data_16517_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16517
_Entry.PDB_ID 2KOK
_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 1 . 1 1 1 A 2 2 PRO HA H 2 4.500 4.644 -0.144 1
1 8 . 1 1 1 A 2 2 PRO C C 2 177.500 176.437 1.063 1
1 9 . 1 1 1 A 2 2 PRO CA C 2 63.500 62.440 1.060 1
1 10 . 1 1 1 A 2 2 PRO CB C 2 32.200 33.427 -1.227 1
1 13 . 1 1 1 A 3 3 GLY H H 3 8.113 8.289 -0.176 1
1 14 . 1 1 1 A 3 3 GLY HA2 H 3 4.060 4.170 -0.110 1
1 15 . 1 1 1 A 3 3 GLY HA3 H 3 4.030 4.175 -0.145 1
1 16 . 1 1 1 A 3 3 GLY CA C 3 45.300 45.261 0.039 1
1 17 . 1 1 1 A 3 3 GLY N N 3 110.500 108.098 2.402 1
1 18 . 1 1 1 A 4 4 SER H H 4 8.280 8.904 -0.624 1
1 19 . 1 1 1 A 4 4 SER HA H 4 4.520 4.329 0.191 1
1 22 . 1 1 1 A 4 4 SER C C 4 178.100 174.870 3.230 1
1 23 . 1 1 1 A 4 4 SER CA C 4 58.600 61.202 -2.602 1
1 24 . 1 1 1 A 4 4 SER CB C 4 63.800 63.216 0.584 1
1 25 . 1 1 1 A 4 4 SER N N 4 115.900 119.118 -3.218 1
1 26 . 1 1 1 A 5 5 MET H H 5 8.680 7.856 0.824 1
1 27 . 1 1 1 A 5 5 MET HA H 5 4.700 4.575 0.125 1
1 32 . 1 1 1 A 5 5 MET C C 5 174.800 175.793 -0.993 1
1 33 . 1 1 1 A 5 5 MET CA C 5 54.900 55.584 -0.684 1
1 34 . 1 1 1 A 5 5 MET CB C 5 32.500 33.685 -1.185 1
1 36 . 1 1 1 A 5 5 MET N N 5 121.500 119.793 1.707 1
1 37 . 1 1 1 A 6 6 SER H H 6 8.220 8.704 -0.484 1
1 38 . 1 1 1 A 6 6 SER HA H 6 4.580 4.955 -0.375 1
1 41 . 1 1 1 A 6 6 SER C C 6 174.200 173.040 1.160 1
1 42 . 1 1 1 A 6 6 SER CA C 6 59.100 57.064 2.036 1
1 43 . 1 1 1 A 6 6 SER CB C 6 63.800 65.877 -2.077 1
1 44 . 1 1 1 A 6 6 SER N N 6 117.000 115.249 1.751 1
1 45 . 1 1 1 A 7 7 VAL H H 7 8.750 8.261 0.489 1
1 46 . 1 1 1 A 7 7 VAL HA H 7 4.840 4.475 0.365 1
1 54 . 1 1 1 A 7 7 VAL C C 7 175.800 175.335 0.465 1
1 55 . 1 1 1 A 7 7 VAL CA C 7 61.800 61.391 0.409 1
1 56 . 1 1 1 A 7 7 VAL CB C 7 33.800 32.925 0.875 1
1 59 . 1 1 1 A 7 7 VAL N N 7 124.100 123.401 0.699 1
1 60 . 1 1 1 A 8 8 THR H H 8 8.880 8.862 0.018 1
1 61 . 1 1 1 A 8 8 THR HA H 8 5.360 4.765 0.595 1
1 66 . 1 1 1 A 8 8 THR C C 8 172.500 172.615 -0.115 1
1 67 . 1 1 1 A 8 8 THR CA C 8 61.700 61.671 0.029 1
1 68 . 1 1 1 A 8 8 THR CB C 8 70.600 70.472 0.128 1
1 70 . 1 1 1 A 8 8 THR N N 8 124.500 123.501 0.999 1
1 71 . 1 1 1 A 9 9 ILE H H 9 9.170 9.236 -0.066 1
1 72 . 1 1 1 A 9 9 ILE HA H 9 5.610 5.555 0.055 1
1 82 . 1 1 1 A 9 9 ILE C C 9 172.500 173.380 -0.880 1
1 83 . 1 1 1 A 9 9 ILE CA C 9 58.300 58.484 -0.184 1
1 84 . 1 1 1 A 9 9 ILE CB C 9 42.400 41.442 0.958 1
1 88 . 1 1 1 A 9 9 ILE N N 9 123.900 128.215 -4.315 1
1 89 . 1 1 1 A 10 10 TYR H H 10 9.740 9.582 0.158 1
1 90 . 1 1 1 A 10 10 TYR HA H 10 5.410 5.816 -0.406 1
1 95 . 1 1 1 A 10 10 TYR C C 10 177.500 175.304 2.196 1
1 96 . 1 1 1 A 10 10 TYR CA C 10 56.500 55.966 0.534 1
1 97 . 1 1 1 A 10 10 TYR CB C 10 40.300 41.825 -1.525 1
1 100 . 1 1 1 A 10 10 TYR N N 10 125.300 127.816 -2.516 1
1 101 . 1 1 1 A 11 11 GLY H H 11 7.880 8.464 -0.584 1
1 102 . 1 1 1 A 11 11 GLY HA2 H 11 4.700 4.353 0.347 1
1 103 . 1 1 1 A 11 11 GLY HA3 H 11 4.700 4.408 0.292 1
1 104 . 1 1 1 A 11 11 GLY C C 11 170.000 172.307 -2.307 1
1 105 . 1 1 1 A 11 11 GLY CA C 11 46.700 46.011 0.689 1
1 106 . 1 1 1 A 11 11 GLY N N 11 108.600 108.920 -0.320 1
1 107 . 1 1 1 A 12 12 ILE H H 12 6.340 8.703 -2.363 1
1 108 . 1 1 1 A 12 12 ILE HA H 12 5.330 5.443 -0.113 1
1 118 . 1 1 1 A 12 12 ILE C C 12 175.100 176.261 -1.161 1
1 119 . 1 1 1 A 12 12 ILE CA C 12 59.300 59.022 0.278 1
1 120 . 1 1 1 A 12 12 ILE CB C 12 41.000 41.866 -0.866 1
1 124 . 1 1 1 A 12 12 ILE N N 12 113.300 120.218 -6.918 1
1 125 . 1 1 1 A 13 13 LYS H H 13 9.450 8.829 0.621 1
1 126 . 1 1 1 A 13 13 LYS HA H 13 4.090 4.498 -0.408 1
1 129 . 1 1 1 A 13 13 LYS C C 13 177.800 176.975 0.825 1
1 130 . 1 1 1 A 13 13 LYS CA C 13 59.200 57.680 1.520 1
1 131 . 1 1 1 A 13 13 LYS CB C 13 33.600 33.787 -0.187 1
1 133 . 1 1 1 A 13 13 LYS N N 13 120.900 122.695 -1.795 1
1 134 . 1 1 1 A 14 14 ASN H H 14 8.700 7.749 0.951 1
1 135 . 1 1 1 A 14 14 ASN HA H 14 4.690 4.896 -0.206 1
1 140 . 1 1 1 A 14 14 ASN C C 14 173.100 174.240 -1.140 1
1 141 . 1 1 1 A 14 14 ASN CA C 14 52.700 51.920 0.780 1
1 142 . 1 1 1 A 14 14 ASN CB C 14 36.300 36.974 -0.674 1
1 143 . 1 1 1 A 14 14 ASN N N 14 116.600 116.534 0.066 1
1 145 . 1 1 1 A 15 15 CYS H H 15 7.440 7.585 -0.145 1
1 146 . 1 1 1 A 15 15 CYS HA H 15 4.510 4.872 -0.362 1
1 149 . 1 1 1 A 15 15 CYS CA C 15 59.100 57.941 1.159 1
1 150 . 1 1 1 A 15 15 CYS CB C 15 30.800 31.070 -0.270 1
1 151 . 1 1 1 A 15 15 CYS N N 15 124.400 122.656 1.744 1
1 152 . 1 1 1 A 16 16 ASP HA H 16 4.460 4.415 0.045 1
1 155 . 1 1 1 A 16 16 ASP C C 16 178.000 178.141 -0.141 1
1 156 . 1 1 1 A 16 16 ASP CA C 16 57.500 57.048 0.452 1
1 157 . 1 1 1 A 16 16 ASP CB C 16 41.400 39.563 1.837 1
1 158 . 1 1 1 A 17 17 THR H H 17 9.210 8.005 1.205 1
1 159 . 1 1 1 A 17 17 THR HA H 17 4.000 3.798 0.202 1
1 164 . 1 1 1 A 17 17 THR C C 17 176.000 176.672 -0.672 1
1 165 . 1 1 1 A 17 17 THR CA C 17 67.400 67.337 0.063 1
1 166 . 1 1 1 A 17 17 THR CB C 17 68.200 68.346 -0.146 1
1 168 . 1 1 1 A 17 17 THR N N 17 122.200 116.811 5.389 1
1 169 . 1 1 1 A 18 18 MET H H 18 8.940 8.241 0.699 1
1 170 . 1 1 1 A 18 18 MET HA H 18 3.990 3.937 0.053 1
1 176 . 1 1 1 A 18 18 MET C C 18 178.300 178.818 -0.518 1
1 177 . 1 1 1 A 18 18 MET CA C 18 56.000 59.259 -3.259 1
1 178 . 1 1 1 A 18 18 MET CB C 18 31.400 32.668 -1.268 1
1 181 . 1 1 1 A 18 18 MET N N 18 125.300 118.156 7.144 1
1 182 . 1 1 1 A 19 19 LYS H H 19 8.080 8.041 0.039 1
1 183 . 1 1 1 A 19 19 LYS HA H 19 3.800 3.902 -0.102 1
1 186 . 1 1 1 A 19 19 LYS CA C 19 60.000 59.246 0.754 1
1 187 . 1 1 1 A 19 19 LYS CB C 19 32.500 32.402 0.098 1
1 191 . 1 1 1 A 19 19 LYS N N 19 117.900 120.024 -2.124 1
1 192 . 1 1 1 A 20 20 LYS H H 20 7.510 7.883 -0.373 1
1 193 . 1 1 1 A 20 20 LYS HA H 20 3.790 4.067 -0.277 1
1 198 . 1 1 1 A 20 20 LYS C C 20 178.500 179.037 -0.537 1
1 199 . 1 1 1 A 20 20 LYS CA C 20 59.500 59.064 0.436 1
1 200 . 1 1 1 A 20 20 LYS CB C 20 32.800 32.014 0.786 1
1 204 . 1 1 1 A 20 20 LYS N N 20 117.500 119.237 -1.737 1
1 205 . 1 1 1 A 21 21 ALA H H 21 7.730 8.074 -0.344 1
1 206 . 1 1 1 A 21 21 ALA HA H 21 2.540 3.967 -1.427 1
1 210 . 1 1 1 A 21 21 ALA C C 21 178.700 179.618 -0.918 1
1 211 . 1 1 1 A 21 21 ALA CA C 21 54.400 55.369 -0.969 1
1 212 . 1 1 1 A 21 21 ALA CB C 21 19.000 18.288 0.712 1
1 213 . 1 1 1 A 21 21 ALA N N 21 123.600 122.518 1.082 1
1 214 . 1 1 1 A 22 22 ARG H H 22 8.110 8.114 -0.004 1
1 215 . 1 1 1 A 22 22 ARG HA H 22 3.490 4.074 -0.584 1
1 222 . 1 1 1 A 22 22 ARG C C 22 178.200 178.681 -0.481 1
1 223 . 1 1 1 A 22 22 ARG CA C 22 60.500 58.883 1.617 1
1 224 . 1 1 1 A 22 22 ARG CB C 22 30.700 30.386 0.314 1
1 227 . 1 1 1 A 22 22 ARG N N 22 116.100 116.975 -0.875 1
1 228 . 1 1 1 A 23 23 ILE H H 23 7.860 8.002 -0.142 1
1 229 . 1 1 1 A 23 23 ILE HA H 23 3.710 3.626 0.084 1
1 239 . 1 1 1 A 23 23 ILE C C 23 177.200 178.397 -1.197 1
1 240 . 1 1 1 A 23 23 ILE CA C 23 65.000 65.013 -0.013 1
1 241 . 1 1 1 A 23 23 ILE CB C 23 38.000 37.736 0.264 1
1 245 . 1 1 1 A 23 23 ILE N N 23 119.400 120.366 -0.966 1
1 246 . 1 1 1 A 24 24 TRP H H 24 7.880 8.287 -0.407 1
1 247 . 1 1 1 A 24 24 TRP HA H 24 4.270 4.237 0.033 1
1 256 . 1 1 1 A 24 24 TRP C C 24 176.100 178.442 -2.342 1
1 257 . 1 1 1 A 24 24 TRP CA C 24 63.100 61.077 2.023 1
1 258 . 1 1 1 A 24 24 TRP CB C 24 30.200 29.444 0.756 1
1 264 . 1 1 1 A 24 24 TRP N N 24 121.000 121.701 -0.701 1
1 266 . 1 1 1 A 25 25 LEU H H 25 8.690 8.872 -0.182 1
1 267 . 1 1 1 A 25 25 LEU HA H 25 4.000 4.068 -0.068 1
1 277 . 1 1 1 A 25 25 LEU C C 25 178.600 179.268 -0.668 1
1 278 . 1 1 1 A 25 25 LEU CA C 25 59.700 57.972 1.728 1
1 279 . 1 1 1 A 25 25 LEU CB C 25 41.200 40.973 0.227 1
1 283 . 1 1 1 A 25 25 LEU N N 25 121.800 119.655 2.145 1
1 284 . 1 1 1 A 26 26 GLU H H 26 8.580 8.287 0.293 1
1 285 . 1 1 1 A 26 26 GLU HA H 26 4.200 3.963 0.237 1
1 290 . 1 1 1 A 26 26 GLU C C 26 181.200 179.009 2.191 1
1 291 . 1 1 1 A 26 26 GLU CA C 26 59.500 60.028 -0.528 1
1 292 . 1 1 1 A 26 26 GLU CB C 26 28.800 29.330 -0.530 1
1 294 . 1 1 1 A 26 26 GLU N N 26 120.600 118.082 2.518 1
1 295 . 1 1 1 A 27 27 ASP H H 27 9.360 8.274 1.086 1
1 296 . 1 1 1 A 27 27 ASP HA H 27 4.270 4.337 -0.067 1
1 299 . 1 1 1 A 27 27 ASP C C 27 177.400 178.568 -1.168 1
1 300 . 1 1 1 A 27 27 ASP CA C 27 56.400 57.107 -0.707 1
1 301 . 1 1 1 A 27 27 ASP CB C 27 40.000 40.867 -0.867 1
1 302 . 1 1 1 A 27 27 ASP N N 27 121.800 119.911 1.889 1
1 303 . 1 1 1 A 28 28 HIS H H 28 7.340 8.021 -0.681 1
1 304 . 1 1 1 A 28 28 HIS HA H 28 4.250 4.303 -0.053 1
1 309 . 1 1 1 A 28 28 HIS C C 28 173.600 175.337 -1.737 1
1 310 . 1 1 1 A 28 28 HIS CA C 28 56.700 58.218 -1.518 1
1 311 . 1 1 1 A 28 28 HIS CB C 28 27.500 30.390 -2.890 1
1 314 . 1 1 1 A 28 28 HIS N N 28 113.400 119.230 -5.830 1
1 315 . 1 1 1 A 29 29 GLY H H 29 7.790 8.003 -0.213 1
1 316 . 1 1 1 A 29 29 GLY HA2 H 29 3.870 3.897 -0.027 1
1 317 . 1 1 1 A 29 29 GLY HA3 H 29 3.870 3.903 -0.033 1
1 318 . 1 1 1 A 29 29 GLY C C 29 174.200 174.163 0.037 1
1 319 . 1 1 1 A 29 29 GLY CA C 29 46.900 45.500 1.400 1
1 320 . 1 1 1 A 29 29 GLY N N 29 109.400 106.994 2.406 1
1 321 . 1 1 1 A 30 30 ILE H H 30 8.120 7.946 0.174 1
1 322 . 1 1 1 A 30 30 ILE HA H 30 4.040 4.586 -0.546 1
1 332 . 1 1 1 A 30 30 ILE C C 30 175.500 174.430 1.070 1
1 333 . 1 1 1 A 30 30 ILE CA C 30 60.000 60.153 -0.153 1
1 334 . 1 1 1 A 30 30 ILE CB C 30 38.100 39.908 -1.808 1
1 338 . 1 1 1 A 30 30 ILE N N 30 121.800 121.714 0.086 1
1 339 . 1 1 1 A 31 31 ASP H H 31 8.430 8.787 -0.357 1
1 340 . 1 1 1 A 31 31 ASP HA H 31 4.650 5.236 -0.586 1
1 343 . 1 1 1 A 31 31 ASP C C 31 175.800 175.378 0.422 1
1 344 . 1 1 1 A 31 31 ASP CA C 31 54.600 53.709 0.891 1
1 345 . 1 1 1 A 31 31 ASP CB C 31 41.600 41.922 -0.322 1
1 346 . 1 1 1 A 31 31 ASP N N 31 128.500 127.053 1.447 1
1 347 . 1 1 1 A 32 32 TYR H H 32 7.920 9.202 -1.282 1
1 348 . 1 1 1 A 32 32 TYR HA H 32 5.500 5.572 -0.072 1
1 355 . 1 1 1 A 32 32 TYR C C 32 173.800 175.125 -1.325 1
1 356 . 1 1 1 A 32 32 TYR CA C 32 56.100 56.061 0.039 1
1 357 . 1 1 1 A 32 32 TYR CB C 32 41.700 41.288 0.412 1
1 362 . 1 1 1 A 32 32 TYR N N 32 117.500 122.314 -4.814 1
1 363 . 1 1 1 A 33 33 THR H H 33 8.900 8.878 0.022 1
1 364 . 1 1 1 A 33 33 THR HA H 33 4.470 4.628 -0.158 1
1 369 . 1 1 1 A 33 33 THR C C 33 172.900 173.795 -0.895 1
1 370 . 1 1 1 A 33 33 THR CA C 33 61.800 62.372 -0.572 1
1 371 . 1 1 1 A 33 33 THR CB C 33 70.800 69.316 1.484 1
1 373 . 1 1 1 A 33 33 THR N N 33 117.100 119.424 -2.324 1
1 374 . 1 1 1 A 34 34 PHE H H 34 9.280 9.001 0.279 1
1 375 . 1 1 1 A 34 34 PHE HA H 34 5.520 4.703 0.817 1
1 383 . 1 1 1 A 34 34 PHE CA C 34 53.900 57.857 -3.957 1
1 384 . 1 1 1 A 34 34 PHE CB C 34 39.900 39.295 0.605 1
1 390 . 1 1 1 A 34 34 PHE N N 34 128.200 128.029 0.171 1
1 391 . 1 1 1 A 35 35 HIS H H 35 9.210 8.826 0.384 1
1 392 . 1 1 1 A 35 35 HIS HA H 35 4.240 4.894 -0.654 1
1 397 . 1 1 1 A 35 35 HIS CA C 35 54.900 54.053 0.847 1
1 398 . 1 1 1 A 35 35 HIS CB C 35 30.700 32.751 -2.051 1
1 401 . 1 1 1 A 35 35 HIS N N 35 133.900 128.025 5.875 1
1 402 . 1 1 1 A 36 36 ASP H H 36 7.930 8.388 -0.458 1
1 403 . 1 1 1 A 36 36 ASP HA H 36 4.470 4.991 -0.521 1
1 406 . 1 1 1 A 36 36 ASP C C 36 178.500 176.806 1.694 1
1 407 . 1 1 1 A 36 36 ASP CA C 36 50.900 54.017 -3.117 1
1 408 . 1 1 1 A 36 36 ASP CB C 36 42.200 42.980 -0.780 1
1 409 . 1 1 1 A 36 36 ASP N N 36 127.000 128.194 -1.194 1
1 410 . 1 1 1 A 37 37 TYR H H 37 9.290 9.157 0.133 1
1 417 . 1 1 1 A 37 37 TYR C C 37 178.700 177.350 1.350 1
1 418 . 1 1 1 A 37 37 TYR CA C 37 58.700 61.135 -2.435 1
1 419 . 1 1 1 A 37 37 TYR CB C 37 39.100 37.921 1.179 1
1 424 . 1 1 1 A 37 37 TYR N N 37 126.400 124.561 1.839 1
1 425 . 1 1 1 A 38 38 LYS H H 38 8.880 6.655 2.225 1
1 426 . 1 1 1 A 38 38 LYS HA H 38 4.300 4.022 0.278 1
1 429 . 1 1 1 A 38 38 LYS CA C 38 57.700 58.413 -0.713 1
1 430 . 1 1 1 A 38 38 LYS CB C 38 31.600 31.871 -0.271 1
1 434 . 1 1 1 A 38 38 LYS N N 38 115.800 120.923 -5.123 1
1 435 . 1 1 1 A 39 39 LYS H H 39 7.330 7.928 -0.598 1
1 436 . 1 1 1 A 39 39 LYS HA H 39 4.420 3.916 0.504 1
1 443 . 1 1 1 A 39 39 LYS CA C 39 57.500 59.732 -2.232 1
1 444 . 1 1 1 A 39 39 LYS CB C 39 34.600 32.336 2.264 1
1 448 . 1 1 1 A 39 39 LYS N N 39 118.800 120.464 -1.664 1
1 449 . 1 1 1 A 40 40 GLU H H 40 8.570 7.982 0.588 1
1 450 . 1 1 1 A 40 40 GLU HA H 40 4.280 4.192 0.088 1
1 455 . 1 1 1 A 40 40 GLU CA C 40 57.900 55.762 2.138 1
1 456 . 1 1 1 A 40 40 GLU CB C 40 29.300 29.436 -0.136 1
1 458 . 1 1 1 A 40 40 GLU N N 40 117.600 114.911 2.689 1
1 459 . 1 1 1 A 41 41 GLY H H 41 7.470 7.846 -0.376 1
1 460 . 1 1 1 A 41 41 GLY HA2 H 41 4.310 3.941 0.369 1
1 461 . 1 1 1 A 41 41 GLY HA3 H 41 4.170 3.950 0.220 1
1 462 . 1 1 1 A 41 41 GLY CA C 41 44.900 45.829 -0.929 1
1 463 . 1 1 1 A 41 41 GLY N N 41 106.300 108.644 -2.344 1
1 464 . 1 1 1 A 42 42 LEU H H 42 8.290 8.355 -0.065 1
1 465 . 1 1 1 A 42 42 LEU HA H 42 4.950 4.710 0.240 1
1 475 . 1 1 1 A 42 42 LEU C C 42 173.800 174.919 -1.119 1
1 476 . 1 1 1 A 42 42 LEU CA C 42 54.500 54.795 -0.295 1
1 477 . 1 1 1 A 42 42 LEU CB C 42 43.400 43.009 0.391 1
1 481 . 1 1 1 A 42 42 LEU N N 42 121.000 123.873 -2.873 1
1 482 . 1 1 1 A 43 43 ASP H H 43 8.520 8.164 0.356 1
1 483 . 1 1 1 A 43 43 ASP HA H 43 4.800 4.985 -0.185 1
1 486 . 1 1 1 A 43 43 ASP C C 43 175.400 175.651 -0.251 1
1 487 . 1 1 1 A 43 43 ASP CA C 43 51.600 52.714 -1.114 1
1 488 . 1 1 1 A 43 43 ASP CB C 43 42.200 44.450 -2.250 1
1 489 . 1 1 1 A 43 43 ASP N N 43 124.800 126.505 -1.705 1
1 490 . 1 1 1 A 44 44 ALA H H 44 8.640 8.738 -0.098 1
1 491 . 1 1 1 A 44 44 ALA HA H 44 3.780 4.058 -0.278 1
1 495 . 1 1 1 A 44 44 ALA C C 44 178.100 179.526 -1.426 1
1 496 . 1 1 1 A 44 44 ALA CA C 44 55.400 55.608 -0.208 1
1 497 . 1 1 1 A 44 44 ALA CB C 44 18.100 18.214 -0.114 1
1 498 . 1 1 1 A 44 44 ALA N N 44 122.400 125.416 -3.016 1
1 499 . 1 1 1 A 45 45 GLU H H 45 8.240 8.130 0.110 1
1 500 . 1 1 1 A 45 45 GLU HA H 45 3.920 3.998 -0.078 1
1 505 . 1 1 1 A 45 45 GLU C C 45 179.300 178.892 0.408 1
1 506 . 1 1 1 A 45 45 GLU CA C 45 59.800 59.521 0.279 1
1 507 . 1 1 1 A 45 45 GLU CB C 45 29.200 29.586 -0.386 1
1 509 . 1 1 1 A 45 45 GLU N N 45 115.600 118.983 -3.383 1
1 510 . 1 1 1 A 46 46 THR H H 46 7.910 8.117 -0.207 1
1 511 . 1 1 1 A 46 46 THR HA H 46 3.500 3.732 -0.232 1
1 516 . 1 1 1 A 46 46 THR C C 46 174.300 176.198 -1.898 1
1 517 . 1 1 1 A 46 46 THR CA C 46 66.600 67.211 -0.611 1
1 518 . 1 1 1 A 46 46 THR CB C 46 67.700 68.569 -0.869 1
1 520 . 1 1 1 A 46 46 THR N N 46 117.700 116.254 1.446 1
1 521 . 1 1 1 A 47 47 LEU H H 47 7.710 8.495 -0.785 1
1 522 . 1 1 1 A 47 47 LEU HA H 47 3.510 4.131 -0.621 1
1 532 . 1 1 1 A 47 47 LEU C C 47 178.000 178.279 -0.279 1
1 533 . 1 1 1 A 47 47 LEU CA C 47 57.900 58.481 -0.581 1
1 534 . 1 1 1 A 47 47 LEU CB C 47 41.500 41.712 -0.212 1
1 538 . 1 1 1 A 47 47 LEU N N 47 120.400 121.266 -0.866 1
1 539 . 1 1 1 A 48 48 ASP H H 48 9.000 8.294 0.706 1
1 540 . 1 1 1 A 48 48 ASP HA H 48 4.490 4.231 0.259 1
1 543 . 1 1 1 A 48 48 ASP C C 48 179.100 178.306 0.794 1
1 544 . 1 1 1 A 48 48 ASP CA C 48 57.500 57.867 -0.367 1
1 545 . 1 1 1 A 48 48 ASP CB C 48 39.100 42.069 -2.969 1
1 546 . 1 1 1 A 48 48 ASP N N 48 116.800 118.280 -1.480 1
1 547 . 1 1 1 A 49 49 ARG H H 49 7.560 7.911 -0.351 1
1 548 . 1 1 1 A 49 49 ARG HA H 49 4.110 3.949 0.161 1
1 555 . 1 1 1 A 49 49 ARG C C 49 180.100 179.139 0.961 1
1 556 . 1 1 1 A 49 49 ARG CA C 49 60.300 59.441 0.859 1
1 557 . 1 1 1 A 49 49 ARG CB C 49 29.600 29.466 0.134 1
1 560 . 1 1 1 A 49 49 ARG N N 49 122.100 118.568 3.532 1
1 561 . 1 1 1 A 50 50 PHE H H 50 8.300 8.057 0.243 1
1 562 . 1 1 1 A 50 50 PHE HA H 50 4.550 4.352 0.198 1
1 569 . 1 1 1 A 50 50 PHE C C 50 178.400 178.307 0.093 1
1 570 . 1 1 1 A 50 50 PHE CA C 50 57.500 60.202 -2.702 1
1 571 . 1 1 1 A 50 50 PHE CB C 50 36.900 38.358 -1.458 1
1 576 . 1 1 1 A 50 50 PHE N N 50 122.100 119.519 2.581 1
1 577 . 1 1 1 A 51 51 LEU H H 51 8.460 8.807 -0.347 1
1 587 . 1 1 1 A 51 51 LEU CA C 51 55.920 58.085 -2.165 1
1 588 . 1 1 1 A 51 51 LEU CB C 51 42.400 41.368 1.032 1
1 592 . 1 1 1 A 51 51 LEU N N 51 117.000 120.187 -3.187 1
1 593 . 1 1 1 A 52 52 LYS H H 52 7.660 8.051 -0.391 1
1 594 . 1 1 1 A 52 52 LYS HA H 52 4.180 4.161 0.019 1
1 603 . 1 1 1 A 52 52 LYS C C 52 178.300 178.831 -0.531 1
1 604 . 1 1 1 A 52 52 LYS CA C 52 58.700 58.821 -0.121 1
1 605 . 1 1 1 A 52 52 LYS CB C 52 32.700 32.326 0.374 1
1 609 . 1 1 1 A 52 52 LYS N N 52 119.100 119.945 -0.845 1
1 610 . 1 1 1 A 53 53 THR H H 53 7.430 7.561 -0.131 1
1 611 . 1 1 1 A 53 53 THR HA H 53 4.570 4.281 0.289 1
1 616 . 1 1 1 A 53 53 THR C C 53 173.800 174.888 -1.088 1
1 617 . 1 1 1 A 53 53 THR CA C 53 62.600 64.445 -1.845 1
1 618 . 1 1 1 A 53 53 THR CB C 53 70.800 69.673 1.127 1
1 620 . 1 1 1 A 53 53 THR N N 53 107.400 110.957 -3.557 1
1 621 . 1 1 1 A 54 54 VAL H H 54 8.500 7.461 1.039 1
1 622 . 1 1 1 A 54 54 VAL HA H 54 4.540 4.860 -0.320 1
1 630 . 1 1 1 A 54 54 VAL C C 54 179.400 173.232 6.168 1
1 631 . 1 1 1 A 54 54 VAL CA C 54 59.100 58.215 0.885 1
1 632 . 1 1 1 A 54 54 VAL CB C 54 33.500 34.315 -0.815 1
1 635 . 1 1 1 A 54 54 VAL N N 54 125.200 114.125 11.075 1
1 636 . 1 1 1 A 55 55 PRO HA H 55 4.590 4.517 0.073 1
1 643 . 1 1 1 A 55 55 PRO C C 55 179.400 177.596 1.804 1
1 644 . 1 1 1 A 55 55 PRO CA C 55 62.100 62.648 -0.548 1
1 645 . 1 1 1 A 55 55 PRO CB C 55 32.900 32.212 0.688 1
1 648 . 1 1 1 A 56 56 TRP H H 56 8.690 8.553 0.137 1
1 649 . 1 1 1 A 56 56 TRP HA H 56 3.990 4.372 -0.382 1
1 657 . 1 1 1 A 56 56 TRP C C 56 177.500 177.935 -0.435 1
1 658 . 1 1 1 A 56 56 TRP CA C 56 61.000 60.010 0.990 1
1 659 . 1 1 1 A 56 56 TRP CB C 56 27.400 28.843 -1.443 1
1 664 . 1 1 1 A 56 56 TRP N N 56 122.500 125.308 -2.808 1
1 666 . 1 1 1 A 57 57 GLU H H 57 8.410 8.036 0.374 1
1 667 . 1 1 1 A 57 57 GLU HA H 57 3.270 4.113 -0.843 1
1 672 . 1 1 1 A 57 57 GLU C C 57 178.000 177.239 0.761 1
1 673 . 1 1 1 A 57 57 GLU CA C 57 60.200 58.629 1.571 1
1 674 . 1 1 1 A 57 57 GLU CB C 57 28.200 28.250 -0.050 1
1 676 . 1 1 1 A 57 57 GLU N N 57 120.600 118.932 1.668 1
1 677 . 1 1 1 A 58 58 GLN H H 58 7.600 7.672 -0.072 1
1 678 . 1 1 1 A 58 58 GLN HA H 58 4.170 4.611 -0.441 1
1 683 . 1 1 1 A 58 58 GLN C C 58 175.500 175.949 -0.449 1
1 684 . 1 1 1 A 58 58 GLN CA C 58 56.000 54.667 1.333 1
1 685 . 1 1 1 A 58 58 GLN CB C 58 29.600 28.808 0.792 1
1 687 . 1 1 1 A 58 58 GLN N N 58 114.700 118.375 -3.675 1
1 688 . 1 1 1 A 59 59 LEU H H 59 7.440 7.999 -0.559 1
1 689 . 1 1 1 A 59 59 LEU HA H 59 4.220 4.459 -0.239 1
1 699 . 1 1 1 A 59 59 LEU C C 59 175.100 176.518 -1.418 1
1 700 . 1 1 1 A 59 59 LEU CA C 59 55.600 55.143 0.457 1
1 701 . 1 1 1 A 59 59 LEU CB C 59 44.700 43.353 1.347 1
1 705 . 1 1 1 A 59 59 LEU N N 59 119.500 118.878 0.622 1
1 706 . 1 1 1 A 60 60 LEU H H 60 8.120 7.468 0.652 1
1 707 . 1 1 1 A 60 60 LEU HA H 60 4.410 4.935 -0.525 1
1 717 . 1 1 1 A 60 60 LEU C C 60 176.100 176.016 0.084 1
1 718 . 1 1 1 A 60 60 LEU CA C 60 55.400 52.908 2.492 1
1 719 . 1 1 1 A 60 60 LEU CB C 60 42.900 45.253 -2.353 1
1 723 . 1 1 1 A 60 60 LEU N N 60 119.300 114.112 5.188 1
1 724 . 1 1 1 A 61 61 ASN H H 61 9.120 8.436 0.684 1
1 729 . 1 1 1 A 61 61 ASN C C 61 175.600 175.112 0.488 1
1 730 . 1 1 1 A 61 61 ASN CA C 61 51.300 53.793 -2.493 1
1 731 . 1 1 1 A 61 61 ASN CB C 61 36.800 38.871 -2.071 1
1 732 . 1 1 1 A 61 61 ASN N N 61 124.900 118.632 6.268 1
1 734 . 1 1 1 A 62 62 ARG H H 62 8.140 8.891 -0.751 1
1 735 . 1 1 1 A 62 62 ARG HA H 62 3.450 4.596 -1.146 1
1 742 . 1 1 1 A 62 62 ARG C C 62 175.200 176.570 -1.370 1
1 743 . 1 1 1 A 62 62 ARG CA C 62 57.600 55.982 1.618 1
1 744 . 1 1 1 A 62 62 ARG CB C 62 30.200 31.675 -1.475 1
1 747 . 1 1 1 A 62 62 ARG N N 62 125.500 120.861 4.639 1
1 748 . 1 1 1 A 63 63 ALA H H 63 7.610 7.761 -0.151 1
1 749 . 1 1 1 A 63 63 ALA HA H 63 4.460 4.409 0.051 1
1 753 . 1 1 1 A 63 63 ALA C C 63 178.300 177.490 0.810 1
1 754 . 1 1 1 A 63 63 ALA CA C 63 51.800 51.737 0.063 1
1 755 . 1 1 1 A 63 63 ALA CB C 63 19.300 18.825 0.475 1
1 756 . 1 1 1 A 63 63 ALA N N 63 118.600 121.379 -2.779 1
1 757 . 1 1 1 A 64 64 GLY H H 64 7.150 8.253 -1.103 1
1 758 . 1 1 1 A 64 64 GLY HA2 H 64 4.410 4.197 0.213 1
1 759 . 1 1 1 A 64 64 GLY HA3 H 64 4.020 4.201 -0.181 1
1 760 . 1 1 1 A 64 64 GLY C C 64 173.500 175.149 -1.649 1
1 761 . 1 1 1 A 64 64 GLY CA C 64 45.400 44.300 1.100 1
1 762 . 1 1 1 A 64 64 GLY N N 64 105.700 107.868 -2.168 1
1 763 . 1 1 1 A 65 65 THR H H 65 8.340 8.623 -0.283 1
1 764 . 1 1 1 A 65 65 THR HA H 65 3.880 4.065 -0.185 1
1 769 . 1 1 1 A 65 65 THR C C 65 176.300 176.534 -0.234 1
1 770 . 1 1 1 A 65 65 THR CA C 65 65.500 65.356 0.144 1
1 771 . 1 1 1 A 65 65 THR CB C 65 69.000 68.698 0.302 1
1 773 . 1 1 1 A 65 65 THR N N 65 113.400 114.773 -1.373 1
1 774 . 1 1 1 A 66 66 THR H H 66 7.940 8.368 -0.428 1
1 775 . 1 1 1 A 66 66 THR HA H 66 3.820 4.062 -0.242 1
1 780 . 1 1 1 A 66 66 THR C C 66 176.100 176.751 -0.651 1
1 781 . 1 1 1 A 66 66 THR CA C 66 67.000 65.546 1.454 1
1 782 . 1 1 1 A 66 66 THR CB C 66 68.000 67.925 0.075 1
1 784 . 1 1 1 A 66 66 THR N N 66 116.200 114.538 1.662 1
1 785 . 1 1 1 A 67 67 PHE H H 67 8.720 8.380 0.340 1
1 786 . 1 1 1 A 67 67 PHE HA H 67 4.130 4.090 0.040 1
1 793 . 1 1 1 A 67 67 PHE C C 67 176.900 177.523 -0.623 1
1 794 . 1 1 1 A 67 67 PHE CA C 67 61.500 61.413 0.087 1
1 795 . 1 1 1 A 67 67 PHE CB C 67 39.800 39.026 0.774 1
1 800 . 1 1 1 A 67 67 PHE N N 67 122.400 123.505 -1.105 1
1 801 . 1 1 1 A 68 68 ARG H H 68 7.750 7.686 0.064 1
1 802 . 1 1 1 A 68 68 ARG HA H 68 3.790 4.306 -0.516 1
1 809 . 1 1 1 A 68 68 ARG C C 68 176.800 178.563 -1.763 1
1 810 . 1 1 1 A 68 68 ARG CA C 68 59.200 58.591 0.609 1
1 811 . 1 1 1 A 68 68 ARG CB C 68 30.200 30.276 -0.076 1
1 814 . 1 1 1 A 68 68 ARG N N 68 114.400 117.994 -3.594 1
1 815 . 1 1 1 A 69 69 LYS H H 69 7.360 7.795 -0.435 1
1 816 . 1 1 1 A 69 69 LYS HA H 69 4.190 4.032 0.158 1
1 819 . 1 1 1 A 69 69 LYS C C 69 177.400 177.173 0.227 1
1 820 . 1 1 1 A 69 69 LYS CA C 69 56.700 59.522 -2.822 1
1 821 . 1 1 1 A 69 69 LYS CB C 69 33.000 32.266 0.734 1
1 825 . 1 1 1 A 69 69 LYS N N 69 115.600 119.490 -3.890 1
1 826 . 1 1 1 A 70 70 LEU H H 70 7.440 7.832 -0.392 1
1 827 . 1 1 1 A 70 70 LEU HA H 70 4.350 4.368 -0.018 1
1 830 . 1 1 1 A 70 70 LEU CA C 70 53.800 53.372 0.428 1
1 831 . 1 1 1 A 70 70 LEU CB C 70 41.000 40.578 0.422 1
1 832 . 1 1 1 A 70 70 LEU N N 70 121.400 120.473 0.927 1
1 833 . 1 1 1 A 71 71 PRO HA H 71 4.460 4.515 -0.055 1
1 840 . 1 1 1 A 71 71 PRO C C 71 177.500 176.274 1.226 1
1 841 . 1 1 1 A 71 71 PRO CA C 71 62.800 62.240 0.560 1
1 842 . 1 1 1 A 71 71 PRO CB C 71 32.600 33.291 -0.691 1
1 845 . 1 1 1 A 72 72 GLU H H 72 9.010 8.624 0.386 1
1 846 . 1 1 1 A 72 72 GLU HA H 72 3.650 3.993 -0.343 1
1 851 . 1 1 1 A 72 72 GLU C C 72 177.600 178.651 -1.051 1
1 852 . 1 1 1 A 72 72 GLU CA C 72 60.500 59.650 0.850 1
1 853 . 1 1 1 A 72 72 GLU CB C 72 29.900 29.198 0.702 1
1 855 . 1 1 1 A 72 72 GLU N N 72 124.100 119.927 4.173 1
1 856 . 1 1 1 A 73 73 ASP H H 73 8.860 7.923 0.937 1
1 857 . 1 1 1 A 73 73 ASP HA H 73 4.290 4.386 -0.096 1
1 860 . 1 1 1 A 73 73 ASP C C 73 177.600 178.474 -0.874 1
1 861 . 1 1 1 A 73 73 ASP CA C 73 56.700 57.781 -1.081 1
1 862 . 1 1 1 A 73 73 ASP CB C 73 39.300 41.700 -2.400 1
1 863 . 1 1 1 A 73 73 ASP N N 73 116.200 119.647 -3.447 1
1 864 . 1 1 1 A 74 74 VAL H H 74 7.120 8.040 -0.920 1
1 865 . 1 1 1 A 74 74 VAL HA H 74 3.740 3.441 0.299 1
1 873 . 1 1 1 A 74 74 VAL C C 74 178.200 177.899 0.301 1
1 874 . 1 1 1 A 74 74 VAL CA C 74 65.000 66.564 -1.564 1
1 875 . 1 1 1 A 74 74 VAL CB C 74 32.100 31.422 0.678 1
1 878 . 1 1 1 A 74 74 VAL N N 74 120.400 118.953 1.447 1
1 879 . 1 1 1 A 75 75 ARG H H 75 7.700 8.172 -0.472 1
1 880 . 1 1 1 A 75 75 ARG HA H 75 3.790 3.597 0.193 1
1 887 . 1 1 1 A 75 75 ARG C C 75 178.500 177.472 1.028 1
1 888 . 1 1 1 A 75 75 ARG CA C 75 59.600 59.467 0.133 1
1 889 . 1 1 1 A 75 75 ARG CB C 75 31.100 29.890 1.210 1
1 892 . 1 1 1 A 75 75 ARG N N 75 115.900 120.029 -4.129 1
1 893 . 1 1 1 A 76 76 SER H H 76 8.260 7.636 0.624 1
1 894 . 1 1 1 A 76 76 SER HA H 76 4.380 4.599 -0.219 1
1 897 . 1 1 1 A 76 76 SER C C 76 174.700 175.394 -0.694 1
1 898 . 1 1 1 A 76 76 SER CA C 76 60.500 59.565 0.935 1
1 899 . 1 1 1 A 76 76 SER CB C 76 63.500 64.086 -0.586 1
1 900 . 1 1 1 A 76 76 SER N N 76 111.800 114.629 -2.829 1
1 901 . 1 1 1 A 77 77 ASN H H 77 7.380 7.979 -0.599 1
1 902 . 1 1 1 A 77 77 ASN HA H 77 5.010 4.926 0.084 1
1 907 . 1 1 1 A 77 77 ASN C C 77 174.300 174.726 -0.426 1
1 908 . 1 1 1 A 77 77 ASN CA C 77 52.600 52.759 -0.159 1
1 909 . 1 1 1 A 77 77 ASN CB C 77 39.800 38.959 0.841 1
1 910 . 1 1 1 A 77 77 ASN N N 77 118.000 117.278 0.722 1
1 912 . 1 1 1 A 78 78 VAL H H 78 7.300 7.522 -0.222 1
1 913 . 1 1 1 A 78 78 VAL HA H 78 3.850 3.942 -0.092 1
1 921 . 1 1 1 A 78 78 VAL C C 78 173.200 174.288 -1.088 1
1 922 . 1 1 1 A 78 78 VAL CA C 78 63.600 62.320 1.280 1
1 923 . 1 1 1 A 78 78 VAL CB C 78 32.100 32.363 -0.263 1
1 926 . 1 1 1 A 78 78 VAL N N 78 121.200 121.232 -0.032 1
1 927 . 1 1 1 A 79 79 ASP H H 79 7.660 8.317 -0.657 1
1 928 . 1 1 1 A 79 79 ASP HA H 79 4.380 4.672 -0.292 1
1 931 . 1 1 1 A 79 79 ASP C C 79 173.700 175.872 -2.172 1
1 932 . 1 1 1 A 79 79 ASP CA C 79 51.500 51.816 -0.316 1
1 933 . 1 1 1 A 79 79 ASP CB C 79 41.800 44.134 -2.334 1
1 934 . 1 1 1 A 79 79 ASP N N 79 127.000 127.808 -0.808 1
1 935 . 1 1 1 A 80 80 ALA H H 80 8.110 8.546 -0.436 1
1 936 . 1 1 1 A 80 80 ALA HA H 80 2.420 3.521 -1.101 1
1 940 . 1 1 1 A 80 80 ALA C C 80 178.700 179.662 -0.962 1
1 941 . 1 1 1 A 80 80 ALA CA C 80 55.600 55.246 0.354 1
1 942 . 1 1 1 A 80 80 ALA CB C 80 18.600 17.973 0.627 1
1 943 . 1 1 1 A 80 80 ALA N N 80 119.900 123.189 -3.289 1
1 944 . 1 1 1 A 81 81 ALA H H 81 7.760 8.047 -0.287 1
1 945 . 1 1 1 A 81 81 ALA HA H 81 4.030 3.923 0.107 1
1 949 . 1 1 1 A 81 81 ALA C C 81 180.700 179.891 0.809 1
1 950 . 1 1 1 A 81 81 ALA CA C 81 54.800 55.215 -0.415 1
1 951 . 1 1 1 A 81 81 ALA CB C 81 18.300 18.591 -0.291 1
1 952 . 1 1 1 A 81 81 ALA N N 81 118.500 120.034 -1.534 1
1 953 . 1 1 1 A 82 82 SER H H 82 8.480 8.095 0.385 1
1 954 . 1 1 1 A 82 82 SER HA H 82 4.240 4.014 0.226 1
1 957 . 1 1 1 A 82 82 SER C C 82 177.200 176.308 0.892 1
1 958 . 1 1 1 A 82 82 SER CA C 82 60.300 62.011 -1.711 1
1 959 . 1 1 1 A 82 82 SER CB C 82 62.700 62.748 -0.048 1
1 960 . 1 1 1 A 82 82 SER N N 82 115.300 113.391 1.909 1
1 961 . 1 1 1 A 83 83 ALA H H 83 8.970 8.003 0.967 1
1 962 . 1 1 1 A 83 83 ALA HA H 83 3.820 3.997 -0.177 1
1 966 . 1 1 1 A 83 83 ALA C C 83 178.600 180.123 -1.523 1
1 967 . 1 1 1 A 83 83 ALA CA C 83 55.600 55.289 0.311 1
1 968 . 1 1 1 A 83 83 ALA CB C 83 19.400 18.324 1.076 1
1 969 . 1 1 1 A 83 83 ALA N N 83 124.700 123.138 1.562 1
1 970 . 1 1 1 A 84 84 ARG H H 84 7.250 8.424 -1.174 1
1 971 . 1 1 1 A 84 84 ARG HA H 84 3.740 4.089 -0.349 1
1 978 . 1 1 1 A 84 84 ARG C C 84 176.600 179.100 -2.500 1
1 979 . 1 1 1 A 84 84 ARG CA C 84 60.100 59.880 0.220 1
1 980 . 1 1 1 A 84 84 ARG CB C 84 29.900 30.022 -0.122 1
1 983 . 1 1 1 A 84 84 ARG N N 84 116.500 117.758 -1.258 1
1 984 . 1 1 1 A 85 85 GLU H H 85 7.240 8.148 -0.908 1
1 985 . 1 1 1 A 85 85 GLU HA H 85 3.890 4.011 -0.121 1
1 990 . 1 1 1 A 85 85 GLU C C 85 179.800 179.856 -0.056 1
1 991 . 1 1 1 A 85 85 GLU CA C 85 59.200 59.110 0.090 1
1 992 . 1 1 1 A 85 85 GLU CB C 85 29.300 29.377 -0.077 1
1 994 . 1 1 1 A 85 85 GLU N N 85 115.600 119.893 -4.293 1
1 995 . 1 1 1 A 86 86 LEU H H 86 8.620 8.181 0.439 1
1 996 . 1 1 1 A 86 86 LEU HA H 86 4.030 4.097 -0.067 1
1 1006 . 1 1 1 A 86 86 LEU C C 86 178.600 179.487 -0.887 1
1 1007 . 1 1 1 A 86 86 LEU CA C 86 58.100 57.700 0.400 1
1 1008 . 1 1 1 A 86 86 LEU CB C 86 42.200 41.176 1.024 1
1 1012 . 1 1 1 A 86 86 LEU N N 86 120.800 120.286 0.514 1
1 1013 . 1 1 1 A 87 87 MET H H 87 7.840 8.134 -0.294 1
1 1014 . 1 1 1 A 87 87 MET HA H 87 3.680 4.114 -0.434 1
1 1022 . 1 1 1 A 87 87 MET C C 87 175.600 178.365 -2.765 1
1 1023 . 1 1 1 A 87 87 MET CA C 87 60.000 58.698 1.302 1
1 1024 . 1 1 1 A 87 87 MET CB C 87 34.300 33.413 0.887 1
1 1027 . 1 1 1 A 87 87 MET N N 87 116.700 117.407 -0.707 1
1 1028 . 1 1 1 A 88 88 LEU H H 88 7.490 8.208 -0.718 1
1 1029 . 1 1 1 A 88 88 LEU HA H 88 3.890 4.088 -0.198 1
1 1039 . 1 1 1 A 88 88 LEU C C 88 179.200 178.608 0.592 1
1 1040 . 1 1 1 A 88 88 LEU CA C 88 57.000 57.550 -0.550 1
1 1041 . 1 1 1 A 88 88 LEU CB C 88 41.800 41.387 0.413 1
1 1045 . 1 1 1 A 88 88 LEU N N 88 113.400 121.014 -7.614 1
1 1046 . 1 1 1 A 89 89 ALA H H 89 7.690 7.745 -0.055 1
1 1047 . 1 1 1 A 89 89 ALA HA H 89 4.210 4.291 -0.081 1
1 1051 . 1 1 1 A 89 89 ALA C C 89 179.100 177.923 1.177 1
1 1052 . 1 1 1 A 89 89 ALA CA C 89 54.100 54.291 -0.191 1
1 1053 . 1 1 1 A 89 89 ALA CB C 89 19.200 19.532 -0.332 1
1 1054 . 1 1 1 A 89 89 ALA N N 89 119.100 120.395 -1.295 1
1 1055 . 1 1 1 A 90 90 GLN H H 90 8.100 8.147 -0.047 1
1 1062 . 1 1 1 A 90 90 GLN CA C 90 53.400 53.122 0.278 1
1 1063 . 1 1 1 A 90 90 GLN CB C 90 30.900 28.633 2.267 1
1 1064 . 1 1 1 A 90 90 GLN N N 90 115.100 115.227 -0.127 1
1 1066 . 1 1 1 A 91 91 PRO HA H 91 4.530 4.338 0.192 1
1 1073 . 1 1 1 A 91 91 PRO C C 91 178.300 177.052 1.248 1
1 1074 . 1 1 1 A 91 91 PRO CA C 91 64.300 64.053 0.247 1
1 1075 . 1 1 1 A 91 91 PRO CB C 91 31.800 31.837 -0.037 1
1 1078 . 1 1 1 A 92 92 SER H H 92 8.510 7.987 0.523 1
1 1079 . 1 1 1 A 92 92 SER HA H 92 4.310 3.702 0.608 1
1 1082 . 1 1 1 A 92 92 SER C C 92 174.200 175.174 -0.974 1
1 1083 . 1 1 1 A 92 92 SER CA C 92 62.000 60.107 1.893 1
1 1084 . 1 1 1 A 92 92 SER CB C 92 62.500 62.286 0.214 1
1 1085 . 1 1 1 A 92 92 SER N N 92 115.000 113.879 1.121 1
1 1086 . 1 1 1 A 93 93 MET H H 93 8.790 7.572 1.218 1
1 1087 . 1 1 1 A 93 93 MET HA H 93 4.560 4.380 0.180 1
1 1092 . 1 1 1 A 93 93 MET C C 93 174.900 176.527 -1.627 1
1 1093 . 1 1 1 A 93 93 MET CA C 93 56.900 56.177 0.723 1
1 1094 . 1 1 1 A 93 93 MET CB C 93 35.000 32.580 2.420 1
1 1096 . 1 1 1 A 93 93 MET N N 93 118.400 117.826 0.574 1
1 1097 . 1 1 1 A 94 94 VAL H H 94 7.540 7.397 0.143 1
1 1098 . 1 1 1 A 94 94 VAL HA H 94 4.080 4.019 0.061 1
1 1106 . 1 1 1 A 94 94 VAL C C 94 178.000 175.893 2.107 1
1 1107 . 1 1 1 A 94 94 VAL CA C 94 63.100 63.146 -0.046 1
1 1108 . 1 1 1 A 94 94 VAL CB C 94 31.700 31.872 -0.172 1
1 1111 . 1 1 1 A 94 94 VAL N N 94 121.000 123.134 -2.134 1
1 1112 . 1 1 1 A 95 95 LYS H H 95 9.550 8.741 0.809 1
1 1113 . 1 1 1 A 95 95 LYS HA H 95 3.940 4.082 -0.142 1
1 1116 . 1 1 1 A 95 95 LYS CA C 95 58.800 56.495 2.305 1
1 1117 . 1 1 1 A 95 95 LYS CB C 95 33.500 32.771 0.729 1
1 1121 . 1 1 1 A 95 95 LYS N N 95 131.200 125.081 6.119 1
1 1122 . 1 1 1 A 96 96 ARG H H 96 8.260 8.698 -0.438 1
1 1125 . 1 1 1 A 96 96 ARG CA C 96 52.700 54.502 -1.802 1
1 1126 . 1 1 1 A 96 96 ARG CB C 96 34.400 32.850 1.550 1
1 1127 . 1 1 1 A 96 96 ARG N N 96 117.100 118.574 -1.474 1
1 1134 . 1 1 1 A 97 97 PRO C C 97 176.600 175.193 1.407 1
1 1135 . 1 1 1 A 97 97 PRO CA C 97 62.400 62.438 -0.038 1
1 1136 . 1 1 1 A 97 97 PRO CB C 97 34.700 33.077 1.623 1
1 1139 . 1 1 1 A 98 98 VAL H H 98 7.540 8.383 -0.843 1
1 1140 . 1 1 1 A 98 98 VAL HA H 98 4.460 4.842 -0.382 1
1 1148 . 1 1 1 A 98 98 VAL C C 98 173.500 174.633 -1.133 1
1 1149 . 1 1 1 A 98 98 VAL CA C 98 64.000 60.433 3.567 1
1 1150 . 1 1 1 A 98 98 VAL CB C 98 33.600 35.742 -2.142 1
1 1153 . 1 1 1 A 98 98 VAL N N 98 117.800 119.755 -1.955 1
1 1154 . 1 1 1 A 99 99 LEU H H 99 9.030 9.105 -0.075 1
1 1155 . 1 1 1 A 99 99 LEU HA H 99 5.410 5.261 0.149 1
1 1165 . 1 1 1 A 99 99 LEU C C 99 173.800 175.293 -1.493 1
1 1166 . 1 1 1 A 99 99 LEU CA C 99 54.300 52.794 1.506 1
1 1167 . 1 1 1 A 99 99 LEU CB C 99 45.800 43.650 2.150 1
1 1171 . 1 1 1 A 99 99 LEU N N 99 131.400 126.869 4.531 1
1 1172 . 1 1 1 A 100 100 GLU H H 100 9.390 9.136 0.254 1
1 1173 . 1 1 1 A 100 100 GLU HA H 100 5.050 5.108 -0.058 1
1 1178 . 1 1 1 A 100 100 GLU C C 100 174.200 175.271 -1.071 1
1 1179 . 1 1 1 A 100 100 GLU CA C 100 55.300 54.727 0.573 1
1 1180 . 1 1 1 A 100 100 GLU CB C 100 35.600 32.637 2.963 1
1 1182 . 1 1 1 A 100 100 GLU N N 100 125.800 126.103 -0.303 1
1 1183 . 1 1 1 A 101 101 ARG H H 101 7.610 8.629 -1.019 1
1 1184 . 1 1 1 A 101 101 ARG C C 101 175.900 176.022 -0.122 1
1 1185 . 1 1 1 A 101 101 ARG CA C 101 56.700 54.608 2.092 1
1 1186 . 1 1 1 A 101 101 ARG CB C 101 32.500 32.849 -0.349 1
1 1189 . 1 1 1 A 101 101 ARG N N 101 125.100 126.172 -1.072 1
1 1190 . 1 1 1 A 102 102 ASP H H 102 10.080 9.412 0.668 1
1 1191 . 1 1 1 A 102 102 ASP HA H 102 4.450 4.284 0.166 1
1 1194 . 1 1 1 A 102 102 ASP C C 102 175.700 175.172 0.528 1
1 1195 . 1 1 1 A 102 102 ASP CA C 102 55.300 55.051 0.249 1
1 1196 . 1 1 1 A 102 102 ASP CB C 102 40.500 39.769 0.731 1
1 1197 . 1 1 1 A 102 102 ASP N N 102 132.000 124.532 7.468 1
1 1198 . 1 1 1 A 103 103 GLY H H 103 8.870 8.338 0.532 1
1 1199 . 1 1 1 A 103 103 GLY HA2 H 103 4.120 3.901 0.219 1
1 1200 . 1 1 1 A 103 103 GLY HA3 H 103 3.830 3.911 -0.081 1
1 1201 . 1 1 1 A 103 103 GLY C C 103 174.000 174.255 -0.255 1
1 1202 . 1 1 1 A 103 103 GLY CA C 103 45.600 45.128 0.472 1
1 1203 . 1 1 1 A 103 103 GLY N N 103 102.900 104.513 -1.613 1
1 1204 . 1 1 1 A 104 104 LYS H H 104 8.130 7.847 0.283 1
1 1205 . 1 1 1 A 104 104 LYS HA H 104 4.650 4.244 0.406 1
1 1208 . 1 1 1 A 104 104 LYS C C 104 176.500 175.378 1.122 1
1 1209 . 1 1 1 A 104 104 LYS CA C 104 55.500 56.612 -1.112 1
1 1210 . 1 1 1 A 104 104 LYS CB C 104 32.600 33.117 -0.517 1
1 1214 . 1 1 1 A 104 104 LYS N N 104 122.400 122.743 -0.343 1
1 1215 . 1 1 1 A 105 105 LEU H H 105 8.920 8.694 0.226 1
1 1216 . 1 1 1 A 105 105 LEU HA H 105 5.420 5.159 0.261 1
1 1226 . 1 1 1 A 105 105 LEU C C 105 177.200 175.132 2.068 1
1 1227 . 1 1 1 A 105 105 LEU CA C 105 54.300 53.507 0.793 1
1 1228 . 1 1 1 A 105 105 LEU CB C 105 45.400 44.896 0.504 1
1 1232 . 1 1 1 A 105 105 LEU N N 105 129.200 128.946 0.254 1
1 1233 . 1 1 1 A 106 106 MET H H 106 8.860 8.800 0.060 1
1 1234 . 1 1 1 A 106 106 MET HA H 106 4.580 5.157 -0.577 1
1 1239 . 1 1 1 A 106 106 MET C C 106 174.500 174.353 0.147 1
1 1240 . 1 1 1 A 106 106 MET CA C 106 55.300 54.238 1.062 1
1 1241 . 1 1 1 A 106 106 MET CB C 106 36.500 35.910 0.590 1
1 1243 . 1 1 1 A 106 106 MET N N 106 121.500 125.374 -3.874 1
1 1244 . 1 1 1 A 107 107 VAL H H 107 9.180 8.516 0.664 1
1 1245 . 1 1 1 A 107 107 VAL HA H 107 4.690 4.264 0.426 1
1 1253 . 1 1 1 A 107 107 VAL C C 107 176.200 175.808 0.392 1
1 1254 . 1 1 1 A 107 107 VAL CA C 107 61.400 60.847 0.553 1
1 1255 . 1 1 1 A 107 107 VAL CB C 107 33.400 33.045 0.355 1
1 1258 . 1 1 1 A 107 107 VAL N N 107 129.500 124.251 5.249 1
1 1259 . 1 1 1 A 108 108 GLY H H 108 8.730 8.438 0.292 1
1 1260 . 1 1 1 A 108 108 GLY HA2 H 108 4.430 3.688 0.742 1
1 1261 . 1 1 1 A 108 108 GLY HA3 H 108 3.850 3.812 0.038 1
1 1262 . 1 1 1 A 108 108 GLY CA C 108 43.800 45.481 -1.681 1
1 1263 . 1 1 1 A 108 108 GLY N N 108 113.600 112.947 0.653 1
1 1271 . 1 1 1 A 109 109 PHE C C 109 172.700 175.495 -2.795 1
1 1272 . 1 1 1 A 109 109 PHE CA C 109 58.900 56.405 2.495 1
1 1273 . 1 1 1 A 109 109 PHE CB C 109 42.100 42.305 -0.205 1
1 1279 . 1 1 1 A 110 110 LYS H H 110 6.510 8.723 -2.213 1
1 1282 . 1 1 1 A 110 110 LYS CA C 110 53.500 55.012 -1.512 1
1 1283 . 1 1 1 A 110 110 LYS CB C 110 34.800 31.979 2.821 1
1 1284 . 1 1 1 A 110 110 LYS N N 110 126.600 121.322 5.278 1
1 1285 . 1 1 1 A 111 111 PRO HA H 111 3.360 4.155 -0.795 1
1 1292 . 1 1 1 A 111 111 PRO C C 111 177.100 178.583 -1.483 1
1 1293 . 1 1 1 A 111 111 PRO CA C 111 66.600 65.676 0.924 1
1 1294 . 1 1 1 A 111 111 PRO CB C 111 31.700 31.767 -0.067 1
1 1297 . 1 1 1 A 112 112 ALA H H 112 8.450 8.319 0.131 1
1 1298 . 1 1 1 A 112 112 ALA HA H 112 4.140 4.088 0.052 1
1 1302 . 1 1 1 A 112 112 ALA C C 112 180.300 180.648 -0.348 1
1 1303 . 1 1 1 A 112 112 ALA CA C 112 54.900 55.397 -0.497 1
1 1304 . 1 1 1 A 112 112 ALA CB C 112 18.800 18.498 0.302 1
1 1305 . 1 1 1 A 112 112 ALA N N 112 116.200 118.630 -2.430 1
1 1306 . 1 1 1 A 113 113 GLN H H 113 6.880 7.779 -0.899 1
1 1307 . 1 1 1 A 113 113 GLN HA H 113 4.130 4.046 0.084 1
1 1314 . 1 1 1 A 113 113 GLN C C 113 178.400 178.231 0.169 1
1 1315 . 1 1 1 A 113 113 GLN CA C 113 60.100 59.061 1.039 1
1 1316 . 1 1 1 A 113 113 GLN CB C 113 29.100 28.682 0.418 1
1 1318 . 1 1 1 A 113 113 GLN N N 113 118.200 117.623 0.577 1
1 1320 . 1 1 1 A 114 114 TYR H H 114 7.600 8.239 -0.639 1
1 1321 . 1 1 1 A 114 114 TYR HA H 114 3.800 4.109 -0.309 1
1 1328 . 1 1 1 A 114 114 TYR C C 114 177.100 178.055 -0.955 1
1 1329 . 1 1 1 A 114 114 TYR CA C 114 61.700 61.440 0.260 1
1 1330 . 1 1 1 A 114 114 TYR CB C 114 33.200 38.443 -5.243 1
1 1335 . 1 1 1 A 114 114 TYR N N 114 124.900 120.949 3.951 1
1 1336 . 1 1 1 A 115 115 GLU H H 115 8.610 8.491 0.119 1
1 1337 . 1 1 1 A 115 115 GLU HA H 115 4.160 4.353 -0.193 1
1 1342 . 1 1 1 A 115 115 GLU C C 115 178.800 179.406 -0.606 1
1 1343 . 1 1 1 A 115 115 GLU CA C 115 60.100 59.719 0.381 1
1 1344 . 1 1 1 A 115 115 GLU CB C 115 30.000 30.046 -0.046 1
1 1346 . 1 1 1 A 115 115 GLU N N 115 119.300 118.752 0.548 1
1 1347 . 1 1 1 A 116 116 ALA H H 116 7.390 8.033 -0.643 1
1 1348 . 1 1 1 A 116 116 ALA HA H 116 4.210 4.159 0.051 1
1 1352 . 1 1 1 A 116 116 ALA C C 116 179.700 179.433 0.267 1
1 1353 . 1 1 1 A 116 116 ALA CA C 116 54.600 54.936 -0.336 1
1 1354 . 1 1 1 A 116 116 ALA CB C 116 18.200 18.018 0.182 1
1 1355 . 1 1 1 A 116 116 ALA N N 116 118.200 122.347 -4.147 1
1 1356 . 1 1 1 A 117 117 TYR H H 117 7.780 8.118 -0.338 1
1 1357 . 1 1 1 A 117 117 TYR HA H 117 3.890 4.151 -0.261 1
1 1364 . 1 1 1 A 117 117 TYR C C 117 177.300 177.392 -0.092 1
1 1365 . 1 1 1 A 117 117 TYR CA C 117 61.100 61.640 -0.540 1
1 1366 . 1 1 1 A 117 117 TYR CB C 117 39.200 39.383 -0.183 1
1 1371 . 1 1 1 A 117 117 TYR N N 117 120.200 119.760 0.440 1
1 1372 . 1 1 1 A 118 118 PHE H H 118 7.960 8.284 -0.324 1
1 1379 . 1 1 1 A 118 118 PHE C C 118 174.900 176.275 -1.375 1
1 1380 . 1 1 1 A 118 118 PHE CA C 118 57.850 60.775 -2.925 1
1 1381 . 1 1 1 A 118 118 PHE CB C 118 39.100 39.159 -0.059 1
1 1386 . 1 1 1 A 118 118 PHE N N 118 113.100 120.433 -7.333 1
1 1387 . 1 1 1 A 119 119 LYS H H 119 7.670 7.593 0.077 1
1 1388 . 1 1 1 A 119 119 LYS HA H 119 4.210 3.847 0.363 1
1 1397 . 1 1 1 A 119 119 LYS CA C 119 57.300 56.467 0.833 1
1 1398 . 1 1 1 A 119 119 LYS CB C 119 31.200 33.170 -1.970 1
1 1402 . 1 1 1 A 119 119 LYS N N 119 120.200 119.263 0.937 1
1 1 . 2 1 1 A 2 2 PRO HA H 2 4.500 4.258 0.242 1
1 8 . 2 1 1 A 2 2 PRO C C 2 177.500 177.112 0.388 1
1 9 . 2 1 1 A 2 2 PRO CA C 2 63.500 63.503 -0.003 1
1 10 . 2 1 1 A 2 2 PRO CB C 2 32.200 32.615 -0.415 1
1 13 . 2 1 1 A 3 3 GLY H H 3 8.113 8.700 -0.587 1
1 14 . 2 1 1 A 3 3 GLY HA2 H 3 4.060 4.139 -0.079 1
1 15 . 2 1 1 A 3 3 GLY HA3 H 3 4.030 4.153 -0.123 1
1 16 . 2 1 1 A 3 3 GLY CA C 3 45.300 44.598 0.702 1
1 17 . 2 1 1 A 3 3 GLY N N 3 110.500 111.090 -0.590 1
1 18 . 2 1 1 A 4 4 SER H H 4 8.280 8.499 -0.219 1
1 19 . 2 1 1 A 4 4 SER HA H 4 4.520 4.092 0.428 1
1 22 . 2 1 1 A 4 4 SER C C 4 178.100 174.933 3.167 1
1 23 . 2 1 1 A 4 4 SER CA C 4 58.600 60.880 -2.280 1
1 24 . 2 1 1 A 4 4 SER CB C 4 63.800 62.669 1.131 1
1 25 . 2 1 1 A 4 4 SER N N 4 115.900 117.835 -1.935 1
1 26 . 2 1 1 A 5 5 MET H H 5 8.680 7.789 0.891 1
1 27 . 2 1 1 A 5 5 MET HA H 5 4.700 4.442 0.258 1
1 32 . 2 1 1 A 5 5 MET C C 5 174.800 175.214 -0.414 1
1 33 . 2 1 1 A 5 5 MET CA C 5 54.900 55.145 -0.245 1
1 34 . 2 1 1 A 5 5 MET CB C 5 32.500 32.267 0.233 1
1 36 . 2 1 1 A 5 5 MET N N 5 121.500 121.080 0.420 1
1 37 . 2 1 1 A 6 6 SER H H 6 8.220 8.666 -0.446 1
1 38 . 2 1 1 A 6 6 SER HA H 6 4.580 4.974 -0.394 1
1 41 . 2 1 1 A 6 6 SER C C 6 174.200 173.573 0.627 1
1 42 . 2 1 1 A 6 6 SER CA C 6 59.100 56.931 2.169 1
1 43 . 2 1 1 A 6 6 SER CB C 6 63.800 64.023 -0.223 1
1 44 . 2 1 1 A 6 6 SER N N 6 117.000 123.368 -6.368 1
1 45 . 2 1 1 A 7 7 VAL H H 7 8.750 7.886 0.864 1
1 46 . 2 1 1 A 7 7 VAL HA H 7 4.840 4.529 0.311 1
1 54 . 2 1 1 A 7 7 VAL C C 7 175.800 174.996 0.804 1
1 55 . 2 1 1 A 7 7 VAL CA C 7 61.800 59.943 1.857 1
1 56 . 2 1 1 A 7 7 VAL CB C 7 33.800 33.439 0.361 1
1 59 . 2 1 1 A 7 7 VAL N N 7 124.100 123.504 0.596 1
1 60 . 2 1 1 A 8 8 THR H H 8 8.880 8.527 0.353 1
1 61 . 2 1 1 A 8 8 THR HA H 8 5.360 4.969 0.391 1
1 66 . 2 1 1 A 8 8 THR C C 8 172.500 172.904 -0.404 1
1 67 . 2 1 1 A 8 8 THR CA C 8 61.700 61.573 0.127 1
1 68 . 2 1 1 A 8 8 THR CB C 8 70.600 70.325 0.275 1
1 70 . 2 1 1 A 8 8 THR N N 8 124.500 115.303 9.197 1
1 71 . 2 1 1 A 9 9 ILE H H 9 9.170 9.412 -0.242 1
1 72 . 2 1 1 A 9 9 ILE HA H 9 5.610 5.648 -0.038 1
1 82 . 2 1 1 A 9 9 ILE C C 9 172.500 173.130 -0.630 1
1 83 . 2 1 1 A 9 9 ILE CA C 9 58.300 58.576 -0.276 1
1 84 . 2 1 1 A 9 9 ILE CB C 9 42.400 41.584 0.816 1
1 88 . 2 1 1 A 9 9 ILE N N 9 123.900 128.347 -4.447 1
1 89 . 2 1 1 A 10 10 TYR H H 10 9.740 9.587 0.153 1
1 90 . 2 1 1 A 10 10 TYR HA H 10 5.410 5.945 -0.535 1
1 95 . 2 1 1 A 10 10 TYR C C 10 177.500 176.373 1.127 1
1 96 . 2 1 1 A 10 10 TYR CA C 10 56.500 55.519 0.981 1
1 97 . 2 1 1 A 10 10 TYR CB C 10 40.300 41.090 -0.790 1
1 100 . 2 1 1 A 10 10 TYR N N 10 125.300 128.212 -2.912 1
1 101 . 2 1 1 A 11 11 GLY H H 11 7.880 8.795 -0.915 1
1 102 . 2 1 1 A 11 11 GLY HA2 H 11 4.700 4.437 0.263 1
1 103 . 2 1 1 A 11 11 GLY HA3 H 11 4.700 4.503 0.197 1
1 104 . 2 1 1 A 11 11 GLY C C 11 170.000 172.763 -2.763 1
1 105 . 2 1 1 A 11 11 GLY CA C 11 46.700 45.833 0.867 1
1 106 . 2 1 1 A 11 11 GLY N N 11 108.600 110.070 -1.470 1
1 107 . 2 1 1 A 12 12 ILE H H 12 6.340 8.792 -2.452 1
1 108 . 2 1 1 A 12 12 ILE HA H 12 5.330 5.306 0.024 1
1 118 . 2 1 1 A 12 12 ILE C C 12 175.100 175.110 -0.010 1
1 119 . 2 1 1 A 12 12 ILE CA C 12 59.300 58.773 0.527 1
1 120 . 2 1 1 A 12 12 ILE CB C 12 41.000 42.307 -1.307 1
1 124 . 2 1 1 A 12 12 ILE N N 12 113.300 117.807 -4.507 1
1 125 . 2 1 1 A 13 13 LYS H H 13 9.450 8.733 0.717 1
1 126 . 2 1 1 A 13 13 LYS HA H 13 4.090 4.696 -0.606 1
1 129 . 2 1 1 A 13 13 LYS C C 13 177.800 175.954 1.846 1
1 130 . 2 1 1 A 13 13 LYS CA C 13 59.200 54.576 4.624 1
1 131 . 2 1 1 A 13 13 LYS CB C 13 33.600 34.505 -0.905 1
1 133 . 2 1 1 A 13 13 LYS N N 13 120.900 121.095 -0.195 1
1 134 . 2 1 1 A 14 14 ASN H H 14 8.700 9.082 -0.382 1
1 135 . 2 1 1 A 14 14 ASN HA H 14 4.690 4.370 0.320 1
1 140 . 2 1 1 A 14 14 ASN C C 14 173.100 174.075 -0.975 1
1 141 . 2 1 1 A 14 14 ASN CA C 14 52.700 54.506 -1.806 1
1 142 . 2 1 1 A 14 14 ASN CB C 14 36.300 38.069 -1.769 1
1 143 . 2 1 1 A 14 14 ASN N N 14 116.600 117.555 -0.955 1
1 145 . 2 1 1 A 15 15 CYS H H 15 7.440 7.637 -0.197 1
1 146 . 2 1 1 A 15 15 CYS HA H 15 4.510 4.781 -0.271 1
1 149 . 2 1 1 A 15 15 CYS CA C 15 59.100 56.540 2.560 1
1 150 . 2 1 1 A 15 15 CYS CB C 15 30.800 30.082 0.718 1
1 151 . 2 1 1 A 15 15 CYS N N 15 124.400 115.148 9.252 1
1 152 . 2 1 1 A 16 16 ASP HA H 16 4.460 4.783 -0.323 1
1 155 . 2 1 1 A 16 16 ASP C C 16 178.000 177.693 0.307 1
1 156 . 2 1 1 A 16 16 ASP CA C 16 57.500 54.463 3.037 1
1 157 . 2 1 1 A 16 16 ASP CB C 16 41.400 42.538 -1.138 1
1 158 . 2 1 1 A 17 17 THR H H 17 9.210 7.869 1.341 1
1 159 . 2 1 1 A 17 17 THR HA H 17 4.000 3.788 0.212 1
1 164 . 2 1 1 A 17 17 THR C C 17 176.000 176.734 -0.734 1
1 165 . 2 1 1 A 17 17 THR CA C 17 67.400 67.365 0.035 1
1 166 . 2 1 1 A 17 17 THR CB C 17 68.200 68.362 -0.162 1
1 168 . 2 1 1 A 17 17 THR N N 17 122.200 116.579 5.621 1
1 169 . 2 1 1 A 18 18 MET H H 18 8.940 8.248 0.692 1
1 170 . 2 1 1 A 18 18 MET HA H 18 3.990 3.961 0.029 1
1 176 . 2 1 1 A 18 18 MET C C 18 178.300 178.914 -0.614 1
1 177 . 2 1 1 A 18 18 MET CA C 18 56.000 58.799 -2.799 1
1 178 . 2 1 1 A 18 18 MET CB C 18 31.400 32.249 -0.849 1
1 181 . 2 1 1 A 18 18 MET N N 18 125.300 118.187 7.113 1
1 182 . 2 1 1 A 19 19 LYS H H 19 8.080 7.967 0.113 1
1 183 . 2 1 1 A 19 19 LYS HA H 19 3.800 3.919 -0.119 1
1 186 . 2 1 1 A 19 19 LYS CA C 19 60.000 59.618 0.382 1
1 187 . 2 1 1 A 19 19 LYS CB C 19 32.500 32.461 0.039 1
1 191 . 2 1 1 A 19 19 LYS N N 19 117.900 121.120 -3.220 1
1 192 . 2 1 1 A 20 20 LYS H H 20 7.510 7.656 -0.146 1
1 193 . 2 1 1 A 20 20 LYS HA H 20 3.790 4.082 -0.292 1
1 198 . 2 1 1 A 20 20 LYS C C 20 178.500 179.145 -0.645 1
1 199 . 2 1 1 A 20 20 LYS CA C 20 59.500 59.632 -0.132 1
1 200 . 2 1 1 A 20 20 LYS CB C 20 32.800 32.285 0.515 1
1 204 . 2 1 1 A 20 20 LYS N N 20 117.500 119.091 -1.591 1
1 205 . 2 1 1 A 21 21 ALA H H 21 7.730 8.262 -0.532 1
1 206 . 2 1 1 A 21 21 ALA HA H 21 2.540 4.037 -1.497 1
1 210 . 2 1 1 A 21 21 ALA C C 21 178.700 179.726 -1.026 1
1 211 . 2 1 1 A 21 21 ALA CA C 21 54.400 55.254 -0.854 1
1 212 . 2 1 1 A 21 21 ALA CB C 21 19.000 18.544 0.456 1
1 213 . 2 1 1 A 21 21 ALA N N 21 123.600 122.221 1.379 1
1 214 . 2 1 1 A 22 22 ARG H H 22 8.110 8.391 -0.281 1
1 215 . 2 1 1 A 22 22 ARG HA H 22 3.490 4.001 -0.511 1
1 222 . 2 1 1 A 22 22 ARG C C 22 178.200 178.561 -0.361 1
1 223 . 2 1 1 A 22 22 ARG CA C 22 60.500 59.325 1.175 1
1 224 . 2 1 1 A 22 22 ARG CB C 22 30.700 29.773 0.927 1
1 227 . 2 1 1 A 22 22 ARG N N 22 116.100 117.973 -1.873 1
1 228 . 2 1 1 A 23 23 ILE H H 23 7.860 8.072 -0.212 1
1 229 . 2 1 1 A 23 23 ILE HA H 23 3.710 3.752 -0.042 1
1 239 . 2 1 1 A 23 23 ILE C C 23 177.200 178.543 -1.343 1
1 240 . 2 1 1 A 23 23 ILE CA C 23 65.000 64.986 0.014 1
1 241 . 2 1 1 A 23 23 ILE CB C 23 38.000 37.421 0.579 1
1 245 . 2 1 1 A 23 23 ILE N N 23 119.400 118.804 0.596 1
1 246 . 2 1 1 A 24 24 TRP H H 24 7.880 8.159 -0.279 1
1 247 . 2 1 1 A 24 24 TRP HA H 24 4.270 4.401 -0.131 1
1 256 . 2 1 1 A 24 24 TRP C C 24 176.100 178.486 -2.386 1
1 257 . 2 1 1 A 24 24 TRP CA C 24 63.100 61.066 2.034 1
1 258 . 2 1 1 A 24 24 TRP CB C 24 30.200 29.719 0.481 1
1 264 . 2 1 1 A 24 24 TRP N N 24 121.000 122.322 -1.322 1
1 266 . 2 1 1 A 25 25 LEU H H 25 8.690 8.932 -0.242 1
1 267 . 2 1 1 A 25 25 LEU HA H 25 4.000 4.074 -0.074 1
1 277 . 2 1 1 A 25 25 LEU C C 25 178.600 179.391 -0.791 1
1 278 . 2 1 1 A 25 25 LEU CA C 25 59.700 58.111 1.589 1
1 279 . 2 1 1 A 25 25 LEU CB C 25 41.200 41.504 -0.304 1
1 283 . 2 1 1 A 25 25 LEU N N 25 121.800 119.619 2.181 1
1 284 . 2 1 1 A 26 26 GLU H H 26 8.580 8.663 -0.083 1
1 285 . 2 1 1 A 26 26 GLU HA H 26 4.200 4.042 0.158 1
1 290 . 2 1 1 A 26 26 GLU C C 26 181.200 178.568 2.632 1
1 291 . 2 1 1 A 26 26 GLU CA C 26 59.500 59.454 0.046 1
1 292 . 2 1 1 A 26 26 GLU CB C 26 28.800 29.070 -0.270 1
1 294 . 2 1 1 A 26 26 GLU N N 26 120.600 118.004 2.596 1
1 295 . 2 1 1 A 27 27 ASP H H 27 9.360 8.140 1.220 1
1 296 . 2 1 1 A 27 27 ASP HA H 27 4.270 4.280 -0.010 1
1 299 . 2 1 1 A 27 27 ASP C C 27 177.400 178.762 -1.362 1
1 300 . 2 1 1 A 27 27 ASP CA C 27 56.400 57.094 -0.694 1
1 301 . 2 1 1 A 27 27 ASP CB C 27 40.000 40.705 -0.705 1
1 302 . 2 1 1 A 27 27 ASP N N 27 121.800 120.515 1.285 1
1 303 . 2 1 1 A 28 28 HIS H H 28 7.340 7.931 -0.591 1
1 304 . 2 1 1 A 28 28 HIS HA H 28 4.250 4.371 -0.121 1
1 309 . 2 1 1 A 28 28 HIS C C 28 173.600 175.403 -1.803 1
1 310 . 2 1 1 A 28 28 HIS CA C 28 56.700 58.047 -1.347 1
1 311 . 2 1 1 A 28 28 HIS CB C 28 27.500 30.358 -2.858 1
1 314 . 2 1 1 A 28 28 HIS N N 28 113.400 119.333 -5.933 1
1 315 . 2 1 1 A 29 29 GLY H H 29 7.790 7.929 -0.139 1
1 316 . 2 1 1 A 29 29 GLY HA2 H 29 3.870 3.882 -0.012 1
1 317 . 2 1 1 A 29 29 GLY HA3 H 29 3.870 3.907 -0.037 1
1 318 . 2 1 1 A 29 29 GLY C C 29 174.200 174.618 -0.418 1
1 319 . 2 1 1 A 29 29 GLY CA C 29 46.900 46.688 0.212 1
1 320 . 2 1 1 A 29 29 GLY N N 29 109.400 107.414 1.986 1
1 321 . 2 1 1 A 30 30 ILE H H 30 8.120 7.906 0.214 1
1 322 . 2 1 1 A 30 30 ILE HA H 30 4.040 4.600 -0.560 1
1 332 . 2 1 1 A 30 30 ILE C C 30 175.500 174.893 0.607 1
1 333 . 2 1 1 A 30 30 ILE CA C 30 60.000 60.165 -0.165 1
1 334 . 2 1 1 A 30 30 ILE CB C 30 38.100 39.763 -1.663 1
1 338 . 2 1 1 A 30 30 ILE N N 30 121.800 120.419 1.381 1
1 339 . 2 1 1 A 31 31 ASP H H 31 8.430 8.868 -0.438 1
1 340 . 2 1 1 A 31 31 ASP HA H 31 4.650 5.053 -0.403 1
1 343 . 2 1 1 A 31 31 ASP C C 31 175.800 175.020 0.780 1
1 344 . 2 1 1 A 31 31 ASP CA C 31 54.600 53.691 0.909 1
1 345 . 2 1 1 A 31 31 ASP CB C 31 41.600 41.655 -0.055 1
1 346 . 2 1 1 A 31 31 ASP N N 31 128.500 127.821 0.679 1
1 347 . 2 1 1 A 32 32 TYR H H 32 7.920 9.162 -1.242 1
1 348 . 2 1 1 A 32 32 TYR HA H 32 5.500 4.941 0.559 1
1 355 . 2 1 1 A 32 32 TYR C C 32 173.800 174.893 -1.093 1
1 356 . 2 1 1 A 32 32 TYR CA C 32 56.100 56.943 -0.843 1
1 357 . 2 1 1 A 32 32 TYR CB C 32 41.700 41.957 -0.257 1
1 362 . 2 1 1 A 32 32 TYR N N 32 117.500 125.642 -8.142 1
1 363 . 2 1 1 A 33 33 THR H H 33 8.900 8.808 0.092 1
1 364 . 2 1 1 A 33 33 THR HA H 33 4.470 4.668 -0.198 1
1 369 . 2 1 1 A 33 33 THR C C 33 172.900 173.801 -0.901 1
1 370 . 2 1 1 A 33 33 THR CA C 33 61.800 62.192 -0.392 1
1 371 . 2 1 1 A 33 33 THR CB C 33 70.800 69.282 1.518 1
1 373 . 2 1 1 A 33 33 THR N N 33 117.100 119.394 -2.294 1
1 374 . 2 1 1 A 34 34 PHE H H 34 9.280 9.053 0.227 1
1 375 . 2 1 1 A 34 34 PHE HA H 34 5.520 4.742 0.778 1
1 383 . 2 1 1 A 34 34 PHE CA C 34 53.900 58.191 -4.291 1
1 384 . 2 1 1 A 34 34 PHE CB C 34 39.900 39.599 0.301 1
1 390 . 2 1 1 A 34 34 PHE N N 34 128.200 127.917 0.283 1
1 391 . 2 1 1 A 35 35 HIS H H 35 9.210 9.015 0.195 1
1 392 . 2 1 1 A 35 35 HIS HA H 35 4.240 4.494 -0.254 1
1 397 . 2 1 1 A 35 35 HIS CA C 35 54.900 53.682 1.218 1
1 398 . 2 1 1 A 35 35 HIS CB C 35 30.700 31.672 -0.972 1
1 401 . 2 1 1 A 35 35 HIS N N 35 133.900 125.143 8.757 1
1 402 . 2 1 1 A 36 36 ASP H H 36 7.930 8.105 -0.175 1
1 403 . 2 1 1 A 36 36 ASP HA H 36 4.470 4.802 -0.332 1
1 406 . 2 1 1 A 36 36 ASP C C 36 178.500 176.669 1.831 1
1 407 . 2 1 1 A 36 36 ASP CA C 36 50.900 54.152 -3.252 1
1 408 . 2 1 1 A 36 36 ASP CB C 36 42.200 42.884 -0.684 1
1 409 . 2 1 1 A 36 36 ASP N N 36 127.000 123.837 3.163 1
1 410 . 2 1 1 A 37 37 TYR H H 37 9.290 9.189 0.101 1
1 417 . 2 1 1 A 37 37 TYR C C 37 178.700 177.474 1.226 1
1 418 . 2 1 1 A 37 37 TYR CA C 37 58.700 61.016 -2.316 1
1 419 . 2 1 1 A 37 37 TYR CB C 37 39.100 37.916 1.184 1
1 424 . 2 1 1 A 37 37 TYR N N 37 126.400 124.795 1.605 1
1 425 . 2 1 1 A 38 38 LYS H H 38 8.880 7.160 1.720 1
1 426 . 2 1 1 A 38 38 LYS HA H 38 4.300 3.829 0.471 1
1 429 . 2 1 1 A 38 38 LYS CA C 38 57.700 58.627 -0.927 1
1 430 . 2 1 1 A 38 38 LYS CB C 38 31.600 32.306 -0.706 1
1 434 . 2 1 1 A 38 38 LYS N N 38 115.800 122.277 -6.477 1
1 435 . 2 1 1 A 39 39 LYS H H 39 7.330 7.846 -0.516 1
1 436 . 2 1 1 A 39 39 LYS HA H 39 4.420 3.830 0.590 1
1 443 . 2 1 1 A 39 39 LYS CA C 39 57.500 58.708 -1.208 1
1 444 . 2 1 1 A 39 39 LYS CB C 39 34.600 31.871 2.729 1
1 448 . 2 1 1 A 39 39 LYS N N 39 118.800 118.882 -0.082 1
1 449 . 2 1 1 A 40 40 GLU H H 40 8.570 7.825 0.745 1
1 450 . 2 1 1 A 40 40 GLU HA H 40 4.280 4.160 0.120 1
1 455 . 2 1 1 A 40 40 GLU CA C 40 57.900 57.357 0.543 1
1 456 . 2 1 1 A 40 40 GLU CB C 40 29.300 30.801 -1.501 1
1 458 . 2 1 1 A 40 40 GLU N N 40 117.600 117.233 0.367 1
1 459 . 2 1 1 A 41 41 GLY H H 41 7.470 7.769 -0.299 1
1 460 . 2 1 1 A 41 41 GLY HA2 H 41 4.310 3.973 0.337 1
1 461 . 2 1 1 A 41 41 GLY HA3 H 41 4.170 3.982 0.188 1
1 462 . 2 1 1 A 41 41 GLY CA C 41 44.900 44.823 0.077 1
1 463 . 2 1 1 A 41 41 GLY N N 41 106.300 107.294 -0.994 1
1 464 . 2 1 1 A 42 42 LEU H H 42 8.290 8.317 -0.027 1
1 465 . 2 1 1 A 42 42 LEU HA H 42 4.950 5.096 -0.146 1
1 475 . 2 1 1 A 42 42 LEU C C 42 173.800 174.244 -0.444 1
1 476 . 2 1 1 A 42 42 LEU CA C 42 54.500 54.439 0.061 1
1 477 . 2 1 1 A 42 42 LEU CB C 42 43.400 45.742 -2.342 1
1 481 . 2 1 1 A 42 42 LEU N N 42 121.000 120.869 0.131 1
1 482 . 2 1 1 A 43 43 ASP H H 43 8.520 8.972 -0.452 1
1 483 . 2 1 1 A 43 43 ASP HA H 43 4.800 4.991 -0.191 1
1 486 . 2 1 1 A 43 43 ASP C C 43 175.400 177.126 -1.726 1
1 487 . 2 1 1 A 43 43 ASP CA C 43 51.600 52.779 -1.179 1
1 488 . 2 1 1 A 43 43 ASP CB C 43 42.200 43.025 -0.825 1
1 489 . 2 1 1 A 43 43 ASP N N 43 124.800 125.670 -0.870 1
1 490 . 2 1 1 A 44 44 ALA H H 44 8.640 8.850 -0.210 1
1 491 . 2 1 1 A 44 44 ALA HA H 44 3.780 4.062 -0.282 1
1 495 . 2 1 1 A 44 44 ALA C C 44 178.100 179.772 -1.672 1
1 496 . 2 1 1 A 44 44 ALA CA C 44 55.400 55.745 -0.345 1
1 497 . 2 1 1 A 44 44 ALA CB C 44 18.100 18.133 -0.033 1
1 498 . 2 1 1 A 44 44 ALA N N 44 122.400 123.809 -1.409 1
1 499 . 2 1 1 A 45 45 GLU H H 45 8.240 8.343 -0.103 1
1 500 . 2 1 1 A 45 45 GLU HA H 45 3.920 4.033 -0.113 1
1 505 . 2 1 1 A 45 45 GLU C C 45 179.300 179.082 0.218 1
1 506 . 2 1 1 A 45 45 GLU CA C 45 59.800 59.861 -0.061 1
1 507 . 2 1 1 A 45 45 GLU CB C 45 29.200 29.286 -0.086 1
1 509 . 2 1 1 A 45 45 GLU N N 45 115.600 118.391 -2.791 1
1 510 . 2 1 1 A 46 46 THR H H 46 7.910 8.040 -0.130 1
1 511 . 2 1 1 A 46 46 THR HA H 46 3.500 3.865 -0.365 1
1 516 . 2 1 1 A 46 46 THR C C 46 174.300 176.354 -2.054 1
1 517 . 2 1 1 A 46 46 THR CA C 46 66.600 67.312 -0.712 1
1 518 . 2 1 1 A 46 46 THR CB C 46 67.700 68.674 -0.974 1
1 520 . 2 1 1 A 46 46 THR N N 46 117.700 116.765 0.935 1
1 521 . 2 1 1 A 47 47 LEU H H 47 7.710 8.304 -0.594 1
1 522 . 2 1 1 A 47 47 LEU HA H 47 3.510 4.130 -0.620 1
1 532 . 2 1 1 A 47 47 LEU C C 47 178.000 178.071 -0.071 1
1 533 . 2 1 1 A 47 47 LEU CA C 47 57.900 58.569 -0.669 1
1 534 . 2 1 1 A 47 47 LEU CB C 47 41.500 41.817 -0.317 1
1 538 . 2 1 1 A 47 47 LEU N N 47 120.400 121.436 -1.036 1
1 539 . 2 1 1 A 48 48 ASP H H 48 9.000 8.596 0.404 1
1 540 . 2 1 1 A 48 48 ASP HA H 48 4.490 4.299 0.191 1
1 543 . 2 1 1 A 48 48 ASP C C 48 179.100 178.403 0.697 1
1 544 . 2 1 1 A 48 48 ASP CA C 48 57.500 57.774 -0.274 1
1 545 . 2 1 1 A 48 48 ASP CB C 48 39.100 42.019 -2.919 1
1 546 . 2 1 1 A 48 48 ASP N N 48 116.800 118.538 -1.738 1
1 547 . 2 1 1 A 49 49 ARG H H 49 7.560 8.100 -0.540 1
1 548 . 2 1 1 A 49 49 ARG HA H 49 4.110 3.802 0.308 1
1 555 . 2 1 1 A 49 49 ARG C C 49 180.100 178.998 1.102 1
1 556 . 2 1 1 A 49 49 ARG CA C 49 60.300 59.020 1.280 1
1 557 . 2 1 1 A 49 49 ARG CB C 49 29.600 29.434 0.166 1
1 560 . 2 1 1 A 49 49 ARG N N 49 122.100 119.501 2.599 1
1 561 . 2 1 1 A 50 50 PHE H H 50 8.300 8.044 0.256 1
1 562 . 2 1 1 A 50 50 PHE HA H 50 4.550 4.313 0.237 1
1 569 . 2 1 1 A 50 50 PHE C C 50 178.400 178.263 0.137 1
1 570 . 2 1 1 A 50 50 PHE CA C 50 57.500 61.085 -3.585 1
1 571 . 2 1 1 A 50 50 PHE CB C 50 36.900 39.016 -2.116 1
1 576 . 2 1 1 A 50 50 PHE N N 50 122.100 118.739 3.361 1
1 577 . 2 1 1 A 51 51 LEU H H 51 8.460 8.744 -0.284 1
1 587 . 2 1 1 A 51 51 LEU CA C 51 55.920 58.156 -2.236 1
1 588 . 2 1 1 A 51 51 LEU CB C 51 42.400 41.382 1.018 1
1 592 . 2 1 1 A 51 51 LEU N N 51 117.000 120.663 -3.663 1
1 593 . 2 1 1 A 52 52 LYS H H 52 7.660 7.959 -0.299 1
1 594 . 2 1 1 A 52 52 LYS HA H 52 4.180 4.173 0.007 1
1 603 . 2 1 1 A 52 52 LYS C C 52 178.300 178.066 0.234 1
1 604 . 2 1 1 A 52 52 LYS CA C 52 58.700 58.868 -0.168 1
1 605 . 2 1 1 A 52 52 LYS CB C 52 32.700 32.157 0.543 1
1 609 . 2 1 1 A 52 52 LYS N N 52 119.100 119.384 -0.284 1
1 610 . 2 1 1 A 53 53 THR H H 53 7.430 7.702 -0.272 1
1 611 . 2 1 1 A 53 53 THR HA H 53 4.570 4.392 0.178 1
1 616 . 2 1 1 A 53 53 THR C C 53 173.800 174.456 -0.656 1
1 617 . 2 1 1 A 53 53 THR CA C 53 62.600 63.902 -1.302 1
1 618 . 2 1 1 A 53 53 THR CB C 53 70.800 70.126 0.674 1
1 620 . 2 1 1 A 53 53 THR N N 53 107.400 110.793 -3.393 1
1 621 . 2 1 1 A 54 54 VAL H H 54 8.500 8.210 0.290 1
1 622 . 2 1 1 A 54 54 VAL HA H 54 4.540 4.589 -0.049 1
1 630 . 2 1 1 A 54 54 VAL C C 54 179.400 173.598 5.802 1
1 631 . 2 1 1 A 54 54 VAL CA C 54 59.100 58.923 0.177 1
1 632 . 2 1 1 A 54 54 VAL CB C 54 33.500 35.318 -1.818 1
1 635 . 2 1 1 A 54 54 VAL N N 54 125.200 119.232 5.968 1
1 636 . 2 1 1 A 55 55 PRO HA H 55 4.590 4.559 0.031 1
1 643 . 2 1 1 A 55 55 PRO C C 55 179.400 177.589 1.811 1
1 644 . 2 1 1 A 55 55 PRO CA C 55 62.100 62.604 -0.504 1
1 645 . 2 1 1 A 55 55 PRO CB C 55 32.900 32.550 0.350 1
1 648 . 2 1 1 A 56 56 TRP H H 56 8.690 8.720 -0.030 1
1 649 . 2 1 1 A 56 56 TRP HA H 56 3.990 4.329 -0.339 1
1 657 . 2 1 1 A 56 56 TRP C C 56 177.500 177.926 -0.426 1
1 658 . 2 1 1 A 56 56 TRP CA C 56 61.000 60.135 0.865 1
1 659 . 2 1 1 A 56 56 TRP CB C 56 27.400 28.741 -1.341 1
1 664 . 2 1 1 A 56 56 TRP N N 56 122.500 125.198 -2.698 1
1 666 . 2 1 1 A 57 57 GLU H H 57 8.410 7.980 0.430 1
1 667 . 2 1 1 A 57 57 GLU HA H 57 3.270 3.899 -0.629 1
1 672 . 2 1 1 A 57 57 GLU C C 57 178.000 176.980 1.020 1
1 673 . 2 1 1 A 57 57 GLU CA C 57 60.200 58.625 1.575 1
1 674 . 2 1 1 A 57 57 GLU CB C 57 28.200 28.517 -0.317 1
1 676 . 2 1 1 A 57 57 GLU N N 57 120.600 119.081 1.519 1
1 677 . 2 1 1 A 58 58 GLN H H 58 7.600 7.622 -0.022 1
1 678 . 2 1 1 A 58 58 GLN HA H 58 4.170 4.571 -0.401 1
1 683 . 2 1 1 A 58 58 GLN C C 58 175.500 176.187 -0.687 1
1 684 . 2 1 1 A 58 58 GLN CA C 58 56.000 54.593 1.407 1
1 685 . 2 1 1 A 58 58 GLN CB C 58 29.600 29.031 0.569 1
1 687 . 2 1 1 A 58 58 GLN N N 58 114.700 118.179 -3.479 1
1 688 . 2 1 1 A 59 59 LEU H H 59 7.440 7.984 -0.544 1
1 689 . 2 1 1 A 59 59 LEU HA H 59 4.220 4.544 -0.324 1
1 699 . 2 1 1 A 59 59 LEU C C 59 175.100 176.176 -1.076 1
1 700 . 2 1 1 A 59 59 LEU CA C 59 55.600 55.032 0.568 1
1 701 . 2 1 1 A 59 59 LEU CB C 59 44.700 44.402 0.298 1
1 705 . 2 1 1 A 59 59 LEU N N 59 119.500 120.698 -1.198 1
1 706 . 2 1 1 A 60 60 LEU H H 60 8.120 7.148 0.972 1
1 707 . 2 1 1 A 60 60 LEU HA H 60 4.410 4.982 -0.572 1
1 717 . 2 1 1 A 60 60 LEU C C 60 176.100 175.900 0.200 1
1 718 . 2 1 1 A 60 60 LEU CA C 60 55.400 52.883 2.517 1
1 719 . 2 1 1 A 60 60 LEU CB C 60 42.900 45.643 -2.743 1
1 723 . 2 1 1 A 60 60 LEU N N 60 119.300 116.016 3.284 1
1 724 . 2 1 1 A 61 61 ASN H H 61 9.120 8.228 0.892 1
1 729 . 2 1 1 A 61 61 ASN C C 61 175.600 174.803 0.797 1
1 730 . 2 1 1 A 61 61 ASN CA C 61 51.300 53.794 -2.494 1
1 731 . 2 1 1 A 61 61 ASN CB C 61 36.800 38.945 -2.145 1
1 732 . 2 1 1 A 61 61 ASN N N 61 124.900 117.984 6.916 1
1 734 . 2 1 1 A 62 62 ARG H H 62 8.140 8.999 -0.859 1
1 735 . 2 1 1 A 62 62 ARG HA H 62 3.450 4.300 -0.850 1
1 742 . 2 1 1 A 62 62 ARG C C 62 175.200 177.204 -2.004 1
1 743 . 2 1 1 A 62 62 ARG CA C 62 57.600 56.649 0.951 1
1 744 . 2 1 1 A 62 62 ARG CB C 62 30.200 31.989 -1.789 1
1 747 . 2 1 1 A 62 62 ARG N N 62 125.500 121.668 3.832 1
1 748 . 2 1 1 A 63 63 ALA H H 63 7.610 7.563 0.047 1
1 749 . 2 1 1 A 63 63 ALA HA H 63 4.460 4.389 0.071 1
1 753 . 2 1 1 A 63 63 ALA C C 63 178.300 177.327 0.973 1
1 754 . 2 1 1 A 63 63 ALA CA C 63 51.800 51.401 0.399 1
1 755 . 2 1 1 A 63 63 ALA CB C 63 19.300 18.764 0.536 1
1 756 . 2 1 1 A 63 63 ALA N N 63 118.600 119.442 -0.842 1
1 757 . 2 1 1 A 64 64 GLY H H 64 7.150 8.453 -1.303 1
1 758 . 2 1 1 A 64 64 GLY HA2 H 64 4.410 4.092 0.318 1
1 759 . 2 1 1 A 64 64 GLY HA3 H 64 4.020 4.097 -0.077 1
1 760 . 2 1 1 A 64 64 GLY C C 64 173.500 174.973 -1.473 1
1 761 . 2 1 1 A 64 64 GLY CA C 64 45.400 44.525 0.875 1
1 762 . 2 1 1 A 64 64 GLY N N 64 105.700 107.210 -1.510 1
1 763 . 2 1 1 A 65 65 THR H H 65 8.340 8.934 -0.594 1
1 764 . 2 1 1 A 65 65 THR HA H 65 3.880 4.014 -0.134 1
1 769 . 2 1 1 A 65 65 THR C C 65 176.300 176.247 0.053 1
1 770 . 2 1 1 A 65 65 THR CA C 65 65.500 65.693 -0.193 1
1 771 . 2 1 1 A 65 65 THR CB C 65 69.000 68.351 0.649 1
1 773 . 2 1 1 A 65 65 THR N N 65 113.400 114.346 -0.946 1
1 774 . 2 1 1 A 66 66 THR H H 66 7.940 8.069 -0.129 1
1 775 . 2 1 1 A 66 66 THR HA H 66 3.820 4.048 -0.228 1
1 780 . 2 1 1 A 66 66 THR C C 66 176.100 176.694 -0.594 1
1 781 . 2 1 1 A 66 66 THR CA C 66 67.000 65.861 1.139 1
1 782 . 2 1 1 A 66 66 THR CB C 66 68.000 68.156 -0.156 1
1 784 . 2 1 1 A 66 66 THR N N 66 116.200 114.150 2.050 1
1 785 . 2 1 1 A 67 67 PHE H H 67 8.720 7.701 1.019 1
1 786 . 2 1 1 A 67 67 PHE HA H 67 4.130 4.203 -0.073 1
1 793 . 2 1 1 A 67 67 PHE C C 67 176.900 177.765 -0.865 1
1 794 . 2 1 1 A 67 67 PHE CA C 67 61.500 60.728 0.772 1
1 795 . 2 1 1 A 67 67 PHE CB C 67 39.800 39.011 0.789 1
1 800 . 2 1 1 A 67 67 PHE N N 67 122.400 123.498 -1.098 1
1 801 . 2 1 1 A 68 68 ARG H H 68 7.750 8.120 -0.370 1
1 802 . 2 1 1 A 68 68 ARG HA H 68 3.790 4.218 -0.428 1
1 809 . 2 1 1 A 68 68 ARG C C 68 176.800 179.346 -2.546 1
1 810 . 2 1 1 A 68 68 ARG CA C 68 59.200 58.658 0.542 1
1 811 . 2 1 1 A 68 68 ARG CB C 68 30.200 30.173 0.027 1
1 814 . 2 1 1 A 68 68 ARG N N 68 114.400 118.255 -3.855 1
1 815 . 2 1 1 A 69 69 LYS H H 69 7.360 7.856 -0.496 1
1 816 . 2 1 1 A 69 69 LYS HA H 69 4.190 4.005 0.185 1
1 819 . 2 1 1 A 69 69 LYS C C 69 177.400 176.892 0.508 1
1 820 . 2 1 1 A 69 69 LYS CA C 69 56.700 58.646 -1.946 1
1 821 . 2 1 1 A 69 69 LYS CB C 69 33.000 32.318 0.682 1
1 825 . 2 1 1 A 69 69 LYS N N 69 115.600 119.418 -3.818 1
1 826 . 2 1 1 A 70 70 LEU H H 70 7.440 7.107 0.333 1
1 827 . 2 1 1 A 70 70 LEU HA H 70 4.350 4.375 -0.025 1
1 830 . 2 1 1 A 70 70 LEU CA C 70 53.800 52.546 1.254 1
