1 A 43 43 ILE HA H 43 4.480 4.669 -0.189 2
1 517 . 1 1 A 43 43 ILE C C 43 176.400 175.427 0.973 2
1 518 . 1 1 A 43 43 ILE CA C 43 61.000 60.098 0.902 2
1 519 . 1 1 A 43 43 ILE CB C 43 42.300 41.647 0.653 2
1 523 . 1 1 A 43 43 ILE N N 43 126.400 127.285 -0.885 2
1 524 . 1 1 A 44 44 LEU H H 44 10.930 8.632 2.299 2
1 525 . 1 1 A 44 44 LEU HA H 44 4.280 4.349 -0.069 2
1 535 . 1 1 A 44 44 LEU C C 44 179.300 178.241 1.059 2
1 536 . 1 1 A 44 44 LEU CA C 44 56.500 55.743 0.757 2
1 537 . 1 1 A 44 44 LEU CB C 44 42.600 43.064 -0.464 2
1 541 . 1 1 A 44 44 LEU N N 44 130.900 128.426 2.474 2
1 542 . 1 1 A 45 45 ARG H H 45 8.610 8.988 -0.378 2
1 543 . 1 1 A 45 45 ARG HA H 45 3.890 4.098 -0.208 2
1 551 . 1 1 A 45 45 ARG C C 45 179.300 178.139 1.161 2
1 552 . 1 1 A 45 45 ARG CA C 45 60.200 58.894 1.306 2
1 553 . 1 1 A 45 45 ARG CB C 45 29.400 29.958 -0.558 2
1 556 . 1 1 A 45 45 ARG N N 45 125.400 125.297 0.103 2
1 558 . 1 1 A 46 46 GLU H H 46 9.020 7.934 1.086 2
1 559 . 1 1 A 46 46 GLU HA H 46 4.210 4.113 0.097 2
1 564 . 1 1 A 46 46 GLU C C 46 176.700 177.941 -1.241 2
1 565 . 1 1 A 46 46 GLU CA C 46 59.000 58.787 0.213 2
1 566 . 1 1 A 46 46 GLU CB C 46 29.600 29.742 -0.142 2
1 568 . 1 1 A 46 46 GLU N N 46 117.500 119.377 -1.877 2
1 569 . 1 1 A 47 47 ASN H H 47 7.870 7.902 -0.031 2
1 570 . 1 1 A 47 47 ASN HA H 47 5.100 4.813 0.287 2
1 573 . 1 1 A 47 47 ASN C C 47 175.200 176.543 -1.343 2
1 574 . 1 1 A 47 47 ASN CA C 47 52.800 53.321 -0.521 2
1 575 . 1 1 A 47 47 ASN CB C 47 40.500 39.094 1.406 2
1 576 . 1 1 A 47 47 ASN N N 47 115.900 116.414 -0.514 2
1 577 . 1 1 A 48 48 LEU H H 48 7.760 7.653 0.107 2
1 578 . 1 1 A 48 48 LEU HA H 48 4.060 4.120 -0.060 2
1 588 . 1 1 A 48 48 LEU C C 48 177.200 178.444 -1.244 2
1 589 . 1 1 A 48 48 LEU CA C 48 59.000 58.069 0.931 2
1 590 . 1 1 A 48 48 LEU CB C 48 42.800 41.688 1.112 2
1 594 . 1 1 A 48 48 LEU N N 48 122.300 121.681 0.619 2
1 595 . 1 1 A 49 49 GLU H H 49 8.770 8.323 0.447 2
1 596 . 1 1 A 49 49 GLU HA H 49 3.670 3.983 -0.313 2
1 601 . 1 1 A 49 49 GLU C C 49 176.200 179.129 -2.929 2
1 602 . 1 1 A 49 49 GLU CA C 49 61.300 59.741 1.559 2
1 603 . 1 1 A 49 49 GLU CB C 49 28.200 29.329 -1.129 2
1 605 . 1 1 A 49 49 GLU N N 49 118.800 118.825 -0.025 2
1 606 . 1 1 A 50 50 ARG H H 50 8.000 8.044 -0.044 2
1 607 . 1 1 A 50 50 ARG HA H 50 3.860 4.084 -0.224 2
1 615 . 1 1 A 50 50 ARG C C 50 174.100 178.571 -4.471 2
1 616 . 1 1 A 50 50 ARG CA C 50 60.100 58.912 1.188 2
1 617 . 1 1 A 50 50 ARG CB C 50 29.900 29.974 -0.074 2
1 620 . 1 1 A 50 50 ARG N N 50 119.100 120.249 -1.149 2
1 622 . 1 1 A 51 51 TYR H H 51 8.250 8.096 0.154 2
1 623 . 1 1 A 51 51 TYR HA H 51 4.610 4.135 0.475 2
1 630 . 1 1 A 51 51 TYR C C 51 178.500 177.254 1.246 2
1 631 . 1 1 A 51 51 TYR CA C 51 61.700 61.126 0.574 2