1 831 . 2 1 1 A 70 70 LEU CB C 70 41.000 41.248 -0.248 1
1 832 . 2 1 1 A 70 70 LEU N N 70 121.400 120.964 0.436 1
1 833 . 2 1 1 A 71 71 PRO HA H 71 4.460 4.500 -0.040 1
1 840 . 2 1 1 A 71 71 PRO C C 71 177.500 176.652 0.848 1
1 841 . 2 1 1 A 71 71 PRO CA C 71 62.800 62.249 0.551 1
1 842 . 2 1 1 A 71 71 PRO CB C 71 32.600 33.302 -0.702 1
1 845 . 2 1 1 A 72 72 GLU H H 72 9.010 8.615 0.395 1
1 846 . 2 1 1 A 72 72 GLU HA H 72 3.650 3.982 -0.332 1
1 851 . 2 1 1 A 72 72 GLU C C 72 177.600 178.710 -1.110 1
1 852 . 2 1 1 A 72 72 GLU CA C 72 60.500 59.622 0.878 1
1 853 . 2 1 1 A 72 72 GLU CB C 72 29.900 29.201 0.699 1
1 855 . 2 1 1 A 72 72 GLU N N 72 124.100 120.628 3.472 1
1 856 . 2 1 1 A 73 73 ASP H H 73 8.860 8.030 0.830 1
1 857 . 2 1 1 A 73 73 ASP HA H 73 4.290 4.426 -0.136 1
1 860 . 2 1 1 A 73 73 ASP C C 73 177.600 178.713 -1.113 1
1 861 . 2 1 1 A 73 73 ASP CA C 73 56.700 57.168 -0.468 1
1 862 . 2 1 1 A 73 73 ASP CB C 73 39.300 40.837 -1.537 1
1 863 . 2 1 1 A 73 73 ASP N N 73 116.200 120.149 -3.949 1
1 864 . 2 1 1 A 74 74 VAL H H 74 7.120 7.983 -0.863 1
1 865 . 2 1 1 A 74 74 VAL HA H 74 3.740 3.542 0.198 1
1 873 . 2 1 1 A 74 74 VAL C C 74 178.200 177.934 0.266 1
1 874 . 2 1 1 A 74 74 VAL CA C 74 65.000 67.160 -2.160 1
1 875 . 2 1 1 A 74 74 VAL CB C 74 32.100 31.281 0.819 1
1 878 . 2 1 1 A 74 74 VAL N N 74 120.400 120.073 0.327 1
1 879 . 2 1 1 A 75 75 ARG H H 75 7.700 7.783 -0.083 1
1 880 . 2 1 1 A 75 75 ARG HA H 75 3.790 3.896 -0.106 1
1 887 . 2 1 1 A 75 75 ARG C C 75 178.500 177.163 1.337 1
1 888 . 2 1 1 A 75 75 ARG CA C 75 59.600 58.975 0.625 1
1 889 . 2 1 1 A 75 75 ARG CB C 75 31.100 29.909 1.191 1
1 892 . 2 1 1 A 75 75 ARG N N 75 115.900 119.799 -3.899 1
1 893 . 2 1 1 A 76 76 SER H H 76 8.260 7.585 0.675 1
1 894 . 2 1 1 A 76 76 SER HA H 76 4.380 4.556 -0.176 1
1 897 . 2 1 1 A 76 76 SER C C 76 174.700 175.606 -0.906 1
1 898 . 2 1 1 A 76 76 SER CA C 76 60.500 59.588 0.912 1
1 899 . 2 1 1 A 76 76 SER CB C 76 63.500 64.037 -0.537 1
1 900 . 2 1 1 A 76 76 SER N N 76 111.800 115.025 -3.225 1
1 901 . 2 1 1 A 77 77 ASN H H 77 7.380 7.952 -0.572 1
1 902 . 2 1 1 A 77 77 ASN HA H 77 5.010 4.929 0.081 1
1 907 . 2 1 1 A 77 77 ASN C C 77 174.300 174.178 0.122 1
1 908 . 2 1 1 A 77 77 ASN CA C 77 52.600 52.840 -0.240 1
1 909 . 2 1 1 A 77 77 ASN CB C 77 39.800 38.786 1.014 1
1 910 . 2 1 1 A 77 77 ASN N N 77 118.000 117.170 0.830 1
1 912 . 2 1 1 A 78 78 VAL H H 78 7.300 7.515 -0.215 1
1 913 . 2 1 1 A 78 78 VAL HA H 78 3.850 4.245 -0.395 1
1 921 . 2 1 1 A 78 78 VAL C C 78 173.200 174.971 -1.771 1
1 922 . 2 1 1 A 78 78 VAL CA C 78 63.600 61.982 1.618 1
1 923 . 2 1 1 A 78 78 VAL CB C 78 32.100 32.696 -0.596 1
1 926 . 2 1 1 A 78 78 VAL N N 78 121.200 120.585 0.615 1
1 927 . 2 1 1 A 79 79 ASP H H 79 7.660 8.425 -0.765 1
1 928 . 2 1 1 A 79 79 ASP HA H 79 4.380 4.895 -0.515 1
1 931 . 2 1 1 A 79 79 ASP C C 79 173.700 175.959 -2.259 1
1 932 . 2 1 1 A 79 79 ASP CA C 79 51.500 51.894 -0.394 1
1 933 . 2 1 1 A 79 79 ASP CB C 79 41.800 43.835 -2.035 1
1 934 . 2 1 1 A 79 79 ASP N N 79 127.000 127.282 -0.282 1
1 935 . 2 1 1 A 80 80 ALA H H 80 8.110 8.671 -0.561 1
1 936 . 2 1 1 A 80 80 ALA HA H 80 2.420 3.592 -1.172 1
1 940 . 2 1 1 A 80 80 ALA C C 80 178.700 179.698 -0.998 1
1 941 . 2 1 1 A 80 80 ALA CA C 80 55.600 55.211 0.389 1
1 942 . 2 1 1 A 80 80 ALA CB C 80 18.600 18.272 0.328 1
1 943 . 2 1 1 A 80 80 ALA N N 80 119.900 122.832 -2.932 1
1 944 . 2 1 1 A 81 81 ALA H H 81 7.760 8.136 -0.376 1
1 945 . 2 1 1 A 81 81 ALA HA H 81 4.030 3.974 0.056 1
1 949 . 2 1 1 A 81 81 ALA C C 81 180.700 179.703 0.997 1
1 950 . 2 1 1 A 81 81 ALA CA C 81 54.800 55.171 -0.371 1
1 951 . 2 1 1 A 81 81 ALA CB C 81 18.300 18.652 -0.352 1
1 952 . 2 1 1 A 81 81 ALA N N 81 118.500 120.295 -1.795 1
1 953 . 2 1 1 A 82 82 SER H H 82 8.480 8.100 0.380 1
1 954 . 2 1 1 A 82 82 SER HA H 82 4.240 4.027 0.213 1
1 957 . 2 1 1 A 82 82 SER C C 82 177.200 176.373 0.827 1
1 958 . 2 1 1 A 82 82 SER CA C 82 60.300 62.010 -1.710 1
1 959 . 2 1 1 A 82 82 SER CB C 82 62.700 62.819 -0.119 1
1 960 . 2 1 1 A 82 82 SER N N 82 115.300 113.349 1.951 1
1 961 . 2 1 1 A 83 83 ALA H H 83 8.970 8.041 0.929 1
1 962 . 2 1 1 A 83 83 ALA HA H 83 3.820 3.881 -0.061 1
1 966 . 2 1 1 A 83 83 ALA C C 83 178.600 179.963 -1.363 1
1 967 . 2 1 1 A 83 83 ALA CA C 83 55.600 55.144 0.456 1
1 968 . 2 1 1 A 83 83 ALA CB C 83 19.400 17.986 1.414 1
1 969 . 2 1 1 A 83 83 ALA N N 83 124.700 123.131 1.569 1
1 970 . 2 1 1 A 84 84 ARG H H 84 7.250 8.370 -1.120 1
1 971 . 2 1 1 A 84 84 ARG HA H 84 3.740 4.097 -0.357 1
1 978 . 2 1 1 A 84 84 ARG C C 84 176.600 179.064 -2.464 1
1 979 . 2 1 1 A 84 84 ARG CA C 84 60.100 59.840 0.260 1
1 980 . 2 1 1 A 84 84 ARG CB C 84 29.900 30.020 -0.120 1
1 983 . 2 1 1 A 84 84 ARG N N 84 116.500 117.573 -1.073 1
1 984 . 2 1 1 A 85 85 GLU H H 85 7.240 8.141 -0.901 1
1 985 . 2 1 1 A 85 85 GLU HA H 85 3.890 4.041 -0.151 1
1 990 . 2 1 1 A 85 85 GLU C C 85 179.800 179.361 0.439 1
1 991 . 2 1 1 A 85 85 GLU CA C 85 59.200 58.768 0.432 1
1 992 . 2 1 1 A 85 85 GLU CB C 85 29.300 29.571 -0.271 1
1 994 . 2 1 1 A 85 85 GLU N N 85 115.600 120.122 -4.522 1
1 995 . 2 1 1 A 86 86 LEU H H 86 8.620 8.347 0.273 1
1 996 . 2 1 1 A 86 86 LEU HA H 86 4.030 3.971 0.059 1
1 1006 . 2 1 1 A 86 86 LEU C C 86 178.600 178.860 -0.260 1
1 1007 . 2 1 1 A 86 86 LEU CA C 86 58.100 57.757 0.343 1
1 1008 . 2 1 1 A 86 86 LEU CB C 86 42.200 41.620 0.580 1
1 1012 . 2 1 1 A 86 86 LEU N N 86 120.800 121.199 -0.399 1
1 1013 . 2 1 1 A 87 87 MET H H 87 7.840 8.163 -0.323 1
1 1014 . 2 1 1 A 87 87 MET HA H 87 3.680 4.403 -0.723 1
1 1022 . 2 1 1 A 87 87 MET C C 87 175.600 178.294 -2.694 1
1 1023 . 2 1 1 A 87 87 MET CA C 87 60.000 58.825 1.175 1
1 1024 . 2 1 1 A 87 87 MET CB C 87 34.300 31.796 2.504 1
1 1027 . 2 1 1 A 87 87 MET N N 87 116.700 116.195 0.505 1
1 1028 . 2 1 1 A 88 88 LEU H H 88 7.490 8.335 -0.845 1
1 1029 . 2 1 1 A 88 88 LEU HA H 88 3.890 4.055 -0.165 1
1 1039 . 2 1 1 A 88 88 LEU C C 88 179.200 178.264 0.936 1
1 1040 . 2 1 1 A 88 88 LEU CA C 88 57.000 58.450 -1.450 1
1 1041 . 2 1 1 A 88 88 LEU CB C 88 41.800 41.892 -0.092 1
1 1045 . 2 1 1 A 88 88 LEU N N 88 113.400 121.955 -8.555 1
1 1046 . 2 1 1 A 89 89 ALA H H 89 7.690 7.847 -0.157 1
1 1047 . 2 1 1 A 89 89 ALA HA H 89 4.210 4.232 -0.022 1
1 1051 . 2 1 1 A 89 89 ALA C C 89 179.100 177.585 1.515 1
1 1052 . 2 1 1 A 89 89 ALA CA C 89 54.100 53.657 0.443 1
1 1053 . 2 1 1 A 89 89 ALA CB C 89 19.200 19.117 0.083 1
1 1054 . 2 1 1 A 89 89 ALA N N 89 119.100 120.251 -1.151 1
1 1055 . 2 1 1 A 90 90 GLN H H 90 8.100 7.740 0.360 1
1 1062 . 2 1 1 A 90 90 GLN CA C 90 53.400 53.481 -0.081 1
1 1063 . 2 1 1 A 90 90 GLN CB C 90 30.900 29.313 1.587 1
1 1064 . 2 1 1 A 90 90 GLN N N 90 115.100 116.657 -1.557 1
1 1066 . 2 1 1 A 91 91 PRO HA H 91 4.530 4.446 0.084 1
1 1073 . 2 1 1 A 91 91 PRO C C 91 178.300 177.439 0.861 1
1 1074 . 2 1 1 A 91 91 PRO CA C 91 64.300 64.192 0.108 1
1 1075 . 2 1 1 A 91 91 PRO CB C 91 31.800 31.979 -0.179 1
1 1078 . 2 1 1 A 92 92 SER H H 92 8.510 8.291 0.219 1
1 1079 . 2 1 1 A 92 92 SER HA H 92 4.310 3.645 0.665 1
1 1082 . 2 1 1 A 92 92 SER C C 92 174.200 176.032 -1.832 1
1 1083 . 2 1 1 A 92 92 SER CA C 92 62.000 60.681 1.319 1
1 1084 . 2 1 1 A 92 92 SER CB C 92 62.500 62.089 0.411 1
1 1085 . 2 1 1 A 92 92 SER N N 92 115.000 114.002 0.998 1
1 1086 . 2 1 1 A 93 93 MET H H 93 8.790 7.449 1.341 1
1 1087 . 2 1 1 A 93 93 MET HA H 93 4.560 4.458 0.102 1
1 1092 . 2 1 1 A 93 93 MET C C 93 174.900 176.423 -1.523 1
1 1093 . 2 1 1 A 93 93 MET CA C 93 56.900 56.688 0.212 1
1 1094 . 2 1 1 A 93 93 MET CB C 93 35.000 33.132 1.868 1
1 1096 . 2 1 1 A 93 93 MET N N 93 118.400 118.441 -0.041 1
1 1097 . 2 1 1 A 94 94 VAL H H 94 7.540 7.669 -0.129 1
1 1098 . 2 1 1 A 94 94 VAL HA H 94 4.080 3.941 0.139 1
1 1106 . 2 1 1 A 94 94 VAL C C 94 178.000 176.454 1.546 1
1 1107 . 2 1 1 A 94 94 VAL CA C 94 63.100 63.060 0.040 1
1 1108 . 2 1 1 A 94 94 VAL CB C 94 31.700 31.743 -0.043 1
1 1111 . 2 1 1 A 94 94 VAL N N 94 121.000 121.224 -0.224 1
1 1112 . 2 1 1 A 95 95 LYS H H 95 9.550 8.838 0.712 1
1 1113 . 2 1 1 A 95 95 LYS HA H 95 3.940 4.343 -0.403 1
1 1116 . 2 1 1 A 95 95 LYS CA C 95 58.800 57.219 1.581 1
1 1117 . 2 1 1 A 95 95 LYS CB C 95 33.500 33.165 0.335 1
1 1121 . 2 1 1 A 95 95 LYS N N 95 131.200 125.321 5.879 1
1 1122 . 2 1 1 A 96 96 ARG H H 96 8.260 8.762 -0.502 1
1 1125 . 2 1 1 A 96 96 ARG CA C 96 52.700 54.576 -1.876 1
1 1126 . 2 1 1 A 96 96 ARG CB C 96 34.400 32.620 1.780 1
1 1127 . 2 1 1 A 96 96 ARG N N 96 117.100 119.105 -2.005 1
1 1134 . 2 1 1 A 97 97 PRO C C 97 176.600 175.548 1.052 1
1 1135 . 2 1 1 A 97 97 PRO CA C 97 62.400 62.466 -0.066 1
1 1136 . 2 1 1 A 97 97 PRO CB C 97 34.700 32.560 2.140 1
1 1139 . 2 1 1 A 98 98 VAL H H 98 7.540 8.640 -1.100 1
1 1140 . 2 1 1 A 98 98 VAL HA H 98 4.460 4.890 -0.430 1
1 1148 . 2 1 1 A 98 98 VAL C C 98 173.500 174.496 -0.996 1
1 1149 . 2 1 1 A 98 98 VAL CA C 98 64.000 60.537 3.463 1
1 1150 . 2 1 1 A 98 98 VAL CB C 98 33.600 34.807 -1.207 1
1 1153 . 2 1 1 A 98 98 VAL N N 98 117.800 120.984 -3.184 1
1 1154 . 2 1 1 A 99 99 LEU H H 99 9.030 9.442 -0.412 1
1 1155 . 2 1 1 A 99 99 LEU HA H 99 5.410 5.235 0.175 1
1 1165 . 2 1 1 A 99 99 LEU C C 99 173.800 175.031 -1.231 1
1 1166 . 2 1 1 A 99 99 LEU CA C 99 54.300 52.744 1.556 1
1 1167 . 2 1 1 A 99 99 LEU CB C 99 45.800 43.553 2.247 1
1 1171 . 2 1 1 A 99 99 LEU N N 99 131.400 127.101 4.299 1
1 1172 . 2 1 1 A 100 100 GLU H H 100 9.390 9.212 0.178 1
1 1173 . 2 1 1 A 100 100 GLU HA H 100 5.050 5.248 -0.198 1
1 1178 . 2 1 1 A 100 100 GLU C C 100 174.200 175.080 -0.880 1
1 1179 . 2 1 1 A 100 100 GLU CA C 100 55.300 54.827 0.473 1
1 1180 . 2 1 1 A 100 100 GLU CB C 100 35.600 32.251 3.349 1
1 1182 . 2 1 1 A 100 100 GLU N N 100 125.800 125.923 -0.123 1
1 1183 . 2 1 1 A 101 101 ARG H H 101 7.610 8.952 -1.342 1
1 1184 . 2 1 1 A 101 101 ARG C C 101 175.900 175.003 0.897 1
1 1185 . 2 1 1 A 101 101 ARG CA C 101 56.700 55.337 1.363 1
1 1186 . 2 1 1 A 101 101 ARG CB C 101 32.500 32.519 -0.019 1
1 1189 . 2 1 1 A 101 101 ARG N N 101 125.100 126.917 -1.817 1
1 1190 . 2 1 1 A 102 102 ASP H H 102 10.080 9.497 0.583 1
1 1191 . 2 1 1 A 102 102 ASP HA H 102 4.450 4.366 0.084 1
1 1194 . 2 1 1 A 102 102 ASP C C 102 175.700 176.190 -0.490 1
1 1195 . 2 1 1 A 102 102 ASP CA C 102 55.300 55.360 -0.060 1
1 1196 . 2 1 1 A 102 102 ASP CB C 102 40.500 39.397 1.103 1
1 1197 . 2 1 1 A 102 102 ASP N N 102 132.000 127.998 4.002 1
1 1198 . 2 1 1 A 103 103 GLY H H 103 8.870 8.251 0.619 1
1 1199 . 2 1 1 A 103 103 GLY HA2 H 103 4.120 3.932 0.188 1
1 1200 . 2 1 1 A 103 103 GLY HA3 H 103 3.830 3.953 -0.123 1
1 1201 . 2 1 1 A 103 103 GLY C C 103 174.000 174.460 -0.460 1
1 1202 . 2 1 1 A 103 103 GLY CA C 103 45.600 45.053 0.547 1
1 1203 . 2 1 1 A 103 103 GLY N N 103 102.900 104.950 -2.050 1
1 1204 . 2 1 1 A 104 104 LYS H H 104 8.130 7.575 0.555 1
1 1205 . 2 1 1 A 104 104 LYS HA H 104 4.650 4.306 0.344 1
1 1208 . 2 1 1 A 104 104 LYS C C 104 176.500 175.461 1.039 1
1 1209 . 2 1 1 A 104 104 LYS CA C 104 55.500 57.168 -1.668 1
1 1210 . 2 1 1 A 104 104 LYS CB C 104 32.600 33.628 -1.028 1
1 1214 . 2 1 1 A 104 104 LYS N N 104 122.400 121.260 1.140 1
1 1215 . 2 1 1 A 105 105 LEU H H 105 8.920 8.810 0.110 1
1 1216 . 2 1 1 A 105 105 LEU HA H 105 5.420 5.424 -0.004 1
1 1226 . 2 1 1 A 105 105 LEU C C 105 177.200 174.802 2.398 1
1 1227 . 2 1 1 A 105 105 LEU CA C 105 54.300 53.504 0.796 1
1 1228 . 2 1 1 A 105 105 LEU CB C 105 45.400 45.180 0.220 1
1 1232 . 2 1 1 A 105 105 LEU N N 105 129.200 127.095 2.105 1
1 1233 . 2 1 1 A 106 106 MET H H 106 8.860 9.011 -0.151 1
1 1234 . 2 1 1 A 106 106 MET HA H 106 4.580 5.053 -0.473 1
1 1239 . 2 1 1 A 106 106 MET C C 106 174.500 174.388 0.112 1
1 1240 . 2 1 1 A 106 106 MET CA C 106 55.300 54.368 0.932 1
1 1241 . 2 1 1 A 106 106 MET CB C 106 36.500 37.067 -0.567 1
1 1243 . 2 1 1 A 106 106 MET N N 106 121.500 125.086 -3.586 1
1 1244 . 2 1 1 A 107 107 VAL H H 107 9.180 8.535 0.645 1
1 1245 . 2 1 1 A 107 107 VAL HA H 107 4.690 4.534 0.156 1
1 1253 . 2 1 1 A 107 107 VAL C C 107 176.200 176.248 -0.048 1
1 1254 . 2 1 1 A 107 107 VAL CA C 107 61.400 61.263 0.137 1
1 1255 . 2 1 1 A 107 107 VAL CB C 107 33.400 33.047 0.353 1
1 1258 . 2 1 1 A 107 107 VAL N N 107 129.500 117.842 11.658 1
1 1259 . 2 1 1 A 108 108 GLY H H 108 8.730 8.427 0.303 1
1 1260 . 2 1 1 A 108 108 GLY HA2 H 108 4.430 3.834 0.596 1
1 1261 . 2 1 1 A 108 108 GLY HA3 H 108 3.850 3.840 0.010 1
1 1262 . 2 1 1 A 108 108 GLY CA C 108 43.800 44.880 -1.080 1
1 1263 . 2 1 1 A 108 108 GLY N N 108 113.600 109.991 3.609 1
1 1271 . 2 1 1 A 109 109 PHE C C 109 172.700 175.144 -2.444 1
1 1272 . 2 1 1 A 109 109 PHE CA C 109 58.900 56.472 2.428 1
1 1273 . 2 1 1 A 109 109 PHE CB C 109 42.100 43.124 -1.024 1
1 1279 . 2 1 1 A 110 110 LYS H H 110 6.510 8.527 -2.017 1
1 1282 . 2 1 1 A 110 110 LYS CA C 110 53.500 55.170 -1.670 1
1 1283 . 2 1 1 A 110 110 LYS CB C 110 34.800 32.077 2.723 1
1 1284 . 2 1 1 A 110 110 LYS N N 110 126.600 121.237 5.363 1
1 1285 . 2 1 1 A 111 111 PRO HA H 111 3.360 4.163 -0.803 1
1 1292 . 2 1 1 A 111 111 PRO C C 111 177.100 178.621 -1.521 1
1 1293 . 2 1 1 A 111 111 PRO CA C 111 66.600 65.753 0.847 1
1 1294 . 2 1 1 A 111 111 PRO CB C 111 31.700 31.809 -0.109 1
1 1297 . 2 1 1 A 112 112 ALA H H 112 8.450 8.335 0.115 1
1 1298 . 2 1 1 A 112 112 ALA HA H 112 4.140 4.105 0.035 1
1 1302 . 2 1 1 A 112 112 ALA C C 112 180.300 180.726 -0.426 1
1 1303 . 2 1 1 A 112 112 ALA CA C 112 54.900 55.420 -0.520 1
1 1304 . 2 1 1 A 112 112 ALA CB C 112 18.800 18.514 0.286 1
1 1305 . 2 1 1 A 112 112 ALA N N 112 116.200 118.648 -2.448 1
1 1306 . 2 1 1 A 113 113 GLN H H 113 6.880 7.842 -0.962 1
1 1307 . 2 1 1 A 113 113 GLN HA H 113 4.130 4.056 0.074 1
1 1314 . 2 1 1 A 113 113 GLN C C 113 178.400 178.196 0.204 1
1 1315 . 2 1 1 A 113 113 GLN CA C 113 60.100 59.077 1.023 1
1 1316 . 2 1 1 A 113 113 GLN CB C 113 29.100 28.648 0.452 1
1 1318 . 2 1 1 A 113 113 GLN N N 113 118.200 117.519 0.681 1
1 1320 . 2 1 1 A 114 114 TYR H H 114 7.600 8.230 -0.630 1
1 1321 . 2 1 1 A 114 114 TYR HA H 114 3.800 4.102 -0.302 1
1 1328 . 2 1 1 A 114 114 TYR C C 114 177.100 178.052 -0.952 1
1 1329 . 2 1 1 A 114 114 TYR CA C 114 61.700 61.407 0.293 1
1 1330 . 2 1 1 A 114 114 TYR CB C 114 33.200 38.395 -5.195 1
1 1335 . 2 1 1 A 114 114 TYR N N 114 124.900 121.056 3.844 1
1 1336 . 2 1 1 A 115 115 GLU H H 115 8.610 8.545 0.065 1
1 1337 . 2 1 1 A 115 115 GLU HA H 115 4.160 4.354 -0.194 1
1 1342 . 2 1 1 A 115 115 GLU C C 115 178.800 179.281 -0.481 1
1 1343 . 2 1 1 A 115 115 GLU CA C 115 60.100 59.765 0.335 1
1 1344 . 2 1 1 A 115 115 GLU CB C 115 30.000 30.064 -0.064 1
1 1346 . 2 1 1 A 115 115 GLU N N 115 119.300 118.676 0.624 1
1 1347 . 2 1 1 A 116 116 ALA H H 116 7.390 8.083 -0.693 1
1 1348 . 2 1 1 A 116 116 ALA HA H 116 4.210 4.184 0.026 1
1 1352 . 2 1 1 A 116 116 ALA C C 116 179.700 179.643 0.057 1
1 1353 . 2 1 1 A 116 116 ALA CA C 116 54.600 54.925 -0.325 1
1 1354 . 2 1 1 A 116 116 ALA CB C 116 18.200 18.237 -0.037 1
1 1355 . 2 1 1 A 116 116 ALA N N 116 118.200 122.440 -4.240 1
1 1356 . 2 1 1 A 117 117 TYR H H 117 7.780 8.041 -0.261 1
1 1357 . 2 1 1 A 117 117 TYR HA H 117 3.890 4.213 -0.323 1
1 1364 . 2 1 1 A 117 117 TYR C C 117 177.300 177.557 -0.257 1
1 1365 . 2 1 1 A 117 117 TYR CA C 117 61.100 61.232 -0.132 1
1 1366 . 2 1 1 A 117 117 TYR CB C 117 39.200 38.423 0.777 1
1 1371 . 2 1 1 A 117 117 TYR N N 117 120.200 120.063 0.137 1
1 1372 . 2 1 1 A 118 118 PHE H H 118 7.960 7.971 -0.011 1
1 1379 . 2 1 1 A 118 118 PHE C C 118 174.900 175.085 -0.185 1
1 1380 . 2 1 1 A 118 118 PHE CA C 118 57.850 57.684 0.166 1
1 1381 . 2 1 1 A 118 118 PHE CB C 118 39.100 38.917 0.183 1
1 1386 . 2 1 1 A 118 118 PHE N N 118 113.100 119.489 -6.389 1
1 1387 . 2 1 1 A 119 119 LYS H H 119 7.670 7.604 0.066 1
1 1388 . 2 1 1 A 119 119 LYS HA H 119 4.210 4.136 0.074 1
1 1397 . 2 1 1 A 119 119 LYS CA C 119 57.300 55.879 1.421 1
1 1398 . 2 1 1 A 119 119 LYS CB C 119 31.200 33.292 -2.092 1
1 1402 . 2 1 1 A 119 119 LYS N N 119 120.200 122.151 -1.951 1
1 1 . 3 1 1 A 2 2 PRO HA H 2 4.500 4.319 0.181 1
1 8 . 3 1 1 A 2 2 PRO C C 2 177.500 177.078 0.422 1
1 9 . 3 1 1 A 2 2 PRO CA C 2 63.500 63.380 0.120 1
1 10 . 3 1 1 A 2 2 PRO CB C 2 32.200 32.559 -0.359 1
1 13 . 3 1 1 A 3 3 GLY H H 3 8.113 8.833 -0.720 1
1 14 . 3 1 1 A 3 3 GLY HA2 H 3 4.060 3.936 0.124 1
1 15 . 3 1 1 A 3 3 GLY HA3 H 3 4.030 3.936 0.094 1
1 16 . 3 1 1 A 3 3 GLY CA C 3 45.300 45.686 -0.386 1
1 17 . 3 1 1 A 3 3 GLY N N 3 110.500 110.854 -0.354 1
1 18 . 3 1 1 A 4 4 SER H H 4 8.280 8.321 -0.041 1
1 19 . 3 1 1 A 4 4 SER HA H 4 4.520 4.175 0.345 1
1 22 . 3 1 1 A 4 4 SER C C 4 178.100 174.929 3.171 1
1 23 . 3 1 1 A 4 4 SER CA C 4 58.600 62.486 -3.886 1
1 24 . 3 1 1 A 4 4 SER CB C 4 63.800 63.181 0.619 1
1 25 . 3 1 1 A 4 4 SER N N 4 115.900 116.062 -0.162 1
1 26 . 3 1 1 A 5 5 MET H H 5 8.680 7.749 0.931 1
1 27 . 3 1 1 A 5 5 MET HA H 5 4.700 4.983 -0.283 1
1 32 . 3 1 1 A 5 5 MET C C 5 174.800 174.644 0.156 1
1 33 . 3 1 1 A 5 5 MET CA C 5 54.900 54.532 0.368 1
1 34 . 3 1 1 A 5 5 MET CB C 5 32.500 35.336 -2.836 1
1 36 . 3 1 1 A 5 5 MET N N 5 121.500 118.275 3.225 1
1 37 . 3 1 1 A 6 6 SER H H 6 8.220 8.918 -0.698 1
1 38 . 3 1 1 A 6 6 SER HA H 6 4.580 5.192 -0.612 1
1 41 . 3 1 1 A 6 6 SER C C 6 174.200 172.458 1.742 1
1 42 . 3 1 1 A 6 6 SER CA C 6 59.100 56.436 2.664 1
1 43 . 3 1 1 A 6 6 SER CB C 6 63.800 66.592 -2.792 1
1 44 . 3 1 1 A 6 6 SER N N 6 117.000 112.214 4.786 1
1 45 . 3 1 1 A 7 7 VAL H H 7 8.750 8.751 -0.001 1
1 46 . 3 1 1 A 7 7 VAL HA H 7 4.840 4.825 0.015 1
1 54 . 3 1 1 A 7 7 VAL C C 7 175.800 173.676 2.124 1
1 55 . 3 1 1 A 7 7 VAL CA C 7 61.800 59.734 2.066 1
1 56 . 3 1 1 A 7 7 VAL CB C 7 33.800 34.028 -0.228 1
1 59 . 3 1 1 A 7 7 VAL N N 7 124.100 120.271 3.829 1
1 60 . 3 1 1 A 8 8 THR H H 8 8.880 8.449 0.431 1
1 61 . 3 1 1 A 8 8 THR HA H 8 5.360 4.809 0.551 1
1 66 . 3 1 1 A 8 8 THR C C 8 172.500 172.344 0.156 1
1 67 . 3 1 1 A 8 8 THR CA C 8 61.700 61.163 0.537 1
1 68 . 3 1 1 A 8 8 THR CB C 8 70.600 70.734 -0.134 1
1 70 . 3 1 1 A 8 8 THR N N 8 124.500 123.925 0.575 1
1 71 . 3 1 1 A 9 9 ILE H H 9 9.170 9.241 -0.071 1
1 72 . 3 1 1 A 9 9 ILE HA H 9 5.610 5.248 0.362 1
1 82 . 3 1 1 A 9 9 ILE C C 9 172.500 172.770 -0.270 1
1 83 . 3 1 1 A 9 9 ILE CA C 9 58.300 58.301 -0.001 1
1 84 . 3 1 1 A 9 9 ILE CB C 9 42.400 41.419 0.981 1
1 88 . 3 1 1 A 9 9 ILE N N 9 123.900 127.906 -4.006 1
1 89 . 3 1 1 A 10 10 TYR H H 10 9.740 8.823 0.917 1
1 90 . 3 1 1 A 10 10 TYR HA H 10 5.410 5.787 -0.377 1
1 95 . 3 1 1 A 10 10 TYR C C 10 177.500 176.281 1.219 1
1 96 . 3 1 1 A 10 10 TYR CA C 10 56.500 55.380 1.120 1
1 97 . 3 1 1 A 10 10 TYR CB C 10 40.300 40.948 -0.648 1
1 100 . 3 1 1 A 10 10 TYR N N 10 125.300 128.203 -2.903 1
1 101 . 3 1 1 A 11 11 GLY H H 11 7.880 8.854 -0.974 1
1 102 . 3 1 1 A 11 11 GLY HA2 H 11 4.700 4.446 0.254 1
1 103 . 3 1 1 A 11 11 GLY HA3 H 11 4.700 4.542 0.158 1
1 104 . 3 1 1 A 11 11 GLY C C 11 170.000 172.687 -2.687 1
1 105 . 3 1 1 A 11 11 GLY CA C 11 46.700 45.752 0.948 1
1 106 . 3 1 1 A 11 11 GLY N N 11 108.600 110.172 -1.572 1
1 107 . 3 1 1 A 12 12 ILE H H 12 6.340 8.786 -2.446 1
1 108 . 3 1 1 A 12 12 ILE HA H 12 5.330 5.484 -0.154 1
1 118 . 3 1 1 A 12 12 ILE C C 12 175.100 175.427 -0.327 1
1 119 . 3 1 1 A 12 12 ILE CA C 12 59.300 58.783 0.517 1
1 120 . 3 1 1 A 12 12 ILE CB C 12 41.000 42.379 -1.379 1
1 124 . 3 1 1 A 12 12 ILE N N 12 113.300 117.740 -4.440 1
1 125 . 3 1 1 A 13 13 LYS H H 13 9.450 8.573 0.877 1
1 126 . 3 1 1 A 13 13 LYS HA H 13 4.090 4.662 -0.572 1
1 129 . 3 1 1 A 13 13 LYS C C 13 177.800 176.532 1.268 1
1 130 . 3 1 1 A 13 13 LYS CA C 13 59.200 55.426 3.774 1
1 131 . 3 1 1 A 13 13 LYS CB C 13 33.600 32.951 0.649 1
1 133 . 3 1 1 A 13 13 LYS N N 13 120.900 119.596 1.304 1
1 134 . 3 1 1 A 14 14 ASN H H 14 8.700 7.853 0.847 1
1 135 . 3 1 1 A 14 14 ASN HA H 14 4.690 4.945 -0.255 1
1 140 . 3 1 1 A 14 14 ASN C C 14 173.100 173.445 -0.345 1
1 141 . 3 1 1 A 14 14 ASN CA C 14 52.700 52.417 0.283 1
1 142 . 3 1 1 A 14 14 ASN CB C 14 36.300 39.227 -2.927 1
1 143 . 3 1 1 A 14 14 ASN N N 14 116.600 117.296 -0.696 1
1 145 . 3 1 1 A 15 15 CYS H H 15 7.440 7.744 -0.304 1
1 146 . 3 1 1 A 15 15 CYS HA H 15 4.510 4.752 -0.242 1
1 149 . 3 1 1 A 15 15 CYS CA C 15 59.100 58.021 1.079 1
1 150 . 3 1 1 A 15 15 CYS CB C 15 30.800 31.158 -0.358 1
1 151 . 3 1 1 A 15 15 CYS N N 15 124.400 120.443 3.957 1
1 152 . 3 1 1 A 16 16 ASP HA H 16 4.460 4.577 -0.117 1
1 155 . 3 1 1 A 16 16 ASP C C 16 178.000 177.956 0.044 1
1 156 . 3 1 1 A 16 16 ASP CA C 16 57.500 55.132 2.368 1
1 157 . 3 1 1 A 16 16 ASP CB C 16 41.400 41.730 -0.330 1
1 158 . 3 1 1 A 17 17 THR H H 17 9.210 7.888 1.322 1
1 159 . 3 1 1 A 17 17 THR HA H 17 4.000 3.875 0.125 1
1 164 . 3 1 1 A 17 17 THR C C 17 176.000 176.627 -0.627 1
1 165 . 3 1 1 A 17 17 THR CA C 17 67.400 67.031 0.369 1
1 166 . 3 1 1 A 17 17 THR CB C 17 68.200 68.603 -0.403 1
1 168 . 3 1 1 A 17 17 THR N N 17 122.200 116.548 5.652 1
1 169 . 3 1 1 A 18 18 MET H H 18 8.940 8.109 0.831 1
1 170 . 3 1 1 A 18 18 MET HA H 18 3.990 3.954 0.036 1
1 176 . 3 1 1 A 18 18 MET C C 18 178.300 178.618 -0.318 1
1 177 . 3 1 1 A 18 18 MET CA C 18 56.000 59.277 -3.277 1
1 178 . 3 1 1 A 18 18 MET CB C 18 31.400 32.782 -1.382 1
1 181 . 3 1 1 A 18 18 MET N N 18 125.300 118.243 7.057 1
1 182 . 3 1 1 A 19 19 LYS H H 19 8.080 7.961 0.119 1
1 183 . 3 1 1 A 19 19 LYS HA H 19 3.800 3.879 -0.079 1
1 186 . 3 1 1 A 19 19 LYS CA C 19 60.000 59.672 0.328 1
1 187 . 3 1 1 A 19 19 LYS CB C 19 32.500 32.526 -0.026 1
1 191 . 3 1 1 A 19 19 LYS N N 19 117.900 120.321 -2.421 1
1 192 . 3 1 1 A 20 20 LYS H H 20 7.510 7.625 -0.115 1
1 193 . 3 1 1 A 20 20 LYS HA H 20 3.790 4.087 -0.297 1
1 198 . 3 1 1 A 20 20 LYS C C 20 178.500 179.098 -0.598 1
1 199 . 3 1 1 A 20 20 LYS CA C 20 59.500 59.695 -0.195 1
1 200 . 3 1 1 A 20 20 LYS CB C 20 32.800 32.361 0.439 1
1 204 . 3 1 1 A 20 20 LYS N N 20 117.500 118.897 -1.397 1
1 205 . 3 1 1 A 21 21 ALA H H 21 7.730 8.321 -0.591 1
1 206 . 3 1 1 A 21 21 ALA HA H 21 2.540 4.088 -1.548 1
1 210 . 3 1 1 A 21 21 ALA C C 21 178.700 179.855 -1.155 1
1 211 . 3 1 1 A 21 21 ALA CA C 21 54.400 55.371 -0.971 1
1 212 . 3 1 1 A 21 21 ALA CB C 21 19.000 18.223 0.777 1
1 213 . 3 1 1 A 21 21 ALA N N 21 123.600 122.025 1.575 1
1 214 . 3 1 1 A 22 22 ARG H H 22 8.110 8.151 -0.041 1
1 215 . 3 1 1 A 22 22 ARG HA H 22 3.490 3.984 -0.494 1
1 222 . 3 1 1 A 22 22 ARG C C 22 178.200 178.540 -0.340 1
1 223 . 3 1 1 A 22 22 ARG CA C 22 60.500 59.340 1.160 1
1 224 . 3 1 1 A 22 22 ARG CB C 22 30.700 29.703 0.997 1
1 227 . 3 1 1 A 22 22 ARG N N 22 116.100 117.643 -1.543 1
1 228 . 3 1 1 A 23 23 ILE H H 23 7.860 8.096 -0.236 1
1 229 . 3 1 1 A 23 23 ILE HA H 23 3.710 3.755 -0.045 1
1 239 . 3 1 1 A 23 23 ILE C C 23 177.200 178.613 -1.413 1
1 240 . 3 1 1 A 23 23 ILE CA C 23 65.000 64.968 0.032 1
1 241 . 3 1 1 A 23 23 ILE CB C 23 38.000 37.516 0.484 1
1 245 . 3 1 1 A 23 23 ILE N N 23 119.400 119.193 0.207 1
1 246 . 3 1 1 A 24 24 TRP H H 24 7.880 8.158 -0.278 1
1 247 . 3 1 1 A 24 24 TRP HA H 24 4.270 4.397 -0.127 1
1 256 . 3 1 1 A 24 24 TRP C C 24 176.100 178.369 -2.269 1
1 257 . 3 1 1 A 24 24 TRP CA C 24 63.100 61.145 1.955 1
1 258 . 3 1 1 A 24 24 TRP CB C 24 30.200 30.018 0.182 1
1 264 . 3 1 1 A 24 24 TRP N N 24 121.000 122.319 -1.319 1
1 266 . 3 1 1 A 25 25 LEU H H 25 8.690 8.843 -0.153 1
1 267 . 3 1 1 A 25 25 LEU HA H 25 4.000 3.948 0.052 1
1 277 . 3 1 1 A 25 25 LEU C C 25 178.600 179.496 -0.896 1
1 278 . 3 1 1 A 25 25 LEU CA C 25 59.700 57.965 1.735 1
1 279 . 3 1 1 A 25 25 LEU CB C 25 41.200 41.301 -0.101 1
1 283 . 3 1 1 A 25 25 LEU N N 25 121.800 119.603 2.197 1
1 284 . 3 1 1 A 26 26 GLU H H 26 8.580 8.614 -0.034 1
1 285 . 3 1 1 A 26 26 GLU HA H 26 4.200 4.020 0.180 1
1 290 . 3 1 1 A 26 26 GLU C C 26 181.200 179.106 2.094 1
1 291 . 3 1 1 A 26 26 GLU CA C 26 59.500 59.765 -0.265 1
1 292 . 3 1 1 A 26 26 GLU CB C 26 28.800 29.306 -0.506 1
1 294 . 3 1 1 A 26 26 GLU N N 26 120.600 118.974 1.626 1
1 295 . 3 1 1 A 27 27 ASP H H 27 9.360 8.251 1.109 1
1 296 . 3 1 1 A 27 27 ASP HA H 27 4.270 4.274 -0.004 1
1 299 . 3 1 1 A 27 27 ASP C C 27 177.400 178.537 -1.137 1
1 300 . 3 1 1 A 27 27 ASP CA C 27 56.400 57.028 -0.628 1
1 301 . 3 1 1 A 27 27 ASP CB C 27 40.000 41.438 -1.438 1
1 302 . 3 1 1 A 27 27 ASP N N 27 121.800 120.418 1.382 1
1 303 . 3 1 1 A 28 28 HIS H H 28 7.340 7.943 -0.603 1
1 304 . 3 1 1 A 28 28 HIS HA H 28 4.250 4.271 -0.021 1
1 309 . 3 1 1 A 28 28 HIS C C 28 173.600 175.332 -1.732 1
1 310 . 3 1 1 A 28 28 HIS CA C 28 56.700 58.180 -1.480 1
1 311 . 3 1 1 A 28 28 HIS CB C 28 27.500 30.278 -2.778 1
1 314 . 3 1 1 A 28 28 HIS N N 28 113.400 119.122 -5.722 1
1 315 . 3 1 1 A 29 29 GLY H H 29 7.790 8.265 -0.475 1
1 316 . 3 1 1 A 29 29 GLY HA2 H 29 3.870 3.872 -0.002 1
1 317 . 3 1 1 A 29 29 GLY HA3 H 29 3.870 3.885 -0.015 1
1 318 . 3 1 1 A 29 29 GLY C C 29 174.200 174.606 -0.406 1
1 319 . 3 1 1 A 29 29 GLY CA C 29 46.900 46.594 0.306 1
1 320 . 3 1 1 A 29 29 GLY N N 29 109.400 107.397 2.003 1
1 321 . 3 1 1 A 30 30 ILE H H 30 8.120 7.800 0.320 1
1 322 . 3 1 1 A 30 30 ILE HA H 30 4.040 4.613 -0.573 1
1 332 . 3 1 1 A 30 30 ILE C C 30 175.500 174.702 0.798 1
1 333 . 3 1 1 A 30 30 ILE CA C 30 60.000 60.084 -0.084 1
1 334 . 3 1 1 A 30 30 ILE CB C 30 38.100 39.749 -1.649 1
1 338 . 3 1 1 A 30 30 ILE N N 30 121.800 120.132 1.668 1
1 339 . 3 1 1 A 31 31 ASP H H 31 8.430 8.795 -0.365 1
1 340 . 3 1 1 A 31 31 ASP HA H 31 4.650 5.190 -0.540 1
1 343 . 3 1 1 A 31 31 ASP C C 31 175.800 174.812 0.988 1
1 344 . 3 1 1 A 31 31 ASP CA C 31 54.600 53.871 0.729 1
1 345 . 3 1 1 A 31 31 ASP CB C 31 41.600 41.602 -0.002 1
1 346 . 3 1 1 A 31 31 ASP N N 31 128.500 126.589 1.911 1
1 347 . 3 1 1 A 32 32 TYR H H 32 7.920 9.069 -1.149 1
1 348 . 3 1 1 A 32 32 TYR HA H 32 5.500 5.214 0.286 1
1 355 . 3 1 1 A 32 32 TYR C C 32 173.800 175.387 -1.587 1
1 356 . 3 1 1 A 32 32 TYR CA C 32 56.100 56.082 0.018 1
1 357 . 3 1 1 A 32 32 TYR CB C 32 41.700 41.661 0.039 1
1 362 . 3 1 1 A 32 32 TYR N N 32 117.500 122.855 -5.355 1
1 363 . 3 1 1 A 33 33 THR H H 33 8.900 8.821 0.079 1
1 364 . 3 1 1 A 33 33 THR HA H 33 4.470 4.600 -0.130 1
1 369 . 3 1 1 A 33 33 THR C C 33 172.900 173.780 -0.880 1
1 370 . 3 1 1 A 33 33 THR CA C 33 61.800 62.440 -0.640 1
1 371 . 3 1 1 A 33 33 THR CB C 33 70.800 69.024 1.776 1
1 373 . 3 1 1 A 33 33 THR N N 33 117.100 119.543 -2.443 1
1 374 . 3 1 1 A 34 34 PHE H H 34 9.280 9.092 0.188 1
1 375 . 3 1 1 A 34 34 PHE HA H 34 5.520 4.781 0.739 1
1 383 . 3 1 1 A 34 34 PHE CA C 34 53.900 58.130 -4.230 1
1 384 . 3 1 1 A 34 34 PHE CB C 34 39.900 39.488 0.412 1
1 390 . 3 1 1 A 34 34 PHE N N 34 128.200 128.537 -0.337 1
1 391 . 3 1 1 A 35 35 HIS H H 35 9.210 9.071 0.139 1
1 392 . 3 1 1 A 35 35 HIS HA H 35 4.240 4.791 -0.551 1
1 397 . 3 1 1 A 35 35 HIS CA C 35 54.900 53.837 1.063 1
1 398 . 3 1 1 A 35 35 HIS CB C 35 30.700 32.850 -2.150 1
1 401 . 3 1 1 A 35 35 HIS N N 35 133.900 125.316 8.584 1
1 402 . 3 1 1 A 36 36 ASP H H 36 7.930 8.333 -0.403 1
1 403 . 3 1 1 A 36 36 ASP HA H 36 4.470 5.034 -0.564 1
1 406 . 3 1 1 A 36 36 ASP C C 36 178.500 176.857 1.643 1
1 407 . 3 1 1 A 36 36 ASP CA C 36 50.900 53.906 -3.006 1
1 408 . 3 1 1 A 36 36 ASP CB C 36 42.200 42.817 -0.617 1
1 409 . 3 1 1 A 36 36 ASP N N 36 127.000 124.412 2.588 1
1 410 . 3 1 1 A 37 37 TYR H H 37 9.290 9.287 0.003 1
1 417 . 3 1 1 A 37 37 TYR C C 37 178.700 177.441 1.259 1
1 418 . 3 1 1 A 37 37 TYR CA C 37 58.700 60.888 -2.188 1
1 419 . 3 1 1 A 37 37 TYR CB C 37 39.100 37.834 1.266 1
1 424 . 3 1 1 A 37 37 TYR N N 37 126.400 124.587 1.813 1
1 425 . 3 1 1 A 38 38 LYS H H 38 8.880 7.312 1.568 1
1 426 . 3 1 1 A 38 38 LYS HA H 38 4.300 3.714 0.586 1
1 429 . 3 1 1 A 38 38 LYS CA C 38 57.700 58.671 -0.971 1
1 430 . 3 1 1 A 38 38 LYS CB C 38 31.600 32.236 -0.636 1
1 434 . 3 1 1 A 38 38 LYS N N 38 115.800 122.299 -6.499 1
1 435 . 3 1 1 A 39 39 LYS H H 39 7.330 7.671 -0.341 1
1 436 . 3 1 1 A 39 39 LYS HA H 39 4.420 3.743 0.677 1
1 443 . 3 1 1 A 39 39 LYS CA C 39 57.500 59.996 -2.496 1
1 444 . 3 1 1 A 39 39 LYS CB C 39 34.600 32.109 2.491 1
1 448 . 3 1 1 A 39 39 LYS N N 39 118.800 118.118 0.682 1
1 449 . 3 1 1 A 40 40 GLU H H 40 8.570 7.986 0.584 1
1 450 . 3 1 1 A 40 40 GLU HA H 40 4.280 4.049 0.231 1
1 455 . 3 1 1 A 40 40 GLU CA C 40 57.900 57.996 -0.096 1
1 456 . 3 1 1 A 40 40 GLU CB C 40 29.300 30.212 -0.912 1
1 458 . 3 1 1 A 40 40 GLU N N 40 117.600 119.171 -1.571 1
1 459 . 3 1 1 A 41 41 GLY H H 41 7.470 7.824 -0.354 1
1 460 . 3 1 1 A 41 41 GLY HA2 H 41 4.310 3.808 0.502 1
1 461 . 3 1 1 A 41 41 GLY HA3 H 41 4.170 3.825 0.345 1
1 462 . 3 1 1 A 41 41 GLY CA C 41 44.900 46.408 -1.508 1
1 463 . 3 1 1 A 41 41 GLY N N 41 106.300 107.641 -1.341 1
1 464 . 3 1 1 A 42 42 LEU H H 42 8.290 8.285 0.005 1
1 465 . 3 1 1 A 42 42 LEU HA H 42 4.950 4.511 0.439 1
1 475 . 3 1 1 A 42 42 LEU C C 42 173.800 175.431 -1.631 1
1 476 . 3 1 1 A 42 42 LEU CA C 42 54.500 54.808 -0.308 1
1 477 . 3 1 1 A 42 42 LEU CB C 42 43.400 42.697 0.703 1
1 481 . 3 1 1 A 42 42 LEU N N 42 121.000 124.708 -3.708 1
1 482 . 3 1 1 A 43 43 ASP H H 43 8.520 8.119 0.401 1
1 483 . 3 1 1 A 43 43 ASP HA H 43 4.800 5.026 -0.226 1
1 486 . 3 1 1 A 43 43 ASP C C 43 175.400 176.784 -1.384 1
1 487 . 3 1 1 A 43 43 ASP CA C 43 51.600 51.578 0.022 1
1 488 . 3 1 1 A 43 43 ASP CB C 43 42.200 43.241 -1.041 1
1 489 . 3 1 1 A 43 43 ASP N N 43 124.800 125.579 -0.779 1
1 490 . 3 1 1 A 44 44 ALA H H 44 8.640 8.742 -0.102 1
1 491 . 3 1 1 A 44 44 ALA HA H 44 3.780 4.042 -0.262 1
1 495 . 3 1 1 A 44 44 ALA C C 44 178.100 179.665 -1.565 1
1 496 . 3 1 1 A 44 44 ALA CA C 44 55.400 55.610 -0.210 1
1 497 . 3 1 1 A 44 44 ALA CB C 44 18.100 18.169 -0.069 1
1 498 . 3 1 1 A 44 44 ALA N N 44 122.400 122.056 0.344 1
1 499 . 3 1 1 A 45 45 GLU H H 45 8.240 8.140 0.100 1
1 500 . 3 1 1 A 45 45 GLU HA H 45 3.920 4.005 -0.085 1
1 505 . 3 1 1 A 45 45 GLU C C 45 179.300 178.936 0.364 1
1 506 . 3 1 1 A 45 45 GLU CA C 45 59.800 59.847 -0.047 1
1 507 . 3 1 1 A 45 45 GLU CB C 45 29.200 29.429 -0.229 1
1 509 . 3 1 1 A 45 45 GLU N N 45 115.600 118.943 -3.343 1
1 510 . 3 1 1 A 46 46 THR H H 46 7.910 7.791 0.119 1
1 511 . 3 1 1 A 46 46 THR HA H 46 3.500 3.840 -0.340 1
1 516 . 3 1 1 A 46 46 THR C C 46 174.300 176.195 -1.895 1
1 517 . 3 1 1 A 46 46 THR CA C 46 66.600 67.289 -0.689 1
1 518 . 3 1 1 A 46 46 THR CB C 46 67.700 68.546 -0.846 1
1 520 . 3 1 1 A 46 46 THR N N 46 117.700 116.548 1.152 1
1 521 . 3 1 1 A 47 47 LEU H H 47 7.710 8.263 -0.553 1
1 522 . 3 1 1 A 47 47 LEU HA H 47 3.510 4.131 -0.621 1
1 532 . 3 1 1 A 47 47 LEU C C 47 178.000 178.162 -0.162 1
1 533 . 3 1 1 A 47 47 LEU CA C 47 57.900 58.435 -0.535 1
1 534 . 3 1 1 A 47 47 LEU CB C 47 41.500 41.403 0.097 1
1 538 . 3 1 1 A 47 47 LEU N N 47 120.400 121.284 -0.884 1
1 539 . 3 1 1 A 48 48 ASP H H 48 9.000 8.611 0.389 1
1 540 . 3 1 1 A 48 48 ASP HA H 48 4.490 4.254 0.236 1
1 543 . 3 1 1 A 48 48 ASP C C 48 179.100 178.733 0.367 1
1 544 . 3 1 1 A 48 48 ASP CA C 48 57.500 57.868 -0.368 1
1 545 . 3 1 1 A 48 48 ASP CB C 48 39.100 42.011 -2.911 1
1 546 . 3 1 1 A 48 48 ASP N N 48 116.800 118.414 -1.614 1
1 547 . 3 1 1 A 49 49 ARG H H 49 7.560 8.094 -0.534 1
1 548 . 3 1 1 A 49 49 ARG HA H 49 4.110 4.029 0.081 1
1 555 . 3 1 1 A 49 49 ARG C C 49 180.100 179.266 0.834 1
1 556 . 3 1 1 A 49 49 ARG CA C 49 60.300 59.427 0.873 1
1 557 . 3 1 1 A 49 49 ARG CB C 49 29.600 29.460 0.140 1
1 560 . 3 1 1 A 49 49 ARG N N 49 122.100 118.306 3.794 1
1 561 . 3 1 1 A 50 50 PHE H H 50 8.300 8.014 0.286 1
1 562 . 3 1 1 A 50 50 PHE HA H 50 4.550 4.393 0.157 1
1 569 . 3 1 1 A 50 50 PHE C C 50 178.400 178.322 0.078 1
1 570 . 3 1 1 A 50 50 PHE CA C 50 57.500 60.874 -3.374 1
1 571 . 3 1 1 A 50 50 PHE CB C 50 36.900 38.613 -1.713 1
1 576 . 3 1 1 A 50 50 PHE N N 50 122.100 119.386 2.714 1
1 577 . 3 1 1 A 51 51 LEU H H 51 8.460 8.422 0.038 1
1 587 . 3 1 1 A 51 51 LEU CA C 51 55.920 58.015 -2.095 1
1 588 . 3 1 1 A 51 51 LEU CB C 51 42.400 41.623 0.777 1
1 592 . 3 1 1 A 51 51 LEU N N 51 117.000 121.002 -4.002 1
1 593 . 3 1 1 A 52 52 LYS H H 52 7.660 8.005 -0.345 1
1 594 . 3 1 1 A 52 52 LYS HA H 52 4.180 4.021 0.159 1
1 603 . 3 1 1 A 52 52 LYS C C 52 178.300 179.374 -1.074 1
1 604 . 3 1 1 A 52 52 LYS CA C 52 58.700 59.429 -0.729 1
1 605 . 3 1 1 A 52 52 LYS CB C 52 32.700 32.324 0.376 1
1 609 . 3 1 1 A 52 52 LYS N N 52 119.100 119.376 -0.276 1
1 610 . 3 1 1 A 53 53 THR H H 53 7.430 7.524 -0.094 1
1 611 . 3 1 1 A 53 53 THR HA H 53 4.570 4.211 0.359 1
1 616 . 3 1 1 A 53 53 THR C C 53 173.800 174.690 -0.890 1
1 617 . 3 1 1 A 53 53 THR CA C 53 62.600 65.291 -2.691 1
1 618 . 3 1 1 A 53 53 THR CB C 53 70.800 69.716 1.084 1
1 620 . 3 1 1 A 53 53 THR N N 53 107.400 111.402 -4.002 1
1 621 . 3 1 1 A 54 54 VAL H H 54 8.500 7.939 0.561 1
1 622 . 3 1 1 A 54 54 VAL HA H 54 4.540 4.640 -0.100 1
1 630 . 3 1 1 A 54 54 VAL C C 54 179.400 173.472 5.928 1
1 631 . 3 1 1 A 54 54 VAL CA C 54 59.100 59.038 0.062 1
1 632 . 3 1 1 A 54 54 VAL CB C 54 33.500 35.501 -2.001 1
1 635 . 3 1 1 A 54 54 VAL N N 54 125.200 119.791 5.409 1
1 636 . 3 1 1 A 55 55 PRO HA H 55 4.590 4.568 0.022 1
1 643 . 3 1 1 A 55 55 PRO C C 55 179.400 177.651 1.749 1
1 644 . 3 1 1 A 55 55 PRO CA C 55 62.100 62.651 -0.551 1
1 645 . 3 1 1 A 55 55 PRO CB C 55 32.900 32.120 0.780 1
1 648 . 3 1 1 A 56 56 TRP H H 56 8.690 8.574 0.116 1
1 649 . 3 1 1 A 56 56 TRP HA H 56 3.990 4.327 -0.337 1
1 657 . 3 1 1 A 56 56 TRP C C 56 177.500 177.997 -0.497 1
1 658 . 3 1 1 A 56 56 TRP CA C 56 61.000 60.185 0.815 1
1 659 . 3 1 1 A 56 56 TRP CB C 56 27.400 28.807 -1.407 1
1 664 . 3 1 1 A 56 56 TRP N N 56 122.500 125.435 -2.935 1
1 666 . 3 1 1 A 57 57 GLU H H 57 8.410 7.920 0.490 1
1 667 . 3 1 1 A 57 57 GLU HA H 57 3.270 4.074 -0.804 1
1 672 . 3 1 1 A 57 57 GLU C C 57 178.000 177.156 0.844 1
1 673 . 3 1 1 A 57 57 GLU CA C 57 60.200 58.887 1.313 1
1 674 . 3 1 1 A 57 57 GLU CB C 57 28.200 28.515 -0.315 1
1 676 . 3 1 1 A 57 57 GLU N N 57 120.600 118.957 1.643 1
1 677 . 3 1 1 A 58 58 GLN H H 58 7.600 7.652 -0.052 1
1 678 . 3 1 1 A 58 58 GLN HA H 58 4.170 4.635 -0.465 1
1 683 . 3 1 1 A 58 58 GLN C C 58 175.500 176.186 -0.686 1
1 684 . 3 1 1 A 58 58 GLN CA C 58 56.000 54.697 1.303 1
1 685 . 3 1 1 A 58 58 GLN CB C 58 29.600 29.016 0.584 1
1 687 . 3 1 1 A 58 58 GLN N N 58 114.700 118.003 -3.303 1
1 688 . 3 1 1 A 59 59 LEU H H 59 7.440 8.291 -0.851 1
1 689 . 3 1 1 A 59 59 LEU HA H 59 4.220 4.532 -0.312 1
1 699 . 3 1 1 A 59 59 LEU C C 59 175.100 176.139 -1.039 1
1 700 . 3 1 1 A 59 59 LEU CA C 59 55.600 54.725 0.875 1
1 701 . 3 1 1 A 59 59 LEU CB C 59 44.700 44.503 0.197 1
1 705 . 3 1 1 A 59 59 LEU N N 59 119.500 120.500 -1.000 1
1 706 . 3 1 1 A 60 60 LEU H H 60 8.120 7.097 1.023 1
1 707 . 3 1 1 A 60 60 LEU HA H 60 4.410 5.021 -0.611 1
1 717 . 3 1 1 A 60 60 LEU C C 60 176.100 175.948 0.152 1
1 718 . 3 1 1 A 60 60 LEU CA C 60 55.400 52.926 2.474 1
1 719 . 3 1 1 A 60 60 LEU CB C 60 42.900 45.730 -2.830 1
1 723 . 3 1 1 A 60 60 LEU N N 60 119.300 116.230 3.070 1
1 724 . 3 1 1 A 61 61 ASN H H 61 9.120 8.243 0.877 1
1 729 . 3 1 1 A 61 61 ASN C C 61 175.600 174.905 0.695 1
1 730 . 3 1 1 A 61 61 ASN CA C 61 51.300 53.839 -2.539 1
1 731 . 3 1 1 A 61 61 ASN CB C 61 36.800 39.010 -2.210 1
1 732 . 3 1 1 A 61 61 ASN N N 61 124.900 118.030 6.870 1
1 734 . 3 1 1 A 62 62 ARG H H 62 8.140 8.820 -0.680 1
1 735 . 3 1 1 A 62 62 ARG HA H 62 3.450 4.146 -0.696 1
1 742 . 3 1 1 A 62 62 ARG C C 62 175.200 177.408 -2.208 1
1 743 . 3 1 1 A 62 62 ARG CA C 62 57.600 57.147 0.453 1
1 744 . 3 1 1 A 62 62 ARG CB C 62 30.200 31.346 -1.146 1
1 747 . 3 1 1 A 62 62 ARG N N 62 125.500 120.931 4.569 1
1 748 . 3 1 1 A 63 63 ALA H H 63 7.610 7.356 0.254 1
1 749 . 3 1 1 A 63 63 ALA HA H 63 4.460 4.253 0.207 1
1 753 . 3 1 1 A 63 63 ALA C C 63 178.300 178.166 0.134 1
1 754 . 3 1 1 A 63 63 ALA CA C 63 51.800 52.725 -0.925 1
1 755 . 3 1 1 A 63 63 ALA CB C 63 19.300 19.917 -0.617 1
1 756 . 3 1 1 A 63 63 ALA N N 63 118.600 119.259 -0.659 1
1 757 . 3 1 1 A 64 64 GLY H H 64 7.150 8.133 -0.983 1
1 758 . 3 1 1 A 64 64 GLY HA2 H 64 4.410 4.022 0.388 1
1 759 . 3 1 1 A 64 64 GLY HA3 H 64 4.020 4.033 -0.013 1
1 760 . 3 1 1 A 64 64 GLY C C 64 173.500 175.418 -1.918 1
1 761 . 3 1 1 A 64 64 GLY CA C 64 45.400 45.574 -0.174 1
1 762 . 3 1 1 A 64 64 GLY N N 64 105.700 105.935 -0.235 1
1 763 . 3 1 1 A 65 65 THR H H 65 8.340 8.883 -0.543 1
1 764 . 3 1 1 A 65 65 THR HA H 65 3.880 4.013 -0.133 1
1 769 . 3 1 1 A 65 65 THR C C 65 176.300 176.189 0.111 1
1 770 . 3 1 1 A 65 65 THR CA C 65 65.500 65.577 -0.077 1
1 771 . 3 1 1 A 65 65 THR CB C 65 69.000 68.278 0.722 1
1 773 . 3 1 1 A 65 65 THR N N 65 113.400 116.859 -3.459 1
1 774 . 3 1 1 A 66 66 THR H H 66 7.940 8.121 -0.181 1
1 775 . 3 1 1 A 66 66 THR HA H 66 3.820 4.164 -0.344 1
1 780 . 3 1 1 A 66 66 THR C C 66 176.100 176.807 -0.707 1
1 781 . 3 1 1 A 66 66 THR CA C 66 67.000 65.967 1.033 1
1 782 . 3 1 1 A 66 66 THR CB C 66 68.000 68.293 -0.293 1
1 784 . 3 1 1 A 66 66 THR N N 66 116.200 114.142 2.058 1
1 785 . 3 1 1 A 67 67 PHE H H 67 8.720 7.786 0.934 1
1 786 . 3 1 1 A 67 67 PHE HA H 67 4.130 4.192 -0.062 1
1 793 . 3 1 1 A 67 67 PHE C C 67 176.900 177.469 -0.569 1
1 794 . 3 1 1 A 67 67 PHE CA C 67 61.500 60.748 0.752 1
1 795 . 3 1 1 A 67 67 PHE CB C 67 39.800 39.132 0.668 1
1 800 . 3 1 1 A 67 67 PHE N N 67 122.400 123.733 -1.333 1
1 801 . 3 1 1 A 68 68 ARG H H 68 7.750 7.706 0.044 1
1 802 . 3 1 1 A 68 68 ARG HA H 68 3.790 4.429 -0.639 1
1 809 . 3 1 1 A 68 68 ARG C C 68 176.800 178.412 -1.612 1
1 810 . 3 1 1 A 68 68 ARG CA C 68 59.200 58.063 1.137 1
1 811 . 3 1 1 A 68 68 ARG CB C 68 30.200 29.945 0.255 1
1 814 . 3 1 1 A 68 68 ARG N N 68 114.400 117.871 -3.471 1
1 815 . 3 1 1 A 69 69 LYS H H 69 7.360 7.525 -0.165 1
1 816 . 3 1 1 A 69 69 LYS HA H 69 4.190 4.147 0.043 1
1 819 . 3 1 1 A 69 69 LYS C C 69 177.400 177.683 -0.283 1
1 820 . 3 1 1 A 69 69 LYS CA C 69 56.700 59.262 -2.562 1
1 821 . 3 1 1 A 69 69 LYS CB C 69 33.000 32.245 0.755 1
1 825 . 3 1 1 A 69 69 LYS N N 69 115.600 117.233 -1.633 1
1 826 . 3 1 1 A 70 70 LEU H H 70 7.440 7.592 -0.152 1
1 827 . 3 1 1 A 70 70 LEU HA H 70 4.350 4.406 -0.056 1
1 830 . 3 1 1 A 70 70 LEU CA C 70 53.800 52.881 0.919 1
1 831 . 3 1 1 A 70 70 LEU CB C 70 41.000 40.784 0.216 1
1 832 . 3 1 1 A 70 70 LEU N N 70 121.400 118.519 2.881 1
1 833 . 3 1 1 A 71 71 PRO HA H 71 4.460 4.532 -0.072 1
1 840 . 3 1 1 A 71 71 PRO C C 71 177.500 176.412 1.088 1
1 841 . 3 1 1 A 71 71 PRO CA C 71 62.800 62.285 0.515 1
1 842 . 3 1 1 A 71 71 PRO CB C 71 32.600 33.323 -0.723 1
1 845 . 3 1 1 A 72 72 GLU H H 72 9.010 8.641 0.369 1
1 846 . 3 1 1 A 72 72 GLU HA H 72 3.650 4.017 -0.367 1
1 851 . 3 1 1 A 72 72 GLU C C 72 177.600 178.562 -0.962 1
1 852 . 3 1 1 A 72 72 GLU CA C 72 60.500 59.632 0.868 1
1 853 . 3 1 1 A 72 72 GLU CB C 72 29.900 29.239 0.661 1
1 855 . 3 1 1 A 72 72 GLU N N 72 124.100 120.659 3.441 1
1 856 . 3 1 1 A 73 73 ASP H H 73 8.860 7.978 0.882 1
1 857 . 3 1 1 A 73 73 ASP HA H 73 4.290 4.426 -0.136 1
1 860 . 3 1 1 A 73 73 ASP C C 73 177.600 178.709 -1.109 1
1 861 . 3 1 1 A 73 73 ASP CA C 73 56.700 57.123 -0.423 1
1 862 . 3 1 1 A 73 73 ASP CB C 73 39.300 40.837 -1.537 1
1 863 . 3 1 1 A 73 73 ASP N N 73 116.200 119.958 -3.758 1
1 864 . 3 1 1 A 74 74 VAL H H 74 7.120 8.097 -0.977 1
1 865 . 3 1 1 A 74 74 VAL HA H 74 3.740 3.553 0.187 1
1 873 . 3 1 1 A 74 74 VAL C C 74 178.200 178.085 0.115 1
1 874 . 3 1 1 A 74 74 VAL CA C 74 65.000 67.221 -2.221 1
1 875 . 3 1 1 A 74 74 VAL CB C 74 32.100 31.308 0.792 1
1 878 . 3 1 1 A 74 74 VAL N N 74 120.400 120.110 0.290 1
1 879 . 3 1 1 A 75 75 ARG H H 75 7.700 7.635 0.065 1
1 880 . 3 1 1 A 75 75 ARG HA H 75 3.790 3.970 -0.180 1
1 887 . 3 1 1 A 75 75 ARG C C 75 178.500 177.888 0.612 1
1 888 . 3 1 1 A 75 75 ARG CA C 75 59.600 58.514 1.086 1
1 889 . 3 1 1 A 75 75 ARG CB C 75 31.100 29.755 1.345 1
1 892 . 3 1 1 A 75 75 ARG N N 75 115.900 119.625 -3.725 1
1 893 . 3 1 1 A 76 76 SER H H 76 8.260 7.876 0.384 1
1 894 . 3 1 1 A 76 76 SER HA H 76 4.380 4.342 0.038 1
1 897 . 3 1 1 A 76 76 SER C C 76 174.700 175.562 -0.862 1
1 898 . 3 1 1 A 76 76 SER CA C 76 60.500 60.942 -0.442 1
1 899 . 3 1 1 A 76 76 SER CB C 76 63.500 63.215 0.285 1
1 900 . 3 1 1 A 76 76 SER N N 76 111.800 115.787 -3.987 1
1 901 . 3 1 1 A 77 77 ASN H H 77 7.380 7.699 -0.319 1
1 902 . 3 1 1 A 77 77 ASN HA H 77 5.010 4.866 0.144 1
1 907 . 3 1 1 A 77 77 ASN C C 77 174.300 175.043 -0.743 1
1 908 . 3 1 1 A 77 77 ASN CA C 77 52.600 53.068 -0.468 1
1 909 . 3 1 1 A 77 77 ASN CB C 77 39.800 38.668 1.132 1
1 910 . 3 1 1 A 77 77 ASN N N 77 118.000 117.132 0.868 1
1 912 . 3 1 1 A 78 78 VAL H H 78 7.300 7.332 -0.032 1
1 913 . 3 1 1 A 78 78 VAL HA H 78 3.850 3.912 -0.062 1
1 921 . 3 1 1 A 78 78 VAL C C 78 173.200 174.339 -1.139 1
1 922 . 3 1 1 A 78 78 VAL CA C 78 63.600 62.496 1.104 1
1 923 . 3 1 1 A 78 78 VAL CB C 78 32.100 32.222 -0.122 1
1 926 . 3 1 1 A 78 78 VAL N N 78 121.200 121.149 0.051 1
1 927 . 3 1 1 A 79 79 ASP H H 79 7.660 8.381 -0.721 1
1 928 . 3 1 1 A 79 79 ASP HA H 79 4.380 4.934 -0.554 1
1 931 . 3 1 1 A 79 79 ASP C C 79 173.700 175.884 -2.184 1
1 932 . 3 1 1 A 79 79 ASP CA C 79 51.500 51.933 -0.433 1
1 933 . 3 1 1 A 79 79 ASP CB C 79 41.800 43.497 -1.697 1
1 934 . 3 1 1 A 79 79 ASP N N 79 127.000 128.255 -1.255 1
1 935 . 3 1 1 A 80 80 ALA H H 80 8.110 8.715 -0.605 1
1 936 . 3 1 1 A 80 80 ALA HA H 80 2.420 3.857 -1.437 1
1 940 . 3 1 1 A 80 80 ALA C C 80 178.700 179.771 -1.071 1
1 941 . 3 1 1 A 80 80 ALA CA C 80 55.600 55.264 0.336 1
1 942 . 3 1 1 A 80 80 ALA CB C 80 18.600 18.337 0.263 1
1 943 . 3 1 1 A 80 80 ALA N N 80 119.900 121.570 -1.670 1
1 944 . 3 1 1 A 81 81 ALA H H 81 7.760 8.187 -0.427 1
1 945 . 3 1 1 A 81 81 ALA HA H 81 4.030 3.953 0.077 1
1 949 . 3 1 1 A 81 81 ALA C C 81 180.700 179.729 0.971 1
1 950 . 3 1 1 A 81 81 ALA CA C 81 54.800 55.255 -0.455 1
1 951 . 3 1 1 A 81 81 ALA CB C 81 18.300 18.641 -0.341 1
1 952 . 3 1 1 A 81 81 ALA N N 81 118.500 120.312 -1.812 1
1 953 . 3 1 1 A 82 82 SER H H 82 8.480 8.047 0.433 1
1 954 . 3 1 1 A 82 82 SER HA H 82 4.240 3.985 0.255 1
1 957 . 3 1 1 A 82 82 SER C C 82 177.200 176.883 0.317 1
1 958 . 3 1 1 A 82 82 SER CA C 82 60.300 61.367 -1.067 1
1 959 . 3 1 1 A 82 82 SER CB C 82 62.700 62.877 -0.177 1
1 960 . 3 1 1 A 82 82 SER N N 82 115.300 112.592 2.708 1
1 961 . 3 1 1 A 83 83 ALA H H 83 8.970 7.994 0.976 1
1 962 . 3 1 1 A 83 83 ALA HA H 83 3.820 3.811 0.009 1
1 966 . 3 1 1 A 83 83 ALA C C 83 178.600 179.949 -1.349 1
1 967 . 3 1 1 A 83 83 ALA CA C 83 55.600 55.092 0.508 1
1 968 . 3 1 1 A 83 83 ALA CB C 83 19.400 18.082 1.318 1
1 969 . 3 1 1 A 83 83 ALA N N 83 124.700 121.944 2.756 1
1 970 . 3 1 1 A 84 84 ARG H H 84 7.250 8.004 -0.754 1
1 971 . 3 1 1 A 84 84 ARG HA H 84 3.740 4.057 -0.317 1
1 978 . 3 1 1 A 84 84 ARG C C 84 176.600 178.839 -2.239 1
1 979 . 3 1 1 A 84 84 ARG CA C 84 60.100 59.303 0.797 1
1 980 . 3 1 1 A 84 84 ARG CB C 84 29.900 29.839 0.061 1
1 983 . 3 1 1 A 84 84 ARG N N 84 116.500 117.498 -0.998 1
1 984 . 3 1 1 A 85 85 GLU H H 85 7.240 7.993 -0.753 1
1 985 . 3 1 1 A 85 85 GLU HA H 85 3.890 4.030 -0.140 1
1 990 . 3 1 1 A 85 85 GLU C C 85 179.800 179.444 0.356 1
1 991 . 3 1 1 A 85 85 GLU CA C 85 59.200 58.748 0.452 1
1 992 . 3 1 1 A 85 85 GLU CB C 85 29.300 29.486 -0.186 1
1 994 . 3 1 1 A 85 85 GLU N N 85 115.600 119.948 -4.348 1
1 995 . 3 1 1 A 86 86 LEU H H 86 8.620 8.609 0.011 1
1 996 . 3 1 1 A 86 86 LEU HA H 86 4.030 3.921 0.109 1
1 1006 . 3 1 1 A 86 86 LEU C C 86 178.600 179.162 -0.562 1
1 1007 . 3 1 1 A 86 86 LEU CA C 86 58.100 57.837 0.263 1
1 1008 . 3 1 1 A 86 86 LEU CB C 86 42.200 41.877 0.323 1
1 1012 . 3 1 1 A 86 86 LEU N N 86 120.800 120.726 0.074 1
1 1013 . 3 1 1 A 87 87 MET H H 87 7.840 8.258 -0.418 1
1 1014 . 3 1 1 A 87 87 MET HA H 87 3.680 4.130 -0.450 1
1 1022 . 3 1 1 A 87 87 MET C C 87 175.600 178.442 -2.842 1
1 1023 . 3 1 1 A 87 87 MET CA C 87 60.000 58.754 1.246 1
1 1024 . 3 1 1 A 87 87 MET CB C 87 34.300 31.894 2.406 1
1 1027 . 3 1 1 A 87 87 MET N N 87 116.700 116.570 0.130 1
1 1028 . 3 1 1 A 88 88 LEU H H 88 7.490 8.184 -0.694 1
1 1029 . 3 1 1 A 88 88 LEU HA H 88 3.890 4.076 -0.186 1
1 1039 . 3 1 1 A 88 88 LEU C C 88 179.200 178.372 0.828 1
1 1040 . 3 1 1 A 88 88 LEU CA C 88 57.000 58.133 -1.133 1
1 1041 . 3 1 1 A 88 88 LEU CB C 88 41.800 41.837 -0.037 1
1 1045 . 3 1 1 A 88 88 LEU N N 88 113.400 121.822 -8.422 1
1 1046 . 3 1 1 A 89 89 ALA H H 89 7.690 7.902 -0.212 1
1 1047 . 3 1 1 A 89 89 ALA HA H 89 4.210 4.210 0.000 1
1 1051 . 3 1 1 A 89 89 ALA C C 89 179.100 177.856 1.244 1
1 1052 . 3 1 1 A 89 89 ALA CA C 89 54.100 54.799 -0.699 1
1 1053 . 3 1 1 A 89 89 ALA CB C 89 19.200 19.060 0.140 1
1 1054 . 3 1 1 A 89 89 ALA N N 89 119.100 119.873 -0.773 1
1 1055 . 3 1 1 A 90 90 GLN H H 90 8.100 8.272 -0.172 1
1 1062 . 3 1 1 A 90 90 GLN CA C 90 53.400 53.129 0.271 1
1 1063 . 3 1 1 A 90 90 GLN CB C 90 30.900 28.744 2.156 1
1 1064 . 3 1 1 A 90 90 GLN N N 90 115.100 114.997 0.103 1
1 1066 . 3 1 1 A 91 91 PRO HA H 91 4.530 4.648 -0.118 1
1 1073 . 3 1 1 A 91 91 PRO C C 91 178.300 177.297 1.003 1
1 1074 . 3 1 1 A 91 91 PRO CA C 91 64.300 64.161 0.139 1
1 1075 . 3 1 1 A 91 91 PRO CB C 91 31.800 31.939 -0.139 1
1 1078 . 3 1 1 A 92 92 SER H H 92 8.510 8.259 0.251 1
1 1079 . 3 1 1 A 92 92 SER HA H 92 4.310 3.936 0.374 1
1 1082 . 3 1 1 A 92 92 SER C C 92 174.200 175.870 -1.670 1
1 1083 . 3 1 1 A 92 92 SER CA C 92 62.000 60.660 1.340 1
1 1084 . 3 1 1 A 92 92 SER CB C 92 62.500 62.218 0.282 1
1 1085 . 3 1 1 A 92 92 SER N N 92 115.000 114.364 0.636 1
1 1086 . 3 1 1 A 93 93 MET H H 93 8.790 7.487 1.303 1
1 1087 . 3 1 1 A 93 93 MET HA H 93 4.560 4.475 0.085 1
1 1092 . 3 1 1 A 93 93 MET C C 93 174.900 176.448 -1.548 1
1 1093 . 3 1 1 A 93 93 MET CA C 93 56.900 56.588 0.312 1
1 1094 . 3 1 1 A 93 93 MET CB C 93 35.000 33.031 1.969 1
1 1096 . 3 1 1 A 93 93 MET N N 93 118.400 118.584 -0.184 1
1 1097 . 3 1 1 A 94 94 VAL H H 94 7.540 7.715 -0.175 1
1 1098 . 3 1 1 A 94 94 VAL HA H 94 4.080 3.969 0.111 1
1 1106 . 3 1 1 A 94 94 VAL C C 94 178.000 175.917 2.083 1
1 1107 . 3 1 1 A 94 94 VAL CA C 94 63.100 63.081 0.019 1
1 1108 . 3 1 1 A 94 94 VAL CB C 94 31.700 31.766 -0.066 1
1 1111 . 3 1 1 A 94 94 VAL N N 94 121.000 121.232 -0.232 1
1 1112 . 3 1 1 A 95 95 LYS H H 95 9.550 8.696 0.854 1
1 1113 . 3 1 1 A 95 95 LYS HA H 95 3.940 4.244 -0.304 1
1 1116 . 3 1 1 A 95 95 LYS CA C 95 58.800 56.967 1.833 1
1 1117 . 3 1 1 A 95 95 LYS CB C 95 33.500 33.320 0.180 1
1 1121 . 3 1 1 A 95 95 LYS N N 95 131.200 125.865 5.335 1
1 1122 . 3 1 1 A 96 96 ARG H H 96 8.260 8.760 -0.500 1
1 1125 . 3 1 1 A 96 96 ARG CA C 96 52.700 54.418 -1.718 1
1 1126 . 3 1 1 A 96 96 ARG CB C 96 34.400 32.738 1.662 1
1 1127 . 3 1 1 A 96 96 ARG N N 96 117.100 121.642 -4.542 1
1 1134 . 3 1 1 A 97 97 PRO C C 97 176.600 175.177 1.423 1
1 1135 . 3 1 1 A 97 97 PRO CA C 97 62.400 62.484 -0.084 1
1 1136 . 3 1 1 A 97 97 PRO CB C 97 34.700 32.764 1.936 1
1 1139 . 3 1 1 A 98 98 VAL H H 98 7.540 8.212 -0.672 1
1 1140 . 3 1 1 A 98 98 VAL HA H 98 4.460 4.867 -0.407 1
1 1148 . 3 1 1 A 98 98 VAL C C 98 173.500 174.384 -0.884 1
1 1149 . 3 1 1 A 98 98 VAL CA C 98 64.000 60.336 3.664 1
1 1150 . 3 1 1 A 98 98 VAL CB C 98 33.600 35.373 -1.773 1
1 1153 . 3 1 1 A 98 98 VAL N N 98 117.800 120.333 -2.533 1
1 1154 . 3 1 1 A 99 99 LEU H H 99 9.030 8.962 0.068 1
1 1155 . 3 1 1 A 99 99 LEU HA H 99 5.410 5.048 0.362 1
1 1165 . 3 1 1 A 99 99 LEU C C 99 173.800 174.995 -1.195 1
1 1166 . 3 1 1 A 99 99 LEU CA C 99 54.300 52.667 1.633 1
1 1167 . 3 1 1 A 99 99 LEU CB C 99 45.800 43.545 2.255 1
1 1171 . 3 1 1 A 99 99 LEU N N 99 131.400 126.459 4.941 1
1 1172 . 3 1 1 A 100 100 GLU H H 100 9.390 8.842 0.548 1
1 1173 . 3 1 1 A 100 100 GLU HA H 100 5.050 5.325 -0.275 1
1 1178 . 3 1 1 A 100 100 GLU C C 100 174.200 175.004 -0.804 1
1 1179 . 3 1 1 A 100 100 GLU CA C 100 55.300 54.637 0.663 1
1 1180 . 3 1 1 A 100 100 GLU CB C 100 35.600 32.159 3.441 1
1 1182 . 3 1 1 A 100 100 GLU N N 100 125.800 125.964 -0.164 1
1 1183 . 3 1 1 A 101 101 ARG H H 101 7.610 8.826 -1.216 1
1 1184 . 3 1 1 A 101 101 ARG C C 101 175.900 175.220 0.680 1
1 1185 . 3 1 1 A 101 101 ARG CA C 101 56.700 56.008 0.692 1
1 1186 . 3 1 1 A 101 101 ARG CB C 101 32.500 32.964 -0.464 1
1 1189 . 3 1 1 A 101 101 ARG N N 101 125.100 126.856 -1.756 1
1 1190 . 3 1 1 A 102 102 ASP H H 102 10.080 9.520 0.560 1
1 1191 . 3 1 1 A 102 102 ASP HA H 102 4.450 4.273 0.177 1
1 1194 . 3 1 1 A 102 102 ASP C C 102 175.700 175.508 0.192 1
1 1195 . 3 1 1 A 102 102 ASP CA C 102 55.300 55.050 0.250 1
1 1196 . 3 1 1 A 102 102 ASP CB C 102 40.500 39.679 0.821 1
1 1197 . 3 1 1 A 102 102 ASP N N 102 132.000 126.452 5.548 1
1 1198 . 3 1 1 A 103 103 GLY H H 103 8.870 8.672 0.198 1
1 1199 . 3 1 1 A 103 103 GLY HA2 H 103 4.120 3.871 0.249 1
1 1200 . 3 1 1 A 103 103 GLY HA3 H 103 3.830 3.880 -0.050 1
1 1201 . 3 1 1 A 103 103 GLY C C 103 174.000 173.978 0.022 1
1 1202 . 3 1 1 A 103 103 GLY CA C 103 45.600 45.927 -0.327 1
1 1203 . 3 1 1 A 103 103 GLY N N 103 102.900 104.146 -1.246 1
1 1204 . 3 1 1 A 104 104 LYS H H 104 8.130 7.671 0.459 1
1 1205 . 3 1 1 A 104 104 LYS HA H 104 4.650 4.744 -0.094 1
1 1208 . 3 1 1 A 104 104 LYS C C 104 176.500 174.467 2.033 1
1 1209 . 3 1 1 A 104 104 LYS CA C 104 55.500 55.090 0.410 1
1 1210 . 3 1 1 A 104 104 LYS CB C 104 32.600 35.070 -2.470 1
1 1214 . 3 1 1 A 104 104 LYS N N 104 122.400 120.938 1.462 1
1 1215 . 3 1 1 A 105 105 LEU H H 105 8.920 8.934 -0.014 1
1 1216 . 3 1 1 A 105 105 LEU HA H 105 5.420 5.357 0.063 1
1 1226 . 3 1 1 A 105 105 LEU C C 105 177.200 174.707 2.493 1
1 1227 . 3 1 1 A 105 105 LEU CA C 105 54.300 53.724 0.576 1
1 1228 . 3 1 1 A 105 105 LEU CB C 105 45.400 44.802 0.598 1
1 1232 . 3 1 1 A 105 105 LEU N N 105 129.200 128.999 0.201 1
1 1233 . 3 1 1 A 106 106 MET H H 106 8.860 9.025 -0.165 1
1 1234 . 3 1 1 A 106 106 MET HA H 106 4.580 5.118 -0.538 1
1 1239 . 3 1 1 A 106 106 MET C C 106 174.500 174.238 0.262 1
1 1240 . 3 1 1 A 106 106 MET CA C 106 55.300 54.459 0.841 1
1 1241 . 3 1 1 A 106 106 MET CB C 106 36.500 36.879 -0.379 1
1 1243 . 3 1 1 A 106 106 MET N N 106 121.500 125.381 -3.881 1
1 1244 . 3 1 1 A 107 107 VAL H H 107 9.180 8.447 0.733 1
1 1245 . 3 1 1 A 107 107 VAL HA H 107 4.690 4.389 0.301 1
1 1253 . 3 1 1 A 107 107 VAL C C 107 176.200 175.848 0.352 1
1 1254 . 3 1 1 A 107 107 VAL CA C 107 61.400 61.065 0.335 1
1 1255 . 3 1 1 A 107 107 VAL CB C 107 33.400 32.917 0.483 1
1 1258 . 3 1 1 A 107 107 VAL N N 107 129.500 116.939 12.561 1
1 1259 . 3 1 1 A 108 108 GLY H H 108 8.730 8.416 0.314 1
1 1260 . 3 1 1 A 108 108 GLY HA2 H 108 4.430 3.633 0.797 1
1 1261 . 3 1 1 A 108 108 GLY HA3 H 108 3.850 3.755 0.095 1
1 1262 . 3 1 1 A 108 108 GLY CA C 108 43.800 45.279 -1.479 1
1 1263 . 3 1 1 A 108 108 GLY N N 108 113.600 110.200 3.400 1
1 1271 . 3 1 1 A 109 109 PHE C C 109 172.700 175.288 -2.588 1
1 1272 . 3 1 1 A 109 109 PHE CA C 109 58.900 56.409 2.491 1
1 1273 . 3 1 1 A 109 109 PHE CB C 109 42.100 42.974 -0.874 1
1 1279 . 3 1 1 A 110 110 LYS H H 110 6.510 8.588 -2.078 1
1 1282 . 3 1 1 A 110 110 LYS CA C 110 53.500 55.203 -1.703 1
1 1283 . 3 1 1 A 110 110 LYS CB C 110 34.800 31.982 2.818 1
1 1284 . 3 1 1 A 110 110 LYS N N 110 126.600 121.307 5.293 1
1 1285 . 3 1 1 A 111 111 PRO HA H 111 3.360 4.253 -0.893 1
1 1292 . 3 1 1 A 111 111 PRO C C 111 177.100 178.639 -1.539 1
1 1293 . 3 1 1 A 111 111 PRO CA C 111 66.600 65.802 0.798 1
1 1294 . 3 1 1 A 111 111 PRO CB C 111 31.700 31.823 -0.123 1
1 1297 . 3 1 1 A 112 112 ALA H H 112 8.450 8.357 0.093 1
1 1298 . 3 1 1 A 112 112 ALA HA H 112 4.140 4.108 0.032 1
1 1302 . 3 1 1 A 112 112 ALA C C 112 180.300 180.727 -0.427 1
1 1303 . 3 1 1 A 112 112 ALA CA C 112 54.900 55.496 -0.596 1
1 1304 . 3 1 1 A 112 112 ALA CB C 112 18.800 18.695 0.105 1
1 1305 . 3 1 1 A 112 112 ALA N N 112 116.200 118.642 -2.442 1
1 1306 . 3 1 1 A 113 113 GLN H H 113 6.880 7.871 -0.991 1
1 1307 . 3 1 1 A 113 113 GLN HA H 113 4.130 4.059 0.071 1
1 1314 . 3 1 1 A 113 113 GLN C C 113 178.400 178.260 0.140 1
1 1315 . 3 1 1 A 113 113 GLN CA C 113 60.100 59.136 0.964 1
1 1316 . 3 1 1 A 113 113 GLN CB C 113 29.100 28.659 0.441 1
1 1318 . 3 1 1 A 113 113 GLN N N 113 118.200 117.649 0.551 1
1 1320 . 3 1 1 A 114 114 TYR H H 114 7.600 8.279 -0.679 1
1 1321 . 3 1 1 A 114 114 TYR HA H 114 3.800 4.223 -0.423 1
1 1328 . 3 1 1 A 114 114 TYR C C 114 177.100 178.244 -1.144 1
1 1329 . 3 1 1 A 114 114 TYR CA C 114 61.700 61.549 0.151 1
1 1330 . 3 1 1 A 114 114 TYR CB C 114 33.200 38.695 -5.495 1
1 1335 . 3 1 1 A 114 114 TYR N N 114 124.900 121.021 3.879 1
1 1336 . 3 1 1 A 115 115 GLU H H 115 8.610 8.619 -0.009 1
1 1337 . 3 1 1 A 115 115 GLU HA H 115 4.160 4.363 -0.203 1
1 1342 . 3 1 1 A 115 115 GLU C C 115 178.800 179.413 -0.613 1
1 1343 . 3 1 1 A 115 115 GLU CA C 115 60.100 59.783 0.317 1
1 1344 . 3 1 1 A 115 115 GLU CB C 115 30.000 30.044 -0.044 1
1 1346 . 3 1 1 A 115 115 GLU N N 115 119.300 118.706 0.594 1
1 1347 . 3 1 1 A 116 116 ALA H H 116 7.390 8.071 -0.681 1
1 1348 . 3 1 1 A 116 116 ALA HA H 116 4.210 4.198 0.012 1
1 1352 . 3 1 1 A 116 116 ALA C C 116 179.700 179.550 0.150 1
1 1353 . 3 1 1 A 116 116 ALA CA C 116 54.600 54.942 -0.342 1
1 1354 . 3 1 1 A 116 116 ALA CB C 116 18.200 18.154 0.046 1
1 1355 . 3 1 1 A 116 116 ALA N N 116 118.200 122.417 -4.217 1
1 1356 . 3 1 1 A 117 117 TYR H H 117 7.780 8.171 -0.391 1
1 1357 . 3 1 1 A 117 117 TYR HA H 117 3.890 4.190 -0.300 1
1 1364 . 3 1 1 A 117 117 TYR C C 117 177.300 177.686 -0.386 1
1 1365 . 3 1 1 A 117 117 TYR CA C 117 61.100 61.672 -0.572 1
1 1366 . 3 1 1 A 117 117 TYR CB C 117 39.200 38.558 0.642 1
1 1371 . 3 1 1 A 117 117 TYR N N 117 120.200 119.908 0.292 1
1 1372 . 3 1 1 A 118 118 PHE H H 118 7.960 8.168 -0.208 1
1 1379 . 3 1 1 A 118 118 PHE C C 118 174.900 176.509 -1.609 1
1 1380 . 3 1 1 A 118 118 PHE CA C 118 57.850 61.364 -3.514 1
1 1381 . 3 1 1 A 118 118 PHE CB C 118 39.100 39.181 -0.081 1
1 1386 . 3 1 1 A 118 118 PHE N N 118 113.100 120.981 -7.881 1
1 1387 . 3 1 1 A 119 119 LYS H H 119 7.670 7.448 0.222 1
1 1388 . 3 1 1 A 119 119 LYS HA H 119 4.210 4.264 -0.054 1
1 1397 . 3 1 1 A 119 119 LYS CA C 119 57.300 56.381 0.919 1
1 1398 . 3 1 1 A 119 119 LYS CB C 119 31.200 33.155 -1.955 1
1 1402 . 3 1 1 A 119 119 LYS N N 119 120.200 118.995 1.205 1
1 1 . 4 1 1 A 2 2 PRO HA H 2 4.500 4.199 0.301 1
1 8 . 4 1 1 A 2 2 PRO C C 2 177.500 177.060 0.440 1
1 9 . 4 1 1 A 2 2 PRO CA C 2 63.500 63.544 -0.044 1
1 10 . 4 1 1 A 2 2 PRO CB C 2 32.200 32.416 -0.216 1
1 13 . 4 1 1 A 3 3 GLY H H 3 8.113 8.908 -0.795 1
1 14 . 4 1 1 A 3 3 GLY HA2 H 3 4.060 4.023 0.037 1
1 15 . 4 1 1 A 3 3 GLY HA3 H 3 4.030 4.026 0.004 1
1 16 . 4 1 1 A 3 3 GLY CA C 3 45.300 45.765 -0.465 1
1 17 . 4 1 1 A 3 3 GLY N N 3 110.500 110.791 -0.291 1
1 18 . 4 1 1 A 4 4 SER H H 4 8.280 8.135 0.145 1
1 19 . 4 1 1 A 4 4 SER HA H 4 4.520 4.226 0.294 1
1 22 . 4 1 1 A 4 4 SER C C 4 178.100 176.126 1.974 1
1 23 . 4 1 1 A 4 4 SER CA C 4 58.600 61.440 -2.840 1
1 24 . 4 1 1 A 4 4 SER CB C 4 63.800 62.935 0.865 1
1 25 . 4 1 1 A 4 4 SER N N 4 115.900 115.489 0.411 1
1 26 . 4 1 1 A 5 5 MET H H 5 8.680 7.834 0.846 1
1 27 . 4 1 1 A 5 5 MET HA H 5 4.700 4.598 0.102 1
1 32 . 4 1 1 A 5 5 MET C C 5 174.800 177.065 -2.265 1
1 33 . 4 1 1 A 5 5 MET CA C 5 54.900 56.481 -1.581 1
1 34 . 4 1 1 A 5 5 MET CB C 5 32.500 33.849 -1.349 1
1 36 . 4 1 1 A 5 5 MET N N 5 121.500 119.046 2.454 1
1 37 . 4 1 1 A 6 6 SER H H 6 8.220 8.074 0.146 1
1 38 . 4 1 1 A 6 6 SER HA H 6 4.580 4.602 -0.022 1
1 41 . 4 1 1 A 6 6 SER C C 6 174.200 172.853 1.347 1
1 42 . 4 1 1 A 6 6 SER CA C 6 59.100 58.045 1.055 1
1 43 . 4 1 1 A 6 6 SER CB C 6 63.800 61.248 2.552 1
1 44 . 4 1 1 A 6 6 SER N N 6 117.000 114.967 2.033 1
1 45 . 4 1 1 A 7 7 VAL H H 7 8.750 8.307 0.443 1
1 46 . 4 1 1 A 7 7 VAL HA H 7 4.840 4.877 -0.037 1
1 54 . 4 1 1 A 7 7 VAL C C 7 175.800 174.954 0.846 1
1 55 . 4 1 1 A 7 7 VAL CA C 7 61.800 61.150 0.650 1
1 56 . 4 1 1 A 7 7 VAL CB C 7 33.800 34.340 -0.540 1
1 59 . 4 1 1 A 7 7 VAL N N 7 124.100 123.985 0.115 1
1 60 . 4 1 1 A 8 8 THR H H 8 8.880 8.540 0.340 1
1 61 . 4 1 1 A 8 8 THR HA H 8 5.360 5.115 0.245 1
1 66 . 4 1 1 A 8 8 THR C C 8 172.500 172.647 -0.147 1
1 67 . 4 1 1 A 8 8 THR CA C 8 61.700 61.554 0.146 1
1 68 . 4 1 1 A 8 8 THR CB C 8 70.600 71.703 -1.103 1
1 70 . 4 1 1 A 8 8 THR N N 8 124.500 123.146 1.354 1
1 71 . 4 1 1 A 9 9 ILE H H 9 9.170 9.135 0.035 1
1 72 . 4 1 1 A 9 9 ILE HA H 9 5.610 5.518 0.092 1
1 82 . 4 1 1 A 9 9 ILE C C 9 172.500 172.718 -0.218 1
1 83 . 4 1 1 A 9 9 ILE CA C 9 58.300 58.603 -0.303 1
1 84 . 4 1 1 A 9 9 ILE CB C 9 42.400 41.530 0.870 1
1 88 . 4 1 1 A 9 9 ILE N N 9 123.900 128.350 -4.450 1
1 89 . 4 1 1 A 10 10 TYR H H 10 9.740 9.443 0.297 1
1 90 . 4 1 1 A 10 10 TYR HA H 10 5.410 5.700 -0.290 1
1 95 . 4 1 1 A 10 10 TYR C C 10 177.500 175.828 1.672 1
1 96 . 4 1 1 A 10 10 TYR CA C 10 56.500 55.467 1.033 1
1 97 . 4 1 1 A 10 10 TYR CB C 10 40.300 41.297 -0.997 1
1 100 . 4 1 1 A 10 10 TYR N N 10 125.300 127.484 -2.184 1
1 101 . 4 1 1 A 11 11 GLY H H 11 7.880 8.118 -0.238 1
1 102 . 4 1 1 A 11 11 GLY HA2 H 11 4.700 4.290 0.410 1
1 103 . 4 1 1 A 11 11 GLY HA3 H 11 4.700 4.382 0.318 1
1 104 . 4 1 1 A 11 11 GLY C C 11 170.000 172.322 -2.322 1
1 105 . 4 1 1 A 11 11 GLY CA C 11 46.700 46.007 0.693 1
1 106 . 4 1 1 A 11 11 GLY N N 11 108.600 109.626 -1.026 1
1 107 . 4 1 1 A 12 12 ILE H H 12 6.340 8.777 -2.437 1
1 108 . 4 1 1 A 12 12 ILE HA H 12 5.330 5.325 0.005 1
1 118 . 4 1 1 A 12 12 ILE C C 12 175.100 174.472 0.628 1
1 119 . 4 1 1 A 12 12 ILE CA C 12 59.300 58.669 0.631 1
1 120 . 4 1 1 A 12 12 ILE CB C 12 41.000 42.276 -1.276 1
1 124 . 4 1 1 A 12 12 ILE N N 12 113.300 118.858 -5.558 1
1 125 . 4 1 1 A 13 13 LYS H H 13 9.450 8.544 0.906 1
1 126 . 4 1 1 A 13 13 LYS HA H 13 4.090 4.523 -0.433 1
1 129 . 4 1 1 A 13 13 LYS C C 13 177.800 175.675 2.125 1
1 130 . 4 1 1 A 13 13 LYS CA C 13 59.200 55.601 3.599 1
1 131 . 4 1 1 A 13 13 LYS CB C 13 33.600 31.083 2.517 1
1 133 . 4 1 1 A 13 13 LYS N N 13 120.900 124.626 -3.726 1
1 134 . 4 1 1 A 14 14 ASN H H 14 8.700 8.160 0.540 1
1 135 . 4 1 1 A 14 14 ASN HA H 14 4.690 5.051 -0.361 1
1 140 . 4 1 1 A 14 14 ASN C C 14 173.100 174.162 -1.062 1
1 141 . 4 1 1 A 14 14 ASN CA C 14 52.700 52.134 0.566 1
1 142 . 4 1 1 A 14 14 ASN CB C 14 36.300 39.634 -3.334 1
1 143 . 4 1 1 A 14 14 ASN N N 14 116.600 122.438 -5.838 1
1 145 . 4 1 1 A 15 15 CYS H H 15 7.440 7.529 -0.089 1
1 146 . 4 1 1 A 15 15 CYS HA H 15 4.510 4.709 -0.199 1
1 149 . 4 1 1 A 15 15 CYS CA C 15 59.100 56.795 2.305 1
1 150 . 4 1 1 A 15 15 CYS CB C 15 30.800 30.821 -0.021 1
1 151 . 4 1 1 A 15 15 CYS N N 15 124.400 116.404 7.996 1
1 152 . 4 1 1 A 16 16 ASP HA H 16 4.460 4.623 -0.163 1
1 155 . 4 1 1 A 16 16 ASP C C 16 178.000 177.991 0.009 1
1 156 . 4 1 1 A 16 16 ASP CA C 16 57.500 54.616 2.884 1
1 157 . 4 1 1 A 16 16 ASP CB C 16 41.400 42.152 -0.752 1
1 158 . 4 1 1 A 17 17 THR H H 17 9.210 7.913 1.297 1
1 159 . 4 1 1 A 17 17 THR HA H 17 4.000 3.805 0.195 1
1 164 . 4 1 1 A 17 17 THR C C 17 176.000 176.628 -0.628 1
1 165 . 4 1 1 A 17 17 THR CA C 17 67.400 67.390 0.010 1
1 166 . 4 1 1 A 17 17 THR CB C 17 68.200 68.067 0.133 1
1 168 . 4 1 1 A 17 17 THR N N 17 122.200 116.373 5.827 1
1 169 . 4 1 1 A 18 18 MET H H 18 8.940 8.087 0.853 1
1 170 . 4 1 1 A 18 18 MET HA H 18 3.990 4.092 -0.102 1
1 176 . 4 1 1 A 18 18 MET C C 18 178.300 179.009 -0.709 1
1 177 . 4 1 1 A 18 18 MET CA C 18 56.000 58.572 -2.572 1
1 178 . 4 1 1 A 18 18 MET CB C 18 31.400 31.780 -0.380 1
1 181 . 4 1 1 A 18 18 MET N N 18 125.300 118.193 7.107 1
1 182 . 4 1 1 A 19 19 LYS H H 19 8.080 8.030 0.050 1
1 183 . 4 1 1 A 19 19 LYS HA H 19 3.800 3.960 -0.160 1
1 186 . 4 1 1 A 19 19 LYS CA C 19 60.000 59.648 0.352 1
1 187 . 4 1 1 A 19 19 LYS CB C 19 32.500 32.167 0.333 1
1 191 . 4 1 1 A 19 19 LYS N N 19 117.900 120.212 -2.312 1
1 192 . 4 1 1 A 20 20 LYS H H 20 7.510 7.986 -0.476 1
1 193 . 4 1 1 A 20 20 LYS HA H 20 3.790 4.100 -0.310 1
1 198 . 4 1 1 A 20 20 LYS C C 20 178.500 178.966 -0.466 1
1 199 . 4 1 1 A 20 20 LYS CA C 20 59.500 59.205 0.295 1
1 200 . 4 1 1 A 20 20 LYS CB C 20 32.800 31.930 0.870 1
1 204 . 4 1 1 A 20 20 LYS N N 20 117.500 118.538 -1.038 1
1 205 . 4 1 1 A 21 21 ALA H H 21 7.730 8.198 -0.468 1
1 206 . 4 1 1 A 21 21 ALA HA H 21 2.540 3.989 -1.449 1
1 210 . 4 1 1 A 21 21 ALA C C 21 178.700 179.512 -0.812 1
1 211 . 4 1 1 A 21 21 ALA CA C 21 54.400 55.022 -0.622 1
1 212 . 4 1 1 A 21 21 ALA CB C 21 19.000 17.977 1.023 1
1 213 . 4 1 1 A 21 21 ALA N N 21 123.600 121.673 1.927 1
1 214 . 4 1 1 A 22 22 ARG H H 22 8.110 8.170 -0.060 1
1 215 . 4 1 1 A 22 22 ARG HA H 22 3.490 4.469 -0.979 1
1 222 . 4 1 1 A 22 22 ARG C C 22 178.200 178.621 -0.421 1
1 223 . 4 1 1 A 22 22 ARG CA C 22 60.500 59.671 0.829 1
1 224 . 4 1 1 A 22 22 ARG CB C 22 30.700 30.299 0.401 1
1 227 . 4 1 1 A 22 22 ARG N N 22 116.100 117.791 -1.691 1
1 228 . 4 1 1 A 23 23 ILE H H 23 7.860 8.166 -0.306 1
1 229 . 4 1 1 A 23 23 ILE HA H 23 3.710 3.750 -0.040 1
1 239 . 4 1 1 A 23 23 ILE C C 23 177.200 178.665 -1.465 1
1 240 . 4 1 1 A 23 23 ILE CA C 23 65.000 65.049 -0.049 1
1 241 . 4 1 1 A 23 23 ILE CB C 23 38.000 37.507 0.493 1
1 245 . 4 1 1 A 23 23 ILE N N 23 119.400 119.028 0.372 1
1 246 . 4 1 1 A 24 24 TRP H H 24 7.880 8.217 -0.337 1
1 247 . 4 1 1 A 24 24 TRP HA H 24 4.270 4.412 -0.142 1
1 256 . 4 1 1 A 24 24 TRP C C 24 176.100 178.028 -1.928 1
1 257 . 4 1 1 A 24 24 TRP CA C 24 63.100 61.183 1.917 1
1 258 . 4 1 1 A 24 24 TRP CB C 24 30.200 29.686 0.514 1
1 264 . 4 1 1 A 24 24 TRP N N 24 121.000 122.309 -1.309 1
1 266 . 4 1 1 A 25 25 LEU H H 25 8.690 8.790 -0.100 1
1 267 . 4 1 1 A 25 25 LEU HA H 25 4.000 4.078 -0.078 1
1 277 . 4 1 1 A 25 25 LEU C C 25 178.600 179.281 -0.681 1
1 278 . 4 1 1 A 25 25 LEU CA C 25 59.700 57.920 1.780 1
1 279 . 4 1 1 A 25 25 LEU CB C 25 41.200 41.038 0.162 1
1 283 . 4 1 1 A 25 25 LEU N N 25 121.800 119.466 2.334 1
1 284 . 4 1 1 A 26 26 GLU H H 26 8.580 8.353 0.227 1
1 285 . 4 1 1 A 26 26 GLU HA H 26 4.200 4.160 0.040 1
1 290 . 4 1 1 A 26 26 GLU C C 26 181.200 178.910 2.290 1
1 291 . 4 1 1 A 26 26 GLU CA C 26 59.500 59.882 -0.382 1
1 292 . 4 1 1 A 26 26 GLU CB C 26 28.800 30.000 -1.200 1
1 294 . 4 1 1 A 26 26 GLU N N 26 120.600 119.035 1.565 1
1 295 . 4 1 1 A 27 27 ASP H H 27 9.360 8.403 0.957 1
1 296 . 4 1 1 A 27 27 ASP HA H 27 4.270 4.267 0.003 1
1 299 . 4 1 1 A 27 27 ASP C C 27 177.400 178.320 -0.920 1
1 300 . 4 1 1 A 27 27 ASP CA C 27 56.400 57.005 -0.605 1
1 301 . 4 1 1 A 27 27 ASP CB C 27 40.000 41.571 -1.571 1
1 302 . 4 1 1 A 27 27 ASP N N 27 121.800 120.816 0.984 1
1 303 . 4 1 1 A 28 28 HIS H H 28 7.340 7.907 -0.567 1
1 304 . 4 1 1 A 28 28 HIS HA H 28 4.250 4.317 -0.067 1
1 309 . 4 1 1 A 28 28 HIS C C 28 173.600 175.375 -1.775 1
1 310 . 4 1 1 A 28 28 HIS CA C 28 56.700 58.089 -1.389 1
1 311 . 4 1 1 A 28 28 HIS CB C 28 27.500 30.255 -2.755 1
1 314 . 4 1 1 A 28 28 HIS N N 28 113.400 118.998 -5.598 1
1 315 . 4 1 1 A 29 29 GLY H H 29 7.790 8.434 -0.644 1
1 316 . 4 1 1 A 29 29 GLY HA2 H 29 3.870 3.899 -0.029 1
1 317 . 4 1 1 A 29 29 GLY HA3 H 29 3.870 3.919 -0.049 1
1 318 . 4 1 1 A 29 29 GLY C C 29 174.200 174.713 -0.513 1
1 319 . 4 1 1 A 29 29 GLY CA C 29 46.900 46.619 0.281 1
1 320 . 4 1 1 A 29 29 GLY N N 29 109.400 107.420 1.980 1
1 321 . 4 1 1 A 30 30 ILE H H 30 8.120 7.927 0.193 1
1 322 . 4 1 1 A 30 30 ILE HA H 30 4.040 4.564 -0.524 1
1 332 . 4 1 1 A 30 30 ILE C C 30 175.500 174.972 0.528 1
1 333 . 4 1 1 A 30 30 ILE CA C 30 60.000 60.168 -0.168 1
1 334 . 4 1 1 A 30 30 ILE CB C 30 38.100 39.324 -1.224 1
1 338 . 4 1 1 A 30 30 ILE N N 30 121.800 120.252 1.548 1
1 339 . 4 1 1 A 31 31 ASP H H 31 8.430 8.992 -0.562 1
1 340 . 4 1 1 A 31 31 ASP HA H 31 4.650 5.255 -0.605 1
1 343 . 4 1 1 A 31 31 ASP C C 31 175.800 175.125 0.675 1
1 344 . 4 1 1 A 31 31 ASP CA C 31 54.600 53.648 0.952 1
1 345 . 4 1 1 A 31 31 ASP CB C 31 41.600 42.389 -0.789 1
1 346 . 4 1 1 A 31 31 ASP N N 31 128.500 127.330 1.170 1
1 347 . 4 1 1 A 32 32 TYR H H 32 7.920 8.802 -0.882 1
1 348 . 4 1 1 A 32 32 TYR HA H 32 5.500 5.481 0.019 1
1 355 . 4 1 1 A 32 32 TYR C C 32 173.800 172.384 1.416 1
1 356 . 4 1 1 A 32 32 TYR CA C 32 56.100 56.861 -0.761 1
1 357 . 4 1 1 A 32 32 TYR CB C 32 41.700 40.552 1.148 1
1 362 . 4 1 1 A 32 32 TYR N N 32 117.500 120.808 -3.308 1
1 363 . 4 1 1 A 33 33 THR H H 33 8.900 8.838 0.062 1
1 364 . 4 1 1 A 33 33 THR HA H 33 4.470 4.560 -0.090 1
1 369 . 4 1 1 A 33 33 THR C C 33 172.900 173.477 -0.577 1
1 370 . 4 1 1 A 33 33 THR CA C 33 61.800 62.182 -0.382 1
1 371 . 4 1 1 A 33 33 THR CB C 33 70.800 69.720 1.080 1
1 373 . 4 1 1 A 33 33 THR N N 33 117.100 117.388 -0.288 1
1 374 . 4 1 1 A 34 34 PHE H H 34 9.280 8.762 0.518 1
1 375 . 4 1 1 A 34 34 PHE HA H 34 5.520 4.634 0.886 1
1 383 . 4 1 1 A 34 34 PHE CA C 34 53.900 57.285 -3.385 1
1 384 . 4 1 1 A 34 34 PHE CB C 34 39.900 39.482 0.418 1
1 390 . 4 1 1 A 34 34 PHE N N 34 128.200 126.938 1.262 1
1 391 . 4 1 1 A 35 35 HIS H H 35 9.210 8.655 0.555 1
1 392 . 4 1 1 A 35 35 HIS HA H 35 4.240 4.987 -0.747 1
1 397 . 4 1 1 A 35 35 HIS CA C 35 54.900 53.960 0.940 1
1 398 . 4 1 1 A 35 35 HIS CB C 35 30.700 32.511 -1.811 1
1 401 . 4 1 1 A 35 35 HIS N N 35 133.900 128.553 5.347 1
1 402 . 4 1 1 A 36 36 ASP H H 36 7.930 8.144 -0.214 1
1 403 . 4 1 1 A 36 36 ASP HA H 36 4.470 4.935 -0.465 1
1 406 . 4 1 1 A 36 36 ASP C C 36 178.500 176.160 2.340 1
1 407 . 4 1 1 A 36 36 ASP CA C 36 50.900 52.550 -1.650 1
1 408 . 4 1 1 A 36 36 ASP CB C 36 42.200 42.677 -0.477 1
1 409 . 4 1 1 A 36 36 ASP N N 36 127.000 127.806 -0.806 1
1 410 . 4 1 1 A 37 37 TYR H H 37 9.290 8.957 0.333 1
1 417 . 4 1 1 A 37 37 TYR C C 37 178.700 178.059 0.641 1
1 418 . 4 1 1 A 37 37 TYR CA C 37 58.700 60.638 -1.938 1
1 419 . 4 1 1 A 37 37 TYR CB C 37 39.100 38.210 0.890 1
1 424 . 4 1 1 A 37 37 TYR N N 37 126.400 124.674 1.726 1
1 425 . 4 1 1 A 38 38 LYS H H 38 8.880 7.796 1.084 1
1 426 . 4 1 1 A 38 38 LYS HA H 38 4.300 4.337 -0.037 1
1 429 . 4 1 1 A 38 38 LYS CA C 38 57.700 59.073 -1.373 1
1 430 . 4 1 1 A 38 38 LYS CB C 38 31.600 32.697 -1.097 1
1 434 . 4 1 1 A 38 38 LYS N N 38 115.800 120.004 -4.204 1
1 435 . 4 1 1 A 39 39 LYS H H 39 7.330 7.922 -0.592 1
1 436 . 4 1 1 A 39 39 LYS HA H 39 4.420 3.906 0.514 1
1 443 . 4 1 1 A 39 39 LYS CA C 39 57.500 59.745 -2.245 1
1 444 . 4 1 1 A 39 39 LYS CB C 39 34.600 32.367 2.233 1
1 448 . 4 1 1 A 39 39 LYS N N 39 118.800 120.414 -1.614 1
1 449 . 4 1 1 A 40 40 GLU H H 40 8.570 7.686 0.884 1
1 450 . 4 1 1 A 40 40 GLU HA H 40 4.280 4.104 0.176 1
1 455 . 4 1 1 A 40 40 GLU CA C 40 57.900 57.828 0.072 1
1 456 . 4 1 1 A 40 40 GLU CB C 40 29.300 30.087 -0.787 1
1 458 . 4 1 1 A 40 40 GLU N N 40 117.600 116.139 1.461 1
1 459 . 4 1 1 A 41 41 GLY H H 41 7.470 7.646 -0.176 1
1 460 . 4 1 1 A 41 41 GLY HA2 H 41 4.310 4.162 0.148 1
1 461 . 4 1 1 A 41 41 GLY HA3 H 41 4.170 4.179 -0.009 1
1 462 . 4 1 1 A 41 41 GLY CA C 41 44.900 45.074 -0.174 1
1 463 . 4 1 1 A 41 41 GLY N N 41 106.300 104.786 1.514 1
1 464 . 4 1 1 A 42 42 LEU H H 42 8.290 8.598 -0.308 1
1 465 . 4 1 1 A 42 42 LEU HA H 42 4.950 4.907 0.043 1
1 475 . 4 1 1 A 42 42 LEU C C 42 173.800 175.326 -1.526 1
1 476 . 4 1 1 A 42 42 LEU CA C 42 54.500 54.537 -0.037 1
1 477 . 4 1 1 A 42 42 LEU CB C 42 43.400 42.977 0.423 1
1 481 . 4 1 1 A 42 42 LEU N N 42 121.000 124.883 -3.883 1
1 482 . 4 1 1 A 43 43 ASP H H 43 8.520 9.067 -0.547 1
1 483 . 4 1 1 A 43 43 ASP HA H 43 4.800 4.822 -0.022 1
1 486 . 4 1 1 A 43 43 ASP C C 43 175.400 177.804 -2.404 1
1 487 . 4 1 1 A 43 43 ASP CA C 43 51.600 53.674 -2.074 1
1 488 . 4 1 1 A 43 43 ASP CB C 43 42.200 41.855 0.345 1
1 489 . 4 1 1 A 43 43 ASP N N 43 124.800 127.552 -2.752 1
1 490 . 4 1 1 A 44 44 ALA H H 44 8.640 8.891 -0.251 1
1 491 . 4 1 1 A 44 44 ALA HA H 44 3.780 3.963 -0.183 1
1 495 . 4 1 1 A 44 44 ALA C C 44 178.100 179.814 -1.714 1
1 496 . 4 1 1 A 44 44 ALA CA C 44 55.400 55.532 -0.132 1
1 497 . 4 1 1 A 44 44 ALA CB C 44 18.100 18.308 -0.208 1
1 498 . 4 1 1 A 44 44 ALA N N 44 122.400 124.667 -2.267 1
1 499 . 4 1 1 A 45 45 GLU H H 45 8.240 8.188 0.052 1
1 500 . 4 1 1 A 45 45 GLU HA H 45 3.920 4.004 -0.084 1
1 505 . 4 1 1 A 45 45 GLU C C 45 179.300 179.084 0.216 1
1 506 . 4 1 1 A 45 45 GLU CA C 45 59.800 59.440 0.360 1
1 507 . 4 1 1 A 45 45 GLU CB C 45 29.200 29.535 -0.335 1
1 509 . 4 1 1 A 45 45 GLU N N 45 115.600 119.281 -3.681 1
1 510 . 4 1 1 A 46 46 THR H H 46 7.910 8.052 -0.142 1
1 511 . 4 1 1 A 46 46 THR HA H 46 3.500 3.793 -0.293 1
1 516 . 4 1 1 A 46 46 THR C C 46 174.300 176.260 -1.960 1
1 517 . 4 1 1 A 46 46 THR CA C 46 66.600 67.299 -0.699 1
1 518 . 4 1 1 A 46 46 THR CB C 46 67.700 68.207 -0.507 1
1 520 . 4 1 1 A 46 46 THR N N 46 117.700 116.641 1.059 1
1 521 . 4 1 1 A 47 47 LEU H H 47 7.710 8.289 -0.579 1
1 522 . 4 1 1 A 47 47 LEU HA H 47 3.510 4.036 -0.526 1
1 532 . 4 1 1 A 47 47 LEU C C 47 178.000 178.243 -0.243 1
1 533 . 4 1 1 A 47 47 LEU CA C 47 57.900 58.413 -0.513 1
1 534 . 4 1 1 A 47 47 LEU CB C 47 41.500 41.537 -0.037 1
1 538 . 4 1 1 A 47 47 LEU N N 47 120.400 121.236 -0.836 1
1 539 . 4 1 1 A 48 48 ASP H H 48 9.000 8.295 0.705 1
1 540 . 4 1 1 A 48 48 ASP HA H 48 4.490 4.270 0.220 1
1 543 . 4 1 1 A 48 48 ASP C C 48 179.100 178.556 0.544 1
1 544 . 4 1 1 A 48 48 ASP CA C 48 57.500 57.807 -0.307 1
1 545 . 4 1 1 A 48 48 ASP CB C 48 39.100 41.332 -2.232 1
1 546 . 4 1 1 A 48 48 ASP N N 48 116.800 118.517 -1.717 1
1 547 . 4 1 1 A 49 49 ARG H H 49 7.560 7.962 -0.402 1
1 548 . 4 1 1 A 49 49 ARG HA H 49 4.110 3.963 0.147 1
1 555 . 4 1 1 A 49 49 ARG C C 49 180.100 179.072 1.028 1
1 556 . 4 1 1 A 49 49 ARG CA C 49 60.300 59.419 0.881 1
1 557 . 4 1 1 A 49 49 ARG CB C 49 29.600 29.370 0.230 1
1 560 . 4 1 1 A 49 49 ARG N N 49 122.100 118.847 3.253 1
1 561 . 4 1 1 A 50 50 PHE H H 50 8.300 7.960 0.340 1
1 562 . 4 1 1 A 50 50 PHE HA H 50 4.550 4.284 0.266 1
1 569 . 4 1 1 A 50 50 PHE C C 50 178.400 178.142 0.258 1
1 570 . 4 1 1 A 50 50 PHE CA C 50 57.500 61.053 -3.553 1
1 571 . 4 1 1 A 50 50 PHE CB C 50 36.900 38.995 -2.095 1
1 576 . 4 1 1 A 50 50 PHE N N 50 122.100 119.403 2.697 1
1 577 . 4 1 1 A 51 51 LEU H H 51 8.460 8.426 0.034 1
1 587 . 4 1 1 A 51 51 LEU CA C 51 55.920 58.063 -2.143 1
1 588 . 4 1 1 A 51 51 LEU CB C 51 42.400 41.539 0.861 1
1 592 . 4 1 1 A 51 51 LEU N N 51 117.000 120.939 -3.939 1
1 593 . 4 1 1 A 52 52 LYS H H 52 7.660 7.854 -0.194 1
1 594 . 4 1 1 A 52 52 LYS HA H 52 4.180 4.156 0.024 1
1 603 . 4 1 1 A 52 52 LYS C C 52 178.300 177.877 0.423 1
1 604 . 4 1 1 A 52 52 LYS CA C 52 58.700 58.877 -0.177 1
1 605 . 4 1 1 A 52 52 LYS CB C 52 32.700 31.821 0.879 1
1 609 . 4 1 1 A 52 52 LYS N N 52 119.100 119.587 -0.487 1
1 610 . 4 1 1 A 53 53 THR H H 53 7.430 7.712 -0.282 1
1 611 . 4 1 1 A 53 53 THR HA H 53 4.570 4.429 0.141 1
1 616 . 4 1 1 A 53 53 THR C C 53 173.800 174.603 -0.803 1
1 617 . 4 1 1 A 53 53 THR CA C 53 62.600 63.556 -0.956 1
1 618 . 4 1 1 A 53 53 THR CB C 53 70.800 70.174 0.626 1
1 620 . 4 1 1 A 53 53 THR N N 53 107.400 110.655 -3.255 1
1 621 . 4 1 1 A 54 54 VAL H H 54 8.500 8.022 0.478 1
1 622 . 4 1 1 A 54 54 VAL HA H 54 4.540 4.606 -0.066 1
1 630 . 4 1 1 A 54 54 VAL C C 54 179.400 173.480 5.920 1
1 631 . 4 1 1 A 54 54 VAL CA C 54 59.100 58.930 0.170 1
1 632 . 4 1 1 A 54 54 VAL CB C 54 33.500 35.355 -1.855 1
1 635 . 4 1 1 A 54 54 VAL N N 54 125.200 120.042 5.158 1
1 636 . 4 1 1 A 55 55 PRO HA H 55 4.590 4.595 -0.005 1
1 643 . 4 1 1 A 55 55 PRO C C 55 179.400 177.660 1.740 1
1 644 . 4 1 1 A 55 55 PRO CA C 55 62.100 62.652 -0.552 1
1 645 . 4 1 1 A 55 55 PRO CB C 55 32.900 32.588 0.312 1
1 648 . 4 1 1 A 56 56 TRP H H 56 8.690 8.852 -0.162 1
1 649 . 4 1 1 A 56 56 TRP HA H 56 3.990 4.292 -0.302 1
1 657 . 4 1 1 A 56 56 TRP C C 56 177.500 177.730 -0.230 1
1 658 . 4 1 1 A 56 56 TRP CA C 56 61.000 60.445 0.555 1
1 659 . 4 1 1 A 56 56 TRP CB C 56 27.400 28.434 -1.034 1
1 664 . 4 1 1 A 56 56 TRP N N 56 122.500 125.204 -2.704 1
1 666 . 4 1 1 A 57 57 GLU H H 57 8.410 7.694 0.716 1
1 667 . 4 1 1 A 57 57 GLU HA H 57 3.270 3.823 -0.553 1
1 672 . 4 1 1 A 57 57 GLU C C 57 178.000 177.090 0.910 1
1 673 . 4 1 1 A 57 57 GLU CA C 57 60.200 58.590 1.610 1
1 674 . 4 1 1 A 57 57 GLU CB C 57 28.200 28.163 0.037 1
1 676 . 4 1 1 A 57 57 GLU N N 57 120.600 118.332 2.268 1
1 677 . 4 1 1 A 58 58 GLN H H 58 7.600 7.691 -0.091 1
1 678 . 4 1 1 A 58 58 GLN HA H 58 4.170 4.516 -0.346 1
1 683 . 4 1 1 A 58 58 GLN C C 58 175.500 175.713 -0.213 1
1 684 . 4 1 1 A 58 58 GLN CA C 58 56.000 54.885 1.115 1
1 685 . 4 1 1 A 58 58 GLN CB C 58 29.600 28.788 0.812 1
1 687 . 4 1 1 A 58 58 GLN N N 58 114.700 117.848 -3.148 1
1 688 . 4 1 1 A 59 59 LEU H H 59 7.440 8.179 -0.739 1
1 689 . 4 1 1 A 59 59 LEU HA H 59 4.220 4.567 -0.347 1
1 699 . 4 1 1 A 59 59 LEU C C 59 175.100 175.863 -0.763 1
1 700 . 4 1 1 A 59 59 LEU CA C 59 55.600 54.068 1.532 1
1 701 . 4 1 1 A 59 59 LEU CB C 59 44.700 43.289 1.411 1
1 705 . 4 1 1 A 59 59 LEU N N 59 119.500 121.841 -2.341 1
1 706 . 4 1 1 A 60 60 LEU H H 60 8.120 7.530 0.590 1
1 707 . 4 1 1 A 60 60 LEU HA H 60 4.410 4.929 -0.519 1
1 717 . 4 1 1 A 60 60 LEU C C 60 176.100 175.505 0.595 1
1 718 . 4 1 1 A 60 60 LEU CA C 60 55.400 53.462 1.938 1
1 719 . 4 1 1 A 60 60 LEU CB C 60 42.900 45.305 -2.405 1
1 723 . 4 1 1 A 60 60 LEU N N 60 119.300 118.223 1.077 1
1 724 . 4 1 1 A 61 61 ASN H H 61 9.120 8.590 0.530 1
1 729 . 4 1 1 A 61 61 ASN C C 61 175.600 174.753 0.847 1
1 730 . 4 1 1 A 61 61 ASN CA C 61 51.300 53.809 -2.509 1
1 731 . 4 1 1 A 61 61 ASN CB C 61 36.800 38.895 -2.095 1
1 732 . 4 1 1 A 61 61 ASN N N 61 124.900 117.826 7.074 1
1 734 . 4 1 1 A 62 62 ARG H H 62 8.140 8.954 -0.814 1
1 735 . 4 1 1 A 62 62 ARG HA H 62 3.450 4.062 -0.612 1
1 742 . 4 1 1 A 62 62 ARG C C 62 175.200 177.496 -2.296 1
1 743 . 4 1 1 A 62 62 ARG CA C 62 57.600 56.940 0.660 1
1 744 . 4 1 1 A 62 62 ARG CB C 62 30.200 31.532 -1.332 1
1 747 . 4 1 1 A 62 62 ARG N N 62 125.500 122.012 3.488 1
1 748 . 4 1 1 A 63 63 ALA H H 63 7.610 7.636 -0.026 1
1 749 . 4 1 1 A 63 63 ALA HA H 63 4.460 4.415 0.045 1
1 753 . 4 1 1 A 63 63 ALA C C 63 178.300 177.676 0.624 1
1 754 . 4 1 1 A 63 63 ALA CA C 63 51.800 51.536 0.264 1
1 755 . 4 1 1 A 63 63 ALA CB C 63 19.300 18.701 0.599 1
1 756 . 4 1 1 A 63 63 ALA N N 63 118.600 119.132 -0.532 1
1 757 . 4 1 1 A 64 64 GLY H H 64 7.150 8.644 -1.494 1
1 758 . 4 1 1 A 64 64 GLY HA2 H 64 4.410 4.106 0.304 1
1 759 . 4 1 1 A 64 64 GLY HA3 H 64 4.020 4.120 -0.100 1
1 760 . 4 1 1 A 64 64 GLY C C 64 173.500 175.047 -1.547 1
1 761 . 4 1 1 A 64 64 GLY CA C 64 45.400 44.436 0.964 1
1 762 . 4 1 1 A 64 64 GLY N N 64 105.700 107.238 -1.538 1
1 763 . 4 1 1 A 65 65 THR H H 65 8.340 8.723 -0.383 1
1 764 . 4 1 1 A 65 65 THR HA H 65 3.880 4.178 -0.298 1
1 769 . 4 1 1 A 65 65 THR C C 65 176.300 176.589 -0.289 1
1 770 . 4 1 1 A 65 65 THR CA C 65 65.500 65.273 0.227 1
1 771 . 4 1 1 A 65 65 THR CB C 65 69.000 68.335 0.665 1
1 773 . 4 1 1 A 65 65 THR N N 65 113.400 113.804 -0.404 1
1 774 . 4 1 1 A 66 66 THR H H 66 7.940 8.217 -0.277 1
1 775 . 4 1 1 A 66 66 THR HA H 66 3.820 4.102 -0.282 1
1 780 . 4 1 1 A 66 66 THR C C 66 176.100 176.738 -0.638 1
1 781 . 4 1 1 A 66 66 THR CA C 66 67.000 65.826 1.174 1
1 782 . 4 1 1 A 66 66 THR CB C 66 68.000 67.993 0.007 1
1 784 . 4 1 1 A 66 66 THR N N 66 116.200 114.103 2.097 1
1 785 . 4 1 1 A 67 67 PHE H H 67 8.720 8.020 0.700 1
1 786 . 4 1 1 A 67 67 PHE HA H 67 4.130 4.138 -0.008 1
1 793 . 4 1 1 A 67 67 PHE C C 67 176.900 177.676 -0.776 1
1 794 . 4 1 1 A 67 67 PHE CA C 67 61.500 60.964 0.536 1
1 795 . 4 1 1 A 67 67 PHE CB C 67 39.800 39.156 0.644 1
1 800 . 4 1 1 A 67 67 PHE N N 67 122.400 123.640 -1.240 1
1 801 . 4 1 1 A 68 68 ARG H H 68 7.750 7.796 -0.046 1
1 802 . 4 1 1 A 68 68 ARG HA H 68 3.790 4.283 -0.493 1
1 809 . 4 1 1 A 68 68 ARG C C 68 176.800 179.009 -2.209 1
1 810 . 4 1 1 A 68 68 ARG CA C 68 59.200 58.860 0.340 1
1 811 . 4 1 1 A 68 68 ARG CB C 68 30.200 30.081 0.119 1
1 814 . 4 1 1 A 68 68 ARG N N 68 114.400 118.169 -3.769 1
1 815 . 4 1 1 A 69 69 LYS H H 69 7.360 7.842 -0.482 1
1 816 . 4 1 1 A 69 69 LYS HA H 69 4.190 4.151 0.039 1
1 819 . 4 1 1 A 69 69 LYS C C 69 177.400 177.837 -0.437 1
1 820 . 4 1 1 A 69 69 LYS CA C 69 56.700 59.199 -2.499 1
1 821 . 4 1 1 A 69 69 LYS CB C 69 33.000 32.251 0.749 1
1 825 . 4 1 1 A 69 69 LYS N N 69 115.600 117.679 -2.079 1
1 826 . 4 1 1 A 70 70 LEU H H 70 7.440 7.696 -0.256 1
1 827 . 4 1 1 A 70 70 LEU HA H 70 4.350 4.366 -0.016 1
1 830 . 4 1 1 A 70 70 LEU CA C 70 53.800 53.337 0.463 1
1 831 . 4 1 1 A 70 70 LEU CB C 70 41.000 40.656 0.344 1
1 832 . 4 1 1 A 70 70 LEU N N 70 121.400 120.025 1.375 1
1 833 . 4 1 1 A 71 71 PRO HA H 71 4.460 4.511 -0.051 1
1 840 . 4 1 1 A 71 71 PRO C C 71 177.500 177.002 0.498 1
1 841 . 4 1 1 A 71 71 PRO CA C 71 62.800 62.249 0.551 1
1 842 . 4 1 1 A 71 71 PRO CB C 71 32.600 33.298 -0.698 1
1 845 . 4 1 1 A 72 72 GLU H H 72 9.010 8.728 0.282 1
1 846 . 4 1 1 A 72 72 GLU HA H 72 3.650 3.996 -0.346 1
1 851 . 4 1 1 A 72 72 GLU C C 72 177.600 178.660 -1.060 1
1 852 . 4 1 1 A 72 72 GLU CA C 72 60.500 59.231 1.269 1
1 853 . 4 1 1 A 72 72 GLU CB C 72 29.900 29.090 0.810 1
1 855 . 4 1 1 A 72 72 GLU N N 72 124.100 121.747 2.353 1
1 856 . 4 1 1 A 73 73 ASP H H 73 8.860 8.011 0.849 1
1 857 . 4 1 1 A 73 73 ASP HA H 73 4.290 4.413 -0.123 1
1 860 . 4 1 1 A 73 73 ASP C C 73 177.600 178.671 -1.071 1
1 861 . 4 1 1 A 73 73 ASP CA C 73 56.700 57.206 -0.506 1
1 862 . 4 1 1 A 73 73 ASP CB C 73 39.300 40.892 -1.592 1
1 863 . 4 1 1 A 73 73 ASP N N 73 116.200 120.413 -4.213 1
1 864 . 4 1 1 A 74 74 VAL H H 74 7.120 8.021 -0.901 1
1 865 . 4 1 1 A 74 74 VAL HA H 74 3.740 3.468 0.272 1
1 873 . 4 1 1 A 74 74 VAL C C 74 178.200 177.732 0.468 1
1 874 . 4 1 1 A 74 74 VAL CA C 74 65.000 66.552 -1.552 1
1 875 . 4 1 1 A 74 74 VAL CB C 74 32.100 31.346 0.754 1
1 878 . 4 1 1 A 74 74 VAL N N 74 120.400 120.184 0.216 1
1 879 . 4 1 1 A 75 75 ARG H H 75 7.700 7.975 -0.275 1
1 880 . 4 1 1 A 75 75 ARG HA H 75 3.790 3.812 -0.022 1
1 887 . 4 1 1 A 75 75 ARG C C 75 178.500 177.081 1.419 1
1 888 . 4 1 1 A 75 75 ARG CA C 75 59.600 58.810 0.790 1
1 889 . 4 1 1 A 75 75 ARG CB C 75 31.100 29.683 1.417 1
1 892 . 4 1 1 A 75 75 ARG N N 75 115.900 120.066 -4.166 1
1 893 . 4 1 1 A 76 76 SER H H 76 8.260 7.476 0.784 1
1 894 . 4 1 1 A 76 76 SER HA H 76 4.380 4.610 -0.230 1
1 897 . 4 1 1 A 76 76 SER C C 76 174.700 175.123 -0.423 1
1 898 . 4 1 1 A 76 76 SER CA C 76 60.500 59.155 1.345 1
1 899 . 4 1 1 A 76 76 SER CB C 76 63.500 64.414 -0.914 1
1 900 . 4 1 1 A 76 76 SER N N 76 111.800 113.371 -1.571 1
1 901 . 4 1 1 A 77 77 ASN H H 77 7.380 7.928 -0.548 1
1 902 . 4 1 1 A 77 77 ASN HA H 77 5.010 4.930 0.080 1
1 907 . 4 1 1 A 77 77 ASN C C 77 174.300 174.167 0.133 1
1 908 . 4 1 1 A 77 77 ASN CA C 77 52.600 52.854 -0.254 1
1 909 . 4 1 1 A 77 77 ASN CB C 77 39.800 38.643 1.157 1
1 910 . 4 1 1 A 77 77 ASN N N 77 118.000 117.693 0.307 1
1 912 . 4 1 1 A 78 78 VAL H H 78 7.300 7.553 -0.253 1
1 913 . 4 1 1 A 78 78 VAL HA H 78 3.850 4.235 -0.385 1
1 921 . 4 1 1 A 78 78 VAL C C 78 173.200 175.124 -1.924 1
1 922 . 4 1 1 A 78 78 VAL CA C 78 63.600 61.713 1.887 1
1 923 . 4 1 1 A 78 78 VAL CB C 78 32.100 32.688 -0.588 1
1 926 . 4 1 1 A 78 78 VAL N N 78 121.200 120.722 0.478 1
1 927 . 4 1 1 A 79 79 ASP H H 79 7.660 8.235 -0.575 1
1 928 . 4 1 1 A 79 79 ASP HA H 79 4.380 4.871 -0.491 1
1 931 . 4 1 1 A 79 79 ASP C C 79 173.700 175.603 -1.903 1
1 932 . 4 1 1 A 79 79 ASP CA C 79 51.500 51.694 -0.194 1
1 933 . 4 1 1 A 79 79 ASP CB C 79 41.800 43.337 -1.537 1
1 934 . 4 1 1 A 79 79 ASP N N 79 127.000 127.068 -0.068 1
1 935 . 4 1 1 A 80 80 ALA H H 80 8.110 8.617 -0.507 1
1 936 . 4 1 1 A 80 80 ALA HA H 80 2.420 3.585 -1.165 1
1 940 . 4 1 1 A 80 80 ALA C C 80 178.700 179.736 -1.036 1
1 941 . 4 1 1 A 80 80 ALA CA C 80 55.600 55.305 0.295 1
1 942 . 4 1 1 A 80 80 ALA CB C 80 18.600 18.314 0.286 1
1 943 . 4 1 1 A 80 80 ALA N N 80 119.900 122.175 -2.275 1
1 944 . 4 1 1 A 81 81 ALA H H 81 7.760 8.080 -0.320 1
1 945 . 4 1 1 A 81 81 ALA HA H 81 4.030 3.928 0.102 1
1 949 . 4 1 1 A 81 81 ALA C C 81 180.700 179.702 0.998 1
1 950 . 4 1 1 A 81 81 ALA CA C 81 54.800 55.229 -0.429 1
1 951 . 4 1 1 A 81 81 ALA CB C 81 18.300 18.585 -0.285 1
1 952 . 4 1 1 A 81 81 ALA N N 81 118.500 120.258 -1.758 1
1 953 . 4 1 1 A 82 82 SER H H 82 8.480 8.016 0.464 1
1 954 . 4 1 1 A 82 82 SER HA H 82 4.240 3.993 0.247 1
1 957 . 4 1 1 A 82 82 SER C C 82 177.200 176.742 0.458 1
1 958 . 4 1 1 A 82 82 SER CA C 82 60.300 61.294 -0.994 1
1 959 . 4 1 1 A 82 82 SER CB C 82 62.700 62.972 -0.272 1
1 960 . 4 1 1 A 82 82 SER N N 82 115.300 112.448 2.852 1
1 961 . 4 1 1 A 83 83 ALA H H 83 8.970 8.140 0.830 1
1 962 . 4 1 1 A 83 83 ALA HA H 83 3.820 3.882 -0.062 1
1 966 . 4 1 1 A 83 83 ALA C C 83 178.600 180.071 -1.471 1
1 967 . 4 1 1 A 83 83 ALA CA C 83 55.600 55.194 0.406 1
1 968 . 4 1 1 A 83 83 ALA CB C 83 19.400 17.911 1.489 1
1 969 . 4 1 1 A 83 83 ALA N N 83 124.700 122.050 2.650 1
1 970 . 4 1 1 A 84 84 ARG H H 84 7.250 8.085 -0.835 1
1 971 . 4 1 1 A 84 84 ARG HA H 84 3.740 4.095 -0.355 1
1 978 . 4 1 1 A 84 84 ARG C C 84 176.600 178.858 -2.258 1
1 979 . 4 1 1 A 84 84 ARG CA C 84 60.100 59.589 0.511 1
1 980 . 4 1 1 A 84 84 ARG CB C 84 29.900 29.799 0.101 1
1 983 . 4 1 1 A 84 84 ARG N N 84 116.500 117.493 -0.993 1
1 984 . 4 1 1 A 85 85 GLU H H 85 7.240 7.994 -0.754 1
1 985 . 4 1 1 A 85 85 GLU HA H 85 3.890 4.024 -0.134 1
1 990 . 4 1 1 A 85 85 GLU C C 85 179.800 179.486 0.314 1
1 991 . 4 1 1 A 85 85 GLU CA C 85 59.200 58.625 0.575 1
1 992 . 4 1 1 A 85 85 GLU CB C 85 29.300 29.690 -0.390 1
1 994 . 4 1 1 A 85 85 GLU N N 85 115.600 120.310 -4.710 1
1 995 . 4 1 1 A 86 86 LEU H H 86 8.620 8.670 -0.050 1
1 996 . 4 1 1 A 86 86 LEU HA H 86 4.030 3.995 0.035 1
1 1006 . 4 1 1 A 86 86 LEU C C 86 178.600 179.026 -0.426 1
1 1007 . 4 1 1 A 86 86 LEU CA C 86 58.100 57.802 0.298 1
1 1008 . 4 1 1 A 86 86 LEU CB C 86 42.200 41.799 0.401 1
1 1012 . 4 1 1 A 86 86 LEU N N 86 120.800 120.577 0.223 1
1 1013 . 4 1 1 A 87 87 MET H H 87 7.840 8.140 -0.300 1
1 1014 . 4 1 1 A 87 87 MET HA H 87 3.680 4.093 -0.413 1
1 1022 . 4 1 1 A 87 87 MET C C 87 175.600 178.342 -2.742 1
1 1023 . 4 1 1 A 87 87 MET CA C 87 60.000 58.856 1.144 1
1 1024 . 4 1 1 A 87 87 MET CB C 87 34.300 32.182 2.118 1
1 1027 . 4 1 1 A 87 87 MET N N 87 116.700 116.159 0.541 1
1 1028 . 4 1 1 A 88 88 LEU H H 88 7.490 8.160 -0.670 1
1 1029 . 4 1 1 A 88 88 LEU HA H 88 3.890 4.025 -0.135 1
1 1039 . 4 1 1 A 88 88 LEU C C 88 179.200 178.276 0.924 1
1 1040 . 4 1 1 A 88 88 LEU CA C 88 57.000 58.088 -1.088 1
1 1041 . 4 1 1 A 88 88 LEU CB C 88 41.800 41.814 -0.014 1
1 1045 . 4 1 1 A 88 88 LEU N N 88 113.400 121.802 -8.402 1
1 1046 . 4 1 1 A 89 89 ALA H H 89 7.690 7.870 -0.180 1
1 1047 . 4 1 1 A 89 89 ALA HA H 89 4.210 4.200 0.010 1
1 1051 . 4 1 1 A 89 89 ALA C C 89 179.100 177.808 1.292 1
1 1052 . 4 1 1 A 89 89 ALA CA C 89 54.100 54.759 -0.659 1
1 1053 . 4 1 1 A 89 89 ALA CB C 89 19.200 19.091 0.109 1
1 1054 . 4 1 1 A 89 89 ALA N N 89 119.100 119.843 -0.743 1
1 1055 . 4 1 1 A 90 90 GLN H H 90 8.100 8.119 -0.019 1
1 1062 . 4 1 1 A 90 90 GLN CA C 90 53.400 53.079 0.321 1
1 1063 . 4 1 1 A 90 90 GLN CB C 90 30.900 28.742 2.158 1
1 1064 . 4 1 1 A 90 90 GLN N N 90 115.100 115.038 0.062 1
1 1066 . 4 1 1 A 91 91 PRO HA H 91 4.530 4.312 0.218 1
1 1073 . 4 1 1 A 91 91 PRO C C 91 178.300 177.344 0.956 1
1 1074 . 4 1 1 A 91 91 PRO CA C 91 64.300 64.029 0.271 1
1 1075 . 4 1 1 A 91 91 PRO CB C 91 31.800 31.651 0.149 1
1 1078 . 4 1 1 A 92 92 SER H H 92 8.510 8.445 0.065 1
1 1079 . 4 1 1 A 92 92 SER HA H 92 4.310 4.334 -0.024 1
1 1082 . 4 1 1 A 92 92 SER C C 92 174.200 176.274 -2.074 1
1 1083 . 4 1 1 A 92 92 SER CA C 92 62.000 60.762 1.238 1
1 1084 . 4 1 1 A 92 92 SER CB C 92 62.500 63.159 -0.659 1
1 1085 . 4 1 1 A 92 92 SER N N 92 115.000 113.864 1.136 1
1 1086 . 4 1 1 A 93 93 MET H H 93 8.790 7.508 1.282 1
1 1087 . 4 1 1 A 93 93 MET HA H 93 4.560 4.619 -0.059 1
1 1092 . 4 1 1 A 93 93 MET C C 93 174.900 176.598 -1.698 1
1 1093 . 4 1 1 A 93 93 MET CA C 93 56.900 56.638 0.262 1
1 1094 . 4 1 1 A 93 93 MET CB C 93 35.000 33.047 1.953 1
1 1096 . 4 1 1 A 93 93 MET N N 93 118.400 117.720 0.680 1
1 1097 . 4 1 1 A 94 94 VAL H H 94 7.540 7.720 -0.180 1
1 1098 . 4 1 1 A 94 94 VAL HA H 94 4.080 4.250 -0.170 1
1 1106 . 4 1 1 A 94 94 VAL C C 94 178.000 176.169 1.831 1
1 1107 . 4 1 1 A 94 94 VAL CA C 94 63.100 63.297 -0.197 1
1 1108 . 4 1 1 A 94 94 VAL CB C 94 31.700 31.845 -0.145 1
1 1111 . 4 1 1 A 94 94 VAL N N 94 121.000 121.479 -0.479 1
1 1112 . 4 1 1 A 95 95 LYS H H 95 9.550 8.380 1.170 1
1 1113 . 4 1 1 A 95 95 LYS HA H 95 3.940 4.248 -0.308 1
1 1116 . 4 1 1 A 95 95 LYS CA C 95 58.800 56.969 1.831 1
1 1117 . 4 1 1 A 95 95 LYS CB C 95 33.500 33.378 0.122 1
1 1121 . 4 1 1 A 95 95 LYS N N 95 131.200 125.971 5.229 1
1 1122 . 4 1 1 A 96 96 ARG H H 96 8.260 8.778 -0.518 1
1 1125 . 4 1 1 A 96 96 ARG CA C 96 52.700 54.588 -1.888 1
1 1126 . 4 1 1 A 96 96 ARG CB C 96 34.400 32.643 1.757 1
1 1127 . 4 1 1 A 96 96 ARG N N 96 117.100 121.289 -4.189 1
1 1134 . 4 1 1 A 97 97 PRO C C 97 176.600 175.149 1.451 1
1 1135 . 4 1 1 A 97 97 PRO CA C 97 62.400 62.431 -0.031 1
1 1136 . 4 1 1 A 97 97 PRO CB C 97 34.700 32.551 2.149 1
1 1139 . 4 1 1 A 98 98 VAL H H 98 7.540 8.188 -0.648 1
1 1140 . 4 1 1 A 98 98 VAL HA H 98 4.460 4.591 -0.131 1
1 1148 . 4 1 1 A 98 98 VAL C C 98 173.500 173.741 -0.241 1
1 1149 . 4 1 1 A 98 98 VAL CA C 98 64.000 60.710 3.290 1
1 1150 . 4 1 1 A 98 98 VAL CB C 98 33.600 33.441 0.159 1
1 1153 . 4 1 1 A 98 98 VAL N N 98 117.800 121.576 -3.776 1
1 1154 . 4 1 1 A 99 99 LEU H H 99 9.030 9.022 0.008 1
1 1155 . 4 1 1 A 99 99 LEU HA H 99 5.410 5.335 0.075 1
1 1165 . 4 1 1 A 99 99 LEU C C 99 173.800 174.618 -0.818 1
1 1166 . 4 1 1 A 99 99 LEU CA C 99 54.300 53.211 1.089 1
1 1167 . 4 1 1 A 99 99 LEU CB C 99 45.800 46.041 -0.241 1
1 1171 . 4 1 1 A 99 99 LEU N N 99 131.400 129.609 1.791 1
1 1172 . 4 1 1 A 100 100 GLU H H 100 9.390 9.317 0.073 1
1 1173 . 4 1 1 A 100 100 GLU HA H 100 5.050 5.433 -0.383 1
1 1178 . 4 1 1 A 100 100 GLU C C 100 174.200 175.100 -0.900 1
1 1179 . 4 1 1 A 100 100 GLU CA C 100 55.300 54.925 0.375 1
1 1180 . 4 1 1 A 100 100 GLU CB C 100 35.600 32.506 3.094 1
1 1182 . 4 1 1 A 100 100 GLU N N 100 125.800 128.136 -2.336 1
1 1183 . 4 1 1 A 101 101 ARG H H 101 7.610 9.206 -1.596 1
1 1184 . 4 1 1 A 101 101 ARG C C 101 175.900 175.079 0.821 1
1 1185 . 4 1 1 A 101 101 ARG CA C 101 56.700 55.144 1.556 1
1 1186 . 4 1 1 A 101 101 ARG CB C 101 32.500 32.667 -0.167 1
1 1189 . 4 1 1 A 101 101 ARG N N 101 125.100 127.081 -1.981 1
1 1190 . 4 1 1 A 102 102 ASP H H 102 10.080 9.544 0.536 1
1 1191 . 4 1 1 A 102 102 ASP HA H 102 4.450 4.417 0.033 1
1 1194 . 4 1 1 A 102 102 ASP C C 102 175.700 176.213 -0.513 1
1 1195 . 4 1 1 A 102 102 ASP CA C 102 55.300 55.394 -0.094 1
1 1196 . 4 1 1 A 102 102 ASP CB C 102 40.500 39.366 1.134 1
1 1197 . 4 1 1 A 102 102 ASP N N 102 132.000 128.066 3.934 1
1 1198 . 4 1 1 A 103 103 GLY H H 103 8.870 8.335 0.535 1
1 1199 . 4 1 1 A 103 103 GLY HA2 H 103 4.120 3.953 0.167 1
1 1200 . 4 1 1 A 103 103 GLY HA3 H 103 3.830 3.964 -0.134 1
1 1201 . 4 1 1 A 103 103 GLY C C 103 174.000 174.245 -0.245 1
1 1202 . 4 1 1 A 103 103 GLY CA C 103 45.600 45.161 0.439 1
1 1203 . 4 1 1 A 103 103 GLY N N 103 102.900 104.853 -1.953 1
1 1204 . 4 1 1 A 104 104 LYS H H 104 8.130 7.751 0.379 1
1 1205 . 4 1 1 A 104 104 LYS HA H 104 4.650 4.349 0.301 1
1 1208 . 4 1 1 A 104 104 LYS C C 104 176.500 175.474 1.026 1
1 1209 . 4 1 1 A 104 104 LYS CA C 104 55.500 56.249 -0.749 1
1 1210 . 4 1 1 A 104 104 LYS CB C 104 32.600 33.147 -0.547 1
1 1214 . 4 1 1 A 104 104 LYS N N 104 122.400 122.362 0.038 1
1 1215 . 4 1 1 A 105 105 LEU H H 105 8.920 8.730 0.190 1
1 1216 . 4 1 1 A 105 105 LEU HA H 105 5.420 5.091 0.329 1
1 1226 . 4 1 1 A 105 105 LEU C C 105 177.200 174.511 2.689 1
1 1227 . 4 1 1 A 105 105 LEU CA C 105 54.300 53.797 0.503 1
1 1228 . 4 1 1 A 105 105 LEU CB C 105 45.400 44.340 1.060 1
1 1232 . 4 1 1 A 105 105 LEU N N 105 129.200 128.627 0.573 1
1 1233 . 4 1 1 A 106 106 MET H H 106 8.860 9.125 -0.265 1
1 1234 . 4 1 1 A 106 106 MET HA H 106 4.580 5.107 -0.527 1
1 1239 . 4 1 1 A 106 106 MET C C 106 174.500 174.737 -0.237 1
1 1240 . 4 1 1 A 106 106 MET CA C 106 55.300 54.535 0.765 1
1 1241 . 4 1 1 A 106 106 MET CB C 106 36.500 36.363 0.137 1
1 1243 . 4 1 1 A 106 106 MET N N 106 121.500 126.471 -4.971 1
1 1244 . 4 1 1 A 107 107 VAL H H 107 9.180 8.509 0.671 1
1 1245 . 4 1 1 A 107 107 VAL HA H 107 4.690 4.309 0.381 1
1 1253 . 4 1 1 A 107 107 VAL C C 107 176.200 175.819 0.381 1
1 1254 . 4 1 1 A 107 107 VAL CA C 107 61.400 60.875 0.525 1
1 1255 . 4 1 1 A 107 107 VAL CB C 107 33.400 33.135 0.265 1
1 1258 . 4 1 1 A 107 107 VAL N N 107 129.500 122.003 7.497 1
1 1259 . 4 1 1 A 108 108 GLY H H 108 8.730 8.396 0.334 1
1 1260 . 4 1 1 A 108 108 GLY HA2 H 108 4.430 3.729 0.701 1
1 1261 . 4 1 1 A 108 108 GLY HA3 H 108 3.850 3.791 0.059 1
1 1262 . 4 1 1 A 108 108 GLY CA C 108 43.800 45.075 -1.275 1
1 1263 . 4 1 1 A 108 108 GLY N N 108 113.600 112.810 0.790 1
1 1271 . 4 1 1 A 109 109 PHE C C 109 172.700 175.180 -2.480 1
1 1272 . 4 1 1 A 109 109 PHE CA C 109 58.900 56.410 2.490 1
1 1273 . 4 1 1 A 109 109 PHE CB C 109 42.100 42.987 -0.887 1
1 1279 . 4 1 1 A 110 110 LYS H H 110 6.510 8.594 -2.084 1
1 1282 . 4 1 1 A 110 110 LYS CA C 110 53.500 55.177 -1.677 1
1 1283 . 4 1 1 A 110 110 LYS CB C 110 34.800 31.964 2.836 1
1 1284 . 4 1 1 A 110 110 LYS N N 110 126.600 121.381 5.219 1
1 1285 . 4 1 1 A 111 111 PRO HA H 111 3.360 4.131 -0.771 1
1 1292 . 4 1 1 A 111 111 PRO C C 111 177.100 178.570 -1.470 1
1 1293 . 4 1 1 A 111 111 PRO CA C 111 66.600 65.709 0.891 1
1 1294 . 4 1 1 A 111 111 PRO CB C 111 31.700 31.745 -0.045 1
1 1297 . 4 1 1 A 112 112 ALA H H 112 8.450 8.310 0.140 1
1 1298 . 4 1 1 A 112 112 ALA HA H 112 4.140 4.079 0.061 1
1 1302 . 4 1 1 A 112 112 ALA C C 112 180.300 180.697 -0.397 1
1 1303 . 4 1 1 A 112 112 ALA CA C 112 54.900 55.392 -0.492 1
1 1304 . 4 1 1 A 112 112 ALA CB C 112 18.800 18.494 0.306 1
1 1305 . 4 1 1 A 112 112 ALA N N 112 116.200 118.609 -2.409 1
1 1306 . 4 1 1 A 113 113 GLN H H 113 6.880 7.758 -0.878 1
1 1307 . 4 1 1 A 113 113 GLN HA H 113 4.130 4.030 0.100 1
1 1314 . 4 1 1 A 113 113 GLN C C 113 178.400 178.228 0.172 1
1 1315 . 4 1 1 A 113 113 GLN CA C 113 60.100 59.049 1.051 1
1 1316 . 4 1 1 A 113 113 GLN CB C 113 29.100 28.663 0.437 1
1 1318 . 4 1 1 A 113 113 GLN N N 113 118.200 117.499 0.701 1
1 1320 . 4 1 1 A 114 114 TYR H H 114 7.600 8.230 -0.630 1
1 1321 . 4 1 1 A 114 114 TYR HA H 114 3.800 4.135 -0.335 1
1 1328 . 4 1 1 A 114 114 TYR C C 114 177.100 178.037 -0.937 1
1 1329 . 4 1 1 A 114 114 TYR CA C 114 61.700 61.452 0.248 1
1 1330 . 4 1 1 A 114 114 TYR CB C 114 33.200 38.460 -5.260 1
1 1335 . 4 1 1 A 114 114 TYR N N 114 124.900 120.947 3.953 1
1 1336 . 4 1 1 A 115 115 GLU H H 115 8.610 8.469 0.141 1
1 1337 . 4 1 1 A 115 115 GLU HA H 115 4.160 4.296 -0.136 1
1 1342 . 4 1 1 A 115 115 GLU C C 115 178.800 179.295 -0.495 1
1 1343 . 4 1 1 A 115 115 GLU CA C 115 60.100 59.718 0.382 1
1 1344 . 4 1 1 A 115 115 GLU CB C 115 30.000 30.028 -0.028 1
1 1346 . 4 1 1 A 115 115 GLU N N 115 119.300 118.627 0.673 1
1 1347 . 4 1 1 A 116 116 ALA H H 116 7.390 8.080 -0.690 1
1 1348 . 4 1 1 A 116 116 ALA HA H 116 4.210 4.159 0.051 1
1 1352 . 4 1 1 A 116 116 ALA C C 116 179.700 179.576 0.124 1
1 1353 . 4 1 1 A 116 116 ALA CA C 116 54.600 54.901 -0.301 1
1 1354 . 4 1 1 A 116 116 ALA CB C 116 18.200 18.198 0.002 1
1 1355 . 4 1 1 A 116 116 ALA N N 116 118.200 122.405 -4.205 1
1 1356 . 4 1 1 A 117 117 TYR H H 117 7.780 7.978 -0.198 1
1 1357 . 4 1 1 A 117 117 TYR HA H 117 3.890 4.207 -0.317 1
1 1364 . 4 1 1 A 117 117 TYR C C 117 177.300 177.778 -0.478 1
1 1365 . 4 1 1 A 117 117 TYR CA C 117 61.100 61.448 -0.348 1
1 1366 . 4 1 1 A 117 117 TYR CB C 117 39.200 38.502 0.698 1
1 1371 . 4 1 1 A 117 117 TYR N N 117 120.200 119.963 0.237 1
1 1372 . 4 1 1 A 118 118 PHE H H 118 7.960 7.975 -0.015 1
1 1379 . 4 1 1 A 118 118 PHE C C 118 174.900 174.709 0.191 1
1 1380 . 4 1 1 A 118 118 PHE CA C 118 57.850 57.604 0.246 1
1 1381 . 4 1 1 A 118 118 PHE CB C 118 39.100 38.919 0.181 1
1 1386 . 4 1 1 A 118 118 PHE N N 118 113.100 119.533 -6.433 1
1 1387 . 4 1 1 A 119 119 LYS H H 119 7.670 7.260 0.410 1
1 1388 . 4 1 1 A 119 119 LYS HA H 119 4.210 4.403 -0.193 1
1 1397 . 4 1 1 A 119 119 LYS CA C 119 57.300 55.914 1.386 1
1 1398 . 4 1 1 A 119 119 LYS CB C 119 31.200 33.295 -2.095 1
1 1402 . 4 1 1 A 119 119 LYS N N 119 120.200 117.711 2.489 1
1 1 . 5 1 1 A 2 2 PRO HA H 2 4.500 4.597 -0.097 1
1 8 . 5 1 1 A 2 2 PRO C C 2 177.500 176.834 0.666 1
1 9 . 5 1 1 A 2 2 PRO CA C 2 63.500 64.294 -0.794 1
1 10 . 5 1 1 A 2 2 PRO CB C 2 32.200 32.314 -0.114 1
1 13 . 5 1 1 A 3 3 GLY H H 3 8.113 7.369 0.744 1
1 14 . 5 1 1 A 3 3 GLY HA2 H 3 4.060 4.146 -0.086 1
1 15 . 5 1 1 A 3 3 GLY HA3 H 3 4.030 4.165 -0.135 1
1 16 . 5 1 1 A 3 3 GLY CA C 3 45.300 45.350 -0.050 1
1 17 . 5 1 1 A 3 3 GLY N N 3 110.500 107.605 2.895 1
1 18 . 5 1 1 A 4 4 SER H H 4 8.280 8.805 -0.525 1
1 19 . 5 1 1 A 4 4 SER HA H 4 4.520 4.279 0.241 1
1 22 . 5 1 1 A 4 4 SER C C 4 178.100 174.835 3.265 1
1 23 . 5 1 1 A 4 4 SER CA C 4 58.600 61.403 -2.803 1
1 24 . 5 1 1 A 4 4 SER CB C 4 63.800 63.346 0.454 1
1 25 . 5 1 1 A 4 4 SER N N 4 115.900 118.440 -2.540 1
1 26 . 5 1 1 A 5 5 MET H H 5 8.680 7.987 0.693 1
1 27 . 5 1 1 A 5 5 MET HA H 5 4.700 4.598 0.102 1
1 32 . 5 1 1 A 5 5 MET C C 5 174.800 175.909 -1.109 1
1 33 . 5 1 1 A 5 5 MET CA C 5 54.900 55.061 -0.161 1
1 34 . 5 1 1 A 5 5 MET CB C 5 32.500 33.919 -1.419 1
1 36 . 5 1 1 A 5 5 MET N N 5 121.500 119.435 2.065 1
1 37 . 5 1 1 A 6 6 SER H H 6 8.220 8.613 -0.393 1
1 38 . 5 1 1 A 6 6 SER HA H 6 4.580 4.611 -0.031 1
1 41 . 5 1 1 A 6 6 SER C C 6 174.200 174.060 0.140 1
1 42 . 5 1 1 A 6 6 SER CA C 6 59.100 57.486 1.614 1
1 43 . 5 1 1 A 6 6 SER CB C 6 63.800 63.991 -0.191 1
1 44 . 5 1 1 A 6 6 SER N N 6 117.000 115.106 1.894 1
1 45 . 5 1 1 A 7 7 VAL H H 7 8.750 8.574 0.176 1
1 46 . 5 1 1 A 7 7 VAL HA H 7 4.840 4.380 0.460 1
1 54 . 5 1 1 A 7 7 VAL C C 7 175.800 174.885 0.915 1
1 55 . 5 1 1 A 7 7 VAL CA C 7 61.800 61.210 0.590 1
1 56 . 5 1 1 A 7 7 VAL CB C 7 33.800 32.954 0.846 1
1 59 . 5 1 1 A 7 7 VAL N N 7 124.100 124.173 -0.073 1
1 60 . 5 1 1 A 8 8 THR H H 8 8.880 8.198 0.682 1
1 61 . 5 1 1 A 8 8 THR HA H 8 5.360 4.795 0.565 1
1 66 . 5 1 1 A 8 8 THR C C 8 172.500 172.865 -0.365 1
1 67 . 5 1 1 A 8 8 THR CA C 8 61.700 61.816 -0.116 1
1 68 . 5 1 1 A 8 8 THR CB C 8 70.600 70.608 -0.008 1
1 70 . 5 1 1 A 8 8 THR N N 8 124.500 122.068 2.432 1
1 71 . 5 1 1 A 9 9 ILE H H 9 9.170 9.338 -0.168 1
1 72 . 5 1 1 A 9 9 ILE HA H 9 5.610 5.639 -0.029 1
1 82 . 5 1 1 A 9 9 ILE C C 9 172.500 173.490 -0.990 1
1 83 . 5 1 1 A 9 9 ILE CA C 9 58.300 58.795 -0.495 1
1 84 . 5 1 1 A 9 9 ILE CB C 9 42.400 41.673 0.727 1
1 88 . 5 1 1 A 9 9 ILE N N 9 123.900 128.114 -4.214 1
1 89 . 5 1 1 A 10 10 TYR H H 10 9.740 9.108 0.632 1
1 90 . 5 1 1 A 10 10 TYR HA H 10 5.410 5.583 -0.173 1
1 95 . 5 1 1 A 10 10 TYR C C 10 177.500 176.147 1.353 1
1 96 . 5 1 1 A 10 10 TYR CA C 10 56.500 56.167 0.333 1
1 97 . 5 1 1 A 10 10 TYR CB C 10 40.300 41.368 -1.068 1
1 100 . 5 1 1 A 10 10 TYR N N 10 125.300 127.901 -2.601 1
1 101 . 5 1 1 A 11 11 GLY H H 11 7.880 8.568 -0.688 1
1 102 . 5 1 1 A 11 11 GLY HA2 H 11 4.700 4.463 0.237 1
1 103 . 5 1 1 A 11 11 GLY HA3 H 11 4.700 4.602 0.098 1
1 104 . 5 1 1 A 11 11 GLY C C 11 170.000 172.391 -2.391 1
1 105 . 5 1 1 A 11 11 GLY CA C 11 46.700 46.291 0.409 1
1 106 . 5 1 1 A 11 11 GLY N N 11 108.600 109.132 -0.532 1
1 107 . 5 1 1 A 12 12 ILE H H 12 6.340 8.812 -2.472 1
1 108 . 5 1 1 A 12 12 ILE HA H 12 5.330 5.468 -0.138 1
1 118 . 5 1 1 A 12 12 ILE C C 12 175.100 176.193 -1.093 1
1 119 . 5 1 1 A 12 12 ILE CA C 12 59.300 58.974 0.326 1
1 120 . 5 1 1 A 12 12 ILE CB C 12 41.000 42.153 -1.153 1
1 124 . 5 1 1 A 12 12 ILE N N 12 113.300 117.701 -4.401 1
1 125 . 5 1 1 A 13 13 LYS H H 13 9.450 9.199 0.251 1
1 126 . 5 1 1 A 13 13 LYS HA H 13 4.090 4.333 -0.243 1
1 129 . 5 1 1 A 13 13 LYS C C 13 177.800 176.844 0.956 1
1 130 . 5 1 1 A 13 13 LYS CA C 13 59.200 58.424 0.776 1
1 131 . 5 1 1 A 13 13 LYS CB C 13 33.600 33.333 0.267 1
1 133 . 5 1 1 A 13 13 LYS N N 13 120.900 119.631 1.269 1
1 134 . 5 1 1 A 14 14 ASN H H 14 8.700 7.839 0.861 1
1 135 . 5 1 1 A 14 14 ASN HA H 14 4.690 4.837 -0.147 1
1 140 . 5 1 1 A 14 14 ASN C C 14 173.100 173.812 -0.712 1
1 141 . 5 1 1 A 14 14 ASN CA C 14 52.700 52.423 0.277 1
1 142 . 5 1 1 A 14 14 ASN CB C 14 36.300 37.011 -0.711 1
1 143 . 5 1 1 A 14 14 ASN N N 14 116.600 116.225 0.375 1
1 145 . 5 1 1 A 15 15 CYS H H 15 7.440 7.977 -0.537 1
1 146 . 5 1 1 A 15 15 CYS HA H 15 4.510 4.956 -0.446 1
1 149 . 5 1 1 A 15 15 CYS CA C 15 59.100 57.948 1.152 1
1 150 . 5 1 1 A 15 15 CYS CB C 15 30.800 31.051 -0.251 1
1 151 . 5 1 1 A 15 15 CYS N N 15 124.400 122.152 2.248 1
1 152 . 5 1 1 A 16 16 ASP HA H 16 4.460 4.549 -0.089 1
1 155 . 5 1 1 A 16 16 ASP C C 16 178.000 178.323 -0.323 1
1 156 . 5 1 1 A 16 16 ASP CA C 16 57.500 55.909 1.591 1
1 157 . 5 1 1 A 16 16 ASP CB C 16 41.400 41.312 0.088 1
1 158 . 5 1 1 A 17 17 THR H H 17 9.210 7.886 1.324 1
1 159 . 5 1 1 A 17 17 THR HA H 17 4.000 3.848 0.152 1
1 164 . 5 1 1 A 17 17 THR C C 17 176.000 176.903 -0.903 1
1 165 . 5 1 1 A 17 17 THR CA C 17 67.400 67.185 0.215 1
1 166 . 5 1 1 A 17 17 THR CB C 17 68.200 68.578 -0.378 1
1 168 . 5 1 1 A 17 17 THR N N 17 122.200 117.031 5.169 1
1 169 . 5 1 1 A 18 18 MET H H 18 8.940 8.133 0.807 1
1 170 . 5 1 1 A 18 18 MET HA H 18 3.990 4.136 -0.146 1
1 176 . 5 1 1 A 18 18 MET C C 18 178.300 178.714 -0.414 1
1 177 . 5 1 1 A 18 18 MET CA C 18 56.000 58.359 -2.359 1
1 178 . 5 1 1 A 18 18 MET CB C 18 31.400 31.641 -0.241 1
1 181 . 5 1 1 A 18 18 MET N N 18 125.300 118.322 6.978 1
1 182 . 5 1 1 A 19 19 LYS H H 19 8.080 7.967 0.113 1
1 183 . 5 1 1 A 19 19 LYS HA H 19 3.800 3.958 -0.158 1
1 186 . 5 1 1 A 19 19 LYS CA C 19 60.000 59.401 0.599 1
1 187 . 5 1 1 A 19 19 LYS CB C 19 32.500 32.074 0.426 1
1 191 . 5 1 1 A 19 19 LYS N N 19 117.900 121.272 -3.372 1
1 192 . 5 1 1 A 20 20 LYS H H 20 7.510 7.855 -0.345 1
1 193 . 5 1 1 A 20 20 LYS HA H 20 3.790 4.082 -0.292 1
1 198 . 5 1 1 A 20 20 LYS C C 20 178.500 178.905 -0.405 1
1 199 . 5 1 1 A 20 20 LYS CA C 20 59.500 59.227 0.273 1
1 200 . 5 1 1 A 20 20 LYS CB C 20 32.800 31.862 0.938 1
1 204 . 5 1 1 A 20 20 LYS N N 20 117.500 118.898 -1.398 1
1 205 . 5 1 1 A 21 21 ALA H H 21 7.730 8.216 -0.486 1
1 206 . 5 1 1 A 21 21 ALA HA H 21 2.540 3.962 -1.422 1
1 210 . 5 1 1 A 21 21 ALA C C 21 178.700 179.597 -0.897 1
1 211 . 5 1 1 A 21 21 ALA CA C 21 54.400 55.200 -0.800 1
1 212 . 5 1 1 A 21 21 ALA CB C 21 19.000 18.042 0.958 1
1 213 . 5 1 1 A 21 21 ALA N N 21 123.600 121.660 1.940 1
1 214 . 5 1 1 A 22 22 ARG H H 22 8.110 7.963 0.147 1
1 215 . 5 1 1 A 22 22 ARG HA H 22 3.490 3.998 -0.508 1
1 222 . 5 1 1 A 22 22 ARG C C 22 178.200 178.488 -0.288 1
1 223 . 5 1 1 A 22 22 ARG CA C 22 60.500 59.533 0.967 1
1 224 . 5 1 1 A 22 22 ARG CB C 22 30.700 30.125 0.575 1
1 227 . 5 1 1 A 22 22 ARG N N 22 116.100 118.299 -2.199 1
1 228 . 5 1 1 A 23 23 ILE H H 23 7.860 8.126 -0.266 1
1 229 . 5 1 1 A 23 23 ILE HA H 23 3.710 3.694 0.016 1
1 239 . 5 1 1 A 23 23 ILE C C 23 177.200 178.630 -1.430 1
1 240 . 5 1 1 A 23 23 ILE CA C 23 65.000 65.401 -0.401 1
1 241 . 5 1 1 A 23 23 ILE CB C 23 38.000 37.811 0.189 1
1 245 . 5 1 1 A 23 23 ILE N N 23 119.400 119.312 0.088 1
1 246 . 5 1 1 A 24 24 TRP H H 24 7.880 8.215 -0.335 1
1 247 . 5 1 1 A 24 24 TRP HA H 24 4.270 4.404 -0.134 1
1 256 . 5 1 1 A 24 24 TRP C C 24 176.100 178.296 -2.196 1
1 257 . 5 1 1 A 24 24 TRP CA C 24 63.100 61.162 1.938 1
1 258 . 5 1 1 A 24 24 TRP CB C 24 30.200 29.848 0.352 1
1 264 . 5 1 1 A 24 24 TRP N N 24 121.000 122.144 -1.144 1
1 266 . 5 1 1 A 25 25 LEU H H 25 8.690 8.842 -0.152 1
1 267 . 5 1 1 A 25 25 LEU HA H 25 4.000 4.148 -0.148 1
1 277 . 5 1 1 A 25 25 LEU C C 25 178.600 179.412 -0.812 1
1 278 . 5 1 1 A 25 25 LEU CA C 25 59.700 58.081 1.619 1
1 279 . 5 1 1 A 25 25 LEU CB C 25 41.200 41.285 -0.085 1
1 283 . 5 1 1 A 25 25 LEU N N 25 121.800 119.778 2.022 1
1 284 . 5 1 1 A 26 26 GLU H H 26 8.580 8.529 0.051 1
1 285 . 5 1 1 A 26 26 GLU HA H 26 4.200 4.149 0.051 1
1 290 . 5 1 1 A 26 26 GLU C C 26 181.200 178.847 2.353 1
1 291 . 5 1 1 A 26 26 GLU CA C 26 59.500 59.789 -0.289 1
1 292 . 5 1 1 A 26 26 GLU CB C 26 28.800 29.417 -0.617 1
1 294 . 5 1 1 A 26 26 GLU N N 26 120.600 118.163 2.437 1
1 295 . 5 1 1 A 27 27 ASP H H 27 9.360 8.380 0.980 1
1 296 . 5 1 1 A 27 27 ASP HA H 27 4.270 4.237 0.033 1
1 299 . 5 1 1 A 27 27 ASP C C 27 177.400 178.516 -1.116 1
1 300 . 5 1 1 A 27 27 ASP CA C 27 56.400 56.979 -0.579 1
1 301 . 5 1 1 A 27 27 ASP CB C 27 40.000 41.607 -1.607 1
1 302 . 5 1 1 A 27 27 ASP N N 27 121.800 120.431 1.369 1
1 303 . 5 1 1 A 28 28 HIS H H 28 7.340 7.930 -0.590 1
1 304 . 5 1 1 A 28 28 HIS HA H 28 4.250 4.201 0.049 1
1 309 . 5 1 1 A 28 28 HIS C C 28 173.600 175.262 -1.662 1
1 310 . 5 1 1 A 28 28 HIS CA C 28 56.700 58.072 -1.372 1
1 311 . 5 1 1 A 28 28 HIS CB C 28 27.500 30.173 -2.673 1
1 314 . 5 1 1 A 28 28 HIS N N 28 113.400 118.737 -5.337 1
1 315 . 5 1 1 A 29 29 GLY H H 29 7.790 8.249 -0.459 1
1 316 . 5 1 1 A 29 29 GLY HA2 H 29 3.870 3.820 0.050 1
1 317 . 5 1 1 A 29 29 GLY HA3 H 29 3.870 3.856 0.014 1
1 318 . 5 1 1 A 29 29 GLY C C 29 174.200 174.105 0.095 1
1 319 . 5 1 1 A 29 29 GLY CA C 29 46.900 45.487 1.413 1
1 320 . 5 1 1 A 29 29 GLY N N 29 109.400 107.020 2.380 1
1 321 . 5 1 1 A 30 30 ILE H H 30 8.120 7.913 0.207 1
1 322 . 5 1 1 A 30 30 ILE HA H 30 4.040 4.656 -0.616 1
1 332 . 5 1 1 A 30 30 ILE C C 30 175.500 174.779 0.721 1
1 333 . 5 1 1 A 30 30 ILE CA C 30 60.000 59.964 0.036 1
1 334 . 5 1 1 A 30 30 ILE CB C 30 38.100 40.053 -1.953 1
1 338 . 5 1 1 A 30 30 ILE N N 30 121.800 121.251 0.549 1
1 339 . 5 1 1 A 31 31 ASP H H 31 8.430 8.928 -0.498 1
1 340 . 5 1 1 A 31 31 ASP HA H 31 4.650 5.684 -1.034 1
1 343 . 5 1 1 A 31 31 ASP C C 31 175.800 175.014 0.786 1
1 344 . 5 1 1 A 31 31 ASP CA C 31 54.600 53.011 1.589 1
1 345 . 5 1 1 A 31 31 ASP CB C 31 41.600 43.541 -1.941 1
1 346 . 5 1 1 A 31 31 ASP N N 31 128.500 124.417 4.083 1
1 347 . 5 1 1 A 32 32 TYR H H 32 7.920 9.403 -1.483 1
1 348 . 5 1 1 A 32 32 TYR HA H 32 5.500 5.198 0.302 1
1 355 . 5 1 1 A 32 32 TYR C C 32 173.800 175.347 -1.547 1
1 356 . 5 1 1 A 32 32 TYR CA C 32 56.100 56.552 -0.452 1
1 357 . 5 1 1 A 32 32 TYR CB C 32 41.700 42.030 -0.330 1
1 362 . 5 1 1 A 32 32 TYR N N 32 117.500 122.539 -5.039 1
1 363 . 5 1 1 A 33 33 THR H H 33 8.900 8.721 0.179 1
1 364 . 5 1 1 A 33 33 THR HA H 33 4.470 4.577 -0.107 1
1 369 . 5 1 1 A 33 33 THR C C 33 172.900 173.602 -0.702 1
1 370 . 5 1 1 A 33 33 THR CA C 33 61.800 62.045 -0.245 1
1 371 . 5 1 1 A 33 33 THR CB C 33 70.800 68.751 2.049 1
1 373 . 5 1 1 A 33 33 THR N N 33 117.100 117.652 -0.552 1
1 374 . 5 1 1 A 34 34 PHE H H 34 9.280 9.022 0.258 1
1 375 . 5 1 1 A 34 34 PHE HA H 34 5.520 4.709 0.811 1
1 383 . 5 1 1 A 34 34 PHE CA C 34 53.900 57.958 -4.058 1
1 384 . 5 1 1 A 34 34 PHE CB C 34 39.900 39.417 0.483 1
1 390 . 5 1 1 A 34 34 PHE N N 34 128.200 128.458 -0.258 1
1 391 . 5 1 1 A 35 35 HIS H H 35 9.210 8.797 0.413 1
1 392 . 5 1 1 A 35 35 HIS HA H 35 4.240 4.584 -0.344 1
1 397 . 5 1 1 A 35 35 HIS CA C 35 54.900 53.714 1.186 1
1 398 . 5 1 1 A 35 35 HIS CB C 35 30.700 31.355 -0.655 1
1 401 . 5 1 1 A 35 35 HIS N N 35 133.900 125.165 8.735 1
1 402 . 5 1 1 A 36 36 ASP H H 36 7.930 8.104 -0.174 1
1 403 . 5 1 1 A 36 36 ASP HA H 36 4.470 4.789 -0.319 1
1 406 . 5 1 1 A 36 36 ASP C C 36 178.500 176.832 1.668 1
1 407 . 5 1 1 A 36 36 ASP CA C 36 50.900 54.063 -3.163 1
1 408 . 5 1 1 A 36 36 ASP CB C 36 42.200 42.716 -0.516 1
1 409 . 5 1 1 A 36 36 ASP N N 36 127.000 123.981 3.019 1
1 410 . 5 1 1 A 37 37 TYR H H 37 9.290 9.140 0.150 1
1 417 . 5 1 1 A 37 37 TYR C C 37 178.700 177.565 1.135 1
1 418 . 5 1 1 A 37 37 TYR CA C 37 58.700 61.011 -2.311 1
1 419 . 5 1 1 A 37 37 TYR CB C 37 39.100 37.962 1.138 1
1 424 . 5 1 1 A 37 37 TYR N N 37 126.400 124.606 1.794 1
1 425 . 5 1 1 A 38 38 LYS H H 38 8.880 7.482 1.398 1
1 426 . 5 1 1 A 38 38 LYS HA H 38 4.300 3.796 0.504 1
1 429 . 5 1 1 A 38 38 LYS CA C 38 57.700 58.688 -0.988 1
1 430 . 5 1 1 A 38 38 LYS CB C 38 31.600 32.061 -0.461 1
1 434 . 5 1 1 A 38 38 LYS N N 38 115.800 122.216 -6.416 1
1 435 . 5 1 1 A 39 39 LYS H H 39 7.330 7.895 -0.565 1
1 436 . 5 1 1 A 39 39 LYS HA H 39 4.420 3.823 0.597 1
1 443 . 5 1 1 A 39 39 LYS CA C 39 57.500 59.629 -2.129 1
1 444 . 5 1 1 A 39 39 LYS CB C 39 34.600 32.204 2.396 1
1 448 . 5 1 1 A 39 39 LYS N N 39 118.800 118.907 -0.107 1
1 449 . 5 1 1 A 40 40 GLU H H 40 8.570 8.070 0.500 1
1 450 . 5 1 1 A 40 40 GLU HA H 40 4.280 4.063 0.217 1
1 455 . 5 1 1 A 40 40 GLU CA C 40 57.900 56.200 1.700 1
1 456 . 5 1 1 A 40 40 GLU CB C 40 29.300 29.991 -0.691 1
1 458 . 5 1 1 A 40 40 GLU N N 40 117.600 115.984 1.616 1
1 459 . 5 1 1 A 41 41 GLY H H 41 7.470 7.849 -0.379 1
1 460 . 5 1 1 A 41 41 GLY HA2 H 41 4.310 3.875 0.435 1
1 461 . 5 1 1 A 41 41 GLY HA3 H 41 4.170 3.875 0.295 1
1 462 . 5 1 1 A 41 41 GLY CA C 41 44.900 46.353 -1.453 1
1 463 . 5 1 1 A 41 41 GLY N N 41 106.300 108.676 -2.376 1
1 464 . 5 1 1 A 42 42 LEU H H 42 8.290 7.886 0.404 1
1 465 . 5 1 1 A 42 42 LEU HA H 42 4.950 4.905 0.045 1
1 475 . 5 1 1 A 42 42 LEU C C 42 173.800 175.049 -1.249 1
1 476 . 5 1 1 A 42 42 LEU CA C 42 54.500 54.726 -0.226 1
1 477 . 5 1 1 A 42 42 LEU CB C 42 43.400 42.442 0.958 1
1 481 . 5 1 1 A 42 42 LEU N N 42 121.000 123.413 -2.413 1
1 482 . 5 1 1 A 43 43 ASP H H 43 8.520 8.723 -0.203 1
1 483 . 5 1 1 A 43 43 ASP HA H 43 4.800 5.116 -0.316 1
1 486 . 5 1 1 A 43 43 ASP C C 43 175.400 176.654 -1.254 1
1 487 . 5 1 1 A 43 43 ASP CA C 43 51.600 51.903 -0.303 1
1 488 . 5 1 1 A 43 43 ASP CB C 43 42.200 44.222 -2.022 1
1 489 . 5 1 1 A 43 43 ASP N N 43 124.800 127.372 -2.572 1
1 490 . 5 1 1 A 44 44 ALA H H 44 8.640 8.607 0.033 1
1 491 . 5 1 1 A 44 44 ALA HA H 44 3.780 4.067 -0.287 1
1 495 . 5 1 1 A 44 44 ALA C C 44 178.100 179.653 -1.553 1
1 496 . 5 1 1 A 44 44 ALA CA C 44 55.400 55.561 -0.161 1
1 497 . 5 1 1 A 44 44 ALA CB C 44 18.100 18.248 -0.148 1
1 498 . 5 1 1 A 44 44 ALA N N 44 122.400 125.526 -3.126 1
1 499 . 5 1 1 A 45 45 GLU H H 45 8.240 8.156 0.084 1
1 500 . 5 1 1 A 45 45 GLU HA H 45 3.920 3.989 -0.069 1
1 505 . 5 1 1 A 45 45 GLU C C 45 179.300 178.491 0.809 1
1 506 . 5 1 1 A 45 45 GLU CA C 45 59.800 59.812 -0.012 1
1 507 . 5 1 1 A 45 45 GLU CB C 45 29.200 29.446 -0.246 1
1 509 . 5 1 1 A 45 45 GLU N N 45 115.600 118.980 -3.380 1
1 510 . 5 1 1 A 46 46 THR H H 46 7.910 8.139 -0.229 1
1 511 . 5 1 1 A 46 46 THR HA H 46 3.500 3.705 -0.205 1
1 516 . 5 1 1 A 46 46 THR C C 46 174.300 176.570 -2.270 1
1 517 . 5 1 1 A 46 46 THR CA C 46 66.600 65.628 0.972 1
1 518 . 5 1 1 A 46 46 THR CB C 46 67.700 68.322 -0.622 1
1 520 . 5 1 1 A 46 46 THR N N 46 117.700 114.301 3.399 1
1 521 . 5 1 1 A 47 47 LEU H H 47 7.710 8.300 -0.590 1
1 522 . 5 1 1 A 47 47 LEU HA H 47 3.510 4.116 -0.606 1
1 532 . 5 1 1 A 47 47 LEU C C 47 178.000 178.223 -0.223 1
1 533 . 5 1 1 A 47 47 LEU CA C 47 57.900 58.316 -0.416 1
1 534 . 5 1 1 A 47 47 LEU CB C 47 41.500 41.638 -0.138 1
1 538 . 5 1 1 A 47 47 LEU N N 47 120.400 124.369 -3.969 1
1 539 . 5 1 1 A 48 48 ASP H H 48 9.000 8.543 0.457 1
1 540 . 5 1 1 A 48 48 ASP HA H 48 4.490 4.242 0.248 1
1 543 . 5 1 1 A 48 48 ASP C C 48 179.100 178.240 0.860 1
1 544 . 5 1 1 A 48 48 ASP CA C 48 57.500 57.712 -0.212 1
1 545 . 5 1 1 A 48 48 ASP CB C 48 39.100 41.871 -2.771 1
1 546 . 5 1 1 A 48 48 ASP N N 48 116.800 118.346 -1.546 1
1 547 . 5 1 1 A 49 49 ARG H H 49 7.560 8.034 -0.474 1
1 548 . 5 1 1 A 49 49 ARG HA H 49 4.110 3.801 0.309 1
1 555 . 5 1 1 A 49 49 ARG C C 49 180.100 178.859 1.241 1
1 556 . 5 1 1 A 49 49 ARG CA C 49 60.300 58.961 1.339 1
1 557 . 5 1 1 A 49 49 ARG CB C 49 29.600 29.420 0.180 1
1 560 . 5 1 1 A 49 49 ARG N N 49 122.100 119.473 2.627 1
1 561 . 5 1 1 A 50 50 PHE H H 50 8.300 8.107 0.193 1
1 562 . 5 1 1 A 50 50 PHE HA H 50 4.550 4.343 0.207 1
1 569 . 5 1 1 A 50 50 PHE C C 50 178.400 178.264 0.136 1
1 570 . 5 1 1 A 50 50 PHE CA C 50 57.500 60.849 -3.349 1
1 571 . 5 1 1 A 50 50 PHE CB C 50 36.900 38.434 -1.534 1
1 576 . 5 1 1 A 50 50 PHE N N 50 122.100 118.627 3.473 1
1 577 . 5 1 1 A 51 51 LEU H H 51 8.460 8.283 0.177 1
1 587 . 5 1 1 A 51 51 LEU CA C 51 55.920 58.131 -2.211 1
1 588 . 5 1 1 A 51 51 LEU CB C 51 42.400 41.766 0.634 1
1 592 . 5 1 1 A 51 51 LEU N N 51 117.000 121.537 -4.537 1
1 593 . 5 1 1 A 52 52 LYS H H 52 7.660 8.132 -0.472 1
1 594 . 5 1 1 A 52 52 LYS HA H 52 4.180 4.081 0.099 1
1 603 . 5 1 1 A 52 52 LYS C C 52 178.300 178.222 0.078 1
1 604 . 5 1 1 A 52 52 LYS CA C 52 58.700 58.877 -0.177 1
1 605 . 5 1 1 A 52 52 LYS CB C 52 32.700 32.008 0.692 1
1 609 . 5 1 1 A 52 52 LYS N N 52 119.100 118.273 0.827 1
1 610 . 5 1 1 A 53 53 THR H H 53 7.430 7.296 0.134 1
1 611 . 5 1 1 A 53 53 THR HA H 53 4.570 4.365 0.205 1
1 616 . 5 1 1 A 53 53 THR C C 53 173.800 174.634 -0.834 1
1 617 . 5 1 1 A 53 53 THR CA C 53 62.600 64.028 -1.428 1
1 618 . 5 1 1 A 53 53 THR CB C 53 70.800 70.114 0.686 1
1 620 . 5 1 1 A 53 53 THR N N 53 107.400 110.809 -3.409 1
1 621 . 5 1 1 A 54 54 VAL H H 54 8.500 7.976 0.524 1
1 622 . 5 1 1 A 54 54 VAL HA H 54 4.540 4.638 -0.098 1
1 630 . 5 1 1 A 54 54 VAL C C 54 179.400 173.529 5.871 1
1 631 . 5 1 1 A 54 54 VAL CA C 54 59.100 58.947 0.153 1
1 632 . 5 1 1 A 54 54 VAL CB C 54 33.500 35.381 -1.881 1
1 635 . 5 1 1 A 54 54 VAL N N 54 125.200 119.389 5.811 1
1 636 . 5 1 1 A 55 55 PRO HA H 55 4.590 4.620 -0.030 1
1 643 . 5 1 1 A 55 55 PRO C C 55 179.400 177.760 1.640 1
1 644 . 5 1 1 A 55 55 PRO CA C 55 62.100 62.680 -0.580 1
1 645 . 5 1 1 A 55 55 PRO CB C 55 32.900 32.336 0.564 1
1 648 . 5 1 1 A 56 56 TRP H H 56 8.690 8.854 -0.164 1
1 649 . 5 1 1 A 56 56 TRP HA H 56 3.990 4.317 -0.327 1
1 657 . 5 1 1 A 56 56 TRP C C 56 177.500 177.852 -0.352 1
1 658 . 5 1 1 A 56 56 TRP CA C 56 61.000 60.468 0.532 1
1 659 . 5 1 1 A 56 56 TRP CB C 56 27.400 28.462 -1.062 1
1 664 . 5 1 1 A 56 56 TRP N N 56 122.500 125.287 -2.787 1
1 666 . 5 1 1 A 57 57 GLU H H 57 8.410 7.706 0.704 1
1 667 . 5 1 1 A 57 57 GLU HA H 57 3.270 3.837 -0.567 1
1 672 . 5 1 1 A 57 57 GLU C C 57 178.000 177.085 0.915 1
1 673 . 5 1 1 A 57 57 GLU CA C 57 60.200 58.673 1.527 1
1 674 . 5 1 1 A 57 57 GLU CB C 57 28.200 28.258 -0.058 1
1 676 . 5 1 1 A 57 57 GLU N N 57 120.600 118.067 2.533 1
1 677 . 5 1 1 A 58 58 GLN H H 58 7.600 7.792 -0.192 1
1 678 . 5 1 1 A 58 58 GLN HA H 58 4.170 4.548 -0.378 1
1 683 . 5 1 1 A 58 58 GLN C C 58 175.500 175.739 -0.239 1
1 684 . 5 1 1 A 58 58 GLN CA C 58 56.000 54.806 1.194 1
1 685 . 5 1 1 A 58 58 GLN CB C 58 29.600 28.842 0.758 1
1 687 . 5 1 1 A 58 58 GLN N N 58 114.700 118.317 -3.617 1
1 688 . 5 1 1 A 59 59 LEU H H 59 7.440 8.227 -0.787 1
1 689 . 5 1 1 A 59 59 LEU HA H 59 4.220 4.530 -0.310 1
1 699 . 5 1 1 A 59 59 LEU C C 59 175.100 175.963 -0.863 1
1 700 . 5 1 1 A 59 59 LEU CA C 59 55.600 54.028 1.572 1
1 701 . 5 1 1 A 59 59 LEU CB C 59 44.700 43.479 1.221 1
1 705 . 5 1 1 A 59 59 LEU N N 59 119.500 121.486 -1.986 1
1 706 . 5 1 1 A 60 60 LEU H H 60 8.120 7.542 0.578 1
1 707 . 5 1 1 A 60 60 LEU HA H 60 4.410 5.039 -0.629 1
1 717 . 5 1 1 A 60 60 LEU C C 60 176.100 175.524 0.576 1
1 718 . 5 1 1 A 60 60 LEU CA C 60 55.400 53.423 1.977 1
1 719 . 5 1 1 A 60 60 LEU CB C 60 42.900 45.482 -2.582 1
1 723 . 5 1 1 A 60 60 LEU N N 60 119.300 117.664 1.636 1
1 724 . 5 1 1 A 61 61 ASN H H 61 9.120 8.501 0.619 1
1 729 . 5 1 1 A 61 61 ASN C C 61 175.600 174.850 0.750 1
1 730 . 5 1 1 A 61 61 ASN CA C 61 51.300 53.797 -2.497 1
1 731 . 5 1 1 A 61 61 ASN CB C 61 36.800 39.047 -2.247 1
1 732 . 5 1 1 A 61 61 ASN N N 61 124.900 117.882 7.018 1
1 734 . 5 1 1 A 62 62 ARG H H 62 8.140 8.980 -0.840 1
1 735 . 5 1 1 A 62 62 ARG HA H 62 3.450 4.269 -0.819 1
1 742 . 5 1 1 A 62 62 ARG C C 62 175.200 176.730 -1.530 1
1 743 . 5 1 1 A 62 62 ARG CA C 62 57.600 56.676 0.924 1
1 744 . 5 1 1 A 62 62 ARG CB C 62 30.200 31.707 -1.507 1
1 747 . 5 1 1 A 62 62 ARG N N 62 125.500 122.147 3.353 1
1 748 . 5 1 1 A 63 63 ALA H H 63 7.610 7.735 -0.125 1
1 749 . 5 1 1 A 63 63 ALA HA H 63 4.460 4.360 0.100 1
1 753 . 5 1 1 A 63 63 ALA C C 63 178.300 176.725 1.575 1
1 754 . 5 1 1 A 63 63 ALA CA C 63 51.800 51.352 0.448 1
1 755 . 5 1 1 A 63 63 ALA CB C 63 19.300 18.968 0.332 1
1 756 . 5 1 1 A 63 63 ALA N N 63 118.600 120.282 -1.682 1
1 757 . 5 1 1 A 64 64 GLY H H 64 7.150 8.383 -1.233 1
1 758 . 5 1 1 A 64 64 GLY HA2 H 64 4.410 4.111 0.299 1
1 759 . 5 1 1 A 64 64 GLY HA3 H 64 4.020 4.121 -0.101 1
1 760 . 5 1 1 A 64 64 GLY C C 64 173.500 174.901 -1.401 1
1 761 . 5 1 1 A 64 64 GLY CA C 64 45.400 43.852 1.548 1
1 762 . 5 1 1 A 64 64 GLY N N 64 105.700 107.324 -1.624 1
1 763 . 5 1 1 A 65 65 THR H H 65 8.340 9.109 -0.769 1
1 764 . 5 1 1 A 65 65 THR HA H 65 3.880 4.038 -0.158 1
1 769 . 5 1 1 A 65 65 THR C C 65 176.300 176.206 0.094 1
1 770 . 5 1 1 A 65 65 THR CA C 65 65.500 65.551 -0.051 1
1 771 . 5 1 1 A 65 65 THR CB C 65 69.000 68.265 0.735 1
1 773 . 5 1 1 A 65 65 THR N N 65 113.400 114.994 -1.594 1
1 774 . 5 1 1 A 66 66 THR H H 66 7.940 8.214 -0.274 1
1 775 . 5 1 1 A 66 66 THR HA H 66 3.820 4.065 -0.245 1
1 780 . 5 1 1 A 66 66 THR C C 66 176.100 176.644 -0.544 1
1 781 . 5 1 1 A 66 66 THR CA C 66 67.000 65.801 1.199 1
1 782 . 5 1 1 A 66 66 THR CB C 66 68.000 68.171 -0.171 1
1 784 . 5 1 1 A 66 66 THR N N 66 116.200 114.402 1.798 1
1 785 . 5 1 1 A 67 67 PHE H H 67 8.720 8.046 0.674 1
1 786 . 5 1 1 A 67 67 PHE HA H 67 4.130 4.034 0.096 1
1 793 . 5 1 1 A 67 67 PHE C C 67 176.900 177.295 -0.395 1
1 794 . 5 1 1 A 67 67 PHE CA C 67 61.500 61.269 0.231 1
1 795 . 5 1 1 A 67 67 PHE CB C 67 39.800 39.150 0.650 1
1 800 . 5 1 1 A 67 67 PHE N N 67 122.400 123.057 -0.657 1
1 801 . 5 1 1 A 68 68 ARG H H 68 7.750 7.750 0.000 1
1 802 . 5 1 1 A 68 68 ARG HA H 68 3.790 4.402 -0.612 1
1 809 . 5 1 1 A 68 68 ARG C C 68 176.800 178.431 -1.631 1
1 810 . 5 1 1 A 68 68 ARG CA C 68 59.200 58.117 1.083 1
1 811 . 5 1 1 A 68 68 ARG CB C 68 30.200 30.057 0.143 1
1 814 . 5 1 1 A 68 68 ARG N N 68 114.400 117.722 -3.322 1
1 815 . 5 1 1 A 69 69 LYS H H 69 7.360 7.658 -0.298 1
1 816 . 5 1 1 A 69 69 LYS HA H 69 4.190 4.023 0.167 1
1 819 . 5 1 1 A 69 69 LYS C C 69 177.400 176.554 0.846 1
1 820 . 5 1 1 A 69 69 LYS CA C 69 56.700 59.153 -2.453 1
1 821 . 5 1 1 A 69 69 LYS CB C 69 33.000 32.364 0.636 1
1 825 . 5 1 1 A 69 69 LYS N N 69 115.600 119.582 -3.982 1
1 826 . 5 1 1 A 70 70 LEU H H 70 7.440 7.622 -0.182 1
1 827 . 5 1 1 A 70 70 LEU HA H 70 4.350 4.416 -0.066 1
1 830 . 5 1 1 A 70 70 LEU CA C 70 53.800 52.721 1.079 1
1 831 . 5 1 1 A 70 70 LEU CB C 70 41.000 41.341 -0.341 1
1 832 . 5 1 1 A 70 70 LEU N N 70 121.400 120.394 1.006 1
1 833 . 5 1 1 A 71 71 PRO HA H 71 4.460 4.541 -0.081 1
1 840 . 5 1 1 A 71 71 PRO C C 71 177.500 177.090 0.410 1
1 841 . 5 1 1 A 71 71 PRO CA C 71 62.800 62.275 0.525 1
1 842 . 5 1 1 A 71 71 PRO CB C 71 32.600 33.324 -0.724 1
1 845 . 5 1 1 A 72 72 GLU H H 72 9.010 8.752 0.258 1
1 846 . 5 1 1 A 72 72 GLU HA H 72 3.650 4.030 -0.380 1
1 851 . 5 1 1 A 72 72 GLU C C 72 177.600 178.625 -1.025 1
1 852 . 5 1 1 A 72 72 GLU CA C 72 60.500 59.266 1.234 1
1 853 . 5 1 1 A 72 72 GLU CB C 72 29.900 29.040 0.860 1
1 855 . 5 1 1 A 72 72 GLU N N 72 124.100 121.774 2.326 1
1 856 . 5 1 1 A 73 73 ASP H H 73 8.860 8.095 0.765 1
1 857 . 5 1 1 A 73 73 ASP HA H 73 4.290 4.404 -0.114 1
1 860 . 5 1 1 A 73 73 ASP C C 73 177.600 178.703 -1.103 1
1 861 . 5 1 1 A 73 73 ASP CA C 73 56.700 57.215 -0.515 1
1 862 . 5 1 1 A 73 73 ASP CB C 73 39.300 40.936 -1.636 1
1 863 . 5 1 1 A 73 73 ASP N N 73 116.200 120.416 -4.216 1
1 864 . 5 1 1 A 74 74 VAL H H 74 7.120 8.099 -0.979 1
1 865 . 5 1 1 A 74 74 VAL HA H 74 3.740 3.434 0.306 1
1 873 . 5 1 1 A 74 74 VAL C C 74 178.200 177.705 0.495 1
1 874 . 5 1 1 A 74 74 VAL CA C 74 65.000 66.839 -1.839 1
1 875 . 5 1 1 A 74 74 VAL CB C 74 32.100 31.277 0.823 1
1 878 . 5 1 1 A 74 74 VAL N N 74 120.400 120.108 0.292 1
1 879 . 5 1 1 A 75 75 ARG H H 75 7.700 7.842 -0.142 1
1 880 . 5 1 1 A 75 75 ARG HA H 75 3.790 4.010 -0.220 1
1 887 . 5 1 1 A 75 75 ARG C C 75 178.500 177.704 0.796 1
1 888 . 5 1 1 A 75 75 ARG CA C 75 59.600 58.743 0.857 1
1 889 . 5 1 1 A 75 75 ARG CB C 75 31.100 29.856 1.244 1
1 892 . 5 1 1 A 75 75 ARG N N 75 115.900 119.599 -3.699 1
1 893 . 5 1 1 A 76 76 SER H H 76 8.260 7.843 0.417 1
1 894 . 5 1 1 A 76 76 SER HA H 76 4.380 4.353 0.027 1
1 897 . 5 1 1 A 76 76 SER C C 76 174.700 175.574 -0.874 1
1 898 . 5 1 1 A 76 76 SER CA C 76 60.500 60.802 -0.302 1
1 899 . 5 1 1 A 76 76 SER CB C 76 63.500 63.220 0.280 1
1 900 . 5 1 1 A 76 76 SER N N 76 111.800 115.440 -3.640 1
1 901 . 5 1 1 A 77 77 ASN H H 77 7.380 7.602 -0.222 1
1 902 . 5 1 1 A 77 77 ASN HA H 77 5.010 4.871 0.139 1
1 907 . 5 1 1 A 77 77 ASN C C 77 174.300 174.747 -0.447 1
1 908 . 5 1 1 A 77 77 ASN CA C 77 52.600 52.969 -0.369 1
1 909 . 5 1 1 A 77 77 ASN CB C 77 39.800 38.602 1.198 1
1 910 . 5 1 1 A 77 77 ASN N N 77 118.000 117.080 0.920 1
1 912 . 5 1 1 A 78 78 VAL H H 78 7.300 7.392 -0.092 1
1 913 . 5 1 1 A 78 78 VAL HA H 78 3.850 3.892 -0.042 1
1 921 . 5 1 1 A 78 78 VAL C C 78 173.200 175.145 -1.945 1
1 922 . 5 1 1 A 78 78 VAL CA C 78 63.600 62.269 1.331 1
1 923 . 5 1 1 A 78 78 VAL CB C 78 32.100 32.368 -0.268 1
1 926 . 5 1 1 A 78 78 VAL N N 78 121.200 120.730 0.470 1
1 927 . 5 1 1 A 79 79 ASP H H 79 7.660 8.435 -0.775 1
1 928 . 5 1 1 A 79 79 ASP HA H 79 4.380 4.866 -0.486 1
1 931 . 5 1 1 A 79 79 ASP C C 79 173.700 175.701 -2.001 1
1 932 . 5 1 1 A 79 79 ASP CA C 79 51.500 51.821 -0.321 1
1 933 . 5 1 1 A 79 79 ASP CB C 79 41.800 43.197 -1.397 1
1 934 . 5 1 1 A 79 79 ASP N N 79 127.000 127.146 -0.146 1
1 935 . 5 1 1 A 80 80 ALA H H 80 8.110 8.648 -0.538 1
1 936 . 5 1 1 A 80 80 ALA HA H 80 2.420 3.678 -1.258 1
1 940 . 5 1 1 A 80 80 ALA C C 80 178.700 179.680 -0.980 1
1 941 . 5 1 1 A 80 80 ALA CA C 80 55.600 55.259 0.341 1
1 942 . 5 1 1 A 80 80 ALA CB C 80 18.600 18.402 0.198 1
1 943 . 5 1 1 A 80 80 ALA N N 80 119.900 121.475 -1.575 1
1 944 . 5 1 1 A 81 81 ALA H H 81 7.760 8.162 -0.402 1
1 945 . 5 1 1 A 81 81 ALA HA H 81 4.030 3.934 0.096 1
1 949 . 5 1 1 A 81 81 ALA C C 81 180.700 179.797 0.903 1
1 950 . 5 1 1 A 81 81 ALA CA C 81 54.800 55.233 -0.433 1
1 951 . 5 1 1 A 81 81 ALA CB C 81 18.300 18.622 -0.322 1
1 952 . 5 1 1 A 81 81 ALA N N 81 118.500 120.341 -1.841 1
1 953 . 5 1 1 A 82 82 SER H H 82 8.480 8.145 0.335 1
1 954 . 5 1 1 A 82 82 SER HA H 82 4.240 3.999 0.241 1
1 957 . 5 1 1 A 82 82 SER C C 82 177.200 176.293 0.907 1
1 958 . 5 1 1 A 82 82 SER CA C 82 60.300 62.018 -1.718 1
1 959 . 5 1 1 A 82 82 SER CB C 82 62.700 62.768 -0.068 1
1 960 . 5 1 1 A 82 82 SER N N 82 115.300 113.253 2.047 1
1 961 . 5 1 1 A 83 83 ALA H H 83 8.970 8.059 0.911 1
1 962 . 5 1 1 A 83 83 ALA HA H 83 3.820 3.855 -0.035 1
1 966 . 5 1 1 A 83 83 ALA C C 83 178.600 180.018 -1.418 1
1 967 . 5 1 1 A 83 83 ALA CA C 83 55.600 55.096 0.504 1
1 968 . 5 1 1 A 83 83 ALA CB C 83 19.400 18.098 1.302 1
1 969 . 5 1 1 A 83 83 ALA N N 83 124.700 123.272 1.428 1
1 970 . 5 1 1 A 84 84 ARG H H 84 7.250 8.033 -0.783 1
1 971 . 5 1 1 A 84 84 ARG HA H 84 3.740 4.011 -0.271 1
1 978 . 5 1 1 A 84 84 ARG C C 84 176.600 179.189 -2.589 1
1 979 . 5 1 1 A 84 84 ARG CA C 84 60.100 59.784 0.316 1
1 980 . 5 1 1 A 84 84 ARG CB C 84 29.900 30.123 -0.223 1
1 983 . 5 1 1 A 84 84 ARG N N 84 116.500 117.517 -1.017 1
1 984 . 5 1 1 A 85 85 GLU H H 85 7.240 8.153 -0.913 1
1 985 . 5 1 1 A 85 85 GLU HA H 85 3.890 4.016 -0.126 1
1 990 . 5 1 1 A 85 85 GLU C C 85 179.800 179.229 0.571 1
1 991 . 5 1 1 A 85 85 GLU CA C 85 59.200 58.931 0.269 1
1 992 . 5 1 1 A 85 85 GLU CB C 85 29.300 29.335 -0.035 1
1 994 . 5 1 1 A 85 85 GLU N N 85 115.600 120.106 -4.506 1
1 995 . 5 1 1 A 86 86 LEU H H 86 8.620 8.413 0.207 1
1 996 . 5 1 1 A 86 86 LEU HA H 86 4.030 3.943 0.087 1
1 1006 . 5 1 1 A 86 86 LEU C C 86 178.600 179.046 -0.446 1
1 1007 . 5 1 1 A 86 86 LEU CA C 86 58.100 57.735 0.365 1
1 1008 . 5 1 1 A 86 86 LEU CB C 86 42.200 41.901 0.299 1
1 1012 . 5 1 1 A 86 86 LEU N N 86 120.800 120.730 0.070 1
1 1013 . 5 1 1 A 87 87 MET H H 87 7.840 8.355 -0.515 1
1 1014 . 5 1 1 A 87 87 MET HA H 87 3.680 4.147 -0.467 1
1 1022 . 5 1 1 A 87 87 MET C C 87 175.600 178.765 -3.165 1
1 1023 . 5 1 1 A 87 87 MET CA C 87 60.000 58.698 1.302 1
1 1024 . 5 1 1 A 87 87 MET CB C 87 34.300 32.112 2.188 1
1 1027 . 5 1 1 A 87 87 MET N N 87 116.700 116.420 0.280 1
1 1028 . 5 1 1 A 88 88 LEU H H 88 7.490 8.251 -0.761 1
1 1029 . 5 1 1 A 88 88 LEU HA H 88 3.890 4.105 -0.215 1
1 1039 . 5 1 1 A 88 88 LEU C C 88 179.200 178.404 0.796 1
1 1040 . 5 1 1 A 88 88 LEU CA C 88 57.000 58.141 -1.141 1
1 1041 . 5 1 1 A 88 88 LEU CB C 88 41.800 41.926 -0.126 1
1 1045 . 5 1 1 A 88 88 LEU N N 88 113.400 121.672 -8.272 1
1 1046 . 5 1 1 A 89 89 ALA H H 89 7.690 7.931 -0.241 1
1 1047 . 5 1 1 A 89 89 ALA HA H 89 4.210 4.164 0.046 1
1 1051 . 5 1 1 A 89 89 ALA C C 89 179.100 177.913 1.187 1
1 1052 . 5 1 1 A 89 89 ALA CA C 89 54.100 55.064 -0.964 1