1 632 . 1 1 A 51 51 TYR CB C 51 40.000 38.691 1.309 2
1 637 . 1 1 A 51 51 TYR N N 51 120.400 121.085 -0.685 2
1 638 . 1 1 A 52 52 LEU H H 52 9.030 8.555 0.475 2
1 639 . 1 1 A 52 52 LEU HA H 52 3.690 3.885 -0.196 2
1 649 . 1 1 A 52 52 LEU C C 52 180.000 179.123 0.877 2
1 650 . 1 1 A 52 52 LEU CA C 52 57.600 57.559 0.041 2
1 651 . 1 1 A 52 52 LEU CB C 52 40.800 41.304 -0.504 2
1 655 . 1 1 A 52 52 LEU N N 52 118.300 119.351 -1.051 2
1 656 . 1 1 A 53 53 ARG H H 53 8.530 7.893 0.637 2
1 657 . 1 1 A 53 53 ARG HA H 53 4.820 3.962 0.858 2
1 665 . 1 1 A 53 53 ARG C C 53 179.100 178.553 0.547 2
1 666 . 1 1 A 53 53 ARG CA C 53 59.300 59.374 -0.074 2
1 667 . 1 1 A 53 53 ARG CB C 53 31.900 29.756 2.144 2
1 670 . 1 1 A 53 53 ARG N N 53 119.400 120.277 -0.877 2
1 672 . 1 1 A 54 54 GLU H H 54 9.090 7.837 1.253 2
1 673 . 1 1 A 54 54 GLU HA H 54 4.100 4.171 -0.071 2
1 678 . 1 1 A 54 54 GLU C C 54 178.700 178.236 0.464 2
1 679 . 1 1 A 54 54 GLU CA C 54 59.300 58.574 0.726 2
1 680 . 1 1 A 54 54 GLU CB C 54 31.000 30.206 0.794 2
1 682 . 1 1 A 54 54 GLU N N 54 116.700 118.537 -1.837 2
1 683 . 1 1 A 55 55 GLN H H 55 8.760 7.818 0.942 2
1 684 . 1 1 A 55 55 GLN HA H 55 4.290 4.190 0.100 2
1 691 . 1 1 A 55 55 GLN C C 55 177.700 175.931 1.769 2
1 692 . 1 1 A 55 55 GLN CA C 55 55.800 57.158 -1.358 2
1 693 . 1 1 A 55 55 GLN CB C 55 28.000 29.421 -1.421 2
1 695 . 1 1 A 55 55 GLN N N 55 113.900 118.295 -4.395 2
1 697 . 1 1 A 56 56 LEU H H 56 6.650 7.892 -1.242 2
1 698 . 1 1 A 56 56 LEU HA H 56 4.700 3.909 0.791 2
1 708 . 1 1 A 56 56 LEU C C 56 178.000 176.516 1.484 2
1 709 . 1 1 A 56 56 LEU CA C 56 55.300 55.865 -0.565 2
1 710 . 1 1 A 56 56 LEU CB C 56 43.800 40.855 2.945 2
1 714 . 1 1 A 56 56 LEU N N 56 116.200 120.108 -3.908 2
1 715 . 1 1 A 57 57 GLY H H 57 7.160 8.091 -0.931 2
1 716 . 1 1 A 57 57 GLY HA2 H 57 4.070 3.587 0.483 2
1 717 . 1 1 A 57 57 GLY HA3 H 57 4.070 3.800 0.270 2
1 718 . 1 1 A 57 57 GLY C C 57 175.000 173.989 1.011 2
1 719 . 1 1 A 57 57 GLY CA C 57 46.900 45.118 1.782 2
1 720 . 1 1 A 57 57 GLY N N 57 109.000 105.421 3.580 2
1 721 . 1 1 A 58 58 PHE H H 58 8.480 7.781 0.699 2
1 722 . 1 1 A 58 58 PHE HA H 58 4.690 4.484 0.206 2
1 730 . 1 1 A 58 58 PHE C C 58 175.700 174.491 1.209 2
1 731 . 1 1 A 58 58 PHE CA C 58 57.900 59.098 -1.198 2
1 732 . 1 1 A 58 58 PHE CB C 58 39.500 38.572 0.928 2
1 738 . 1 1 A 58 58 PHE N N 58 123.100 117.413 5.687 2
1 739 . 1 1 A 59 59 GLU H H 59 8.440 8.722 -0.282 2
1 740 . 1 1 A 59 59 GLU HA H 59 4.820 4.720 0.100 2
1 745 . 1 1 A 59 59 GLU C C 59 174.700 175.086 -0.386 2
1 746 . 1 1 A 59 59 GLU CA C 59 54.600 55.168 -0.568 2
1 747 . 1 1 A 59 59 GLU CB C 59 32.800 30.523 2.277 2
1 749 . 1 1 A 59 59 GLU N N 59 118.600 123.311 -4.711 2
1 750 . 1 1 A 60 60 PHE H H 60 9.110 9.104 0.006 2
1 751 . 1 1 A 60 60 PHE HA H 60 4.470 5.004 -0.534 2