1 1053 . 5 1 1 A 89 89 ALA CB C 89 19.200 19.018 0.182 1
1 1054 . 5 1 1 A 89 89 ALA N N 89 119.100 119.912 -0.812 1
1 1055 . 5 1 1 A 90 90 GLN H H 90 8.100 8.358 -0.258 1
1 1062 . 5 1 1 A 90 90 GLN CA C 90 53.400 53.104 0.296 1
1 1063 . 5 1 1 A 90 90 GLN CB C 90 30.900 28.760 2.140 1
1 1064 . 5 1 1 A 90 90 GLN N N 90 115.100 114.321 0.779 1
1 1066 . 5 1 1 A 91 91 PRO HA H 91 4.530 4.682 -0.152 1
1 1073 . 5 1 1 A 91 91 PRO C C 91 178.300 177.369 0.931 1
1 1074 . 5 1 1 A 91 91 PRO CA C 91 64.300 64.069 0.231 1
1 1075 . 5 1 1 A 91 91 PRO CB C 91 31.800 31.965 -0.165 1
1 1078 . 5 1 1 A 92 92 SER H H 92 8.510 8.211 0.299 1
1 1079 . 5 1 1 A 92 92 SER HA H 92 4.310 4.045 0.265 1
1 1082 . 5 1 1 A 92 92 SER C C 92 174.200 176.062 -1.862 1
1 1083 . 5 1 1 A 92 92 SER CA C 92 62.000 60.239 1.761 1
1 1084 . 5 1 1 A 92 92 SER CB C 92 62.500 62.864 -0.364 1
1 1085 . 5 1 1 A 92 92 SER N N 92 115.000 112.978 2.022 1
1 1086 . 5 1 1 A 93 93 MET H H 93 8.790 7.486 1.304 1
1 1087 . 5 1 1 A 93 93 MET HA H 93 4.560 4.499 0.061 1
1 1092 . 5 1 1 A 93 93 MET C C 93 174.900 176.464 -1.564 1
1 1093 . 5 1 1 A 93 93 MET CA C 93 56.900 56.591 0.309 1
1 1094 . 5 1 1 A 93 93 MET CB C 93 35.000 33.052 1.948 1
1 1096 . 5 1 1 A 93 93 MET N N 93 118.400 117.603 0.797 1
1 1097 . 5 1 1 A 94 94 VAL H H 94 7.540 7.659 -0.119 1
1 1098 . 5 1 1 A 94 94 VAL HA H 94 4.080 4.241 -0.161 1
1 1106 . 5 1 1 A 94 94 VAL C C 94 178.000 176.171 1.829 1
1 1107 . 5 1 1 A 94 94 VAL CA C 94 63.100 63.219 -0.119 1
1 1108 . 5 1 1 A 94 94 VAL CB C 94 31.700 31.797 -0.097 1
1 1111 . 5 1 1 A 94 94 VAL N N 94 121.000 121.239 -0.239 1
1 1112 . 5 1 1 A 95 95 LYS H H 95 9.550 8.656 0.894 1
1 1113 . 5 1 1 A 95 95 LYS HA H 95 3.940 4.342 -0.402 1
1 1116 . 5 1 1 A 95 95 LYS CA C 95 58.800 56.158 2.642 1
1 1117 . 5 1 1 A 95 95 LYS CB C 95 33.500 33.303 0.197 1
1 1121 . 5 1 1 A 95 95 LYS N N 95 131.200 126.119 5.081 1
1 1122 . 5 1 1 A 96 96 ARG H H 96 8.260 8.740 -0.480 1
1 1125 . 5 1 1 A 96 96 ARG CA C 96 52.700 54.684 -1.984 1
1 1126 . 5 1 1 A 96 96 ARG CB C 96 34.400 32.731 1.669 1
1 1127 . 5 1 1 A 96 96 ARG N N 96 117.100 120.707 -3.607 1
1 1134 . 5 1 1 A 97 97 PRO C C 97 176.600 175.385 1.215 1
1 1135 . 5 1 1 A 97 97 PRO CA C 97 62.400 62.453 -0.053 1
1 1136 . 5 1 1 A 97 97 PRO CB C 97 34.700 32.493 2.207 1
1 1139 . 5 1 1 A 98 98 VAL H H 98 7.540 8.074 -0.534 1
1 1140 . 5 1 1 A 98 98 VAL HA H 98 4.460 4.707 -0.247 1
1 1148 . 5 1 1 A 98 98 VAL C C 98 173.500 174.060 -0.560 1
1 1149 . 5 1 1 A 98 98 VAL CA C 98 64.000 60.720 3.280 1
1 1150 . 5 1 1 A 98 98 VAL CB C 98 33.600 34.057 -0.457 1
1 1153 . 5 1 1 A 98 98 VAL N N 98 117.800 121.473 -3.673 1
1 1154 . 5 1 1 A 99 99 LEU H H 99 9.030 9.229 -0.199 1
1 1155 . 5 1 1 A 99 99 LEU HA H 99 5.410 5.361 0.049 1
1 1165 . 5 1 1 A 99 99 LEU C C 99 173.800 175.524 -1.724 1
1 1166 . 5 1 1 A 99 99 LEU CA C 99 54.300 53.609 0.691 1
1 1167 . 5 1 1 A 99 99 LEU CB C 99 45.800 44.136 1.664 1
1 1171 . 5 1 1 A 99 99 LEU N N 99 131.400 127.967 3.433 1
1 1172 . 5 1 1 A 100 100 GLU H H 100 9.390 9.038 0.352 1
1 1173 . 5 1 1 A 100 100 GLU HA H 100 5.050 5.145 -0.095 1
1 1178 . 5 1 1 A 100 100 GLU C C 100 174.200 175.043 -0.843 1
1 1179 . 5 1 1 A 100 100 GLU CA C 100 55.300 54.774 0.526 1
1 1180 . 5 1 1 A 100 100 GLU CB C 100 35.600 32.550 3.050 1
1 1182 . 5 1 1 A 100 100 GLU N N 100 125.800 126.540 -0.740 1
1 1183 . 5 1 1 A 101 101 ARG H H 101 7.610 8.708 -1.098 1
1 1184 . 5 1 1 A 101 101 ARG C C 101 175.900 175.240 0.660 1
1 1185 . 5 1 1 A 101 101 ARG CA C 101 56.700 55.935 0.765 1
1 1186 . 5 1 1 A 101 101 ARG CB C 101 32.500 32.991 -0.491 1
1 1189 . 5 1 1 A 101 101 ARG N N 101 125.100 126.942 -1.842 1
1 1190 . 5 1 1 A 102 102 ASP H H 102 10.080 9.486 0.594 1
1 1191 . 5 1 1 A 102 102 ASP HA H 102 4.450 4.297 0.153 1
1 1194 . 5 1 1 A 102 102 ASP C C 102 175.700 175.225 0.475 1
1 1195 . 5 1 1 A 102 102 ASP CA C 102 55.300 55.071 0.229 1
1 1196 . 5 1 1 A 102 102 ASP CB C 102 40.500 39.758 0.742 1
1 1197 . 5 1 1 A 102 102 ASP N N 102 132.000 126.627 5.373 1
1 1198 . 5 1 1 A 103 103 GLY H H 103 8.870 8.375 0.495 1
1 1199 . 5 1 1 A 103 103 GLY HA2 H 103 4.120 3.937 0.183 1
1 1200 . 5 1 1 A 103 103 GLY HA3 H 103 3.830 3.943 -0.113 1
1 1201 . 5 1 1 A 103 103 GLY C C 103 174.000 174.323 -0.323 1
1 1202 . 5 1 1 A 103 103 GLY CA C 103 45.600 45.225 0.375 1
1 1203 . 5 1 1 A 103 103 GLY N N 103 102.900 104.572 -1.672 1
1 1204 . 5 1 1 A 104 104 LYS H H 104 8.130 7.848 0.282 1
1 1205 . 5 1 1 A 104 104 LYS HA H 104 4.650 4.353 0.297 1
1 1208 . 5 1 1 A 104 104 LYS C C 104 176.500 175.778 0.722 1
1 1209 . 5 1 1 A 104 104 LYS CA C 104 55.500 56.882 -1.382 1
1 1210 . 5 1 1 A 104 104 LYS CB C 104 32.600 33.544 -0.944 1
1 1214 . 5 1 1 A 104 104 LYS N N 104 122.400 121.217 1.183 1
1 1215 . 5 1 1 A 105 105 LEU H H 105 8.920 8.882 0.038 1
1 1216 . 5 1 1 A 105 105 LEU HA H 105 5.420 5.323 0.097 1
1 1226 . 5 1 1 A 105 105 LEU C C 105 177.200 175.034 2.166 1
1 1227 . 5 1 1 A 105 105 LEU CA C 105 54.300 53.780 0.520 1
1 1228 . 5 1 1 A 105 105 LEU CB C 105 45.400 44.830 0.570 1
1 1232 . 5 1 1 A 105 105 LEU N N 105 129.200 127.223 1.977 1
1 1233 . 5 1 1 A 106 106 MET H H 106 8.860 8.922 -0.062 1
1 1234 . 5 1 1 A 106 106 MET HA H 106 4.580 5.031 -0.451 1
1 1239 . 5 1 1 A 106 106 MET C C 106 174.500 174.544 -0.044 1
1 1240 . 5 1 1 A 106 106 MET CA C 106 55.300 54.399 0.901 1
1 1241 . 5 1 1 A 106 106 MET CB C 106 36.500 37.069 -0.569 1
1 1243 . 5 1 1 A 106 106 MET N N 106 121.500 124.445 -2.945 1
1 1244 . 5 1 1 A 107 107 VAL H H 107 9.180 8.616 0.564 1
1 1245 . 5 1 1 A 107 107 VAL HA H 107 4.690 4.308 0.382 1
1 1253 . 5 1 1 A 107 107 VAL C C 107 176.200 175.904 0.296 1
1 1254 . 5 1 1 A 107 107 VAL CA C 107 61.400 60.930 0.470 1
1 1255 . 5 1 1 A 107 107 VAL CB C 107 33.400 32.974 0.426 1
1 1258 . 5 1 1 A 107 107 VAL N N 107 129.500 122.728 6.772 1
1 1259 . 5 1 1 A 108 108 GLY H H 108 8.730 8.443 0.287 1
1 1260 . 5 1 1 A 108 108 GLY HA2 H 108 4.430 3.807 0.623 1
1 1261 . 5 1 1 A 108 108 GLY HA3 H 108 3.850 3.837 0.013 1
1 1262 . 5 1 1 A 108 108 GLY CA C 108 43.800 44.663 -0.863 1
1 1263 . 5 1 1 A 108 108 GLY N N 108 113.600 112.586 1.014 1
1 1271 . 5 1 1 A 109 109 PHE C C 109 172.700 175.202 -2.502 1
1 1272 . 5 1 1 A 109 109 PHE CA C 109 58.900 56.531 2.369 1
1 1273 . 5 1 1 A 109 109 PHE CB C 109 42.100 43.374 -1.274 1
1 1279 . 5 1 1 A 110 110 LYS H H 110 6.510 8.520 -2.010 1
1 1282 . 5 1 1 A 110 110 LYS CA C 110 53.500 55.177 -1.677 1
1 1283 . 5 1 1 A 110 110 LYS CB C 110 34.800 32.102 2.698 1
1 1284 . 5 1 1 A 110 110 LYS N N 110 126.600 121.268 5.332 1
1 1285 . 5 1 1 A 111 111 PRO HA H 111 3.360 4.099 -0.739 1
1 1292 . 5 1 1 A 111 111 PRO C C 111 177.100 178.600 -1.500 1
1 1293 . 5 1 1 A 111 111 PRO CA C 111 66.600 65.762 0.838 1
1 1294 . 5 1 1 A 111 111 PRO CB C 111 31.700 31.721 -0.021 1
1 1297 . 5 1 1 A 112 112 ALA H H 112 8.450 8.291 0.159 1
1 1298 . 5 1 1 A 112 112 ALA HA H 112 4.140 4.060 0.080 1
1 1302 . 5 1 1 A 112 112 ALA C C 112 180.300 180.591 -0.291 1
1 1303 . 5 1 1 A 112 112 ALA CA C 112 54.900 55.350 -0.450 1
1 1304 . 5 1 1 A 112 112 ALA CB C 112 18.800 18.435 0.365 1
1 1305 . 5 1 1 A 112 112 ALA N N 112 116.200 118.589 -2.389 1
1 1306 . 5 1 1 A 113 113 GLN H H 113 6.880 7.735 -0.855 1
1 1307 . 5 1 1 A 113 113 GLN HA H 113 4.130 4.041 0.089 1
1 1314 . 5 1 1 A 113 113 GLN C C 113 178.400 178.244 0.156 1
1 1315 . 5 1 1 A 113 113 GLN CA C 113 60.100 59.054 1.046 1
1 1316 . 5 1 1 A 113 113 GLN CB C 113 29.100 28.790 0.310 1
1 1318 . 5 1 1 A 113 113 GLN N N 113 118.200 117.667 0.533 1
1 1320 . 5 1 1 A 114 114 TYR H H 114 7.600 8.252 -0.652 1
1 1321 . 5 1 1 A 114 114 TYR HA H 114 3.800 4.206 -0.406 1
1 1328 . 5 1 1 A 114 114 TYR C C 114 177.100 178.068 -0.968 1
1 1329 . 5 1 1 A 114 114 TYR CA C 114 61.700 61.472 0.228 1
1 1330 . 5 1 1 A 114 114 TYR CB C 114 33.200 38.572 -5.372 1
1 1335 . 5 1 1 A 114 114 TYR N N 114 124.900 121.077 3.823 1
1 1336 . 5 1 1 A 115 115 GLU H H 115 8.610 8.452 0.158 1
1 1337 . 5 1 1 A 115 115 GLU HA H 115 4.160 4.215 -0.055 1
1 1342 . 5 1 1 A 115 115 GLU C C 115 178.800 179.286 -0.486 1
1 1343 . 5 1 1 A 115 115 GLU CA C 115 60.100 59.671 0.429 1
1 1344 . 5 1 1 A 115 115 GLU CB C 115 30.000 29.959 0.041 1
1 1346 . 5 1 1 A 115 115 GLU N N 115 119.300 118.723 0.577 1
1 1347 . 5 1 1 A 116 116 ALA H H 116 7.390 8.063 -0.673 1
1 1348 . 5 1 1 A 116 116 ALA HA H 116 4.210 4.169 0.041 1
1 1352 . 5 1 1 A 116 116 ALA C C 116 179.700 179.518 0.182 1
1 1353 . 5 1 1 A 116 116 ALA CA C 116 54.600 54.897 -0.297 1
1 1354 . 5 1 1 A 116 116 ALA CB C 116 18.200 18.094 0.106 1
1 1355 . 5 1 1 A 116 116 ALA N N 116 118.200 122.372 -4.172 1
1 1356 . 5 1 1 A 117 117 TYR H H 117 7.780 8.131 -0.351 1
1 1357 . 5 1 1 A 117 117 TYR HA H 117 3.890 4.166 -0.276 1
1 1364 . 5 1 1 A 117 117 TYR C C 117 177.300 177.648 -0.348 1
1 1365 . 5 1 1 A 117 117 TYR CA C 117 61.100 61.547 -0.447 1
1 1366 . 5 1 1 A 117 117 TYR CB C 117 39.200 38.400 0.800 1
1 1371 . 5 1 1 A 117 117 TYR N N 117 120.200 119.821 0.379 1
1 1372 . 5 1 1 A 118 118 PHE H H 118 7.960 8.112 -0.152 1
1 1379 . 5 1 1 A 118 118 PHE C C 118 174.900 176.217 -1.317 1
1 1380 . 5 1 1 A 118 118 PHE CA C 118 57.850 61.112 -3.262 1
1 1381 . 5 1 1 A 118 118 PHE CB C 118 39.100 39.286 -0.186 1
1 1386 . 5 1 1 A 118 118 PHE N N 118 113.100 120.432 -7.332 1
1 1387 . 5 1 1 A 119 119 LYS H H 119 7.670 7.714 -0.044 1
1 1388 . 5 1 1 A 119 119 LYS HA H 119 4.210 4.205 0.005 1
1 1397 . 5 1 1 A 119 119 LYS CA C 119 57.300 55.868 1.432 1
1 1398 . 5 1 1 A 119 119 LYS CB C 119 31.200 33.455 -2.255 1
1 1402 . 5 1 1 A 119 119 LYS N N 119 120.200 119.182 1.018 1
1 1 . 6 1 1 A 2 2 PRO HA H 2 4.500 4.617 -0.117 1
1 8 . 6 1 1 A 2 2 PRO C C 2 177.500 176.527 0.973 1
1 9 . 6 1 1 A 2 2 PRO CA C 2 63.500 62.925 0.575 1
1 10 . 6 1 1 A 2 2 PRO CB C 2 32.200 33.367 -1.167 1
1 13 . 6 1 1 A 3 3 GLY H H 3 8.113 8.190 -0.077 1
1 14 . 6 1 1 A 3 3 GLY HA2 H 3 4.060 4.154 -0.094 1
1 15 . 6 1 1 A 3 3 GLY HA3 H 3 4.030 4.160 -0.130 1
1 16 . 6 1 1 A 3 3 GLY CA C 3 45.300 45.624 -0.324 1
1 17 . 6 1 1 A 3 3 GLY N N 3 110.500 108.767 1.733 1
1 18 . 6 1 1 A 4 4 SER H H 4 8.280 9.102 -0.822 1
1 19 . 6 1 1 A 4 4 SER HA H 4 4.520 4.404 0.116 1
1 22 . 6 1 1 A 4 4 SER C C 4 178.100 176.819 1.281 1
1 23 . 6 1 1 A 4 4 SER CA C 4 58.600 60.963 -2.363 1
1 24 . 6 1 1 A 4 4 SER CB C 4 63.800 63.489 0.311 1
1 25 . 6 1 1 A 4 4 SER N N 4 115.900 119.375 -3.475 1
1 26 . 6 1 1 A 5 5 MET H H 5 8.680 8.033 0.647 1
1 27 . 6 1 1 A 5 5 MET HA H 5 4.700 4.363 0.337 1
1 32 . 6 1 1 A 5 5 MET C C 5 174.800 176.413 -1.613 1
1 33 . 6 1 1 A 5 5 MET CA C 5 54.900 58.272 -3.372 1
1 34 . 6 1 1 A 5 5 MET CB C 5 32.500 32.680 -0.180 1
1 36 . 6 1 1 A 5 5 MET N N 5 121.500 119.603 1.897 1
1 37 . 6 1 1 A 6 6 SER H H 6 8.220 8.058 0.162 1
1 38 . 6 1 1 A 6 6 SER HA H 6 4.580 4.931 -0.351 1
1 41 . 6 1 1 A 6 6 SER C C 6 174.200 173.122 1.078 1
1 42 . 6 1 1 A 6 6 SER CA C 6 59.100 56.243 2.857 1
1 43 . 6 1 1 A 6 6 SER CB C 6 63.800 65.792 -1.992 1
1 44 . 6 1 1 A 6 6 SER N N 6 117.000 111.800 5.200 1
1 45 . 6 1 1 A 7 7 VAL H H 7 8.750 8.675 0.075 1
1 46 . 6 1 1 A 7 7 VAL HA H 7 4.840 5.009 -0.169 1
1 54 . 6 1 1 A 7 7 VAL C C 7 175.800 174.860 0.940 1
1 55 . 6 1 1 A 7 7 VAL CA C 7 61.800 60.465 1.335 1
1 56 . 6 1 1 A 7 7 VAL CB C 7 33.800 35.450 -1.650 1
1 59 . 6 1 1 A 7 7 VAL N N 7 124.100 119.351 4.749 1
1 60 . 6 1 1 A 8 8 THR H H 8 8.880 8.296 0.584 1
1 61 . 6 1 1 A 8 8 THR HA H 8 5.360 5.109 0.251 1
1 66 . 6 1 1 A 8 8 THR C C 8 172.500 172.861 -0.361 1
1 67 . 6 1 1 A 8 8 THR CA C 8 61.700 61.453 0.247 1
1 68 . 6 1 1 A 8 8 THR CB C 8 70.600 70.777 -0.177 1
1 70 . 6 1 1 A 8 8 THR N N 8 124.500 122.652 1.848 1
1 71 . 6 1 1 A 9 9 ILE H H 9 9.170 9.049 0.121 1
1 72 . 6 1 1 A 9 9 ILE HA H 9 5.610 5.509 0.101 1
1 82 . 6 1 1 A 9 9 ILE C C 9 172.500 172.637 -0.137 1
1 83 . 6 1 1 A 9 9 ILE CA C 9 58.300 58.619 -0.319 1
1 84 . 6 1 1 A 9 9 ILE CB C 9 42.400 41.553 0.847 1
1 88 . 6 1 1 A 9 9 ILE N N 9 123.900 128.402 -4.502 1
1 89 . 6 1 1 A 10 10 TYR H H 10 9.740 9.294 0.446 1
1 90 . 6 1 1 A 10 10 TYR HA H 10 5.410 5.586 -0.176 1
1 95 . 6 1 1 A 10 10 TYR C C 10 177.500 176.045 1.455 1
1 96 . 6 1 1 A 10 10 TYR CA C 10 56.500 55.445 1.055 1
1 97 . 6 1 1 A 10 10 TYR CB C 10 40.300 40.437 -0.137 1
1 100 . 6 1 1 A 10 10 TYR N N 10 125.300 127.772 -2.472 1
1 101 . 6 1 1 A 11 11 GLY H H 11 7.880 8.456 -0.576 1
1 102 . 6 1 1 A 11 11 GLY HA2 H 11 4.700 4.487 0.213 1
1 103 . 6 1 1 A 11 11 GLY HA3 H 11 4.700 4.554 0.146 1
1 104 . 6 1 1 A 11 11 GLY C C 11 170.000 172.761 -2.761 1
1 105 . 6 1 1 A 11 11 GLY CA C 11 46.700 45.603 1.097 1
1 106 . 6 1 1 A 11 11 GLY N N 11 108.600 109.845 -1.245 1
1 107 . 6 1 1 A 12 12 ILE H H 12 6.340 8.768 -2.428 1
1 108 . 6 1 1 A 12 12 ILE HA H 12 5.330 5.124 0.206 1
1 118 . 6 1 1 A 12 12 ILE C C 12 175.100 175.904 -0.804 1
1 119 . 6 1 1 A 12 12 ILE CA C 12 59.300 58.727 0.573 1
1 120 . 6 1 1 A 12 12 ILE CB C 12 41.000 41.884 -0.884 1
1 124 . 6 1 1 A 12 12 ILE N N 12 113.300 117.094 -3.794 1
1 125 . 6 1 1 A 13 13 LYS H H 13 9.450 8.820 0.630 1
1 126 . 6 1 1 A 13 13 LYS HA H 13 4.090 4.412 -0.322 1
1 129 . 6 1 1 A 13 13 LYS C C 13 177.800 177.609 0.191 1
1 130 . 6 1 1 A 13 13 LYS CA C 13 59.200 57.381 1.819 1
1 131 . 6 1 1 A 13 13 LYS CB C 13 33.600 33.076 0.524 1
1 133 . 6 1 1 A 13 13 LYS N N 13 120.900 120.308 0.592 1
1 134 . 6 1 1 A 14 14 ASN H H 14 8.700 7.673 1.027 1
1 135 . 6 1 1 A 14 14 ASN HA H 14 4.690 4.894 -0.204 1
1 140 . 6 1 1 A 14 14 ASN C C 14 173.100 174.415 -1.315 1
1 141 . 6 1 1 A 14 14 ASN CA C 14 52.700 52.007 0.693 1
1 142 . 6 1 1 A 14 14 ASN CB C 14 36.300 37.096 -0.796 1
1 143 . 6 1 1 A 14 14 ASN N N 14 116.600 117.457 -0.857 1
1 145 . 6 1 1 A 15 15 CYS H H 15 7.440 7.606 -0.166 1
1 146 . 6 1 1 A 15 15 CYS HA H 15 4.510 4.862 -0.352 1
1 149 . 6 1 1 A 15 15 CYS CA C 15 59.100 58.080 1.020 1
1 150 . 6 1 1 A 15 15 CYS CB C 15 30.800 31.569 -0.769 1
1 151 . 6 1 1 A 15 15 CYS N N 15 124.400 122.747 1.653 1
1 152 . 6 1 1 A 16 16 ASP HA H 16 4.460 4.601 -0.141 1
1 155 . 6 1 1 A 16 16 ASP C C 16 178.000 177.742 0.258 1
1 156 . 6 1 1 A 16 16 ASP CA C 16 57.500 55.117 2.383 1
1 157 . 6 1 1 A 16 16 ASP CB C 16 41.400 41.972 -0.572 1
1 158 . 6 1 1 A 17 17 THR H H 17 9.210 7.911 1.299 1
1 159 . 6 1 1 A 17 17 THR HA H 17 4.000 3.906 0.094 1
1 164 . 6 1 1 A 17 17 THR C C 17 176.000 176.802 -0.802 1
1 165 . 6 1 1 A 17 17 THR CA C 17 67.400 66.303 1.097 1
1 166 . 6 1 1 A 17 17 THR CB C 17 68.200 68.654 -0.454 1
1 168 . 6 1 1 A 17 17 THR N N 17 122.200 116.649 5.551 1
1 169 . 6 1 1 A 18 18 MET H H 18 8.940 8.073 0.867 1
1 170 . 6 1 1 A 18 18 MET HA H 18 3.990 4.011 -0.021 1
1 176 . 6 1 1 A 18 18 MET C C 18 178.300 178.616 -0.316 1
1 177 . 6 1 1 A 18 18 MET CA C 18 56.000 58.988 -2.988 1
1 178 . 6 1 1 A 18 18 MET CB C 18 31.400 32.020 -0.620 1
1 181 . 6 1 1 A 18 18 MET N N 18 125.300 118.178 7.122 1
1 182 . 6 1 1 A 19 19 LYS H H 19 8.080 8.128 -0.048 1
1 183 . 6 1 1 A 19 19 LYS HA H 19 3.800 3.979 -0.179 1
1 186 . 6 1 1 A 19 19 LYS CA C 19 60.000 59.497 0.503 1
1 187 . 6 1 1 A 19 19 LYS CB C 19 32.500 32.101 0.399 1
1 191 . 6 1 1 A 19 19 LYS N N 19 117.900 120.976 -3.076 1
1 192 . 6 1 1 A 20 20 LYS H H 20 7.510 8.046 -0.536 1
1 193 . 6 1 1 A 20 20 LYS HA H 20 3.790 4.067 -0.277 1
1 198 . 6 1 1 A 20 20 LYS C C 20 178.500 178.975 -0.475 1
1 199 . 6 1 1 A 20 20 LYS CA C 20 59.500 59.757 -0.257 1
1 200 . 6 1 1 A 20 20 LYS CB C 20 32.800 32.465 0.335 1
1 204 . 6 1 1 A 20 20 LYS N N 20 117.500 118.801 -1.301 1
1 205 . 6 1 1 A 21 21 ALA H H 21 7.730 8.265 -0.535 1
1 206 . 6 1 1 A 21 21 ALA HA H 21 2.540 4.039 -1.499 1
1 210 . 6 1 1 A 21 21 ALA C C 21 178.700 180.012 -1.312 1
1 211 . 6 1 1 A 21 21 ALA CA C 21 54.400 55.291 -0.891 1
1 212 . 6 1 1 A 21 21 ALA CB C 21 19.000 18.326 0.674 1
1 213 . 6 1 1 A 21 21 ALA N N 21 123.600 122.161 1.439 1
1 214 . 6 1 1 A 22 22 ARG H H 22 8.110 8.063 0.047 1
1 215 . 6 1 1 A 22 22 ARG HA H 22 3.490 4.320 -0.830 1
1 222 . 6 1 1 A 22 22 ARG C C 22 178.200 178.859 -0.659 1
1 223 . 6 1 1 A 22 22 ARG CA C 22 60.500 59.428 1.072 1
1 224 . 6 1 1 A 22 22 ARG CB C 22 30.700 29.860 0.840 1
1 227 . 6 1 1 A 22 22 ARG N N 22 116.100 117.842 -1.742 1
1 228 . 6 1 1 A 23 23 ILE H H 23 7.860 8.118 -0.258 1
1 229 . 6 1 1 A 23 23 ILE HA H 23 3.710 3.773 -0.063 1
1 239 . 6 1 1 A 23 23 ILE C C 23 177.200 178.571 -1.371 1
1 240 . 6 1 1 A 23 23 ILE CA C 23 65.000 64.739 0.261 1
1 241 . 6 1 1 A 23 23 ILE CB C 23 38.000 37.447 0.553 1
1 245 . 6 1 1 A 23 23 ILE N N 23 119.400 118.844 0.556 1
1 246 . 6 1 1 A 24 24 TRP H H 24 7.880 8.211 -0.331 1
1 247 . 6 1 1 A 24 24 TRP HA H 24 4.270 4.375 -0.105 1
1 256 . 6 1 1 A 24 24 TRP C C 24 176.100 178.406 -2.306 1
1 257 . 6 1 1 A 24 24 TRP CA C 24 63.100 61.035 2.065 1
1 258 . 6 1 1 A 24 24 TRP CB C 24 30.200 29.755 0.445 1
1 264 . 6 1 1 A 24 24 TRP N N 24 121.000 122.490 -1.490 1
1 266 . 6 1 1 A 25 25 LEU H H 25 8.690 8.924 -0.234 1
1 267 . 6 1 1 A 25 25 LEU HA H 25 4.000 4.064 -0.064 1
1 277 . 6 1 1 A 25 25 LEU C C 25 178.600 179.432 -0.832 1
1 278 . 6 1 1 A 25 25 LEU CA C 25 59.700 58.068 1.632 1
1 279 . 6 1 1 A 25 25 LEU CB C 25 41.200 41.227 -0.027 1
1 283 . 6 1 1 A 25 25 LEU N N 25 121.800 119.534 2.266 1
1 284 . 6 1 1 A 26 26 GLU H H 26 8.580 8.665 -0.085 1
1 285 . 6 1 1 A 26 26 GLU HA H 26 4.200 4.103 0.097 1
1 290 . 6 1 1 A 26 26 GLU C C 26 181.200 178.640 2.560 1
1 291 . 6 1 1 A 26 26 GLU CA C 26 59.500 59.506 -0.006 1
1 292 . 6 1 1 A 26 26 GLU CB C 26 28.800 29.122 -0.322 1
1 294 . 6 1 1 A 26 26 GLU N N 26 120.600 117.851 2.749 1
1 295 . 6 1 1 A 27 27 ASP H H 27 9.360 8.152 1.208 1
1 296 . 6 1 1 A 27 27 ASP HA H 27 4.270 4.366 -0.096 1
1 299 . 6 1 1 A 27 27 ASP C C 27 177.400 178.375 -0.975 1
1 300 . 6 1 1 A 27 27 ASP CA C 27 56.400 57.085 -0.685 1
1 301 . 6 1 1 A 27 27 ASP CB C 27 40.000 40.972 -0.972 1
1 302 . 6 1 1 A 27 27 ASP N N 27 121.800 120.669 1.131 1
1 303 . 6 1 1 A 28 28 HIS H H 28 7.340 7.905 -0.565 1
1 304 . 6 1 1 A 28 28 HIS HA H 28 4.250 4.412 -0.162 1
1 309 . 6 1 1 A 28 28 HIS C C 28 173.600 175.378 -1.778 1
1 310 . 6 1 1 A 28 28 HIS CA C 28 56.700 57.923 -1.223 1
1 311 . 6 1 1 A 28 28 HIS CB C 28 27.500 30.302 -2.802 1
1 314 . 6 1 1 A 28 28 HIS N N 28 113.400 118.457 -5.057 1
1 315 . 6 1 1 A 29 29 GLY H H 29 7.790 7.978 -0.188 1
1 316 . 6 1 1 A 29 29 GLY HA2 H 29 3.870 3.809 0.061 1
1 317 . 6 1 1 A 29 29 GLY HA3 H 29 3.870 3.872 -0.002 1
1 318 . 6 1 1 A 29 29 GLY C C 29 174.200 174.609 -0.409 1
1 319 . 6 1 1 A 29 29 GLY CA C 29 46.900 46.796 0.104 1
1 320 . 6 1 1 A 29 29 GLY N N 29 109.400 107.727 1.673 1
1 321 . 6 1 1 A 30 30 ILE H H 30 8.120 7.968 0.152 1
1 322 . 6 1 1 A 30 30 ILE HA H 30 4.040 4.523 -0.483 1
1 332 . 6 1 1 A 30 30 ILE C C 30 175.500 174.871 0.629 1
1 333 . 6 1 1 A 30 30 ILE CA C 30 60.000 60.055 -0.055 1
1 334 . 6 1 1 A 30 30 ILE CB C 30 38.100 39.587 -1.487 1
1 338 . 6 1 1 A 30 30 ILE N N 30 121.800 120.359 1.441 1
1 339 . 6 1 1 A 31 31 ASP H H 31 8.430 8.513 -0.083 1
1 340 . 6 1 1 A 31 31 ASP HA H 31 4.650 5.226 -0.576 1
1 343 . 6 1 1 A 31 31 ASP C C 31 175.800 175.122 0.678 1
1 344 . 6 1 1 A 31 31 ASP CA C 31 54.600 54.018 0.582 1
1 345 . 6 1 1 A 31 31 ASP CB C 31 41.600 41.676 -0.076 1
1 346 . 6 1 1 A 31 31 ASP N N 31 128.500 126.393 2.107 1
1 347 . 6 1 1 A 32 32 TYR H H 32 7.920 8.765 -0.845 1
1 348 . 6 1 1 A 32 32 TYR HA H 32 5.500 5.429 0.071 1
1 355 . 6 1 1 A 32 32 TYR C C 32 173.800 172.542 1.258 1
1 356 . 6 1 1 A 32 32 TYR CA C 32 56.100 56.642 -0.542 1
1 357 . 6 1 1 A 32 32 TYR CB C 32 41.700 40.850 0.850 1
1 362 . 6 1 1 A 32 32 TYR N N 32 117.500 120.071 -2.571 1
1 363 . 6 1 1 A 33 33 THR H H 33 8.900 8.901 -0.001 1
1 364 . 6 1 1 A 33 33 THR HA H 33 4.470 4.560 -0.090 1
1 369 . 6 1 1 A 33 33 THR C C 33 172.900 173.398 -0.498 1
1 370 . 6 1 1 A 33 33 THR CA C 33 61.800 62.120 -0.320 1
1 371 . 6 1 1 A 33 33 THR CB C 33 70.800 69.657 1.143 1
1 373 . 6 1 1 A 33 33 THR N N 33 117.100 117.495 -0.395 1
1 374 . 6 1 1 A 34 34 PHE H H 34 9.280 8.792 0.488 1
1 375 . 6 1 1 A 34 34 PHE HA H 34 5.520 4.627 0.893 1
1 383 . 6 1 1 A 34 34 PHE CA C 34 53.900 57.188 -3.288 1
1 384 . 6 1 1 A 34 34 PHE CB C 34 39.900 39.268 0.632 1
1 390 . 6 1 1 A 34 34 PHE N N 34 128.200 126.886 1.314 1
1 391 . 6 1 1 A 35 35 HIS H H 35 9.210 8.922 0.288 1
1 392 . 6 1 1 A 35 35 HIS HA H 35 4.240 4.617 -0.377 1
1 397 . 6 1 1 A 35 35 HIS CA C 35 54.900 53.992 0.908 1
1 398 . 6 1 1 A 35 35 HIS CB C 35 30.700 31.683 -0.983 1
1 401 . 6 1 1 A 35 35 HIS N N 35 133.900 125.726 8.174 1
1 402 . 6 1 1 A 36 36 ASP H H 36 7.930 8.161 -0.231 1
1 403 . 6 1 1 A 36 36 ASP HA H 36 4.470 4.866 -0.396 1
1 406 . 6 1 1 A 36 36 ASP C C 36 178.500 176.820 1.680 1
1 407 . 6 1 1 A 36 36 ASP CA C 36 50.900 53.230 -2.330 1
1 408 . 6 1 1 A 36 36 ASP CB C 36 42.200 42.611 -0.411 1
1 409 . 6 1 1 A 36 36 ASP N N 36 127.000 123.878 3.122 1
1 410 . 6 1 1 A 37 37 TYR H H 37 9.290 8.836 0.454 1
1 417 . 6 1 1 A 37 37 TYR C C 37 178.700 178.227 0.473 1
1 418 . 6 1 1 A 37 37 TYR CA C 37 58.700 61.089 -2.389 1
1 419 . 6 1 1 A 37 37 TYR CB C 37 39.100 38.092 1.008 1
1 424 . 6 1 1 A 37 37 TYR N N 37 126.400 124.799 1.601 1
1 425 . 6 1 1 A 38 38 LYS H H 38 8.880 7.878 1.002 1
1 426 . 6 1 1 A 38 38 LYS HA H 38 4.300 3.955 0.345 1
1 429 . 6 1 1 A 38 38 LYS CA C 38 57.700 59.825 -2.125 1
1 430 . 6 1 1 A 38 38 LYS CB C 38 31.600 31.989 -0.389 1
1 434 . 6 1 1 A 38 38 LYS N N 38 115.800 121.370 -5.570 1
1 435 . 6 1 1 A 39 39 LYS H H 39 7.330 7.963 -0.633 1
1 436 . 6 1 1 A 39 39 LYS HA H 39 4.420 3.894 0.526 1
1 443 . 6 1 1 A 39 39 LYS CA C 39 57.500 59.763 -2.263 1
1 444 . 6 1 1 A 39 39 LYS CB C 39 34.600 32.187 2.413 1
1 448 . 6 1 1 A 39 39 LYS N N 39 118.800 119.245 -0.445 1
1 449 . 6 1 1 A 40 40 GLU H H 40 8.570 8.146 0.424 1
1 450 . 6 1 1 A 40 40 GLU HA H 40 4.280 4.198 0.082 1
1 455 . 6 1 1 A 40 40 GLU CA C 40 57.900 57.978 -0.078 1
1 456 . 6 1 1 A 40 40 GLU CB C 40 29.300 30.246 -0.946 1
1 458 . 6 1 1 A 40 40 GLU N N 40 117.600 118.334 -0.734 1
1 459 . 6 1 1 A 41 41 GLY H H 41 7.470 7.717 -0.247 1
1 460 . 6 1 1 A 41 41 GLY HA2 H 41 4.310 3.984 0.326 1
1 461 . 6 1 1 A 41 41 GLY HA3 H 41 4.170 3.991 0.179 1
1 462 . 6 1 1 A 41 41 GLY CA C 41 44.900 45.902 -1.002 1
1 463 . 6 1 1 A 41 41 GLY N N 41 106.300 107.357 -1.057 1
1 464 . 6 1 1 A 42 42 LEU H H 42 8.290 8.461 -0.171 1
1 465 . 6 1 1 A 42 42 LEU HA H 42 4.950 4.851 0.099 1
1 475 . 6 1 1 A 42 42 LEU C C 42 173.800 174.979 -1.179 1
1 476 . 6 1 1 A 42 42 LEU CA C 42 54.500 54.760 -0.260 1
1 477 . 6 1 1 A 42 42 LEU CB C 42 43.400 43.044 0.356 1
1 481 . 6 1 1 A 42 42 LEU N N 42 121.000 124.675 -3.675 1
1 482 . 6 1 1 A 43 43 ASP H H 43 8.520 8.407 0.113 1
1 483 . 6 1 1 A 43 43 ASP HA H 43 4.800 5.077 -0.277 1
1 486 . 6 1 1 A 43 43 ASP C C 43 175.400 176.306 -0.906 1
1 487 . 6 1 1 A 43 43 ASP CA C 43 51.600 51.950 -0.350 1
1 488 . 6 1 1 A 43 43 ASP CB C 43 42.200 44.523 -2.323 1
1 489 . 6 1 1 A 43 43 ASP N N 43 124.800 127.323 -2.523 1
1 490 . 6 1 1 A 44 44 ALA H H 44 8.640 8.686 -0.046 1
1 491 . 6 1 1 A 44 44 ALA HA H 44 3.780 4.078 -0.298 1
1 495 . 6 1 1 A 44 44 ALA C C 44 178.100 179.678 -1.578 1
1 496 . 6 1 1 A 44 44 ALA CA C 44 55.400 55.465 -0.065 1
1 497 . 6 1 1 A 44 44 ALA CB C 44 18.100 18.185 -0.085 1
1 498 . 6 1 1 A 44 44 ALA N N 44 122.400 125.506 -3.106 1
1 499 . 6 1 1 A 45 45 GLU H H 45 8.240 8.100 0.140 1
1 500 . 6 1 1 A 45 45 GLU HA H 45 3.920 4.039 -0.119 1
1 505 . 6 1 1 A 45 45 GLU C C 45 179.300 179.000 0.300 1
1 506 . 6 1 1 A 45 45 GLU CA C 45 59.800 59.429 0.371 1
1 507 . 6 1 1 A 45 45 GLU CB C 45 29.200 29.597 -0.397 1
1 509 . 6 1 1 A 45 45 GLU N N 45 115.600 119.662 -4.062 1
1 510 . 6 1 1 A 46 46 THR H H 46 7.910 8.074 -0.164 1
1 511 . 6 1 1 A 46 46 THR HA H 46 3.500 3.916 -0.416 1
1 516 . 6 1 1 A 46 46 THR C C 46 174.300 176.294 -1.994 1
1 517 . 6 1 1 A 46 46 THR CA C 46 66.600 67.644 -1.044 1
1 518 . 6 1 1 A 46 46 THR CB C 46 67.700 68.350 -0.650 1
1 520 . 6 1 1 A 46 46 THR N N 46 117.700 116.665 1.035 1
1 521 . 6 1 1 A 47 47 LEU H H 47 7.710 8.266 -0.556 1
1 522 . 6 1 1 A 47 47 LEU HA H 47 3.510 4.086 -0.576 1
1 532 . 6 1 1 A 47 47 LEU C C 47 178.000 178.022 -0.022 1
1 533 . 6 1 1 A 47 47 LEU CA C 47 57.900 58.547 -0.647 1
1 534 . 6 1 1 A 47 47 LEU CB C 47 41.500 41.300 0.200 1
1 538 . 6 1 1 A 47 47 LEU N N 47 120.400 121.386 -0.986 1
1 539 . 6 1 1 A 48 48 ASP H H 48 9.000 8.538 0.462 1
1 540 . 6 1 1 A 48 48 ASP HA H 48 4.490 4.258 0.232 1
1 543 . 6 1 1 A 48 48 ASP C C 48 179.100 178.627 0.473 1
1 544 . 6 1 1 A 48 48 ASP CA C 48 57.500 57.903 -0.403 1
1 545 . 6 1 1 A 48 48 ASP CB C 48 39.100 42.002 -2.902 1
1 546 . 6 1 1 A 48 48 ASP N N 48 116.800 118.732 -1.932 1
1 547 . 6 1 1 A 49 49 ARG H H 49 7.560 8.002 -0.442 1
1 548 . 6 1 1 A 49 49 ARG HA H 49 4.110 3.998 0.112 1
1 555 . 6 1 1 A 49 49 ARG C C 49 180.100 179.085 1.015 1
1 556 . 6 1 1 A 49 49 ARG CA C 49 60.300 59.579 0.721 1
1 557 . 6 1 1 A 49 49 ARG CB C 49 29.600 29.690 -0.090 1
1 560 . 6 1 1 A 49 49 ARG N N 49 122.100 118.835 3.265 1
1 561 . 6 1 1 A 50 50 PHE H H 50 8.300 8.115 0.185 1
1 562 . 6 1 1 A 50 50 PHE HA H 50 4.550 4.300 0.250 1
1 569 . 6 1 1 A 50 50 PHE C C 50 178.400 178.311 0.089 1
1 570 . 6 1 1 A 50 50 PHE CA C 50 57.500 61.002 -3.502 1
1 571 . 6 1 1 A 50 50 PHE CB C 50 36.900 38.466 -1.566 1
1 576 . 6 1 1 A 50 50 PHE N N 50 122.100 119.612 2.488 1
1 577 . 6 1 1 A 51 51 LEU H H 51 8.460 8.410 0.050 1
1 587 . 6 1 1 A 51 51 LEU CA C 51 55.920 57.880 -1.960 1
1 588 . 6 1 1 A 51 51 LEU CB C 51 42.400 41.553 0.847 1
1 592 . 6 1 1 A 51 51 LEU N N 51 117.000 120.693 -3.693 1
1 593 . 6 1 1 A 52 52 LYS H H 52 7.660 8.241 -0.581 1
1 594 . 6 1 1 A 52 52 LYS HA H 52 4.180 3.982 0.198 1
1 603 . 6 1 1 A 52 52 LYS C C 52 178.300 179.291 -0.991 1
1 604 . 6 1 1 A 52 52 LYS CA C 52 58.700 59.377 -0.677 1
1 605 . 6 1 1 A 52 52 LYS CB C 52 32.700 32.307 0.393 1
1 609 . 6 1 1 A 52 52 LYS N N 52 119.100 119.226 -0.126 1
1 610 . 6 1 1 A 53 53 THR H H 53 7.430 7.408 0.022 1
1 611 . 6 1 1 A 53 53 THR HA H 53 4.570 4.286 0.284 1
1 616 . 6 1 1 A 53 53 THR C C 53 173.800 174.466 -0.666 1
1 617 . 6 1 1 A 53 53 THR CA C 53 62.600 64.673 -2.073 1
1 618 . 6 1 1 A 53 53 THR CB C 53 70.800 69.866 0.934 1
1 620 . 6 1 1 A 53 53 THR N N 53 107.400 110.914 -3.514 1
1 621 . 6 1 1 A 54 54 VAL H H 54 8.500 8.150 0.350 1
1 622 . 6 1 1 A 54 54 VAL HA H 54 4.540 4.582 -0.042 1
1 630 . 6 1 1 A 54 54 VAL C C 54 179.400 173.565 5.835 1
1 631 . 6 1 1 A 54 54 VAL CA C 54 59.100 58.894 0.206 1
1 632 . 6 1 1 A 54 54 VAL CB C 54 33.500 35.158 -1.658 1
1 635 . 6 1 1 A 54 54 VAL N N 54 125.200 119.375 5.825 1
1 636 . 6 1 1 A 55 55 PRO HA H 55 4.590 4.560 0.030 1
1 643 . 6 1 1 A 55 55 PRO C C 55 179.400 177.645 1.755 1
1 644 . 6 1 1 A 55 55 PRO CA C 55 62.100 62.717 -0.617 1
1 645 . 6 1 1 A 55 55 PRO CB C 55 32.900 32.178 0.722 1
1 648 . 6 1 1 A 56 56 TRP H H 56 8.690 8.615 0.075 1
1 649 . 6 1 1 A 56 56 TRP HA H 56 3.990 4.316 -0.326 1
1 657 . 6 1 1 A 56 56 TRP C C 56 177.500 177.980 -0.480 1
1 658 . 6 1 1 A 56 56 TRP CA C 56 61.000 60.156 0.844 1
1 659 . 6 1 1 A 56 56 TRP CB C 56 27.400 28.797 -1.397 1
1 664 . 6 1 1 A 56 56 TRP N N 56 122.500 125.404 -2.904 1
1 666 . 6 1 1 A 57 57 GLU H H 57 8.410 7.954 0.456 1
1 667 . 6 1 1 A 57 57 GLU HA H 57 3.270 3.950 -0.680 1
1 672 . 6 1 1 A 57 57 GLU C C 57 178.000 177.013 0.987 1
1 673 . 6 1 1 A 57 57 GLU CA C 57 60.200 58.708 1.492 1
1 674 . 6 1 1 A 57 57 GLU CB C 57 28.200 28.439 -0.239 1
1 676 . 6 1 1 A 57 57 GLU N N 57 120.600 118.749 1.851 1
1 677 . 6 1 1 A 58 58 GLN H H 58 7.600 7.731 -0.131 1
1 678 . 6 1 1 A 58 58 GLN HA H 58 4.170 4.597 -0.427 1
1 683 . 6 1 1 A 58 58 GLN C C 58 175.500 176.245 -0.745 1
1 684 . 6 1 1 A 58 58 GLN CA C 58 56.000 54.589 1.411 1
1 685 . 6 1 1 A 58 58 GLN CB C 58 29.600 29.033 0.567 1
1 687 . 6 1 1 A 58 58 GLN N N 58 114.700 118.204 -3.504 1
1 688 . 6 1 1 A 59 59 LEU H H 59 7.440 8.208 -0.768 1
1 689 . 6 1 1 A 59 59 LEU HA H 59 4.220 4.604 -0.384 1
1 699 . 6 1 1 A 59 59 LEU C C 59 175.100 176.283 -1.183 1
1 700 . 6 1 1 A 59 59 LEU CA C 59 55.600 55.639 -0.039 1
1 701 . 6 1 1 A 59 59 LEU CB C 59 44.700 44.589 0.111 1
1 705 . 6 1 1 A 59 59 LEU N N 59 119.500 120.595 -1.095 1
1 706 . 6 1 1 A 60 60 LEU H H 60 8.120 7.076 1.044 1
1 707 . 6 1 1 A 60 60 LEU HA H 60 4.410 4.990 -0.580 1
1 717 . 6 1 1 A 60 60 LEU C C 60 176.100 176.060 0.040 1
1 718 . 6 1 1 A 60 60 LEU CA C 60 55.400 52.686 2.714 1
1 719 . 6 1 1 A 60 60 LEU CB C 60 42.900 44.857 -1.957 1
1 723 . 6 1 1 A 60 60 LEU N N 60 119.300 115.332 3.968 1
1 724 . 6 1 1 A 61 61 ASN H H 61 9.120 8.193 0.927 1
1 729 . 6 1 1 A 61 61 ASN C C 61 175.600 174.803 0.797 1
1 730 . 6 1 1 A 61 61 ASN CA C 61 51.300 53.846 -2.546 1
1 731 . 6 1 1 A 61 61 ASN CB C 61 36.800 38.941 -2.141 1
1 732 . 6 1 1 A 61 61 ASN N N 61 124.900 117.403 7.497 1
1 734 . 6 1 1 A 62 62 ARG H H 62 8.140 8.796 -0.656 1
1 735 . 6 1 1 A 62 62 ARG HA H 62 3.450 4.109 -0.659 1
1 742 . 6 1 1 A 62 62 ARG C C 62 175.200 177.476 -2.276 1
1 743 . 6 1 1 A 62 62 ARG CA C 62 57.600 57.435 0.165 1
1 744 . 6 1 1 A 62 62 ARG CB C 62 30.200 31.489 -1.289 1
1 747 . 6 1 1 A 62 62 ARG N N 62 125.500 120.930 4.570 1
1 748 . 6 1 1 A 63 63 ALA H H 63 7.610 7.374 0.236 1
1 749 . 6 1 1 A 63 63 ALA HA H 63 4.460 4.280 0.180 1
1 753 . 6 1 1 A 63 63 ALA C C 63 178.300 178.131 0.169 1
1 754 . 6 1 1 A 63 63 ALA CA C 63 51.800 52.489 -0.689 1
1 755 . 6 1 1 A 63 63 ALA CB C 63 19.300 19.821 -0.521 1
1 756 . 6 1 1 A 63 63 ALA N N 63 118.600 120.168 -1.568 1
1 757 . 6 1 1 A 64 64 GLY H H 64 7.150 8.147 -0.997 1
1 758 . 6 1 1 A 64 64 GLY HA2 H 64 4.410 3.996 0.414 1
1 759 . 6 1 1 A 64 64 GLY HA3 H 64 4.020 4.007 0.013 1
1 760 . 6 1 1 A 64 64 GLY C C 64 173.500 175.588 -2.088 1
1 761 . 6 1 1 A 64 64 GLY CA C 64 45.400 45.677 -0.277 1
1 762 . 6 1 1 A 64 64 GLY N N 64 105.700 106.029 -0.329 1
1 763 . 6 1 1 A 65 65 THR H H 65 8.340 8.893 -0.553 1
1 764 . 6 1 1 A 65 65 THR HA H 65 3.880 4.022 -0.142 1
1 769 . 6 1 1 A 65 65 THR C C 65 176.300 176.209 0.091 1
1 770 . 6 1 1 A 65 65 THR CA C 65 65.500 65.515 -0.015 1
1 771 . 6 1 1 A 65 65 THR CB C 65 69.000 68.315 0.685 1
1 773 . 6 1 1 A 65 65 THR N N 65 113.400 117.544 -4.144 1
1 774 . 6 1 1 A 66 66 THR H H 66 7.940 7.999 -0.059 1
1 775 . 6 1 1 A 66 66 THR HA H 66 3.820 3.891 -0.071 1
1 780 . 6 1 1 A 66 66 THR C C 66 176.100 176.373 -0.273 1
1 781 . 6 1 1 A 66 66 THR CA C 66 67.000 66.818 0.182 1
1 782 . 6 1 1 A 66 66 THR CB C 66 68.000 69.122 -1.122 1
1 784 . 6 1 1 A 66 66 THR N N 66 116.200 116.042 0.158 1
1 785 . 6 1 1 A 67 67 PHE H H 67 8.720 7.820 0.900 1
1 786 . 6 1 1 A 67 67 PHE HA H 67 4.130 4.198 -0.068 1
1 793 . 6 1 1 A 67 67 PHE C C 67 176.900 177.519 -0.619 1
1 794 . 6 1 1 A 67 67 PHE CA C 67 61.500 60.665 0.835 1
1 795 . 6 1 1 A 67 67 PHE CB C 67 39.800 39.035 0.765 1
1 800 . 6 1 1 A 67 67 PHE N N 67 122.400 121.589 0.811 1
1 801 . 6 1 1 A 68 68 ARG H H 68 7.750 7.761 -0.011 1
1 802 . 6 1 1 A 68 68 ARG HA H 68 3.790 4.365 -0.575 1
1 809 . 6 1 1 A 68 68 ARG C C 68 176.800 178.616 -1.816 1
1 810 . 6 1 1 A 68 68 ARG CA C 68 59.200 58.348 0.852 1
1 811 . 6 1 1 A 68 68 ARG CB C 68 30.200 30.365 -0.165 1
1 814 . 6 1 1 A 68 68 ARG N N 68 114.400 118.133 -3.733 1
1 815 . 6 1 1 A 69 69 LYS H H 69 7.360 7.870 -0.510 1
1 816 . 6 1 1 A 69 69 LYS HA H 69 4.190 4.038 0.152 1
1 819 . 6 1 1 A 69 69 LYS C C 69 177.400 177.416 -0.016 1
1 820 . 6 1 1 A 69 69 LYS CA C 69 56.700 59.480 -2.780 1
1 821 . 6 1 1 A 69 69 LYS CB C 69 33.000 32.305 0.695 1
1 825 . 6 1 1 A 69 69 LYS N N 69 115.600 119.653 -4.053 1
1 826 . 6 1 1 A 70 70 LEU H H 70 7.440 7.877 -0.437 1
1 827 . 6 1 1 A 70 70 LEU HA H 70 4.350 4.347 0.003 1
1 830 . 6 1 1 A 70 70 LEU CA C 70 53.800 53.480 0.320 1
1 831 . 6 1 1 A 70 70 LEU CB C 70 41.000 40.665 0.335 1
1 832 . 6 1 1 A 70 70 LEU N N 70 121.400 120.742 0.658 1
1 833 . 6 1 1 A 71 71 PRO HA H 71 4.460 4.493 -0.033 1
1 840 . 6 1 1 A 71 71 PRO C C 71 177.500 176.652 0.848 1
1 841 . 6 1 1 A 71 71 PRO CA C 71 62.800 62.265 0.535 1
1 842 . 6 1 1 A 71 71 PRO CB C 71 32.600 33.289 -0.689 1
1 845 . 6 1 1 A 72 72 GLU H H 72 9.010 9.036 -0.026 1
1 846 . 6 1 1 A 72 72 GLU HA H 72 3.650 3.977 -0.327 1
1 851 . 6 1 1 A 72 72 GLU C C 72 177.600 178.013 -0.413 1
1 852 . 6 1 1 A 72 72 GLU CA C 72 60.500 59.636 0.864 1
1 853 . 6 1 1 A 72 72 GLU CB C 72 29.900 29.259 0.641 1
1 855 . 6 1 1 A 72 72 GLU N N 72 124.100 121.358 2.742 1
1 856 . 6 1 1 A 73 73 ASP H H 73 8.860 7.946 0.914 1
1 857 . 6 1 1 A 73 73 ASP HA H 73 4.290 4.429 -0.139 1
1 860 . 6 1 1 A 73 73 ASP C C 73 177.600 178.811 -1.211 1
1 861 . 6 1 1 A 73 73 ASP CA C 73 56.700 57.186 -0.486 1
1 862 . 6 1 1 A 73 73 ASP CB C 73 39.300 41.136 -1.836 1
1 863 . 6 1 1 A 73 73 ASP N N 73 116.200 119.248 -3.048 1
1 864 . 6 1 1 A 74 74 VAL H H 74 7.120 7.832 -0.712 1
1 865 . 6 1 1 A 74 74 VAL HA H 74 3.740 3.519 0.221 1
1 873 . 6 1 1 A 74 74 VAL C C 74 178.200 177.799 0.401 1
1 874 . 6 1 1 A 74 74 VAL CA C 74 65.000 66.498 -1.498 1
1 875 . 6 1 1 A 74 74 VAL CB C 74 32.100 31.430 0.670 1
1 878 . 6 1 1 A 74 74 VAL N N 74 120.400 120.385 0.015 1
1 879 . 6 1 1 A 75 75 ARG H H 75 7.700 8.016 -0.316 1
1 880 . 6 1 1 A 75 75 ARG HA H 75 3.790 3.866 -0.076 1
1 887 . 6 1 1 A 75 75 ARG C C 75 178.500 177.114 1.386 1
1 888 . 6 1 1 A 75 75 ARG CA C 75 59.600 58.963 0.637 1
1 889 . 6 1 1 A 75 75 ARG CB C 75 31.100 29.815 1.285 1
1 892 . 6 1 1 A 75 75 ARG N N 75 115.900 119.780 -3.880 1
1 893 . 6 1 1 A 76 76 SER H H 76 8.260 7.553 0.707 1
1 894 . 6 1 1 A 76 76 SER HA H 76 4.380 4.559 -0.179 1
1 897 . 6 1 1 A 76 76 SER C C 76 174.700 175.579 -0.879 1
1 898 . 6 1 1 A 76 76 SER CA C 76 60.500 59.445 1.055 1
1 899 . 6 1 1 A 76 76 SER CB C 76 63.500 63.980 -0.480 1
1 900 . 6 1 1 A 76 76 SER N N 76 111.800 114.696 -2.896 1
1 901 . 6 1 1 A 77 77 ASN H H 77 7.380 7.762 -0.382 1
1 902 . 6 1 1 A 77 77 ASN HA H 77 5.010 4.910 0.100 1
1 907 . 6 1 1 A 77 77 ASN C C 77 174.300 174.141 0.159 1
1 908 . 6 1 1 A 77 77 ASN CA C 77 52.600 52.810 -0.210 1
1 909 . 6 1 1 A 77 77 ASN CB C 77 39.800 38.641 1.159 1
1 910 . 6 1 1 A 77 77 ASN N N 77 118.000 117.154 0.846 1
1 912 . 6 1 1 A 78 78 VAL H H 78 7.300 7.562 -0.262 1
1 913 . 6 1 1 A 78 78 VAL HA H 78 3.850 4.429 -0.579 1
1 921 . 6 1 1 A 78 78 VAL C C 78 173.200 174.433 -1.233 1
1 922 . 6 1 1 A 78 78 VAL CA C 78 63.600 60.718 2.882 1
1 923 . 6 1 1 A 78 78 VAL CB C 78 32.100 33.097 -0.997 1
1 926 . 6 1 1 A 78 78 VAL N N 78 121.200 120.713 0.487 1
1 927 . 6 1 1 A 79 79 ASP H H 79 7.660 8.202 -0.542 1
1 928 . 6 1 1 A 79 79 ASP HA H 79 4.380 4.909 -0.529 1
1 931 . 6 1 1 A 79 79 ASP C C 79 173.700 175.706 -2.006 1
1 932 . 6 1 1 A 79 79 ASP CA C 79 51.500 51.764 -0.264 1
1 933 . 6 1 1 A 79 79 ASP CB C 79 41.800 43.285 -1.485 1
1 934 . 6 1 1 A 79 79 ASP N N 79 127.000 127.765 -0.765 1
1 935 . 6 1 1 A 80 80 ALA H H 80 8.110 8.673 -0.563 1
1 936 . 6 1 1 A 80 80 ALA HA H 80 2.420 3.668 -1.248 1
1 940 . 6 1 1 A 80 80 ALA C C 80 178.700 179.805 -1.105 1
1 941 . 6 1 1 A 80 80 ALA CA C 80 55.600 55.377 0.223 1
1 942 . 6 1 1 A 80 80 ALA CB C 80 18.600 18.513 0.087 1
1 943 . 6 1 1 A 80 80 ALA N N 80 119.900 122.003 -2.103 1
1 944 . 6 1 1 A 81 81 ALA H H 81 7.760 8.145 -0.385 1
1 945 . 6 1 1 A 81 81 ALA HA H 81 4.030 3.923 0.107 1
1 949 . 6 1 1 A 81 81 ALA C C 81 180.700 179.745 0.955 1
1 950 . 6 1 1 A 81 81 ALA CA C 81 54.800 55.247 -0.447 1
1 951 . 6 1 1 A 81 81 ALA CB C 81 18.300 18.678 -0.378 1
1 952 . 6 1 1 A 81 81 ALA N N 81 118.500 120.305 -1.805 1
1 953 . 6 1 1 A 82 82 SER H H 82 8.480 8.037 0.443 1
1 954 . 6 1 1 A 82 82 SER HA H 82 4.240 3.975 0.265 1
1 957 . 6 1 1 A 82 82 SER C C 82 177.200 176.875 0.325 1
1 958 . 6 1 1 A 82 82 SER CA C 82 60.300 61.352 -1.052 1
1 959 . 6 1 1 A 82 82 SER CB C 82 62.700 62.754 -0.054 1
1 960 . 6 1 1 A 82 82 SER N N 82 115.300 112.558 2.742 1
1 961 . 6 1 1 A 83 83 ALA H H 83 8.970 8.226 0.744 1
1 962 . 6 1 1 A 83 83 ALA HA H 83 3.820 3.857 -0.037 1
1 966 . 6 1 1 A 83 83 ALA C C 83 178.600 180.006 -1.406 1
1 967 . 6 1 1 A 83 83 ALA CA C 83 55.600 55.143 0.457 1
1 968 . 6 1 1 A 83 83 ALA CB C 83 19.400 18.013 1.387 1
1 969 . 6 1 1 A 83 83 ALA N N 83 124.700 122.359 2.341 1
1 970 . 6 1 1 A 84 84 ARG H H 84 7.250 8.170 -0.920 1
1 971 . 6 1 1 A 84 84 ARG HA H 84 3.740 4.097 -0.357 1
1 978 . 6 1 1 A 84 84 ARG C C 84 176.600 178.928 -2.328 1
1 979 . 6 1 1 A 84 84 ARG CA C 84 60.100 59.561 0.539 1
1 980 . 6 1 1 A 84 84 ARG CB C 84 29.900 29.835 0.065 1
1 983 . 6 1 1 A 84 84 ARG N N 84 116.500 117.490 -0.990 1
1 984 . 6 1 1 A 85 85 GLU H H 85 7.240 7.954 -0.714 1
1 985 . 6 1 1 A 85 85 GLU HA H 85 3.890 4.053 -0.163 1
1 990 . 6 1 1 A 85 85 GLU C C 85 179.800 179.674 0.126 1
1 991 . 6 1 1 A 85 85 GLU CA C 85 59.200 58.787 0.413 1
1 992 . 6 1 1 A 85 85 GLU CB C 85 29.300 29.858 -0.558 1
1 994 . 6 1 1 A 85 85 GLU N N 85 115.600 120.247 -4.647 1
1 995 . 6 1 1 A 86 86 LEU H H 86 8.620 8.596 0.024 1
1 996 . 6 1 1 A 86 86 LEU HA H 86 4.030 4.021 0.009 1
1 1006 . 6 1 1 A 86 86 LEU C C 86 178.600 179.108 -0.508 1
1 1007 . 6 1 1 A 86 86 LEU CA C 86 58.100 57.735 0.365 1
1 1008 . 6 1 1 A 86 86 LEU CB C 86 42.200 41.551 0.649 1
1 1012 . 6 1 1 A 86 86 LEU N N 86 120.800 120.520 0.280 1
1 1013 . 6 1 1 A 87 87 MET H H 87 7.840 8.033 -0.193 1
1 1014 . 6 1 1 A 87 87 MET HA H 87 3.680 4.186 -0.506 1
1 1022 . 6 1 1 A 87 87 MET C C 87 175.600 178.357 -2.757 1
1 1023 . 6 1 1 A 87 87 MET CA C 87 60.000 58.657 1.343 1
1 1024 . 6 1 1 A 87 87 MET CB C 87 34.300 31.985 2.315 1
1 1027 . 6 1 1 A 87 87 MET N N 87 116.700 115.724 0.976 1
1 1028 . 6 1 1 A 88 88 LEU H H 88 7.490 8.228 -0.738 1
1 1029 . 6 1 1 A 88 88 LEU HA H 88 3.890 4.025 -0.135 1
1 1039 . 6 1 1 A 88 88 LEU C C 88 179.200 178.190 1.010 1
1 1040 . 6 1 1 A 88 88 LEU CA C 88 57.000 58.214 -1.214 1
1 1041 . 6 1 1 A 88 88 LEU CB C 88 41.800 41.954 -0.154 1
1 1045 . 6 1 1 A 88 88 LEU N N 88 113.400 121.816 -8.416 1
1 1046 . 6 1 1 A 89 89 ALA H H 89 7.690 7.884 -0.194 1
1 1047 . 6 1 1 A 89 89 ALA HA H 89 4.210 4.123 0.087 1
1 1051 . 6 1 1 A 89 89 ALA C C 89 179.100 177.685 1.415 1
1 1052 . 6 1 1 A 89 89 ALA CA C 89 54.100 53.996 0.104 1
1 1053 . 6 1 1 A 89 89 ALA CB C 89 19.200 18.545 0.655 1
1 1054 . 6 1 1 A 89 89 ALA N N 89 119.100 120.024 -0.924 1
1 1055 . 6 1 1 A 90 90 GLN H H 90 8.100 7.640 0.460 1
1 1062 . 6 1 1 A 90 90 GLN CA C 90 53.400 53.494 -0.094 1
1 1063 . 6 1 1 A 90 90 GLN CB C 90 30.900 29.352 1.548 1
1 1064 . 6 1 1 A 90 90 GLN N N 90 115.100 116.277 -1.177 1
1 1066 . 6 1 1 A 91 91 PRO HA H 91 4.530 4.506 0.024 1
1 1073 . 6 1 1 A 91 91 PRO C C 91 178.300 177.131 1.169 1
1 1074 . 6 1 1 A 91 91 PRO CA C 91 64.300 64.034 0.266 1
1 1075 . 6 1 1 A 91 91 PRO CB C 91 31.800 31.647 0.153 1
1 1078 . 6 1 1 A 92 92 SER H H 92 8.510 8.176 0.334 1
1 1079 . 6 1 1 A 92 92 SER HA H 92 4.310 4.255 0.055 1
1 1082 . 6 1 1 A 92 92 SER C C 92 174.200 175.778 -1.578 1
1 1083 . 6 1 1 A 92 92 SER CA C 92 62.000 60.884 1.116 1
1 1084 . 6 1 1 A 92 92 SER CB C 92 62.500 62.574 -0.074 1
1 1085 . 6 1 1 A 92 92 SER N N 92 115.000 114.139 0.861 1
1 1086 . 6 1 1 A 93 93 MET H H 93 8.790 7.511 1.279 1
1 1087 . 6 1 1 A 93 93 MET HA H 93 4.560 4.518 0.042 1
1 1092 . 6 1 1 A 93 93 MET C C 93 174.900 176.514 -1.614 1
1 1093 . 6 1 1 A 93 93 MET CA C 93 56.900 56.499 0.401 1
1 1094 . 6 1 1 A 93 93 MET CB C 93 35.000 33.081 1.919 1
1 1096 . 6 1 1 A 93 93 MET N N 93 118.400 118.609 -0.209 1
1 1097 . 6 1 1 A 94 94 VAL H H 94 7.540 7.445 0.095 1
1 1098 . 6 1 1 A 94 94 VAL HA H 94 4.080 3.895 0.185 1
1 1106 . 6 1 1 A 94 94 VAL C C 94 178.000 176.523 1.477 1
1 1107 . 6 1 1 A 94 94 VAL CA C 94 63.100 63.163 -0.063 1
1 1108 . 6 1 1 A 94 94 VAL CB C 94 31.700 31.820 -0.120 1
1 1111 . 6 1 1 A 94 94 VAL N N 94 121.000 121.392 -0.392 1
1 1112 . 6 1 1 A 95 95 LYS H H 95 9.550 8.854 0.696 1
1 1113 . 6 1 1 A 95 95 LYS HA H 95 3.940 4.412 -0.472 1
1 1116 . 6 1 1 A 95 95 LYS CA C 95 58.800 57.105 1.695 1
1 1117 . 6 1 1 A 95 95 LYS CB C 95 33.500 33.511 -0.011 1
1 1121 . 6 1 1 A 95 95 LYS N N 95 131.200 125.935 5.265 1
1 1122 . 6 1 1 A 96 96 ARG H H 96 8.260 8.714 -0.454 1
1 1125 . 6 1 1 A 96 96 ARG CA C 96 52.700 54.643 -1.943 1
1 1126 . 6 1 1 A 96 96 ARG CB C 96 34.400 32.559 1.841 1
1 1127 . 6 1 1 A 96 96 ARG N N 96 117.100 118.900 -1.800 1
1 1134 . 6 1 1 A 97 97 PRO C C 97 176.600 175.306 1.294 1
1 1135 . 6 1 1 A 97 97 PRO CA C 97 62.400 62.449 -0.049 1
1 1136 . 6 1 1 A 97 97 PRO CB C 97 34.700 32.602 2.098 1
1 1139 . 6 1 1 A 98 98 VAL H H 98 7.540 8.232 -0.692 1
1 1140 . 6 1 1 A 98 98 VAL HA H 98 4.460 4.851 -0.391 1
1 1148 . 6 1 1 A 98 98 VAL C C 98 173.500 174.521 -1.021 1
1 1149 . 6 1 1 A 98 98 VAL CA C 98 64.000 60.571 3.429 1
1 1150 . 6 1 1 A 98 98 VAL CB C 98 33.600 34.736 -1.136 1
1 1153 . 6 1 1 A 98 98 VAL N N 98 117.800 121.104 -3.304 1
1 1154 . 6 1 1 A 99 99 LEU H H 99 9.030 9.305 -0.275 1
1 1155 . 6 1 1 A 99 99 LEU HA H 99 5.410 5.237 0.173 1
1 1165 . 6 1 1 A 99 99 LEU C C 99 173.800 174.805 -1.005 1
1 1166 . 6 1 1 A 99 99 LEU CA C 99 54.300 52.528 1.772 1
1 1167 . 6 1 1 A 99 99 LEU CB C 99 45.800 43.261 2.539 1
1 1171 . 6 1 1 A 99 99 LEU N N 99 131.400 126.976 4.424 1
1 1172 . 6 1 1 A 100 100 GLU H H 100 9.390 9.268 0.122 1
1 1173 . 6 1 1 A 100 100 GLU HA H 100 5.050 5.447 -0.397 1
1 1178 . 6 1 1 A 100 100 GLU C C 100 174.200 175.115 -0.915 1
1 1179 . 6 1 1 A 100 100 GLU CA C 100 55.300 55.264 0.036 1
1 1180 . 6 1 1 A 100 100 GLU CB C 100 35.600 32.255 3.345 1
1 1182 . 6 1 1 A 100 100 GLU N N 100 125.800 125.892 -0.092 1
1 1183 . 6 1 1 A 101 101 ARG H H 101 7.610 8.973 -1.363 1
1 1184 . 6 1 1 A 101 101 ARG C C 101 175.900 175.189 0.711 1
1 1185 . 6 1 1 A 101 101 ARG CA C 101 56.700 55.613 1.087 1
1 1186 . 6 1 1 A 101 101 ARG CB C 101 32.500 32.536 -0.036 1
1 1189 . 6 1 1 A 101 101 ARG N N 101 125.100 127.196 -2.096 1
1 1190 . 6 1 1 A 102 102 ASP H H 102 10.080 9.404 0.676 1
1 1191 . 6 1 1 A 102 102 ASP HA H 102 4.450 4.295 0.155 1
1 1194 . 6 1 1 A 102 102 ASP C C 102 175.700 175.143 0.557 1
1 1195 . 6 1 1 A 102 102 ASP CA C 102 55.300 55.075 0.225 1
1 1196 . 6 1 1 A 102 102 ASP CB C 102 40.500 39.801 0.699 1
1 1197 . 6 1 1 A 102 102 ASP N N 102 132.000 127.079 4.921 1
1 1198 . 6 1 1 A 103 103 GLY H H 103 8.870 8.301 0.569 1
1 1199 . 6 1 1 A 103 103 GLY HA2 H 103 4.120 3.993 0.127 1
1 1200 . 6 1 1 A 103 103 GLY HA3 H 103 3.830 3.999 -0.169 1
1 1201 . 6 1 1 A 103 103 GLY C C 103 174.000 174.472 -0.472 1
1 1202 . 6 1 1 A 103 103 GLY CA C 103 45.600 45.133 0.467 1
1 1203 . 6 1 1 A 103 103 GLY N N 103 102.900 104.572 -1.672 1
1 1204 . 6 1 1 A 104 104 LYS H H 104 8.130 7.748 0.382 1
1 1205 . 6 1 1 A 104 104 LYS HA H 104 4.650 4.334 0.316 1
1 1208 . 6 1 1 A 104 104 LYS C C 104 176.500 175.468 1.032 1
1 1209 . 6 1 1 A 104 104 LYS CA C 104 55.500 56.941 -1.441 1
1 1210 . 6 1 1 A 104 104 LYS CB C 104 32.600 33.723 -1.123 1
1 1214 . 6 1 1 A 104 104 LYS N N 104 122.400 120.901 1.499 1
1 1215 . 6 1 1 A 105 105 LEU H H 105 8.920 8.960 -0.040 1
1 1216 . 6 1 1 A 105 105 LEU HA H 105 5.420 5.211 0.209 1
1 1226 . 6 1 1 A 105 105 LEU C C 105 177.200 174.957 2.243 1
1 1227 . 6 1 1 A 105 105 LEU CA C 105 54.300 53.790 0.510 1
1 1228 . 6 1 1 A 105 105 LEU CB C 105 45.400 44.866 0.534 1
1 1232 . 6 1 1 A 105 105 LEU N N 105 129.200 126.540 2.660 1
1 1233 . 6 1 1 A 106 106 MET H H 106 8.860 9.050 -0.190 1
1 1234 . 6 1 1 A 106 106 MET HA H 106 4.580 5.249 -0.669 1
1 1239 . 6 1 1 A 106 106 MET C C 106 174.500 175.051 -0.551 1
1 1240 . 6 1 1 A 106 106 MET CA C 106 55.300 53.861 1.439 1
1 1241 . 6 1 1 A 106 106 MET CB C 106 36.500 34.485 2.015 1
1 1243 . 6 1 1 A 106 106 MET N N 106 121.500 126.318 -4.818 1
1 1244 . 6 1 1 A 107 107 VAL H H 107 9.180 8.547 0.633 1
1 1245 . 6 1 1 A 107 107 VAL HA H 107 4.690 4.368 0.322 1
1 1253 . 6 1 1 A 107 107 VAL C C 107 176.200 175.935 0.265 1
1 1254 . 6 1 1 A 107 107 VAL CA C 107 61.400 60.821 0.579 1
1 1255 . 6 1 1 A 107 107 VAL CB C 107 33.400 33.292 0.108 1
1 1258 . 6 1 1 A 107 107 VAL N N 107 129.500 122.597 6.903 1
1 1259 . 6 1 1 A 108 108 GLY H H 108 8.730 8.477 0.253 1
1 1260 . 6 1 1 A 108 108 GLY HA2 H 108 4.430 3.741 0.689 1
1 1261 . 6 1 1 A 108 108 GLY HA3 H 108 3.850 3.803 0.047 1
1 1262 . 6 1 1 A 108 108 GLY CA C 108 43.800 45.534 -1.734 1
1 1263 . 6 1 1 A 108 108 GLY N N 108 113.600 112.883 0.717 1
1 1271 . 6 1 1 A 109 109 PHE C C 109 172.700 175.409 -2.709 1
1 1272 . 6 1 1 A 109 109 PHE CA C 109 58.900 56.264 2.636 1
1 1273 . 6 1 1 A 109 109 PHE CB C 109 42.100 42.683 -0.583 1
1 1279 . 6 1 1 A 110 110 LYS H H 110 6.510 8.620 -2.110 1
1 1282 . 6 1 1 A 110 110 LYS CA C 110 53.500 55.192 -1.692 1
1 1283 . 6 1 1 A 110 110 LYS CB C 110 34.800 31.927 2.873 1
1 1284 . 6 1 1 A 110 110 LYS N N 110 126.600 121.311 5.289 1
1 1285 . 6 1 1 A 111 111 PRO HA H 111 3.360 4.211 -0.851 1
1 1292 . 6 1 1 A 111 111 PRO C C 111 177.100 178.674 -1.574 1
1 1293 . 6 1 1 A 111 111 PRO CA C 111 66.600 65.773 0.827 1
1 1294 . 6 1 1 A 111 111 PRO CB C 111 31.700 31.817 -0.117 1
1 1297 . 6 1 1 A 112 112 ALA H H 112 8.450 8.323 0.127 1
1 1298 . 6 1 1 A 112 112 ALA HA H 112 4.140 4.100 0.040 1
1 1302 . 6 1 1 A 112 112 ALA C C 112 180.300 180.602 -0.302 1
1 1303 . 6 1 1 A 112 112 ALA CA C 112 54.900 55.373 -0.473 1
1 1304 . 6 1 1 A 112 112 ALA CB C 112 18.800 18.464 0.336 1
1 1305 . 6 1 1 A 112 112 ALA N N 112 116.200 118.653 -2.453 1
1 1306 . 6 1 1 A 113 113 GLN H H 113 6.880 7.744 -0.864 1
1 1307 . 6 1 1 A 113 113 GLN HA H 113 4.130 4.035 0.095 1
1 1314 . 6 1 1 A 113 113 GLN C C 113 178.400 178.226 0.174 1
1 1315 . 6 1 1 A 113 113 GLN CA C 113 60.100 59.044 1.056 1
1 1316 . 6 1 1 A 113 113 GLN CB C 113 29.100 28.736 0.364 1
1 1318 . 6 1 1 A 113 113 GLN N N 113 118.200 117.679 0.521 1
1 1320 . 6 1 1 A 114 114 TYR H H 114 7.600 8.236 -0.636 1
1 1321 . 6 1 1 A 114 114 TYR HA H 114 3.800 4.122 -0.322 1
1 1328 . 6 1 1 A 114 114 TYR C C 114 177.100 178.186 -1.086 1
1 1329 . 6 1 1 A 114 114 TYR CA C 114 61.700 61.392 0.308 1
1 1330 . 6 1 1 A 114 114 TYR CB C 114 33.200 38.385 -5.185 1
1 1335 . 6 1 1 A 114 114 TYR N N 114 124.900 121.047 3.853 1
1 1336 . 6 1 1 A 115 115 GLU H H 115 8.610 8.501 0.109 1
1 1337 . 6 1 1 A 115 115 GLU HA H 115 4.160 4.321 -0.161 1
1 1342 . 6 1 1 A 115 115 GLU C C 115 178.800 179.413 -0.613 1
1 1343 . 6 1 1 A 115 115 GLU CA C 115 60.100 59.740 0.360 1
1 1344 . 6 1 1 A 115 115 GLU CB C 115 30.000 30.041 -0.041 1
1 1346 . 6 1 1 A 115 115 GLU N N 115 119.300 118.764 0.536 1
1 1347 . 6 1 1 A 116 116 ALA H H 116 7.390 8.027 -0.637 1
1 1348 . 6 1 1 A 116 116 ALA HA H 116 4.210 4.157 0.053 1
1 1352 . 6 1 1 A 116 116 ALA C C 116 179.700 179.438 0.262 1
1 1353 . 6 1 1 A 116 116 ALA CA C 116 54.600 54.924 -0.324 1
1 1354 . 6 1 1 A 116 116 ALA CB C 116 18.200 18.006 0.194 1
1 1355 . 6 1 1 A 116 116 ALA N N 116 118.200 122.376 -4.176 1
1 1356 . 6 1 1 A 117 117 TYR H H 117 7.780 8.064 -0.284 1
1 1357 . 6 1 1 A 117 117 TYR HA H 117 3.890 4.155 -0.265 1
1 1364 . 6 1 1 A 117 117 TYR C C 117 177.300 177.414 -0.114 1
1 1365 . 6 1 1 A 117 117 TYR CA C 117 61.100 61.583 -0.483 1
1 1366 . 6 1 1 A 117 117 TYR CB C 117 39.200 39.319 -0.119 1
1 1371 . 6 1 1 A 117 117 TYR N N 117 120.200 119.762 0.438 1
1 1372 . 6 1 1 A 118 118 PHE H H 118 7.960 8.165 -0.205 1
1 1379 . 6 1 1 A 118 118 PHE C C 118 174.900 176.115 -1.215 1
1 1380 . 6 1 1 A 118 118 PHE CA C 118 57.850 60.848 -2.998 1
1 1381 . 6 1 1 A 118 118 PHE CB C 118 39.100 38.873 0.227 1
1 1386 . 6 1 1 A 118 118 PHE N N 118 113.100 120.387 -7.287 1
1 1387 . 6 1 1 A 119 119 LYS H H 119 7.670 7.785 -0.115 1
1 1388 . 6 1 1 A 119 119 LYS HA H 119 4.210 4.113 0.097 1
1 1397 . 6 1 1 A 119 119 LYS CA C 119 57.300 56.602 0.698 1
1 1398 . 6 1 1 A 119 119 LYS CB C 119 31.200 32.732 -1.532 1
1 1402 . 6 1 1 A 119 119 LYS N N 119 120.200 118.897 1.303 1
1 1 . 7 1 1 A 2 2 PRO HA H 2 4.500 4.520 -0.020 1
1 8 . 7 1 1 A 2 2 PRO C C 2 177.500 176.359 1.141 1
1 9 . 7 1 1 A 2 2 PRO CA C 2 63.500 62.615 0.885 1
1 10 . 7 1 1 A 2 2 PRO CB C 2 32.200 32.214 -0.014 1
1 13 . 7 1 1 A 3 3 GLY H H 3 8.113 8.691 -0.578 1
1 14 . 7 1 1 A 3 3 GLY HA2 H 3 4.060 4.033 0.027 1
1 15 . 7 1 1 A 3 3 GLY HA3 H 3 4.030 4.035 -0.005 1
1 16 . 7 1 1 A 3 3 GLY CA C 3 45.300 46.124 -0.824 1
1 17 . 7 1 1 A 3 3 GLY N N 3 110.500 109.220 1.280 1
1 18 . 7 1 1 A 4 4 SER H H 4 8.280 8.390 -0.110 1
1 19 . 7 1 1 A 4 4 SER HA H 4 4.520 4.464 0.056 1
1 22 . 7 1 1 A 4 4 SER C C 4 178.100 174.617 3.483 1
1 23 . 7 1 1 A 4 4 SER CA C 4 58.600 61.679 -3.079 1
1 24 . 7 1 1 A 4 4 SER CB C 4 63.800 63.925 -0.125 1
1 25 . 7 1 1 A 4 4 SER N N 4 115.900 120.461 -4.561 1
1 26 . 7 1 1 A 5 5 MET H H 5 8.680 7.842 0.838 1
1 27 . 7 1 1 A 5 5 MET HA H 5 4.700 4.571 0.129 1
1 32 . 7 1 1 A 5 5 MET C C 5 174.800 175.264 -0.464 1
1 33 . 7 1 1 A 5 5 MET CA C 5 54.900 54.981 -0.081 1
1 34 . 7 1 1 A 5 5 MET CB C 5 32.500 34.171 -1.671 1
1 36 . 7 1 1 A 5 5 MET N N 5 121.500 120.264 1.236 1
1 37 . 7 1 1 A 6 6 SER H H 6 8.220 8.833 -0.613 1
1 38 . 7 1 1 A 6 6 SER HA H 6 4.580 4.901 -0.321 1
1 41 . 7 1 1 A 6 6 SER C C 6 174.200 174.017 0.183 1
1 42 . 7 1 1 A 6 6 SER CA C 6 59.100 58.281 0.819 1
1 43 . 7 1 1 A 6 6 SER CB C 6 63.800 63.668 0.132 1
1 44 . 7 1 1 A 6 6 SER N N 6 117.000 124.696 -7.696 1
1 45 . 7 1 1 A 7 7 VAL H H 7 8.750 8.709 0.041 1
1 46 . 7 1 1 A 7 7 VAL HA H 7 4.840 4.434 0.406 1
1 54 . 7 1 1 A 7 7 VAL C C 7 175.800 174.774 1.026 1
1 55 . 7 1 1 A 7 7 VAL CA C 7 61.800 61.238 0.562 1
1 56 . 7 1 1 A 7 7 VAL CB C 7 33.800 33.005 0.795 1
1 59 . 7 1 1 A 7 7 VAL N N 7 124.100 127.129 -3.029 1
1 60 . 7 1 1 A 8 8 THR H H 8 8.880 8.689 0.191 1
1 61 . 7 1 1 A 8 8 THR HA H 8 5.360 4.908 0.452 1
1 66 . 7 1 1 A 8 8 THR C C 8 172.500 172.870 -0.370 1
1 67 . 7 1 1 A 8 8 THR CA C 8 61.700 61.901 -0.201 1
1 68 . 7 1 1 A 8 8 THR CB C 8 70.600 70.046 0.554 1
1 70 . 7 1 1 A 8 8 THR N N 8 124.500 121.696 2.804 1
1 71 . 7 1 1 A 9 9 ILE H H 9 9.170 9.138 0.032 1
1 72 . 7 1 1 A 9 9 ILE HA H 9 5.610 5.574 0.036 1
1 82 . 7 1 1 A 9 9 ILE C C 9 172.500 173.441 -0.941 1
1 83 . 7 1 1 A 9 9 ILE CA C 9 58.300 58.756 -0.456 1
1 84 . 7 1 1 A 9 9 ILE CB C 9 42.400 41.483 0.917 1
1 88 . 7 1 1 A 9 9 ILE N N 9 123.900 128.207 -4.307 1
1 89 . 7 1 1 A 10 10 TYR H H 10 9.740 9.377 0.363 1
1 90 . 7 1 1 A 10 10 TYR HA H 10 5.410 5.306 0.104 1
1 95 . 7 1 1 A 10 10 TYR C C 10 177.500 175.387 2.113 1
1 96 . 7 1 1 A 10 10 TYR CA C 10 56.500 58.172 -1.672 1
1 97 . 7 1 1 A 10 10 TYR CB C 10 40.300 40.081 0.219 1
1 100 . 7 1 1 A 10 10 TYR N N 10 125.300 130.264 -4.964 1
1 101 . 7 1 1 A 11 11 GLY H H 11 7.880 8.321 -0.441 1
1 102 . 7 1 1 A 11 11 GLY HA2 H 11 4.700 4.553 0.147 1
1 103 . 7 1 1 A 11 11 GLY HA3 H 11 4.700 4.619 0.081 1
1 104 . 7 1 1 A 11 11 GLY C C 11 170.000 172.620 -2.620 1
1 105 . 7 1 1 A 11 11 GLY CA C 11 46.700 45.233 1.467 1
1 106 . 7 1 1 A 11 11 GLY N N 11 108.600 111.807 -3.207 1
1 107 . 7 1 1 A 12 12 ILE H H 12 6.340 9.065 -2.725 1
1 108 . 7 1 1 A 12 12 ILE HA H 12 5.330 5.331 -0.001 1
1 118 . 7 1 1 A 12 12 ILE C C 12 175.100 175.011 0.089 1
1 119 . 7 1 1 A 12 12 ILE CA C 12 59.300 59.021 0.279 1
1 120 . 7 1 1 A 12 12 ILE CB C 12 41.000 42.473 -1.473 1
1 124 . 7 1 1 A 12 12 ILE N N 12 113.300 116.993 -3.693 1
1 125 . 7 1 1 A 13 13 LYS H H 13 9.450 8.527 0.923 1
1 126 . 7 1 1 A 13 13 LYS HA H 13 4.090 4.263 -0.173 1
1 129 . 7 1 1 A 13 13 LYS C C 13 177.800 176.635 1.165 1
1 130 . 7 1 1 A 13 13 LYS CA C 13 59.200 56.735 2.465 1
1 131 . 7 1 1 A 13 13 LYS CB C 13 33.600 32.948 0.652 1
1 133 . 7 1 1 A 13 13 LYS N N 13 120.900 119.663 1.237 1
1 134 . 7 1 1 A 14 14 ASN H H 14 8.700 9.167 -0.467 1
1 135 . 7 1 1 A 14 14 ASN HA H 14 4.690 4.333 0.357 1
1 140 . 7 1 1 A 14 14 ASN C C 14 173.100 174.280 -1.180 1
1 141 . 7 1 1 A 14 14 ASN CA C 14 52.700 53.983 -1.283 1
1 142 . 7 1 1 A 14 14 ASN CB C 14 36.300 37.166 -0.866 1
1 143 . 7 1 1 A 14 14 ASN N N 14 116.600 118.615 -2.015 1
1 145 . 7 1 1 A 15 15 CYS H H 15 7.440 7.880 -0.440 1
1 146 . 7 1 1 A 15 15 CYS HA H 15 4.510 4.822 -0.312 1
1 149 . 7 1 1 A 15 15 CYS CA C 15 59.100 57.415 1.685 1
1 150 . 7 1 1 A 15 15 CYS CB C 15 30.800 30.595 0.205 1
1 151 . 7 1 1 A 15 15 CYS N N 15 124.400 118.266 6.134 1
1 152 . 7 1 1 A 16 16 ASP HA H 16 4.460 4.673 -0.213 1
1 155 . 7 1 1 A 16 16 ASP C C 16 178.000 177.657 0.343 1
1 156 . 7 1 1 A 16 16 ASP CA C 16 57.500 55.324 2.176 1
1 157 . 7 1 1 A 16 16 ASP CB C 16 41.400 42.073 -0.673 1
1 158 . 7 1 1 A 17 17 THR H H 17 9.210 8.377 0.833 1
1 159 . 7 1 1 A 17 17 THR HA H 17 4.000 3.876 0.124 1
1 164 . 7 1 1 A 17 17 THR C C 17 176.000 177.110 -1.110 1
1 165 . 7 1 1 A 17 17 THR CA C 17 67.400 65.880 1.520 1
1 166 . 7 1 1 A 17 17 THR CB C 17 68.200 68.968 -0.768 1
1 168 . 7 1 1 A 17 17 THR N N 17 122.200 115.222 6.978 1
1 169 . 7 1 1 A 18 18 MET H H 18 8.940 8.149 0.791 1
1 170 . 7 1 1 A 18 18 MET HA H 18 3.990 4.038 -0.048 1
1 176 . 7 1 1 A 18 18 MET C C 18 178.300 178.463 -0.163 1
1 177 . 7 1 1 A 18 18 MET CA C 18 56.000 59.181 -3.181 1
1 178 . 7 1 1 A 18 18 MET CB C 18 31.400 32.723 -1.323 1
1 181 . 7 1 1 A 18 18 MET N N 18 125.300 119.667 5.633 1
1 182 . 7 1 1 A 19 19 LYS H H 19 8.080 7.919 0.161 1
1 183 . 7 1 1 A 19 19 LYS HA H 19 3.800 3.863 -0.063 1
1 186 . 7 1 1 A 19 19 LYS CA C 19 60.000 59.610 0.390 1
1 187 . 7 1 1 A 19 19 LYS CB C 19 32.500 32.598 -0.098 1
1 191 . 7 1 1 A 19 19 LYS N N 19 117.900 120.451 -2.551 1
1 192 . 7 1 1 A 20 20 LYS H H 20 7.510 7.754 -0.244 1
1 193 . 7 1 1 A 20 20 LYS HA H 20 3.790 4.078 -0.288 1
1 198 . 7 1 1 A 20 20 LYS C C 20 178.500 179.007 -0.507 1
1 199 . 7 1 1 A 20 20 LYS CA C 20 59.500 59.745 -0.245 1
1 200 . 7 1 1 A 20 20 LYS CB C 20 32.800 32.494 0.306 1
1 204 . 7 1 1 A 20 20 LYS N N 20 117.500 118.826 -1.326 1
1 205 . 7 1 1 A 21 21 ALA H H 21 7.730 8.261 -0.531 1
1 206 . 7 1 1 A 21 21 ALA HA H 21 2.540 4.059 -1.519 1
1 210 . 7 1 1 A 21 21 ALA C C 21 178.700 179.959 -1.259 1
1 211 . 7 1 1 A 21 21 ALA CA C 21 54.400 55.364 -0.964 1
1 212 . 7 1 1 A 21 21 ALA CB C 21 19.000 18.208 0.792 1
1 213 . 7 1 1 A 21 21 ALA N N 21 123.600 122.269 1.331 1
1 214 . 7 1 1 A 22 22 ARG H H 22 8.110 8.371 -0.261 1
1 215 . 7 1 1 A 22 22 ARG HA H 22 3.490 4.012 -0.522 1
1 222 . 7 1 1 A 22 22 ARG C C 22 178.200 178.823 -0.623 1
1 223 . 7 1 1 A 22 22 ARG CA C 22 60.500 59.378 1.122 1
1 224 . 7 1 1 A 22 22 ARG CB C 22 30.700 29.826 0.874 1
1 227 . 7 1 1 A 22 22 ARG N N 22 116.100 117.575 -1.475 1
1 228 . 7 1 1 A 23 23 ILE H H 23 7.860 8.085 -0.225 1
1 229 . 7 1 1 A 23 23 ILE HA H 23 3.710 3.767 -0.057 1
1 239 . 7 1 1 A 23 23 ILE C C 23 177.200 178.602 -1.402 1
1 240 . 7 1 1 A 23 23 ILE CA C 23 65.000 64.902 0.098 1
1 241 . 7 1 1 A 23 23 ILE CB C 23 38.000 37.367 0.633 1
1 245 . 7 1 1 A 23 23 ILE N N 23 119.400 119.213 0.187 1
1 246 . 7 1 1 A 24 24 TRP H H 24 7.880 8.218 -0.338 1
1 247 . 7 1 1 A 24 24 TRP HA H 24 4.270 4.437 -0.167 1
1 256 . 7 1 1 A 24 24 TRP C C 24 176.100 178.331 -2.231 1
1 257 . 7 1 1 A 24 24 TRP CA C 24 63.100 61.172 1.928 1
1 258 . 7 1 1 A 24 24 TRP CB C 24 30.200 29.901 0.299 1
1 264 . 7 1 1 A 24 24 TRP N N 24 121.000 122.465 -1.465 1
1 266 . 7 1 1 A 25 25 LEU H H 25 8.690 8.835 -0.145 1
1 267 . 7 1 1 A 25 25 LEU HA H 25 4.000 4.008 -0.008 1
1 277 . 7 1 1 A 25 25 LEU C C 25 178.600 179.243 -0.643 1
1 278 . 7 1 1 A 25 25 LEU CA C 25 59.700 58.101 1.599 1
1 279 . 7 1 1 A 25 25 LEU CB C 25 41.200 41.356 -0.156 1
1 283 . 7 1 1 A 25 25 LEU N N 25 121.800 119.780 2.020 1
1 284 . 7 1 1 A 26 26 GLU H H 26 8.580 8.563 0.017 1
1 285 . 7 1 1 A 26 26 GLU HA H 26 4.200 4.137 0.063 1
1 290 . 7 1 1 A 26 26 GLU C C 26 181.200 178.881 2.319 1
1 291 . 7 1 1 A 26 26 GLU CA C 26 59.500 59.974 -0.474 1
1 292 . 7 1 1 A 26 26 GLU CB C 26 28.800 29.504 -0.704 1
1 294 . 7 1 1 A 26 26 GLU N N 26 120.600 117.591 3.009 1
1 295 . 7 1 1 A 27 27 ASP H H 27 9.360 8.130 1.230 1
1 296 . 7 1 1 A 27 27 ASP HA H 27 4.270 4.318 -0.048 1
1 299 . 7 1 1 A 27 27 ASP C C 27 177.400 178.559 -1.159 1
1 300 . 7 1 1 A 27 27 ASP CA C 27 56.400 57.100 -0.700 1
1 301 . 7 1 1 A 27 27 ASP CB C 27 40.000 41.465 -1.465 1
1 302 . 7 1 1 A 27 27 ASP N N 27 121.800 120.077 1.723 1
1 303 . 7 1 1 A 28 28 HIS H H 28 7.340 7.766 -0.426 1
1 304 . 7 1 1 A 28 28 HIS HA H 28 4.250 4.264 -0.014 1
1 309 . 7 1 1 A 28 28 HIS C C 28 173.600 175.413 -1.813 1
1 310 . 7 1 1 A 28 28 HIS CA C 28 56.700 56.054 0.646 1
1 311 . 7 1 1 A 28 28 HIS CB C 28 27.500 29.975 -2.475 1
1 314 . 7 1 1 A 28 28 HIS N N 28 113.400 115.423 -2.023 1
1 315 . 7 1 1 A 29 29 GLY H H 29 7.790 7.826 -0.036 1
1 316 . 7 1 1 A 29 29 GLY HA2 H 29 3.870 3.910 -0.040 1
1 317 . 7 1 1 A 29 29 GLY HA3 H 29 3.870 3.914 -0.044 1
1 318 . 7 1 1 A 29 29 GLY C C 29 174.200 174.107 0.093 1
1 319 . 7 1 1 A 29 29 GLY CA C 29 46.900 45.428 1.472 1
1 320 . 7 1 1 A 29 29 GLY N N 29 109.400 105.748 3.652 1
1 321 . 7 1 1 A 30 30 ILE H H 30 8.120 8.313 -0.193 1
1 322 . 7 1 1 A 30 30 ILE HA H 30 4.040 4.713 -0.673 1
1 332 . 7 1 1 A 30 30 ILE C C 30 175.500 174.258 1.242 1
1 333 . 7 1 1 A 30 30 ILE CA C 30 60.000 60.024 -0.024 1
1 334 . 7 1 1 A 30 30 ILE CB C 30 38.100 40.088 -1.988 1
1 338 . 7 1 1 A 30 30 ILE N N 30 121.800 121.552 0.248 1
1 339 . 7 1 1 A 31 31 ASP H H 31 8.430 8.868 -0.438 1
1 340 . 7 1 1 A 31 31 ASP HA H 31 4.650 5.342 -0.692 1
1 343 . 7 1 1 A 31 31 ASP C C 31 175.800 174.873 0.927 1
1 344 . 7 1 1 A 31 31 ASP CA C 31 54.600 52.606 1.994 1
1 345 . 7 1 1 A 31 31 ASP CB C 31 41.600 43.154 -1.554 1
1 346 . 7 1 1 A 31 31 ASP N N 31 128.500 126.440 2.060 1
1 347 . 7 1 1 A 32 32 TYR H H 32 7.920 9.400 -1.480 1
1 348 . 7 1 1 A 32 32 TYR HA H 32 5.500 5.301 0.199 1
1 355 . 7 1 1 A 32 32 TYR C C 32 173.800 175.694 -1.894 1
1 356 . 7 1 1 A 32 32 TYR CA C 32 56.100 56.019 0.081 1
1 357 . 7 1 1 A 32 32 TYR CB C 32 41.700 41.582 0.118 1
1 362 . 7 1 1 A 32 32 TYR N N 32 117.500 126.062 -8.562 1
1 363 . 7 1 1 A 33 33 THR H H 33 8.900 8.909 -0.009 1
1 364 . 7 1 1 A 33 33 THR HA H 33 4.470 4.680 -0.210 1
1 369 . 7 1 1 A 33 33 THR C C 33 172.900 173.971 -1.071 1
1 370 . 7 1 1 A 33 33 THR CA C 33 61.800 62.529 -0.729 1
1 371 . 7 1 1 A 33 33 THR CB C 33 70.800 69.183 1.617 1
1 373 . 7 1 1 A 33 33 THR N N 33 117.100 118.562 -1.462 1
1 374 . 7 1 1 A 34 34 PHE H H 34 9.280 9.036 0.244 1
1 375 . 7 1 1 A 34 34 PHE HA H 34 5.520 4.761 0.759 1
1 383 . 7 1 1 A 34 34 PHE CA C 34 53.900 57.928 -4.028 1
1 384 . 7 1 1 A 34 34 PHE CB C 34 39.900 39.369 0.531 1
1 390 . 7 1 1 A 34 34 PHE N N 34 128.200 128.045 0.155 1
1 391 . 7 1 1 A 35 35 HIS H H 35 9.210 8.747 0.463 1
1 392 . 7 1 1 A 35 35 HIS HA H 35 4.240 4.912 -0.672 1
1 397 . 7 1 1 A 35 35 HIS CA C 35 54.900 53.851 1.049 1
1 398 . 7 1 1 A 35 35 HIS CB C 35 30.700 31.559 -0.859 1
1 401 . 7 1 1 A 35 35 HIS N N 35 133.900 128.703 5.197 1
1 402 . 7 1 1 A 36 36 ASP H H 36 7.930 8.019 -0.089 1
1 403 . 7 1 1 A 36 36 ASP HA H 36 4.470 4.687 -0.217 1
1 406 . 7 1 1 A 36 36 ASP C C 36 178.500 176.339 2.161 1
1 407 . 7 1 1 A 36 36 ASP CA C 36 50.900 52.723 -1.823 1
1 408 . 7 1 1 A 36 36 ASP CB C 36 42.200 42.436 -0.236 1
1 409 . 7 1 1 A 36 36 ASP N N 36 127.000 127.809 -0.809 1
1 410 . 7 1 1 A 37 37 TYR H H 37 9.290 8.574 0.716 1
1 417 . 7 1 1 A 37 37 TYR C C 37 178.700 177.403 1.297 1
1 418 . 7 1 1 A 37 37 TYR CA C 37 58.700 60.879 -2.179 1
1 419 . 7 1 1 A 37 37 TYR CB C 37 39.100 38.006 1.094 1
1 424 . 7 1 1 A 37 37 TYR N N 37 126.400 124.724 1.676 1
1 425 . 7 1 1 A 38 38 LYS H H 38 8.880 7.105 1.775 1
1 426 . 7 1 1 A 38 38 LYS HA H 38 4.300 3.727 0.573 1
1 429 . 7 1 1 A 38 38 LYS CA C 38 57.700 59.135 -1.435 1
1 430 . 7 1 1 A 38 38 LYS CB C 38 31.600 31.550 0.050 1
1 434 . 7 1 1 A 38 38 LYS N N 38 115.800 122.337 -6.537 1
1 435 . 7 1 1 A 39 39 LYS H H 39 7.330 7.533 -0.203 1
1 436 . 7 1 1 A 39 39 LYS HA H 39 4.420 3.786 0.634 1
1 443 . 7 1 1 A 39 39 LYS CA C 39 57.500 59.959 -2.459 1
1 444 . 7 1 1 A 39 39 LYS CB C 39 34.600 31.972 2.628 1
1 448 . 7 1 1 A 39 39 LYS N N 39 118.800 118.583 0.217 1
1 449 . 7 1 1 A 40 40 GLU H H 40 8.570 7.583 0.987 1
1 450 . 7 1 1 A 40 40 GLU HA H 40 4.280 4.304 -0.024 1
1 455 . 7 1 1 A 40 40 GLU CA C 40 57.900 56.271 1.629 1
1 456 . 7 1 1 A 40 40 GLU CB C 40 29.300 30.726 -1.426 1
1 458 . 7 1 1 A 40 40 GLU N N 40 117.600 115.703 1.897 1
1 459 . 7 1 1 A 41 41 GLY H H 41 7.470 7.808 -0.338 1
1 460 . 7 1 1 A 41 41 GLY HA2 H 41 4.310 3.966 0.344 1
1 461 . 7 1 1 A 41 41 GLY HA3 H 41 4.170 3.971 0.199 1
1 462 . 7 1 1 A 41 41 GLY CA C 41 44.900 45.328 -0.428 1
1 463 . 7 1 1 A 41 41 GLY N N 41 106.300 108.163 -1.863 1
1 464 . 7 1 1 A 42 42 LEU H H 42 8.290 8.196 0.094 1
1 465 . 7 1 1 A 42 42 LEU HA H 42 4.950 4.540 0.410 1
1 475 . 7 1 1 A 42 42 LEU C C 42 173.800 175.072 -1.272 1
1 476 . 7 1 1 A 42 42 LEU CA C 42 54.500 55.835 -1.335 1
1 477 . 7 1 1 A 42 42 LEU CB C 42 43.400 42.739 0.661 1
1 481 . 7 1 1 A 42 42 LEU N N 42 121.000 124.924 -3.924 1
1 482 . 7 1 1 A 43 43 ASP H H 43 8.520 8.739 -0.219 1
1 483 . 7 1 1 A 43 43 ASP HA H 43 4.800 5.078 -0.278 1
1 486 . 7 1 1 A 43 43 ASP C C 43 175.400 176.259 -0.859 1
1 487 . 7 1 1 A 43 43 ASP CA C 43 51.600 52.332 -0.732 1
1 488 . 7 1 1 A 43 43 ASP CB C 43 42.200 44.254 -2.054 1
1 489 . 7 1 1 A 43 43 ASP N N 43 124.800 126.618 -1.818 1
1 490 . 7 1 1 A 44 44 ALA H H 44 8.640 8.896 -0.256 1
1 491 . 7 1 1 A 44 44 ALA HA H 44 3.780 4.005 -0.225 1
1 495 . 7 1 1 A 44 44 ALA C C 44 178.100 179.450 -1.350 1
1 496 . 7 1 1 A 44 44 ALA CA C 44 55.400 55.451 -0.051 1
1 497 . 7 1 1 A 44 44 ALA CB C 44 18.100 18.414 -0.314 1
1 498 . 7 1 1 A 44 44 ALA N N 44 122.400 123.582 -1.182 1
1 499 . 7 1 1 A 45 45 GLU H H 45 8.240 8.053 0.187 1
1 500 . 7 1 1 A 45 45 GLU HA H 45 3.920 4.014 -0.094 1
1 505 . 7 1 1 A 45 45 GLU C C 45 179.300 178.917 0.383 1
1 506 . 7 1 1 A 45 45 GLU CA C 45 59.800 59.388 0.412 1
1 507 . 7 1 1 A 45 45 GLU CB C 45 29.200 29.623 -0.423 1
1 509 . 7 1 1 A 45 45 GLU N N 45 115.600 119.260 -3.660 1
1 510 . 7 1 1 A 46 46 THR H H 46 7.910 8.125 -0.215 1
1 511 . 7 1 1 A 46 46 THR HA H 46 3.500 3.937 -0.437 1
1 516 . 7 1 1 A 46 46 THR C C 46 174.300 176.418 -2.118 1
1 517 . 7 1 1 A 46 46 THR CA C 46 66.600 67.719 -1.119 1
1 518 . 7 1 1 A 46 46 THR CB C 46 67.700 68.379 -0.679 1
1 520 . 7 1 1 A 46 46 THR N N 46 117.700 116.377 1.323 1
1 521 . 7 1 1 A 47 47 LEU H H 47 7.710 8.439 -0.729 1
1 522 . 7 1 1 A 47 47 LEU HA H 47 3.510 4.110 -0.600 1
1 532 . 7 1 1 A 47 47 LEU C C 47 178.000 178.036 -0.036 1
1 533 . 7 1 1 A 47 47 LEU CA C 47 57.900 58.566 -0.666 1
1 534 . 7 1 1 A 47 47 LEU CB C 47 41.500 41.174 0.326 1
1 538 . 7 1 1 A 47 47 LEU N N 47 120.400 121.264 -0.864 1
1 539 . 7 1 1 A 48 48 ASP H H 48 9.000 8.367 0.633 1
1 540 . 7 1 1 A 48 48 ASP HA H 48 4.490 4.264 0.226 1
1 543 . 7 1 1 A 48 48 ASP C C 48 179.100 178.594 0.506 1
1 544 . 7 1 1 A 48 48 ASP CA C 48 57.500 57.895 -0.395 1
1 545 . 7 1 1 A 48 48 ASP CB C 48 39.100 41.911 -2.811 1
1 546 . 7 1 1 A 48 48 ASP N N 48 116.800 118.843 -2.043 1
1 547 . 7 1 1 A 49 49 ARG H H 49 7.560 7.990 -0.430 1
1 548 . 7 1 1 A 49 49 ARG HA H 49 4.110 4.000 0.110 1
1 555 . 7 1 1 A 49 49 ARG C C 49 180.100 179.184 0.916 1
1 556 . 7 1 1 A 49 49 ARG CA C 49 60.300 59.489 0.811 1
1 557 . 7 1 1 A 49 49 ARG CB C 49 29.600 29.422 0.178 1
1 560 . 7 1 1 A 49 49 ARG N N 49 122.100 118.827 3.273 1
1 561 . 7 1 1 A 50 50 PHE H H 50 8.300 8.035 0.265 1
1 562 . 7 1 1 A 50 50 PHE HA H 50 4.550 4.519 0.031 1
1 569 . 7 1 1 A 50 50 PHE C C 50 178.400 178.229 0.171 1
1 570 . 7 1 1 A 50 50 PHE CA C 50 57.500 60.936 -3.436 1
1 571 . 7 1 1 A 50 50 PHE CB C 50 36.900 38.554 -1.654 1
1 576 . 7 1 1 A 50 50 PHE N N 50 122.100 119.457 2.643 1
1 577 . 7 1 1 A 51 51 LEU H H 51 8.460 8.463 -0.003 1
1 587 . 7 1 1 A 51 51 LEU CA C 51 55.920 57.986 -2.066 1
1 588 . 7 1 1 A 51 51 LEU CB C 51 42.400 41.710 0.690 1
1 592 . 7 1 1 A 51 51 LEU N N 51 117.000 121.192 -4.192 1
1 593 . 7 1 1 A 52 52 LYS H H 52 7.660 7.916 -0.256 1
1 594 . 7 1 1 A 52 52 LYS HA H 52 4.180 4.073 0.107 1
1 603 . 7 1 1 A 52 52 LYS C C 52 178.300 178.853 -0.553 1
1 604 . 7 1 1 A 52 52 LYS CA C 52 58.700 58.949 -0.249 1
1 605 . 7 1 1 A 52 52 LYS CB C 52 32.700 31.823 0.877 1
1 609 . 7 1 1 A 52 52 LYS N N 52 119.100 119.352 -0.252 1
1 610 . 7 1 1 A 53 53 THR H H 53 7.430 7.235 0.195 1
1 611 . 7 1 1 A 53 53 THR HA H 53 4.570 4.320 0.250 1
1 616 . 7 1 1 A 53 53 THR C C 53 173.800 174.503 -0.703 1
1 617 . 7 1 1 A 53 53 THR CA C 53 62.600 62.927 -0.327 1
1 618 . 7 1 1 A 53 53 THR CB C 53 70.800 69.427 1.373 1
1 620 . 7 1 1 A 53 53 THR N N 53 107.400 109.340 -1.940 1
1 621 . 7 1 1 A 54 54 VAL H H 54 8.500 8.069 0.431 1
1 622 . 7 1 1 A 54 54 VAL HA H 54 4.540 4.622 -0.082 1
1 630 . 7 1 1 A 54 54 VAL C C 54 179.400 173.483 5.917 1
1 631 . 7 1 1 A 54 54 VAL CA C 54 59.100 58.934 0.166 1
1 632 . 7 1 1 A 54 54 VAL CB C 54 33.500 35.352 -1.852 1
1 635 . 7 1 1 A 54 54 VAL N N 54 125.200 121.233 3.967 1
1 636 . 7 1 1 A 55 55 PRO HA H 55 4.590 4.617 -0.027 1
1 643 . 7 1 1 A 55 55 PRO C C 55 179.400 177.673 1.727 1
1 644 . 7 1 1 A 55 55 PRO CA C 55 62.100 62.673 -0.573 1
1 645 . 7 1 1 A 55 55 PRO CB C 55 32.900 32.617 0.283 1
1 648 . 7 1 1 A 56 56 TRP H H 56 8.690 8.887 -0.197 1
1 649 . 7 1 1 A 56 56 TRP HA H 56 3.990 4.294 -0.304 1
1 657 . 7 1 1 A 56 56 TRP C C 56 177.500 177.806 -0.306 1
1 658 . 7 1 1 A 56 56 TRP CA C 56 61.000 60.451 0.549 1
1 659 . 7 1 1 A 56 56 TRP CB C 56 27.400 28.366 -0.966 1
1 664 . 7 1 1 A 56 56 TRP N N 56 122.500 125.222 -2.722 1
1 666 . 7 1 1 A 57 57 GLU H H 57 8.410 7.707 0.703 1
1 667 . 7 1 1 A 57 57 GLU HA H 57 3.270 3.701 -0.431 1
1 672 . 7 1 1 A 57 57 GLU C C 57 178.000 176.967 1.033 1
1 673 . 7 1 1 A 57 57 GLU CA C 57 60.200 58.530 1.670 1
1 674 . 7 1 1 A 57 57 GLU CB C 57 28.200 28.183 0.017 1
1 676 . 7 1 1 A 57 57 GLU N N 57 120.600 118.304 2.296 1
1 677 . 7 1 1 A 58 58 GLN H H 58 7.600 7.634 -0.034 1
1 678 . 7 1 1 A 58 58 GLN HA H 58 4.170 4.563 -0.393 1
1 683 . 7 1 1 A 58 58 GLN C C 58 175.500 176.199 -0.699 1
1 684 . 7 1 1 A 58 58 GLN CA C 58 56.000 54.592 1.408 1
1 685 . 7 1 1 A 58 58 GLN CB C 58 29.600 28.809 0.791 1
1 687 . 7 1 1 A 58 58 GLN N N 58 114.700 118.206 -3.506 1
1 688 . 7 1 1 A 59 59 LEU H H 59 7.440 8.419 -0.979 1
1 689 . 7 1 1 A 59 59 LEU HA H 59 4.220 4.541 -0.321 1
1 699 . 7 1 1 A 59 59 LEU C C 59 175.100 175.998 -0.898 1
1 700 . 7 1 1 A 59 59 LEU CA C 59 55.600 55.216 0.384 1
1 701 . 7 1 1 A 59 59 LEU CB C 59 44.700 44.392 0.308 1
1 705 . 7 1 1 A 59 59 LEU N N 59 119.500 120.703 -1.203 1
1 706 . 7 1 1 A 60 60 LEU H H 60 8.120 7.053 1.067 1
1 707 . 7 1 1 A 60 60 LEU HA H 60 4.410 4.995 -0.585 1
1 717 . 7 1 1 A 60 60 LEU C C 60 176.100 176.026 0.074 1
1 718 . 7 1 1 A 60 60 LEU CA C 60 55.400 52.740 2.660 1
1 719 . 7 1 1 A 60 60 LEU CB C 60 42.900 45.003 -2.103 1
1 723 . 7 1 1 A 60 60 LEU N N 60 119.300 115.517 3.783 1
1 724 . 7 1 1 A 61 61 ASN H H 61 9.120 8.388 0.732 1
1 729 . 7 1 1 A 61 61 ASN C C 61 175.600 174.823 0.777 1
1 730 . 7 1 1 A 61 61 ASN CA C 61 51.300 53.836 -2.536 1
1 731 . 7 1 1 A 61 61 ASN CB C 61 36.800 38.937 -2.137 1
1 732 . 7 1 1 A 61 61 ASN N N 61 124.900 117.353 7.547 1
1 734 . 7 1 1 A 62 62 ARG H H 62 8.140 8.964 -0.824 1
1 735 . 7 1 1 A 62 62 ARG HA H 62 3.450 4.151 -0.701 1
1 742 . 7 1 1 A 62 62 ARG C C 62 175.200 177.460 -2.260 1
1 743 . 7 1 1 A 62 62 ARG CA C 62 57.600 56.990 0.610 1
1 744 . 7 1 1 A 62 62 ARG CB C 62 30.200 31.762 -1.562 1
1 747 . 7 1 1 A 62 62 ARG N N 62 125.500 121.667 3.833 1
1 748 . 7 1 1 A 63 63 ALA H H 63 7.610 7.650 -0.040 1
1 749 . 7 1 1 A 63 63 ALA HA H 63 4.460 4.357 0.103 1
1 753 . 7 1 1 A 63 63 ALA C C 63 178.300 176.925 1.375 1
1 754 . 7 1 1 A 63 63 ALA CA C 63 51.800 51.590 0.210 1
1 755 . 7 1 1 A 63 63 ALA CB C 63 19.300 18.641 0.659 1
1 756 . 7 1 1 A 63 63 ALA N N 63 118.600 119.406 -0.806 1
1 757 . 7 1 1 A 64 64 GLY H H 64 7.150 8.387 -1.237 1
1 758 . 7 1 1 A 64 64 GLY HA2 H 64 4.410 4.083 0.327 1
1 759 . 7 1 1 A 64 64 GLY HA3 H 64 4.020 4.093 -0.073 1
1 760 . 7 1 1 A 64 64 GLY C C 64 173.500 174.948 -1.448 1
1 761 . 7 1 1 A 64 64 GLY CA C 64 45.400 44.038 1.362 1
1 762 . 7 1 1 A 64 64 GLY N N 64 105.700 107.326 -1.626 1
1 763 . 7 1 1 A 65 65 THR H H 65 8.340 9.149 -0.809 1
1 764 . 7 1 1 A 65 65 THR HA H 65 3.880 4.043 -0.163 1
1 769 . 7 1 1 A 65 65 THR C C 65 176.300 176.170 0.130 1
1 770 . 7 1 1 A 65 65 THR CA C 65 65.500 65.690 -0.190 1
1 771 . 7 1 1 A 65 65 THR CB C 65 69.000 68.363 0.637 1
1 773 . 7 1 1 A 65 65 THR N N 65 113.400 115.028 -1.628 1
1 774 . 7 1 1 A 66 66 THR H H 66 7.940 8.085 -0.145 1
1 775 . 7 1 1 A 66 66 THR HA H 66 3.820 3.980 -0.160 1
1 780 . 7 1 1 A 66 66 THR C C 66 176.100 176.401 -0.301 1
1 781 . 7 1 1 A 66 66 THR CA C 66 67.000 66.770 0.230 1
1 782 . 7 1 1 A 66 66 THR CB C 66 68.000 68.669 -0.669 1
1 784 . 7 1 1 A 66 66 THR N N 66 116.200 116.551 -0.351 1
1 785 . 7 1 1 A 67 67 PHE H H 67 8.720 8.022 0.698 1
1 786 . 7 1 1 A 67 67 PHE HA H 67 4.130 4.027 0.103 1
1 793 . 7 1 1 A 67 67 PHE C C 67 176.900 177.252 -0.352 1
1 794 . 7 1 1 A 67 67 PHE CA C 67 61.500 61.184 0.316 1
1 795 . 7 1 1 A 67 67 PHE CB C 67 39.800 39.120 0.680 1
1 800 . 7 1 1 A 67 67 PHE N N 67 122.400 120.457 1.943 1
1 801 . 7 1 1 A 68 68 ARG H H 68 7.750 7.877 -0.127 1
1 802 . 7 1 1 A 68 68 ARG HA H 68 3.790 4.386 -0.596 1
1 809 . 7 1 1 A 68 68 ARG C C 68 176.800 178.220 -1.420 1
1 810 . 7 1 1 A 68 68 ARG CA C 68 59.200 58.093 1.107 1
1 811 . 7 1 1 A 68 68 ARG CB C 68 30.200 29.933 0.267 1
1 814 . 7 1 1 A 68 68 ARG N N 68 114.400 117.720 -3.320 1
1 815 . 7 1 1 A 69 69 LYS H H 69 7.360 7.671 -0.311 1
1 816 . 7 1 1 A 69 69 LYS HA H 69 4.190 4.052 0.138 1
1 819 . 7 1 1 A 69 69 LYS C C 69 177.400 176.370 1.030 1
1 820 . 7 1 1 A 69 69 LYS CA C 69 56.700 59.089 -2.389 1
1 821 . 7 1 1 A 69 69 LYS CB C 69 33.000 32.452 0.548 1
1 825 . 7 1 1 A 69 69 LYS N N 69 115.600 119.661 -4.061 1
1 826 . 7 1 1 A 70 70 LEU H H 70 7.440 7.644 -0.204 1
1 827 . 7 1 1 A 70 70 LEU HA H 70 4.350 4.441 -0.091 1
1 830 . 7 1 1 A 70 70 LEU CA C 70 53.800 52.496 1.304 1
1 831 . 7 1 1 A 70 70 LEU CB C 70 41.000 41.835 -0.835 1
1 832 . 7 1 1 A 70 70 LEU N N 70 121.400 120.555 0.845 1
1 833 . 7 1 1 A 71 71 PRO HA H 71 4.460 4.537 -0.077 1
1 840 . 7 1 1 A 71 71 PRO C C 71 177.500 177.074 0.426 1
1 841 . 7 1 1 A 71 71 PRO CA C 71 62.800 62.267 0.533 1
1 842 . 7 1 1 A 71 71 PRO CB C 71 32.600 33.325 -0.725 1
1 845 . 7 1 1 A 72 72 GLU H H 72 9.010 8.752 0.258 1
1 846 . 7 1 1 A 72 72 GLU HA H 72 3.650 4.025 -0.375 1
1 851 . 7 1 1 A 72 72 GLU C C 72 177.600 178.672 -1.072 1
1 852 . 7 1 1 A 72 72 GLU CA C 72 60.500 59.251 1.249 1
1 853 . 7 1 1 A 72 72 GLU CB C 72 29.900 29.106 0.794 1
1 855 . 7 1 1 A 72 72 GLU N N 72 124.100 121.763 2.337 1
1 856 . 7 1 1 A 73 73 ASP H H 73 8.860 8.054 0.806 1
1 857 . 7 1 1 A 73 73 ASP HA H 73 4.290 4.404 -0.114 1
1 860 . 7 1 1 A 73 73 ASP C C 73 177.600 178.719 -1.119 1
1 861 . 7 1 1 A 73 73 ASP CA C 73 56.700 57.212 -0.512 1
1 862 . 7 1 1 A 73 73 ASP CB C 73 39.300 40.914 -1.614 1
1 863 . 7 1 1 A 73 73 ASP N N 73 116.200 120.416 -4.216 1
1 864 . 7 1 1 A 74 74 VAL H H 74 7.120 8.125 -1.005 1
1 865 . 7 1 1 A 74 74 VAL HA H 74 3.740 3.434 0.306 1
1 873 . 7 1 1 A 74 74 VAL C C 74 178.200 178.041 0.159 1
1 874 . 7 1 1 A 74 74 VAL CA C 74 65.000 66.970 -1.970 1
1 875 . 7 1 1 A 74 74 VAL CB C 74 32.100 31.364 0.736 1
1 878 . 7 1 1 A 74 74 VAL N N 74 120.400 120.104 0.296 1
1 879 . 7 1 1 A 75 75 ARG H H 75 7.700 7.693 0.007 1
1 880 . 7 1 1 A 75 75 ARG HA H 75 3.790 4.026 -0.236 1
1 887 . 7 1 1 A 75 75 ARG C C 75 178.500 177.562 0.938 1
1 888 . 7 1 1 A 75 75 ARG CA C 75 59.600 58.844 0.756 1
1 889 . 7 1 1 A 75 75 ARG CB C 75 31.100 29.767 1.333 1
1 892 . 7 1 1 A 75 75 ARG N N 75 115.900 119.481 -3.581 1
1 893 . 7 1 1 A 76 76 SER H H 76 8.260 7.858 0.402 1
1 894 . 7 1 1 A 76 76 SER HA H 76 4.380 4.453 -0.073 1
1 897 . 7 1 1 A 76 76 SER C C 76 174.700 174.986 -0.286 1
1 898 . 7 1 1 A 76 76 SER CA C 76 60.500 60.629 -0.129 1
1 899 . 7 1 1 A 76 76 SER CB C 76 63.500 63.628 -0.128 1
1 900 . 7 1 1 A 76 76 SER N N 76 111.800 116.204 -4.404 1
1 901 . 7 1 1 A 77 77 ASN H H 77 7.380 7.580 -0.200 1
1 902 . 7 1 1 A 77 77 ASN HA H 77 5.010 4.820 0.190 1
1 907 . 7 1 1 A 77 77 ASN C C 77 174.300 174.842 -0.542 1
1 908 . 7 1 1 A 77 77 ASN CA C 77 52.600 53.214 -0.614 1
1 909 . 7 1 1 A 77 77 ASN CB C 77 39.800 38.654 1.146 1
1 910 . 7 1 1 A 77 77 ASN N N 77 118.000 116.574 1.426 1
1 912 . 7 1 1 A 78 78 VAL H H 78 7.300 7.413 -0.113 1
1 913 . 7 1 1 A 78 78 VAL HA H 78 3.850 4.219 -0.369 1
1 921 . 7 1 1 A 78 78 VAL C C 78 173.200 174.410 -1.210 1
1 922 . 7 1 1 A 78 78 VAL CA C 78 63.600 61.711 1.889 1
1 923 . 7 1 1 A 78 78 VAL CB C 78 32.100 32.952 -0.852 1
1 926 . 7 1 1 A 78 78 VAL N N 78 121.200 121.138 0.062 1
1 927 . 7 1 1 A 79 79 ASP H H 79 7.660 8.378 -0.718 1
1 928 . 7 1 1 A 79 79 ASP HA H 79 4.380 4.804 -0.424 1
1 931 . 7 1 1 A 79 79 ASP C C 79 173.700 175.621 -1.921 1
1 932 . 7 1 1 A 79 79 ASP CA C 79 51.500 51.730 -0.230 1
1 933 . 7 1 1 A 79 79 ASP CB C 79 41.800 43.121 -1.321 1
1 934 . 7 1 1 A 79 79 ASP N N 79 127.000 127.453 -0.453 1
1 935 . 7 1 1 A 80 80 ALA H H 80 8.110 8.599 -0.489 1
1 936 . 7 1 1 A 80 80 ALA HA H 80 2.420 3.383 -0.963 1
1 940 . 7 1 1 A 80 80 ALA C C 80 178.700 179.622 -0.922 1
1 941 . 7 1 1 A 80 80 ALA CA C 80 55.600 55.222 0.378 1
1 942 . 7 1 1 A 80 80 ALA CB C 80 18.600 18.224 0.376 1
1 943 . 7 1 1 A 80 80 ALA N N 80 119.900 121.671 -1.771 1
1 944 . 7 1 1 A 81 81 ALA H H 81 7.760 8.076 -0.316 1
1 945 . 7 1 1 A 81 81 ALA HA H 81 4.030 3.917 0.113 1
1 949 . 7 1 1 A 81 81 ALA C C 81 180.700 179.971 0.729 1
1 950 . 7 1 1 A 81 81 ALA CA C 81 54.800 55.214 -0.414 1
1 951 . 7 1 1 A 81 81 ALA CB C 81 18.300 18.603 -0.303 1
1 952 . 7 1 1 A 81 81 ALA N N 81 118.500 120.225 -1.725 1
1 953 . 7 1 1 A 82 82 SER H H 82 8.480 8.098 0.382 1
1 954 . 7 1 1 A 82 82 SER HA H 82 4.240 4.009 0.231 1
1 957 . 7 1 1 A 82 82 SER C C 82 177.200 176.157 1.043 1
1 958 . 7 1 1 A 82 82 SER CA C 82 60.300 62.000 -1.700 1
1 959 . 7 1 1 A 82 82 SER CB C 82 62.700 62.823 -0.123 1
1 960 . 7 1 1 A 82 82 SER N N 82 115.300 113.325 1.975 1
1 961 . 7 1 1 A 83 83 ALA H H 83 8.970 8.210 0.760 1
1 962 . 7 1 1 A 83 83 ALA HA H 83 3.820 3.884 -0.064 1
1 966 . 7 1 1 A 83 83 ALA C C 83 178.600 180.059 -1.459 1
1 967 . 7 1 1 A 83 83 ALA CA C 83 55.600 55.177 0.423 1
1 968 . 7 1 1 A 83 83 ALA CB C 83 19.400 18.069 1.331 1
1 969 . 7 1 1 A 83 83 ALA N N 83 124.700 123.077 1.623 1
1 970 . 7 1 1 A 84 84 ARG H H 84 7.250 8.262 -1.012 1
1 971 . 7 1 1 A 84 84 ARG HA H 84 3.740 4.017 -0.277 1
1 978 . 7 1 1 A 84 84 ARG C C 84 176.600 179.154 -2.554 1
1 979 . 7 1 1 A 84 84 ARG CA C 84 60.100 59.781 0.319 1
1 980 . 7 1 1 A 84 84 ARG CB C 84 29.900 30.168 -0.268 1
1 983 . 7 1 1 A 84 84 ARG N N 84 116.500 117.621 -1.121 1
1 984 . 7 1 1 A 85 85 GLU H H 85 7.240 8.191 -0.951 1
1 985 . 7 1 1 A 85 85 GLU HA H 85 3.890 4.004 -0.114 1
1 990 . 7 1 1 A 85 85 GLU C C 85 179.800 179.116 0.684 1
1 991 . 7 1 1 A 85 85 GLU CA C 85 59.200 58.892 0.308 1
1 992 . 7 1 1 A 85 85 GLU CB C 85 29.300 29.333 -0.033 1
1 994 . 7 1 1 A 85 85 GLU N N 85 115.600 120.129 -4.529 1
1 995 . 7 1 1 A 86 86 LEU H H 86 8.620 8.243 0.377 1
1 996 . 7 1 1 A 86 86 LEU HA H 86 4.030 3.934 0.096 1
1 1006 . 7 1 1 A 86 86 LEU C C 86 178.600 179.001 -0.401 1
1 1007 . 7 1 1 A 86 86 LEU CA C 86 58.100 57.808 0.292 1
1 1008 . 7 1 1 A 86 86 LEU CB C 86 42.200 41.654 0.546 1
1 1012 . 7 1 1 A 86 86 LEU N N 86 120.800 120.584 0.216 1
1 1013 . 7 1 1 A 87 87 MET H H 87 7.840 8.383 -0.543 1
1 1014 . 7 1 1 A 87 87 MET HA H 87 3.680 4.093 -0.413 1
1 1022 . 7 1 1 A 87 87 MET C C 87 175.600 178.464 -2.864 1
1 1023 . 7 1 1 A 87 87 MET CA C 87 60.000 58.655 1.345 1
1 1024 . 7 1 1 A 87 87 MET CB C 87 34.300 32.068 2.232 1
1 1027 . 7 1 1 A 87 87 MET N N 87 116.700 116.388 0.312 1
1 1028 . 7 1 1 A 88 88 LEU H H 88 7.490 8.193 -0.703 1
1 1029 . 7 1 1 A 88 88 LEU HA H 88 3.890 4.058 -0.168 1
1 1039 . 7 1 1 A 88 88 LEU C C 88 179.200 178.256 0.944 1
1 1040 . 7 1 1 A 88 88 LEU CA C 88 57.000 58.293 -1.293 1
1 1041 . 7 1 1 A 88 88 LEU CB C 88 41.800 41.976 -0.176 1
1 1045 . 7 1 1 A 88 88 LEU N N 88 113.400 121.797 -8.397 1
1 1046 . 7 1 1 A 89 89 ALA H H 89 7.690 7.919 -0.229 1
1 1047 . 7 1 1 A 89 89 ALA HA H 89 4.210 4.159 0.051 1
1 1051 . 7 1 1 A 89 89 ALA C C 89 179.100 177.865 1.235 1
1 1052 . 7 1 1 A 89 89 ALA CA C 89 54.100 55.014 -0.914 1
1 1053 . 7 1 1 A 89 89 ALA CB C 89 19.200 19.001 0.199 1
1 1054 . 7 1 1 A 89 89 ALA N N 89 119.100 119.929 -0.829 1
1 1055 . 7 1 1 A 90 90 GLN H H 90 8.100 8.282 -0.182 1
1 1062 . 7 1 1 A 90 90 GLN CA C 90 53.400 53.031 0.369 1
1 1063 . 7 1 1 A 90 90 GLN CB C 90 30.900 28.728 2.172 1
1 1064 . 7 1 1 A 90 90 GLN N N 90 115.100 114.595 0.505 1
1 1066 . 7 1 1 A 91 91 PRO HA H 91 4.530 4.562 -0.032 1
1 1073 . 7 1 1 A 91 91 PRO C C 91 178.300 177.183 1.117 1
1 1074 . 7 1 1 A 91 91 PRO CA C 91 64.300 63.901 0.399 1
1 1075 . 7 1 1 A 91 91 PRO CB C 91 31.800 31.732 0.068 1
1 1078 . 7 1 1 A 92 92 SER H H 92 8.510 8.177 0.333 1
1 1079 . 7 1 1 A 92 92 SER HA H 92 4.310 4.142 0.168 1
1 1082 . 7 1 1 A 92 92 SER C C 92 174.200 176.078 -1.878 1
1 1083 . 7 1 1 A 92 92 SER CA C 92 62.000 60.563 1.437 1
1 1084 . 7 1 1 A 92 92 SER CB C 92 62.500 63.061 -0.561 1
1 1085 . 7 1 1 A 92 92 SER N N 92 115.000 113.616 1.384 1
1 1086 . 7 1 1 A 93 93 MET H H 93 8.790 7.455 1.335 1
1 1087 . 7 1 1 A 93 93 MET HA H 93 4.560 4.506 0.054 1
1 1092 . 7 1 1 A 93 93 MET C C 93 174.900 176.494 -1.594 1
1 1093 . 7 1 1 A 93 93 MET CA C 93 56.900 56.634 0.266 1
1 1094 . 7 1 1 A 93 93 MET CB C 93 35.000 33.162 1.838 1
1 1096 . 7 1 1 A 93 93 MET N N 93 118.400 117.585 0.815 1
1 1097 . 7 1 1 A 94 94 VAL H H 94 7.540 7.678 -0.138 1
1 1098 . 7 1 1 A 94 94 VAL HA H 94 4.080 4.055 0.025 1
1 1106 . 7 1 1 A 94 94 VAL C C 94 178.000 176.102 1.898 1
1 1107 . 7 1 1 A 94 94 VAL CA C 94 63.100 62.886 0.214 1
1 1108 . 7 1 1 A 94 94 VAL CB C 94 31.700 31.737 -0.037 1
1 1111 . 7 1 1 A 94 94 VAL N N 94 121.000 121.170 -0.170 1
1 1112 . 7 1 1 A 95 95 LYS H H 95 9.550 8.678 0.872 1
1 1113 . 7 1 1 A 95 95 LYS HA H 95 3.940 4.225 -0.285 1
1 1116 . 7 1 1 A 95 95 LYS CA C 95 58.800 56.932 1.868 1
1 1117 . 7 1 1 A 95 95 LYS CB C 95 33.500 33.349 0.151 1
1 1121 . 7 1 1 A 95 95 LYS N N 95 131.200 126.470 4.730 1
1 1122 . 7 1 1 A 96 96 ARG H H 96 8.260 8.773 -0.513 1
1 1125 . 7 1 1 A 96 96 ARG CA C 96 52.700 54.592 -1.892 1
1 1126 . 7 1 1 A 96 96 ARG CB C 96 34.400 32.660 1.740 1
1 1127 . 7 1 1 A 96 96 ARG N N 96 117.100 121.272 -4.172 1
1 1134 . 7 1 1 A 97 97 PRO C C 97 176.600 175.391 1.209 1
1 1135 . 7 1 1 A 97 97 PRO CA C 97 62.400 62.449 -0.049 1
1 1136 . 7 1 1 A 97 97 PRO CB C 97 34.700 32.588 2.112 1
1 1139 . 7 1 1 A 98 98 VAL H H 98 7.540 8.485 -0.945 1
1 1140 . 7 1 1 A 98 98 VAL HA H 98 4.460 4.845 -0.385 1
1 1148 . 7 1 1 A 98 98 VAL C C 98 173.500 174.444 -0.944 1
1 1149 . 7 1 1 A 98 98 VAL CA C 98 64.000 60.493 3.507 1
1 1150 . 7 1 1 A 98 98 VAL CB C 98 33.600 34.946 -1.346 1
1 1153 . 7 1 1 A 98 98 VAL N N 98 117.800 121.017 -3.217 1
1 1154 . 7 1 1 A 99 99 LEU H H 99 9.030 9.078 -0.048 1
1 1155 . 7 1 1 A 99 99 LEU HA H 99 5.410 5.300 0.110 1
1 1165 . 7 1 1 A 99 99 LEU C C 99 173.800 175.062 -1.262 1
1 1166 . 7 1 1 A 99 99 LEU CA C 99 54.300 52.767 1.533 1
1 1167 . 7 1 1 A 99 99 LEU CB C 99 45.800 43.913 1.887 1
1 1171 . 7 1 1 A 99 99 LEU N N 99 131.400 126.914 4.486 1
1 1172 . 7 1 1 A 100 100 GLU H H 100 9.390 9.177 0.213 1
1 1173 . 7 1 1 A 100 100 GLU HA H 100 5.050 5.333 -0.283 1
1 1178 . 7 1 1 A 100 100 GLU C C 100 174.200 174.792 -0.592 1
1 1179 . 7 1 1 A 100 100 GLU CA C 100 55.300 54.890 0.410 1
1 1180 . 7 1 1 A 100 100 GLU CB C 100 35.600 33.156 2.444 1
1 1182 . 7 1 1 A 100 100 GLU N N 100 125.800 126.417 -0.617 1
1 1183 . 7 1 1 A 101 101 ARG H H 101 7.610 8.755 -1.145 1
1 1184 . 7 1 1 A 101 101 ARG C C 101 175.900 175.079 0.821 1
1 1185 . 7 1 1 A 101 101 ARG CA C 101 56.700 55.941 0.759 1
1 1186 . 7 1 1 A 101 101 ARG CB C 101 32.500 32.770 -0.270 1
1 1189 . 7 1 1 A 101 101 ARG N N 101 125.100 126.696 -1.596 1
1 1190 . 7 1 1 A 102 102 ASP H H 102 10.080 9.419 0.661 1
1 1191 . 7 1 1 A 102 102 ASP HA H 102 4.450 4.259 0.191 1
1 1194 . 7 1 1 A 102 102 ASP C C 102 175.700 175.145 0.555 1
1 1195 . 7 1 1 A 102 102 ASP CA C 102 55.300 55.042 0.258 1
1 1196 . 7 1 1 A 102 102 ASP CB C 102 40.500 39.748 0.752 1
1 1197 . 7 1 1 A 102 102 ASP N N 102 132.000 126.889 5.111 1
1 1198 . 7 1 1 A 103 103 GLY H H 103 8.870 8.316 0.554 1
1 1199 . 7 1 1 A 103 103 GLY HA2 H 103 4.120 3.861 0.259 1
1 1200 . 7 1 1 A 103 103 GLY HA3 H 103 3.830 3.874 -0.044 1
1 1201 . 7 1 1 A 103 103 GLY C C 103 174.000 174.396 -0.396 1
1 1202 . 7 1 1 A 103 103 GLY CA C 103 45.600 45.116 0.484 1
1 1203 . 7 1 1 A 103 103 GLY N N 103 102.900 104.487 -1.587 1
1 1204 . 7 1 1 A 104 104 LYS H H 104 8.130 7.888 0.242 1
1 1205 . 7 1 1 A 104 104 LYS HA H 104 4.650 4.309 0.341 1
1 1208 . 7 1 1 A 104 104 LYS C C 104 176.500 175.476 1.024 1
1 1209 . 7 1 1 A 104 104 LYS CA C 104 55.500 56.448 -0.948 1
1 1210 . 7 1 1 A 104 104 LYS CB C 104 32.600 33.005 -0.405 1
1 1214 . 7 1 1 A 104 104 LYS N N 104 122.400 120.766 1.634 1
1 1215 . 7 1 1 A 105 105 LEU H H 105 8.920 8.914 0.006 1
1 1216 . 7 1 1 A 105 105 LEU HA H 105 5.420 5.329 0.091 1
1 1226 . 7 1 1 A 105 105 LEU C C 105 177.200 174.975 2.225 1
1 1227 . 7 1 1 A 105 105 LEU CA C 105 54.300 53.805 0.495 1
1 1228 . 7 1 1 A 105 105 LEU CB C 105 45.400 44.895 0.505 1
1 1232 . 7 1 1 A 105 105 LEU N N 105 129.200 127.174 2.026 1
1 1233 . 7 1 1 A 106 106 MET H H 106 8.860 8.845 0.015 1
1 1234 . 7 1 1 A 106 106 MET HA H 106 4.580 5.134 -0.554 1
1 1239 . 7 1 1 A 106 106 MET C C 106 174.500 174.232 0.268 1
1 1240 . 7 1 1 A 106 106 MET CA C 106 55.300 54.283 1.017 1
1 1241 . 7 1 1 A 106 106 MET CB C 106 36.500 35.861 0.639 1
1 1243 . 7 1 1 A 106 106 MET N N 106 121.500 125.290 -3.790 1
1 1244 . 7 1 1 A 107 107 VAL H H 107 9.180 8.690 0.490 1
1 1245 . 7 1 1 A 107 107 VAL HA H 107 4.690 4.217 0.473 1
1 1253 . 7 1 1 A 107 107 VAL C C 107 176.200 175.873 0.327 1
1 1254 . 7 1 1 A 107 107 VAL CA C 107 61.400 60.942 0.458 1
1 1255 . 7 1 1 A 107 107 VAL CB C 107 33.400 32.258 1.142 1
1 1258 . 7 1 1 A 107 107 VAL N N 107 129.500 125.867 3.633 1
1 1259 . 7 1 1 A 108 108 GLY H H 108 8.730 8.461 0.269 1
1 1260 . 7 1 1 A 108 108 GLY HA2 H 108 4.430 3.709 0.721 1
1 1261 . 7 1 1 A 108 108 GLY HA3 H 108 3.850 3.805 0.045 1
1 1262 . 7 1 1 A 108 108 GLY CA C 108 43.800 44.296 -0.496 1
1 1263 . 7 1 1 A 108 108 GLY N N 108 113.600 113.409 0.191 1
1 1271 . 7 1 1 A 109 109 PHE C C 109 172.700 175.202 -2.502 1
1 1272 . 7 1 1 A 109 109 PHE CA C 109 58.900 56.496 2.404 1
1 1273 . 7 1 1 A 109 109 PHE CB C 109 42.100 43.355 -1.255 1
1 1279 . 7 1 1 A 110 110 LYS H H 110 6.510 8.514 -2.004 1
1 1282 . 7 1 1 A 110 110 LYS CA C 110 53.500 55.190 -1.690 1
1 1283 . 7 1 1 A 110 110 LYS CB C 110 34.800 31.969 2.831 1
1 1284 . 7 1 1 A 110 110 LYS N N 110 126.600 121.422 5.178 1
1 1285 . 7 1 1 A 111 111 PRO HA H 111 3.360 4.148 -0.788 1
1 1292 . 7 1 1 A 111 111 PRO C C 111 177.100 178.595 -1.495 1
1 1293 . 7 1 1 A 111 111 PRO CA C 111 66.600 65.730 0.870 1
1 1294 . 7 1 1 A 111 111 PRO CB C 111 31.700 31.761 -0.061 1
1 1297 . 7 1 1 A 112 112 ALA H H 112 8.450 8.324 0.126 1
1 1298 . 7 1 1 A 112 112 ALA HA H 112 4.140 4.096 0.044 1
1 1302 . 7 1 1 A 112 112 ALA C C 112 180.300 180.736 -0.436 1
1 1303 . 7 1 1 A 112 112 ALA CA C 112 54.900 55.458 -0.558 1
1 1304 . 7 1 1 A 112 112 ALA CB C 112 18.800 18.645 0.155 1
1 1305 . 7 1 1 A 112 112 ALA N N 112 116.200 118.624 -2.424 1
1 1306 . 7 1 1 A 113 113 GLN H H 113 6.880 7.819 -0.939 1
1 1307 . 7 1 1 A 113 113 GLN HA H 113 4.130 4.041 0.089 1
1 1314 . 7 1 1 A 113 113 GLN C C 113 178.400 178.258 0.142 1
1 1315 . 7 1 1 A 113 113 GLN CA C 113 60.100 59.121 0.979 1
1 1316 . 7 1 1 A 113 113 GLN CB C 113 29.100 28.741 0.359 1
1 1318 . 7 1 1 A 113 113 GLN N N 113 118.200 117.629 0.571 1
1 1320 . 7 1 1 A 114 114 TYR H H 114 7.600 8.246 -0.646 1
1 1321 . 7 1 1 A 114 114 TYR HA H 114 3.800 4.257 -0.457 1
1 1328 . 7 1 1 A 114 114 TYR C C 114 177.100 178.230 -1.130 1
1 1329 . 7 1 1 A 114 114 TYR CA C 114 61.700 61.518 0.182 1
1 1330 . 7 1 1 A 114 114 TYR CB C 114 33.200 38.597 -5.397 1
1 1335 . 7 1 1 A 114 114 TYR N N 114 124.900 121.099 3.801 1
1 1336 . 7 1 1 A 115 115 GLU H H 115 8.610 8.469 0.141 1
1 1337 . 7 1 1 A 115 115 GLU HA H 115 4.160 4.281 -0.121 1
1 1342 . 7 1 1 A 115 115 GLU C C 115 178.800 179.341 -0.541 1
1 1343 . 7 1 1 A 115 115 GLU CA C 115 60.100 59.768 0.332 1
1 1344 . 7 1 1 A 115 115 GLU CB C 115 30.000 30.030 -0.030 1
1 1346 . 7 1 1 A 115 115 GLU N N 115 119.300 118.642 0.658 1
1 1347 . 7 1 1 A 116 116 ALA H H 116 7.390 8.056 -0.666 1
1 1348 . 7 1 1 A 116 116 ALA HA H 116 4.210 4.186 0.024 1
1 1352 . 7 1 1 A 116 116 ALA C C 116 179.700 179.628 0.072 1
1 1353 . 7 1 1 A 116 116 ALA CA C 116 54.600 54.961 -0.361 1
1 1354 . 7 1 1 A 116 116 ALA CB C 116 18.200 18.008 0.192 1
1 1355 . 7 1 1 A 116 116 ALA N N 116 118.200 122.365 -4.165 1
1 1356 . 7 1 1 A 117 117 TYR H H 117 7.780 8.180 -0.400 1
1 1357 . 7 1 1 A 117 117 TYR HA H 117 3.890 4.192 -0.302 1
1 1364 . 7 1 1 A 117 117 TYR C C 117 177.300 177.613 -0.313 1
1 1365 . 7 1 1 A 117 117 TYR CA C 117 61.100 61.483 -0.383 1
1 1366 . 7 1 1 A 117 117 TYR CB C 117 39.200 38.389 0.811 1
1 1371 . 7 1 1 A 117 117 TYR N N 117 120.200 119.811 0.389 1
1 1372 . 7 1 1 A 118 118 PHE H H 118 7.960 8.127 -0.167 1
1 1379 . 7 1 1 A 118 118 PHE C C 118 174.900 176.369 -1.469 1
1 1380 . 7 1 1 A 118 118 PHE CA C 118 57.850 61.093 -3.243 1
1 1381 . 7 1 1 A 118 118 PHE CB C 118 39.100 39.442 -0.342 1
1 1386 . 7 1 1 A 118 118 PHE N N 118 113.100 120.786 -7.686 1
1 1387 . 7 1 1 A 119 119 LYS H H 119 7.670 7.304 0.366 1
1 1388 . 7 1 1 A 119 119 LYS HA H 119 4.210 4.427 -0.217 1
1 1397 . 7 1 1 A 119 119 LYS CA C 119 57.300 56.235 1.065 1
1 1398 . 7 1 1 A 119 119 LYS CB C 119 31.200 33.312 -2.112 1
1 1402 . 7 1 1 A 119 119 LYS N N 119 120.200 118.899 1.301 1
1 1 . 8 1 1 A 2 2 PRO HA H 2 4.500 4.701 -0.201 1
1 8 . 8 1 1 A 2 2 PRO C C 2 177.500 176.753 0.747 1
1 9 . 8 1 1 A 2 2 PRO CA C 2 63.500 62.749 0.751 1
1 10 . 8 1 1 A 2 2 PRO CB C 2 32.200 31.947 0.253 1
1 13 . 8 1 1 A 3 3 GLY H H 3 8.113 8.388 -0.275 1
1 14 . 8 1 1 A 3 3 GLY HA2 H 3 4.060 4.482 -0.422 1
1 15 . 8 1 1 A 3 3 GLY HA3 H 3 4.030 4.484 -0.454 1
1 16 . 8 1 1 A 3 3 GLY CA C 3 45.300 44.018 1.282 1
1 17 . 8 1 1 A 3 3 GLY N N 3 110.500 108.502 1.998 1
1 18 . 8 1 1 A 4 4 SER H H 4 8.280 8.786 -0.506 1
1 19 . 8 1 1 A 4 4 SER HA H 4 4.520 4.366 0.154 1
1 22 . 8 1 1 A 4 4 SER C C 4 178.100 174.346 3.754 1
1 23 . 8 1 1 A 4 4 SER CA C 4 58.600 61.083 -2.483 1
1 24 . 8 1 1 A 4 4 SER CB C 4 63.800 63.930 -0.130 1
1 25 . 8 1 1 A 4 4 SER N N 4 115.900 115.611 0.289 1
1 26 . 8 1 1 A 5 5 MET H H 5 8.680 8.020 0.660 1
1 27 . 8 1 1 A 5 5 MET HA H 5 4.700 4.950 -0.250 1
1 32 . 8 1 1 A 5 5 MET C C 5 174.800 174.181 0.619 1
1 33 . 8 1 1 A 5 5 MET CA C 5 54.900 54.170 0.730 1
1 34 . 8 1 1 A 5 5 MET CB C 5 32.500 35.340 -2.840 1
1 36 . 8 1 1 A 5 5 MET N N 5 121.500 119.103 2.397 1
1 37 . 8 1 1 A 6 6 SER H H 6 8.220 8.817 -0.597 1
1 38 . 8 1 1 A 6 6 SER HA H 6 4.580 5.163 -0.583 1
1 41 . 8 1 1 A 6 6 SER C C 6 174.200 172.464 1.736 1
1 42 . 8 1 1 A 6 6 SER CA C 6 59.100 56.741 2.359 1
1 43 . 8 1 1 A 6 6 SER CB C 6 63.800 65.405 -1.605 1
1 44 . 8 1 1 A 6 6 SER N N 6 117.000 120.005 -3.005 1
1 45 . 8 1 1 A 7 7 VAL H H 7 8.750 8.640 0.110 1
1 46 . 8 1 1 A 7 7 VAL HA H 7 4.840 4.850 -0.010 1
1 54 . 8 1 1 A 7 7 VAL C C 7 175.800 173.310 2.490 1
1 55 . 8 1 1 A 7 7 VAL CA C 7 61.800 59.547 2.253 1
1 56 . 8 1 1 A 7 7 VAL CB C 7 33.800 34.959 -1.159 1
1 59 . 8 1 1 A 7 7 VAL N N 7 124.100 122.801 1.299 1
1 60 . 8 1 1 A 8 8 THR H H 8 8.880 8.323 0.557 1
1 61 . 8 1 1 A 8 8 THR HA H 8 5.360 5.221 0.139 1
1 66 . 8 1 1 A 8 8 THR C C 8 172.500 172.930 -0.430 1
1 67 . 8 1 1 A 8 8 THR CA C 8 61.700 61.469 0.231 1
1 68 . 8 1 1 A 8 8 THR CB C 8 70.600 71.642 -1.042 1
1 70 . 8 1 1 A 8 8 THR N N 8 124.500 122.693 1.807 1
1 71 . 8 1 1 A 9 9 ILE H H 9 9.170 9.573 -0.403 1
1 72 . 8 1 1 A 9 9 ILE HA H 9 5.610 5.536 0.074 1
1 82 . 8 1 1 A 9 9 ILE C C 9 172.500 173.321 -0.821 1
1 83 . 8 1 1 A 9 9 ILE CA C 9 58.300 58.672 -0.372 1
1 84 . 8 1 1 A 9 9 ILE CB C 9 42.400 41.619 0.781 1
1 88 . 8 1 1 A 9 9 ILE N N 9 123.900 128.023 -4.123 1
1 89 . 8 1 1 A 10 10 TYR H H 10 9.740 9.144 0.596 1
1 90 . 8 1 1 A 10 10 TYR HA H 10 5.410 5.607 -0.197 1
1 95 . 8 1 1 A 10 10 TYR C C 10 177.500 176.123 1.377 1
1 96 . 8 1 1 A 10 10 TYR CA C 10 56.500 56.140 0.360 1
1 97 . 8 1 1 A 10 10 TYR CB C 10 40.300 41.044 -0.744 1
1 100 . 8 1 1 A 10 10 TYR N N 10 125.300 128.294 -2.994 1
1 101 . 8 1 1 A 11 11 GLY H H 11 7.880 8.706 -0.826 1
1 102 . 8 1 1 A 11 11 GLY HA2 H 11 4.700 4.420 0.280 1
1 103 . 8 1 1 A 11 11 GLY HA3 H 11 4.700 4.508 0.192 1
1 104 . 8 1 1 A 11 11 GLY C C 11 170.000 172.497 -2.497 1
1 105 . 8 1 1 A 11 11 GLY CA C 11 46.700 45.923 0.777 1
1 106 . 8 1 1 A 11 11 GLY N N 11 108.600 109.895 -1.295 1
1 107 . 8 1 1 A 12 12 ILE H H 12 6.340 8.896 -2.556 1
1 108 . 8 1 1 A 12 12 ILE HA H 12 5.330 5.489 -0.159 1
1 118 . 8 1 1 A 12 12 ILE C C 12 175.100 174.848 0.252 1
1 119 . 8 1 1 A 12 12 ILE CA C 12 59.300 58.954 0.346 1
1 120 . 8 1 1 A 12 12 ILE CB C 12 41.000 42.252 -1.252 1
1 124 . 8 1 1 A 12 12 ILE N N 12 113.300 117.365 -4.065 1
1 125 . 8 1 1 A 13 13 LYS H H 13 9.450 8.771 0.679 1
1 126 . 8 1 1 A 13 13 LYS HA H 13 4.090 4.579 -0.489 1
1 129 . 8 1 1 A 13 13 LYS C C 13 177.800 176.479 1.321 1
1 130 . 8 1 1 A 13 13 LYS CA C 13 59.200 56.262 2.938 1
1 131 . 8 1 1 A 13 13 LYS CB C 13 33.600 33.507 0.093 1
1 133 . 8 1 1 A 13 13 LYS N N 13 120.900 119.860 1.040 1
1 134 . 8 1 1 A 14 14 ASN H H 14 8.700 9.262 -0.562 1
1 135 . 8 1 1 A 14 14 ASN HA H 14 4.690 4.356 0.334 1
1 140 . 8 1 1 A 14 14 ASN C C 14 173.100 174.231 -1.131 1
1 141 . 8 1 1 A 14 14 ASN CA C 14 52.700 53.976 -1.276 1
1 142 . 8 1 1 A 14 14 ASN CB C 14 36.300 37.194 -0.894 1
1 143 . 8 1 1 A 14 14 ASN N N 14 116.600 118.327 -1.727 1
1 145 . 8 1 1 A 15 15 CYS H H 15 7.440 7.876 -0.436 1
1 146 . 8 1 1 A 15 15 CYS HA H 15 4.510 4.886 -0.376 1
1 149 . 8 1 1 A 15 15 CYS CA C 15 59.100 57.491 1.609 1
1 150 . 8 1 1 A 15 15 CYS CB C 15 30.800 31.078 -0.278 1
1 151 . 8 1 1 A 15 15 CYS N N 15 124.400 119.004 5.396 1
1 152 . 8 1 1 A 16 16 ASP HA H 16 4.460 4.694 -0.234 1
1 155 . 8 1 1 A 16 16 ASP C C 16 178.000 178.379 -0.379 1
1 156 . 8 1 1 A 16 16 ASP CA C 16 57.500 55.738 1.762 1
1 157 . 8 1 1 A 16 16 ASP CB C 16 41.400 41.624 -0.224 1
1 158 . 8 1 1 A 17 17 THR H H 17 9.210 7.866 1.344 1
1 159 . 8 1 1 A 17 17 THR HA H 17 4.000 3.804 0.196 1
1 164 . 8 1 1 A 17 17 THR C C 17 176.000 176.933 -0.933 1
1 165 . 8 1 1 A 17 17 THR CA C 17 67.400 67.172 0.228 1
1 166 . 8 1 1 A 17 17 THR CB C 17 68.200 68.476 -0.276 1
1 168 . 8 1 1 A 17 17 THR N N 17 122.200 116.982 5.218 1
1 169 . 8 1 1 A 18 18 MET H H 18 8.940 8.170 0.770 1
1 170 . 8 1 1 A 18 18 MET HA H 18 3.990 3.969 0.021 1
1 176 . 8 1 1 A 18 18 MET C C 18 178.300 178.894 -0.594 1
1 177 . 8 1 1 A 18 18 MET CA C 18 56.000 59.188 -3.188 1
1 178 . 8 1 1 A 18 18 MET CB C 18 31.400 32.535 -1.135 1
1 181 . 8 1 1 A 18 18 MET N N 18 125.300 118.002 7.298 1
1 182 . 8 1 1 A 19 19 LYS H H 19 8.080 8.097 -0.017 1
1 183 . 8 1 1 A 19 19 LYS HA H 19 3.800 3.852 -0.052 1
1 186 . 8 1 1 A 19 19 LYS CA C 19 60.000 59.690 0.310 1
1 187 . 8 1 1 A 19 19 LYS CB C 19 32.500 32.548 -0.048 1
1 191 . 8 1 1 A 19 19 LYS N N 19 117.900 120.962 -3.062 1
1 192 . 8 1 1 A 20 20 LYS H H 20 7.510 7.970 -0.460 1
1 193 . 8 1 1 A 20 20 LYS HA H 20 3.790 4.080 -0.290 1
1 198 . 8 1 1 A 20 20 LYS C C 20 178.500 179.015 -0.515 1
1 199 . 8 1 1 A 20 20 LYS CA C 20 59.500 59.713 -0.213 1
1 200 . 8 1 1 A 20 20 LYS CB C 20 32.800 32.614 0.186 1
1 204 . 8 1 1 A 20 20 LYS N N 20 117.500 119.102 -1.602 1
1 205 . 8 1 1 A 21 21 ALA H H 21 7.730 8.269 -0.539 1
1 206 . 8 1 1 A 21 21 ALA HA H 21 2.540 4.007 -1.467 1
1 210 . 8 1 1 A 21 21 ALA C C 21 178.700 179.763 -1.063 1
1 211 . 8 1 1 A 21 21 ALA CA C 21 54.400 55.054 -0.654 1
1 212 . 8 1 1 A 21 21 ALA CB C 21 19.000 18.280 0.720 1
1 213 . 8 1 1 A 21 21 ALA N N 21 123.600 122.369 1.231 1
1 214 . 8 1 1 A 22 22 ARG H H 22 8.110 8.336 -0.226 1
1 215 . 8 1 1 A 22 22 ARG HA H 22 3.490 4.026 -0.536 1
1 222 . 8 1 1 A 22 22 ARG C C 22 178.200 178.536 -0.336 1
1 223 . 8 1 1 A 22 22 ARG CA C 22 60.500 59.401 1.099 1
1 224 . 8 1 1 A 22 22 ARG CB C 22 30.700 29.905 0.795 1
1 227 . 8 1 1 A 22 22 ARG N N 22 116.100 118.247 -2.147 1
1 228 . 8 1 1 A 23 23 ILE H H 23 7.860 8.112 -0.252 1
1 229 . 8 1 1 A 23 23 ILE HA H 23 3.710 3.747 -0.037 1
1 239 . 8 1 1 A 23 23 ILE C C 23 177.200 178.572 -1.372 1
1 240 . 8 1 1 A 23 23 ILE CA C 23 65.000 64.986 0.014 1
1 241 . 8 1 1 A 23 23 ILE CB C 23 38.000 37.460 0.540 1
1 245 . 8 1 1 A 23 23 ILE N N 23 119.400 118.804 0.596 1
1 246 . 8 1 1 A 24 24 TRP H H 24 7.880 8.181 -0.301 1
1 247 . 8 1 1 A 24 24 TRP HA H 24 4.270 4.370 -0.100 1
1 256 . 8 1 1 A 24 24 TRP C C 24 176.100 178.295 -2.195 1
1 257 . 8 1 1 A 24 24 TRP CA C 24 63.100 61.225 1.875 1
1 258 . 8 1 1 A 24 24 TRP CB C 24 30.200 29.668 0.532 1
1 264 . 8 1 1 A 24 24 TRP N N 24 121.000 122.309 -1.309 1
1 266 . 8 1 1 A 25 25 LEU H H 25 8.690 8.839 -0.149 1
1 267 . 8 1 1 A 25 25 LEU HA H 25 4.000 4.015 -0.015 1
1 277 . 8 1 1 A 25 25 LEU C C 25 178.600 179.302 -0.702 1
1 278 . 8 1 1 A 25 25 LEU CA C 25 59.700 58.112 1.588 1
1 279 . 8 1 1 A 25 25 LEU CB C 25 41.200 41.554 -0.354 1
1 283 . 8 1 1 A 25 25 LEU N N 25 121.800 119.832 1.968 1
1 284 . 8 1 1 A 26 26 GLU H H 26 8.580 8.681 -0.101 1
1 285 . 8 1 1 A 26 26 GLU HA H 26 4.200 4.027 0.173 1
1 290 . 8 1 1 A 26 26 GLU C C 26 181.200 178.582 2.618 1
1 291 . 8 1 1 A 26 26 GLU CA C 26 59.500 59.432 0.068 1
1 292 . 8 1 1 A 26 26 GLU CB C 26 28.800 29.044 -0.244 1
1 294 . 8 1 1 A 26 26 GLU N N 26 120.600 117.800 2.800 1
1 295 . 8 1 1 A 27 27 ASP H H 27 9.360 8.077 1.283 1
1 296 . 8 1 1 A 27 27 ASP HA H 27 4.270 4.342 -0.072 1
1 299 . 8 1 1 A 27 27 ASP C C 27 177.400 178.700 -1.300 1
1 300 . 8 1 1 A 27 27 ASP CA C 27 56.400 57.081 -0.681 1
1 301 . 8 1 1 A 27 27 ASP CB C 27 40.000 41.294 -1.294 1
1 302 . 8 1 1 A 27 27 ASP N N 27 121.800 120.704 1.096 1
1 303 . 8 1 1 A 28 28 HIS H H 28 7.340 7.585 -0.245 1
1 304 . 8 1 1 A 28 28 HIS HA H 28 4.250 4.204 0.046 1
1 309 . 8 1 1 A 28 28 HIS C C 28 173.600 175.380 -1.780 1
1 310 . 8 1 1 A 28 28 HIS CA C 28 56.700 55.915 0.785 1
1 311 . 8 1 1 A 28 28 HIS CB C 28 27.500 29.729 -2.229 1
1 314 . 8 1 1 A 28 28 HIS N N 28 113.400 114.985 -1.585 1
1 315 . 8 1 1 A 29 29 GLY H H 29 7.790 8.344 -0.554 1
1 316 . 8 1 1 A 29 29 GLY HA2 H 29 3.870 3.816 0.054 1
1 317 . 8 1 1 A 29 29 GLY HA3 H 29 3.870 3.832 0.038 1
1 318 . 8 1 1 A 29 29 GLY C C 29 174.200 174.488 -0.288 1
1 319 . 8 1 1 A 29 29 GLY CA C 29 46.900 46.249 0.651 1
1 320 . 8 1 1 A 29 29 GLY N N 29 109.400 107.518 1.882 1
1 321 . 8 1 1 A 30 30 ILE H H 30 8.120 7.854 0.266 1
1 322 . 8 1 1 A 30 30 ILE HA H 30 4.040 4.614 -0.574 1
1 332 . 8 1 1 A 30 30 ILE C C 30 175.500 174.581 0.919 1
1 333 . 8 1 1 A 30 30 ILE CA C 30 60.000 60.007 -0.007 1
1 334 . 8 1 1 A 30 30 ILE CB C 30 38.100 39.702 -1.602 1
1 338 . 8 1 1 A 30 30 ILE N N 30 121.800 120.153 1.647 1
1 339 . 8 1 1 A 31 31 ASP H H 31 8.430 8.837 -0.407 1
1 340 . 8 1 1 A 31 31 ASP HA H 31 4.650 5.254 -0.604 1
1 343 . 8 1 1 A 31 31 ASP C C 31 175.800 175.080 0.720 1
1 344 . 8 1 1 A 31 31 ASP CA C 31 54.600 53.100 1.500 1
1 345 . 8 1 1 A 31 31 ASP CB C 31 41.600 42.606 -1.006 1
1 346 . 8 1 1 A 31 31 ASP N N 31 128.500 127.299 1.201 1
1 347 . 8 1 1 A 32 32 TYR H H 32 7.920 9.174 -1.254 1
1 348 . 8 1 1 A 32 32 TYR HA H 32 5.500 4.945 0.555 1
1 355 . 8 1 1 A 32 32 TYR C C 32 173.800 175.022 -1.222 1
1 356 . 8 1 1 A 32 32 TYR CA C 32 56.100 57.175 -1.075 1
1 357 . 8 1 1 A 32 32 TYR CB C 32 41.700 42.313 -0.613 1
1 362 . 8 1 1 A 32 32 TYR N N 32 117.500 125.192 -7.692 1
1 363 . 8 1 1 A 33 33 THR H H 33 8.900 8.941 -0.041 1
1 364 . 8 1 1 A 33 33 THR HA H 33 4.470 4.709 -0.239 1
1 369 . 8 1 1 A 33 33 THR C C 33 172.900 173.971 -1.071 1
1 370 . 8 1 1 A 33 33 THR CA C 33 61.800 62.499 -0.699 1
1 371 . 8 1 1 A 33 33 THR CB C 33 70.800 69.555 1.245 1
1 373 . 8 1 1 A 33 33 THR N N 33 117.100 119.114 -2.014 1
1 374 . 8 1 1 A 34 34 PHE H H 34 9.280 9.042 0.238 1
1 375 . 8 1 1 A 34 34 PHE HA H 34 5.520 4.782 0.738 1
1 383 . 8 1 1 A 34 34 PHE CA C 34 53.900 58.195 -4.295 1
1 384 . 8 1 1 A 34 34 PHE CB C 34 39.900 39.607 0.293 1
1 390 . 8 1 1 A 34 34 PHE N N 34 128.200 127.764 0.436 1
1 391 . 8 1 1 A 35 35 HIS H H 35 9.210 8.752 0.458 1
1 392 . 8 1 1 A 35 35 HIS HA H 35 4.240 4.911 -0.671 1
1 397 . 8 1 1 A 35 35 HIS CA C 35 54.900 53.950 0.950 1
1 398 . 8 1 1 A 35 35 HIS CB C 35 30.700 32.492 -1.792 1
1 401 . 8 1 1 A 35 35 HIS N N 35 133.900 127.929 5.971 1
1 402 . 8 1 1 A 36 36 ASP H H 36 7.930 8.320 -0.390 1
1 403 . 8 1 1 A 36 36 ASP HA H 36 4.470 5.149 -0.679 1
1 406 . 8 1 1 A 36 36 ASP C C 36 178.500 176.675 1.825 1
1 407 . 8 1 1 A 36 36 ASP CA C 36 50.900 52.750 -1.850 1
1 408 . 8 1 1 A 36 36 ASP CB C 36 42.200 42.327 -0.127 1
1 409 . 8 1 1 A 36 36 ASP N N 36 127.000 125.064 1.936 1
1 410 . 8 1 1 A 37 37 TYR H H 37 9.290 9.132 0.158 1
1 417 . 8 1 1 A 37 37 TYR C C 37 178.700 177.529 1.171 1
1 418 . 8 1 1 A 37 37 TYR CA C 37 58.700 61.072 -2.372 1
1 419 . 8 1 1 A 37 37 TYR CB C 37 39.100 37.951 1.149 1
1 424 . 8 1 1 A 37 37 TYR N N 37 126.400 122.265 4.135 1
1 425 . 8 1 1 A 38 38 LYS H H 38 8.880 7.568 1.312 1
1 426 . 8 1 1 A 38 38 LYS HA H 38 4.300 3.694 0.606 1
1 429 . 8 1 1 A 38 38 LYS CA C 38 57.700 58.868 -1.168 1
1 430 . 8 1 1 A 38 38 LYS CB C 38 31.600 31.497 0.103 1
1 434 . 8 1 1 A 38 38 LYS N N 38 115.800 122.100 -6.300 1
1 435 . 8 1 1 A 39 39 LYS H H 39 7.330 7.718 -0.388 1
1 436 . 8 1 1 A 39 39 LYS HA H 39 4.420 3.820 0.600 1
1 443 . 8 1 1 A 39 39 LYS CA C 39 57.500 58.913 -1.413 1
1 444 . 8 1 1 A 39 39 LYS CB C 39 34.600 32.098 2.502 1
1 448 . 8 1 1 A 39 39 LYS N N 39 118.800 118.566 0.234 1
1 449 . 8 1 1 A 40 40 GLU H H 40 8.570 7.577 0.993 1
1 450 . 8 1 1 A 40 40 GLU HA H 40 4.280 4.364 -0.084 1
1 455 . 8 1 1 A 40 40 GLU CA C 40 57.900 57.143 0.757 1
1 456 . 8 1 1 A 40 40 GLU CB C 40 29.300 31.634 -2.334 1
1 458 . 8 1 1 A 40 40 GLU N N 40 117.600 115.359 2.241 1
1 459 . 8 1 1 A 41 41 GLY H H 41 7.470 7.560 -0.090 1
1 460 . 8 1 1 A 41 41 GLY HA2 H 41 4.310 4.087 0.223 1
1 461 . 8 1 1 A 41 41 GLY HA3 H 41 4.170 4.090 0.080 1
1 462 . 8 1 1 A 41 41 GLY CA C 41 44.900 44.905 -0.005 1
1 463 . 8 1 1 A 41 41 GLY N N 41 106.300 106.200 0.100 1
1 464 . 8 1 1 A 42 42 LEU H H 42 8.290 8.538 -0.248 1
1 465 . 8 1 1 A 42 42 LEU HA H 42 4.950 4.553 0.397 1
1 475 . 8 1 1 A 42 42 LEU C C 42 173.800 175.492 -1.692 1
1 476 . 8 1 1 A 42 42 LEU CA C 42 54.500 55.717 -1.217 1
1 477 . 8 1 1 A 42 42 LEU CB C 42 43.400 42.683 0.717 1
1 481 . 8 1 1 A 42 42 LEU N N 42 121.000 125.631 -4.631 1
1 482 . 8 1 1 A 43 43 ASP H H 43 8.520 8.789 -0.269 1
1 483 . 8 1 1 A 43 43 ASP HA H 43 4.800 4.972 -0.172 1
1 486 . 8 1 1 A 43 43 ASP C C 43 175.400 177.191 -1.791 1
1 487 . 8 1 1 A 43 43 ASP CA C 43 51.600 52.770 -1.170 1
1 488 . 8 1 1 A 43 43 ASP CB C 43 42.200 43.267 -1.067 1
1 489 . 8 1 1 A 43 43 ASP N N 43 124.800 127.078 -2.278 1
1 490 . 8 1 1 A 44 44 ALA H H 44 8.640 8.771 -0.131 1
1 491 . 8 1 1 A 44 44 ALA HA H 44 3.780 4.035 -0.255 1
1 495 . 8 1 1 A 44 44 ALA C C 44 178.100 179.711 -1.611 1
1 496 . 8 1 1 A 44 44 ALA CA C 44 55.400 55.489 -0.089 1
1 497 . 8 1 1 A 44 44 ALA CB C 44 18.100 18.168 -0.068 1
1 498 . 8 1 1 A 44 44 ALA N N 44 122.400 122.746 -0.346 1
1 499 . 8 1 1 A 45 45 GLU H H 45 8.240 8.122 0.118 1
1 500 . 8 1 1 A 45 45 GLU HA H 45 3.920 3.969 -0.049 1
1 505 . 8 1 1 A 45 45 GLU C C 45 179.300 178.440 0.860 1
1 506 . 8 1 1 A 45 45 GLU CA C 45 59.800 59.727 0.073 1
1 507 . 8 1 1 A 45 45 GLU CB C 45 29.200 29.521 -0.321 1
1 509 . 8 1 1 A 45 45 GLU N N 45 115.600 118.947 -3.347 1
1 510 . 8 1 1 A 46 46 THR H H 46 7.910 8.029 -0.119 1
1 511 . 8 1 1 A 46 46 THR HA H 46 3.500 3.488 0.012 1
1 516 . 8 1 1 A 46 46 THR C C 46 174.300 175.992 -1.692 1
1 517 . 8 1 1 A 46 46 THR CA C 46 66.600 65.371 1.229 1
1 518 . 8 1 1 A 46 46 THR CB C 46 67.700 68.139 -0.439 1
1 520 . 8 1 1 A 46 46 THR N N 46 117.700 114.167 3.533 1
1 521 . 8 1 1 A 47 47 LEU H H 47 7.710 8.142 -0.432 1
1 522 . 8 1 1 A 47 47 LEU HA H 47 3.510 4.061 -0.551 1
1 532 . 8 1 1 A 47 47 LEU C C 47 178.000 178.122 -0.122 1
1 533 . 8 1 1 A 47 47 LEU CA C 47 57.900 58.199 -0.299 1
1 534 . 8 1 1 A 47 47 LEU CB C 47 41.500 41.408 0.092 1
1 538 . 8 1 1 A 47 47 LEU N N 47 120.400 123.769 -3.369 1
1 539 . 8 1 1 A 48 48 ASP H H 48 9.000 8.558 0.442 1
1 540 . 8 1 1 A 48 48 ASP HA H 48 4.490 4.254 0.236 1
1 543 . 8 1 1 A 48 48 ASP C C 48 179.100 178.594 0.506 1
1 544 . 8 1 1 A 48 48 ASP CA C 48 57.500 57.732 -0.232 1
1 545 . 8 1 1 A 48 48 ASP CB C 48 39.100 41.217 -2.117 1
1 546 . 8 1 1 A 48 48 ASP N N 48 116.800 118.601 -1.801 1
1 547 . 8 1 1 A 49 49 ARG H H 49 7.560 7.767 -0.207 1
1 548 . 8 1 1 A 49 49 ARG HA H 49 4.110 3.939 0.171 1
1 555 . 8 1 1 A 49 49 ARG C C 49 180.100 179.076 1.024 1
1 556 . 8 1 1 A 49 49 ARG CA C 49 60.300 59.358 0.942 1
1 557 . 8 1 1 A 49 49 ARG CB C 49 29.600 29.338 0.262 1
1 560 . 8 1 1 A 49 49 ARG N N 49 122.100 118.830 3.270 1
1 561 . 8 1 1 A 50 50 PHE H H 50 8.300 7.640 0.660 1
1 562 . 8 1 1 A 50 50 PHE HA H 50 4.550 4.267 0.283 1
1 569 . 8 1 1 A 50 50 PHE C C 50 178.400 178.260 0.140 1
1 570 . 8 1 1 A 50 50 PHE CA C 50 57.500 60.918 -3.418 1
1 571 . 8 1 1 A 50 50 PHE CB C 50 36.900 38.874 -1.974 1
1 576 . 8 1 1 A 50 50 PHE N N 50 122.100 119.534 2.566 1
1 577 . 8 1 1 A 51 51 LEU H H 51 8.460 8.437 0.023 1
1 587 . 8 1 1 A 51 51 LEU CA C 51 55.920 58.136 -2.216 1
1 588 . 8 1 1 A 51 51 LEU CB C 51 42.400 41.243 1.157 1
1 592 . 8 1 1 A 51 51 LEU N N 51 117.000 120.437 -3.437 1
1 593 . 8 1 1 A 52 52 LYS H H 52 7.660 8.063 -0.403 1
1 594 . 8 1 1 A 52 52 LYS HA H 52 4.180 4.058 0.122 1
1 603 . 8 1 1 A 52 52 LYS C C 52 178.300 179.273 -0.973 1
1 604 . 8 1 1 A 52 52 LYS CA C 52 58.700 59.318 -0.618 1
1 605 . 8 1 1 A 52 52 LYS CB C 52 32.700 32.633 0.067 1
1 609 . 8 1 1 A 52 52 LYS N N 52 119.100 120.300 -1.200 1
1 610 . 8 1 1 A 53 53 THR H H 53 7.430 7.554 -0.124 1
1 611 . 8 1 1 A 53 53 THR HA H 53 4.570 4.134 0.436 1
1 616 . 8 1 1 A 53 53 THR C C 53 173.800 174.901 -1.101 1
1 617 . 8 1 1 A 53 53 THR CA C 53 62.600 65.733 -3.133 1
1 618 . 8 1 1 A 53 53 THR CB C 53 70.800 69.378 1.422 1
1 620 . 8 1 1 A 53 53 THR N N 53 107.400 111.805 -4.405 1
1 621 . 8 1 1 A 54 54 VAL H H 54 8.500 8.165 0.335 1
1 622 . 8 1 1 A 54 54 VAL HA H 54 4.540 4.588 -0.048 1
1 630 . 8 1 1 A 54 54 VAL C C 54 179.400 173.468 5.932 1
1 631 . 8 1 1 A 54 54 VAL CA C 54 59.100 58.917 0.183 1
1 632 . 8 1 1 A 54 54 VAL CB C 54 33.500 35.336 -1.836 1
1 635 . 8 1 1 A 54 54 VAL N N 54 125.200 119.495 5.705 1
1 636 . 8 1 1 A 55 55 PRO HA H 55 4.590 4.562 0.028 1
1 643 . 8 1 1 A 55 55 PRO C C 55 179.400 177.713 1.687 1
1 644 . 8 1 1 A 55 55 PRO CA C 55 62.100 62.587 -0.487 1
1 645 . 8 1 1 A 55 55 PRO CB C 55 32.900 32.690 0.210 1
1 648 . 8 1 1 A 56 56 TRP H H 56 8.690 8.866 -0.176 1
1 649 . 8 1 1 A 56 56 TRP HA H 56 3.990 4.327 -0.337 1
1 657 . 8 1 1 A 56 56 TRP C C 56 177.500 177.811 -0.311 1
1 658 . 8 1 1 A 56 56 TRP CA C 56 61.000 60.455 0.545 1
1 659 . 8 1 1 A 56 56 TRP CB C 56 27.400 28.444 -1.044 1
1 664 . 8 1 1 A 56 56 TRP N N 56 122.500 125.014 -2.514 1
1 666 . 8 1 1 A 57 57 GLU H H 57 8.410 7.723 0.687 1
1 667 . 8 1 1 A 57 57 GLU HA H 57 3.270 3.840 -0.570 1
1 672 . 8 1 1 A 57 57 GLU C C 57 178.000 176.979 1.021 1
1 673 . 8 1 1 A 57 57 GLU CA C 57 60.200 58.682 1.518 1
1 674 . 8 1 1 A 57 57 GLU CB C 57 28.200 28.262 -0.062 1
1 676 . 8 1 1 A 57 57 GLU N N 57 120.600 118.363 2.237 1
1 677 . 8 1 1 A 58 58 GLN H H 58 7.600 7.743 -0.143 1
1 678 . 8 1 1 A 58 58 GLN HA H 58 4.170 4.531 -0.361 1
1 683 . 8 1 1 A 58 58 GLN C C 58 175.500 175.714 -0.214 1
1 684 . 8 1 1 A 58 58 GLN CA C 58 56.000 54.867 1.133 1
1 685 . 8 1 1 A 58 58 GLN CB C 58 29.600 28.805 0.795 1
1 687 . 8 1 1 A 58 58 GLN N N 58 114.700 118.310 -3.610 1
1 688 . 8 1 1 A 59 59 LEU H H 59 7.440 8.222 -0.782 1
1 689 . 8 1 1 A 59 59 LEU HA H 59 4.220 4.518 -0.298 1
1 699 . 8 1 1 A 59 59 LEU C C 59 175.100 175.888 -0.788 1
1 700 . 8 1 1 A 59 59 LEU CA C 59 55.600 54.081 1.519 1
1 701 . 8 1 1 A 59 59 LEU CB C 59 44.700 43.502 1.198 1
1 705 . 8 1 1 A 59 59 LEU N N 59 119.500 121.492 -1.992 1
1 706 . 8 1 1 A 60 60 LEU H H 60 8.120 7.506 0.614 1
1 707 . 8 1 1 A 60 60 LEU HA H 60 4.410 4.930 -0.520 1
1 717 . 8 1 1 A 60 60 LEU C C 60 176.100 175.504 0.596 1
1 718 . 8 1 1 A 60 60 LEU CA C 60 55.400 53.454 1.946 1
1 719 . 8 1 1 A 60 60 LEU CB C 60 42.900 45.296 -2.396 1
1 723 . 8 1 1 A 60 60 LEU N N 60 119.300 117.418 1.882 1
1 724 . 8 1 1 A 61 61 ASN H H 61 9.120 8.721 0.399 1
1 729 . 8 1 1 A 61 61 ASN C C 61 175.600 174.802 0.798 1
1 730 . 8 1 1 A 61 61 ASN CA C 61 51.300 53.808 -2.508 1
1 731 . 8 1 1 A 61 61 ASN CB C 61 36.800 38.945 -2.145 1
1 732 . 8 1 1 A 61 61 ASN N N 61 124.900 117.837 7.063 1
1 734 . 8 1 1 A 62 62 ARG H H 62 8.140 9.003 -0.863 1
1 735 . 8 1 1 A 62 62 ARG HA H 62 3.450 4.148 -0.698 1
1 742 . 8 1 1 A 62 62 ARG C C 62 175.200 176.996 -1.796 1
1 743 . 8 1 1 A 62 62 ARG CA C 62 57.600 56.516 1.084 1
1 744 . 8 1 1 A 62 62 ARG CB C 62 30.200 32.025 -1.825 1
1 747 . 8 1 1 A 62 62 ARG N N 62 125.500 121.257 4.243 1
1 748 . 8 1 1 A 63 63 ALA H H 63 7.610 7.610 0.000 1
1 749 . 8 1 1 A 63 63 ALA HA H 63 4.460 4.367 0.093 1
1 753 . 8 1 1 A 63 63 ALA C C 63 178.300 177.106 1.194 1
1 754 . 8 1 1 A 63 63 ALA CA C 63 51.800 51.392 0.408 1
1 755 . 8 1 1 A 63 63 ALA CB C 63 19.300 18.890 0.410 1
1 756 . 8 1 1 A 63 63 ALA N N 63 118.600 119.772 -1.172 1
1 757 . 8 1 1 A 64 64 GLY H H 64 7.150 8.394 -1.244 1
1 758 . 8 1 1 A 64 64 GLY HA2 H 64 4.410 4.098 0.312 1
1 759 . 8 1 1 A 64 64 GLY HA3 H 64 4.020 4.107 -0.087 1
1 760 . 8 1 1 A 64 64 GLY C C 64 173.500 174.940 -1.440 1
1 761 . 8 1 1 A 64 64 GLY CA C 64 45.400 43.996 1.404 1
1 762 . 8 1 1 A 64 64 GLY N N 64 105.700 107.332 -1.632 1
1 763 . 8 1 1 A 65 65 THR H H 65 8.340 9.077 -0.737 1
1 764 . 8 1 1 A 65 65 THR HA H 65 3.880 4.052 -0.172 1
1 769 . 8 1 1 A 65 65 THR C C 65 176.300 176.307 -0.007 1
1 770 . 8 1 1 A 65 65 THR CA C 65 65.500 65.799 -0.299 1
1 771 . 8 1 1 A 65 65 THR CB C 65 69.000 68.459 0.541 1
1 773 . 8 1 1 A 65 65 THR N N 65 113.400 114.320 -0.920 1
1 774 . 8 1 1 A 66 66 THR H H 66 7.940 8.044 -0.104 1
1 775 . 8 1 1 A 66 66 THR HA H 66 3.820 3.977 -0.157 1
1 780 . 8 1 1 A 66 66 THR C C 66 176.100 176.503 -0.403 1
1 781 . 8 1 1 A 66 66 THR CA C 66 67.000 66.710 0.290 1
1 782 . 8 1 1 A 66 66 THR CB C 66 68.000 68.761 -0.761 1
1 784 . 8 1 1 A 66 66 THR N N 66 116.200 116.520 -0.320 1
1 785 . 8 1 1 A 67 67 PHE H H 67 8.720 7.957 0.763 1
1 786 . 8 1 1 A 67 67 PHE HA H 67 4.130 4.085 0.045 1
1 793 . 8 1 1 A 67 67 PHE C C 67 176.900 177.421 -0.521 1
1 794 . 8 1 1 A 67 67 PHE CA C 67 61.500 61.050 0.450 1
1 795 . 8 1 1 A 67 67 PHE CB C 67 39.800 39.082 0.718 1
1 800 . 8 1 1 A 67 67 PHE N N 67 122.400 120.500 1.900 1
1 801 . 8 1 1 A 68 68 ARG H H 68 7.750 7.943 -0.193 1
1 802 . 8 1 1 A 68 68 ARG HA H 68 3.790 4.393 -0.603 1
1 809 . 8 1 1 A 68 68 ARG C C 68 176.800 178.365 -1.565 1
1 810 . 8 1 1 A 68 68 ARG CA C 68 59.200 58.016 1.184 1
1 811 . 8 1 1 A 68 68 ARG CB C 68 30.200 29.956 0.244 1
1 814 . 8 1 1 A 68 68 ARG N N 68 114.400 117.922 -3.522 1
1 815 . 8 1 1 A 69 69 LYS H H 69 7.360 7.569 -0.209 1
1 816 . 8 1 1 A 69 69 LYS HA H 69 4.190 4.042 0.148 1
1 819 . 8 1 1 A 69 69 LYS C C 69 177.400 176.457 0.943 1
1 820 . 8 1 1 A 69 69 LYS CA C 69 56.700 59.075 -2.375 1
1 821 . 8 1 1 A 69 69 LYS CB C 69 33.000 32.374 0.626 1
1 825 . 8 1 1 A 69 69 LYS N N 69 115.600 119.828 -4.228 1
1 826 . 8 1 1 A 70 70 LEU H H 70 7.440 7.556 -0.116 1
1 827 . 8 1 1 A 70 70 LEU HA H 70 4.350 4.422 -0.072 1
1 830 . 8 1 1 A 70 70 LEU CA C 70 53.800 52.448 1.352 1
1 831 . 8 1 1 A 70 70 LEU CB C 70 41.000 41.294 -0.294 1
1 832 . 8 1 1 A 70 70 LEU N N 70 121.400 120.562 0.838 1
1 833 . 8 1 1 A 71 71 PRO HA H 71 4.460 4.530 -0.070 1
1 840 . 8 1 1 A 71 71 PRO C C 71 177.500 177.054 0.446 1
1 841 . 8 1 1 A 71 71 PRO CA C 71 62.800 62.267 0.533 1
1 842 . 8 1 1 A 71 71 PRO CB C 71 32.600 33.345 -0.745 1
1 845 . 8 1 1 A 72 72 GLU H H 72 9.010 8.751 0.259 1
1 846 . 8 1 1 A 72 72 GLU HA H 72 3.650 4.021 -0.371 1
1 851 . 8 1 1 A 72 72 GLU C C 72 177.600 178.694 -1.094 1
1 852 . 8 1 1 A 72 72 GLU CA C 72 60.500 59.245 1.255 1
1 853 . 8 1 1 A 72 72 GLU CB C 72 29.900 29.085 0.815 1
1 855 . 8 1 1 A 72 72 GLU N N 72 124.100 121.750 2.350 1
1 856 . 8 1 1 A 73 73 ASP H H 73 8.860 7.984 0.876 1
1 857 . 8 1 1 A 73 73 ASP HA H 73 4.290 4.357 -0.067 1
1 860 . 8 1 1 A 73 73 ASP C C 73 177.600 178.613 -1.013 1
1 861 . 8 1 1 A 73 73 ASP CA C 73 56.700 57.898 -1.198 1
1 862 . 8 1 1 A 73 73 ASP CB C 73 39.300 41.619 -2.319 1
1 863 . 8 1 1 A 73 73 ASP N N 73 116.200 120.515 -4.315 1
1 864 . 8 1 1 A 74 74 VAL H H 74 7.120 8.104 -0.984 1
1 865 . 8 1 1 A 74 74 VAL HA H 74 3.740 3.467 0.273 1
1 873 . 8 1 1 A 74 74 VAL C C 74 178.200 177.981 0.219 1
1 874 . 8 1 1 A 74 74 VAL CA C 74 65.000 67.026 -2.026 1
1 875 . 8 1 1 A 74 74 VAL CB C 74 32.100 31.242 0.858 1
1 878 . 8 1 1 A 74 74 VAL N N 74 120.400 119.059 1.341 1
1 879 . 8 1 1 A 75 75 ARG H H 75 7.700 7.680 0.020 1
1 880 . 8 1 1 A 75 75 ARG HA H 75 3.790 4.014 -0.224 1
1 887 . 8 1 1 A 75 75 ARG C C 75 178.500 177.468 1.032 1
1 888 . 8 1 1 A 75 75 ARG CA C 75 59.600 58.947 0.653 1
1 889 . 8 1 1 A 75 75 ARG CB C 75 31.100 29.750 1.350 1
1 892 . 8 1 1 A 75 75 ARG N N 75 115.900 119.284 -3.384 1
1 893 . 8 1 1 A 76 76 SER H H 76 8.260 7.851 0.409 1
1 894 . 8 1 1 A 76 76 SER HA H 76 4.380 4.424 -0.044 1
1 897 . 8 1 1 A 76 76 SER C C 76 174.700 175.622 -0.922 1
1 898 . 8 1 1 A 76 76 SER CA C 76 60.500 60.598 -0.098 1
1 899 . 8 1 1 A 76 76 SER CB C 76 63.500 63.413 0.087 1
1 900 . 8 1 1 A 76 76 SER N N 76 111.800 115.442 -3.642 1
1 901 . 8 1 1 A 77 77 ASN H H 77 7.380 7.895 -0.515 1
1 902 . 8 1 1 A 77 77 ASN HA H 77 5.010 4.838 0.172 1
1 907 . 8 1 1 A 77 77 ASN C C 77 174.300 174.667 -0.367 1
1 908 . 8 1 1 A 77 77 ASN CA C 77 52.600 52.968 -0.368 1
1 909 . 8 1 1 A 77 77 ASN CB C 77 39.800 38.640 1.160 1
1 910 . 8 1 1 A 77 77 ASN N N 77 118.000 116.900 1.100 1
1 912 . 8 1 1 A 78 78 VAL H H 78 7.300 7.475 -0.175 1
1 913 . 8 1 1 A 78 78 VAL HA H 78 3.850 4.042 -0.192 1
1 921 . 8 1 1 A 78 78 VAL C C 78 173.200 175.249 -2.049 1
1 922 . 8 1 1 A 78 78 VAL CA C 78 63.600 62.289 1.311 1
1 923 . 8 1 1 A 78 78 VAL CB C 78 32.100 32.594 -0.494 1
1 926 . 8 1 1 A 78 78 VAL N N 78 121.200 121.015 0.185 1
1 927 . 8 1 1 A 79 79 ASP H H 79 7.660 8.280 -0.620 1
1 928 . 8 1 1 A 79 79 ASP HA H 79 4.380 4.812 -0.432 1
1 931 . 8 1 1 A 79 79 ASP C C 79 173.700 175.709 -2.009 1
1 932 . 8 1 1 A 79 79 ASP CA C 79 51.500 51.805 -0.305 1
1 933 . 8 1 1 A 79 79 ASP CB C 79 41.800 43.557 -1.757 1
1 934 . 8 1 1 A 79 79 ASP N N 79 127.000 127.129 -0.129 1
1 935 . 8 1 1 A 80 80 ALA H H 80 8.110 8.615 -0.505 1
1 936 . 8 1 1 A 80 80 ALA HA H 80 2.420 3.754 -1.334 1
1 940 . 8 1 1 A 80 80 ALA C C 80 178.700 179.746 -1.046 1
1 941 . 8 1 1 A 80 80 ALA CA C 80 55.600 55.309 0.291 1
1 942 . 8 1 1 A 80 80 ALA CB C 80 18.600 18.333 0.267 1
1 943 . 8 1 1 A 80 80 ALA N N 80 119.900 121.366 -1.466 1
1 944 . 8 1 1 A 81 81 ALA H H 81 7.760 8.114 -0.354 1
1 945 . 8 1 1 A 81 81 ALA HA H 81 4.030 3.937 0.093 1
1 949 . 8 1 1 A 81 81 ALA C C 81 180.700 179.907 0.793 1
1 950 . 8 1 1 A 81 81 ALA CA C 81 54.800 55.240 -0.440 1
1 951 . 8 1 1 A 81 81 ALA CB C 81 18.300 18.625 -0.325 1
1 952 . 8 1 1 A 81 81 ALA N N 81 118.500 120.256 -1.756 1
1 953 . 8 1 1 A 82 82 SER H H 82 8.480 8.129 0.351 1
1 954 . 8 1 1 A 82 82 SER HA H 82 4.240 4.020 0.220 1
1 957 . 8 1 1 A 82 82 SER C C 82 177.200 176.181 1.019 1
1 958 . 8 1 1 A 82 82 SER CA C 82 60.300 62.018 -1.718 1
1 959 . 8 1 1 A 82 82 SER CB C 82 62.700 62.759 -0.059 1
1 960 . 8 1 1 A 82 82 SER N N 82 115.300 113.397 1.903 1
1 961 . 8 1 1 A 83 83 ALA H H 83 8.970 8.176 0.794 1
1 962 . 8 1 1 A 83 83 ALA HA H 83 3.820 3.895 -0.075 1
1 966 . 8 1 1 A 83 83 ALA C C 83 178.600 180.107 -1.507 1
1 967 . 8 1 1 A 83 83 ALA CA C 83 55.600 55.205 0.395 1
1 968 . 8 1 1 A 83 83 ALA CB C 83 19.400 18.055 1.345 1
1 969 . 8 1 1 A 83 83 ALA N N 83 124.700 123.098 1.602 1
1 970 . 8 1 1 A 84 84 ARG H H 84 7.250 8.323 -1.073 1
1 971 . 8 1 1 A 84 84 ARG HA H 84 3.740 4.073 -0.333 1
1 978 . 8 1 1 A 84 84 ARG C C 84 176.600 179.354 -2.754 1
1 979 . 8 1 1 A 84 84 ARG CA C 84 60.100 59.890 0.210 1
1 980 . 8 1 1 A 84 84 ARG CB C 84 29.900 30.112 -0.212 1
1 983 . 8 1 1 A 84 84 ARG N N 84 116.500 117.602 -1.102 1
1 984 . 8 1 1 A 85 85 GLU H H 85 7.240 8.107 -0.867 1
1 985 . 8 1 1 A 85 85 GLU HA H 85 3.890 4.021 -0.131 1
1 990 . 8 1 1 A 85 85 GLU C C 85 179.800 179.217 0.583 1
1 991 . 8 1 1 A 85 85 GLU CA C 85 59.200 58.795 0.405 1
1 992 . 8 1 1 A 85 85 GLU CB C 85 29.300 29.378 -0.078 1
1 994 . 8 1 1 A 85 85 GLU N N 85 115.600 120.041 -4.441 1
1 995 . 8 1 1 A 86 86 LEU H H 86 8.620 8.385 0.235 1
1 996 . 8 1 1 A 86 86 LEU HA H 86 4.030 3.965 0.065 1
1 1006 . 8 1 1 A 86 86 LEU C C 86 178.600 179.053 -0.453 1
1 1007 . 8 1 1 A 86 86 LEU CA C 86 58.100 57.809 0.291 1
1 1008 . 8 1 1 A 86 86 LEU CB C 86 42.200 41.669 0.531 1
1 1012 . 8 1 1 A 86 86 LEU N N 86 120.800 120.611 0.189 1
1 1013 . 8 1 1 A 87 87 MET H H 87 7.840 8.284 -0.444 1
1 1014 . 8 1 1 A 87 87 MET HA H 87 3.680 4.093 -0.413 1
1 1022 . 8 1 1 A 87 87 MET C C 87 175.600 178.456 -2.856 1
1 1023 . 8 1 1 A 87 87 MET CA C 87 60.000 58.899 1.101 1
1 1024 . 8 1 1 A 87 87 MET CB C 87 34.300 32.228 2.072 1
1 1027 . 8 1 1 A 87 87 MET N N 87 116.700 116.570 0.130 1
1 1028 . 8 1 1 A 88 88 LEU H H 88 7.490 8.227 -0.737 1
1 1029 . 8 1 1 A 88 88 LEU HA H 88 3.890 4.080 -0.190 1
1 1039 . 8 1 1 A 88 88 LEU C C 88 179.200 178.522 0.678 1
1 1040 . 8 1 1 A 88 88 LEU CA C 88 57.000 58.365 -1.365 1
1 1041 . 8 1 1 A 88 88 LEU CB C 88 41.800 41.740 0.060 1
1 1045 . 8 1 1 A 88 88 LEU N N 88 113.400 121.907 -8.507 1
1 1046 . 8 1 1 A 89 89 ALA H H 89 7.690 7.885 -0.195 1
1 1047 . 8 1 1 A 89 89 ALA HA H 89 4.210 4.274 -0.064 1
1 1051 . 8 1 1 A 89 89 ALA C C 89 179.100 177.945 1.155 1
1 1052 . 8 1 1 A 89 89 ALA CA C 89 54.100 54.655 -0.555 1
1 1053 . 8 1 1 A 89 89 ALA CB C 89 19.200 19.118 0.082 1
1 1054 . 8 1 1 A 89 89 ALA N N 89 119.100 120.282 -1.182 1
1 1055 . 8 1 1 A 90 90 GLN H H 90 8.100 8.224 -0.124 1
1 1062 . 8 1 1 A 90 90 GLN CA C 90 53.400 53.110 0.290 1
1 1063 . 8 1 1 A 90 90 GLN CB C 90 30.900 28.740 2.160 1
1 1064 . 8 1 1 A 90 90 GLN N N 90 115.100 115.032 0.068 1
1 1066 . 8 1 1 A 91 91 PRO HA H 91 4.530 4.408 0.122 1
1 1073 . 8 1 1 A 91 91 PRO C C 91 178.300 177.288 1.012 1
1 1074 . 8 1 1 A 91 91 PRO CA C 91 64.300 64.106 0.194 1
1 1075 . 8 1 1 A 91 91 PRO CB C 91 31.800 31.921 -0.121 1
1 1078 . 8 1 1 A 92 92 SER H H 92 8.510 8.129 0.381 1
1 1079 . 8 1 1 A 92 92 SER HA H 92 4.310 4.024 0.286 1
1 1082 . 8 1 1 A 92 92 SER C C 92 174.200 176.140 -1.940 1
1 1083 . 8 1 1 A 92 92 SER CA C 92 62.000 60.188 1.812 1
1 1084 . 8 1 1 A 92 92 SER CB C 92 62.500 62.941 -0.441 1
1 1085 . 8 1 1 A 92 92 SER N N 92 115.000 112.872 2.128 1
1 1086 . 8 1 1 A 93 93 MET H H 93 8.790 7.476 1.314 1
1 1087 . 8 1 1 A 93 93 MET HA H 93 4.560 4.487 0.073 1
1 1092 . 8 1 1 A 93 93 MET C C 93 174.900 176.561 -1.661 1
1 1093 . 8 1 1 A 93 93 MET CA C 93 56.900 56.613 0.287 1
1 1094 . 8 1 1 A 93 93 MET CB C 93 35.000 33.094 1.906 1
1 1096 . 8 1 1 A 93 93 MET N N 93 118.400 117.563 0.837 1
1 1097 . 8 1 1 A 94 94 VAL H H 94 7.540 7.658 -0.118 1
1 1098 . 8 1 1 A 94 94 VAL HA H 94 4.080 3.955 0.125 1
1 1106 . 8 1 1 A 94 94 VAL C C 94 178.000 176.322 1.678 1
1 1107 . 8 1 1 A 94 94 VAL CA C 94 63.100 63.045 0.055 1
1 1108 . 8 1 1 A 94 94 VAL CB C 94 31.700 31.782 -0.082 1
1 1111 . 8 1 1 A 94 94 VAL N N 94 121.000 120.860 0.140 1
1 1112 . 8 1 1 A 95 95 LYS H H 95 9.550 8.666 0.884 1
1 1113 . 8 1 1 A 95 95 LYS HA H 95 3.940 4.239 -0.299 1
1 1116 . 8 1 1 A 95 95 LYS CA C 95 58.800 57.413 1.387 1
1 1117 . 8 1 1 A 95 95 LYS CB C 95 33.500 33.238 0.262 1
1 1121 . 8 1 1 A 95 95 LYS N N 95 131.200 125.275 5.925 1
1 1122 . 8 1 1 A 96 96 ARG H H 96 8.260 8.755 -0.495 1
1 1125 . 8 1 1 A 96 96 ARG CA C 96 52.700 52.830 -0.130 1
1 1126 . 8 1 1 A 96 96 ARG CB C 96 34.400 33.764 0.636 1
1 1127 . 8 1 1 A 96 96 ARG N N 96 117.100 121.914 -4.814 1
1 1134 . 8 1 1 A 97 97 PRO C C 97 176.600 175.187 1.413 1
1 1135 . 8 1 1 A 97 97 PRO CA C 97 62.400 62.369 0.031 1
1 1136 . 8 1 1 A 97 97 PRO CB C 97 34.700 32.877 1.823 1
1 1139 . 8 1 1 A 98 98 VAL H H 98 7.540 7.917 -0.377 1
1 1140 . 8 1 1 A 98 98 VAL HA H 98 4.460 4.653 -0.193 1
1 1148 . 8 1 1 A 98 98 VAL C C 98 173.500 173.653 -0.153 1
1 1149 . 8 1 1 A 98 98 VAL CA C 98 64.000 60.542 3.458 1
1 1150 . 8 1 1 A 98 98 VAL CB C 98 33.600 34.633 -1.033 1
1 1153 . 8 1 1 A 98 98 VAL N N 98 117.800 119.524 -1.724 1
1 1154 . 8 1 1 A 99 99 LEU H H 99 9.030 9.006 0.024 1
1 1155 . 8 1 1 A 99 99 LEU HA H 99 5.410 5.316 0.094 1
1 1165 . 8 1 1 A 99 99 LEU C C 99 173.800 174.575 -0.775 1
1 1166 . 8 1 1 A 99 99 LEU CA C 99 54.300 53.625 0.675 1
1 1167 . 8 1 1 A 99 99 LEU CB C 99 45.800 44.304 1.496 1
1 1171 . 8 1 1 A 99 99 LEU N N 99 131.400 129.828 1.572 1
1 1172 . 8 1 1 A 100 100 GLU H H 100 9.390 9.132 0.258 1
1 1173 . 8 1 1 A 100 100 GLU HA H 100 5.050 5.231 -0.181 1
1 1178 . 8 1 1 A 100 100 GLU C C 100 174.200 174.936 -0.736 1
1 1179 . 8 1 1 A 100 100 GLU CA C 100 55.300 54.859 0.441 1
1 1180 . 8 1 1 A 100 100 GLU CB C 100 35.600 32.766 2.834 1
1 1182 . 8 1 1 A 100 100 GLU N N 100 125.800 127.688 -1.888 1
1 1183 . 8 1 1 A 101 101 ARG H H 101 7.610 8.460 -0.850 1
1 1184 . 8 1 1 A 101 101 ARG C C 101 175.900 174.608 1.292 1
1 1185 . 8 1 1 A 101 101 ARG CA C 101 56.700 56.182 0.518 1
1 1186 . 8 1 1 A 101 101 ARG CB C 101 32.500 33.082 -0.582 1
1 1189 . 8 1 1 A 101 101 ARG N N 101 125.100 126.452 -1.352 1
1 1190 . 8 1 1 A 102 102 ASP H H 102 10.080 9.316 0.764 1
1 1191 . 8 1 1 A 102 102 ASP HA H 102 4.450 4.381 0.069 1
1 1194 . 8 1 1 A 102 102 ASP C C 102 175.700 176.279 -0.579 1
1 1195 . 8 1 1 A 102 102 ASP CA C 102 55.300 55.359 -0.059 1
1 1196 . 8 1 1 A 102 102 ASP CB C 102 40.500 39.488 1.012 1
1 1197 . 8 1 1 A 102 102 ASP N N 102 132.000 127.613 4.387 1
1 1198 . 8 1 1 A 103 103 GLY H H 103 8.870 7.964 0.906 1
1 1199 . 8 1 1 A 103 103 GLY HA2 H 103 4.120 3.924 0.196 1
1 1200 . 8 1 1 A 103 103 GLY HA3 H 103 3.830 3.929 -0.099 1
1 1201 . 8 1 1 A 103 103 GLY C C 103 174.000 174.195 -0.195 1
1 1202 . 8 1 1 A 103 103 GLY CA C 103 45.600 45.217 0.383 1
1 1203 . 8 1 1 A 103 103 GLY N N 103 102.900 104.698 -1.798 1
1 1204 . 8 1 1 A 104 104 LYS H H 104 8.130 7.860 0.270 1
1 1205 . 8 1 1 A 104 104 LYS HA H 104 4.650 4.288 0.362 1
1 1208 . 8 1 1 A 104 104 LYS C C 104 176.500 175.454 1.046 1
1 1209 . 8 1 1 A 104 104 LYS CA C 104 55.500 56.501 -1.001 1
1 1210 . 8 1 1 A 104 104 LYS CB C 104 32.600 32.972 -0.372 1
1 1214 . 8 1 1 A 104 104 LYS N N 104 122.400 122.759 -0.359 1
1 1215 . 8 1 1 A 105 105 LEU H H 105 8.920 8.666 0.254 1
1 1216 . 8 1 1 A 105 105 LEU HA H 105 5.420 5.058 0.362 1
1 1226 . 8 1 1 A 105 105 LEU C C 105 177.200 175.121 2.079 1
1 1227 . 8 1 1 A 105 105 LEU CA C 105 54.300 53.635 0.665 1
1 1228 . 8 1 1 A 105 105 LEU CB C 105 45.400 44.705 0.695 1
1 1232 . 8 1 1 A 105 105 LEU N N 105 129.200 128.880 0.320 1
1 1233 . 8 1 1 A 106 106 MET H H 106 8.860 8.909 -0.049 1
1 1234 . 8 1 1 A 106 106 MET HA H 106 4.580 5.015 -0.435 1
1 1239 . 8 1 1 A 106 106 MET C C 106 174.500 174.645 -0.145 1
1 1240 . 8 1 1 A 106 106 MET CA C 106 55.300 54.389 0.911 1
1 1241 . 8 1 1 A 106 106 MET CB C 106 36.500 37.182 -0.682 1
1 1243 . 8 1 1 A 106 106 MET N N 106 121.500 124.768 -3.268 1
1 1244 . 8 1 1 A 107 107 VAL H H 107 9.180 8.614 0.566 1
1 1245 . 8 1 1 A 107 107 VAL HA H 107 4.690 4.249 0.441 1
1 1253 . 8 1 1 A 107 107 VAL C C 107 176.200 176.052 0.148 1
1 1254 . 8 1 1 A 107 107 VAL CA C 107 61.400 60.977 0.423 1
1 1255 . 8 1 1 A 107 107 VAL CB C 107 33.400 32.673 0.727 1
1 1258 . 8 1 1 A 107 107 VAL N N 107 129.500 122.062 7.438 1
1 1259 . 8 1 1 A 108 108 GLY H H 108 8.730 8.419 0.311 1
1 1260 . 8 1 1 A 108 108 GLY HA2 H 108 4.430 3.822 0.608 1
1 1261 . 8 1 1 A 108 108 GLY HA3 H 108 3.850 3.833 0.017 1
1 1262 . 8 1 1 A 108 108 GLY CA C 108 43.800 44.845 -1.045 1
1 1263 . 8 1 1 A 108 108 GLY N N 108 113.600 112.985 0.615 1
1 1271 . 8 1 1 A 109 109 PHE C C 109 172.700 175.171 -2.471 1
1 1272 . 8 1 1 A 109 109 PHE CA C 109 58.900 56.459 2.441 1
1 1273 . 8 1 1 A 109 109 PHE CB C 109 42.100 43.351 -1.251 1