1 759 . 1 1 A 60 60 PHE C C 60 175.100 175.025 0.075 2
1 760 . 1 1 A 60 60 PHE CA C 60 58.100 57.381 0.719 2
1 761 . 1 1 A 60 60 PHE CB C 60 39.900 39.456 0.444 2
1 767 . 1 1 A 60 60 PHE N N 60 124.300 126.739 -2.439 2
1 768 . 1 1 A 61 61 LYS H H 61 8.510 8.746 -0.236 2
1 769 . 1 1 A 61 61 LYS HA H 61 4.360 4.867 -0.507 2
1 778 . 1 1 A 61 61 LYS C C 61 174.700 175.523 -0.823 2
1 779 . 1 1 A 61 61 LYS CA C 61 53.800 55.004 -1.204 2
1 780 . 1 1 A 61 61 LYS CB C 61 31.300 34.106 -2.806 2
1 784 . 1 1 A 61 61 LYS N N 61 124.900 124.931 -0.031 2
1 785 . 1 1 A 62 62 ASN H H 62 8.400 8.663 -0.263 2
1 786 . 1 1 A 62 62 ASN HA H 62 4.910 5.032 -0.122 2
1 789 . 1 1 A 62 62 ASN C C 62 175.500 175.447 0.053 2
1 790 . 1 1 A 62 62 ASN CA C 62 52.400 52.480 -0.080 2
1 791 . 1 1 A 62 62 ASN CB C 62 39.400 40.586 -1.186 2
1 792 . 1 1 A 62 62 ASN N N 62 121.800 120.687 1.113 2
1 793 . 1 1 A 63 63 ALA H H 63 8.960 8.575 0.385 2
1 794 . 1 1 A 63 63 ALA HA H 63 4.170 4.171 -0.001 2
1 798 . 1 1 A 63 63 ALA C C 63 178.200 177.565 0.635 2
1 799 . 1 1 A 63 63 ALA CA C 63 53.300 53.159 0.141 2
1 800 . 1 1 A 63 63 ALA CB C 63 19.300 18.628 0.673 2
1 801 . 1 1 A 63 63 ALA N N 63 126.200 124.446 1.754 2
1 802 . 1 1 A 64 64 GLN H H 64 8.570 8.179 0.391 2
1 803 . 1 1 A 64 64 GLN HA H 64 4.280 4.189 0.091 2
1 810 . 1 1 A 64 64 GLN C C 64 176.200 175.481 0.719 2
1 811 . 1 1 A 64 64 GLN CA C 64 56.300 56.798 -0.498 2
1 812 . 1 1 A 64 64 GLN CB C 64 29.400 27.874 1.526 2
1 814 . 1 1 A 64 64 GLN N N 64 119.900 116.608 3.292 2
1 816 . 1 1 A 65 65 LEU H H 65 8.080 7.981 0.099 2
1 817 . 1 1 A 65 65 LEU HA H 65 4.320 4.375 -0.055 2
1 827 . 1 1 A 65 65 LEU C C 65 177.200 176.330 0.870 2
1 828 . 1 1 A 65 65 LEU CA C 65 55.300 55.008 0.292 2
1 829 . 1 1 A 65 65 LEU CB C 65 42.700 42.201 0.499 2
1 833 . 1 1 A 65 65 LEU N N 65 121.700 121.564 0.136 2
1 834 . 1 1 A 66 66 GLU H H 66 8.290 8.403 -0.113 2
1 835 . 1 1 A 66 66 GLU HA H 66 4.190 4.302 -0.112 2
1 840 . 1 1 A 66 66 GLU C C 66 176.300 175.848 0.452 2
1 841 . 1 1 A 66 66 GLU CA C 66 56.800 57.138 -0.338 2
1 842 . 1 1 A 66 66 GLU CB C 66 30.400 29.205 1.195 2
1 844 . 1 1 A 66 66 GLU N N 66 120.400 122.671 -2.271 2
1 845 . 1 1 A 67 67 HIS H H 67 8.280 8.212 0.068 2
1 846 . 1 1 A 67 67 HIS HA H 67 4.620 4.679 -0.059 2
1 850 . 1 1 A 67 67 HIS C C 67 173.900 174.418 -0.518 2
1 851 . 1 1 A 67 67 HIS CA C 67 55.900 55.574 0.326 2
1 852 . 1 1 A 67 67 HIS CB C 67 30.100 29.933 0.167 2
1 854 . 1 1 A 67 67 HIS N N 67 119.300 121.609 -2.309 2
1 855 . 1 1 A 68 68 HIS H H 68 8.180 8.353 -0.173 2
1 856 . 1 1 A 68 68 HIS HA H 68 4.440 4.652 -0.212 2
1 859 . 1 1 A 68 68 HIS CA C 68 57.300 55.623 1.677 2
1 860 . 1 1 A 68 68 HIS CB C 68 30.200 30.289 -0.089 2
1 861 . 1 1 A 68 68 HIS N N 68 125.300 120.176 5.124 2
stop_
save_