1 1279 . 8 1 1 A 110 110 LYS H H 110 6.510 8.531 -2.021 1
1 1282 . 8 1 1 A 110 110 LYS CA C 110 53.500 55.177 -1.677 1
1 1283 . 8 1 1 A 110 110 LYS CB C 110 34.800 31.968 2.832 1
1 1284 . 8 1 1 A 110 110 LYS N N 110 126.600 121.414 5.186 1
1 1285 . 8 1 1 A 111 111 PRO HA H 111 3.360 4.084 -0.724 1
1 1292 . 8 1 1 A 111 111 PRO C C 111 177.100 178.562 -1.462 1
1 1293 . 8 1 1 A 111 111 PRO CA C 111 66.600 65.684 0.916 1
1 1294 . 8 1 1 A 111 111 PRO CB C 111 31.700 31.728 -0.028 1
1 1297 . 8 1 1 A 112 112 ALA H H 112 8.450 8.304 0.146 1
1 1298 . 8 1 1 A 112 112 ALA HA H 112 4.140 4.083 0.057 1
1 1302 . 8 1 1 A 112 112 ALA C C 112 180.300 180.699 -0.399 1
1 1303 . 8 1 1 A 112 112 ALA CA C 112 54.900 55.390 -0.490 1
1 1304 . 8 1 1 A 112 112 ALA CB C 112 18.800 18.490 0.310 1
1 1305 . 8 1 1 A 112 112 ALA N N 112 116.200 118.617 -2.417 1
1 1306 . 8 1 1 A 113 113 GLN H H 113 6.880 7.756 -0.876 1
1 1307 . 8 1 1 A 113 113 GLN HA H 113 4.130 4.027 0.103 1
1 1314 . 8 1 1 A 113 113 GLN C C 113 178.400 178.173 0.227 1
1 1315 . 8 1 1 A 113 113 GLN CA C 113 60.100 59.045 1.055 1
1 1316 . 8 1 1 A 113 113 GLN CB C 113 29.100 28.597 0.503 1
1 1318 . 8 1 1 A 113 113 GLN N N 113 118.200 117.496 0.704 1
1 1320 . 8 1 1 A 114 114 TYR H H 114 7.600 8.223 -0.623 1
1 1321 . 8 1 1 A 114 114 TYR HA H 114 3.800 4.165 -0.365 1
1 1328 . 8 1 1 A 114 114 TYR C C 114 177.100 178.182 -1.082 1
1 1329 . 8 1 1 A 114 114 TYR CA C 114 61.700 61.456 0.244 1
1 1330 . 8 1 1 A 114 114 TYR CB C 114 33.200 38.554 -5.354 1
1 1335 . 8 1 1 A 114 114 TYR N N 114 124.900 121.053 3.847 1
1 1336 . 8 1 1 A 115 115 GLU H H 115 8.610 8.539 0.071 1
1 1337 . 8 1 1 A 115 115 GLU HA H 115 4.160 4.315 -0.155 1
1 1342 . 8 1 1 A 115 115 GLU C C 115 178.800 179.465 -0.665 1
1 1343 . 8 1 1 A 115 115 GLU CA C 115 60.100 59.713 0.387 1
1 1344 . 8 1 1 A 115 115 GLU CB C 115 30.000 30.034 -0.034 1
1 1346 . 8 1 1 A 115 115 GLU N N 115 119.300 118.639 0.661 1
1 1347 . 8 1 1 A 116 116 ALA H H 116 7.390 8.060 -0.670 1
1 1348 . 8 1 1 A 116 116 ALA HA H 116 4.210 4.189 0.021 1
1 1352 . 8 1 1 A 116 116 ALA C C 116 179.700 179.574 0.126 1
1 1353 . 8 1 1 A 116 116 ALA CA C 116 54.600 54.935 -0.335 1
1 1354 . 8 1 1 A 116 116 ALA CB C 116 18.200 18.019 0.181 1
1 1355 . 8 1 1 A 116 116 ALA N N 116 118.200 122.383 -4.183 1
1 1356 . 8 1 1 A 117 117 TYR H H 117 7.780 8.180 -0.400 1
1 1357 . 8 1 1 A 117 117 TYR HA H 117 3.890 4.160 -0.270 1
1 1364 . 8 1 1 A 117 117 TYR C C 117 177.300 177.666 -0.366 1
1 1365 . 8 1 1 A 117 117 TYR CA C 117 61.100 61.655 -0.555 1
1 1366 . 8 1 1 A 117 117 TYR CB C 117 39.200 38.489 0.711 1
1 1371 . 8 1 1 A 117 117 TYR N N 117 120.200 119.819 0.381 1
1 1372 . 8 1 1 A 118 118 PHE H H 118 7.960 8.193 -0.233 1
1 1379 . 8 1 1 A 118 118 PHE C C 118 174.900 176.511 -1.611 1
1 1380 . 8 1 1 A 118 118 PHE CA C 118 57.850 61.334 -3.484 1
1 1381 . 8 1 1 A 118 118 PHE CB C 118 39.100 39.397 -0.297 1
1 1386 . 8 1 1 A 118 118 PHE N N 118 113.100 120.668 -7.568 1
1 1387 . 8 1 1 A 119 119 LYS H H 119 7.670 7.392 0.278 1
1 1388 . 8 1 1 A 119 119 LYS HA H 119 4.210 4.234 -0.024 1
1 1397 . 8 1 1 A 119 119 LYS CA C 119 57.300 56.288 1.012 1
1 1398 . 8 1 1 A 119 119 LYS CB C 119 31.200 33.285 -2.085 1
1 1402 . 8 1 1 A 119 119 LYS N N 119 120.200 118.985 1.215 1
1 1 . 9 1 1 A 2 2 PRO HA H 2 4.500 4.676 -0.176 1
1 8 . 9 1 1 A 2 2 PRO C C 2 177.500 176.473 1.027 1
1 9 . 9 1 1 A 2 2 PRO CA C 2 63.500 62.987 0.513 1
1 10 . 9 1 1 A 2 2 PRO CB C 2 32.200 31.778 0.422 1
1 13 . 9 1 1 A 3 3 GLY H H 3 8.113 8.594 -0.481 1
1 14 . 9 1 1 A 3 3 GLY HA2 H 3 4.060 4.214 -0.154 1
1 15 . 9 1 1 A 3 3 GLY HA3 H 3 4.030 4.218 -0.188 1
1 16 . 9 1 1 A 3 3 GLY CA C 3 45.300 45.824 -0.524 1
1 17 . 9 1 1 A 3 3 GLY N N 3 110.500 109.278 1.222 1
1 18 . 9 1 1 A 4 4 SER H H 4 8.280 8.221 0.059 1
1 19 . 9 1 1 A 4 4 SER HA H 4 4.520 4.201 0.319 1
1 22 . 9 1 1 A 4 4 SER C C 4 178.100 175.636 2.464 1
1 23 . 9 1 1 A 4 4 SER CA C 4 58.600 62.495 -3.895 1
1 24 . 9 1 1 A 4 4 SER CB C 4 63.800 62.993 0.807 1
1 25 . 9 1 1 A 4 4 SER N N 4 115.900 116.327 -0.427 1
1 26 . 9 1 1 A 5 5 MET H H 5 8.680 7.779 0.901 1
1 27 . 9 1 1 A 5 5 MET HA H 5 4.700 4.526 0.174 1
1 32 . 9 1 1 A 5 5 MET C C 5 174.800 174.831 -0.031 1
1 33 . 9 1 1 A 5 5 MET CA C 5 54.900 54.629 0.271 1
1 34 . 9 1 1 A 5 5 MET CB C 5 32.500 32.275 0.225 1
1 36 . 9 1 1 A 5 5 MET N N 5 121.500 119.504 1.996 1
1 37 . 9 1 1 A 6 6 SER H H 6 8.220 8.983 -0.763 1
1 38 . 9 1 1 A 6 6 SER HA H 6 4.580 5.127 -0.547 1
1 41 . 9 1 1 A 6 6 SER C C 6 174.200 173.095 1.105 1
1 42 . 9 1 1 A 6 6 SER CA C 6 59.100 56.496 2.604 1
1 43 . 9 1 1 A 6 6 SER CB C 6 63.800 64.717 -0.917 1
1 44 . 9 1 1 A 6 6 SER N N 6 117.000 123.597 -6.597 1
1 45 . 9 1 1 A 7 7 VAL H H 7 8.750 8.965 -0.215 1
1 46 . 9 1 1 A 7 7 VAL HA H 7 4.840 4.511 0.329 1
1 54 . 9 1 1 A 7 7 VAL C C 7 175.800 174.566 1.234 1
1 55 . 9 1 1 A 7 7 VAL CA C 7 61.800 60.744 1.056 1
1 56 . 9 1 1 A 7 7 VAL CB C 7 33.800 33.290 0.510 1
1 59 . 9 1 1 A 7 7 VAL N N 7 124.100 126.948 -2.848 1
1 60 . 9 1 1 A 8 8 THR H H 8 8.880 8.110 0.770 1
1 61 . 9 1 1 A 8 8 THR HA H 8 5.360 4.933 0.427 1
1 66 . 9 1 1 A 8 8 THR C C 8 172.500 172.979 -0.479 1
1 67 . 9 1 1 A 8 8 THR CA C 8 61.700 61.611 0.089 1
1 68 . 9 1 1 A 8 8 THR CB C 8 70.600 70.250 0.350 1
1 70 . 9 1 1 A 8 8 THR N N 8 124.500 121.612 2.888 1
1 71 . 9 1 1 A 9 9 ILE H H 9 9.170 9.339 -0.169 1
1 72 . 9 1 1 A 9 9 ILE HA H 9 5.610 5.570 0.040 1
1 82 . 9 1 1 A 9 9 ILE C C 9 172.500 173.147 -0.647 1
1 83 . 9 1 1 A 9 9 ILE CA C 9 58.300 58.466 -0.166 1
1 84 . 9 1 1 A 9 9 ILE CB C 9 42.400 41.468 0.932 1
1 88 . 9 1 1 A 9 9 ILE N N 9 123.900 128.111 -4.211 1
1 89 . 9 1 1 A 10 10 TYR H H 10 9.740 9.153 0.587 1
1 90 . 9 1 1 A 10 10 TYR HA H 10 5.410 5.588 -0.178 1
1 95 . 9 1 1 A 10 10 TYR C C 10 177.500 175.784 1.716 1
1 96 . 9 1 1 A 10 10 TYR CA C 10 56.500 55.481 1.019 1
1 97 . 9 1 1 A 10 10 TYR CB C 10 40.300 41.142 -0.842 1
1 100 . 9 1 1 A 10 10 TYR N N 10 125.300 127.571 -2.271 1
1 101 . 9 1 1 A 11 11 GLY H H 11 7.880 8.123 -0.243 1
1 102 . 9 1 1 A 11 11 GLY HA2 H 11 4.700 4.421 0.279 1
1 103 . 9 1 1 A 11 11 GLY HA3 H 11 4.700 4.431 0.269 1
1 104 . 9 1 1 A 11 11 GLY C C 11 170.000 172.345 -2.345 1
1 105 . 9 1 1 A 11 11 GLY CA C 11 46.700 46.447 0.253 1
1 106 . 9 1 1 A 11 11 GLY N N 11 108.600 109.211 -0.611 1
1 107 . 9 1 1 A 12 12 ILE H H 12 6.340 8.743 -2.403 1
1 108 . 9 1 1 A 12 12 ILE HA H 12 5.330 5.066 0.264 1
1 118 . 9 1 1 A 12 12 ILE C C 12 175.100 175.552 -0.452 1
1 119 . 9 1 1 A 12 12 ILE CA C 12 59.300 58.760 0.540 1
1 120 . 9 1 1 A 12 12 ILE CB C 12 41.000 42.423 -1.423 1
1 124 . 9 1 1 A 12 12 ILE N N 12 113.300 119.406 -6.106 1
1 125 . 9 1 1 A 13 13 LYS H H 13 9.450 8.663 0.787 1
1 126 . 9 1 1 A 13 13 LYS HA H 13 4.090 4.651 -0.561 1
1 129 . 9 1 1 A 13 13 LYS C C 13 177.800 176.511 1.289 1
1 130 . 9 1 1 A 13 13 LYS CA C 13 59.200 56.216 2.984 1
1 131 . 9 1 1 A 13 13 LYS CB C 13 33.600 32.431 1.169 1
1 133 . 9 1 1 A 13 13 LYS N N 13 120.900 120.237 0.663 1
1 134 . 9 1 1 A 14 14 ASN H H 14 8.700 8.368 0.332 1
1 135 . 9 1 1 A 14 14 ASN HA H 14 4.690 4.983 -0.293 1
1 140 . 9 1 1 A 14 14 ASN C C 14 173.100 174.713 -1.613 1
1 141 . 9 1 1 A 14 14 ASN CA C 14 52.700 52.073 0.627 1
1 142 . 9 1 1 A 14 14 ASN CB C 14 36.300 39.124 -2.824 1
1 143 . 9 1 1 A 14 14 ASN N N 14 116.600 118.048 -1.448 1
1 145 . 9 1 1 A 15 15 CYS H H 15 7.440 7.577 -0.137 1
1 146 . 9 1 1 A 15 15 CYS HA H 15 4.510 4.744 -0.234 1
1 149 . 9 1 1 A 15 15 CYS CA C 15 59.100 56.734 2.366 1
1 150 . 9 1 1 A 15 15 CYS CB C 15 30.800 31.138 -0.338 1
1 151 . 9 1 1 A 15 15 CYS N N 15 124.400 116.299 8.101 1
1 152 . 9 1 1 A 16 16 ASP HA H 16 4.460 4.803 -0.343 1
1 155 . 9 1 1 A 16 16 ASP C C 16 178.000 178.012 -0.012 1
1 156 . 9 1 1 A 16 16 ASP CA C 16 57.500 54.394 3.106 1
1 157 . 9 1 1 A 16 16 ASP CB C 16 41.400 42.571 -1.171 1
1 158 . 9 1 1 A 17 17 THR H H 17 9.210 8.027 1.183 1
1 159 . 9 1 1 A 17 17 THR HA H 17 4.000 3.828 0.172 1
1 164 . 9 1 1 A 17 17 THR C C 17 176.000 176.935 -0.935 1
1 165 . 9 1 1 A 17 17 THR CA C 17 67.400 66.067 1.333 1
1 166 . 9 1 1 A 17 17 THR CB C 17 68.200 69.011 -0.811 1
1 168 . 9 1 1 A 17 17 THR N N 17 122.200 115.234 6.966 1
1 169 . 9 1 1 A 18 18 MET H H 18 8.940 8.131 0.809 1
1 170 . 9 1 1 A 18 18 MET HA H 18 3.990 4.021 -0.031 1
1 176 . 9 1 1 A 18 18 MET C C 18 178.300 178.447 -0.147 1
1 177 . 9 1 1 A 18 18 MET CA C 18 56.000 59.275 -3.275 1
1 178 . 9 1 1 A 18 18 MET CB C 18 31.400 32.840 -1.440 1
1 181 . 9 1 1 A 18 18 MET N N 18 125.300 119.256 6.044 1
1 182 . 9 1 1 A 19 19 LYS H H 19 8.080 7.922 0.158 1
1 183 . 9 1 1 A 19 19 LYS HA H 19 3.800 3.869 -0.069 1
1 186 . 9 1 1 A 19 19 LYS CA C 19 60.000 59.658 0.342 1
1 187 . 9 1 1 A 19 19 LYS CB C 19 32.500 32.446 0.054 1
1 191 . 9 1 1 A 19 19 LYS N N 19 117.900 120.771 -2.871 1
1 192 . 9 1 1 A 20 20 LYS H H 20 7.510 7.761 -0.251 1
1 193 . 9 1 1 A 20 20 LYS HA H 20 3.790 4.114 -0.324 1
1 198 . 9 1 1 A 20 20 LYS C C 20 178.500 179.074 -0.574 1
1 199 . 9 1 1 A 20 20 LYS CA C 20 59.500 59.700 -0.200 1
1 200 . 9 1 1 A 20 20 LYS CB C 20 32.800 32.465 0.335 1
1 204 . 9 1 1 A 20 20 LYS N N 20 117.500 119.008 -1.508 1
1 205 . 9 1 1 A 21 21 ALA H H 21 7.730 8.269 -0.539 1
1 206 . 9 1 1 A 21 21 ALA HA H 21 2.540 4.072 -1.532 1
1 210 . 9 1 1 A 21 21 ALA C C 21 178.700 180.048 -1.348 1
1 211 . 9 1 1 A 21 21 ALA CA C 21 54.400 55.421 -1.021 1
1 212 . 9 1 1 A 21 21 ALA CB C 21 19.000 18.291 0.709 1
1 213 . 9 1 1 A 21 21 ALA N N 21 123.600 122.291 1.309 1
1 214 . 9 1 1 A 22 22 ARG H H 22 8.110 8.393 -0.283 1
1 215 . 9 1 1 A 22 22 ARG HA H 22 3.490 3.964 -0.474 1
1 222 . 9 1 1 A 22 22 ARG C C 22 178.200 178.885 -0.685 1
1 223 . 9 1 1 A 22 22 ARG CA C 22 60.500 59.285 1.215 1
1 224 . 9 1 1 A 22 22 ARG CB C 22 30.700 29.849 0.851 1
1 227 . 9 1 1 A 22 22 ARG N N 22 116.100 117.730 -1.630 1
1 228 . 9 1 1 A 23 23 ILE H H 23 7.860 8.079 -0.219 1
1 229 . 9 1 1 A 23 23 ILE HA H 23 3.710 3.716 -0.006 1
1 239 . 9 1 1 A 23 23 ILE C C 23 177.200 178.386 -1.186 1
1 240 . 9 1 1 A 23 23 ILE CA C 23 65.000 64.932 0.068 1
1 241 . 9 1 1 A 23 23 ILE CB C 23 38.000 37.376 0.624 1
1 245 . 9 1 1 A 23 23 ILE N N 23 119.400 119.125 0.275 1
1 246 . 9 1 1 A 24 24 TRP H H 24 7.880 8.400 -0.520 1
1 247 . 9 1 1 A 24 24 TRP HA H 24 4.270 4.274 -0.004 1
1 256 . 9 1 1 A 24 24 TRP C C 24 176.100 178.145 -2.045 1
1 257 . 9 1 1 A 24 24 TRP CA C 24 63.100 60.947 2.153 1
1 258 . 9 1 1 A 24 24 TRP CB C 24 30.200 29.707 0.493 1
1 264 . 9 1 1 A 24 24 TRP N N 24 121.000 122.371 -1.371 1
1 266 . 9 1 1 A 25 25 LEU H H 25 8.690 8.451 0.239 1
1 267 . 9 1 1 A 25 25 LEU HA H 25 4.000 4.011 -0.011 1
1 277 . 9 1 1 A 25 25 LEU C C 25 178.600 179.248 -0.648 1
1 278 . 9 1 1 A 25 25 LEU CA C 25 59.700 58.038 1.662 1
1 279 . 9 1 1 A 25 25 LEU CB C 25 41.200 41.493 -0.293 1
1 283 . 9 1 1 A 25 25 LEU N N 25 121.800 120.594 1.206 1
1 284 . 9 1 1 A 26 26 GLU H H 26 8.580 8.815 -0.235 1
1 285 . 9 1 1 A 26 26 GLU HA H 26 4.200 4.043 0.157 1
1 290 . 9 1 1 A 26 26 GLU C C 26 181.200 178.489 2.711 1
1 291 . 9 1 1 A 26 26 GLU CA C 26 59.500 58.913 0.587 1
1 292 . 9 1 1 A 26 26 GLU CB C 26 28.800 28.782 0.018 1
1 294 . 9 1 1 A 26 26 GLU N N 26 120.600 117.740 2.860 1
1 295 . 9 1 1 A 27 27 ASP H H 27 9.360 7.984 1.376 1
1 296 . 9 1 1 A 27 27 ASP HA H 27 4.270 4.286 -0.016 1
1 299 . 9 1 1 A 27 27 ASP C C 27 177.400 178.405 -1.005 1
1 300 . 9 1 1 A 27 27 ASP CA C 27 56.400 57.040 -0.640 1
1 301 . 9 1 1 A 27 27 ASP CB C 27 40.000 40.899 -0.899 1
1 302 . 9 1 1 A 27 27 ASP N N 27 121.800 121.075 0.725 1
1 303 . 9 1 1 A 28 28 HIS H H 28 7.340 7.947 -0.607 1
1 304 . 9 1 1 A 28 28 HIS HA H 28 4.250 4.195 0.055 1
1 309 . 9 1 1 A 28 28 HIS C C 28 173.600 175.277 -1.677 1
1 310 . 9 1 1 A 28 28 HIS CA C 28 56.700 58.134 -1.434 1
1 311 . 9 1 1 A 28 28 HIS CB C 28 27.500 30.299 -2.799 1
1 314 . 9 1 1 A 28 28 HIS N N 28 113.400 119.322 -5.922 1
1 315 . 9 1 1 A 29 29 GLY H H 29 7.790 7.879 -0.089 1
1 316 . 9 1 1 A 29 29 GLY HA2 H 29 3.870 3.844 0.026 1
1 317 . 9 1 1 A 29 29 GLY HA3 H 29 3.870 3.863 0.007 1
1 318 . 9 1 1 A 29 29 GLY C C 29 174.200 174.284 -0.084 1
1 319 . 9 1 1 A 29 29 GLY CA C 29 46.900 45.637 1.263 1
1 320 . 9 1 1 A 29 29 GLY N N 29 109.400 107.057 2.343 1
1 321 . 9 1 1 A 30 30 ILE H H 30 8.120 8.052 0.068 1
1 322 . 9 1 1 A 30 30 ILE HA H 30 4.040 4.676 -0.636 1
1 332 . 9 1 1 A 30 30 ILE C C 30 175.500 174.256 1.244 1
1 333 . 9 1 1 A 30 30 ILE CA C 30 60.000 60.047 -0.047 1
1 334 . 9 1 1 A 30 30 ILE CB C 30 38.100 39.747 -1.647 1
1 338 . 9 1 1 A 30 30 ILE N N 30 121.800 121.357 0.443 1
1 339 . 9 1 1 A 31 31 ASP H H 31 8.430 8.840 -0.410 1
1 340 . 9 1 1 A 31 31 ASP HA H 31 4.650 5.183 -0.533 1
1 343 . 9 1 1 A 31 31 ASP C C 31 175.800 174.847 0.953 1
1 344 . 9 1 1 A 31 31 ASP CA C 31 54.600 52.371 2.229 1
1 345 . 9 1 1 A 31 31 ASP CB C 31 41.600 42.084 -0.484 1
1 346 . 9 1 1 A 31 31 ASP N N 31 128.500 126.851 1.649 1
1 347 . 9 1 1 A 32 32 TYR H H 32 7.920 9.136 -1.216 1
1 348 . 9 1 1 A 32 32 TYR HA H 32 5.500 5.208 0.292 1
1 355 . 9 1 1 A 32 32 TYR C C 32 173.800 175.580 -1.780 1
1 356 . 9 1 1 A 32 32 TYR CA C 32 56.100 56.147 -0.047 1
1 357 . 9 1 1 A 32 32 TYR CB C 32 41.700 41.600 0.100 1
1 362 . 9 1 1 A 32 32 TYR N N 32 117.500 126.121 -8.621 1
1 363 . 9 1 1 A 33 33 THR H H 33 8.900 8.836 0.064 1
1 364 . 9 1 1 A 33 33 THR HA H 33 4.470 4.625 -0.155 1
1 369 . 9 1 1 A 33 33 THR C C 33 172.900 173.791 -0.891 1
1 370 . 9 1 1 A 33 33 THR CA C 33 61.800 62.546 -0.746 1
1 371 . 9 1 1 A 33 33 THR CB C 33 70.800 69.152 1.648 1
1 373 . 9 1 1 A 33 33 THR N N 33 117.100 118.529 -1.429 1
1 374 . 9 1 1 A 34 34 PHE H H 34 9.280 9.018 0.262 1
1 375 . 9 1 1 A 34 34 PHE HA H 34 5.520 4.655 0.865 1
1 383 . 9 1 1 A 34 34 PHE CA C 34 53.900 57.969 -4.069 1
1 384 . 9 1 1 A 34 34 PHE CB C 34 39.900 39.391 0.509 1
1 390 . 9 1 1 A 34 34 PHE N N 34 128.200 128.421 -0.221 1
1 391 . 9 1 1 A 35 35 HIS H H 35 9.210 8.663 0.547 1
1 392 . 9 1 1 A 35 35 HIS HA H 35 4.240 4.862 -0.622 1
1 397 . 9 1 1 A 35 35 HIS CA C 35 54.900 53.856 1.044 1
1 398 . 9 1 1 A 35 35 HIS CB C 35 30.700 32.414 -1.714 1
1 401 . 9 1 1 A 35 35 HIS N N 35 133.900 127.953 5.947 1
1 402 . 9 1 1 A 36 36 ASP H H 36 7.930 8.386 -0.456 1
1 403 . 9 1 1 A 36 36 ASP HA H 36 4.470 4.853 -0.383 1
1 406 . 9 1 1 A 36 36 ASP C C 36 178.500 176.016 2.484 1
1 407 . 9 1 1 A 36 36 ASP CA C 36 50.900 53.466 -2.566 1
1 408 . 9 1 1 A 36 36 ASP CB C 36 42.200 42.022 0.178 1
1 409 . 9 1 1 A 36 36 ASP N N 36 127.000 125.305 1.695 1
1 410 . 9 1 1 A 37 37 TYR H H 37 9.290 9.008 0.282 1
1 417 . 9 1 1 A 37 37 TYR C C 37 178.700 178.164 0.536 1
1 418 . 9 1 1 A 37 37 TYR CA C 37 58.700 61.316 -2.616 1
1 419 . 9 1 1 A 37 37 TYR CB C 37 39.100 38.038 1.062 1
1 424 . 9 1 1 A 37 37 TYR N N 37 126.400 122.724 3.676 1
1 425 . 9 1 1 A 38 38 LYS H H 38 8.880 8.270 0.610 1
1 426 . 9 1 1 A 38 38 LYS HA H 38 4.300 3.990 0.310 1
1 429 . 9 1 1 A 38 38 LYS CA C 38 57.700 59.826 -2.126 1
1 430 . 9 1 1 A 38 38 LYS CB C 38 31.600 32.206 -0.606 1
1 434 . 9 1 1 A 38 38 LYS N N 38 115.800 121.681 -5.881 1
1 435 . 9 1 1 A 39 39 LYS H H 39 7.330 7.958 -0.628 1
1 436 . 9 1 1 A 39 39 LYS HA H 39 4.420 3.948 0.472 1
1 443 . 9 1 1 A 39 39 LYS CA C 39 57.500 59.886 -2.386 1
1 444 . 9 1 1 A 39 39 LYS CB C 39 34.600 32.344 2.256 1
1 448 . 9 1 1 A 39 39 LYS N N 39 118.800 119.092 -0.292 1
1 449 . 9 1 1 A 40 40 GLU H H 40 8.570 7.877 0.693 1
1 450 . 9 1 1 A 40 40 GLU HA H 40 4.280 4.209 0.071 1
1 455 . 9 1 1 A 40 40 GLU CA C 40 57.900 58.150 -0.250 1
1 456 . 9 1 1 A 40 40 GLU CB C 40 29.300 29.954 -0.654 1
1 458 . 9 1 1 A 40 40 GLU N N 40 117.600 116.954 0.646 1
1 459 . 9 1 1 A 41 41 GLY H H 41 7.470 7.311 0.159 1
1 460 . 9 1 1 A 41 41 GLY HA2 H 41 4.310 4.092 0.218 1
1 461 . 9 1 1 A 41 41 GLY HA3 H 41 4.170 4.102 0.068 1
1 462 . 9 1 1 A 41 41 GLY CA C 41 44.900 45.007 -0.107 1
1 463 . 9 1 1 A 41 41 GLY N N 41 106.300 103.979 2.321 1
1 464 . 9 1 1 A 42 42 LEU H H 42 8.290 8.761 -0.471 1
1 465 . 9 1 1 A 42 42 LEU HA H 42 4.950 5.044 -0.094 1
1 475 . 9 1 1 A 42 42 LEU C C 42 173.800 173.740 0.060 1
1 476 . 9 1 1 A 42 42 LEU CA C 42 54.500 54.252 0.248 1
1 477 . 9 1 1 A 42 42 LEU CB C 42 43.400 45.675 -2.275 1
1 481 . 9 1 1 A 42 42 LEU N N 42 121.000 121.075 -0.075 1
1 482 . 9 1 1 A 43 43 ASP H H 43 8.520 8.840 -0.320 1
1 483 . 9 1 1 A 43 43 ASP HA H 43 4.800 4.970 -0.170 1
1 486 . 9 1 1 A 43 43 ASP C C 43 175.400 176.714 -1.314 1
1 487 . 9 1 1 A 43 43 ASP CA C 43 51.600 52.048 -0.448 1
1 488 . 9 1 1 A 43 43 ASP CB C 43 42.200 43.812 -1.612 1
1 489 . 9 1 1 A 43 43 ASP N N 43 124.800 127.193 -2.393 1
1 490 . 9 1 1 A 44 44 ALA H H 44 8.640 8.715 -0.075 1
1 491 . 9 1 1 A 44 44 ALA HA H 44 3.780 4.008 -0.228 1
1 495 . 9 1 1 A 44 44 ALA C C 44 178.100 179.672 -1.572 1
1 496 . 9 1 1 A 44 44 ALA CA C 44 55.400 55.415 -0.015 1
1 497 . 9 1 1 A 44 44 ALA CB C 44 18.100 18.177 -0.077 1
1 498 . 9 1 1 A 44 44 ALA N N 44 122.400 125.617 -3.217 1
1 499 . 9 1 1 A 45 45 GLU H H 45 8.240 8.096 0.144 1
1 500 . 9 1 1 A 45 45 GLU HA H 45 3.920 4.013 -0.093 1
1 505 . 9 1 1 A 45 45 GLU C C 45 179.300 178.606 0.694 1
1 506 . 9 1 1 A 45 45 GLU CA C 45 59.800 59.304 0.496 1
1 507 . 9 1 1 A 45 45 GLU CB C 45 29.200 29.690 -0.490 1
1 509 . 9 1 1 A 45 45 GLU N N 45 115.600 119.582 -3.982 1
1 510 . 9 1 1 A 46 46 THR H H 46 7.910 8.073 -0.163 1
1 511 . 9 1 1 A 46 46 THR HA H 46 3.500 3.768 -0.268 1
1 516 . 9 1 1 A 46 46 THR C C 46 174.300 176.687 -2.387 1
1 517 . 9 1 1 A 46 46 THR CA C 46 66.600 65.523 1.077 1
1 518 . 9 1 1 A 46 46 THR CB C 46 67.700 68.598 -0.898 1
1 520 . 9 1 1 A 46 46 THR N N 46 117.700 114.748 2.952 1
1 521 . 9 1 1 A 47 47 LEU H H 47 7.710 8.325 -0.615 1
1 522 . 9 1 1 A 47 47 LEU HA H 47 3.510 4.050 -0.540 1
1 532 . 9 1 1 A 47 47 LEU C C 47 178.000 177.969 0.031 1
1 533 . 9 1 1 A 47 47 LEU CA C 47 57.900 58.523 -0.623 1
1 534 . 9 1 1 A 47 47 LEU CB C 47 41.500 41.394 0.106 1
1 538 . 9 1 1 A 47 47 LEU N N 47 120.400 124.112 -3.712 1
1 539 . 9 1 1 A 48 48 ASP H H 48 9.000 8.621 0.379 1
1 540 . 9 1 1 A 48 48 ASP HA H 48 4.490 4.254 0.236 1
1 543 . 9 1 1 A 48 48 ASP C C 48 179.100 178.569 0.531 1
1 544 . 9 1 1 A 48 48 ASP CA C 48 57.500 57.835 -0.335 1
1 545 . 9 1 1 A 48 48 ASP CB C 48 39.100 41.659 -2.559 1
1 546 . 9 1 1 A 48 48 ASP N N 48 116.800 118.740 -1.940 1
1 547 . 9 1 1 A 49 49 ARG H H 49 7.560 8.004 -0.444 1
1 548 . 9 1 1 A 49 49 ARG HA H 49 4.110 3.964 0.146 1
1 555 . 9 1 1 A 49 49 ARG C C 49 180.100 179.135 0.965 1
1 556 . 9 1 1 A 49 49 ARG CA C 49 60.300 59.459 0.841 1
1 557 . 9 1 1 A 49 49 ARG CB C 49 29.600 29.470 0.130 1
1 560 . 9 1 1 A 49 49 ARG N N 49 122.100 118.841 3.259 1
1 561 . 9 1 1 A 50 50 PHE H H 50 8.300 7.846 0.454 1
1 562 . 9 1 1 A 50 50 PHE HA H 50 4.550 4.323 0.227 1
1 569 . 9 1 1 A 50 50 PHE C C 50 178.400 178.197 0.203 1
1 570 . 9 1 1 A 50 50 PHE CA C 50 57.500 60.877 -3.377 1
1 571 . 9 1 1 A 50 50 PHE CB C 50 36.900 38.661 -1.761 1
1 576 . 9 1 1 A 50 50 PHE N N 50 122.100 119.596 2.504 1
1 577 . 9 1 1 A 51 51 LEU H H 51 8.460 8.469 -0.009 1
1 587 . 9 1 1 A 51 51 LEU CA C 51 55.920 57.995 -2.075 1
1 588 . 9 1 1 A 51 51 LEU CB C 51 42.400 41.680 0.720 1
1 592 . 9 1 1 A 51 51 LEU N N 51 117.000 121.391 -4.391 1
1 593 . 9 1 1 A 52 52 LYS H H 52 7.660 8.043 -0.383 1
1 594 . 9 1 1 A 52 52 LYS HA H 52 4.180 4.000 0.180 1
1 603 . 9 1 1 A 52 52 LYS C C 52 178.300 179.391 -1.091 1
1 604 . 9 1 1 A 52 52 LYS CA C 52 58.700 59.503 -0.803 1
1 605 . 9 1 1 A 52 52 LYS CB C 52 32.700 32.501 0.199 1
1 609 . 9 1 1 A 52 52 LYS N N 52 119.100 120.046 -0.946 1
1 610 . 9 1 1 A 53 53 THR H H 53 7.430 7.228 0.202 1
1 611 . 9 1 1 A 53 53 THR HA H 53 4.570 4.259 0.311 1
1 616 . 9 1 1 A 53 53 THR C C 53 173.800 174.699 -0.899 1
1 617 . 9 1 1 A 53 53 THR CA C 53 62.600 64.863 -2.263 1
1 618 . 9 1 1 A 53 53 THR CB C 53 70.800 69.757 1.043 1
1 620 . 9 1 1 A 53 53 THR N N 53 107.400 111.235 -3.835 1
1 621 . 9 1 1 A 54 54 VAL H H 54 8.500 7.967 0.533 1
1 622 . 9 1 1 A 54 54 VAL HA H 54 4.540 4.626 -0.086 1
1 630 . 9 1 1 A 54 54 VAL C C 54 179.400 173.481 5.919 1
1 631 . 9 1 1 A 54 54 VAL CA C 54 59.100 59.004 0.096 1
1 632 . 9 1 1 A 54 54 VAL CB C 54 33.500 35.450 -1.950 1
1 635 . 9 1 1 A 54 54 VAL N N 54 125.200 119.767 5.433 1
1 636 . 9 1 1 A 55 55 PRO HA H 55 4.590 4.560 0.030 1
1 643 . 9 1 1 A 55 55 PRO C C 55 179.400 177.678 1.722 1
1 644 . 9 1 1 A 55 55 PRO CA C 55 62.100 62.607 -0.507 1
1 645 . 9 1 1 A 55 55 PRO CB C 55 32.900 32.696 0.204 1
1 648 . 9 1 1 A 56 56 TRP H H 56 8.690 8.828 -0.138 1
1 649 . 9 1 1 A 56 56 TRP HA H 56 3.990 4.277 -0.287 1
1 657 . 9 1 1 A 56 56 TRP C C 56 177.500 177.870 -0.370 1
1 658 . 9 1 1 A 56 56 TRP CA C 56 61.000 60.370 0.630 1
1 659 . 9 1 1 A 56 56 TRP CB C 56 27.400 28.429 -1.029 1
1 664 . 9 1 1 A 56 56 TRP N N 56 122.500 125.068 -2.568 1
1 666 . 9 1 1 A 57 57 GLU H H 57 8.410 7.771 0.639 1
1 667 . 9 1 1 A 57 57 GLU HA H 57 3.270 3.896 -0.626 1
1 672 . 9 1 1 A 57 57 GLU C C 57 178.000 176.964 1.036 1
1 673 . 9 1 1 A 57 57 GLU CA C 57 60.200 58.375 1.825 1
1 674 . 9 1 1 A 57 57 GLU CB C 57 28.200 28.389 -0.189 1
1 676 . 9 1 1 A 57 57 GLU N N 57 120.600 118.229 2.371 1
1 677 . 9 1 1 A 58 58 GLN H H 58 7.600 7.831 -0.231 1
1 678 . 9 1 1 A 58 58 GLN HA H 58 4.170 4.544 -0.374 1
1 683 . 9 1 1 A 58 58 GLN C C 58 175.500 175.718 -0.218 1
1 684 . 9 1 1 A 58 58 GLN CA C 58 56.000 54.876 1.124 1
1 685 . 9 1 1 A 58 58 GLN CB C 58 29.600 28.979 0.621 1
1 687 . 9 1 1 A 58 58 GLN N N 58 114.700 118.267 -3.567 1
1 688 . 9 1 1 A 59 59 LEU H H 59 7.440 8.066 -0.626 1
1 689 . 9 1 1 A 59 59 LEU HA H 59 4.220 4.582 -0.362 1
1 699 . 9 1 1 A 59 59 LEU C C 59 175.100 175.721 -0.621 1
1 700 . 9 1 1 A 59 59 LEU CA C 59 55.600 54.037 1.563 1
1 701 . 9 1 1 A 59 59 LEU CB C 59 44.700 43.312 1.388 1
1 705 . 9 1 1 A 59 59 LEU N N 59 119.500 121.881 -2.381 1
1 706 . 9 1 1 A 60 60 LEU H H 60 8.120 7.582 0.538 1
1 707 . 9 1 1 A 60 60 LEU HA H 60 4.410 4.930 -0.520 1
1 717 . 9 1 1 A 60 60 LEU C C 60 176.100 175.518 0.582 1
1 718 . 9 1 1 A 60 60 LEU CA C 60 55.400 53.472 1.928 1
1 719 . 9 1 1 A 60 60 LEU CB C 60 42.900 45.295 -2.395 1
1 723 . 9 1 1 A 60 60 LEU N N 60 119.300 118.233 1.067 1
1 724 . 9 1 1 A 61 61 ASN H H 61 9.120 8.409 0.711 1
1 729 . 9 1 1 A 61 61 ASN C C 61 175.600 174.786 0.814 1
1 730 . 9 1 1 A 61 61 ASN CA C 61 51.300 53.810 -2.510 1
1 731 . 9 1 1 A 61 61 ASN CB C 61 36.800 38.921 -2.121 1
1 732 . 9 1 1 A 61 61 ASN N N 61 124.900 117.909 6.991 1
1 734 . 9 1 1 A 62 62 ARG H H 62 8.140 8.986 -0.846 1
1 735 . 9 1 1 A 62 62 ARG HA H 62 3.450 4.072 -0.622 1
1 742 . 9 1 1 A 62 62 ARG C C 62 175.200 177.384 -2.184 1
1 743 . 9 1 1 A 62 62 ARG CA C 62 57.600 56.714 0.886 1
1 744 . 9 1 1 A 62 62 ARG CB C 62 30.200 31.794 -1.594 1
1 747 . 9 1 1 A 62 62 ARG N N 62 125.500 122.020 3.480 1
1 748 . 9 1 1 A 63 63 ALA H H 63 7.610 7.572 0.038 1
1 749 . 9 1 1 A 63 63 ALA HA H 63 4.460 4.362 0.098 1
1 753 . 9 1 1 A 63 63 ALA C C 63 178.300 177.157 1.143 1
1 754 . 9 1 1 A 63 63 ALA CA C 63 51.800 51.585 0.215 1
1 755 . 9 1 1 A 63 63 ALA CB C 63 19.300 18.638 0.662 1
1 756 . 9 1 1 A 63 63 ALA N N 63 118.600 119.341 -0.741 1
1 757 . 9 1 1 A 64 64 GLY H H 64 7.150 8.419 -1.269 1
1 758 . 9 1 1 A 64 64 GLY HA2 H 64 4.410 4.103 0.307 1
1 759 . 9 1 1 A 64 64 GLY HA3 H 64 4.020 4.115 -0.095 1
1 760 . 9 1 1 A 64 64 GLY C C 64 173.500 174.877 -1.377 1
1 761 . 9 1 1 A 64 64 GLY CA C 64 45.400 44.159 1.241 1
1 762 . 9 1 1 A 64 64 GLY N N 64 105.700 107.335 -1.635 1
1 763 . 9 1 1 A 65 65 THR H H 65 8.340 8.991 -0.651 1
1 764 . 9 1 1 A 65 65 THR HA H 65 3.880 4.032 -0.152 1
1 769 . 9 1 1 A 65 65 THR C C 65 176.300 176.443 -0.143 1
1 770 . 9 1 1 A 65 65 THR CA C 65 65.500 65.373 0.127 1
1 771 . 9 1 1 A 65 65 THR CB C 65 69.000 68.311 0.689 1
1 773 . 9 1 1 A 65 65 THR N N 65 113.400 114.510 -1.110 1
1 774 . 9 1 1 A 66 66 THR H H 66 7.940 8.141 -0.201 1
1 775 . 9 1 1 A 66 66 THR HA H 66 3.820 3.933 -0.113 1
1 780 . 9 1 1 A 66 66 THR C C 66 176.100 176.234 -0.134 1
1 781 . 9 1 1 A 66 66 THR CA C 66 67.000 66.761 0.239 1
1 782 . 9 1 1 A 66 66 THR CB C 66 68.000 68.626 -0.626 1
1 784 . 9 1 1 A 66 66 THR N N 66 116.200 115.338 0.862 1
1 785 . 9 1 1 A 67 67 PHE H H 67 8.720 7.582 1.138 1
1 786 . 9 1 1 A 67 67 PHE HA H 67 4.130 4.160 -0.030 1
1 793 . 9 1 1 A 67 67 PHE C C 67 176.900 177.323 -0.423 1
1 794 . 9 1 1 A 67 67 PHE CA C 67 61.500 60.842 0.658 1
1 795 . 9 1 1 A 67 67 PHE CB C 67 39.800 39.212 0.588 1
1 800 . 9 1 1 A 67 67 PHE N N 67 122.400 121.593 0.807 1
1 801 . 9 1 1 A 68 68 ARG H H 68 7.750 8.035 -0.285 1
1 802 . 9 1 1 A 68 68 ARG HA H 68 3.790 4.362 -0.572 1
1 809 . 9 1 1 A 68 68 ARG C C 68 176.800 178.835 -2.035 1
1 810 . 9 1 1 A 68 68 ARG CA C 68 59.200 57.930 1.270 1
1 811 . 9 1 1 A 68 68 ARG CB C 68 30.200 30.193 0.007 1
1 814 . 9 1 1 A 68 68 ARG N N 68 114.400 117.706 -3.306 1
1 815 . 9 1 1 A 69 69 LYS H H 69 7.360 7.538 -0.178 1
1 816 . 9 1 1 A 69 69 LYS HA H 69 4.190 4.056 0.134 1
1 819 . 9 1 1 A 69 69 LYS C C 69 177.400 175.859 1.541 1
1 820 . 9 1 1 A 69 69 LYS CA C 69 56.700 58.345 -1.645 1
1 821 . 9 1 1 A 69 69 LYS CB C 69 33.000 32.526 0.474 1
1 825 . 9 1 1 A 69 69 LYS N N 69 115.600 119.741 -4.141 1
1 826 . 9 1 1 A 70 70 LEU H H 70 7.440 7.678 -0.238 1
1 827 . 9 1 1 A 70 70 LEU HA H 70 4.350 4.756 -0.406 1
1 830 . 9 1 1 A 70 70 LEU CA C 70 53.800 51.545 2.255 1
1 831 . 9 1 1 A 70 70 LEU CB C 70 41.000 44.070 -3.070 1
1 832 . 9 1 1 A 70 70 LEU N N 70 121.400 120.356 1.044 1
1 833 . 9 1 1 A 71 71 PRO HA H 71 4.460 4.559 -0.099 1
1 840 . 9 1 1 A 71 71 PRO C C 71 177.500 177.338 0.162 1
1 841 . 9 1 1 A 71 71 PRO CA C 71 62.800 62.295 0.505 1
1 842 . 9 1 1 A 71 71 PRO CB C 71 32.600 33.341 -0.741 1
1 845 . 9 1 1 A 72 72 GLU H H 72 9.010 8.721 0.289 1
1 846 . 9 1 1 A 72 72 GLU HA H 72 3.650 4.022 -0.372 1
1 851 . 9 1 1 A 72 72 GLU C C 72 177.600 178.499 -0.899 1
1 852 . 9 1 1 A 72 72 GLU CA C 72 60.500 59.282 1.218 1
1 853 . 9 1 1 A 72 72 GLU CB C 72 29.900 28.972 0.928 1
1 855 . 9 1 1 A 72 72 GLU N N 72 124.100 121.962 2.138 1
1 856 . 9 1 1 A 73 73 ASP H H 73 8.860 8.083 0.777 1
1 857 . 9 1 1 A 73 73 ASP HA H 73 4.290 4.403 -0.113 1
1 860 . 9 1 1 A 73 73 ASP C C 73 177.600 178.810 -1.210 1
1 861 . 9 1 1 A 73 73 ASP CA C 73 56.700 57.216 -0.516 1
1 862 . 9 1 1 A 73 73 ASP CB C 73 39.300 40.924 -1.624 1
1 863 . 9 1 1 A 73 73 ASP N N 73 116.200 120.389 -4.189 1
1 864 . 9 1 1 A 74 74 VAL H H 74 7.120 8.181 -1.061 1
1 865 . 9 1 1 A 74 74 VAL HA H 74 3.740 3.428 0.312 1
1 873 . 9 1 1 A 74 74 VAL C C 74 178.200 177.589 0.611 1
1 874 . 9 1 1 A 74 74 VAL CA C 74 65.000 66.969 -1.969 1
1 875 . 9 1 1 A 74 74 VAL CB C 74 32.100 31.512 0.588 1
1 878 . 9 1 1 A 74 74 VAL N N 74 120.400 120.230 0.170 1
1 879 . 9 1 1 A 75 75 ARG H H 75 7.700 8.219 -0.519 1
1 880 . 9 1 1 A 75 75 ARG HA H 75 3.790 3.980 -0.190 1
1 887 . 9 1 1 A 75 75 ARG C C 75 178.500 177.964 0.536 1
1 888 . 9 1 1 A 75 75 ARG CA C 75 59.600 59.319 0.281 1
1 889 . 9 1 1 A 75 75 ARG CB C 75 31.100 29.689 1.411 1
1 892 . 9 1 1 A 75 75 ARG N N 75 115.900 119.011 -3.111 1
1 893 . 9 1 1 A 76 76 SER H H 76 8.260 7.719 0.541 1
1 894 . 9 1 1 A 76 76 SER HA H 76 4.380 4.259 0.121 1
1 897 . 9 1 1 A 76 76 SER C C 76 174.700 175.536 -0.836 1
1 898 . 9 1 1 A 76 76 SER CA C 76 60.500 60.656 -0.156 1
1 899 . 9 1 1 A 76 76 SER CB C 76 63.500 63.023 0.477 1
1 900 . 9 1 1 A 76 76 SER N N 76 111.800 115.425 -3.625 1
1 901 . 9 1 1 A 77 77 ASN H H 77 7.380 8.123 -0.743 1
1 902 . 9 1 1 A 77 77 ASN HA H 77 5.010 4.795 0.215 1
1 907 . 9 1 1 A 77 77 ASN C C 77 174.300 175.198 -0.898 1
1 908 . 9 1 1 A 77 77 ASN CA C 77 52.600 53.272 -0.672 1
1 909 . 9 1 1 A 77 77 ASN CB C 77 39.800 38.861 0.939 1
1 910 . 9 1 1 A 77 77 ASN N N 77 118.000 117.520 0.480 1
1 912 . 9 1 1 A 78 78 VAL H H 78 7.300 7.436 -0.136 1
1 913 . 9 1 1 A 78 78 VAL HA H 78 3.850 3.864 -0.014 1
1 921 . 9 1 1 A 78 78 VAL C C 78 173.200 175.236 -2.036 1
1 922 . 9 1 1 A 78 78 VAL CA C 78 63.600 62.401 1.199 1
1 923 . 9 1 1 A 78 78 VAL CB C 78 32.100 32.438 -0.338 1
1 926 . 9 1 1 A 78 78 VAL N N 78 121.200 120.995 0.205 1
1 927 . 9 1 1 A 79 79 ASP H H 79 7.660 8.349 -0.689 1
1 928 . 9 1 1 A 79 79 ASP HA H 79 4.380 4.928 -0.548 1
1 931 . 9 1 1 A 79 79 ASP C C 79 173.700 175.701 -2.001 1
1 932 . 9 1 1 A 79 79 ASP CA C 79 51.500 51.743 -0.243 1
1 933 . 9 1 1 A 79 79 ASP CB C 79 41.800 43.602 -1.802 1
1 934 . 9 1 1 A 79 79 ASP N N 79 127.000 126.730 0.270 1
1 935 . 9 1 1 A 80 80 ALA H H 80 8.110 8.668 -0.558 1
1 936 . 9 1 1 A 80 80 ALA HA H 80 2.420 3.730 -1.310 1
1 940 . 9 1 1 A 80 80 ALA C C 80 178.700 179.847 -1.147 1
1 941 . 9 1 1 A 80 80 ALA CA C 80 55.600 55.381 0.219 1
1 942 . 9 1 1 A 80 80 ALA CB C 80 18.600 18.508 0.092 1
1 943 . 9 1 1 A 80 80 ALA N N 80 119.900 121.906 -2.006 1
1 944 . 9 1 1 A 81 81 ALA H H 81 7.760 8.136 -0.376 1
1 945 . 9 1 1 A 81 81 ALA HA H 81 4.030 3.911 0.119 1
1 949 . 9 1 1 A 81 81 ALA C C 81 180.700 179.671 1.029 1
1 950 . 9 1 1 A 81 81 ALA CA C 81 54.800 55.233 -0.433 1
1 951 . 9 1 1 A 81 81 ALA CB C 81 18.300 18.669 -0.369 1
1 952 . 9 1 1 A 81 81 ALA N N 81 118.500 120.291 -1.791 1
1 953 . 9 1 1 A 82 82 SER H H 82 8.480 8.023 0.457 1
1 954 . 9 1 1 A 82 82 SER HA H 82 4.240 3.963 0.277 1
1 957 . 9 1 1 A 82 82 SER C C 82 177.200 176.838 0.362 1
1 958 . 9 1 1 A 82 82 SER CA C 82 60.300 61.331 -1.031 1
1 959 . 9 1 1 A 82 82 SER CB C 82 62.700 62.745 -0.045 1
1 960 . 9 1 1 A 82 82 SER N N 82 115.300 112.503 2.797 1
1 961 . 9 1 1 A 83 83 ALA H H 83 8.970 8.162 0.808 1
1 962 . 9 1 1 A 83 83 ALA HA H 83 3.820 3.810 0.010 1
1 966 . 9 1 1 A 83 83 ALA C C 83 178.600 180.052 -1.452 1
1 967 . 9 1 1 A 83 83 ALA CA C 83 55.600 55.127 0.473 1
1 968 . 9 1 1 A 83 83 ALA CB C 83 19.400 17.715 1.685 1
1 969 . 9 1 1 A 83 83 ALA N N 83 124.700 122.173 2.527 1
1 970 . 9 1 1 A 84 84 ARG H H 84 7.250 8.167 -0.917 1
1 971 . 9 1 1 A 84 84 ARG HA H 84 3.740 4.104 -0.364 1
1 978 . 9 1 1 A 84 84 ARG C C 84 176.600 178.943 -2.343 1
1 979 . 9 1 1 A 84 84 ARG CA C 84 60.100 59.607 0.493 1
1 980 . 9 1 1 A 84 84 ARG CB C 84 29.900 29.832 0.068 1
1 983 . 9 1 1 A 84 84 ARG N N 84 116.500 117.336 -0.836 1
1 984 . 9 1 1 A 85 85 GLU H H 85 7.240 7.975 -0.735 1
1 985 . 9 1 1 A 85 85 GLU HA H 85 3.890 4.043 -0.153 1
1 990 . 9 1 1 A 85 85 GLU C C 85 179.800 179.734 0.066 1
1 991 . 9 1 1 A 85 85 GLU CA C 85 59.200 58.755 0.445 1
1 992 . 9 1 1 A 85 85 GLU CB C 85 29.300 29.832 -0.532 1
1 994 . 9 1 1 A 85 85 GLU N N 85 115.600 120.195 -4.595 1
1 995 . 9 1 1 A 86 86 LEU H H 86 8.620 8.560 0.060 1
1 996 . 9 1 1 A 86 86 LEU HA H 86 4.030 4.058 -0.028 1
1 1006 . 9 1 1 A 86 86 LEU C C 86 178.600 178.990 -0.390 1
1 1007 . 9 1 1 A 86 86 LEU CA C 86 58.100 57.707 0.393 1
1 1008 . 9 1 1 A 86 86 LEU CB C 86 42.200 41.515 0.685 1
1 1012 . 9 1 1 A 86 86 LEU N N 86 120.800 120.316 0.484 1
1 1013 . 9 1 1 A 87 87 MET H H 87 7.840 8.045 -0.205 1
1 1014 . 9 1 1 A 87 87 MET HA H 87 3.680 4.156 -0.476 1
1 1022 . 9 1 1 A 87 87 MET C C 87 175.600 178.429 -2.829 1
1 1023 . 9 1 1 A 87 87 MET CA C 87 60.000 58.788 1.212 1
1 1024 . 9 1 1 A 87 87 MET CB C 87 34.300 31.870 2.430 1
1 1027 . 9 1 1 A 87 87 MET N N 87 116.700 115.837 0.863 1
1 1028 . 9 1 1 A 88 88 LEU H H 88 7.490 8.180 -0.690 1
1 1029 . 9 1 1 A 88 88 LEU HA H 88 3.890 4.027 -0.137 1
1 1039 . 9 1 1 A 88 88 LEU C C 88 179.200 178.188 1.012 1
1 1040 . 9 1 1 A 88 88 LEU CA C 88 57.000 58.071 -1.071 1
1 1041 . 9 1 1 A 88 88 LEU CB C 88 41.800 41.958 -0.158 1
1 1045 . 9 1 1 A 88 88 LEU N N 88 113.400 121.659 -8.259 1
1 1046 . 9 1 1 A 89 89 ALA H H 89 7.690 7.913 -0.223 1
1 1047 . 9 1 1 A 89 89 ALA HA H 89 4.210 4.126 0.084 1
1 1051 . 9 1 1 A 89 89 ALA C C 89 179.100 177.716 1.384 1
1 1052 . 9 1 1 A 89 89 ALA CA C 89 54.100 54.002 0.098 1
1 1053 . 9 1 1 A 89 89 ALA CB C 89 19.200 18.472 0.728 1
1 1054 . 9 1 1 A 89 89 ALA N N 89 119.100 120.011 -0.911 1
1 1055 . 9 1 1 A 90 90 GLN H H 90 8.100 7.694 0.406 1
1 1062 . 9 1 1 A 90 90 GLN CA C 90 53.400 53.499 -0.099 1
1 1063 . 9 1 1 A 90 90 GLN CB C 90 30.900 29.374 1.526 1
1 1064 . 9 1 1 A 90 90 GLN N N 90 115.100 116.494 -1.394 1
1 1066 . 9 1 1 A 91 91 PRO HA H 91 4.530 4.543 -0.013 1
1 1073 . 9 1 1 A 91 91 PRO C C 91 178.300 177.274 1.026 1
1 1074 . 9 1 1 A 91 91 PRO CA C 91 64.300 64.017 0.283 1
1 1075 . 9 1 1 A 91 91 PRO CB C 91 31.800 31.645 0.155 1
1 1078 . 9 1 1 A 92 92 SER H H 92 8.510 8.234 0.276 1
1 1079 . 9 1 1 A 92 92 SER HA H 92 4.310 4.251 0.059 1
1 1082 . 9 1 1 A 92 92 SER C C 92 174.200 176.300 -2.100 1
1 1083 . 9 1 1 A 92 92 SER CA C 92 62.000 61.046 0.954 1
1 1084 . 9 1 1 A 92 92 SER CB C 92 62.500 62.557 -0.057 1
1 1085 . 9 1 1 A 92 92 SER N N 92 115.000 114.083 0.917 1
1 1086 . 9 1 1 A 93 93 MET H H 93 8.790 7.540 1.250 1
1 1087 . 9 1 1 A 93 93 MET HA H 93 4.560 4.524 0.036 1
1 1092 . 9 1 1 A 93 93 MET C C 93 174.900 176.577 -1.677 1
1 1093 . 9 1 1 A 93 93 MET CA C 93 56.900 56.559 0.341 1
1 1094 . 9 1 1 A 93 93 MET CB C 93 35.000 33.145 1.855 1
1 1096 . 9 1 1 A 93 93 MET N N 93 118.400 118.058 0.342 1
1 1097 . 9 1 1 A 94 94 VAL H H 94 7.540 7.478 0.062 1
1 1098 . 9 1 1 A 94 94 VAL HA H 94 4.080 4.116 -0.036 1
1 1106 . 9 1 1 A 94 94 VAL C C 94 178.000 176.430 1.570 1
1 1107 . 9 1 1 A 94 94 VAL CA C 94 63.100 62.984 0.116 1
1 1108 . 9 1 1 A 94 94 VAL CB C 94 31.700 31.706 -0.006 1
1 1111 . 9 1 1 A 94 94 VAL N N 94 121.000 121.441 -0.441 1
1 1112 . 9 1 1 A 95 95 LYS H H 95 9.550 8.570 0.980 1
1 1113 . 9 1 1 A 95 95 LYS HA H 95 3.940 4.259 -0.319 1
1 1116 . 9 1 1 A 95 95 LYS CA C 95 58.800 56.897 1.903 1
1 1117 . 9 1 1 A 95 95 LYS CB C 95 33.500 33.346 0.154 1
1 1121 . 9 1 1 A 95 95 LYS N N 95 131.200 126.318 4.882 1
1 1122 . 9 1 1 A 96 96 ARG H H 96 8.260 8.796 -0.536 1
1 1125 . 9 1 1 A 96 96 ARG CA C 96 52.700 54.684 -1.984 1
1 1126 . 9 1 1 A 96 96 ARG CB C 96 34.400 32.445 1.955 1
1 1127 . 9 1 1 A 96 96 ARG N N 96 117.100 120.765 -3.665 1
1 1134 . 9 1 1 A 97 97 PRO C C 97 176.600 175.532 1.068 1
1 1135 . 9 1 1 A 97 97 PRO CA C 97 62.400 62.583 -0.183 1
1 1136 . 9 1 1 A 97 97 PRO CB C 97 34.700 32.233 2.467 1
1 1139 . 9 1 1 A 98 98 VAL H H 98 7.540 8.338 -0.798 1
1 1140 . 9 1 1 A 98 98 VAL HA H 98 4.460 4.503 -0.043 1
1 1148 . 9 1 1 A 98 98 VAL C C 98 173.500 174.955 -1.455 1
1 1149 . 9 1 1 A 98 98 VAL CA C 98 64.000 61.404 2.596 1
1 1150 . 9 1 1 A 98 98 VAL CB C 98 33.600 33.161 0.439 1
1 1153 . 9 1 1 A 98 98 VAL N N 98 117.800 122.286 -4.486 1
1 1154 . 9 1 1 A 99 99 LEU H H 99 9.030 9.398 -0.368 1
1 1155 . 9 1 1 A 99 99 LEU HA H 99 5.410 5.302 0.108 1
1 1165 . 9 1 1 A 99 99 LEU C C 99 173.800 175.090 -1.290 1
1 1166 . 9 1 1 A 99 99 LEU CA C 99 54.300 52.925 1.375 1
1 1167 . 9 1 1 A 99 99 LEU CB C 99 45.800 43.702 2.098 1
1 1171 . 9 1 1 A 99 99 LEU N N 99 131.400 126.967 4.433 1
1 1172 . 9 1 1 A 100 100 GLU H H 100 9.390 9.226 0.164 1
1 1173 . 9 1 1 A 100 100 GLU HA H 100 5.050 5.252 -0.202 1
1 1178 . 9 1 1 A 100 100 GLU C C 100 174.200 174.947 -0.747 1
1 1179 . 9 1 1 A 100 100 GLU CA C 100 55.300 54.771 0.529 1
1 1180 . 9 1 1 A 100 100 GLU CB C 100 35.600 32.787 2.813 1
1 1182 . 9 1 1 A 100 100 GLU N N 100 125.800 126.276 -0.476 1
1 1183 . 9 1 1 A 101 101 ARG H H 101 7.610 8.984 -1.374 1
1 1184 . 9 1 1 A 101 101 ARG C C 101 175.900 175.196 0.704 1
1 1185 . 9 1 1 A 101 101 ARG CA C 101 56.700 55.661 1.039 1
1 1186 . 9 1 1 A 101 101 ARG CB C 101 32.500 32.691 -0.191 1
1 1189 . 9 1 1 A 101 101 ARG N N 101 125.100 127.197 -2.097 1
1 1190 . 9 1 1 A 102 102 ASP H H 102 10.080 9.410 0.670 1
1 1191 . 9 1 1 A 102 102 ASP HA H 102 4.450 4.288 0.162 1
1 1194 . 9 1 1 A 102 102 ASP C C 102 175.700 175.129 0.571 1
1 1195 . 9 1 1 A 102 102 ASP CA C 102 55.300 55.071 0.229 1
1 1196 . 9 1 1 A 102 102 ASP CB C 102 40.500 39.788 0.712 1
1 1197 . 9 1 1 A 102 102 ASP N N 102 132.000 127.164 4.836 1
1 1198 . 9 1 1 A 103 103 GLY H H 103 8.870 8.333 0.537 1
1 1199 . 9 1 1 A 103 103 GLY HA2 H 103 4.120 3.985 0.135 1
1 1200 . 9 1 1 A 103 103 GLY HA3 H 103 3.830 3.991 -0.161 1
1 1201 . 9 1 1 A 103 103 GLY C C 103 174.000 174.473 -0.473 1
1 1202 . 9 1 1 A 103 103 GLY CA C 103 45.600 45.117 0.483 1
1 1203 . 9 1 1 A 103 103 GLY N N 103 102.900 104.560 -1.660 1
1 1204 . 9 1 1 A 104 104 LYS H H 104 8.130 7.589 0.541 1
1 1205 . 9 1 1 A 104 104 LYS HA H 104 4.650 4.352 0.298 1
1 1208 . 9 1 1 A 104 104 LYS C C 104 176.500 175.643 0.857 1
1 1209 . 9 1 1 A 104 104 LYS CA C 104 55.500 56.978 -1.478 1
1 1210 . 9 1 1 A 104 104 LYS CB C 104 32.600 33.419 -0.819 1
1 1214 . 9 1 1 A 104 104 LYS N N 104 122.400 121.187 1.213 1
1 1215 . 9 1 1 A 105 105 LEU H H 105 8.920 8.897 0.023 1
1 1216 . 9 1 1 A 105 105 LEU HA H 105 5.420 5.415 0.005 1
1 1226 . 9 1 1 A 105 105 LEU C C 105 177.200 175.151 2.049 1
1 1227 . 9 1 1 A 105 105 LEU CA C 105 54.300 53.798 0.502 1
1 1228 . 9 1 1 A 105 105 LEU CB C 105 45.400 44.355 1.045 1
1 1232 . 9 1 1 A 105 105 LEU N N 105 129.200 127.695 1.505 1
1 1233 . 9 1 1 A 106 106 MET H H 106 8.860 9.211 -0.351 1
1 1234 . 9 1 1 A 106 106 MET HA H 106 4.580 5.060 -0.480 1
1 1239 . 9 1 1 A 106 106 MET C C 106 174.500 174.222 0.278 1
1 1240 . 9 1 1 A 106 106 MET CA C 106 55.300 54.336 0.964 1
1 1241 . 9 1 1 A 106 106 MET CB C 106 36.500 37.293 -0.793 1
1 1243 . 9 1 1 A 106 106 MET N N 106 121.500 124.719 -3.219 1
1 1244 . 9 1 1 A 107 107 VAL H H 107 9.180 8.538 0.642 1
1 1245 . 9 1 1 A 107 107 VAL HA H 107 4.690 4.473 0.217 1
1 1253 . 9 1 1 A 107 107 VAL C C 107 176.200 175.793 0.407 1
1 1254 . 9 1 1 A 107 107 VAL CA C 107 61.400 60.422 0.978 1
1 1255 . 9 1 1 A 107 107 VAL CB C 107 33.400 34.185 -0.785 1
1 1258 . 9 1 1 A 107 107 VAL N N 107 129.500 121.395 8.105 1
1 1259 . 9 1 1 A 108 108 GLY H H 108 8.730 8.429 0.301 1
1 1260 . 9 1 1 A 108 108 GLY HA2 H 108 4.430 3.765 0.665 1
1 1261 . 9 1 1 A 108 108 GLY HA3 H 108 3.850 3.811 0.039 1
1 1262 . 9 1 1 A 108 108 GLY CA C 108 43.800 44.253 -0.453 1
1 1263 . 9 1 1 A 108 108 GLY N N 108 113.600 112.253 1.347 1
1 1271 . 9 1 1 A 109 109 PHE C C 109 172.700 175.189 -2.489 1
1 1272 . 9 1 1 A 109 109 PHE CA C 109 58.900 56.468 2.432 1
1 1273 . 9 1 1 A 109 109 PHE CB C 109 42.100 43.310 -1.210 1
1 1279 . 9 1 1 A 110 110 LYS H H 110 6.510 8.565 -2.055 1
1 1282 . 9 1 1 A 110 110 LYS CA C 110 53.500 55.190 -1.690 1
1 1283 . 9 1 1 A 110 110 LYS CB C 110 34.800 31.976 2.824 1
1 1284 . 9 1 1 A 110 110 LYS N N 110 126.600 121.553 5.047 1
1 1285 . 9 1 1 A 111 111 PRO HA H 111 3.360 4.195 -0.835 1
1 1292 . 9 1 1 A 111 111 PRO C C 111 177.100 178.671 -1.571 1
1 1293 . 9 1 1 A 111 111 PRO CA C 111 66.600 65.760 0.840 1
1 1294 . 9 1 1 A 111 111 PRO CB C 111 31.700 31.798 -0.098 1
1 1297 . 9 1 1 A 112 112 ALA H H 112 8.450 8.308 0.142 1
1 1298 . 9 1 1 A 112 112 ALA HA H 112 4.140 4.124 0.016 1
1 1302 . 9 1 1 A 112 112 ALA C C 112 180.300 180.618 -0.318 1
1 1303 . 9 1 1 A 112 112 ALA CA C 112 54.900 55.373 -0.473 1
1 1304 . 9 1 1 A 112 112 ALA CB C 112 18.800 18.498 0.302 1
1 1305 . 9 1 1 A 112 112 ALA N N 112 116.200 118.680 -2.480 1
1 1306 . 9 1 1 A 113 113 GLN H H 113 6.880 7.805 -0.925 1
1 1307 . 9 1 1 A 113 113 GLN HA H 113 4.130 4.055 0.075 1
1 1314 . 9 1 1 A 113 113 GLN C C 113 178.400 178.176 0.224 1
1 1315 . 9 1 1 A 113 113 GLN CA C 113 60.100 59.120 0.980 1
1 1316 . 9 1 1 A 113 113 GLN CB C 113 29.100 28.739 0.361 1
1 1318 . 9 1 1 A 113 113 GLN N N 113 118.200 117.615 0.585 1
1 1320 . 9 1 1 A 114 114 TYR H H 114 7.600 8.173 -0.573 1
1 1321 . 9 1 1 A 114 114 TYR HA H 114 3.800 4.159 -0.359 1
1 1328 . 9 1 1 A 114 114 TYR C C 114 177.100 177.877 -0.777 1
1 1329 . 9 1 1 A 114 114 TYR CA C 114 61.700 61.069 0.631 1
1 1330 . 9 1 1 A 114 114 TYR CB C 114 33.200 38.241 -5.041 1
1 1335 . 9 1 1 A 114 114 TYR N N 114 124.900 121.198 3.702 1
1 1336 . 9 1 1 A 115 115 GLU H H 115 8.610 8.454 0.156 1
1 1337 . 9 1 1 A 115 115 GLU HA H 115 4.160 4.274 -0.114 1
1 1342 . 9 1 1 A 115 115 GLU C C 115 178.800 178.671 0.129 1
1 1343 . 9 1 1 A 115 115 GLU CA C 115 60.100 59.810 0.290 1
1 1344 . 9 1 1 A 115 115 GLU CB C 115 30.000 29.977 0.023 1
1 1346 . 9 1 1 A 115 115 GLU N N 115 119.300 118.863 0.437 1
1 1347 . 9 1 1 A 116 116 ALA H H 116 7.390 8.032 -0.642 1
1 1348 . 9 1 1 A 116 116 ALA HA H 116 4.210 4.181 0.029 1
1 1352 . 9 1 1 A 116 116 ALA C C 116 179.700 179.486 0.214 1
1 1353 . 9 1 1 A 116 116 ALA CA C 116 54.600 55.082 -0.482 1
1 1354 . 9 1 1 A 116 116 ALA CB C 116 18.200 18.601 -0.401 1
1 1355 . 9 1 1 A 116 116 ALA N N 116 118.200 122.547 -4.347 1
1 1356 . 9 1 1 A 117 117 TYR H H 117 7.780 8.469 -0.689 1
1 1357 . 9 1 1 A 117 117 TYR HA H 117 3.890 4.040 -0.150 1
1 1364 . 9 1 1 A 117 117 TYR C C 117 177.300 177.266 0.034 1
1 1365 . 9 1 1 A 117 117 TYR CA C 117 61.100 61.313 -0.213 1
1 1366 . 9 1 1 A 117 117 TYR CB C 117 39.200 38.338 0.862 1
1 1371 . 9 1 1 A 117 117 TYR N N 117 120.200 118.350 1.850 1
1 1372 . 9 1 1 A 118 118 PHE H H 118 7.960 7.956 0.004 1
1 1379 . 9 1 1 A 118 118 PHE C C 118 174.900 175.277 -0.377 1
1 1380 . 9 1 1 A 118 118 PHE CA C 118 57.850 57.218 0.632 1
1 1381 . 9 1 1 A 118 118 PHE CB C 118 39.100 38.406 0.694 1
1 1386 . 9 1 1 A 118 118 PHE N N 118 113.100 114.610 -1.510 1
1 1387 . 9 1 1 A 119 119 LYS H H 119 7.670 7.493 0.177 1
1 1388 . 9 1 1 A 119 119 LYS HA H 119 4.210 4.617 -0.407 1
1 1397 . 9 1 1 A 119 119 LYS CA C 119 57.300 55.438 1.862 1
1 1398 . 9 1 1 A 119 119 LYS CB C 119 31.200 33.983 -2.783 1
1 1402 . 9 1 1 A 119 119 LYS N N 119 120.200 121.971 -1.771 1
1 1 . 10 1 1 A 2 2 PRO HA H 2 4.500 4.205 0.295 1
1 8 . 10 1 1 A 2 2 PRO C C 2 177.500 177.345 0.155 1
1 9 . 10 1 1 A 2 2 PRO CA C 2 63.500 63.475 0.025 1
1 10 . 10 1 1 A 2 2 PRO CB C 2 32.200 31.793 0.407 1
1 13 . 10 1 1 A 3 3 GLY H H 3 8.113 8.861 -0.748 1
1 14 . 10 1 1 A 3 3 GLY HA2 H 3 4.060 3.956 0.104 1
1 15 . 10 1 1 A 3 3 GLY HA3 H 3 4.030 3.957 0.073 1
1 16 . 10 1 1 A 3 3 GLY CA C 3 45.300 46.714 -1.414 1
1 17 . 10 1 1 A 3 3 GLY N N 3 110.500 112.639 -2.139 1
1 18 . 10 1 1 A 4 4 SER H H 4 8.280 8.077 0.203 1
1 19 . 10 1 1 A 4 4 SER HA H 4 4.520 4.177 0.343 1
1 22 . 10 1 1 A 4 4 SER C C 4 178.100 174.026 4.074 1
1 23 . 10 1 1 A 4 4 SER CA C 4 58.600 61.452 -2.852 1
1 24 . 10 1 1 A 4 4 SER CB C 4 63.800 63.427 0.373 1
1 25 . 10 1 1 A 4 4 SER N N 4 115.900 115.297 0.603 1
1 26 . 10 1 1 A 5 5 MET H H 5 8.680 7.951 0.729 1
1 27 . 10 1 1 A 5 5 MET HA H 5 4.700 5.072 -0.372 1
1 32 . 10 1 1 A 5 5 MET C C 5 174.800 174.535 0.265 1
1 33 . 10 1 1 A 5 5 MET CA C 5 54.900 53.082 1.818 1
1 34 . 10 1 1 A 5 5 MET CB C 5 32.500 35.584 -3.084 1
1 36 . 10 1 1 A 5 5 MET N N 5 121.500 116.782 4.718 1
1 37 . 10 1 1 A 6 6 SER H H 6 8.220 8.859 -0.639 1
1 38 . 10 1 1 A 6 6 SER HA H 6 4.580 5.191 -0.611 1
1 41 . 10 1 1 A 6 6 SER C C 6 174.200 172.677 1.523 1
1 42 . 10 1 1 A 6 6 SER CA C 6 59.100 56.448 2.652 1
1 43 . 10 1 1 A 6 6 SER CB C 6 63.800 66.083 -2.283 1
1 44 . 10 1 1 A 6 6 SER N N 6 117.000 113.571 3.429 1
1 45 . 10 1 1 A 7 7 VAL H H 7 8.750 8.486 0.264 1
1 46 . 10 1 1 A 7 7 VAL HA H 7 4.840 4.374 0.466 1
1 54 . 10 1 1 A 7 7 VAL C C 7 175.800 174.969 0.831 1
1 55 . 10 1 1 A 7 7 VAL CA C 7 61.800 61.332 0.468 1
1 56 . 10 1 1 A 7 7 VAL CB C 7 33.800 32.037 1.763 1
1 59 . 10 1 1 A 7 7 VAL N N 7 124.100 122.702 1.398 1
1 60 . 10 1 1 A 8 8 THR H H 8 8.880 8.621 0.259 1
1 61 . 10 1 1 A 8 8 THR HA H 8 5.360 4.800 0.560 1
1 66 . 10 1 1 A 8 8 THR C C 8 172.500 172.779 -0.279 1
1 67 . 10 1 1 A 8 8 THR CA C 8 61.700 61.968 -0.268 1
1 68 . 10 1 1 A 8 8 THR CB C 8 70.600 69.902 0.698 1
1 70 . 10 1 1 A 8 8 THR N N 8 124.500 121.547 2.953 1
1 71 . 10 1 1 A 9 9 ILE H H 9 9.170 9.279 -0.109 1
1 72 . 10 1 1 A 9 9 ILE HA H 9 5.610 5.557 0.053 1
1 82 . 10 1 1 A 9 9 ILE C C 9 172.500 173.436 -0.936 1
1 83 . 10 1 1 A 9 9 ILE CA C 9 58.300 58.557 -0.257 1
1 84 . 10 1 1 A 9 9 ILE CB C 9 42.400 41.528 0.872 1
1 88 . 10 1 1 A 9 9 ILE N N 9 123.900 128.303 -4.403 1
1 89 . 10 1 1 A 10 10 TYR H H 10 9.740 9.504 0.236 1
1 90 . 10 1 1 A 10 10 TYR HA H 10 5.410 5.594 -0.184 1
1 95 . 10 1 1 A 10 10 TYR C C 10 177.500 175.828 1.672 1
1 96 . 10 1 1 A 10 10 TYR CA C 10 56.500 55.614 0.886 1
1 97 . 10 1 1 A 10 10 TYR CB C 10 40.300 41.180 -0.880 1
1 100 . 10 1 1 A 10 10 TYR N N 10 125.300 127.884 -2.584 1
1 101 . 10 1 1 A 11 11 GLY H H 11 7.880 8.164 -0.284 1
1 102 . 10 1 1 A 11 11 GLY HA2 H 11 4.700 4.409 0.291 1
1 103 . 10 1 1 A 11 11 GLY HA3 H 11 4.700 4.456 0.244 1
1 104 . 10 1 1 A 11 11 GLY C C 11 170.000 172.306 -2.306 1
1 105 . 10 1 1 A 11 11 GLY CA C 11 46.700 46.360 0.340 1
1 106 . 10 1 1 A 11 11 GLY N N 11 108.600 108.704 -0.104 1
1 107 . 10 1 1 A 12 12 ILE H H 12 6.340 8.824 -2.484 1
1 108 . 10 1 1 A 12 12 ILE HA H 12 5.330 4.969 0.361 1
1 118 . 10 1 1 A 12 12 ILE C C 12 175.100 176.647 -1.547 1
1 119 . 10 1 1 A 12 12 ILE CA C 12 59.300 58.904 0.396 1
1 120 . 10 1 1 A 12 12 ILE CB C 12 41.000 42.028 -1.028 1
1 124 . 10 1 1 A 12 12 ILE N N 12 113.300 118.480 -5.180 1
1 125 . 10 1 1 A 13 13 LYS H H 13 9.450 8.766 0.684 1
1 126 . 10 1 1 A 13 13 LYS HA H 13 4.090 4.194 -0.104 1
1 129 . 10 1 1 A 13 13 LYS C C 13 177.800 176.905 0.895 1
1 130 . 10 1 1 A 13 13 LYS CA C 13 59.200 59.111 0.089 1
1 131 . 10 1 1 A 13 13 LYS CB C 13 33.600 32.880 0.720 1
1 133 . 10 1 1 A 13 13 LYS N N 13 120.900 122.483 -1.583 1
1 134 . 10 1 1 A 14 14 ASN H H 14 8.700 7.896 0.804 1
1 135 . 10 1 1 A 14 14 ASN HA H 14 4.690 4.912 -0.222 1
1 140 . 10 1 1 A 14 14 ASN C C 14 173.100 174.561 -1.461 1
1 141 . 10 1 1 A 14 14 ASN CA C 14 52.700 52.827 -0.127 1
1 142 . 10 1 1 A 14 14 ASN CB C 14 36.300 36.590 -0.290 1
1 143 . 10 1 1 A 14 14 ASN N N 14 116.600 115.773 0.827 1
1 145 . 10 1 1 A 15 15 CYS H H 15 7.440 8.185 -0.745 1
1 146 . 10 1 1 A 15 15 CYS HA H 15 4.510 4.960 -0.450 1
1 149 . 10 1 1 A 15 15 CYS CA C 15 59.100 58.058 1.042 1
1 150 . 10 1 1 A 15 15 CYS CB C 15 30.800 31.144 -0.344 1
1 151 . 10 1 1 A 15 15 CYS N N 15 124.400 122.527 1.873 1
1 152 . 10 1 1 A 16 16 ASP HA H 16 4.460 4.589 -0.129 1
1 155 . 10 1 1 A 16 16 ASP C C 16 178.000 178.077 -0.077 1
1 156 . 10 1 1 A 16 16 ASP CA C 16 57.500 54.676 2.824 1
1 157 . 10 1 1 A 16 16 ASP CB C 16 41.400 41.930 -0.530 1
1 158 . 10 1 1 A 17 17 THR H H 17 9.210 7.939 1.271 1
1 159 . 10 1 1 A 17 17 THR HA H 17 4.000 3.825 0.175 1
1 164 . 10 1 1 A 17 17 THR C C 17 176.000 176.772 -0.772 1
1 165 . 10 1 1 A 17 17 THR CA C 17 67.400 67.437 -0.037 1
1 166 . 10 1 1 A 17 17 THR CB C 17 68.200 68.060 0.140 1
1 168 . 10 1 1 A 17 17 THR N N 17 122.200 116.409 5.791 1
1 169 . 10 1 1 A 18 18 MET H H 18 8.940 8.233 0.707 1
1 170 . 10 1 1 A 18 18 MET HA H 18 3.990 3.956 0.034 1
1 176 . 10 1 1 A 18 18 MET C C 18 178.300 178.527 -0.227 1
1 177 . 10 1 1 A 18 18 MET CA C 18 56.000 59.256 -3.256 1
1 178 . 10 1 1 A 18 18 MET CB C 18 31.400 32.841 -1.441 1
1 181 . 10 1 1 A 18 18 MET N N 18 125.300 118.110 7.190 1
1 182 . 10 1 1 A 19 19 LYS H H 19 8.080 7.874 0.206 1
1 183 . 10 1 1 A 19 19 LYS HA H 19 3.800 3.862 -0.062 1
1 186 . 10 1 1 A 19 19 LYS CA C 19 60.000 59.611 0.389 1
1 187 . 10 1 1 A 19 19 LYS CB C 19 32.500 32.588 -0.088 1
1 191 . 10 1 1 A 19 19 LYS N N 19 117.900 120.792 -2.892 1
1 192 . 10 1 1 A 20 20 LYS H H 20 7.510 7.569 -0.059 1
1 193 . 10 1 1 A 20 20 LYS HA H 20 3.790 4.094 -0.304 1
1 198 . 10 1 1 A 20 20 LYS C C 20 178.500 179.108 -0.608 1
1 199 . 10 1 1 A 20 20 LYS CA C 20 59.500 59.651 -0.151 1
1 200 . 10 1 1 A 20 20 LYS CB C 20 32.800 32.342 0.458 1
1 204 . 10 1 1 A 20 20 LYS N N 20 117.500 119.031 -1.531 1
1 205 . 10 1 1 A 21 21 ALA H H 21 7.730 8.337 -0.607 1
1 206 . 10 1 1 A 21 21 ALA HA H 21 2.540 4.052 -1.512 1
1 210 . 10 1 1 A 21 21 ALA C C 21 178.700 179.803 -1.103 1
1 211 . 10 1 1 A 21 21 ALA CA C 21 54.400 55.154 -0.754 1
1 212 . 10 1 1 A 21 21 ALA CB C 21 19.000 18.526 0.474 1
1 213 . 10 1 1 A 21 21 ALA N N 21 123.600 122.066 1.534 1
1 214 . 10 1 1 A 22 22 ARG H H 22 8.110 8.312 -0.202 1
1 215 . 10 1 1 A 22 22 ARG HA H 22 3.490 3.999 -0.509 1
1 222 . 10 1 1 A 22 22 ARG C C 22 178.200 178.501 -0.301 1
1 223 . 10 1 1 A 22 22 ARG CA C 22 60.500 59.396 1.104 1
1 224 . 10 1 1 A 22 22 ARG CB C 22 30.700 29.928 0.772 1
1 227 . 10 1 1 A 22 22 ARG N N 22 116.100 118.332 -2.232 1
1 228 . 10 1 1 A 23 23 ILE H H 23 7.860 8.122 -0.262 1
1 229 . 10 1 1 A 23 23 ILE HA H 23 3.710 3.760 -0.050 1
1 239 . 10 1 1 A 23 23 ILE C C 23 177.200 178.654 -1.454 1
1 240 . 10 1 1 A 23 23 ILE CA C 23 65.000 65.038 -0.038 1
1 241 . 10 1 1 A 23 23 ILE CB C 23 38.000 37.638 0.362 1
1 245 . 10 1 1 A 23 23 ILE N N 23 119.400 119.294 0.106 1
1 246 . 10 1 1 A 24 24 TRP H H 24 7.880 8.108 -0.228 1
1 247 . 10 1 1 A 24 24 TRP HA H 24 4.270 4.378 -0.108 1
1 256 . 10 1 1 A 24 24 TRP C C 24 176.100 178.294 -2.194 1
1 257 . 10 1 1 A 24 24 TRP CA C 24 63.100 61.174 1.926 1
1 258 . 10 1 1 A 24 24 TRP CB C 24 30.200 30.028 0.172 1
1 264 . 10 1 1 A 24 24 TRP N N 24 121.000 122.282 -1.282 1
1 266 . 10 1 1 A 25 25 LEU H H 25 8.690 8.810 -0.120 1
1 267 . 10 1 1 A 25 25 LEU HA H 25 4.000 4.064 -0.064 1
1 277 . 10 1 1 A 25 25 LEU C C 25 178.600 179.436 -0.836 1
1 278 . 10 1 1 A 25 25 LEU CA C 25 59.700 57.993 1.707 1
1 279 . 10 1 1 A 25 25 LEU CB C 25 41.200 41.311 -0.111 1
1 283 . 10 1 1 A 25 25 LEU N N 25 121.800 119.644 2.156 1
1 284 . 10 1 1 A 26 26 GLU H H 26 8.580 8.558 0.022 1
1 285 . 10 1 1 A 26 26 GLU HA H 26 4.200 4.021 0.179 1
1 290 . 10 1 1 A 26 26 GLU C C 26 181.200 178.981 2.219 1
1 291 . 10 1 1 A 26 26 GLU CA C 26 59.500 59.780 -0.280 1
1 292 . 10 1 1 A 26 26 GLU CB C 26 28.800 29.374 -0.574 1
1 294 . 10 1 1 A 26 26 GLU N N 26 120.600 118.938 1.662 1
1 295 . 10 1 1 A 27 27 ASP H H 27 9.360 8.327 1.033 1
1 296 . 10 1 1 A 27 27 ASP HA H 27 4.270 4.268 0.002 1
1 299 . 10 1 1 A 27 27 ASP C C 27 177.400 178.602 -1.202 1
1 300 . 10 1 1 A 27 27 ASP CA C 27 56.400 57.090 -0.690 1
1 301 . 10 1 1 A 27 27 ASP CB C 27 40.000 41.689 -1.689 1
1 302 . 10 1 1 A 27 27 ASP N N 27 121.800 120.374 1.426 1
1 303 . 10 1 1 A 28 28 HIS H H 28 7.340 8.012 -0.672 1
1 304 . 10 1 1 A 28 28 HIS HA H 28 4.250 4.335 -0.085 1
1 309 . 10 1 1 A 28 28 HIS C C 28 173.600 175.356 -1.756 1
1 310 . 10 1 1 A 28 28 HIS CA C 28 56.700 58.171 -1.471 1
1 311 . 10 1 1 A 28 28 HIS CB C 28 27.500 30.437 -2.937 1
1 314 . 10 1 1 A 28 28 HIS N N 28 113.400 119.040 -5.640 1
1 315 . 10 1 1 A 29 29 GLY H H 29 7.790 8.321 -0.531 1
1 316 . 10 1 1 A 29 29 GLY HA2 H 29 3.870 3.845 0.025 1
1 317 . 10 1 1 A 29 29 GLY HA3 H 29 3.870 3.866 0.004 1
1 318 . 10 1 1 A 29 29 GLY C C 29 174.200 174.160 0.040 1
1 319 . 10 1 1 A 29 29 GLY CA C 29 46.900 45.599 1.301 1
1 320 . 10 1 1 A 29 29 GLY N N 29 109.400 107.005 2.395 1
1 321 . 10 1 1 A 30 30 ILE H H 30 8.120 7.909 0.211 1
1 322 . 10 1 1 A 30 30 ILE HA H 30 4.040 4.649 -0.609 1
1 332 . 10 1 1 A 30 30 ILE C C 30 175.500 174.306 1.194 1
1 333 . 10 1 1 A 30 30 ILE CA C 30 60.000 59.955 0.045 1
1 334 . 10 1 1 A 30 30 ILE CB C 30 38.100 39.919 -1.819 1
1 338 . 10 1 1 A 30 30 ILE N N 30 121.800 121.673 0.127 1
1 339 . 10 1 1 A 31 31 ASP H H 31 8.430 8.855 -0.425 1
1 340 . 10 1 1 A 31 31 ASP HA H 31 4.650 5.341 -0.691 1
1 343 . 10 1 1 A 31 31 ASP C C 31 175.800 174.784 1.016 1
1 344 . 10 1 1 A 31 31 ASP CA C 31 54.600 52.618 1.982 1
1 345 . 10 1 1 A 31 31 ASP CB C 31 41.600 43.960 -2.360 1
1 346 . 10 1 1 A 31 31 ASP N N 31 128.500 126.286 2.214 1
1 347 . 10 1 1 A 32 32 TYR H H 32 7.920 9.356 -1.436 1
1 348 . 10 1 1 A 32 32 TYR HA H 32 5.500 5.269 0.231 1
1 355 . 10 1 1 A 32 32 TYR C C 32 173.800 175.678 -1.878 1
1 356 . 10 1 1 A 32 32 TYR CA C 32 56.100 56.318 -0.218 1
1 357 . 10 1 1 A 32 32 TYR CB C 32 41.700 41.472 0.228 1
1 362 . 10 1 1 A 32 32 TYR N N 32 117.500 126.190 -8.690 1
1 363 . 10 1 1 A 33 33 THR H H 33 8.900 8.759 0.141 1
1 364 . 10 1 1 A 33 33 THR HA H 33 4.470 4.561 -0.091 1
1 369 . 10 1 1 A 33 33 THR C C 33 172.900 173.787 -0.887 1
1 370 . 10 1 1 A 33 33 THR CA C 33 61.800 62.485 -0.685 1
1 371 . 10 1 1 A 33 33 THR CB C 33 70.800 69.107 1.693 1
1 373 . 10 1 1 A 33 33 THR N N 33 117.100 118.472 -1.372 1
1 374 . 10 1 1 A 34 34 PHE H H 34 9.280 9.024 0.256 1
1 375 . 10 1 1 A 34 34 PHE HA H 34 5.520 4.644 0.876 1
1 383 . 10 1 1 A 34 34 PHE CA C 34 53.900 57.844 -3.944 1
1 384 . 10 1 1 A 34 34 PHE CB C 34 39.900 39.405 0.495 1
1 390 . 10 1 1 A 34 34 PHE N N 34 128.200 128.286 -0.086 1
1 391 . 10 1 1 A 35 35 HIS H H 35 9.210 8.599 0.611 1
1 392 . 10 1 1 A 35 35 HIS HA H 35 4.240 4.719 -0.479 1
1 397 . 10 1 1 A 35 35 HIS CA C 35 54.900 53.885 1.015 1
1 398 . 10 1 1 A 35 35 HIS CB C 35 30.700 31.634 -0.934 1
1 401 . 10 1 1 A 35 35 HIS N N 35 133.900 127.955 5.945 1
1 402 . 10 1 1 A 36 36 ASP H H 36 7.930 7.981 -0.051 1
1 403 . 10 1 1 A 36 36 ASP HA H 36 4.470 4.698 -0.228 1
1 406 . 10 1 1 A 36 36 ASP C C 36 178.500 176.890 1.610 1
1 407 . 10 1 1 A 36 36 ASP CA C 36 50.900 53.760 -2.860 1
1 408 . 10 1 1 A 36 36 ASP CB C 36 42.200 42.392 -0.192 1
1 409 . 10 1 1 A 36 36 ASP N N 36 127.000 128.189 -1.189 1
1 410 . 10 1 1 A 37 37 TYR H H 37 9.290 8.790 0.500 1
1 417 . 10 1 1 A 37 37 TYR C C 37 178.700 178.320 0.380 1
1 418 . 10 1 1 A 37 37 TYR CA C 37 58.700 60.832 -2.132 1
1 419 . 10 1 1 A 37 37 TYR CB C 37 39.100 38.094 1.006 1
1 424 . 10 1 1 A 37 37 TYR N N 37 126.400 124.754 1.646 1
1 425 . 10 1 1 A 38 38 LYS H H 38 8.880 8.133 0.747 1
1 426 . 10 1 1 A 38 38 LYS HA H 38 4.300 3.995 0.305 1
1 429 . 10 1 1 A 38 38 LYS CA C 38 57.700 59.692 -1.992 1
1 430 . 10 1 1 A 38 38 LYS CB C 38 31.600 32.092 -0.492 1
1 434 . 10 1 1 A 38 38 LYS N N 38 115.800 122.072 -6.272 1
1 435 . 10 1 1 A 39 39 LYS H H 39 7.330 7.521 -0.191 1
1 436 . 10 1 1 A 39 39 LYS HA H 39 4.420 3.901 0.519 1
1 443 . 10 1 1 A 39 39 LYS CA C 39 57.500 60.119 -2.619 1
1 444 . 10 1 1 A 39 39 LYS CB C 39 34.600 32.215 2.385 1
1 448 . 10 1 1 A 39 39 LYS N N 39 118.800 117.889 0.911 1
1 449 . 10 1 1 A 40 40 GLU H H 40 8.570 7.649 0.921 1
1 450 . 10 1 1 A 40 40 GLU HA H 40 4.280 4.198 0.082 1
1 455 . 10 1 1 A 40 40 GLU CA C 40 57.900 56.520 1.380 1
1 456 . 10 1 1 A 40 40 GLU CB C 40 29.300 29.916 -0.616 1
1 458 . 10 1 1 A 40 40 GLU N N 40 117.600 116.051 1.549 1
1 459 . 10 1 1 A 41 41 GLY H H 41 7.470 7.827 -0.357 1
1 460 . 10 1 1 A 41 41 GLY HA2 H 41 4.310 4.021 0.289 1
1 461 . 10 1 1 A 41 41 GLY HA3 H 41 4.170 4.035 0.135 1
1 462 . 10 1 1 A 41 41 GLY CA C 41 44.900 45.929 -1.029 1
1 463 . 10 1 1 A 41 41 GLY N N 41 106.300 108.365 -2.065 1
1 464 . 10 1 1 A 42 42 LEU H H 42 8.290 8.098 0.192 1
1 465 . 10 1 1 A 42 42 LEU HA H 42 4.950 4.472 0.478 1
1 475 . 10 1 1 A 42 42 LEU C C 42 173.800 175.317 -1.517 1
1 476 . 10 1 1 A 42 42 LEU CA C 42 54.500 55.588 -1.088 1
1 477 . 10 1 1 A 42 42 LEU CB C 42 43.400 42.738 0.662 1
1 481 . 10 1 1 A 42 42 LEU N N 42 121.000 124.533 -3.533 1
1 482 . 10 1 1 A 43 43 ASP H H 43 8.520 8.163 0.357 1
1 483 . 10 1 1 A 43 43 ASP HA H 43 4.800 5.056 -0.256 1
1 486 . 10 1 1 A 43 43 ASP C C 43 175.400 176.564 -1.164 1
1 487 . 10 1 1 A 43 43 ASP CA C 43 51.600 51.739 -0.139 1
1 488 . 10 1 1 A 43 43 ASP CB C 43 42.200 43.452 -1.252 1
1 489 . 10 1 1 A 43 43 ASP N N 43 124.800 125.499 -0.699 1
1 490 . 10 1 1 A 44 44 ALA H H 44 8.640 8.782 -0.142 1
1 491 . 10 1 1 A 44 44 ALA HA H 44 3.780 4.018 -0.238 1
1 495 . 10 1 1 A 44 44 ALA C C 44 178.100 179.681 -1.581 1
1 496 . 10 1 1 A 44 44 ALA CA C 44 55.400 55.693 -0.293 1
1 497 . 10 1 1 A 44 44 ALA CB C 44 18.100 18.135 -0.035 1
1 498 . 10 1 1 A 44 44 ALA N N 44 122.400 122.105 0.295 1
1 499 . 10 1 1 A 45 45 GLU H H 45 8.240 8.262 -0.022 1
1 500 . 10 1 1 A 45 45 GLU HA H 45 3.920 4.013 -0.093 1
1 505 . 10 1 1 A 45 45 GLU C C 45 179.300 179.082 0.218 1
1 506 . 10 1 1 A 45 45 GLU CA C 45 59.800 59.876 -0.076 1
1 507 . 10 1 1 A 45 45 GLU CB C 45 29.200 29.279 -0.079 1
1 509 . 10 1 1 A 45 45 GLU N N 45 115.600 118.309 -2.709 1
1 510 . 10 1 1 A 46 46 THR H H 46 7.910 7.722 0.188 1
1 511 . 10 1 1 A 46 46 THR HA H 46 3.500 3.848 -0.348 1
1 516 . 10 1 1 A 46 46 THR C C 46 174.300 176.178 -1.878 1
1 517 . 10 1 1 A 46 46 THR CA C 46 66.600 67.374 -0.774 1
1 518 . 10 1 1 A 46 46 THR CB C 46 67.700 68.683 -0.983 1
1 520 . 10 1 1 A 46 46 THR N N 46 117.700 116.577 1.123 1
1 521 . 10 1 1 A 47 47 LEU H H 47 7.710 8.216 -0.506 1
1 522 . 10 1 1 A 47 47 LEU HA H 47 3.510 4.024 -0.514 1
1 532 . 10 1 1 A 47 47 LEU C C 47 178.000 178.203 -0.203 1
1 533 . 10 1 1 A 47 47 LEU CA C 47 57.900 58.376 -0.476 1
1 534 . 10 1 1 A 47 47 LEU CB C 47 41.500 41.313 0.187 1
1 538 . 10 1 1 A 47 47 LEU N N 47 120.400 121.094 -0.694 1
1 539 . 10 1 1 A 48 48 ASP H H 48 9.000 8.606 0.394 1
1 540 . 10 1 1 A 48 48 ASP HA H 48 4.490 4.233 0.257 1
1 543 . 10 1 1 A 48 48 ASP C C 48 179.100 178.570 0.530 1
1 544 . 10 1 1 A 48 48 ASP CA C 48 57.500 57.902 -0.402 1
1 545 . 10 1 1 A 48 48 ASP CB C 48 39.100 41.974 -2.874 1
1 546 . 10 1 1 A 48 48 ASP N N 48 116.800 118.516 -1.716 1
1 547 . 10 1 1 A 49 49 ARG H H 49 7.560 8.011 -0.451 1
1 548 . 10 1 1 A 49 49 ARG HA H 49 4.110 3.957 0.153 1
1 555 . 10 1 1 A 49 49 ARG C C 49 180.100 178.987 1.113 1
1 556 . 10 1 1 A 49 49 ARG CA C 49 60.300 59.439 0.861 1
1 557 . 10 1 1 A 49 49 ARG CB C 49 29.600 29.613 -0.013 1
1 560 . 10 1 1 A 49 49 ARG N N 49 122.100 118.822 3.278 1
1 561 . 10 1 1 A 50 50 PHE H H 50 8.300 7.856 0.444 1
1 562 . 10 1 1 A 50 50 PHE HA H 50 4.550 4.524 0.026 1
1 569 . 10 1 1 A 50 50 PHE C C 50 178.400 178.274 0.126 1
1 570 . 10 1 1 A 50 50 PHE CA C 50 57.500 60.796 -3.296 1
1 571 . 10 1 1 A 50 50 PHE CB C 50 36.900 38.483 -1.583 1
1 576 . 10 1 1 A 50 50 PHE N N 50 122.100 119.448 2.652 1
1 577 . 10 1 1 A 51 51 LEU H H 51 8.460 8.377 0.083 1
1 587 . 10 1 1 A 51 51 LEU CA C 51 55.920 57.962 -2.042 1
1 588 . 10 1 1 A 51 51 LEU CB C 51 42.400 41.480 0.920 1
1 592 . 10 1 1 A 51 51 LEU N N 51 117.000 121.284 -4.284 1
1 593 . 10 1 1 A 52 52 LYS H H 52 7.660 7.990 -0.330 1
1 594 . 10 1 1 A 52 52 LYS HA H 52 4.180 3.998 0.182 1
1 603 . 10 1 1 A 52 52 LYS C C 52 178.300 179.354 -1.054 1
1 604 . 10 1 1 A 52 52 LYS CA C 52 58.700 59.373 -0.673 1
1 605 . 10 1 1 A 52 52 LYS CB C 52 32.700 32.277 0.423 1
1 609 . 10 1 1 A 52 52 LYS N N 52 119.100 119.386 -0.286 1
1 610 . 10 1 1 A 53 53 THR H H 53 7.430 7.501 -0.071 1
1 611 . 10 1 1 A 53 53 THR HA H 53 4.570 4.243 0.327 1
1 616 . 10 1 1 A 53 53 THR C C 53 173.800 174.614 -0.814 1
1 617 . 10 1 1 A 53 53 THR CA C 53 62.600 63.960 -1.360 1
1 618 . 10 1 1 A 53 53 THR CB C 53 70.800 69.145 1.655 1
1 620 . 10 1 1 A 53 53 THR N N 53 107.400 111.050 -3.650 1
1 621 . 10 1 1 A 54 54 VAL H H 54 8.500 8.088 0.412 1
1 622 . 10 1 1 A 54 54 VAL HA H 54 4.540 4.580 -0.040 1
1 630 . 10 1 1 A 54 54 VAL C C 54 179.400 173.483 5.917 1
1 631 . 10 1 1 A 54 54 VAL CA C 54 59.100 58.901 0.199 1
1 632 . 10 1 1 A 54 54 VAL CB C 54 33.500 35.215 -1.715 1
1 635 . 10 1 1 A 54 54 VAL N N 54 125.200 121.479 3.721 1
1 636 . 10 1 1 A 55 55 PRO HA H 55 4.590 4.624 -0.034 1
1 643 . 10 1 1 A 55 55 PRO C C 55 179.400 177.630 1.770 1
1 644 . 10 1 1 A 55 55 PRO CA C 55 62.100 62.766 -0.666 1
1 645 . 10 1 1 A 55 55 PRO CB C 55 32.900 32.179 0.721 1
1 648 . 10 1 1 A 56 56 TRP H H 56 8.690 8.753 -0.063 1
1 649 . 10 1 1 A 56 56 TRP HA H 56 3.990 4.329 -0.339 1
1 657 . 10 1 1 A 56 56 TRP C C 56 177.500 177.911 -0.411 1
1 658 . 10 1 1 A 56 56 TRP CA C 56 61.000 60.135 0.865 1
1 659 . 10 1 1 A 56 56 TRP CB C 56 27.400 28.747 -1.347 1
1 664 . 10 1 1 A 56 56 TRP N N 56 122.500 125.520 -3.020 1
1 666 . 10 1 1 A 57 57 GLU H H 57 8.410 8.018 0.392 1
1 667 . 10 1 1 A 57 57 GLU HA H 57 3.270 3.512 -0.242 1
1 672 . 10 1 1 A 57 57 GLU C C 57 178.000 176.937 1.063 1
1 673 . 10 1 1 A 57 57 GLU CA C 57 60.200 58.222 1.978 1
1 674 . 10 1 1 A 57 57 GLU CB C 57 28.200 28.528 -0.328 1
1 676 . 10 1 1 A 57 57 GLU N N 57 120.600 118.843 1.757 1
1 677 . 10 1 1 A 58 58 GLN H H 58 7.600 7.628 -0.028 1
1 678 . 10 1 1 A 58 58 GLN HA H 58 4.170 4.574 -0.404 1
1 683 . 10 1 1 A 58 58 GLN C C 58 175.500 176.242 -0.742 1
1 684 . 10 1 1 A 58 58 GLN CA C 58 56.000 54.640 1.360 1
1 685 . 10 1 1 A 58 58 GLN CB C 58 29.600 28.943 0.657 1
1 687 . 10 1 1 A 58 58 GLN N N 58 114.700 118.160 -3.460 1
1 688 . 10 1 1 A 59 59 LEU H H 59 7.440 7.811 -0.371 1
1 689 . 10 1 1 A 59 59 LEU HA H 59 4.220 4.540 -0.320 1
1 699 . 10 1 1 A 59 59 LEU C C 59 175.100 176.117 -1.017 1
1 700 . 10 1 1 A 59 59 LEU CA C 59 55.600 55.027 0.573 1
1 701 . 10 1 1 A 59 59 LEU CB C 59 44.700 44.308 0.392 1
1 705 . 10 1 1 A 59 59 LEU N N 59 119.500 120.690 -1.190 1
1 706 . 10 1 1 A 60 60 LEU H H 60 8.120 7.489 0.631 1
1 707 . 10 1 1 A 60 60 LEU HA H 60 4.410 5.014 -0.604 1
1 717 . 10 1 1 A 60 60 LEU C C 60 176.100 175.953 0.147 1
1 718 . 10 1 1 A 60 60 LEU CA C 60 55.400 52.847 2.553 1
1 719 . 10 1 1 A 60 60 LEU CB C 60 42.900 45.652 -2.752 1
1 723 . 10 1 1 A 60 60 LEU N N 60 119.300 115.952 3.348 1
1 724 . 10 1 1 A 61 61 ASN H H 61 9.120 8.244 0.876 1
1 729 . 10 1 1 A 61 61 ASN C C 61 175.600 174.838 0.762 1
1 730 . 10 1 1 A 61 61 ASN CA C 61 51.300 53.816 -2.516 1
1 731 . 10 1 1 A 61 61 ASN CB C 61 36.800 38.924 -2.124 1
1 732 . 10 1 1 A 61 61 ASN N N 61 124.900 117.377 7.523 1
1 734 . 10 1 1 A 62 62 ARG H H 62 8.140 8.884 -0.744 1
1 735 . 10 1 1 A 62 62 ARG HA H 62 3.450 4.061 -0.611 1
1 742 . 10 1 1 A 62 62 ARG C C 62 175.200 177.049 -1.849 1
1 743 . 10 1 1 A 62 62 ARG CA C 62 57.600 56.336 1.264 1
1 744 . 10 1 1 A 62 62 ARG CB C 62 30.200 31.412 -1.212 1
1 747 . 10 1 1 A 62 62 ARG N N 62 125.500 120.924 4.576 1
1 748 . 10 1 1 A 63 63 ALA H H 63 7.610 7.353 0.257 1
1 749 . 10 1 1 A 63 63 ALA HA H 63 4.460 4.287 0.173 1
1 753 . 10 1 1 A 63 63 ALA C C 63 178.300 177.924 0.376 1
1 754 . 10 1 1 A 63 63 ALA CA C 63 51.800 52.094 -0.294 1
1 755 . 10 1 1 A 63 63 ALA CB C 63 19.300 20.088 -0.788 1
1 756 . 10 1 1 A 63 63 ALA N N 63 118.600 119.758 -1.158 1
1 757 . 10 1 1 A 64 64 GLY H H 64 7.150 8.118 -0.968 1
1 758 . 10 1 1 A 64 64 GLY HA2 H 64 4.410 4.000 0.410 1
1 759 . 10 1 1 A 64 64 GLY HA3 H 64 4.020 4.013 0.007 1
1 760 . 10 1 1 A 64 64 GLY C C 64 173.500 175.648 -2.148 1
1 761 . 10 1 1 A 64 64 GLY CA C 64 45.400 45.668 -0.268 1
1 762 . 10 1 1 A 64 64 GLY N N 64 105.700 105.918 -0.218 1
1 763 . 10 1 1 A 65 65 THR H H 65 8.340 8.672 -0.332 1
1 764 . 10 1 1 A 65 65 THR HA H 65 3.880 4.075 -0.195 1
1 769 . 10 1 1 A 65 65 THR C C 65 176.300 176.269 0.031 1
1 770 . 10 1 1 A 65 65 THR CA C 65 65.500 65.364 0.136 1
1 771 . 10 1 1 A 65 65 THR CB C 65 69.000 69.034 -0.034 1
1 773 . 10 1 1 A 65 65 THR N N 65 113.400 116.363 -2.963 1
1 774 . 10 1 1 A 66 66 THR H H 66 7.940 8.033 -0.093 1
1 775 . 10 1 1 A 66 66 THR HA H 66 3.820 3.887 -0.067 1
1 780 . 10 1 1 A 66 66 THR C C 66 176.100 176.723 -0.623 1
1 781 . 10 1 1 A 66 66 THR CA C 66 67.000 66.710 0.290 1
1 782 . 10 1 1 A 66 66 THR CB C 66 68.000 69.029 -1.029 1
1 784 . 10 1 1 A 66 66 THR N N 66 116.200 117.546 -1.346 1
1 785 . 10 1 1 A 67 67 PHE H H 67 8.720 7.869 0.851 1
1 786 . 10 1 1 A 67 67 PHE HA H 67 4.130 4.206 -0.076 1
1 793 . 10 1 1 A 67 67 PHE C C 67 176.900 177.396 -0.496 1
1 794 . 10 1 1 A 67 67 PHE CA C 67 61.500 60.733 0.767 1
1 795 . 10 1 1 A 67 67 PHE CB C 67 39.800 39.226 0.574 1
1 800 . 10 1 1 A 67 67 PHE N N 67 122.400 121.640 0.760 1
1 801 . 10 1 1 A 68 68 ARG H H 68 7.750 7.815 -0.065 1
1 802 . 10 1 1 A 68 68 ARG HA H 68 3.790 4.362 -0.572 1
1 809 . 10 1 1 A 68 68 ARG C C 68 176.800 177.902 -1.102 1
1 810 . 10 1 1 A 68 68 ARG CA C 68 59.200 57.897 1.303 1
1 811 . 10 1 1 A 68 68 ARG CB C 68 30.200 30.051 0.149 1
1 814 . 10 1 1 A 68 68 ARG N N 68 114.400 117.705 -3.305 1
1 815 . 10 1 1 A 69 69 LYS H H 69 7.360 7.692 -0.332 1
1 816 . 10 1 1 A 69 69 LYS HA H 69 4.190 4.218 -0.028 1
1 819 . 10 1 1 A 69 69 LYS C C 69 177.400 176.196 1.204 1
1 820 . 10 1 1 A 69 69 LYS CA C 69 56.700 58.113 -1.413 1
1 821 . 10 1 1 A 69 69 LYS CB C 69 33.000 32.662 0.338 1
1 825 . 10 1 1 A 69 69 LYS N N 69 115.600 117.289 -1.689 1
1 826 . 10 1 1 A 70 70 LEU H H 70 7.440 7.649 -0.209 1
1 827 . 10 1 1 A 70 70 LEU HA H 70 4.350 4.737 -0.387 1
1 830 . 10 1 1 A 70 70 LEU CA C 70 53.800 51.830 1.970 1
1 831 . 10 1 1 A 70 70 LEU CB C 70 41.000 43.682 -2.682 1
1 832 . 10 1 1 A 70 70 LEU N N 70 121.400 118.332 3.068 1
1 833 . 10 1 1 A 71 71 PRO HA H 71 4.460 4.555 -0.095 1
1 840 . 10 1 1 A 71 71 PRO C C 71 177.500 176.618 0.882 1
1 841 . 10 1 1 A 71 71 PRO CA C 71 62.800 62.302 0.498 1
1 842 . 10 1 1 A 71 71 PRO CB C 71 32.600 33.460 -0.860 1
1 845 . 10 1 1 A 72 72 GLU H H 72 9.010 8.648 0.362 1
1 846 . 10 1 1 A 72 72 GLU HA H 72 3.650 4.042 -0.392 1
1 851 . 10 1 1 A 72 72 GLU C C 72 177.600 178.731 -1.131 1
1 852 . 10 1 1 A 72 72 GLU CA C 72 60.500 59.200 1.300 1
1 853 . 10 1 1 A 72 72 GLU CB C 72 29.900 29.154 0.746 1
1 855 . 10 1 1 A 72 72 GLU N N 72 124.100 120.697 3.403 1
1 856 . 10 1 1 A 73 73 ASP H H 73 8.860 7.866 0.994 1
1 857 . 10 1 1 A 73 73 ASP HA H 73 4.290 4.467 -0.177 1
1 860 . 10 1 1 A 73 73 ASP C C 73 177.600 178.613 -1.013 1
1 861 . 10 1 1 A 73 73 ASP CA C 73 56.700 57.079 -0.379 1
1 862 . 10 1 1 A 73 73 ASP CB C 73 39.300 40.941 -1.641 1
1 863 . 10 1 1 A 73 73 ASP N N 73 116.200 120.243 -4.043 1
1 864 . 10 1 1 A 74 74 VAL H H 74 7.120 8.093 -0.973 1
1 865 . 10 1 1 A 74 74 VAL HA H 74 3.740 3.460 0.280 1
1 873 . 10 1 1 A 74 74 VAL C C 74 178.200 177.608 0.592 1
1 874 . 10 1 1 A 74 74 VAL CA C 74 65.000 66.992 -1.992 1
1 875 . 10 1 1 A 74 74 VAL CB C 74 32.100 31.518 0.582 1
1 878 . 10 1 1 A 74 74 VAL N N 74 120.400 120.195 0.205 1
1 879 . 10 1 1 A 75 75 ARG H H 75 7.700 8.093 -0.393 1
1 880 . 10 1 1 A 75 75 ARG HA H 75 3.790 3.979 -0.189 1
1 887 . 10 1 1 A 75 75 ARG C C 75 178.500 178.037 0.463 1
1 888 . 10 1 1 A 75 75 ARG CA C 75 59.600 59.365 0.235 1
1 889 . 10 1 1 A 75 75 ARG CB C 75 31.100 29.694 1.406 1
1 892 . 10 1 1 A 75 75 ARG N N 75 115.900 119.037 -3.137 1
1 893 . 10 1 1 A 76 76 SER H H 76 8.260 7.942 0.318 1
1 894 . 10 1 1 A 76 76 SER HA H 76 4.380 4.258 0.122 1
1 897 . 10 1 1 A 76 76 SER C C 76 174.700 175.585 -0.885 1
1 898 . 10 1 1 A 76 76 SER CA C 76 60.500 60.844 -0.344 1
1 899 . 10 1 1 A 76 76 SER CB C 76 63.500 63.226 0.274 1
1 900 . 10 1 1 A 76 76 SER N N 76 111.800 115.464 -3.664 1
1 901 . 10 1 1 A 77 77 ASN H H 77 7.380 8.059 -0.679 1
1 902 . 10 1 1 A 77 77 ASN HA H 77 5.010 4.845 0.165 1
1 907 . 10 1 1 A 77 77 ASN C C 77 174.300 174.632 -0.332 1
1 908 . 10 1 1 A 77 77 ASN CA C 77 52.600 52.981 -0.381 1
1 909 . 10 1 1 A 77 77 ASN CB C 77 39.800 38.730 1.070 1
1 910 . 10 1 1 A 77 77 ASN N N 77 118.000 116.966 1.034 1
1 912 . 10 1 1 A 78 78 VAL H H 78 7.300 7.351 -0.051 1
1 913 . 10 1 1 A 78 78 VAL HA H 78 3.850 4.360 -0.510 1
1 921 . 10 1 1 A 78 78 VAL C C 78 173.200 174.537 -1.337 1
1 922 . 10 1 1 A 78 78 VAL CA C 78 63.600 61.484 2.116 1
1 923 . 10 1 1 A 78 78 VAL CB C 78 32.100 33.000 -0.900 1
1 926 . 10 1 1 A 78 78 VAL N N 78 121.200 121.237 -0.037 1
1 927 . 10 1 1 A 79 79 ASP H H 79 7.660 8.232 -0.572 1
1 928 . 10 1 1 A 79 79 ASP HA H 79 4.380 5.072 -0.692 1
1 931 . 10 1 1 A 79 79 ASP C C 79 173.700 175.680 -1.980 1
1 932 . 10 1 1 A 79 79 ASP CA C 79 51.500 52.003 -0.503 1
1 933 . 10 1 1 A 79 79 ASP CB C 79 41.800 44.049 -2.249 1
1 934 . 10 1 1 A 79 79 ASP N N 79 127.000 127.920 -0.920 1
1 935 . 10 1 1 A 80 80 ALA H H 80 8.110 8.747 -0.637 1
1 936 . 10 1 1 A 80 80 ALA HA H 80 2.420 3.929 -1.509 1
1 940 . 10 1 1 A 80 80 ALA C C 80 178.700 179.869 -1.169 1
1 941 . 10 1 1 A 80 80 ALA CA C 80 55.600 55.397 0.203 1
1 942 . 10 1 1 A 80 80 ALA CB C 80 18.600 18.534 0.066 1
1 943 . 10 1 1 A 80 80 ALA N N 80 119.900 121.780 -1.880 1
1 944 . 10 1 1 A 81 81 ALA H H 81 7.760 8.159 -0.399 1
1 945 . 10 1 1 A 81 81 ALA HA H 81 4.030 3.940 0.090 1
1 949 . 10 1 1 A 81 81 ALA C C 81 180.700 179.696 1.004 1
1 950 . 10 1 1 A 81 81 ALA CA C 81 54.800 55.244 -0.444 1
1 951 . 10 1 1 A 81 81 ALA CB C 81 18.300 18.598 -0.298 1
1 952 . 10 1 1 A 81 81 ALA N N 81 118.500 120.320 -1.820 1
1 953 . 10 1 1 A 82 82 SER H H 82 8.480 8.029 0.451 1
1 954 . 10 1 1 A 82 82 SER HA H 82 4.240 3.975 0.265 1
1 957 . 10 1 1 A 82 82 SER C C 82 177.200 176.696 0.504 1
1 958 . 10 1 1 A 82 82 SER CA C 82 60.300 61.255 -0.955 1
1 959 . 10 1 1 A 82 82 SER CB C 82 62.700 62.953 -0.253 1
1 960 . 10 1 1 A 82 82 SER N N 82 115.300 112.437 2.863 1
1 961 . 10 1 1 A 83 83 ALA H H 83 8.970 8.111 0.859 1
1 962 . 10 1 1 A 83 83 ALA HA H 83 3.820 3.696 0.124 1
1 966 . 10 1 1 A 83 83 ALA C C 83 178.600 179.973 -1.373 1
1 967 . 10 1 1 A 83 83 ALA CA C 83 55.600 54.965 0.635 1
1 968 . 10 1 1 A 83 83 ALA CB C 83 19.400 17.483 1.917 1
1 969 . 10 1 1 A 83 83 ALA N N 83 124.700 121.860 2.840 1
1 970 . 10 1 1 A 84 84 ARG H H 84 7.250 8.041 -0.791 1
1 971 . 10 1 1 A 84 84 ARG HA H 84 3.740 4.060 -0.320 1
1 978 . 10 1 1 A 84 84 ARG C C 84 176.600 178.861 -2.261 1
1 979 . 10 1 1 A 84 84 ARG CA C 84 60.100 59.543 0.557 1
1 980 . 10 1 1 A 84 84 ARG CB C 84 29.900 29.797 0.103 1
1 983 . 10 1 1 A 84 84 ARG N N 84 116.500 117.460 -0.960 1
1 984 . 10 1 1 A 85 85 GLU H H 85 7.240 7.923 -0.683 1
1 985 . 10 1 1 A 85 85 GLU HA H 85 3.890 4.033 -0.143 1
1 990 . 10 1 1 A 85 85 GLU C C 85 179.800 179.490 0.310 1
1 991 . 10 1 1 A 85 85 GLU CA C 85 59.200 58.584 0.616 1
1 992 . 10 1 1 A 85 85 GLU CB C 85 29.300 29.810 -0.510 1
1 994 . 10 1 1 A 85 85 GLU N N 85 115.600 120.234 -4.634 1
1 995 . 10 1 1 A 86 86 LEU H H 86 8.620 8.691 -0.071 1
1 996 . 10 1 1 A 86 86 LEU HA H 86 4.030 3.972 0.058 1
1 1006 . 10 1 1 A 86 86 LEU C C 86 178.600 178.748 -0.148 1
1 1007 . 10 1 1 A 86 86 LEU CA C 86 58.100 57.797 0.303 1
1 1008 . 10 1 1 A 86 86 LEU CB C 86 42.200 41.994 0.206 1
1 1012 . 10 1 1 A 86 86 LEU N N 86 120.800 120.349 0.451 1
1 1013 . 10 1 1 A 87 87 MET H H 87 7.840 8.091 -0.251 1
1 1014 . 10 1 1 A 87 87 MET HA H 87 3.680 4.092 -0.412 1
1 1022 . 10 1 1 A 87 87 MET C C 87 175.600 178.469 -2.869 1
1 1023 . 10 1 1 A 87 87 MET CA C 87 60.000 58.845 1.155 1
1 1024 . 10 1 1 A 87 87 MET CB C 87 34.300 32.128 2.172 1
1 1027 . 10 1 1 A 87 87 MET N N 87 116.700 115.916 0.784 1
1 1028 . 10 1 1 A 88 88 LEU H H 88 7.490 8.150 -0.660 1
1 1029 . 10 1 1 A 88 88 LEU HA H 88 3.890 4.037 -0.147 1
1 1039 . 10 1 1 A 88 88 LEU C C 88 179.200 178.395 0.805 1
1 1040 . 10 1 1 A 88 88 LEU CA C 88 57.000 57.979 -0.979 1
1 1041 . 10 1 1 A 88 88 LEU CB C 88 41.800 41.502 0.298 1
1 1045 . 10 1 1 A 88 88 LEU N N 88 113.400 121.583 -8.183 1
1 1046 . 10 1 1 A 89 89 ALA H H 89 7.690 7.830 -0.140 1
1 1047 . 10 1 1 A 89 89 ALA HA H 89 4.210 4.261 -0.051 1
1 1051 . 10 1 1 A 89 89 ALA C C 89 179.100 177.869 1.231 1
1 1052 . 10 1 1 A 89 89 ALA CA C 89 54.100 54.571 -0.471 1
1 1053 . 10 1 1 A 89 89 ALA CB C 89 19.200 19.245 -0.045 1
1 1054 . 10 1 1 A 89 89 ALA N N 89 119.100 119.948 -0.848 1
1 1055 . 10 1 1 A 90 90 GLN H H 90 8.100 8.165 -0.065 1
1 1062 . 10 1 1 A 90 90 GLN CA C 90 53.400 53.091 0.309 1
1 1063 . 10 1 1 A 90 90 GLN CB C 90 30.900 28.729 2.171 1
1 1064 . 10 1 1 A 90 90 GLN N N 90 115.100 114.980 0.120 1
1 1066 . 10 1 1 A 91 91 PRO HA H 91 4.530 4.330 0.200 1
1 1073 . 10 1 1 A 91 91 PRO C C 91 178.300 177.506 0.794 1
1 1074 . 10 1 1 A 91 91 PRO CA C 91 64.300 63.992 0.308 1
1 1075 . 10 1 1 A 91 91 PRO CB C 91 31.800 31.703 0.097 1
1 1078 . 10 1 1 A 92 92 SER H H 92 8.510 8.379 0.131 1
1 1079 . 10 1 1 A 92 92 SER HA H 92 4.310 4.401 -0.091 1
1 1082 . 10 1 1 A 92 92 SER C C 92 174.200 175.796 -1.596 1
1 1083 . 10 1 1 A 92 92 SER CA C 92 62.000 60.382 1.618 1
1 1084 . 10 1 1 A 92 92 SER CB C 92 62.500 63.114 -0.614 1
1 1085 . 10 1 1 A 92 92 SER N N 92 115.000 113.633 1.367 1
1 1086 . 10 1 1 A 93 93 MET H H 93 8.790 7.443 1.347 1
1 1087 . 10 1 1 A 93 93 MET HA H 93 4.560 4.431 0.129 1
1 1092 . 10 1 1 A 93 93 MET C C 93 174.900 175.832 -0.932 1
1 1093 . 10 1 1 A 93 93 MET CA C 93 56.900 57.599 -0.699 1
1 1094 . 10 1 1 A 93 93 MET CB C 93 35.000 33.035 1.965 1
1 1096 . 10 1 1 A 93 93 MET N N 93 118.400 119.484 -1.084 1
1 1097 . 10 1 1 A 94 94 VAL H H 94 7.540 7.504 0.036 1
1 1098 . 10 1 1 A 94 94 VAL HA H 94 4.080 4.067 0.013 1
1 1106 . 10 1 1 A 94 94 VAL C C 94 178.000 175.707 2.293 1
1 1107 . 10 1 1 A 94 94 VAL CA C 94 63.100 62.064 1.036 1
1 1108 . 10 1 1 A 94 94 VAL CB C 94 31.700 32.682 -0.982 1
1 1111 . 10 1 1 A 94 94 VAL N N 94 121.000 116.880 4.120 1
1 1112 . 10 1 1 A 95 95 LYS H H 95 9.550 8.871 0.679 1
1 1113 . 10 1 1 A 95 95 LYS HA H 95 3.940 4.486 -0.546 1
1 1116 . 10 1 1 A 95 95 LYS CA C 95 58.800 56.753 2.047 1
1 1117 . 10 1 1 A 95 95 LYS CB C 95 33.500 33.461 0.039 1
1 1121 . 10 1 1 A 95 95 LYS N N 95 131.200 123.538 7.662 1
1 1122 . 10 1 1 A 96 96 ARG H H 96 8.260 8.909 -0.649 1
1 1125 . 10 1 1 A 96 96 ARG CA C 96 52.700 54.210 -1.510 1
1 1126 . 10 1 1 A 96 96 ARG CB C 96 34.400 33.434 0.966 1
1 1127 . 10 1 1 A 96 96 ARG N N 96 117.100 118.831 -1.731 1
1 1134 . 10 1 1 A 97 97 PRO C C 97 176.600 175.156 1.444 1
1 1135 . 10 1 1 A 97 97 PRO CA C 97 62.400 62.456 -0.056 1
1 1136 . 10 1 1 A 97 97 PRO CB C 97 34.700 32.704 1.996 1
1 1139 . 10 1 1 A 98 98 VAL H H 98 7.540 8.074 -0.534 1
1 1140 . 10 1 1 A 98 98 VAL HA H 98 4.460 4.651 -0.191 1
1 1148 . 10 1 1 A 98 98 VAL C C 98 173.500 174.148 -0.648 1
1 1149 . 10 1 1 A 98 98 VAL CA C 98 64.000 60.679 3.321 1
1 1150 . 10 1 1 A 98 98 VAL CB C 98 33.600 33.800 -0.200 1
1 1153 . 10 1 1 A 98 98 VAL N N 98 117.800 120.803 -3.003 1
1 1154 . 10 1 1 A 99 99 LEU H H 99 9.030 9.025 0.005 1
1 1155 . 10 1 1 A 99 99 LEU HA H 99 5.410 5.510 -0.100 1
1 1165 . 10 1 1 A 99 99 LEU C C 99 173.800 174.096 -0.296 1
1 1166 . 10 1 1 A 99 99 LEU CA C 99 54.300 53.487 0.813 1
1 1167 . 10 1 1 A 99 99 LEU CB C 99 45.800 45.818 -0.018 1
1 1171 . 10 1 1 A 99 99 LEU N N 99 131.400 130.244 1.156 1
1 1172 . 10 1 1 A 100 100 GLU H H 100 9.390 9.077 0.313 1
1 1173 . 10 1 1 A 100 100 GLU HA H 100 5.050 5.380 -0.330 1
1 1178 . 10 1 1 A 100 100 GLU C C 100 174.200 174.985 -0.785 1
1 1179 . 10 1 1 A 100 100 GLU CA C 100 55.300 54.851 0.449 1
1 1180 . 10 1 1 A 100 100 GLU CB C 100 35.600 33.762 1.838 1
1 1182 . 10 1 1 A 100 100 GLU N N 100 125.800 127.227 -1.427 1
1 1183 . 10 1 1 A 101 101 ARG H H 101 7.610 8.772 -1.162 1
1 1184 . 10 1 1 A 101 101 ARG C C 101 175.900 175.085 0.815 1
1 1185 . 10 1 1 A 101 101 ARG CA C 101 56.700 56.140 0.560 1
1 1186 . 10 1 1 A 101 101 ARG CB C 101 32.500 32.926 -0.426 1
1 1189 . 10 1 1 A 101 101 ARG N N 101 125.100 125.543 -0.443 1
1 1190 . 10 1 1 A 102 102 ASP H H 102 10.080 9.506 0.574 1
1 1191 . 10 1 1 A 102 102 ASP HA H 102 4.450 4.289 0.161 1
1 1194 . 10 1 1 A 102 102 ASP C C 102 175.700 175.509 0.191 1
1 1195 . 10 1 1 A 102 102 ASP CA C 102 55.300 55.047 0.253 1
1 1196 . 10 1 1 A 102 102 ASP CB C 102 40.500 39.714 0.786 1
1 1197 . 10 1 1 A 102 102 ASP N N 102 132.000 126.529 5.471 1
1 1198 . 10 1 1 A 103 103 GLY H H 103 8.870 8.466 0.404 1
1 1199 . 10 1 1 A 103 103 GLY HA2 H 103 4.120 3.836 0.284 1
1 1200 . 10 1 1 A 103 103 GLY HA3 H 103 3.830 3.838 -0.008 1
1 1201 . 10 1 1 A 103 103 GLY C C 103 174.000 173.781 0.219 1
1 1202 . 10 1 1 A 103 103 GLY CA C 103 45.600 45.774 -0.174 1
1 1203 . 10 1 1 A 103 103 GLY N N 103 102.900 104.127 -1.227 1
1 1204 . 10 1 1 A 104 104 LYS H H 104 8.130 7.807 0.323 1
1 1205 . 10 1 1 A 104 104 LYS HA H 104 4.650 4.741 -0.091 1
1 1208 . 10 1 1 A 104 104 LYS C C 104 176.500 174.582 1.918 1
1 1209 . 10 1 1 A 104 104 LYS CA C 104 55.500 54.490 1.010 1
1 1210 . 10 1 1 A 104 104 LYS CB C 104 32.600 34.962 -2.362 1
1 1214 . 10 1 1 A 104 104 LYS N N 104 122.400 120.715 1.685 1
1 1215 . 10 1 1 A 105 105 LEU H H 105 8.920 8.812 0.108 1
1 1216 . 10 1 1 A 105 105 LEU HA H 105 5.420 5.185 0.235 1
1 1226 . 10 1 1 A 105 105 LEU C C 105 177.200 175.085 2.115 1
1 1227 . 10 1 1 A 105 105 LEU CA C 105 54.300 53.758 0.542 1
1 1228 . 10 1 1 A 105 105 LEU CB C 105 45.400 44.460 0.940 1
1 1232 . 10 1 1 A 105 105 LEU N N 105 129.200 126.510 2.690 1
1 1233 . 10 1 1 A 106 106 MET H H 106 8.860 9.256 -0.396 1
1 1234 . 10 1 1 A 106 106 MET HA H 106 4.580 5.022 -0.442 1
1 1239 . 10 1 1 A 106 106 MET C C 106 174.500 174.588 -0.088 1
1 1240 . 10 1 1 A 106 106 MET CA C 106 55.300 54.467 0.833 1
1 1241 . 10 1 1 A 106 106 MET CB C 106 36.500 37.094 -0.594 1
1 1243 . 10 1 1 A 106 106 MET N N 106 121.500 125.006 -3.506 1
1 1244 . 10 1 1 A 107 107 VAL H H 107 9.180 8.540 0.640 1
1 1245 . 10 1 1 A 107 107 VAL HA H 107 4.690 4.298 0.392 1
1 1253 . 10 1 1 A 107 107 VAL C C 107 176.200 175.878 0.322 1
1 1254 . 10 1 1 A 107 107 VAL CA C 107 61.400 60.932 0.468 1
1 1255 . 10 1 1 A 107 107 VAL CB C 107 33.400 33.041 0.359 1
1 1258 . 10 1 1 A 107 107 VAL N N 107 129.500 121.961 7.539 1
1 1259 . 10 1 1 A 108 108 GLY H H 108 8.730 8.438 0.292 1
1 1260 . 10 1 1 A 108 108 GLY HA2 H 108 4.430 3.727 0.703 1
1 1261 . 10 1 1 A 108 108 GLY HA3 H 108 3.850 3.820 0.030 1
1 1262 . 10 1 1 A 108 108 GLY CA C 108 43.800 44.379 -0.579 1
1 1263 . 10 1 1 A 108 108 GLY N N 108 113.600 112.553 1.047 1
1 1271 . 10 1 1 A 109 109 PHE C C 109 172.700 175.326 -2.626 1
1 1272 . 10 1 1 A 109 109 PHE CA C 109 58.900 56.436 2.464 1
1 1273 . 10 1 1 A 109 109 PHE CB C 109 42.100 43.072 -0.972 1
1 1279 . 10 1 1 A 110 110 LYS H H 110 6.510 8.645 -2.135 1
1 1282 . 10 1 1 A 110 110 LYS CA C 110 53.500 55.203 -1.703 1
1 1283 . 10 1 1 A 110 110 LYS CB C 110 34.800 31.931 2.869 1
1 1284 . 10 1 1 A 110 110 LYS N N 110 126.600 121.535 5.065 1
1 1285 . 10 1 1 A 111 111 PRO HA H 111 3.360 4.241 -0.881 1
1 1292 . 10 1 1 A 111 111 PRO C C 111 177.100 178.674 -1.574 1
1 1293 . 10 1 1 A 111 111 PRO CA C 111 66.600 65.773 0.827 1
1 1294 . 10 1 1 A 111 111 PRO CB C 111 31.700 31.796 -0.096 1
1 1297 . 10 1 1 A 112 112 ALA H H 112 8.450 8.321 0.129 1
1 1298 . 10 1 1 A 112 112 ALA HA H 112 4.140 4.099 0.041 1
1 1302 . 10 1 1 A 112 112 ALA C C 112 180.300 180.612 -0.312 1
1 1303 . 10 1 1 A 112 112 ALA CA C 112 54.900 55.371 -0.471 1
1 1304 . 10 1 1 A 112 112 ALA CB C 112 18.800 18.445 0.355 1
1 1305 . 10 1 1 A 112 112 ALA N N 112 116.200 118.657 -2.457 1
1 1306 . 10 1 1 A 113 113 GLN H H 113 6.880 7.754 -0.874 1
1 1307 . 10 1 1 A 113 113 GLN HA H 113 4.130 4.057 0.073 1
1 1314 . 10 1 1 A 113 113 GLN C C 113 178.400 178.250 0.150 1
1 1315 . 10 1 1 A 113 113 GLN CA C 113 60.100 59.065 1.035 1
1 1316 . 10 1 1 A 113 113 GLN CB C 113 29.100 28.751 0.349 1
1 1318 . 10 1 1 A 113 113 GLN N N 113 118.200 117.706 0.494 1
1 1320 . 10 1 1 A 114 114 TYR H H 114 7.600 8.260 -0.660 1
1 1321 . 10 1 1 A 114 114 TYR HA H 114 3.800 4.152 -0.352 1
1 1328 . 10 1 1 A 114 114 TYR C C 114 177.100 178.232 -1.132 1
1 1329 . 10 1 1 A 114 114 TYR CA C 114 61.700 61.418 0.282 1
1 1330 . 10 1 1 A 114 114 TYR CB C 114 33.200 38.459 -5.259 1
1 1335 . 10 1 1 A 114 114 TYR N N 114 124.900 121.068 3.832 1
1 1336 . 10 1 1 A 115 115 GLU H H 115 8.610 8.536 0.074 1
1 1337 . 10 1 1 A 115 115 GLU HA H 115 4.160 4.376 -0.216 1
1 1342 . 10 1 1 A 115 115 GLU C C 115 178.800 179.420 -0.620 1
1 1343 . 10 1 1 A 115 115 GLU CA C 115 60.100 59.739 0.361 1
1 1344 . 10 1 1 A 115 115 GLU CB C 115 30.000 30.048 -0.048 1
1 1346 . 10 1 1 A 115 115 GLU N N 115 119.300 118.800 0.500 1
1 1347 . 10 1 1 A 116 116 ALA H H 116 7.390 8.035 -0.645 1
1 1348 . 10 1 1 A 116 116 ALA HA H 116 4.210 4.147 0.063 1
1 1352 . 10 1 1 A 116 116 ALA C C 116 179.700 179.564 0.136 1
1 1353 . 10 1 1 A 116 116 ALA CA C 116 54.600 54.926 -0.326 1
1 1354 . 10 1 1 A 116 116 ALA CB C 116 18.200 17.950 0.250 1
1 1355 . 10 1 1 A 116 116 ALA N N 116 118.200 122.380 -4.180 1
1 1356 . 10 1 1 A 117 117 TYR H H 117 7.780 8.100 -0.320 1
1 1357 . 10 1 1 A 117 117 TYR HA H 117 3.890 4.164 -0.274 1
1 1364 . 10 1 1 A 117 117 TYR C C 117 177.300 177.486 -0.186 1
1 1365 . 10 1 1 A 117 117 TYR CA C 117 61.100 61.602 -0.502 1
1 1366 . 10 1 1 A 117 117 TYR CB C 117 39.200 39.295 -0.095 1
1 1371 . 10 1 1 A 117 117 TYR N N 117 120.200 119.817 0.383 1
1 1372 . 10 1 1 A 118 118 PHE H H 118 7.960 8.420 -0.460 1
1 1379 . 10 1 1 A 118 118 PHE C C 118 174.900 175.944 -1.044 1
1 1380 . 10 1 1 A 118 118 PHE CA C 118 57.850 61.290 -3.440 1
1 1381 . 10 1 1 A 118 118 PHE CB C 118 39.100 39.327 -0.227 1
1 1386 . 10 1 1 A 118 118 PHE N N 118 113.100 121.020 -7.920 1
1 1387 . 10 1 1 A 119 119 LYS H H 119 7.670 7.983 -0.313 1
1 1388 . 10 1 1 A 119 119 LYS HA H 119 4.210 4.066 0.144 1
1 1397 . 10 1 1 A 119 119 LYS CA C 119 57.300 55.552 1.748 1
1 1398 . 10 1 1 A 119 119 LYS CB C 119 31.200 33.580 -2.380 1
1 1402 . 10 1 1 A 119 119 LYS N N 119 120.200 119.125 1.075 1
1 1 . 11 1 1 A 2 2 PRO HA H 2 4.500 4.609 -0.109 1
1 8 . 11 1 1 A 2 2 PRO C C 2 177.500 176.025 1.475 1
1 9 . 11 1 1 A 2 2 PRO CA C 2 63.500 62.355 1.145 1
1 10 . 11 1 1 A 2 2 PRO CB C 2 32.200 33.287 -1.087 1
1 13 . 11 1 1 A 3 3 GLY H H 3 8.113 8.421 -0.308 1
1 14 . 11 1 1 A 3 3 GLY HA2 H 3 4.060 3.992 0.068 1
1 15 . 11 1 1 A 3 3 GLY HA3 H 3 4.030 3.992 0.038 1
1 16 . 11 1 1 A 3 3 GLY CA C 3 45.300 46.181 -0.881 1
1 17 . 11 1 1 A 3 3 GLY N N 3 110.500 108.481 2.019 1
1 18 . 11 1 1 A 4 4 SER H H 4 8.280 8.392 -0.112 1
1 19 . 11 1 1 A 4 4 SER HA H 4 4.520 4.540 -0.020 1
1 22 . 11 1 1 A 4 4 SER C C 4 178.100 174.541 3.559 1
1 23 . 11 1 1 A 4 4 SER CA C 4 58.600 60.134 -1.534 1
1 24 . 11 1 1 A 4 4 SER CB C 4 63.800 64.286 -0.486 1
1 25 . 11 1 1 A 4 4 SER N N 4 115.900 120.953 -5.053 1
1 26 . 11 1 1 A 5 5 MET H H 5 8.680 7.948 0.732 1
1 27 . 11 1 1 A 5 5 MET HA H 5 4.700 5.191 -0.491 1
1 32 . 11 1 1 A 5 5 MET C C 5 174.800 174.639 0.161 1
1 33 . 11 1 1 A 5 5 MET CA C 5 54.900 52.815 2.085 1
1 34 . 11 1 1 A 5 5 MET CB C 5 32.500 35.873 -3.373 1
1 36 . 11 1 1 A 5 5 MET N N 5 121.500 117.337 4.163 1
1 37 . 11 1 1 A 6 6 SER H H 6 8.220 8.789 -0.569 1
1 38 . 11 1 1 A 6 6 SER HA H 6 4.580 5.307 -0.727 1
1 41 . 11 1 1 A 6 6 SER C C 6 174.200 172.169 2.031 1
1 42 . 11 1 1 A 6 6 SER CA C 6 59.100 56.706 2.394 1
1 43 . 11 1 1 A 6 6 SER CB C 6 63.800 66.288 -2.488 1
1 44 . 11 1 1 A 6 6 SER N N 6 117.000 113.599 3.401 1
1 45 . 11 1 1 A 7 7 VAL H H 7 8.750 8.662 0.088 1
1 46 . 11 1 1 A 7 7 VAL HA H 7 4.840 4.693 0.147 1
1 54 . 11 1 1 A 7 7 VAL C C 7 175.800 174.678 1.122 1
1 55 . 11 1 1 A 7 7 VAL CA C 7 61.800 61.124 0.676 1
1 56 . 11 1 1 A 7 7 VAL CB C 7 33.800 33.326 0.474 1
1 59 . 11 1 1 A 7 7 VAL N N 7 124.100 123.784 0.316 1
1 60 . 11 1 1 A 8 8 THR H H 8 8.880 8.349 0.531 1
1 61 . 11 1 1 A 8 8 THR HA H 8 5.360 5.150 0.210 1
1 66 . 11 1 1 A 8 8 THR C C 8 172.500 172.823 -0.323 1
1 67 . 11 1 1 A 8 8 THR CA C 8 61.700 61.456 0.244 1
1 68 . 11 1 1 A 8 8 THR CB C 8 70.600 71.991 -1.391 1
1 70 . 11 1 1 A 8 8 THR N N 8 124.500 121.465 3.035 1
1 71 . 11 1 1 A 9 9 ILE H H 9 9.170 9.338 -0.168 1
1 72 . 11 1 1 A 9 9 ILE HA H 9 5.610 5.640 -0.030 1
1 82 . 11 1 1 A 9 9 ILE C C 9 172.500 172.925 -0.425 1
1 83 . 11 1 1 A 9 9 ILE CA C 9 58.300 58.589 -0.289 1
1 84 . 11 1 1 A 9 9 ILE CB C 9 42.400 41.572 0.828 1
1 88 . 11 1 1 A 9 9 ILE N N 9 123.900 127.042 -3.142 1
1 89 . 11 1 1 A 10 10 TYR H H 10 9.740 9.480 0.260 1
1 90 . 11 1 1 A 10 10 TYR HA H 10 5.410 5.887 -0.477 1
1 95 . 11 1 1 A 10 10 TYR C C 10 177.500 176.359 1.141 1
1 96 . 11 1 1 A 10 10 TYR CA C 10 56.500 55.394 1.106 1
1 97 . 11 1 1 A 10 10 TYR CB C 10 40.300 41.070 -0.770 1
1 100 . 11 1 1 A 10 10 TYR N N 10 125.300 128.047 -2.747 1
1 101 . 11 1 1 A 11 11 GLY H H 11 7.880 8.758 -0.878 1
1 102 . 11 1 1 A 11 11 GLY HA2 H 11 4.700 4.460 0.240 1
1 103 . 11 1 1 A 11 11 GLY HA3 H 11 4.700 4.537 0.163 1
1 104 . 11 1 1 A 11 11 GLY C C 11 170.000 172.818 -2.818 1
1 105 . 11 1 1 A 11 11 GLY CA C 11 46.700 46.088 0.612 1
1 106 . 11 1 1 A 11 11 GLY N N 11 108.600 110.009 -1.409 1
1 107 . 11 1 1 A 12 12 ILE H H 12 6.340 8.794 -2.454 1
1 108 . 11 1 1 A 12 12 ILE HA H 12 5.330 5.256 0.074 1
1 118 . 11 1 1 A 12 12 ILE C C 12 175.100 174.906 0.194 1
1 119 . 11 1 1 A 12 12 ILE CA C 12 59.300 58.855 0.445 1
1 120 . 11 1 1 A 12 12 ILE CB C 12 41.000 41.962 -0.962 1
1 124 . 11 1 1 A 12 12 ILE N N 12 113.300 118.599 -5.299 1
1 125 . 11 1 1 A 13 13 LYS H H 13 9.450 9.072 0.378 1
1 126 . 11 1 1 A 13 13 LYS HA H 13 4.090 4.770 -0.680 1
1 129 . 11 1 1 A 13 13 LYS C C 13 177.800 176.882 0.918 1
1 130 . 11 1 1 A 13 13 LYS CA C 13 59.200 55.583 3.617 1
1 131 . 11 1 1 A 13 13 LYS CB C 13 33.600 33.325 0.275 1
1 133 . 11 1 1 A 13 13 LYS N N 13 120.900 123.349 -2.449 1
1 134 . 11 1 1 A 14 14 ASN H H 14 8.700 7.892 0.808 1
1 135 . 11 1 1 A 14 14 ASN HA H 14 4.690 5.017 -0.327 1
1 140 . 11 1 1 A 14 14 ASN C C 14 173.100 173.829 -0.729 1
1 141 . 11 1 1 A 14 14 ASN CA C 14 52.700 52.528 0.172 1
1 142 . 11 1 1 A 14 14 ASN CB C 14 36.300 39.190 -2.890 1
1 143 . 11 1 1 A 14 14 ASN N N 14 116.600 119.544 -2.944 1
1 145 . 11 1 1 A 15 15 CYS H H 15 7.440 7.787 -0.347 1
1 146 . 11 1 1 A 15 15 CYS HA H 15 4.510 4.857 -0.347 1
1 149 . 11 1 1 A 15 15 CYS CA C 15 59.100 57.813 1.287 1
1 150 . 11 1 1 A 15 15 CYS CB C 15 30.800 31.906 -1.106 1
1 151 . 11 1 1 A 15 15 CYS N N 15 124.400 118.135 6.265 1
1 152 . 11 1 1 A 16 16 ASP HA H 16 4.460 4.815 -0.355 1
1 155 . 11 1 1 A 16 16 ASP C C 16 178.000 177.798 0.202 1
1 156 . 11 1 1 A 16 16 ASP CA C 16 57.500 55.118 2.382 1
1 157 . 11 1 1 A 16 16 ASP CB C 16 41.400 41.976 -0.576 1
1 158 . 11 1 1 A 17 17 THR H H 17 9.210 7.861 1.349 1
1 159 . 11 1 1 A 17 17 THR HA H 17 4.000 3.813 0.187 1
1 164 . 11 1 1 A 17 17 THR C C 17 176.000 176.695 -0.695 1
1 165 . 11 1 1 A 17 17 THR CA C 17 67.400 67.379 0.021 1
1 166 . 11 1 1 A 17 17 THR CB C 17 68.200 68.405 -0.205 1
1 168 . 11 1 1 A 17 17 THR N N 17 122.200 116.899 5.301 1
1 169 . 11 1 1 A 18 18 MET H H 18 8.940 8.231 0.709 1
1 170 . 11 1 1 A 18 18 MET HA H 18 3.990 3.964 0.026 1
1 176 . 11 1 1 A 18 18 MET C C 18 178.300 178.900 -0.600 1
1 177 . 11 1 1 A 18 18 MET CA C 18 56.000 59.273 -3.273 1
1 178 . 11 1 1 A 18 18 MET CB C 18 31.400 32.674 -1.274 1
1 181 . 11 1 1 A 18 18 MET N N 18 125.300 118.192 7.108 1
1 182 . 11 1 1 A 19 19 LYS H H 19 8.080 8.009 0.071 1
1 183 . 11 1 1 A 19 19 LYS HA H 19 3.800 3.873 -0.073 1
1 186 . 11 1 1 A 19 19 LYS CA C 19 60.000 59.701 0.299 1
1 187 . 11 1 1 A 19 19 LYS CB C 19 32.500 32.558 -0.058 1
1 191 . 11 1 1 A 19 19 LYS N N 19 117.900 120.755 -2.855 1
1 192 . 11 1 1 A 20 20 LYS H H 20 7.510 7.687 -0.177 1
1 193 . 11 1 1 A 20 20 LYS HA H 20 3.790 4.106 -0.316 1
1 198 . 11 1 1 A 20 20 LYS C C 20 178.500 179.089 -0.589 1
1 199 . 11 1 1 A 20 20 LYS CA C 20 59.500 59.735 -0.235 1
1 200 . 11 1 1 A 20 20 LYS CB C 20 32.800 32.555 0.245 1
1 204 . 11 1 1 A 20 20 LYS N N 20 117.500 119.052 -1.552 1
1 205 . 11 1 1 A 21 21 ALA H H 21 7.730 8.248 -0.518 1
1 206 . 11 1 1 A 21 21 ALA HA H 21 2.540 4.054 -1.514 1
1 210 . 11 1 1 A 21 21 ALA C C 21 178.700 179.784 -1.084 1
1 211 . 11 1 1 A 21 21 ALA CA C 21 54.400 55.298 -0.898 1
1 212 . 11 1 1 A 21 21 ALA CB C 21 19.000 18.419 0.581 1
1 213 . 11 1 1 A 21 21 ALA N N 21 123.600 122.211 1.389 1
1 214 . 11 1 1 A 22 22 ARG H H 22 8.110 8.354 -0.244 1
1 215 . 11 1 1 A 22 22 ARG HA H 22 3.490 4.480 -0.990 1
1 222 . 11 1 1 A 22 22 ARG C C 22 178.200 178.593 -0.393 1
1 223 . 11 1 1 A 22 22 ARG CA C 22 60.500 59.492 1.008 1
1 224 . 11 1 1 A 22 22 ARG CB C 22 30.700 29.842 0.858 1
1 227 . 11 1 1 A 22 22 ARG N N 22 116.100 118.152 -2.052 1
1 228 . 11 1 1 A 23 23 ILE H H 23 7.860 8.186 -0.326 1
1 229 . 11 1 1 A 23 23 ILE HA H 23 3.710 3.777 -0.067 1
1 239 . 11 1 1 A 23 23 ILE C C 23 177.200 178.655 -1.455 1
1 240 . 11 1 1 A 23 23 ILE CA C 23 65.000 64.684 0.316 1
1 241 . 11 1 1 A 23 23 ILE CB C 23 38.000 37.327 0.673 1
1 245 . 11 1 1 A 23 23 ILE N N 23 119.400 118.843 0.557 1
1 246 . 11 1 1 A 24 24 TRP H H 24 7.880 8.177 -0.297 1
1 247 . 11 1 1 A 24 24 TRP HA H 24 4.270 4.393 -0.123 1
1 256 . 11 1 1 A 24 24 TRP C C 24 176.100 178.494 -2.394 1
1 257 . 11 1 1 A 24 24 TRP CA C 24 63.100 61.183 1.917 1
1 258 . 11 1 1 A 24 24 TRP CB C 24 30.200 29.895 0.305 1
1 264 . 11 1 1 A 24 24 TRP N N 24 121.000 122.518 -1.518 1
1 266 . 11 1 1 A 25 25 LEU H H 25 8.690 8.733 -0.043 1
1 267 . 11 1 1 A 25 25 LEU HA H 25 4.000 4.007 -0.007 1
1 277 . 11 1 1 A 25 25 LEU C C 25 178.600 179.391 -0.791 1
1 278 . 11 1 1 A 25 25 LEU CA C 25 59.700 57.799 1.901 1
1 279 . 11 1 1 A 25 25 LEU CB C 25 41.200 40.664 0.536 1
1 283 . 11 1 1 A 25 25 LEU N N 25 121.800 119.618 2.182 1
1 284 . 11 1 1 A 26 26 GLU H H 26 8.580 8.472 0.108 1
1 285 . 11 1 1 A 26 26 GLU HA H 26 4.200 4.159 0.041 1
1 290 . 11 1 1 A 26 26 GLU C C 26 181.200 178.727 2.473 1
1 291 . 11 1 1 A 26 26 GLU CA C 26 59.500 59.803 -0.303 1
1 292 . 11 1 1 A 26 26 GLU CB C 26 28.800 29.796 -0.996 1
1 294 . 11 1 1 A 26 26 GLU N N 26 120.600 119.657 0.943 1
1 295 . 11 1 1 A 27 27 ASP H H 27 9.360 8.453 0.907 1
1 296 . 11 1 1 A 27 27 ASP HA H 27 4.270 4.255 0.015 1
1 299 . 11 1 1 A 27 27 ASP C C 27 177.400 178.584 -1.184 1
1 300 . 11 1 1 A 27 27 ASP CA C 27 56.400 56.991 -0.591 1
1 301 . 11 1 1 A 27 27 ASP CB C 27 40.000 41.744 -1.744 1
1 302 . 11 1 1 A 27 27 ASP N N 27 121.800 120.586 1.214 1
1 303 . 11 1 1 A 28 28 HIS H H 28 7.340 7.982 -0.642 1
1 304 . 11 1 1 A 28 28 HIS HA H 28 4.250 4.279 -0.029 1
1 309 . 11 1 1 A 28 28 HIS C C 28 173.600 175.344 -1.744 1
1 310 . 11 1 1 A 28 28 HIS CA C 28 56.700 58.478 -1.778 1
1 311 . 11 1 1 A 28 28 HIS CB C 28 27.500 30.465 -2.965 1
1 314 . 11 1 1 A 28 28 HIS N N 28 113.400 119.084 -5.684 1
1 315 . 11 1 1 A 29 29 GLY H H 29 7.790 8.417 -0.627 1
1 316 . 11 1 1 A 29 29 GLY HA2 H 29 3.870 3.865 0.005 1
1 317 . 11 1 1 A 29 29 GLY HA3 H 29 3.870 3.909 -0.039 1
1 318 . 11 1 1 A 29 29 GLY C C 29 174.200 174.744 -0.544 1
1 319 . 11 1 1 A 29 29 GLY CA C 29 46.900 46.862 0.038 1
1 320 . 11 1 1 A 29 29 GLY N N 29 109.400 107.771 1.629 1
1 321 . 11 1 1 A 30 30 ILE H H 30 8.120 7.994 0.126 1
1 322 . 11 1 1 A 30 30 ILE HA H 30 4.040 4.524 -0.484 1
1 332 . 11 1 1 A 30 30 ILE C C 30 175.500 174.838 0.662 1
1 333 . 11 1 1 A 30 30 ILE CA C 30 60.000 60.197 -0.197 1
1 334 . 11 1 1 A 30 30 ILE CB C 30 38.100 39.449 -1.349 1
1 338 . 11 1 1 A 30 30 ILE N N 30 121.800 120.369 1.431 1
1 339 . 11 1 1 A 31 31 ASP H H 31 8.430 8.950 -0.520 1
1 340 . 11 1 1 A 31 31 ASP HA H 31 4.650 5.015 -0.365 1
1 343 . 11 1 1 A 31 31 ASP C C 31 175.800 175.412 0.388 1
1 344 . 11 1 1 A 31 31 ASP CA C 31 54.600 53.379 1.221 1
1 345 . 11 1 1 A 31 31 ASP CB C 31 41.600 41.551 0.049 1
1 346 . 11 1 1 A 31 31 ASP N N 31 128.500 127.844 0.656 1
1 347 . 11 1 1 A 32 32 TYR H H 32 7.920 9.001 -1.081 1
1 348 . 11 1 1 A 32 32 TYR HA H 32 5.500 5.604 -0.104 1
1 355 . 11 1 1 A 32 32 TYR C C 32 173.800 172.731 1.069 1
1 356 . 11 1 1 A 32 32 TYR CA C 32 56.100 56.047 0.053 1
1 357 . 11 1 1 A 32 32 TYR CB C 32 41.700 41.340 0.360 1
1 362 . 11 1 1 A 32 32 TYR N N 32 117.500 122.943 -5.443 1
1 363 . 11 1 1 A 33 33 THR H H 33 8.900 8.838 0.062 1
1 364 . 11 1 1 A 33 33 THR HA H 33 4.470 4.590 -0.120 1
1 369 . 11 1 1 A 33 33 THR C C 33 172.900 173.503 -0.603 1
1 370 . 11 1 1 A 33 33 THR CA C 33 61.800 62.317 -0.517 1
1 371 . 11 1 1 A 33 33 THR CB C 33 70.800 69.615 1.185 1
1 373 . 11 1 1 A 33 33 THR N N 33 117.100 117.536 -0.436 1
1 374 . 11 1 1 A 34 34 PHE H H 34 9.280 8.764 0.516 1
1 375 . 11 1 1 A 34 34 PHE HA H 34 5.520 4.785 0.735 1
1 383 . 11 1 1 A 34 34 PHE CA C 34 53.900 57.380 -3.480 1
1 384 . 11 1 1 A 34 34 PHE CB C 34 39.900 40.384 -0.484 1
1 390 . 11 1 1 A 34 34 PHE N N 34 128.200 126.676 1.524 1
1 391 . 11 1 1 A 35 35 HIS H H 35 9.210 8.952 0.258 1
1 392 . 11 1 1 A 35 35 HIS HA H 35 4.240 4.638 -0.398 1
1 397 . 11 1 1 A 35 35 HIS CA C 35 54.900 53.553 1.347 1
1 398 . 11 1 1 A 35 35 HIS CB C 35 30.700 32.256 -1.556 1
1 401 . 11 1 1 A 35 35 HIS N N 35 133.900 125.091 8.809 1
1 402 . 11 1 1 A 36 36 ASP H H 36 7.930 8.325 -0.395 1
1 403 . 11 1 1 A 36 36 ASP HA H 36 4.470 5.211 -0.741 1
1 406 . 11 1 1 A 36 36 ASP C C 36 178.500 177.023 1.477 1
1 407 . 11 1 1 A 36 36 ASP CA C 36 50.900 52.915 -2.015 1
1 408 . 11 1 1 A 36 36 ASP CB C 36 42.200 42.628 -0.428 1
1 409 . 11 1 1 A 36 36 ASP N N 36 127.000 123.977 3.023 1
1 410 . 11 1 1 A 37 37 TYR H H 37 9.290 9.279 0.011 1
1 417 . 11 1 1 A 37 37 TYR C C 37 178.700 177.521 1.179 1
1 418 . 11 1 1 A 37 37 TYR CA C 37 58.700 61.038 -2.338 1
1 419 . 11 1 1 A 37 37 TYR CB C 37 39.100 37.783 1.317 1
1 424 . 11 1 1 A 37 37 TYR N N 37 126.400 124.758 1.642 1
1 425 . 11 1 1 A 38 38 LYS H H 38 8.880 7.320 1.560 1
1 426 . 11 1 1 A 38 38 LYS HA H 38 4.300 3.624 0.676 1
1 429 . 11 1 1 A 38 38 LYS CA C 38 57.700 59.038 -1.338 1
1 430 . 11 1 1 A 38 38 LYS CB C 38 31.600 32.064 -0.464 1
1 434 . 11 1 1 A 38 38 LYS N N 38 115.800 122.266 -6.466 1
1 435 . 11 1 1 A 39 39 LYS H H 39 7.330 7.691 -0.361 1
1 436 . 11 1 1 A 39 39 LYS HA H 39 4.420 3.763 0.657 1
1 443 . 11 1 1 A 39 39 LYS CA C 39 57.500 59.990 -2.490 1
1 444 . 11 1 1 A 39 39 LYS CB C 39 34.600 32.039 2.561 1
1 448 . 11 1 1 A 39 39 LYS N N 39 118.800 117.981 0.819 1
1 449 . 11 1 1 A 40 40 GLU H H 40 8.570 7.853 0.717 1
1 450 . 11 1 1 A 40 40 GLU HA H 40 4.280 4.120 0.160 1
1 455 . 11 1 1 A 40 40 GLU CA C 40 57.900 57.739 0.161 1
1 456 . 11 1 1 A 40 40 GLU CB C 40 29.300 30.280 -0.980 1
1 458 . 11 1 1 A 40 40 GLU N N 40 117.600 117.633 -0.033 1
1 459 . 11 1 1 A 41 41 GLY H H 41 7.470 7.847 -0.377 1
1 460 . 11 1 1 A 41 41 GLY HA2 H 41 4.310 3.855 0.455 1
1 461 . 11 1 1 A 41 41 GLY HA3 H 41 4.170 3.866 0.304 1
1 462 . 11 1 1 A 41 41 GLY CA C 41 44.900 46.321 -1.421 1
1 463 . 11 1 1 A 41 41 GLY N N 41 106.300 107.626 -1.326 1
1 464 . 11 1 1 A 42 42 LEU H H 42 8.290 8.047 0.243 1
1 465 . 11 1 1 A 42 42 LEU HA H 42 4.950 4.797 0.153 1
1 475 . 11 1 1 A 42 42 LEU C C 42 173.800 175.083 -1.283 1
1 476 . 11 1 1 A 42 42 LEU CA C 42 54.500 54.726 -0.226 1
1 477 . 11 1 1 A 42 42 LEU CB C 42 43.400 42.203 1.197 1
1 481 . 11 1 1 A 42 42 LEU N N 42 121.000 123.443 -2.443 1
1 482 . 11 1 1 A 43 43 ASP H H 43 8.520 8.583 -0.063 1
1 483 . 11 1 1 A 43 43 ASP HA H 43 4.800 4.968 -0.168 1
1 486 . 11 1 1 A 43 43 ASP C C 43 175.400 176.672 -1.272 1
1 487 . 11 1 1 A 43 43 ASP CA C 43 51.600 52.032 -0.432 1
1 488 . 11 1 1 A 43 43 ASP CB C 43 42.200 43.712 -1.512 1
1 489 . 11 1 1 A 43 43 ASP N N 43 124.800 127.129 -2.329 1
1 490 . 11 1 1 A 44 44 ALA H H 44 8.640 8.739 -0.099 1
1 491 . 11 1 1 A 44 44 ALA HA H 44 3.780 4.070 -0.290 1
1 495 . 11 1 1 A 44 44 ALA C C 44 178.100 179.657 -1.557 1
1 496 . 11 1 1 A 44 44 ALA CA C 44 55.400 55.511 -0.111 1
1 497 . 11 1 1 A 44 44 ALA CB C 44 18.100 18.164 -0.064 1
1 498 . 11 1 1 A 44 44 ALA N N 44 122.400 125.665 -3.265 1
1 499 . 11 1 1 A 45 45 GLU H H 45 8.240 8.185 0.055 1
1 500 . 11 1 1 A 45 45 GLU HA H 45 3.920 4.005 -0.085 1
1 505 . 11 1 1 A 45 45 GLU C C 45 179.300 178.966 0.334 1
1 506 . 11 1 1 A 45 45 GLU CA C 45 59.800 59.791 0.009 1
1 507 . 11 1 1 A 45 45 GLU CB C 45 29.200 29.365 -0.165 1
1 509 . 11 1 1 A 45 45 GLU N N 45 115.600 118.845 -3.245 1
1 510 . 11 1 1 A 46 46 THR H H 46 7.910 8.035 -0.125 1
1 511 . 11 1 1 A 46 46 THR HA H 46 3.500 3.849 -0.349 1
1 516 . 11 1 1 A 46 46 THR C C 46 174.300 176.149 -1.849 1
1 517 . 11 1 1 A 46 46 THR CA C 46 66.600 67.394 -0.794 1
1 518 . 11 1 1 A 46 46 THR CB C 46 67.700 68.435 -0.735 1
1 520 . 11 1 1 A 46 46 THR N N 46 117.700 116.473 1.227 1
1 521 . 11 1 1 A 47 47 LEU H H 47 7.710 8.280 -0.570 1
1 522 . 11 1 1 A 47 47 LEU HA H 47 3.510 4.081 -0.571 1
1 532 . 11 1 1 A 47 47 LEU C C 47 178.000 178.198 -0.198 1
1 533 . 11 1 1 A 47 47 LEU CA C 47 57.900 58.418 -0.518 1
1 534 . 11 1 1 A 47 47 LEU CB C 47 41.500 41.369 0.131 1
1 538 . 11 1 1 A 47 47 LEU N N 47 120.400 121.100 -0.700 1
1 539 . 11 1 1 A 48 48 ASP H H 48 9.000 8.795 0.205 1
1 540 . 11 1 1 A 48 48 ASP HA H 48 4.490 4.288 0.202 1
1 543 . 11 1 1 A 48 48 ASP C C 48 179.100 178.710 0.390 1
1 544 . 11 1 1 A 48 48 ASP CA C 48 57.500 57.692 -0.192 1
1 545 . 11 1 1 A 48 48 ASP CB C 48 39.100 41.658 -2.558 1
1 546 . 11 1 1 A 48 48 ASP N N 48 116.800 118.951 -2.151 1
1 547 . 11 1 1 A 49 49 ARG H H 49 7.560 7.987 -0.427 1
1 548 . 11 1 1 A 49 49 ARG HA H 49 4.110 3.998 0.112 1
1 555 . 11 1 1 A 49 49 ARG C C 49 180.100 179.154 0.946 1
1 556 . 11 1 1 A 49 49 ARG CA C 49 60.300 59.387 0.913 1
1 557 . 11 1 1 A 49 49 ARG CB C 49 29.600 29.416 0.184 1
1 560 . 11 1 1 A 49 49 ARG N N 49 122.100 118.566 3.534 1
1 561 . 11 1 1 A 50 50 PHE H H 50 8.300 7.972 0.328 1
1 562 . 11 1 1 A 50 50 PHE HA H 50 4.550 4.314 0.236 1
1 569 . 11 1 1 A 50 50 PHE C C 50 178.400 178.151 0.249 1
1 570 . 11 1 1 A 50 50 PHE CA C 50 57.500 61.252 -3.752 1
1 571 . 11 1 1 A 50 50 PHE CB C 50 36.900 38.816 -1.916 1
1 576 . 11 1 1 A 50 50 PHE N N 50 122.100 119.330 2.770 1
1 577 . 11 1 1 A 51 51 LEU H H 51 8.460 8.512 -0.052 1
1 587 . 11 1 1 A 51 51 LEU CA C 51 55.920 58.062 -2.142 1
1 588 . 11 1 1 A 51 51 LEU CB C 51 42.400 41.651 0.749 1
1 592 . 11 1 1 A 51 51 LEU N N 51 117.000 121.023 -4.023 1
1 593 . 11 1 1 A 52 52 LYS H H 52 7.660 8.077 -0.417 1
1 594 . 11 1 1 A 52 52 LYS HA H 52 4.180 3.995 0.185 1
1 603 . 11 1 1 A 52 52 LYS C C 52 178.300 179.662 -1.362 1
1 604 . 11 1 1 A 52 52 LYS CA C 52 58.700 59.531 -0.831 1
1 605 . 11 1 1 A 52 52 LYS CB C 52 32.700 32.526 0.174 1
1 609 . 11 1 1 A 52 52 LYS N N 52 119.100 120.127 -1.027 1
1 610 . 11 1 1 A 53 53 THR H H 53 7.430 7.306 0.124 1
1 611 . 11 1 1 A 53 53 THR HA H 53 4.570 4.238 0.332 1
1 616 . 11 1 1 A 53 53 THR C C 53 173.800 174.647 -0.847 1
1 617 . 11 1 1 A 53 53 THR CA C 53 62.600 65.413 -2.813 1
1 618 . 11 1 1 A 53 53 THR CB C 53 70.800 69.906 0.894 1
1 620 . 11 1 1 A 53 53 THR N N 53 107.400 111.222 -3.822 1
1 621 . 11 1 1 A 54 54 VAL H H 54 8.500 8.151 0.349 1
1 622 . 11 1 1 A 54 54 VAL HA H 54 4.540 4.590 -0.050 1
1 630 . 11 1 1 A 54 54 VAL C C 54 179.400 173.469 5.931 1
1 631 . 11 1 1 A 54 54 VAL CA C 54 59.100 58.922 0.178 1
1 632 . 11 1 1 A 54 54 VAL CB C 54 33.500 35.328 -1.828 1
1 635 . 11 1 1 A 54 54 VAL N N 54 125.200 119.434 5.766 1
1 636 . 11 1 1 A 55 55 PRO HA H 55 4.590 4.571 0.019 1
1 643 . 11 1 1 A 55 55 PRO C C 55 179.400 177.679 1.721 1
1 644 . 11 1 1 A 55 55 PRO CA C 55 62.100 62.612 -0.512 1
1 645 . 11 1 1 A 55 55 PRO CB C 55 32.900 32.724 0.176 1
1 648 . 11 1 1 A 56 56 TRP H H 56 8.690 8.837 -0.147 1
1 649 . 11 1 1 A 56 56 TRP HA H 56 3.990 4.314 -0.324 1
1 657 . 11 1 1 A 56 56 TRP C C 56 177.500 177.934 -0.434 1
1 658 . 11 1 1 A 56 56 TRP CA C 56 61.000 60.177 0.823 1
1 659 . 11 1 1 A 56 56 TRP CB C 56 27.400 28.779 -1.379 1
1 664 . 11 1 1 A 56 56 TRP N N 56 122.500 125.119 -2.619 1
1 666 . 11 1 1 A 57 57 GLU H H 57 8.410 7.995 0.415 1
1 667 . 11 1 1 A 57 57 GLU HA H 57 3.270 3.770 -0.500 1
1 672 . 11 1 1 A 57 57 GLU C C 57 178.000 176.945 1.055 1
1 673 . 11 1 1 A 57 57 GLU CA C 57 60.200 58.721 1.479 1
1 674 . 11 1 1 A 57 57 GLU CB C 57 28.200 28.518 -0.318 1
1 676 . 11 1 1 A 57 57 GLU N N 57 120.600 118.645 1.955 1
1 677 . 11 1 1 A 58 58 GLN H H 58 7.600 7.713 -0.113 1
1 678 . 11 1 1 A 58 58 GLN HA H 58 4.170 4.570 -0.400 1
1 683 . 11 1 1 A 58 58 GLN C C 58 175.500 176.017 -0.517 1
1 684 . 11 1 1 A 58 58 GLN CA C 58 56.000 54.679 1.321 1
1 685 . 11 1 1 A 58 58 GLN CB C 58 29.600 28.953 0.647 1
1 687 . 11 1 1 A 58 58 GLN N N 58 114.700 118.634 -3.934 1
1 688 . 11 1 1 A 59 59 LEU H H 59 7.440 8.143 -0.703 1
1 689 . 11 1 1 A 59 59 LEU HA H 59 4.220 4.610 -0.390 1
1 699 . 11 1 1 A 59 59 LEU C C 59 175.100 176.110 -1.010 1
1 700 . 11 1 1 A 59 59 LEU CA C 59 55.600 55.912 -0.312 1
1 701 . 11 1 1 A 59 59 LEU CB C 59 44.700 45.279 -0.579 1
1 705 . 11 1 1 A 59 59 LEU N N 59 119.500 120.445 -0.945 1
1 706 . 11 1 1 A 60 60 LEU H H 60 8.120 7.398 0.722 1
1 707 . 11 1 1 A 60 60 LEU HA H 60 4.410 4.696 -0.286 1
1 717 . 11 1 1 A 60 60 LEU C C 60 176.100 176.496 -0.396 1
1 718 . 11 1 1 A 60 60 LEU CA C 60 55.400 53.477 1.923 1
1 719 . 11 1 1 A 60 60 LEU CB C 60 42.900 43.612 -0.712 1
1 723 . 11 1 1 A 60 60 LEU N N 60 119.300 115.889 3.411 1
1 724 . 11 1 1 A 61 61 ASN H H 61 9.120 8.941 0.179 1
1 729 . 11 1 1 A 61 61 ASN C C 61 175.600 174.550 1.050 1
1 730 . 11 1 1 A 61 61 ASN CA C 61 51.300 53.300 -2.000 1
1 731 . 11 1 1 A 61 61 ASN CB C 61 36.800 39.151 -2.351 1
1 732 . 11 1 1 A 61 61 ASN N N 61 124.900 118.557 6.343 1
1 734 . 11 1 1 A 62 62 ARG H H 62 8.140 8.807 -0.667 1
1 735 . 11 1 1 A 62 62 ARG HA H 62 3.450 3.820 -0.370 1
1 742 . 11 1 1 A 62 62 ARG C C 62 175.200 177.354 -2.154 1
1 743 . 11 1 1 A 62 62 ARG CA C 62 57.600 56.399 1.201 1
1 744 . 11 1 1 A 62 62 ARG CB C 62 30.200 32.146 -1.946 1
1 747 . 11 1 1 A 62 62 ARG N N 62 125.500 120.939 4.561 1
1 748 . 11 1 1 A 63 63 ALA H H 63 7.610 7.552 0.058 1
1 749 . 11 1 1 A 63 63 ALA HA H 63 4.460 4.321 0.139 1
1 753 . 11 1 1 A 63 63 ALA C C 63 178.300 178.563 -0.263 1
1 754 . 11 1 1 A 63 63 ALA CA C 63 51.800 53.730 -1.930 1
1 755 . 11 1 1 A 63 63 ALA CB C 63 19.300 19.592 -0.292 1
1 756 . 11 1 1 A 63 63 ALA N N 63 118.600 121.403 -2.803 1
1 757 . 11 1 1 A 64 64 GLY H H 64 7.150 7.957 -0.807 1
1 758 . 11 1 1 A 64 64 GLY HA2 H 64 4.410 4.100 0.310 1
1 759 . 11 1 1 A 64 64 GLY HA3 H 64 4.020 4.107 -0.087 1
1 760 . 11 1 1 A 64 64 GLY C C 64 173.500 174.839 -1.339 1
1 761 . 11 1 1 A 64 64 GLY CA C 64 45.400 44.890 0.510 1
1 762 . 11 1 1 A 64 64 GLY N N 64 105.700 106.017 -0.317 1
1 763 . 11 1 1 A 65 65 THR H H 65 8.340 8.803 -0.463 1
1 764 . 11 1 1 A 65 65 THR HA H 65 3.880 4.168 -0.288 1
1 769 . 11 1 1 A 65 65 THR C C 65 176.300 176.493 -0.193 1
1 770 . 11 1 1 A 65 65 THR CA C 65 65.500 65.231 0.269 1
1 771 . 11 1 1 A 65 65 THR CB C 65 69.000 68.469 0.531 1
1 773 . 11 1 1 A 65 65 THR N N 65 113.400 113.736 -0.336 1
1 774 . 11 1 1 A 66 66 THR H H 66 7.940 8.237 -0.297 1
1 775 . 11 1 1 A 66 66 THR HA H 66 3.820 4.086 -0.266 1
1 780 . 11 1 1 A 66 66 THR C C 66 176.100 176.756 -0.656 1
1 781 . 11 1 1 A 66 66 THR CA C 66 67.000 65.804 1.196 1
1 782 . 11 1 1 A 66 66 THR CB C 66 68.000 67.961 0.039 1
1 784 . 11 1 1 A 66 66 THR N N 66 116.200 114.191 2.009 1
1 785 . 11 1 1 A 67 67 PHE H H 67 8.720 7.511 1.209 1
1 786 . 11 1 1 A 67 67 PHE HA H 67 4.130 4.160 -0.030 1
1 793 . 11 1 1 A 67 67 PHE C C 67 176.900 177.848 -0.948 1
1 794 . 11 1 1 A 67 67 PHE CA C 67 61.500 60.995 0.505 1
1 795 . 11 1 1 A 67 67 PHE CB C 67 39.800 39.221 0.579 1
1 800 . 11 1 1 A 67 67 PHE N N 67 122.400 123.540 -1.140 1
1 801 . 11 1 1 A 68 68 ARG H H 68 7.750 7.767 -0.017 1
1 802 . 11 1 1 A 68 68 ARG HA H 68 3.790 4.178 -0.388 1
1 809 . 11 1 1 A 68 68 ARG C C 68 176.800 179.118 -2.318 1
1 810 . 11 1 1 A 68 68 ARG CA C 68 59.200 58.974 0.226 1
1 811 . 11 1 1 A 68 68 ARG CB C 68 30.200 30.105 0.095 1
1 814 . 11 1 1 A 68 68 ARG N N 68 114.400 117.868 -3.468 1
1 815 . 11 1 1 A 69 69 LYS H H 69 7.360 7.516 -0.156 1
1 816 . 11 1 1 A 69 69 LYS HA H 69 4.190 4.148 0.042 1
1 819 . 11 1 1 A 69 69 LYS C C 69 177.400 177.849 -0.449 1
1 820 . 11 1 1 A 69 69 LYS CA C 69 56.700 58.890 -2.190 1
1 821 . 11 1 1 A 69 69 LYS CB C 69 33.000 32.207 0.793 1
1 825 . 11 1 1 A 69 69 LYS N N 69 115.600 117.619 -2.019 1
1 826 . 11 1 1 A 70 70 LEU H H 70 7.440 7.914 -0.474 1
1 827 . 11 1 1 A 70 70 LEU HA H 70 4.350 4.319 0.031 1
1 830 . 11 1 1 A 70 70 LEU CA C 70 53.800 53.543 0.257 1
1 831 . 11 1 1 A 70 70 LEU CB C 70 41.000 40.818 0.182 1
1 832 . 11 1 1 A 70 70 LEU N N 70 121.400 120.451 0.949 1
1 833 . 11 1 1 A 71 71 PRO HA H 71 4.460 4.477 -0.017 1
1 840 . 11 1 1 A 71 71 PRO C C 71 177.500 176.636 0.864 1
1 841 . 11 1 1 A 71 71 PRO CA C 71 62.800 62.272 0.528 1
1 842 . 11 1 1 A 71 71 PRO CB C 71 32.600 33.278 -0.678 1
1 845 . 11 1 1 A 72 72 GLU H H 72 9.010 9.028 -0.018 1
1 846 . 11 1 1 A 72 72 GLU HA H 72 3.650 3.986 -0.336 1
1 851 . 11 1 1 A 72 72 GLU C C 72 177.600 178.008 -0.408 1
1 852 . 11 1 1 A 72 72 GLU CA C 72 60.500 59.554 0.946 1
1 853 . 11 1 1 A 72 72 GLU CB C 72 29.900 29.264 0.636 1
1 855 . 11 1 1 A 72 72 GLU N N 72 124.100 121.340 2.760 1
1 856 . 11 1 1 A 73 73 ASP H H 73 8.860 7.890 0.970 1
1 857 . 11 1 1 A 73 73 ASP HA H 73 4.290 4.433 -0.143 1
1 860 . 11 1 1 A 73 73 ASP C C 73 177.600 178.723 -1.123 1
1 861 . 11 1 1 A 73 73 ASP CA C 73 56.700 57.167 -0.467 1
1 862 . 11 1 1 A 73 73 ASP CB C 73 39.300 41.023 -1.723 1
1 863 . 11 1 1 A 73 73 ASP N N 73 116.200 119.168 -2.968 1
1 864 . 11 1 1 A 74 74 VAL H H 74 7.120 7.970 -0.850 1
1 865 . 11 1 1 A 74 74 VAL HA H 74 3.740 3.487 0.253 1
1 873 . 11 1 1 A 74 74 VAL C C 74 178.200 177.826 0.374 1
1 874 . 11 1 1 A 74 74 VAL CA C 74 65.000 66.660 -1.660 1
1 875 . 11 1 1 A 74 74 VAL CB C 74 32.100 31.376 0.724 1
1 878 . 11 1 1 A 74 74 VAL N N 74 120.400 120.137 0.263 1
1 879 . 11 1 1 A 75 75 ARG H H 75 7.700 7.958 -0.258 1
1 880 . 11 1 1 A 75 75 ARG HA H 75 3.790 3.869 -0.079 1
1 887 . 11 1 1 A 75 75 ARG C C 75 178.500 177.204 1.296 1
1 888 . 11 1 1 A 75 75 ARG CA C 75 59.600 59.345 0.255 1
1 889 . 11 1 1 A 75 75 ARG CB C 75 31.100 29.835 1.265 1
1 892 . 11 1 1 A 75 75 ARG N N 75 115.900 119.793 -3.893 1
1 893 . 11 1 1 A 76 76 SER H H 76 8.260 7.521 0.739 1
1 894 . 11 1 1 A 76 76 SER HA H 76 4.380 4.567 -0.187 1
1 897 . 11 1 1 A 76 76 SER C C 76 174.700 175.174 -0.474 1
1 898 . 11 1 1 A 76 76 SER CA C 76 60.500 59.642 0.858 1
1 899 . 11 1 1 A 76 76 SER CB C 76 63.500 64.234 -0.734 1
1 900 . 11 1 1 A 76 76 SER N N 76 111.800 114.420 -2.620 1
1 901 . 11 1 1 A 77 77 ASN H H 77 7.380 7.879 -0.499 1
1 902 . 11 1 1 A 77 77 ASN HA H 77 5.010 4.938 0.072 1
1 907 . 11 1 1 A 77 77 ASN C C 77 174.300 174.131 0.169 1
1 908 . 11 1 1 A 77 77 ASN CA C 77 52.600 52.862 -0.262 1
1 909 . 11 1 1 A 77 77 ASN CB C 77 39.800 38.655 1.145 1
1 910 . 11 1 1 A 77 77 ASN N N 77 118.000 117.375 0.625 1
1 912 . 11 1 1 A 78 78 VAL H H 78 7.300 7.612 -0.312 1
1 913 . 11 1 1 A 78 78 VAL HA H 78 3.850 4.494 -0.644 1
1 921 . 11 1 1 A 78 78 VAL C C 78 173.200 174.050 -0.850 1
1 922 . 11 1 1 A 78 78 VAL CA C 78 63.600 60.484 3.116 1
1 923 . 11 1 1 A 78 78 VAL CB C 78 32.100 33.440 -1.340 1
1 926 . 11 1 1 A 78 78 VAL N N 78 121.200 120.677 0.523 1
1 927 . 11 1 1 A 79 79 ASP H H 79 7.660 8.380 -0.720 1
1 928 . 11 1 1 A 79 79 ASP HA H 79 4.380 4.741 -0.361 1
1 931 . 11 1 1 A 79 79 ASP C C 79 173.700 176.232 -2.532 1
1 932 . 11 1 1 A 79 79 ASP CA C 79 51.500 52.228 -0.728 1
1 933 . 11 1 1 A 79 79 ASP CB C 79 41.800 43.734 -1.934 1
1 934 . 11 1 1 A 79 79 ASP N N 79 127.000 127.608 -0.608 1
1 935 . 11 1 1 A 80 80 ALA H H 80 8.110 8.585 -0.475 1
1 936 . 11 1 1 A 80 80 ALA HA H 80 2.420 3.716 -1.296 1
1 940 . 11 1 1 A 80 80 ALA C C 80 178.700 179.732 -1.032 1
1 941 . 11 1 1 A 80 80 ALA CA C 80 55.600 55.156 0.444 1
1 942 . 11 1 1 A 80 80 ALA CB C 80 18.600 18.311 0.289 1
1 943 . 11 1 1 A 80 80 ALA N N 80 119.900 122.196 -2.296 1
1 944 . 11 1 1 A 81 81 ALA H H 81 7.760 8.167 -0.407 1
1 945 . 11 1 1 A 81 81 ALA HA H 81 4.030 3.939 0.091 1
1 949 . 11 1 1 A 81 81 ALA C C 81 180.700 179.814 0.886 1
1 950 . 11 1 1 A 81 81 ALA CA C 81 54.800 55.265 -0.465 1
1 951 . 11 1 1 A 81 81 ALA CB C 81 18.300 18.687 -0.387 1
1 952 . 11 1 1 A 81 81 ALA N N 81 118.500 120.389 -1.889 1
1 953 . 11 1 1 A 82 82 SER H H 82 8.480 8.243 0.237 1
1 954 . 11 1 1 A 82 82 SER HA H 82 4.240 4.078 0.162 1
1 957 . 11 1 1 A 82 82 SER C C 82 177.200 176.277 0.923 1
1 958 . 11 1 1 A 82 82 SER CA C 82 60.300 61.832 -1.532 1
1 959 . 11 1 1 A 82 82 SER CB C 82 62.700 62.556 0.144 1
1 960 . 11 1 1 A 82 82 SER N N 82 115.300 112.917 2.383 1
1 961 . 11 1 1 A 83 83 ALA H H 83 8.970 8.020 0.950 1
1 962 . 11 1 1 A 83 83 ALA HA H 83 3.820 3.941 -0.121 1
1 966 . 11 1 1 A 83 83 ALA C C 83 178.600 180.177 -1.577 1
1 967 . 11 1 1 A 83 83 ALA CA C 83 55.600 55.288 0.312 1
1 968 . 11 1 1 A 83 83 ALA CB C 83 19.400 18.045 1.355 1
1 969 . 11 1 1 A 83 83 ALA N N 83 124.700 123.038 1.662 1
1 970 . 11 1 1 A 84 84 ARG H H 84 7.250 8.268 -1.018 1
1 971 . 11 1 1 A 84 84 ARG HA H 84 3.740 4.135 -0.395 1
1 978 . 11 1 1 A 84 84 ARG C C 84 176.600 179.094 -2.494 1
1 979 . 11 1 1 A 84 84 ARG CA C 84 60.100 59.936 0.164 1
1 980 . 11 1 1 A 84 84 ARG CB C 84 29.900 30.010 -0.110 1
1 983 . 11 1 1 A 84 84 ARG N N 84 116.500 117.575 -1.075 1
1 984 . 11 1 1 A 85 85 GLU H H 85 7.240 8.132 -0.892 1
1 985 . 11 1 1 A 85 85 GLU HA H 85 3.890 4.041 -0.151 1
1 990 . 11 1 1 A 85 85 GLU C C 85 179.800 179.284 0.516 1
1 991 . 11 1 1 A 85 85 GLU CA C 85 59.200 58.782 0.418 1
1 992 . 11 1 1 A 85 85 GLU CB C 85 29.300 29.533 -0.233 1
1 994 . 11 1 1 A 85 85 GLU N N 85 115.600 120.299 -4.699 1
1 995 . 11 1 1 A 86 86 LEU H H 86 8.620 8.445 0.175 1
1 996 . 11 1 1 A 86 86 LEU HA H 86 4.030 3.952 0.078 1
1 1006 . 11 1 1 A 86 86 LEU C C 86 178.600 178.997 -0.397 1
1 1007 . 11 1 1 A 86 86 LEU CA C 86 58.100 57.750 0.350 1
1 1008 . 11 1 1 A 86 86 LEU CB C 86 42.200 41.824 0.376 1
1 1012 . 11 1 1 A 86 86 LEU N N 86 120.800 121.006 -0.206 1
1 1013 . 11 1 1 A 87 87 MET H H 87 7.840 8.251 -0.411 1
1 1014 . 11 1 1 A 87 87 MET HA H 87 3.680 4.144 -0.464 1
1 1022 . 11 1 1 A 87 87 MET C C 87 175.600 178.447 -2.847 1
1 1023 . 11 1 1 A 87 87 MET CA C 87 60.000 58.888 1.112 1
1 1024 . 11 1 1 A 87 87 MET CB C 87 34.300 32.171 2.129 1
1 1027 . 11 1 1 A 87 87 MET N N 87 116.700 116.475 0.225 1
1 1028 . 11 1 1 A 88 88 LEU H H 88 7.490 8.231 -0.741 1
1 1029 . 11 1 1 A 88 88 LEU HA H 88 3.890 4.072 -0.182 1
1 1039 . 11 1 1 A 88 88 LEU C C 88 179.200 178.396 0.804 1
1 1040 . 11 1 1 A 88 88 LEU CA C 88 57.000 58.372 -1.372 1
1 1041 . 11 1 1 A 88 88 LEU CB C 88 41.800 41.767 0.033 1
1 1045 . 11 1 1 A 88 88 LEU N N 88 113.400 121.934 -8.534 1
1 1046 . 11 1 1 A 89 89 ALA H H 89 7.690 7.887 -0.197 1
1 1047 . 11 1 1 A 89 89 ALA HA H 89 4.210 4.264 -0.054 1
1 1051 . 11 1 1 A 89 89 ALA C C 89 179.100 177.867 1.233 1
1 1052 . 11 1 1 A 89 89 ALA CA C 89 54.100 54.802 -0.702 1
1 1053 . 11 1 1 A 89 89 ALA CB C 89 19.200 19.112 0.088 1
1 1054 . 11 1 1 A 89 89 ALA N N 89 119.100 120.037 -0.937 1
1 1055 . 11 1 1 A 90 90 GLN H H 90 8.100 8.268 -0.168 1
1 1062 . 11 1 1 A 90 90 GLN CA C 90 53.400 53.114 0.286 1
1 1063 . 11 1 1 A 90 90 GLN CB C 90 30.900 28.740 2.160 1
1 1064 . 11 1 1 A 90 90 GLN N N 90 115.100 115.028 0.072 1
1 1066 . 11 1 1 A 91 91 PRO HA H 91 4.530 4.413 0.117 1
1 1073 . 11 1 1 A 91 91 PRO C C 91 178.300 177.229 1.071 1
1 1074 . 11 1 1 A 91 91 PRO CA C 91 64.300 64.060 0.240 1
1 1075 . 11 1 1 A 91 91 PRO CB C 91 31.800 31.942 -0.142 1
1 1078 . 11 1 1 A 92 92 SER H H 92 8.510 8.121 0.389 1
1 1079 . 11 1 1 A 92 92 SER HA H 92 4.310 3.994 0.316 1
1 1082 . 11 1 1 A 92 92 SER C C 92 174.200 175.897 -1.697 1
1 1083 . 11 1 1 A 92 92 SER CA C 92 62.000 60.691 1.309 1
1 1084 . 11 1 1 A 92 92 SER CB C 92 62.500 62.406 0.094 1
1 1085 . 11 1 1 A 92 92 SER N N 92 115.000 114.267 0.733 1
1 1086 . 11 1 1 A 93 93 MET H H 93 8.790 7.509 1.281 1
1 1087 . 11 1 1 A 93 93 MET HA H 93 4.560 4.500 0.060 1
1 1092 . 11 1 1 A 93 93 MET C C 93 174.900 176.562 -1.662 1
1 1093 . 11 1 1 A 93 93 MET CA C 93 56.900 56.743 0.157 1
1 1094 . 11 1 1 A 93 93 MET CB C 93 35.000 33.191 1.809 1
1 1096 . 11 1 1 A 93 93 MET N N 93 118.400 118.601 -0.201 1
1 1097 . 11 1 1 A 94 94 VAL H H 94 7.540 7.681 -0.141 1
1 1098 . 11 1 1 A 94 94 VAL HA H 94 4.080 3.954 0.126 1
1 1106 . 11 1 1 A 94 94 VAL C C 94 178.000 175.991 2.009 1
1 1107 . 11 1 1 A 94 94 VAL CA C 94 63.100 63.093 0.007 1
1 1108 . 11 1 1 A 94 94 VAL CB C 94 31.700 31.776 -0.076 1
1 1111 . 11 1 1 A 94 94 VAL N N 94 121.000 121.161 -0.161 1
1 1112 . 11 1 1 A 95 95 LYS H H 95 9.550 8.768 0.782 1
1 1113 . 11 1 1 A 95 95 LYS HA H 95 3.940 4.080 -0.140 1
1 1116 . 11 1 1 A 95 95 LYS CA C 95 58.800 56.413 2.387 1
1 1117 . 11 1 1 A 95 95 LYS CB C 95 33.500 33.054 0.446 1
1 1121 . 11 1 1 A 95 95 LYS N N 95 131.200 125.322 5.878 1
1 1122 . 11 1 1 A 96 96 ARG H H 96 8.260 8.759 -0.499 1
1 1125 . 11 1 1 A 96 96 ARG CA C 96 52.700 54.654 -1.954 1
1 1126 . 11 1 1 A 96 96 ARG CB C 96 34.400 32.570 1.830 1
1 1127 . 11 1 1 A 96 96 ARG N N 96 117.100 117.838 -0.738 1
1 1134 . 11 1 1 A 97 97 PRO C C 97 176.600 175.203 1.397 1
1 1135 . 11 1 1 A 97 97 PRO CA C 97 62.400 62.414 -0.014 1
1 1136 . 11 1 1 A 97 97 PRO CB C 97 34.700 32.555 2.145 1
1 1139 . 11 1 1 A 98 98 VAL H H 98 7.540 8.222 -0.682 1
1 1140 . 11 1 1 A 98 98 VAL HA H 98 4.460 4.681 -0.221 1
1 1148 . 11 1 1 A 98 98 VAL C C 98 173.500 174.426 -0.926 1
1 1149 . 11 1 1 A 98 98 VAL CA C 98 64.000 60.663 3.337 1
1 1150 . 11 1 1 A 98 98 VAL CB C 98 33.600 33.659 -0.059 1
1 1153 . 11 1 1 A 98 98 VAL N N 98 117.800 121.367 -3.567 1
1 1154 . 11 1 1 A 99 99 LEU H H 99 9.030 9.084 -0.054 1
1 1155 . 11 1 1 A 99 99 LEU HA H 99 5.410 5.212 0.198 1
1 1165 . 11 1 1 A 99 99 LEU C C 99 173.800 174.953 -1.153 1
1 1166 . 11 1 1 A 99 99 LEU CA C 99 54.300 52.615 1.685 1
1 1167 . 11 1 1 A 99 99 LEU CB C 99 45.800 43.096 2.704 1
1 1171 . 11 1 1 A 99 99 LEU N N 99 131.400 127.354 4.046 1
1 1172 . 11 1 1 A 100 100 GLU H H 100 9.390 9.314 0.076 1
1 1173 . 11 1 1 A 100 100 GLU HA H 100 5.050 5.230 -0.180 1
1 1178 . 11 1 1 A 100 100 GLU C C 100 174.200 175.345 -1.145 1
1 1179 . 11 1 1 A 100 100 GLU CA C 100 55.300 54.977 0.323 1
1 1180 . 11 1 1 A 100 100 GLU CB C 100 35.600 31.825 3.775 1
1 1182 . 11 1 1 A 100 100 GLU N N 100 125.800 125.705 0.095 1
1 1183 . 11 1 1 A 101 101 ARG H H 101 7.610 9.082 -1.472 1
1 1184 . 11 1 1 A 101 101 ARG C C 101 175.900 175.606 0.294 1
1 1185 . 11 1 1 A 101 101 ARG CA C 101 56.700 54.506 2.194 1
1 1186 . 11 1 1 A 101 101 ARG CB C 101 32.500 32.422 0.078 1
1 1189 . 11 1 1 A 101 101 ARG N N 101 125.100 126.379 -1.279 1
1 1190 . 11 1 1 A 102 102 ASP H H 102 10.080 9.553 0.527 1
1 1191 . 11 1 1 A 102 102 ASP HA H 102 4.450 4.412 0.038 1
1 1194 . 11 1 1 A 102 102 ASP C C 102 175.700 176.244 -0.544 1
1 1195 . 11 1 1 A 102 102 ASP CA C 102 55.300 55.406 -0.106 1
1 1196 . 11 1 1 A 102 102 ASP CB C 102 40.500 39.554 0.946 1
1 1197 . 11 1 1 A 102 102 ASP N N 102 132.000 126.503 5.497 1
1 1198 . 11 1 1 A 103 103 GLY H H 103 8.870 8.293 0.577 1
1 1199 . 11 1 1 A 103 103 GLY HA2 H 103 4.120 3.961 0.159 1
1 1200 . 11 1 1 A 103 103 GLY HA3 H 103 3.830 3.970 -0.140 1
1 1201 . 11 1 1 A 103 103 GLY C C 103 174.000 174.411 -0.411 1
1 1202 . 11 1 1 A 103 103 GLY CA C 103 45.600 45.133 0.467 1
1 1203 . 11 1 1 A 103 103 GLY N N 103 102.900 104.770 -1.870 1
1 1204 . 11 1 1 A 104 104 LYS H H 104 8.130 7.620 0.510 1
1 1205 . 11 1 1 A 104 104 LYS HA H 104 4.650 4.344 0.306 1
1 1208 . 11 1 1 A 104 104 LYS C C 104 176.500 175.858 0.642 1
1 1209 . 11 1 1 A 104 104 LYS CA C 104 55.500 56.921 -1.421 1
1 1210 . 11 1 1 A 104 104 LYS CB C 104 32.600 33.497 -0.897 1
1 1214 . 11 1 1 A 104 104 LYS N N 104 122.400 121.168 1.232 1
1 1215 . 11 1 1 A 105 105 LEU H H 105 8.920 8.875 0.045 1
1 1216 . 11 1 1 A 105 105 LEU HA H 105 5.420 5.111 0.309 1
1 1226 . 11 1 1 A 105 105 LEU C C 105 177.200 174.763 2.437 1
1 1227 . 11 1 1 A 105 105 LEU CA C 105 54.300 53.844 0.456 1
1 1228 . 11 1 1 A 105 105 LEU CB C 105 45.400 44.087 1.313 1
1 1232 . 11 1 1 A 105 105 LEU N N 105 129.200 126.766 2.434 1
1 1233 . 11 1 1 A 106 106 MET H H 106 8.860 9.038 -0.178 1
1 1234 . 11 1 1 A 106 106 MET HA H 106 4.580 5.231 -0.651 1
1 1239 . 11 1 1 A 106 106 MET C C 106 174.500 174.841 -0.341 1
1 1240 . 11 1 1 A 106 106 MET CA C 106 55.300 54.147 1.153 1
1 1241 . 11 1 1 A 106 106 MET CB C 106 36.500 36.246 0.254 1
1 1243 . 11 1 1 A 106 106 MET N N 106 121.500 125.262 -3.762 1
1 1244 . 11 1 1 A 107 107 VAL H H 107 9.180 8.505 0.675 1
1 1245 . 11 1 1 A 107 107 VAL HA H 107 4.690 4.371 0.319 1
1 1253 . 11 1 1 A 107 107 VAL C C 107 176.200 175.896 0.304 1
1 1254 . 11 1 1 A 107 107 VAL CA C 107 61.400 61.062 0.338 1
1 1255 . 11 1 1 A 107 107 VAL CB C 107 33.400 32.858 0.542 1
1 1258 . 11 1 1 A 107 107 VAL N N 107 129.500 118.073 11.427 1
1 1259 . 11 1 1 A 108 108 GLY H H 108 8.730 8.335 0.395 1
1 1260 . 11 1 1 A 108 108 GLY HA2 H 108 4.430 3.730 0.700 1
1 1261 . 11 1 1 A 108 108 GLY HA3 H 108 3.850 3.793 0.057 1
1 1262 . 11 1 1 A 108 108 GLY CA C 108 43.800 44.764 -0.964 1
1 1263 . 11 1 1 A 108 108 GLY N N 108 113.600 110.271 3.329 1
1 1271 . 11 1 1 A 109 109 PHE C C 109 172.700 175.297 -2.597 1
1 1272 . 11 1 1 A 109 109 PHE CA C 109 58.900 56.515 2.385 1
1 1273 . 11 1 1 A 109 109 PHE CB C 109 42.100 43.327 -1.227 1
1 1279 . 11 1 1 A 110 110 LYS H H 110 6.510 8.516 -2.006 1
1 1282 . 11 1 1 A 110 110 LYS CA C 110 53.500 55.200 -1.700 1
1 1283 . 11 1 1 A 110 110 LYS CB C 110 34.800 32.144 2.656 1
1 1284 . 11 1 1 A 110 110 LYS N N 110 126.600 121.560 5.040 1
1 1285 . 11 1 1 A 111 111 PRO HA H 111 3.360 4.265 -0.905 1
1 1292 . 11 1 1 A 111 111 PRO C C 111 177.100 178.737 -1.637 1
1 1293 . 11 1 1 A 111 111 PRO CA C 111 66.600 65.810 0.790 1
1 1294 . 11 1 1 A 111 111 PRO CB C 111 31.700 31.840 -0.140 1
1 1297 . 11 1 1 A 112 112 ALA H H 112 8.450 8.360 0.090 1
1 1298 . 11 1 1 A 112 112 ALA HA H 112 4.140 4.106 0.034 1
1 1302 . 11 1 1 A 112 112 ALA C C 112 180.300 180.675 -0.375 1
1 1303 . 11 1 1 A 112 112 ALA CA C 112 54.900 55.495 -0.595 1
1 1304 . 11 1 1 A 112 112 ALA CB C 112 18.800 18.758 0.042 1
1 1305 . 11 1 1 A 112 112 ALA N N 112 116.200 118.650 -2.450 1
1 1306 . 11 1 1 A 113 113 GLN H H 113 6.880 7.871 -0.991 1
1 1307 . 11 1 1 A 113 113 GLN HA H 113 4.130 4.047 0.083 1
1 1314 . 11 1 1 A 113 113 GLN C C 113 178.400 178.233 0.167 1
1 1315 . 11 1 1 A 113 113 GLN CA C 113 60.100 59.123 0.977 1
1 1316 . 11 1 1 A 113 113 GLN CB C 113 29.100 28.636 0.464 1
1 1318 . 11 1 1 A 113 113 GLN N N 113 118.200 117.622 0.578 1
1 1320 . 11 1 1 A 114 114 TYR H H 114 7.600 8.267 -0.667 1
1 1321 . 11 1 1 A 114 114 TYR HA H 114 3.800 4.199 -0.399 1
1 1328 . 11 1 1 A 114 114 TYR C C 114 177.100 178.202 -1.102 1
1 1329 . 11 1 1 A 114 114 TYR CA C 114 61.700 61.535 0.165 1
1 1330 . 11 1 1 A 114 114 TYR CB C 114 33.200 38.736 -5.536 1
1 1335 . 11 1 1 A 114 114 TYR N N 114 124.900 121.005 3.895 1
1 1336 . 11 1 1 A 115 115 GLU H H 115 8.610 8.599 0.011 1
1 1337 . 11 1 1 A 115 115 GLU HA H 115 4.160 4.322 -0.162 1
1 1342 . 11 1 1 A 115 115 GLU C C 115 178.800 179.456 -0.656 1
1 1343 . 11 1 1 A 115 115 GLU CA C 115 60.100 59.751 0.349 1
1 1344 . 11 1 1 A 115 115 GLU CB C 115 30.000 30.023 -0.023 1
1 1346 . 11 1 1 A 115 115 GLU N N 115 119.300 118.666 0.634 1
1 1347 . 11 1 1 A 116 116 ALA H H 116 7.390 8.046 -0.656 1
1 1348 . 11 1 1 A 116 116 ALA HA H 116 4.210 4.181 0.029 1
1 1352 . 11 1 1 A 116 116 ALA C C 116 179.700 179.513 0.187 1
1 1353 . 11 1 1 A 116 116 ALA CA C 116 54.600 54.944 -0.344 1
1 1354 . 11 1 1 A 116 116 ALA CB C 116 18.200 18.036 0.164 1
1 1355 . 11 1 1 A 116 116 ALA N N 116 118.200 122.415 -4.215 1
1 1356 . 11 1 1 A 117 117 TYR H H 117 7.780 8.204 -0.424 1
1 1357 . 11 1 1 A 117 117 TYR HA H 117 3.890 4.170 -0.280 1
1 1364 . 11 1 1 A 117 117 TYR C C 117 177.300 177.640 -0.340 1
1 1365 . 11 1 1 A 117 117 TYR CA C 117 61.100 61.535 -0.435 1
1 1366 . 11 1 1 A 117 117 TYR CB C 117 39.200 38.334 0.866 1
1 1371 . 11 1 1 A 117 117 TYR N N 117 120.200 119.817 0.383 1
1 1372 . 11 1 1 A 118 118 PHE H H 118 7.960 8.055 -0.095 1
1 1379 . 11 1 1 A 118 118 PHE C C 118 174.900 176.404 -1.504 1
1 1380 . 11 1 1 A 118 118 PHE CA C 118 57.850 61.103 -3.253 1
1 1381 . 11 1 1 A 118 118 PHE CB C 118 39.100 39.308 -0.208 1
1 1386 . 11 1 1 A 118 118 PHE N N 118 113.100 120.621 -7.521 1
1 1387 . 11 1 1 A 119 119 LYS H H 119 7.670 7.353 0.317 1
1 1388 . 11 1 1 A 119 119 LYS HA H 119 4.210 4.454 -0.244 1
1 1397 . 11 1 1 A 119 119 LYS CA C 119 57.300 56.568 0.732 1
1 1398 . 11 1 1 A 119 119 LYS CB C 119 31.200 33.207 -2.007 1
1 1402 . 11 1 1 A 119 119 LYS N N 119 120.200 118.963 1.237 1
1 1 . 12 1 1 A 2 2 PRO HA H 2 4.500 4.756 -0.256 1
1 8 . 12 1 1 A 2 2 PRO C C 2 177.500 176.122 1.378 1
1 9 . 12 1 1 A 2 2 PRO CA C 2 63.500 62.737 0.763 1
1 10 . 12 1 1 A 2 2 PRO CB C 2 32.200 32.564 -0.364 1
1 13 . 12 1 1 A 3 3 GLY H H 3 8.113 8.444 -0.331 1
1 14 . 12 1 1 A 3 3 GLY HA2 H 3 4.060 4.245 -0.185 1
1 15 . 12 1 1 A 3 3 GLY HA3 H 3 4.030 4.287 -0.257 1
1 16 . 12 1 1 A 3 3 GLY CA C 3 45.300 45.333 -0.033 1
1 17 . 12 1 1 A 3 3 GLY N N 3 110.500 109.198 1.302 1
1 18 . 12 1 1 A 4 4 SER H H 4 8.280 8.865 -0.585 1
1 19 . 12 1 1 A 4 4 SER HA H 4 4.520 4.322 0.198 1
1 22 . 12 1 1 A 4 4 SER C C 4 178.100 175.170 2.930 1
1 23 . 12 1 1 A 4 4 SER CA C 4 58.600 62.159 -3.559 1
1 24 . 12 1 1 A 4 4 SER CB C 4 63.800 63.344 0.456 1
1 25 . 12 1 1 A 4 4 SER N N 4 115.900 119.526 -3.626 1
1 26 . 12 1 1 A 5 5 MET H H 5 8.680 7.896 0.784 1
1 27 . 12 1 1 A 5 5 MET HA H 5 4.700 4.583 0.117 1
1 32 . 12 1 1 A 5 5 MET C C 5 174.800 176.034 -1.234 1
1 33 . 12 1 1 A 5 5 MET CA C 5 54.900 55.704 -0.804 1
1 34 . 12 1 1 A 5 5 MET CB C 5 32.500 33.543 -1.043 1
1 36 . 12 1 1 A 5 5 MET N N 5 121.500 120.898 0.602 1
1 37 . 12 1 1 A 6 6 SER H H 6 8.220 8.567 -0.347 1
1 38 . 12 1 1 A 6 6 SER HA H 6 4.580 4.782 -0.202 1
1 41 . 12 1 1 A 6 6 SER C C 6 174.200 173.868 0.332 1
1 42 . 12 1 1 A 6 6 SER CA C 6 59.100 57.008 2.092 1
1 43 . 12 1 1 A 6 6 SER CB C 6 63.800 64.384 -0.584 1
1 44 . 12 1 1 A 6 6 SER N N 6 117.000 115.632 1.368 1
1 45 . 12 1 1 A 7 7 VAL H H 7 8.750 8.597 0.153 1
1 46 . 12 1 1 A 7 7 VAL HA H 7 4.840 4.843 -0.003 1
1 54 . 12 1 1 A 7 7 VAL C C 7 175.800 174.399 1.401 1
1 55 . 12 1 1 A 7 7 VAL CA C 7 61.800 60.001 1.799 1
1 56 . 12 1 1 A 7 7 VAL CB C 7 33.800 34.927 -1.127 1
1 59 . 12 1 1 A 7 7 VAL N N 7 124.100 121.949 2.151 1
1 60 . 12 1 1 A 8 8 THR H H 8 8.880 8.616 0.264 1
1 61 . 12 1 1 A 8 8 THR HA H 8 5.360 4.847 0.513 1
1 66 . 12 1 1 A 8 8 THR C C 8 172.500 172.941 -0.441 1
1 67 . 12 1 1 A 8 8 THR CA C 8 61.700 61.892 -0.192 1
1 68 . 12 1 1 A 8 8 THR CB C 8 70.600 70.114 0.486 1
1 70 . 12 1 1 A 8 8 THR N N 8 124.500 122.573 1.927 1
1 71 . 12 1 1 A 9 9 ILE H H 9 9.170 9.344 -0.174 1
1 72 . 12 1 1 A 9 9 ILE HA H 9 5.610 5.614 -0.004 1
1 82 . 12 1 1 A 9 9 ILE C C 9 172.500 173.207 -0.707 1
1 83 . 12 1 1 A 9 9 ILE CA C 9 58.300 58.533 -0.233 1
1 84 . 12 1 1 A 9 9 ILE CB C 9 42.400 41.493 0.907 1
1 88 . 12 1 1 A 9 9 ILE N N 9 123.900 128.219 -4.319 1
1 89 . 12 1 1 A 10 10 TYR H H 10 9.740 9.438 0.302 1
1 90 . 12 1 1 A 10 10 TYR HA H 10 5.410 5.610 -0.200 1
1 95 . 12 1 1 A 10 10 TYR C C 10 177.500 176.016 1.484 1
1 96 . 12 1 1 A 10 10 TYR CA C 10 56.500 55.520 0.980 1
1 97 . 12 1 1 A 10 10 TYR CB C 10 40.300 41.064 -0.764 1
1 100 . 12 1 1 A 10 10 TYR N N 10 125.300 127.652 -2.352 1
1 101 . 12 1 1 A 11 11 GLY H H 11 7.880 8.262 -0.382 1
1 102 . 12 1 1 A 11 11 GLY HA2 H 11 4.700 4.428 0.272 1
1 103 . 12 1 1 A 11 11 GLY HA3 H 11 4.700 4.450 0.250 1
1 104 . 12 1 1 A 11 11 GLY C C 11 170.000 172.266 -2.266 1
1 105 . 12 1 1 A 11 11 GLY CA C 11 46.700 46.292 0.408 1
1 106 . 12 1 1 A 11 11 GLY N N 11 108.600 109.307 -0.707 1
1 107 . 12 1 1 A 12 12 ILE H H 12 6.340 8.811 -2.471 1
1 108 . 12 1 1 A 12 12 ILE HA H 12 5.330 5.111 0.219 1
1 118 . 12 1 1 A 12 12 ILE C C 12 175.100 176.305 -1.205 1
1 119 . 12 1 1 A 12 12 ILE CA C 12 59.300 59.035 0.265 1
1 120 . 12 1 1 A 12 12 ILE CB C 12 41.000 41.963 -0.963 1
1 124 . 12 1 1 A 12 12 ILE N N 12 113.300 117.816 -4.516 1
1 125 . 12 1 1 A 13 13 LYS H H 13 9.450 9.007 0.443 1
1 126 . 12 1 1 A 13 13 LYS HA H 13 4.090 4.210 -0.120 1
1 129 . 12 1 1 A 13 13 LYS C C 13 177.800 177.516 0.284 1
1 130 . 12 1 1 A 13 13 LYS CA C 13 59.200 58.587 0.613 1
1 131 . 12 1 1 A 13 13 LYS CB C 13 33.600 32.552 1.048 1
1 133 . 12 1 1 A 13 13 LYS N N 13 120.900 122.844 -1.944 1
1 134 . 12 1 1 A 14 14 ASN H H 14 8.700 7.787 0.913 1
1 135 . 12 1 1 A 14 14 ASN HA H 14 4.690 4.944 -0.254 1
1 140 . 12 1 1 A 14 14 ASN C C 14 173.100 174.650 -1.550 1
1 141 . 12 1 1 A 14 14 ASN CA C 14 52.700 52.278 0.422 1
1 142 . 12 1 1 A 14 14 ASN CB C 14 36.300 38.489 -2.189 1
1 143 . 12 1 1 A 14 14 ASN N N 14 116.600 115.605 0.995 1
1 145 . 12 1 1 A 15 15 CYS H H 15 7.440 7.687 -0.247 1
1 146 . 12 1 1 A 15 15 CYS HA H 15 4.510 4.650 -0.140 1
1 149 . 12 1 1 A 15 15 CYS CA C 15 59.100 58.276 0.824 1
1 150 . 12 1 1 A 15 15 CYS CB C 15 30.800 30.164 0.636 1
1 151 . 12 1 1 A 15 15 CYS N N 15 124.400 120.947 3.453 1
1 152 . 12 1 1 A 16 16 ASP HA H 16 4.460 4.327 0.133 1
1 155 . 12 1 1 A 16 16 ASP C C 16 178.000 178.170 -0.170 1
1 156 . 12 1 1 A 16 16 ASP CA C 16 57.500 57.053 0.447 1
1 157 . 12 1 1 A 16 16 ASP CB C 16 41.400 39.746 1.654 1
1 158 . 12 1 1 A 17 17 THR H H 17 9.210 8.048 1.162 1
1 159 . 12 1 1 A 17 17 THR HA H 17 4.000 3.835 0.165 1
1 164 . 12 1 1 A 17 17 THR C C 17 176.000 175.791 0.209 1
1 165 . 12 1 1 A 17 17 THR CA C 17 67.400 67.309 0.091 1
1 166 . 12 1 1 A 17 17 THR CB C 17 68.200 68.383 -0.183 1
1 168 . 12 1 1 A 17 17 THR N N 17 122.200 116.810 5.390 1
1 169 . 12 1 1 A 18 18 MET H H 18 8.940 8.098 0.842 1
1 170 . 12 1 1 A 18 18 MET HA H 18 3.990 3.998 -0.008 1
1 176 . 12 1 1 A 18 18 MET C C 18 178.300 177.942 0.358 1
1 177 . 12 1 1 A 18 18 MET CA C 18 56.000 58.682 -2.682 1
1 178 . 12 1 1 A 18 18 MET CB C 18 31.400 31.710 -0.310 1
1 181 . 12 1 1 A 18 18 MET N N 18 125.300 119.133 6.167 1
1 182 . 12 1 1 A 19 19 LYS H H 19 8.080 8.077 0.003 1
1 183 . 12 1 1 A 19 19 LYS HA H 19 3.800 3.832 -0.032 1
1 186 . 12 1 1 A 19 19 LYS CA C 19 60.000 59.622 0.378 1
1 187 . 12 1 1 A 19 19 LYS CB C 19 32.500 32.621 -0.121 1
1 191 . 12 1 1 A 19 19 LYS N N 19 117.900 119.489 -1.589 1
1 192 . 12 1 1 A 20 20 LYS H H 20 7.510 7.867 -0.357 1
1 193 . 12 1 1 A 20 20 LYS HA H 20 3.790 4.011 -0.221 1
1 198 . 12 1 1 A 20 20 LYS C C 20 178.500 178.914 -0.414 1
1 199 . 12 1 1 A 20 20 LYS CA C 20 59.500 59.825 -0.325 1
1 200 . 12 1 1 A 20 20 LYS CB C 20 32.800 32.407 0.393 1
1 204 . 12 1 1 A 20 20 LYS N N 20 117.500 118.415 -0.915 1
1 205 . 12 1 1 A 21 21 ALA H H 21 7.730 8.212 -0.482 1
1 206 . 12 1 1 A 21 21 ALA HA H 21 2.540 4.049 -1.509 1
1 210 . 12 1 1 A 21 21 ALA C C 21 178.700 179.936 -1.236 1
1 211 . 12 1 1 A 21 21 ALA CA C 21 54.400 55.350 -0.950 1
1 212 . 12 1 1 A 21 21 ALA CB C 21 19.000 18.194 0.806 1
1 213 . 12 1 1 A 21 21 ALA N N 21 123.600 122.040 1.560 1
1 214 . 12 1 1 A 22 22 ARG H H 22 8.110 8.117 -0.007 1
1 215 . 12 1 1 A 22 22 ARG HA H 22 3.490 3.961 -0.471 1
1 222 . 12 1 1 A 22 22 ARG C C 22 178.200 178.799 -0.599 1
1 223 . 12 1 1 A 22 22 ARG CA C 22 60.500 59.308 1.192 1
1 224 . 12 1 1 A 22 22 ARG CB C 22 30.700 29.697 1.003 1
1 227 . 12 1 1 A 22 22 ARG N N 22 116.100 117.531 -1.431 1
1 228 . 12 1 1 A 23 23 ILE H H 23 7.860 8.371 -0.511 1
1 229 . 12 1 1 A 23 23 ILE HA H 23 3.710 3.738 -0.028 1
1 239 . 12 1 1 A 23 23 ILE C C 23 177.200 178.353 -1.153 1
1 240 . 12 1 1 A 23 23 ILE CA C 23 65.000 64.668 0.332 1
1 241 . 12 1 1 A 23 23 ILE CB C 23 38.000 37.252 0.748 1
1 245 . 12 1 1 A 23 23 ILE N N 23 119.400 118.779 0.621 1
1 246 . 12 1 1 A 24 24 TRP H H 24 7.880 8.212 -0.332 1
1 247 . 12 1 1 A 24 24 TRP HA H 24 4.270 4.365 -0.095 1
1 256 . 12 1 1 A 24 24 TRP C C 24 176.100 178.370 -2.270 1
1 257 . 12 1 1 A 24 24 TRP CA C 24 63.100 61.274 1.826 1
1 258 . 12 1 1 A 24 24 TRP CB C 24 30.200 29.698 0.502 1
1 264 . 12 1 1 A 24 24 TRP N N 24 121.000 122.472 -1.472 1
1 266 . 12 1 1 A 25 25 LEU H H 25 8.690 8.858 -0.168 1
1 267 . 12 1 1 A 25 25 LEU HA H 25 4.000 4.074 -0.074 1
1 277 . 12 1 1 A 25 25 LEU C C 25 178.600 179.468 -0.868 1
1 278 . 12 1 1 A 25 25 LEU CA C 25 59.700 58.111 1.589 1
1 279 . 12 1 1 A 25 25 LEU CB C 25 41.200 41.502 -0.302 1
1 283 . 12 1 1 A 25 25 LEU N N 25 121.800 119.694 2.106 1
1 284 . 12 1 1 A 26 26 GLU H H 26 8.580 8.524 0.056 1
1 285 . 12 1 1 A 26 26 GLU HA H 26 4.200 4.022 0.178 1
1 290 . 12 1 1 A 26 26 GLU C C 26 181.200 178.582 2.618 1
1 291 . 12 1 1 A 26 26 GLU CA C 26 59.500 59.439 0.061 1
1 292 . 12 1 1 A 26 26 GLU CB C 26 28.800 29.067 -0.267 1
1 294 . 12 1 1 A 26 26 GLU N N 26 120.600 118.003 2.597 1
1 295 . 12 1 1 A 27 27 ASP H H 27 9.360 8.023 1.337 1
1 296 . 12 1 1 A 27 27 ASP HA H 27 4.270 4.307 -0.037 1
1 299 . 12 1 1 A 27 27 ASP C C 27 177.400 178.560 -1.160 1
1 300 . 12 1 1 A 27 27 ASP CA C 27 56.400 57.066 -0.666 1
1 301 . 12 1 1 A 27 27 ASP CB C 27 40.000 41.280 -1.280 1
1 302 . 12 1 1 A 27 27 ASP N N 27 121.800 120.637 1.163 1
1 303 . 12 1 1 A 28 28 HIS H H 28 7.340 7.908 -0.568 1
1 304 . 12 1 1 A 28 28 HIS HA H 28 4.250 4.189 0.061 1
1 309 . 12 1 1 A 28 28 HIS C C 28 173.600 175.270 -1.670 1
1 310 . 12 1 1 A 28 28 HIS CA C 28 56.700 58.026 -1.326 1
1 311 . 12 1 1 A 28 28 HIS CB C 28 27.500 30.090 -2.590 1
1 314 . 12 1 1 A 28 28 HIS N N 28 113.400 118.960 -5.560 1
1 315 . 12 1 1 A 29 29 GLY H H 29 7.790 8.012 -0.222 1
1 316 . 12 1 1 A 29 29 GLY HA2 H 29 3.870 3.836 0.034 1
1 317 . 12 1 1 A 29 29 GLY HA3 H 29 3.870 3.851 0.019 1
1 318 . 12 1 1 A 29 29 GLY C C 29 174.200 174.242 -0.042 1
1 319 . 12 1 1 A 29 29 GLY CA C 29 46.900 45.728 1.172 1
1 320 . 12 1 1 A 29 29 GLY N N 29 109.400 106.918 2.482 1
1 321 . 12 1 1 A 30 30 ILE H H 30 8.120 7.941 0.179 1
1 322 . 12 1 1 A 30 30 ILE HA H 30 4.040 4.718 -0.678 1
1 332 . 12 1 1 A 30 30 ILE C C 30 175.500 174.779 0.721 1
1 333 . 12 1 1 A 30 30 ILE CA C 30 60.000 60.038 -0.038 1
1 334 . 12 1 1 A 30 30 ILE CB C 30 38.100 40.017 -1.917 1
1 338 . 12 1 1 A 30 30 ILE N N 30 121.800 120.934 0.866 1
1 339 . 12 1 1 A 31 31 ASP H H 31 8.430 8.862 -0.432 1
1 340 . 12 1 1 A 31 31 ASP HA H 31 4.650 5.414 -0.764 1
1 343 . 12 1 1 A 31 31 ASP C C 31 175.800 175.086 0.714 1
1 344 . 12 1 1 A 31 31 ASP CA C 31 54.600 53.270 1.330 1
1 345 . 12 1 1 A 31 31 ASP CB C 31 41.600 42.522 -0.922 1
1 346 . 12 1 1 A 31 31 ASP N N 31 128.500 124.630 3.870 1
1 347 . 12 1 1 A 32 32 TYR H H 32 7.920 9.212 -1.292 1
1 348 . 12 1 1 A 32 32 TYR HA H 32 5.500 5.206 0.294 1
1 355 . 12 1 1 A 32 32 TYR C C 32 173.800 175.700 -1.900 1
1 356 . 12 1 1 A 32 32 TYR CA C 32 56.100 56.429 -0.329 1
1 357 . 12 1 1 A 32 32 TYR CB C 32 41.700 41.754 -0.054 1
1 362 . 12 1 1 A 32 32 TYR N N 32 117.500 122.280 -4.780 1
1 363 . 12 1 1 A 33 33 THR H H 33 8.900 8.919 -0.019 1
1 364 . 12 1 1 A 33 33 THR HA H 33 4.470 4.564 -0.094 1
1 369 . 12 1 1 A 33 33 THR C C 33 172.900 173.811 -0.911 1
1 370 . 12 1 1 A 33 33 THR CA C 33 61.800 62.489 -0.689 1
1 371 . 12 1 1 A 33 33 THR CB C 33 70.800 69.110 1.690 1
1 373 . 12 1 1 A 33 33 THR N N 33 117.100 118.307 -1.207 1
1 374 . 12 1 1 A 34 34 PHE H H 34 9.280 9.030 0.250 1
1 375 . 12 1 1 A 34 34 PHE HA H 34 5.520 4.687 0.833 1
1 383 . 12 1 1 A 34 34 PHE CA C 34 53.900 57.859 -3.959 1
1 384 . 12 1 1 A 34 34 PHE CB C 34 39.900 39.370 0.530 1
1 390 . 12 1 1 A 34 34 PHE N N 34 128.200 128.503 -0.303 1
1 391 . 12 1 1 A 35 35 HIS H H 35 9.210 8.736 0.474 1
1 392 . 12 1 1 A 35 35 HIS HA H 35 4.240 4.833 -0.593 1
1 397 . 12 1 1 A 35 35 HIS CA C 35 54.900 53.923 0.977 1
1 398 . 12 1 1 A 35 35 HIS CB C 35 30.700 32.297 -1.597 1
1 401 . 12 1 1 A 35 35 HIS N N 35 133.900 128.138 5.762 1
1 402 . 12 1 1 A 36 36 ASP H H 36 7.930 8.317 -0.387 1
1 403 . 12 1 1 A 36 36 ASP HA H 36 4.470 4.776 -0.306 1
1 406 . 12 1 1 A 36 36 ASP C C 36 178.500 176.102 2.398 1
1 407 . 12 1 1 A 36 36 ASP CA C 36 50.900 53.624 -2.724 1
1 408 . 12 1 1 A 36 36 ASP CB C 36 42.200 41.789 0.411 1
1 409 . 12 1 1 A 36 36 ASP N N 36 127.000 126.203 0.797 1
1 410 . 12 1 1 A 37 37 TYR H H 37 9.290 8.858 0.432 1
1 417 . 12 1 1 A 37 37 TYR C C 37 178.700 178.392 0.308 1
1 418 . 12 1 1 A 37 37 TYR CA C 37 58.700 60.532 -1.832 1
1 419 . 12 1 1 A 37 37 TYR CB C 37 39.100 38.136 0.964 1
1 424 . 12 1 1 A 37 37 TYR N N 37 126.400 122.763 3.637 1
1 425 . 12 1 1 A 38 38 LYS H H 38 8.880 8.508 0.372 1
1 426 . 12 1 1 A 38 38 LYS HA H 38 4.300 4.070 0.230 1
1 429 . 12 1 1 A 38 38 LYS CA C 38 57.700 59.532 -1.832 1
1 430 . 12 1 1 A 38 38 LYS CB C 38 31.600 32.595 -0.995 1
1 434 . 12 1 1 A 38 38 LYS N N 38 115.800 122.086 -6.286 1
1 435 . 12 1 1 A 39 39 LYS H H 39 7.330 7.988 -0.658 1
1 436 . 12 1 1 A 39 39 LYS HA H 39 4.420 3.977 0.443 1
1 443 . 12 1 1 A 39 39 LYS CA C 39 57.500 59.752 -2.252 1
1 444 . 12 1 1 A 39 39 LYS CB C 39 34.600 32.284 2.316 1
1 448 . 12 1 1 A 39 39 LYS N N 39 118.800 119.299 -0.499 1
1 449 . 12 1 1 A 40 40 GLU H H 40 8.570 7.551 1.019 1
1 450 . 12 1 1 A 40 40 GLU HA H 40 4.280 4.255 0.025 1
1 455 . 12 1 1 A 40 40 GLU CA C 40 57.900 57.597 0.303 1
1 456 . 12 1 1 A 40 40 GLU CB C 40 29.300 30.399 -1.099 1
1 458 . 12 1 1 A 40 40 GLU N N 40 117.600 117.092 0.508 1
1 459 . 12 1 1 A 41 41 GLY H H 41 7.470 8.067 -0.597 1
1 460 . 12 1 1 A 41 41 GLY HA2 H 41 4.310 4.080 0.230 1
1 461 . 12 1 1 A 41 41 GLY HA3 H 41 4.170 4.094 0.076 1
1 462 . 12 1 1 A 41 41 GLY CA C 41 44.900 44.827 0.073 1
1 463 . 12 1 1 A 41 41 GLY N N 41 106.300 107.507 -1.207 1
1 464 . 12 1 1 A 42 42 LEU H H 42 8.290 8.511 -0.221 1
1 465 . 12 1 1 A 42 42 LEU HA H 42 4.950 4.817 0.133 1
1 475 . 12 1 1 A 42 42 LEU C C 42 173.800 174.978 -1.178 1
1 476 . 12 1 1 A 42 42 LEU CA C 42 54.500 54.629 -0.129 1
1 477 . 12 1 1 A 42 42 LEU CB C 42 43.400 42.613 0.787 1
1 481 . 12 1 1 A 42 42 LEU N N 42 121.000 124.330 -3.330 1
1 482 . 12 1 1 A 43 43 ASP H H 43 8.520 8.553 -0.033 1
1 483 . 12 1 1 A 43 43 ASP HA H 43 4.800 4.966 -0.166 1
1 486 . 12 1 1 A 43 43 ASP C C 43 175.400 176.958 -1.558 1
1 487 . 12 1 1 A 43 43 ASP CA C 43 51.600 52.195 -0.595 1
1 488 . 12 1 1 A 43 43 ASP CB C 43 42.200 43.582 -1.382 1
1 489 . 12 1 1 A 43 43 ASP N N 43 124.800 127.231 -2.431 1
1 490 . 12 1 1 A 44 44 ALA H H 44 8.640 8.746 -0.106 1
1 491 . 12 1 1 A 44 44 ALA HA H 44 3.780 4.054 -0.274 1
1 495 . 12 1 1 A 44 44 ALA C C 44 178.100 179.775 -1.675 1
1 496 . 12 1 1 A 44 44 ALA CA C 44 55.400 55.478 -0.078 1
1 497 . 12 1 1 A 44 44 ALA CB C 44 18.100 18.147 -0.047 1
1 498 . 12 1 1 A 44 44 ALA N N 44 122.400 125.641 -3.241 1
1 499 . 12 1 1 A 45 45 GLU H H 45 8.240 8.085 0.155 1
1 500 . 12 1 1 A 45 45 GLU HA H 45 3.920 4.021 -0.101 1
1 505 . 12 1 1 A 45 45 GLU C C 45 179.300 178.620 0.680 1
1 506 . 12 1 1 A 45 45 GLU CA C 45 59.800 59.354 0.446 1
1 507 . 12 1 1 A 45 45 GLU CB C 45 29.200 29.738 -0.538 1
1 509 . 12 1 1 A 45 45 GLU N N 45 115.600 119.699 -4.099 1
1 510 . 12 1 1 A 46 46 THR H H 46 7.910 8.086 -0.176 1
1 511 . 12 1 1 A 46 46 THR HA H 46 3.500 3.866 -0.366 1
1 516 . 12 1 1 A 46 46 THR C C 46 174.300 176.768 -2.468 1
1 517 . 12 1 1 A 46 46 THR CA C 46 66.600 65.724 0.876 1
1 518 . 12 1 1 A 46 46 THR CB C 46 67.700 68.505 -0.805 1
1 520 . 12 1 1 A 46 46 THR N N 46 117.700 114.346 3.354 1
1 521 . 12 1 1 A 47 47 LEU H H 47 7.710 8.323 -0.613 1
1 522 . 12 1 1 A 47 47 LEU HA H 47 3.510 4.055 -0.545 1
1 532 . 12 1 1 A 47 47 LEU C C 47 178.000 177.968 0.032 1
1 533 . 12 1 1 A 47 47 LEU CA C 47 57.900 58.486 -0.586 1
1 534 . 12 1 1 A 47 47 LEU CB C 47 41.500 41.327 0.173 1
1 538 . 12 1 1 A 47 47 LEU N N 47 120.400 123.965 -3.565 1
1 539 . 12 1 1 A 48 48 ASP H H 48 9.000 8.629 0.371 1
1 540 . 12 1 1 A 48 48 ASP HA H 48 4.490 4.256 0.234 1
1 543 . 12 1 1 A 48 48 ASP C C 48 179.100 177.732 1.368 1
1 544 . 12 1 1 A 48 48 ASP CA C 48 57.500 57.788 -0.288 1
1 545 . 12 1 1 A 48 48 ASP CB C 48 39.100 41.877 -2.777 1
1 546 . 12 1 1 A 48 48 ASP N N 48 116.800 118.634 -1.834 1
1 547 . 12 1 1 A 49 49 ARG H H 49 7.560 8.154 -0.594 1
1 548 . 12 1 1 A 49 49 ARG HA H 49 4.110 3.822 0.288 1
1 555 . 12 1 1 A 49 49 ARG C C 49 180.100 178.899 1.201 1
1 556 . 12 1 1 A 49 49 ARG CA C 49 60.300 58.993 1.307 1
1 557 . 12 1 1 A 49 49 ARG CB C 49 29.600 29.510 0.090 1
1 560 . 12 1 1 A 49 49 ARG N N 49 122.100 119.330 2.770 1
1 561 . 12 1 1 A 50 50 PHE H H 50 8.300 8.052 0.248 1
1 562 . 12 1 1 A 50 50 PHE HA H 50 4.550 4.438 0.112 1
1 569 . 12 1 1 A 50 50 PHE C C 50 178.400 178.172 0.228 1
1 570 . 12 1 1 A 50 50 PHE CA C 50 57.500 60.928 -3.428 1
1 571 . 12 1 1 A 50 50 PHE CB C 50 36.900 38.315 -1.415 1
1 576 . 12 1 1 A 50 50 PHE N N 50 122.100 118.857 3.243 1
1 577 . 12 1 1 A 51 51 LEU H H 51 8.460 8.411 0.049 1
1 587 . 12 1 1 A 51 51 LEU CA C 51 55.920 58.100 -2.180 1
1 588 . 12 1 1 A 51 51 LEU CB C 51 42.400 41.619 0.781 1
1 592 . 12 1 1 A 51 51 LEU N N 51 117.000 121.045 -4.045 1
1 593 . 12 1 1 A 52 52 LYS H H 52 7.660 8.068 -0.408 1
1 594 . 12 1 1 A 52 52 LYS HA H 52 4.180 3.991 0.189 1
1 603 . 12 1 1 A 52 52 LYS C C 52 178.300 179.619 -1.319 1
1 604 . 12 1 1 A 52 52 LYS CA C 52 58.700 59.283 -0.583 1
1 605 . 12 1 1 A 52 52 LYS CB C 52 32.700 32.237 0.463 1
1 609 . 12 1 1 A 52 52 LYS N N 52 119.100 118.872 0.228 1
1 610 . 12 1 1 A 53 53 THR H H 53 7.430 7.612 -0.182 1
1 611 . 12 1 1 A 53 53 THR HA H 53 4.570 4.210 0.360 1
1 616 . 12 1 1 A 53 53 THR C C 53 173.800 174.663 -0.863 1
1 617 . 12 1 1 A 53 53 THR CA C 53 62.600 64.392 -1.792 1
1 618 . 12 1 1 A 53 53 THR CB C 53 70.800 68.990 1.810 1
1 620 . 12 1 1 A 53 53 THR N N 53 107.400 111.484 -4.084 1
1 621 . 12 1 1 A 54 54 VAL H H 54 8.500 8.083 0.417 1
1 622 . 12 1 1 A 54 54 VAL HA H 54 4.540 4.590 -0.050 1
1 630 . 12 1 1 A 54 54 VAL C C 54 179.400 173.532 5.868 1
1 631 . 12 1 1 A 54 54 VAL CA C 54 59.100 58.923 0.177 1
1 632 . 12 1 1 A 54 54 VAL CB C 54 33.500 35.345 -1.845 1
1 635 . 12 1 1 A 54 54 VAL N N 54 125.200 120.843 4.357 1
1 636 . 12 1 1 A 55 55 PRO HA H 55 4.590 4.565 0.025 1
1 643 . 12 1 1 A 55 55 PRO C C 55 179.400 177.614 1.786 1
1 644 . 12 1 1 A 55 55 PRO CA C 55 62.100 62.697 -0.597 1
1 645 . 12 1 1 A 55 55 PRO CB C 55 32.900 32.282 0.618 1
1 648 . 12 1 1 A 56 56 TRP H H 56 8.690 8.669 0.021 1
1 649 . 12 1 1 A 56 56 TRP HA H 56 3.990 4.310 -0.320 1
1 657 . 12 1 1 A 56 56 TRP C C 56 177.500 177.898 -0.398 1
1 658 . 12 1 1 A 56 56 TRP CA C 56 61.000 60.140 0.860 1
1 659 . 12 1 1 A 56 56 TRP CB C 56 27.400 28.729 -1.329 1
1 664 . 12 1 1 A 56 56 TRP N N 56 122.500 125.320 -2.820 1
1 666 . 12 1 1 A 57 57 GLU H H 57 8.410 7.951 0.459 1
1 667 . 12 1 1 A 57 57 GLU HA H 57 3.270 3.910 -0.640 1
1 672 . 12 1 1 A 57 57 GLU C C 57 178.000 176.921 1.079 1
1 673 . 12 1 1 A 57 57 GLU CA C 57 60.200 58.257 1.943 1
1 674 . 12 1 1 A 57 57 GLU CB C 57 28.200 28.135 0.065 1
1 676 . 12 1 1 A 57 57 GLU N N 57 120.600 118.963 1.637 1
1 677 . 12 1 1 A 58 58 GLN H H 58 7.600 7.908 -0.308 1
1 678 . 12 1 1 A 58 58 GLN HA H 58 4.170 4.571 -0.401 1
1 683 . 12 1 1 A 58 58 GLN C C 58 175.500 175.730 -0.230 1
1 684 . 12 1 1 A 58 58 GLN CA C 58 56.000 54.921 1.079 1
1 685 . 12 1 1 A 58 58 GLN CB C 58 29.600 29.087 0.513 1
1 687 . 12 1 1 A 58 58 GLN N N 58 114.700 118.377 -3.677 1
1 688 . 12 1 1 A 59 59 LEU H H 59 7.440 7.765 -0.325 1
1 689 . 12 1 1 A 59 59 LEU HA H 59 4.220 4.547 -0.327 1
1 699 . 12 1 1 A 59 59 LEU C C 59 175.100 175.875 -0.775 1
1 700 . 12 1 1 A 59 59 LEU CA C 59 55.600 54.097 1.503 1
1 701 . 12 1 1 A 59 59 LEU CB C 59 44.700 43.663 1.037 1
1 705 . 12 1 1 A 59 59 LEU N N 59 119.500 121.674 -2.174 1
1 706 . 12 1 1 A 60 60 LEU H H 60 8.120 7.610 0.510 1
1 707 . 12 1 1 A 60 60 LEU HA H 60 4.410 4.900 -0.490 1
1 717 . 12 1 1 A 60 60 LEU C C 60 176.100 175.737 0.363 1
1 718 . 12 1 1 A 60 60 LEU CA C 60 55.400 53.396 2.004 1
1 719 . 12 1 1 A 60 60 LEU CB C 60 42.900 45.313 -2.413 1
1 723 . 12 1 1 A 60 60 LEU N N 60 119.300 116.982 2.318 1
1 724 . 12 1 1 A 61 61 ASN H H 61 9.120 8.451 0.669 1
1 729 . 12 1 1 A 61 61 ASN C C 61 175.600 174.946 0.654 1
1 730 . 12 1 1 A 61 61 ASN CA C 61 51.300 53.825 -2.525 1
1 731 . 12 1 1 A 61 61 ASN CB C 61 36.800 38.889 -2.089 1
1 732 . 12 1 1 A 61 61 ASN N N 61 124.900 118.524 6.376 1
1 734 . 12 1 1 A 62 62 ARG H H 62 8.140 8.962 -0.822 1
1 735 . 12 1 1 A 62 62 ARG HA H 62 3.450 4.738 -1.288 1
1 742 . 12 1 1 A 62 62 ARG C C 62 175.200 176.881 -1.681 1
1 743 . 12 1 1 A 62 62 ARG CA C 62 57.600 56.181 1.419 1
1 744 . 12 1 1 A 62 62 ARG CB C 62 30.200 32.856 -2.656 1
1 747 . 12 1 1 A 62 62 ARG N N 62 125.500 120.901 4.599 1
1 748 . 12 1 1 A 63 63 ALA H H 63 7.610 7.787 -0.177 1
1 749 . 12 1 1 A 63 63 ALA HA H 63 4.460 4.372 0.088 1
1 753 . 12 1 1 A 63 63 ALA C C 63 178.300 177.034 1.266 1
1 754 . 12 1 1 A 63 63 ALA CA C 63 51.800 51.701 0.099 1
1 755 . 12 1 1 A 63 63 ALA CB C 63 19.300 18.740 0.560 1
1 756 . 12 1 1 A 63 63 ALA N N 63 118.600 121.030 -2.430 1
1 757 . 12 1 1 A 64 64 GLY H H 64 7.150 8.384 -1.234 1
1 758 . 12 1 1 A 64 64 GLY HA2 H 64 4.410 4.278 0.132 1
1 759 . 12 1 1 A 64 64 GLY HA3 H 64 4.020 4.289 -0.269 1
1 760 . 12 1 1 A 64 64 GLY C C 64 173.500 175.317 -1.817 1
1 761 . 12 1 1 A 64 64 GLY CA C 64 45.400 43.665 1.735 1
1 762 . 12 1 1 A 64 64 GLY N N 64 105.700 107.629 -1.929 1
1 763 . 12 1 1 A 65 65 THR H H 65 8.340 8.850 -0.510 1
1 764 . 12 1 1 A 65 65 THR HA H 65 3.880 4.036 -0.156 1
1 769 . 12 1 1 A 65 65 THR C C 65 176.300 176.192 0.108 1
1 770 . 12 1 1 A 65 65 THR CA C 65 65.500 65.319 0.181 1
1 771 . 12 1 1 A 65 65 THR CB C 65 69.000 68.971 0.029 1
1 773 . 12 1 1 A 65 65 THR N N 65 113.400 114.573 -1.173 1
1 774 . 12 1 1 A 66 66 THR H H 66 7.940 8.221 -0.281 1
1 775 . 12 1 1 A 66 66 THR HA H 66 3.820 4.082 -0.262 1
1 780 . 12 1 1 A 66 66 THR C C 66 176.100 176.753 -0.653 1
1 781 . 12 1 1 A 66 66 THR CA C 66 67.000 65.576 1.424 1
1 782 . 12 1 1 A 66 66 THR CB C 66 68.000 67.876 0.124 1
1 784 . 12 1 1 A 66 66 THR N N 66 116.200 114.099 2.101 1
1 785 . 12 1 1 A 67 67 PHE H H 67 8.720 8.119 0.601 1
1 786 . 12 1 1 A 67 67 PHE HA H 67 4.130 4.018 0.112 1
1 793 . 12 1 1 A 67 67 PHE C C 67 176.900 177.301 -0.401 1
1 794 . 12 1 1 A 67 67 PHE CA C 67 61.500 61.172 0.328 1
1 795 . 12 1 1 A 67 67 PHE CB C 67 39.800 39.139 0.661 1
1 800 . 12 1 1 A 67 67 PHE N N 67 122.400 123.536 -1.136 1
1 801 . 12 1 1 A 68 68 ARG H H 68 7.750 7.797 -0.047 1
1 802 . 12 1 1 A 68 68 ARG HA H 68 3.790 4.417 -0.627 1
1 809 . 12 1 1 A 68 68 ARG C C 68 176.800 178.342 -1.542 1
1 810 . 12 1 1 A 68 68 ARG CA C 68 59.200 58.122 1.078 1
1 811 . 12 1 1 A 68 68 ARG CB C 68 30.200 30.016 0.184 1
1 814 . 12 1 1 A 68 68 ARG N N 68 114.400 117.740 -3.340 1
1 815 . 12 1 1 A 69 69 LYS H H 69 7.360 7.738 -0.378 1
1 816 . 12 1 1 A 69 69 LYS HA H 69 4.190 4.052 0.138 1
1 819 . 12 1 1 A 69 69 LYS C C 69 177.400 176.535 0.865 1
1 820 . 12 1 1 A 69 69 LYS CA C 69 56.700 59.365 -2.665 1
1 821 . 12 1 1 A 69 69 LYS CB C 69 33.000 32.290 0.710 1
1 825 . 12 1 1 A 69 69 LYS N N 69 115.600 119.736 -4.136 1
1 826 . 12 1 1 A 70 70 LEU H H 70 7.440 7.753 -0.313 1
1 827 . 12 1 1 A 70 70 LEU HA H 70 4.350 4.417 -0.067 1
1 830 . 12 1 1 A 70 70 LEU CA C 70 53.800 52.899 0.901 1
1 831 . 12 1 1 A 70 70 LEU CB C 70 41.000 40.759 0.241 1
1 832 . 12 1 1 A 70 70 LEU N N 70 121.400 119.698 1.702 1
1 833 . 12 1 1 A 71 71 PRO HA H 71 4.460 4.538 -0.078 1
1 840 . 12 1 1 A 71 71 PRO C C 71 177.500 176.600 0.900 1
1 841 . 12 1 1 A 71 71 PRO CA C 71 62.800 62.295 0.505 1
1 842 . 12 1 1 A 71 71 PRO CB C 71 32.600 33.381 -0.781 1
1 845 . 12 1 1 A 72 72 GLU H H 72 9.010 8.648 0.362 1
1 846 . 12 1 1 A 72 72 GLU HA H 72 3.650 4.045 -0.395 1
1 851 . 12 1 1 A 72 72 GLU C C 72 177.600 178.728 -1.128 1
1 852 . 12 1 1 A 72 72 GLU CA C 72 60.500 59.292 1.208 1
1 853 . 12 1 1 A 72 72 GLU CB C 72 29.900 29.172 0.728 1
1 855 . 12 1 1 A 72 72 GLU N N 72 124.100 120.693 3.407 1
1 856 . 12 1 1 A 73 73 ASP H H 73 8.860 7.873 0.987 1
1 857 . 12 1 1 A 73 73 ASP HA H 73 4.290 4.433 -0.143 1
1 860 . 12 1 1 A 73 73 ASP C C 73 177.600 178.676 -1.076 1
1 861 . 12 1 1 A 73 73 ASP CA C 73 56.700 57.075 -0.375 1
1 862 . 12 1 1 A 73 73 ASP CB C 73 39.300 40.978 -1.678 1
1 863 . 12 1 1 A 73 73 ASP N N 73 116.200 120.197 -3.997 1
1 864 . 12 1 1 A 74 74 VAL H H 74 7.120 8.182 -1.062 1
1 865 . 12 1 1 A 74 74 VAL HA H 74 3.740 3.424 0.316 1
1 873 . 12 1 1 A 74 74 VAL C C 74 178.200 177.640 0.560 1
1 874 . 12 1 1 A 74 74 VAL CA C 74 65.000 67.119 -2.119 1
1 875 . 12 1 1 A 74 74 VAL CB C 74 32.100 31.339 0.761 1
1 878 . 12 1 1 A 74 74 VAL N N 74 120.400 120.201 0.199 1
1 879 . 12 1 1 A 75 75 ARG H H 75 7.700 7.918 -0.218 1
1 880 . 12 1 1 A 75 75 ARG HA H 75 3.790 3.977 -0.187 1
1 887 . 12 1 1 A 75 75 ARG C C 75 178.500 178.263 0.237 1
1 888 . 12 1 1 A 75 75 ARG CA C 75 59.600 58.812 0.788 1
1 889 . 12 1 1 A 75 75 ARG CB C 75 31.100 29.705 1.395 1
1 892 . 12 1 1 A 75 75 ARG N N 75 115.900 119.794 -3.894 1
1 893 . 12 1 1 A 76 76 SER H H 76 8.260 7.547 0.713 1
1 894 . 12 1 1 A 76 76 SER HA H 76 4.380 4.243 0.137 1
1 897 . 12 1 1 A 76 76 SER C C 76 174.700 175.706 -1.006 1
1 898 . 12 1 1 A 76 76 SER CA C 76 60.500 60.945 -0.445 1
1 899 . 12 1 1 A 76 76 SER CB C 76 63.500 63.184 0.316 1
1 900 . 12 1 1 A 76 76 SER N N 76 111.800 115.581 -3.781 1
1 901 . 12 1 1 A 77 77 ASN H H 77 7.380 7.610 -0.230 1
1 902 . 12 1 1 A 77 77 ASN HA H 77 5.010 4.869 0.141 1
1 907 . 12 1 1 A 77 77 ASN C C 77 174.300 174.986 -0.686 1
1 908 . 12 1 1 A 77 77 ASN CA C 77 52.600 53.017 -0.417 1
1 909 . 12 1 1 A 77 77 ASN CB C 77 39.800 38.593 1.207 1
1 910 . 12 1 1 A 77 77 ASN N N 77 118.000 117.152 0.848 1
1 912 . 12 1 1 A 78 78 VAL H H 78 7.300 7.317 -0.017 1
1 913 . 12 1 1 A 78 78 VAL HA H 78 3.850 3.894 -0.044 1
1 921 . 12 1 1 A 78 78 VAL C C 78 173.200 174.605 -1.405 1
1 922 . 12 1 1 A 78 78 VAL CA C 78 63.600 62.601 0.999 1
1 923 . 12 1 1 A 78 78 VAL CB C 78 32.100 32.152 -0.052 1
1 926 . 12 1 1 A 78 78 VAL N N 78 121.200 121.165 0.035 1
1 927 . 12 1 1 A 79 79 ASP H H 79 7.660 8.230 -0.570 1
1 928 . 12 1 1 A 79 79 ASP HA H 79 4.380 5.106 -0.726 1
1 931 . 12 1 1 A 79 79 ASP C C 79 173.700 175.803 -2.103 1
1 932 . 12 1 1 A 79 79 ASP CA C 79 51.500 52.009 -0.509 1
1 933 . 12 1 1 A 79 79 ASP CB C 79 41.800 43.975 -2.175 1
1 934 . 12 1 1 A 79 79 ASP N N 79 127.000 128.792 -1.792 1
1 935 . 12 1 1 A 80 80 ALA H H 80 8.110 8.738 -0.628 1
1 936 . 12 1 1 A 80 80 ALA HA H 80 2.420 4.161 -1.741 1
1 940 . 12 1 1 A 80 80 ALA C C 80 178.700 179.710 -1.010 1
1 941 . 12 1 1 A 80 80 ALA CA C 80 55.600 55.478 0.122 1
1 942 . 12 1 1 A 80 80 ALA CB C 80 18.600 18.522 0.078 1
1 943 . 12 1 1 A 80 80 ALA N N 80 119.900 121.632 -1.732 1
1 944 . 12 1 1 A 81 81 ALA H H 81 7.760 8.210 -0.450 1
1 945 . 12 1 1 A 81 81 ALA HA H 81 4.030 3.963 0.067 1
1 949 . 12 1 1 A 81 81 ALA C C 81 180.700 179.775 0.925 1
1 950 . 12 1 1 A 81 81 ALA CA C 81 54.800 55.244 -0.444 1
1 951 . 12 1 1 A 81 81 ALA CB C 81 18.300 18.606 -0.306 1
1 952 . 12 1 1 A 81 81 ALA N N 81 118.500 120.402 -1.902 1
1 953 . 12 1 1 A 82 82 SER H H 82 8.480 8.249 0.231 1
1 954 . 12 1 1 A 82 82 SER HA H 82 4.240 4.051 0.189 1
1 957 . 12 1 1 A 82 82 SER C C 82 177.200 176.369 0.831 1
1 958 . 12 1 1 A 82 82 SER CA C 82 60.300 61.419 -1.119 1
1 959 . 12 1 1 A 82 82 SER CB C 82 62.700 62.867 -0.167 1
1 960 . 12 1 1 A 82 82 SER N N 82 115.300 112.854 2.446 1
1 961 . 12 1 1 A 83 83 ALA H H 83 8.970 7.918 1.052 1
1 962 . 12 1 1 A 83 83 ALA HA H 83 3.820 3.631 0.189 1
1 966 . 12 1 1 A 83 83 ALA C C 83 178.600 179.837 -1.237 1
1 967 . 12 1 1 A 83 83 ALA CA C 83 55.600 54.966 0.634 1
1 968 . 12 1 1 A 83 83 ALA CB C 83 19.400 17.255 2.145 1
1 969 . 12 1 1 A 83 83 ALA N N 83 124.700 123.273 1.427 1
1 970 . 12 1 1 A 84 84 ARG H H 84 7.250 8.049 -0.799 1
1 971 . 12 1 1 A 84 84 ARG HA H 84 3.740 4.047 -0.307 1
1 978 . 12 1 1 A 84 84 ARG C C 84 176.600 179.210 -2.610 1
1 979 . 12 1 1 A 84 84 ARG CA C 84 60.100 59.824 0.276 1
1 980 . 12 1 1 A 84 84 ARG CB C 84 29.900 29.948 -0.048 1
1 983 . 12 1 1 A 84 84 ARG N N 84 116.500 117.513 -1.013 1
1 984 . 12 1 1 A 85 85 GLU H H 85 7.240 8.152 -0.912 1
1 985 . 12 1 1 A 85 85 GLU HA H 85 3.890 3.985 -0.095 1
1 990 . 12 1 1 A 85 85 GLU C C 85 179.800 179.190 0.610 1
1 991 . 12 1 1 A 85 85 GLU CA C 85 59.200 58.736 0.464 1
1 992 . 12 1 1 A 85 85 GLU CB C 85 29.300 29.508 -0.208 1
1 994 . 12 1 1 A 85 85 GLU N N 85 115.600 120.313 -4.713 1
1 995 . 12 1 1 A 86 86 LEU H H 86 8.620 8.533 0.087 1
1 996 . 12 1 1 A 86 86 LEU HA H 86 4.030 3.920 0.110 1
1 1006 . 12 1 1 A 86 86 LEU C C 86 178.600 179.132 -0.532 1
1 1007 . 12 1 1 A 86 86 LEU CA C 86 58.100 57.731 0.369 1
1 1008 . 12 1 1 A 86 86 LEU CB C 86 42.200 41.932 0.268 1
1 1012 . 12 1 1 A 86 86 LEU N N 86 120.800 120.590 0.210 1
1 1013 . 12 1 1 A 87 87 MET H H 87 7.840 8.221 -0.381 1
1 1014 . 12 1 1 A 87 87 MET HA H 87 3.680 4.033 -0.353 1
1 1022 . 12 1 1 A 87 87 MET C C 87 175.600 178.434 -2.834 1
1 1023 . 12 1 1 A 87 87 MET CA C 87 60.000 58.834 1.166 1
1 1024 . 12 1 1 A 87 87 MET CB C 87 34.300 32.170 2.130 1
1 1027 . 12 1 1 A 87 87 MET N N 87 116.700 116.429 0.271 1
1 1028 . 12 1 1 A 88 88 LEU H H 88 7.490 8.118 -0.628 1
1 1029 . 12 1 1 A 88 88 LEU HA H 88 3.890 4.050 -0.160 1
1 1039 . 12 1 1 A 88 88 LEU C C 88 179.200 178.320 0.880 1
1 1040 . 12 1 1 A 88 88 LEU CA C 88 57.000 58.002 -1.002 1
1 1041 . 12 1 1 A 88 88 LEU CB C 88 41.800 41.544 0.256 1
1 1045 . 12 1 1 A 88 88 LEU N N 88 113.400 121.565 -8.165 1
1 1046 . 12 1 1 A 89 89 ALA H H 89 7.690 7.811 -0.121 1
1 1047 . 12 1 1 A 89 89 ALA HA H 89 4.210 4.215 -0.005 1
1 1051 . 12 1 1 A 89 89 ALA C C 89 179.100 177.806 1.294 1
1 1052 . 12 1 1 A 89 89 ALA CA C 89 54.100 54.726 -0.626 1
1 1053 . 12 1 1 A 89 89 ALA CB C 89 19.200 19.075 0.125 1
1 1054 . 12 1 1 A 89 89 ALA N N 89 119.100 120.030 -0.930 1
1 1055 . 12 1 1 A 90 90 GLN H H 90 8.100 8.223 -0.123 1
1 1062 . 12 1 1 A 90 90 GLN CA C 90 53.400 53.076 0.324 1
1 1063 . 12 1 1 A 90 90 GLN CB C 90 30.900 28.715 2.185 1
1 1064 . 12 1 1 A 90 90 GLN N N 90 115.100 114.980 0.120 1
1 1066 . 12 1 1 A 91 91 PRO HA H 91 4.530 4.310 0.220 1
1 1073 . 12 1 1 A 91 91 PRO C C 91 178.300 177.177 1.123 1
1 1074 . 12 1 1 A 91 91 PRO CA C 91 64.300 63.983 0.317 1
1 1075 . 12 1 1 A 91 91 PRO CB C 91 31.800 31.766 0.034 1
1 1078 . 12 1 1 A 92 92 SER H H 92 8.510 8.219 0.291 1
1 1079 . 12 1 1 A 92 92 SER HA H 92 4.310 4.291 0.019 1
1 1082 . 12 1 1 A 92 92 SER C C 92 174.200 175.916 -1.716 1
1 1083 . 12 1 1 A 92 92 SER CA C 92 62.000 60.481 1.519 1
1 1084 . 12 1 1 A 92 92 SER CB C 92 62.500 62.633 -0.133 1
1 1085 . 12 1 1 A 92 92 SER N N 92 115.000 114.483 0.517 1
1 1086 . 12 1 1 A 93 93 MET H H 93 8.790 7.657 1.133 1
1 1087 . 12 1 1 A 93 93 MET HA H 93 4.560 4.569 -0.009 1
1 1092 . 12 1 1 A 93 93 MET C C 93 174.900 176.397 -1.497 1
1 1093 . 12 1 1 A 93 93 MET CA C 93 56.900 57.032 -0.132 1
1 1094 . 12 1 1 A 93 93 MET CB C 93 35.000 32.879 2.121 1
1 1096 . 12 1 1 A 93 93 MET N N 93 118.400 119.702 -1.302 1
1 1097 . 12 1 1 A 94 94 VAL H H 94 7.540 7.442 0.098 1
1 1098 . 12 1 1 A 94 94 VAL HA H 94 4.080 3.992 0.088 1
1 1106 . 12 1 1 A 94 94 VAL C C 94 178.000 176.188 1.812 1
1 1107 . 12 1 1 A 94 94 VAL CA C 94 63.100 62.844 0.256 1
1 1108 . 12 1 1 A 94 94 VAL CB C 94 31.700 31.678 0.022 1
1 1111 . 12 1 1 A 94 94 VAL N N 94 121.000 121.048 -0.048 1
1 1112 . 12 1 1 A 95 95 LYS H H 95 9.550 8.364 1.186 1
1 1113 . 12 1 1 A 95 95 LYS HA H 95 3.940 4.117 -0.177 1
1 1116 . 12 1 1 A 95 95 LYS CA C 95 58.800 56.445 2.355 1
1 1117 . 12 1 1 A 95 95 LYS CB C 95 33.500 33.029 0.471 1
1 1121 . 12 1 1 A 95 95 LYS N N 95 131.200 125.856 5.344 1
1 1122 . 12 1 1 A 96 96 ARG H H 96 8.260 8.727 -0.467 1
1 1125 . 12 1 1 A 96 96 ARG CA C 96 52.700 54.451 -1.751 1
1 1126 . 12 1 1 A 96 96 ARG CB C 96 34.400 32.795 1.605 1
1 1127 . 12 1 1 A 96 96 ARG N N 96 117.100 118.303 -1.203 1
1 1134 . 12 1 1 A 97 97 PRO C C 97 176.600 175.371 1.229 1
1 1135 . 12 1 1 A 97 97 PRO CA C 97 62.400 62.478 -0.078 1
1 1136 . 12 1 1 A 97 97 PRO CB C 97 34.700 32.790 1.910 1
1 1139 . 12 1 1 A 98 98 VAL H H 98 7.540 8.353 -0.813 1
1 1140 . 12 1 1 A 98 98 VAL HA H 98 4.460 4.839 -0.379 1
1 1148 . 12 1 1 A 98 98 VAL C C 98 173.500 174.820 -1.320 1
1 1149 . 12 1 1 A 98 98 VAL CA C 98 64.000 60.311 3.689 1
1 1150 . 12 1 1 A 98 98 VAL CB C 98 33.600 35.759 -2.159 1
1 1153 . 12 1 1 A 98 98 VAL N N 98 117.800 120.236 -2.436 1
1 1154 . 12 1 1 A 99 99 LEU H H 99 9.030 8.935 0.095 1
1 1155 . 12 1 1 A 99 99 LEU HA H 99 5.410 5.424 -0.014 1
1 1165 . 12 1 1 A 99 99 LEU C C 99 173.800 175.330 -1.530 1
1 1166 . 12 1 1 A 99 99 LEU CA C 99 54.300 53.591 0.709 1
1 1167 . 12 1 1 A 99 99 LEU CB C 99 45.800 45.590 0.210 1
1 1171 . 12 1 1 A 99 99 LEU N N 99 131.400 126.649 4.751 1
1 1172 . 12 1 1 A 100 100 GLU H H 100 9.390 9.061 0.329 1
1 1173 . 12 1 1 A 100 100 GLU HA H 100 5.050 5.276 -0.226 1
1 1178 . 12 1 1 A 100 100 GLU C C 100 174.200 174.862 -0.662 1
1 1179 . 12 1 1 A 100 100 GLU CA C 100 55.300 54.865 0.435 1
1 1180 . 12 1 1 A 100 100 GLU CB C 100 35.600 33.799 1.801 1
1 1182 . 12 1 1 A 100 100 GLU N N 100 125.800 123.714 2.086 1
1 1183 . 12 1 1 A 101 101 ARG H H 101 7.610 8.548 -0.938 1
1 1184 . 12 1 1 A 101 101 ARG C C 101 175.900 174.676 1.224 1
1 1185 . 12 1 1 A 101 101 ARG CA C 101 56.700 56.091 0.609 1
1 1186 . 12 1 1 A 101 101 ARG CB C 101 32.500 32.776 -0.276 1
1 1189 . 12 1 1 A 101 101 ARG N N 101 125.100 125.547 -0.447 1
1 1190 . 12 1 1 A 102 102 ASP H H 102 10.080 9.335 0.745 1
1 1191 . 12 1 1 A 102 102 ASP HA H 102 4.450 4.377 0.073 1
1 1194 . 12 1 1 A 102 102 ASP C C 102 175.700 176.297 -0.597 1
1 1195 . 12 1 1 A 102 102 ASP CA C 102 55.300 55.355 -0.055 1
1 1196 . 12 1 1 A 102 102 ASP CB C 102 40.500 39.462 1.038 1
1 1197 . 12 1 1 A 102 102 ASP N N 102 132.000 127.953 4.047 1
1 1198 . 12 1 1 A 103 103 GLY H H 103 8.870 8.234 0.636 1
1 1199 . 12 1 1 A 103 103 GLY HA2 H 103 4.120 3.925 0.195 1
1 1200 . 12 1 1 A 103 103 GLY HA3 H 103 3.830 3.927 -0.097 1
1 1201 . 12 1 1 A 103 103 GLY C C 103 174.000 174.190 -0.190 1
1 1202 . 12 1 1 A 103 103 GLY CA C 103 45.600 45.215 0.385 1
1 1203 . 12 1 1 A 103 103 GLY N N 103 102.900 104.659 -1.759 1
1 1204 . 12 1 1 A 104 104 LYS H H 104 8.130 7.479 0.651 1
1 1205 . 12 1 1 A 104 104 LYS HA H 104 4.650 4.281 0.369 1
1 1208 . 12 1 1 A 104 104 LYS C C 104 176.500 175.626 0.874 1
1 1209 . 12 1 1 A 104 104 LYS CA C 104 55.500 56.531 -1.031 1
1 1210 . 12 1 1 A 104 104 LYS CB C 104 32.600 33.092 -0.492 1
1 1214 . 12 1 1 A 104 104 LYS N N 104 122.400 122.754 -0.354 1
1 1215 . 12 1 1 A 105 105 LEU H H 105 8.920 8.755 0.165 1
1 1216 . 12 1 1 A 105 105 LEU HA H 105 5.420 5.195 0.225 1
1 1226 . 12 1 1 A 105 105 LEU C C 105 177.200 174.926 2.274 1
1 1227 . 12 1 1 A 105 105 LEU CA C 105 54.300 53.823 0.477 1
1 1228 . 12 1 1 A 105 105 LEU CB C 105 45.400 44.646 0.754 1
1 1232 . 12 1 1 A 105 105 LEU N N 105 129.200 128.705 0.495 1
1 1233 . 12 1 1 A 106 106 MET H H 106 8.860 9.227 -0.367 1
1 1234 . 12 1 1 A 106 106 MET HA H 106 4.580 5.191 -0.611 1
1 1239 . 12 1 1 A 106 106 MET C C 106 174.500 174.557 -0.057 1
1 1240 . 12 1 1 A 106 106 MET CA C 106 55.300 54.200 1.100 1
1 1241 . 12 1 1 A 106 106 MET CB C 106 36.500 35.967 0.533 1
1 1243 . 12 1 1 A 106 106 MET N N 106 121.500 125.331 -3.831 1
1 1244 . 12 1 1 A 107 107 VAL H H 107 9.180 8.601 0.579 1
1 1245 . 12 1 1 A 107 107 VAL HA H 107 4.690 4.269 0.421 1
1 1253 . 12 1 1 A 107 107 VAL C C 107 176.200 176.012 0.188 1
1 1254 . 12 1 1 A 107 107 VAL CA C 107 61.400 60.998 0.402 1
1 1255 . 12 1 1 A 107 107 VAL CB C 107 33.400 32.652 0.748 1
1 1258 . 12 1 1 A 107 107 VAL N N 107 129.500 125.236 4.264 1
1 1259 . 12 1 1 A 108 108 GLY H H 108 8.730 8.403 0.327 1
1 1260 . 12 1 1 A 108 108 GLY HA2 H 108 4.430 3.825 0.605 1
1 1261 . 12 1 1 A 108 108 GLY HA3 H 108 3.850 3.852 -0.002 1
1 1262 . 12 1 1 A 108 108 GLY CA C 108 43.800 44.511 -0.711 1
1 1263 . 12 1 1 A 108 108 GLY N N 108 113.600 112.982 0.618 1
1 1271 . 12 1 1 A 109 109 PHE C C 109 172.700 175.214 -2.514 1
1 1272 . 12 1 1 A 109 109 PHE CA C 109 58.900 56.501 2.399 1
1 1273 . 12 1 1 A 109 109 PHE CB C 109 42.100 43.417 -1.317 1
1 1279 . 12 1 1 A 110 110 LYS H H 110 6.510 8.552 -2.042 1
1 1282 . 12 1 1 A 110 110 LYS CA C 110 53.500 55.202 -1.702 1
1 1283 . 12 1 1 A 110 110 LYS CB C 110 34.800 32.158 2.642 1
1 1284 . 12 1 1 A 110 110 LYS N N 110 126.600 121.320 5.280 1
1 1285 . 12 1 1 A 111 111 PRO HA H 111 3.360 4.174 -0.814 1
1 1292 . 12 1 1 A 111 111 PRO C C 111 177.100 178.663 -1.563 1
1 1293 . 12 1 1 A 111 111 PRO CA C 111 66.600 65.747 0.853 1
1 1294 . 12 1 1 A 111 111 PRO CB C 111 31.700 31.782 -0.082 1
1 1297 . 12 1 1 A 112 112 ALA H H 112 8.450 8.318 0.132 1
1 1298 . 12 1 1 A 112 112 ALA HA H 112 4.140 4.109 0.031 1
1 1302 . 12 1 1 A 112 112 ALA C C 112 180.300 180.706 -0.406 1
1 1303 . 12 1 1 A 112 112 ALA CA C 112 54.900 55.435 -0.535 1
1 1304 . 12 1 1 A 112 112 ALA CB C 112 18.800 18.575 0.225 1
1 1305 . 12 1 1 A 112 112 ALA N N 112 116.200 118.684 -2.484 1
1 1306 . 12 1 1 A 113 113 GLN H H 113 6.880 7.879 -0.999 1
1 1307 . 12 1 1 A 113 113 GLN HA H 113 4.130 4.085 0.045 1
1 1314 . 12 1 1 A 113 113 GLN C C 113 178.400 178.258 0.142 1
1 1315 . 12 1 1 A 113 113 GLN CA C 113 60.100 59.176 0.924 1
1 1316 . 12 1 1 A 113 113 GLN CB C 113 29.100 28.796 0.304 1
1 1318 . 12 1 1 A 113 113 GLN N N 113 118.200 117.559 0.641 1
1 1320 . 12 1 1 A 114 114 TYR H H 114 7.600 8.218 -0.618 1
1 1321 . 12 1 1 A 114 114 TYR HA H 114 3.800 4.200 -0.400 1
1 1328 . 12 1 1 A 114 114 TYR C C 114 177.100 177.901 -0.801 1
1 1329 . 12 1 1 A 114 114 TYR CA C 114 61.700 61.098 0.602 1
1 1330 . 12 1 1 A 114 114 TYR CB C 114 33.200 38.248 -5.048 1
1 1335 . 12 1 1 A 114 114 TYR N N 114 124.900 121.263 3.637 1
1 1336 . 12 1 1 A 115 115 GLU H H 115 8.610 8.469 0.141 1
1 1337 . 12 1 1 A 115 115 GLU HA H 115 4.160 4.174 -0.014 1
1 1342 . 12 1 1 A 115 115 GLU C C 115 178.800 178.687 0.113 1
1 1343 . 12 1 1 A 115 115 GLU CA C 115 60.100 59.703 0.397 1
1 1344 . 12 1 1 A 115 115 GLU CB C 115 30.000 30.015 -0.015 1
1 1346 . 12 1 1 A 115 115 GLU N N 115 119.300 118.891 0.409 1
1 1347 . 12 1 1 A 116 116 ALA H H 116 7.390 8.006 -0.616 1
1 1348 . 12 1 1 A 116 116 ALA HA H 116 4.210 4.189 0.021 1
1 1352 . 12 1 1 A 116 116 ALA C C 116 179.700 179.696 0.004 1
1 1353 . 12 1 1 A 116 116 ALA CA C 116 54.600 55.114 -0.514 1
1 1354 . 12 1 1 A 116 116 ALA CB C 116 18.200 18.662 -0.462 1
1 1355 . 12 1 1 A 116 116 ALA N N 116 118.200 122.554 -4.354 1
1 1356 . 12 1 1 A 117 117 TYR H H 117 7.780 8.312 -0.532 1
1 1357 . 12 1 1 A 117 117 TYR HA H 117 3.890 4.277 -0.387 1
1 1364 . 12 1 1 A 117 117 TYR C C 117 177.300 178.469 -1.169 1
1 1365 . 12 1 1 A 117 117 TYR CA C 117 61.100 60.841 0.259 1
1 1366 . 12 1 1 A 117 117 TYR CB C 117 39.200 37.674 1.526 1
1 1371 . 12 1 1 A 117 117 TYR N N 117 120.200 116.425 3.775 1
1 1372 . 12 1 1 A 118 118 PHE H H 118 7.960 8.136 -0.176 1
1 1379 . 12 1 1 A 118 118 PHE C C 118 174.900 176.379 -1.479 1
1 1380 . 12 1 1 A 118 118 PHE CA C 118 57.850 61.148 -3.298 1
1 1381 . 12 1 1 A 118 118 PHE CB C 118 39.100 39.344 -0.244 1
1 1386 . 12 1 1 A 118 118 PHE N N 118 113.100 120.235 -7.135 1
1 1387 . 12 1 1 A 119 119 LYS H H 119 7.670 7.415 0.255 1
1 1388 . 12 1 1 A 119 119 LYS HA H 119 4.210 4.298 -0.088 1
1 1397 . 12 1 1 A 119 119 LYS CA C 119 57.300 56.526 0.774 1
1 1398 . 12 1 1 A 119 119 LYS CB C 119 31.200 33.033 -1.833 1
1 1402 . 12 1 1 A 119 119 LYS N N 119 120.200 119.468 0.732 1
1 1 . 13 1 1 A 2 2 PRO HA H 2 4.500 4.546 -0.046 1
1 8 . 13 1 1 A 2 2 PRO C C 2 177.500 176.341 1.159 1
1 9 . 13 1 1 A 2 2 PRO CA C 2 63.500 63.331 0.169 1
1 10 . 13 1 1 A 2 2 PRO CB C 2 32.200 31.616 0.584 1
1 13 . 13 1 1 A 3 3 GLY H H 3 8.113 8.179 -0.066 1
1 14 . 13 1 1 A 3 3 GLY HA2 H 3 4.060 4.179 -0.119 1
1 15 . 13 1 1 A 3 3 GLY HA3 H 3 4.030 4.181 -0.151 1
1 16 . 13 1 1 A 3 3 GLY CA C 3 45.300 45.706 -0.406 1
1 17 . 13 1 1 A 3 3 GLY N N 3 110.500 109.512 0.988 1
1 18 . 13 1 1 A 4 4 SER H H 4 8.280 8.385 -0.105 1
1 19 . 13 1 1 A 4 4 SER HA H 4 4.520 4.247 0.273 1
1 22 . 13 1 1 A 4 4 SER C C 4 178.100 174.529 3.571 1
1 23 . 13 1 1 A 4 4 SER CA C 4 58.600 60.845 -2.245 1
1 24 . 13 1 1 A 4 4 SER CB C 4 63.800 63.324 0.476 1
1 25 . 13 1 1 A 4 4 SER N N 4 115.900 117.486 -1.586 1
1 26 . 13 1 1 A 5 5 MET H H 5 8.680 7.535 1.145 1
1 27 . 13 1 1 A 5 5 MET HA H 5 4.700 4.706 -0.006 1
1 32 . 13 1 1 A 5 5 MET C C 5 174.800 174.562 0.238 1
1 33 . 13 1 1 A 5 5 MET CA C 5 54.900 54.364 0.536 1
1 34 . 13 1 1 A 5 5 MET CB C 5 32.500 33.529 -1.029 1
1 36 . 13 1 1 A 5 5 MET N N 5 121.500 120.675 0.825 1
1 37 . 13 1 1 A 6 6 SER H H 6 8.220 8.841 -0.621 1
1 38 . 13 1 1 A 6 6 SER HA H 6 4.580 5.366 -0.786 1
1 41 . 13 1 1 A 6 6 SER C C 6 174.200 172.547 1.653 1
1 42 . 13 1 1 A 6 6 SER CA C 6 59.100 55.748 3.352 1
1 43 . 13 1 1 A 6 6 SER CB C 6 63.800 66.331 -2.531 1
1 44 . 13 1 1 A 6 6 SER N N 6 117.000 120.055 -3.055 1
1 45 . 13 1 1 A 7 7 VAL H H 7 8.750 8.637 0.113 1
1 46 . 13 1 1 A 7 7 VAL HA H 7 4.840 4.841 -0.001 1
1 54 . 13 1 1 A 7 7 VAL C C 7 175.800 173.391 2.409 1
1 55 . 13 1 1 A 7 7 VAL CA C 7 61.800 59.599 2.201 1
1 56 . 13 1 1 A 7 7 VAL CB C 7 33.800 34.395 -0.595 1
1 59 . 13 1 1 A 7 7 VAL N N 7 124.100 120.380 3.720 1
1 60 . 13 1 1 A 8 8 THR H H 8 8.880 8.321 0.559 1
1 61 . 13 1 1 A 8 8 THR HA H 8 5.360 4.844 0.516 1
1 66 . 13 1 1 A 8 8 THR C C 8 172.500 172.754 -0.254 1
1 67 . 13 1 1 A 8 8 THR CA C 8 61.700 61.464 0.236 1
1 68 . 13 1 1 A 8 8 THR CB C 8 70.600 70.279 0.321 1
1 70 . 13 1 1 A 8 8 THR N N 8 124.500 123.039 1.461 1
1 71 . 13 1 1 A 9 9 ILE H H 9 9.170 9.318 -0.148 1
1 72 . 13 1 1 A 9 9 ILE HA H 9 5.610 5.594 0.016 1
1 82 . 13 1 1 A 9 9 ILE C C 9 172.500 172.808 -0.308 1
1 83 . 13 1 1 A 9 9 ILE CA C 9 58.300 58.487 -0.187 1
1 84 . 13 1 1 A 9 9 ILE CB C 9 42.400 41.517 0.883 1
1 88 . 13 1 1 A 9 9 ILE N N 9 123.900 128.322 -4.422 1
1 89 . 13 1 1 A 10 10 TYR H H 10 9.740 9.433 0.307 1
1 90 . 13 1 1 A 10 10 TYR HA H 10 5.410 5.598 -0.188 1
1 95 . 13 1 1 A 10 10 TYR C C 10 177.500 176.297 1.203 1
1 96 . 13 1 1 A 10 10 TYR CA C 10 56.500 55.261 1.239 1
1 97 . 13 1 1 A 10 10 TYR CB C 10 40.300 40.741 -0.441 1
1 100 . 13 1 1 A 10 10 TYR N N 10 125.300 127.937 -2.637 1
1 101 . 13 1 1 A 11 11 GLY H H 11 7.880 8.456 -0.576 1
1 102 . 13 1 1 A 11 11 GLY HA2 H 11 4.700 4.561 0.139 1
1 103 . 13 1 1 A 11 11 GLY HA3 H 11 4.700 4.718 -0.018 1
1 104 . 13 1 1 A 11 11 GLY C C 11 170.000 172.747 -2.747 1
1 105 . 13 1 1 A 11 11 GLY CA C 11 46.700 46.297 0.403 1
1 106 . 13 1 1 A 11 11 GLY N N 11 108.600 109.975 -1.375 1
1 107 . 13 1 1 A 12 12 ILE H H 12 6.340 8.751 -2.411 1
1 108 . 13 1 1 A 12 12 ILE HA H 12 5.330 5.124 0.206 1
1 118 . 13 1 1 A 12 12 ILE C C 12 175.100 176.349 -1.249 1
1 119 . 13 1 1 A 12 12 ILE CA C 12 59.300 58.691 0.609 1
1 120 . 13 1 1 A 12 12 ILE CB C 12 41.000 41.771 -0.771 1
1 124 . 13 1 1 A 12 12 ILE N N 12 113.300 117.703 -4.403 1
1 125 . 13 1 1 A 13 13 LYS H H 13 9.450 8.704 0.746 1
1 126 . 13 1 1 A 13 13 LYS HA H 13 4.090 4.339 -0.249 1
1 129 . 13 1 1 A 13 13 LYS C C 13 177.800 177.366 0.434 1
1 130 . 13 1 1 A 13 13 LYS CA C 13 59.200 58.348 0.852 1
1 131 . 13 1 1 A 13 13 LYS CB C 13 33.600 32.664 0.936 1
1 133 . 13 1 1 A 13 13 LYS N N 13 120.900 122.463 -1.563 1
1 134 . 13 1 1 A 14 14 ASN H H 14 8.700 7.678 1.022 1
1 135 . 13 1 1 A 14 14 ASN HA H 14 4.690 4.857 -0.167 1
1 140 . 13 1 1 A 14 14 ASN C C 14 173.100 174.259 -1.159 1
1 141 . 13 1 1 A 14 14 ASN CA C 14 52.700 51.994 0.706 1
1 142 . 13 1 1 A 14 14 ASN CB C 14 36.300 36.912 -0.612 1
1 143 . 13 1 1 A 14 14 ASN N N 14 116.600 116.269 0.331 1
1 145 . 13 1 1 A 15 15 CYS H H 15 7.440 7.686 -0.246 1
1 146 . 13 1 1 A 15 15 CYS HA H 15 4.510 4.845 -0.335 1
1 149 . 13 1 1 A 15 15 CYS CA C 15 59.100 57.949 1.151 1
1 150 . 13 1 1 A 15 15 CYS CB C 15 30.800 31.078 -0.278 1
1 151 . 13 1 1 A 15 15 CYS N N 15 124.400 121.938 2.462 1
1 152 . 13 1 1 A 16 16 ASP HA H 16 4.460 4.408 0.052 1
1 155 . 13 1 1 A 16 16 ASP C C 16 178.000 178.314 -0.314 1
1 156 . 13 1 1 A 16 16 ASP CA C 16 57.500 57.120 0.380 1
1 157 . 13 1 1 A 16 16 ASP CB C 16 41.400 40.822 0.578 1
1 158 . 13 1 1 A 17 17 THR H H 17 9.210 7.989 1.221 1
1 159 . 13 1 1 A 17 17 THR HA H 17 4.000 3.795 0.205 1
1 164 . 13 1 1 A 17 17 THR C C 17 176.000 176.677 -0.677 1
1 165 . 13 1 1 A 17 17 THR CA C 17 67.400 67.247 0.153 1
1 166 . 13 1 1 A 17 17 THR CB C 17 68.200 68.431 -0.231 1
1 168 . 13 1 1 A 17 17 THR N N 17 122.200 117.024 5.176 1
1 169 . 13 1 1 A 18 18 MET H H 18 8.940 8.221 0.719 1
1 170 . 13 1 1 A 18 18 MET HA H 18 3.990 3.934 0.056 1
1 176 . 13 1 1 A 18 18 MET C C 18 178.300 178.634 -0.334 1
1 177 . 13 1 1 A 18 18 MET CA C 18 56.000 59.199 -3.199 1
1 178 . 13 1 1 A 18 18 MET CB C 18 31.400 32.784 -1.384 1
1 181 . 13 1 1 A 18 18 MET N N 18 125.300 118.204 7.096 1
1 182 . 13 1 1 A 19 19 LYS H H 19 8.080 7.805 0.275 1
1 183 . 13 1 1 A 19 19 LYS HA H 19 3.800 3.849 -0.049 1
1 186 . 13 1 1 A 19 19 LYS CA C 19 60.000 59.599 0.401 1
1 187 . 13 1 1 A 19 19 LYS CB C 19 32.500 32.597 -0.097 1
1 191 . 13 1 1 A 19 19 LYS N N 19 117.900 120.402 -2.502 1
1 192 . 13 1 1 A 20 20 LYS H H 20 7.510 7.644 -0.134 1
1 193 . 13 1 1 A 20 20 LYS HA H 20 3.790 4.079 -0.289 1
1 198 . 13 1 1 A 20 20 LYS C C 20 178.500 179.109 -0.609 1
1 199 . 13 1 1 A 20 20 LYS CA C 20 59.500 59.590 -0.090 1
1 200 . 13 1 1 A 20 20 LYS CB C 20 32.800 32.307 0.493 1
1 204 . 13 1 1 A 20 20 LYS N N 20 117.500 118.791 -1.291 1
1 205 . 13 1 1 A 21 21 ALA H H 21 7.730 8.257 -0.527 1
1 206 . 13 1 1 A 21 21 ALA HA H 21 2.540 4.020 -1.480 1
1 210 . 13 1 1 A 21 21 ALA C C 21 178.700 179.957 -1.257 1
1 211 . 13 1 1 A 21 21 ALA CA C 21 54.400 55.393 -0.993 1
1 212 . 13 1 1 A 21 21 ALA CB C 21 19.000 18.069 0.931 1
1 213 . 13 1 1 A 21 21 ALA N N 21 123.600 122.060 1.540 1
1 214 . 13 1 1 A 22 22 ARG H H 22 8.110 8.114 -0.004 1
1 215 . 13 1 1 A 22 22 ARG HA H 22 3.490 3.973 -0.483 1
1 222 . 13 1 1 A 22 22 ARG C C 22 178.200 178.497 -0.297 1
1 223 . 13 1 1 A 22 22 ARG CA C 22 60.500 59.348 1.152 1
1 224 . 13 1 1 A 22 22 ARG CB C 22 30.700 29.699 1.001 1
1 227 . 13 1 1 A 22 22 ARG N N 22 116.100 117.399 -1.299 1
1 228 . 13 1 1 A 23 23 ILE H H 23 7.860 8.088 -0.228 1
1 229 . 13 1 1 A 23 23 ILE HA H 23 3.710 3.771 -0.061 1
1 239 . 13 1 1 A 23 23 ILE C C 23 177.200 178.642 -1.442 1
1 240 . 13 1 1 A 23 23 ILE CA C 23 65.000 65.159 -0.159 1
1 241 . 13 1 1 A 23 23 ILE CB C 23 38.000 37.757 0.243 1
1 245 . 13 1 1 A 23 23 ILE N N 23 119.400 119.482 -0.082 1
1 246 . 13 1 1 A 24 24 TRP H H 24 7.880 8.074 -0.194 1
1 247 . 13 1 1 A 24 24 TRP HA H 24 4.270 4.394 -0.124 1
1 256 . 13 1 1 A 24 24 TRP C C 24 176.100 178.152 -2.052 1
1 257 . 13 1 1 A 24 24 TRP CA C 24 63.100 61.143 1.957 1
1 258 . 13 1 1 A 24 24 TRP CB C 24 30.200 29.812 0.388 1
1 264 . 13 1 1 A 24 24 TRP N N 24 121.000 122.224 -1.224 1
1 266 . 13 1 1 A 25 25 LEU H H 25 8.690 8.757 -0.067 1
1 267 . 13 1 1 A 25 25 LEU HA H 25 4.000 4.055 -0.055 1
1 277 . 13 1 1 A 25 25 LEU C C 25 178.600 179.287 -0.687 1
1 278 . 13 1 1 A 25 25 LEU CA C 25 59.700 58.066 1.634 1
1 279 . 13 1 1 A 25 25 LEU CB C 25 41.200 41.190 0.010 1
1 283 . 13 1 1 A 25 25 LEU N N 25 121.800 119.642 2.158 1
1 284 . 13 1 1 A 26 26 GLU H H 26 8.580 8.570 0.010 1
1 285 . 13 1 1 A 26 26 GLU HA H 26 4.200 4.013 0.187 1
1 290 . 13 1 1 A 26 26 GLU C C 26 181.200 179.027 2.173 1
1 291 . 13 1 1 A 26 26 GLU CA C 26 59.500 59.870 -0.370 1
1 292 . 13 1 1 A 26 26 GLU CB C 26 28.800 29.328 -0.528 1
1 294 . 13 1 1 A 26 26 GLU N N 26 120.600 118.185 2.415 1
1 295 . 13 1 1 A 27 27 ASP H H 27 9.360 8.145 1.215 1
1 296 . 13 1 1 A 27 27 ASP HA H 27 4.270 4.283 -0.013 1
1 299 . 13 1 1 A 27 27 ASP C C 27 177.400 178.379 -0.979 1
1 300 . 13 1 1 A 27 27 ASP CA C 27 56.400 57.099 -0.699 1
1 301 . 13 1 1 A 27 27 ASP CB C 27 40.000 41.375 -1.375 1
1 302 . 13 1 1 A 27 27 ASP N N 27 121.800 120.345 1.455 1
1 303 . 13 1 1 A 28 28 HIS H H 28 7.340 7.948 -0.608 1
1 304 . 13 1 1 A 28 28 HIS HA H 28 4.250 4.374 -0.124 1
1 309 . 13 1 1 A 28 28 HIS C C 28 173.600 175.363 -1.763 1
1 310 . 13 1 1 A 28 28 HIS CA C 28 56.700 58.137 -1.437 1
1 311 . 13 1 1 A 28 28 HIS CB C 28 27.500 30.259 -2.759 1
1 314 . 13 1 1 A 28 28 HIS N N 28 113.400 118.954 -5.554 1
1 315 . 13 1 1 A 29 29 GLY H H 29 7.790 8.448 -0.658 1
1 316 . 13 1 1 A 29 29 GLY HA2 H 29 3.870 3.868 0.002 1
1 317 . 13 1 1 A 29 29 GLY HA3 H 29 3.870 3.877 -0.007 1
1 318 . 13 1 1 A 29 29 GLY C C 29 174.200 174.586 -0.386 1
1 319 . 13 1 1 A 29 29 GLY CA C 29 46.900 46.294 0.606 1
1 320 . 13 1 1 A 29 29 GLY N N 29 109.400 107.238 2.162 1
1 321 . 13 1 1 A 30 30 ILE H H 30 8.120 7.904 0.216 1
1 322 . 13 1 1 A 30 30 ILE HA H 30 4.040 4.670 -0.630 1
1 332 . 13 1 1 A 30 30 ILE C C 30 175.500 174.797 0.703 1
1 333 . 13 1 1 A 30 30 ILE CA C 30 60.000 60.038 -0.038 1
1 334 . 13 1 1 A 30 30 ILE CB C 30 38.100 39.846 -1.746 1
1 338 . 13 1 1 A 30 30 ILE N N 30 121.800 120.511 1.289 1
1 339 . 13 1 1 A 31 31 ASP H H 31 8.430 8.565 -0.135 1
1 340 . 13 1 1 A 31 31 ASP HA H 31 4.650 5.407 -0.757 1
1 343 . 13 1 1 A 31 31 ASP C C 31 175.800 175.629 0.171 1
1 344 . 13 1 1 A 31 31 ASP CA C 31 54.600 53.060 1.540 1
1 345 . 13 1 1 A 31 31 ASP CB C 31 41.600 42.770 -1.170 1
1 346 . 13 1 1 A 31 31 ASP N N 31 128.500 124.992 3.508 1
1 347 . 13 1 1 A 32 32 TYR H H 32 7.920 9.061 -1.141 1
1 348 . 13 1 1 A 32 32 TYR HA H 32 5.500 4.824 0.676 1
1 355 . 13 1 1 A 32 32 TYR C C 32 173.800 175.008 -1.208 1
1 356 . 13 1 1 A 32 32 TYR CA C 32 56.100 57.216 -1.116 1
1 357 . 13 1 1 A 32 32 TYR CB C 32 41.700 42.538 -0.838 1
1 362 . 13 1 1 A 32 32 TYR N N 32 117.500 119.988 -2.488 1
1 363 . 13 1 1 A 33 33 THR H H 33 8.900 8.829 0.071 1
1 364 . 13 1 1 A 33 33 THR HA H 33 4.470 4.545 -0.075 1
1 369 . 13 1 1 A 33 33 THR C C 33 172.900 173.750 -0.850 1
1 370 . 13 1 1 A 33 33 THR CA C 33 61.800 62.413 -0.613 1
1 371 . 13 1 1 A 33 33 THR CB C 33 70.800 68.931 1.869 1
1 373 . 13 1 1 A 33 33 THR N N 33 117.100 119.536 -2.436 1
1 374 . 13 1 1 A 34 34 PHE H H 34 9.280 9.046 0.234 1
1 375 . 13 1 1 A 34 34 PHE HA H 34 5.520 4.702 0.818 1
1 383 . 13 1 1 A 34 34 PHE CA C 34 53.900 57.966 -4.066 1
1 384 . 13 1 1 A 34 34 PHE CB C 34 39.900 39.363 0.537 1
1 390 . 13 1 1 A 34 34 PHE N N 34 128.200 128.492 -0.292 1
1 391 . 13 1 1 A 35 35 HIS H H 35 9.210 8.782 0.428 1
1 392 . 13 1 1 A 35 35 HIS HA H 35 4.240 4.520 -0.280 1
1 397 . 13 1 1 A 35 35 HIS CA C 35 54.900 53.549 1.351 1
1 398 . 13 1 1 A 35 35 HIS CB C 35 30.700 32.240 -1.540 1
1 401 . 13 1 1 A 35 35 HIS N N 35 133.900 125.261 8.639 1
1 402 . 13 1 1 A 36 36 ASP H H 36 7.930 8.423 -0.493 1
1 403 . 13 1 1 A 36 36 ASP HA H 36 4.470 4.879 -0.409 1
1 406 . 13 1 1 A 36 36 ASP C C 36 178.500 176.203 2.297 1
1 407 . 13 1 1 A 36 36 ASP CA C 36 50.900 53.721 -2.821 1
1 408 . 13 1 1 A 36 36 ASP CB C 36 42.200 41.619 0.581 1
1 409 . 13 1 1 A 36 36 ASP N N 36 127.000 123.879 3.121 1
1 410 . 13 1 1 A 37 37 TYR H H 37 9.290 8.832 0.458 1
1 417 . 13 1 1 A 37 37 TYR C C 37 178.700 178.125 0.575 1
1 418 . 13 1 1 A 37 37 TYR CA C 37 58.700 61.050 -2.350 1
1 419 . 13 1 1 A 37 37 TYR CB C 37 39.100 38.077 1.023 1
1 424 . 13 1 1 A 37 37 TYR N N 37 126.400 122.045 4.355 1
1 425 . 13 1 1 A 38 38 LYS H H 38 8.880 8.191 0.689 1
1 426 . 13 1 1 A 38 38 LYS HA H 38 4.300 3.987 0.313 1
1 429 . 13 1 1 A 38 38 LYS CA C 38 57.700 59.695 -1.995 1
1 430 . 13 1 1 A 38 38 LYS CB C 38 31.600 32.200 -0.600 1
1 434 . 13 1 1 A 38 38 LYS N N 38 115.800 121.778 -5.978 1
1 435 . 13 1 1 A 39 39 LYS H H 39 7.330 7.935 -0.605 1
1 436 . 13 1 1 A 39 39 LYS HA H 39 4.420 3.908 0.512 1
1 443 . 13 1 1 A 39 39 LYS CA C 39 57.500 59.794 -2.294 1
1 444 . 13 1 1 A 39 39 LYS CB C 39 34.600 32.127 2.473 1
1 448 . 13 1 1 A 39 39 LYS N N 39 118.800 119.335 -0.535 1
1 449 . 13 1 1 A 40 40 GLU H H 40 8.570 8.288 0.282 1
1 450 . 13 1 1 A 40 40 GLU HA H 40 4.280 4.054 0.226 1
1 455 . 13 1 1 A 40 40 GLU CA C 40 57.900 58.218 -0.318 1
1 456 . 13 1 1 A 40 40 GLU CB C 40 29.300 30.272 -0.972 1
1 458 . 13 1 1 A 40 40 GLU N N 40 117.600 118.083 -0.483 1
1 459 . 13 1 1 A 41 41 GLY H H 41 7.470 7.720 -0.250 1
1 460 . 13 1 1 A 41 41 GLY HA2 H 41 4.310 4.040 0.270 1
1 461 . 13 1 1 A 41 41 GLY HA3 H 41 4.170 4.051 0.119 1
1 462 . 13 1 1 A 41 41 GLY CA C 41 44.900 44.685 0.215 1
1 463 . 13 1 1 A 41 41 GLY N N 41 106.300 106.401 -0.101 1
1 464 . 13 1 1 A 42 42 LEU H H 42 8.290 8.803 -0.513 1
1 465 . 13 1 1 A 42 42 LEU HA H 42 4.950 5.102 -0.152 1
1 475 . 13 1 1 A 42 42 LEU C C 42 173.800 175.207 -1.407 1
1 476 . 13 1 1 A 42 42 LEU CA C 42 54.500 53.910 0.590 1
1 477 . 13 1 1 A 42 42 LEU CB C 42 43.400 43.479 -0.079 1
1 481 . 13 1 1 A 42 42 LEU N N 42 121.000 125.849 -4.849 1
1 482 . 13 1 1 A 43 43 ASP H H 43 8.520 8.548 -0.028 1
1 483 . 13 1 1 A 43 43 ASP HA H 43 4.800 5.056 -0.256 1
1 486 . 13 1 1 A 43 43 ASP C C 43 175.400 176.178 -0.778 1
1 487 . 13 1 1 A 43 43 ASP CA C 43 51.600 52.254 -0.654 1
1 488 . 13 1 1 A 43 43 ASP CB C 43 42.200 44.401 -2.201 1
1 489 . 13 1 1 A 43 43 ASP N N 43 124.800 124.854 -0.054 1
1 490 . 13 1 1 A 44 44 ALA H H 44 8.640 8.719 -0.079 1
1 491 . 13 1 1 A 44 44 ALA HA H 44 3.780 4.113 -0.333 1
1 495 . 13 1 1 A 44 44 ALA C C 44 178.100 179.516 -1.416 1
1 496 . 13 1 1 A 44 44 ALA CA C 44 55.400 55.663 -0.263 1
1 497 . 13 1 1 A 44 44 ALA CB C 44 18.100 18.184 -0.084 1
1 498 . 13 1 1 A 44 44 ALA N N 44 122.400 125.558 -3.158 1
1 499 . 13 1 1 A 45 45 GLU H H 45 8.240 8.259 -0.019 1
1 500 . 13 1 1 A 45 45 GLU HA H 45 3.920 4.041 -0.121 1
1 505 . 13 1 1 A 45 45 GLU C C 45 179.300 179.151 0.149 1
1 506 . 13 1 1 A 45 45 GLU CA C 45 59.800 60.021 -0.221 1
1 507 . 13 1 1 A 45 45 GLU CB C 45 29.200 29.233 -0.033 1
1 509 . 13 1 1 A 45 45 GLU N N 45 115.600 118.694 -3.094 1
1 510 . 13 1 1 A 46 46 THR H H 46 7.910 8.129 -0.219 1
1 511 . 13 1 1 A 46 46 THR HA H 46 3.500 3.937 -0.437 1
1 516 . 13 1 1 A 46 46 THR C C 46 174.300 176.469 -2.169 1
1 517 . 13 1 1 A 46 46 THR CA C 46 66.600 67.395 -0.795 1
1 518 . 13 1 1 A 46 46 THR CB C 46 67.700 68.842 -1.142 1
1 520 . 13 1 1 A 46 46 THR N N 46 117.700 116.207 1.493 1
1 521 . 13 1 1 A 47 47 LEU H H 47 7.710 8.401 -0.691 1
1 522 . 13 1 1 A 47 47 LEU HA H 47 3.510 4.111 -0.601 1
1 532 . 13 1 1 A 47 47 LEU C C 47 178.000 178.242 -0.242 1
1 533 . 13 1 1 A 47 47 LEU CA C 47 57.900 58.502 -0.602 1
1 534 . 13 1 1 A 47 47 LEU CB C 47 41.500 41.901 -0.401 1
1 538 . 13 1 1 A 47 47 LEU N N 47 120.400 121.380 -0.980 1
1 539 . 13 1 1 A 48 48 ASP H H 48 9.000 8.439 0.561 1
1 540 . 13 1 1 A 48 48 ASP HA H 48 4.490 4.304 0.186 1
1 543 . 13 1 1 A 48 48 ASP C C 48 179.100 178.408 0.692 1
1 544 . 13 1 1 A 48 48 ASP CA C 48 57.500 57.775 -0.275 1
1 545 . 13 1 1 A 48 48 ASP CB C 48 39.100 42.161 -3.061 1
1 546 . 13 1 1 A 48 48 ASP N N 48 116.800 118.370 -1.570 1
1 547 . 13 1 1 A 49 49 ARG H H 49 7.560 8.149 -0.589 1
1 548 . 13 1 1 A 49 49 ARG HA H 49 4.110 3.822 0.288 1
1 555 . 13 1 1 A 49 49 ARG C C 49 180.100 178.911 1.189 1
1 556 . 13 1 1 A 49 49 ARG CA C 49 60.300 58.976 1.324 1
1 557 . 13 1 1 A 49 49 ARG CB C 49 29.600 29.533 0.067 1
1 560 . 13 1 1 A 49 49 ARG N N 49 122.100 119.491 2.609 1
1 561 . 13 1 1 A 50 50 PHE H H 50 8.300 8.038 0.262 1
1 562 . 13 1 1 A 50 50 PHE HA H 50 4.550 4.351 0.199 1
1 569 . 13 1 1 A 50 50 PHE C C 50 178.400 178.314 0.086 1
1 570 . 13 1 1 A 50 50 PHE CA C 50 57.500 60.837 -3.337 1
1 571 . 13 1 1 A 50 50 PHE CB C 50 36.900 38.417 -1.517 1
1 576 . 13 1 1 A 50 50 PHE N N 50 122.100 118.890 3.210 1
1 577 . 13 1 1 A 51 51 LEU H H 51 8.460 8.327 0.133 1
1 587 . 13 1 1 A 51 51 LEU CA C 51 55.920 58.207 -2.287 1
1 588 . 13 1 1 A 51 51 LEU CB C 51 42.400 41.961 0.439 1
1 592 . 13 1 1 A 51 51 LEU N N 51 117.000 121.786 -4.786 1
1 593 . 13 1 1 A 52 52 LYS H H 52 7.660 8.404 -0.744 1
1 594 . 13 1 1 A 52 52 LYS HA H 52 4.180 4.050 0.130 1
1 603 . 13 1 1 A 52 52 LYS C C 52 178.300 178.730 -0.430 1
1 604 . 13 1 1 A 52 52 LYS CA C 52 58.700 59.387 -0.687 1
1 605 . 13 1 1 A 52 52 LYS CB C 52 32.700 32.236 0.464 1
1 609 . 13 1 1 A 52 52 LYS N N 52 119.100 118.906 0.194 1
1 610 . 13 1 1 A 53 53 THR H H 53 7.430 7.275 0.155 1
1 611 . 13 1 1 A 53 53 THR HA H 53 4.570 4.314 0.256 1
1 616 . 13 1 1 A 53 53 THR C C 53 173.800 174.781 -0.981 1
1 617 . 13 1 1 A 53 53 THR CA C 53 62.600 64.511 -1.911 1
1 618 . 13 1 1 A 53 53 THR CB C 53 70.800 69.648 1.152 1
1 620 . 13 1 1 A 53 53 THR N N 53 107.400 111.886 -4.486 1
1 621 . 13 1 1 A 54 54 VAL H H 54 8.500 8.018 0.482 1
1 622 . 13 1 1 A 54 54 VAL HA H 54 4.540 4.634 -0.094 1
1 630 . 13 1 1 A 54 54 VAL C C 54 179.400 173.497 5.903 1
1 631 . 13 1 1 A 54 54 VAL CA C 54 59.100 58.958 0.142 1
1 632 . 13 1 1 A 54 54 VAL CB C 54 33.500 35.518 -2.018 1
1 635 . 13 1 1 A 54 54 VAL N N 54 125.200 119.471 5.729 1
1 636 . 13 1 1 A 55 55 PRO HA H 55 4.590 4.569 0.021 1
1 643 . 13 1 1 A 55 55 PRO C C 55 179.400 177.660 1.740 1
1 644 . 13 1 1 A 55 55 PRO CA C 55 62.100 62.677 -0.577 1
1 645 . 13 1 1 A 55 55 PRO CB C 55 32.900 32.221 0.679 1
1 648 . 13 1 1 A 56 56 TRP H H 56 8.690 8.622 0.068 1
1 649 . 13 1 1 A 56 56 TRP HA H 56 3.990 4.332 -0.342 1
1 657 . 13 1 1 A 56 56 TRP C C 56 177.500 178.005 -0.505 1
1 658 . 13 1 1 A 56 56 TRP CA C 56 61.000 60.164 0.836 1
1 659 . 13 1 1 A 56 56 TRP CB C 56 27.400 28.864 -1.464 1
1 664 . 13 1 1 A 56 56 TRP N N 56 122.500 125.397 -2.897 1
1 666 . 13 1 1 A 57 57 GLU H H 57 8.410 8.033 0.377 1
1 667 . 13 1 1 A 57 57 GLU HA H 57 3.270 4.004 -0.734 1
1 672 . 13 1 1 A 57 57 GLU C C 57 178.000 177.020 0.980 1
1 673 . 13 1 1 A 57 57 GLU CA C 57 60.200 58.690 1.510 1
1 674 . 13 1 1 A 57 57 GLU CB C 57 28.200 28.610 -0.410 1
1 676 . 13 1 1 A 57 57 GLU N N 57 120.600 119.109 1.491 1
1 677 . 13 1 1 A 58 58 GLN H H 58 7.600 7.790 -0.190 1
1 678 . 13 1 1 A 58 58 GLN HA H 58 4.170 4.649 -0.479 1
1 683 . 13 1 1 A 58 58 GLN C C 58 175.500 176.258 -0.758 1
1 684 . 13 1 1 A 58 58 GLN CA C 58 56.000 54.584 1.416 1
1 685 . 13 1 1 A 58 58 GLN CB C 58 29.600 29.081 0.519 1
1 687 . 13 1 1 A 58 58 GLN N N 58 114.700 118.475 -3.775 1
1 688 . 13 1 1 A 59 59 LEU H H 59 7.440 8.072 -0.632 1
1 689 . 13 1 1 A 59 59 LEU HA H 59 4.220 4.609 -0.389 1
1 699 . 13 1 1 A 59 59 LEU C C 59 175.100 176.146 -1.046 1
1 700 . 13 1 1 A 59 59 LEU CA C 59 55.600 55.753 -0.153 1
1 701 . 13 1 1 A 59 59 LEU CB C 59 44.700 44.882 -0.182 1
1 705 . 13 1 1 A 59 59 LEU N N 59 119.500 120.593 -1.093 1
1 706 . 13 1 1 A 60 60 LEU H H 60 8.120 7.138 0.982 1
1 707 . 13 1 1 A 60 60 LEU HA H 60 4.410 4.914 -0.504 1
1 717 . 13 1 1 A 60 60 LEU C C 60 176.100 176.044 0.056 1
1 718 . 13 1 1 A 60 60 LEU CA C 60 55.400 52.742 2.658 1
1 719 . 13 1 1 A 60 60 LEU CB C 60 42.900 44.845 -1.945 1
1 723 . 13 1 1 A 60 60 LEU N N 60 119.300 115.275 4.025 1
1 724 . 13 1 1 A 61 61 ASN H H 61 9.120 8.288 0.832 1
1 729 . 13 1 1 A 61 61 ASN C C 61 175.600 174.977 0.623 1
1 730 . 13 1 1 A 61 61 ASN CA C 61 51.300 53.821 -2.521 1
1 731 . 13 1 1 A 61 61 ASN CB C 61 36.800 38.882 -2.082 1
1 732 . 13 1 1 A 61 61 ASN N N 61 124.900 117.508 7.392 1
1 734 . 13 1 1 A 62 62 ARG H H 62 8.140 9.028 -0.888 1
1 735 . 13 1 1 A 62 62 ARG HA H 62 3.450 4.354 -0.904 1
1 742 . 13 1 1 A 62 62 ARG C C 62 175.200 176.536 -1.336 1
1 743 . 13 1 1 A 62 62 ARG CA C 62 57.600 56.225 1.375 1
1 744 . 13 1 1 A 62 62 ARG CB C 62 30.200 31.544 -1.344 1
1 747 . 13 1 1 A 62 62 ARG N N 62 125.500 121.769 3.731 1
1 748 . 13 1 1 A 63 63 ALA H H 63 7.610 7.745 -0.135 1
1 749 . 13 1 1 A 63 63 ALA HA H 63 4.460 4.387 0.073 1
1 753 . 13 1 1 A 63 63 ALA C C 63 178.300 177.189 1.111 1
1 754 . 13 1 1 A 63 63 ALA CA C 63 51.800 51.429 0.371 1
1 755 . 13 1 1 A 63 63 ALA CB C 63 19.300 18.829 0.471 1
1 756 . 13 1 1 A 63 63 ALA N N 63 118.600 120.842 -2.242 1
1 757 . 13 1 1 A 64 64 GLY H H 64 7.150 8.417 -1.267 1
1 758 . 13 1 1 A 64 64 GLY HA2 H 64 4.410 4.090 0.320 1
1 759 . 13 1 1 A 64 64 GLY HA3 H 64 4.020 4.101 -0.081 1
1 760 . 13 1 1 A 64 64 GLY C C 64 173.500 174.832 -1.332 1
1 761 . 13 1 1 A 64 64 GLY CA C 64 45.400 44.063 1.337 1
1 762 . 13 1 1 A 64 64 GLY N N 64 105.700 107.322 -1.622 1
1 763 . 13 1 1 A 65 65 THR H H 65 8.340 9.039 -0.699 1
1 764 . 13 1 1 A 65 65 THR HA H 65 3.880 4.054 -0.174 1
1 769 . 13 1 1 A 65 65 THR C C 65 176.300 176.358 -0.058 1
1 770 . 13 1 1 A 65 65 THR CA C 65 65.500 65.382 0.118 1
1 771 . 13 1 1 A 65 65 THR CB C 65 69.000 68.365 0.635 1
1 773 . 13 1 1 A 65 65 THR N N 65 113.400 114.454 -1.054 1
1 774 . 13 1 1 A 66 66 THR H H 66 7.940 8.169 -0.229 1
1 775 . 13 1 1 A 66 66 THR HA H 66 3.820 4.057 -0.237 1
1 780 . 13 1 1 A 66 66 THR C C 66 176.100 176.718 -0.618 1
1 781 . 13 1 1 A 66 66 THR CA C 66 67.000 65.581 1.419 1
1 782 . 13 1 1 A 66 66 THR CB C 66 68.000 67.884 0.116 1
1 784 . 13 1 1 A 66 66 THR N N 66 116.200 114.524 1.676 1
1 785 . 13 1 1 A 67 67 PHE H H 67 8.720 8.302 0.418 1
1 786 . 13 1 1 A 67 67 PHE HA H 67 4.130 4.038 0.092 1
1 793 . 13 1 1 A 67 67 PHE C C 67 176.900 177.241 -0.341 1
1 794 . 13 1 1 A 67 67 PHE CA C 67 61.500 61.410 0.090 1
1 795 . 13 1 1 A 67 67 PHE CB C 67 39.800 39.054 0.746 1
1 800 . 13 1 1 A 67 67 PHE N N 67 122.400 123.466 -1.066 1
1 801 . 13 1 1 A 68 68 ARG H H 68 7.750 7.796 -0.046 1
1 802 . 13 1 1 A 68 68 ARG HA H 68 3.790 4.427 -0.637 1
1 809 . 13 1 1 A 68 68 ARG C C 68 176.800 178.334 -1.534 1
1 810 . 13 1 1 A 68 68 ARG CA C 68 59.200 58.111 1.089 1
1 811 . 13 1 1 A 68 68 ARG CB C 68 30.200 29.919 0.281 1
1 814 . 13 1 1 A 68 68 ARG N N 68 114.400 117.705 -3.305 1
1 815 . 13 1 1 A 69 69 LYS H H 69 7.360 7.586 -0.226 1
1 816 . 13 1 1 A 69 69 LYS HA H 69 4.190 4.049 0.141 1
1 819 . 13 1 1 A 69 69 LYS C C 69 177.400 176.219 1.181 1
1 820 . 13 1 1 A 69 69 LYS CA C 69 56.700 59.108 -2.408 1
1 821 . 13 1 1 A 69 69 LYS CB C 69 33.000 32.496 0.504 1
1 825 . 13 1 1 A 69 69 LYS N N 69 115.600 119.698 -4.098 1
1 826 . 13 1 1 A 70 70 LEU H H 70 7.440 7.618 -0.178 1
1 827 . 13 1 1 A 70 70 LEU HA H 70 4.350 4.514 -0.164 1
1 830 . 13 1 1 A 70 70 LEU CA C 70 53.800 52.245 1.555 1
1 831 . 13 1 1 A 70 70 LEU CB C 70 41.000 41.798 -0.798 1
1 832 . 13 1 1 A 70 70 LEU N N 70 121.400 120.546 0.854 1
1 833 . 13 1 1 A 71 71 PRO HA H 71 4.460 4.558 -0.098 1
1 840 . 13 1 1 A 71 71 PRO C C 71 177.500 177.101 0.399 1
1 841 . 13 1 1 A 71 71 PRO CA C 71 62.800 62.294 0.506 1
1 842 . 13 1 1 A 71 71 PRO CB C 71 32.600 33.365 -0.765 1
1 845 . 13 1 1 A 72 72 GLU H H 72 9.010 8.770 0.240 1
1 846 . 13 1 1 A 72 72 GLU HA H 72 3.650 4.049 -0.399 1
1 851 . 13 1 1 A 72 72 GLU C C 72 177.600 178.591 -0.991 1
1 852 . 13 1 1 A 72 72 GLU CA C 72 60.500 59.291 1.209 1
1 853 . 13 1 1 A 72 72 GLU CB C 72 29.900 29.107 0.793 1
1 855 . 13 1 1 A 72 72 GLU N N 72 124.100 121.789 2.311 1
1 856 . 13 1 1 A 73 73 ASP H H 73 8.860 8.148 0.712 1
1 857 . 13 1 1 A 73 73 ASP HA H 73 4.290 4.385 -0.095 1
1 860 . 13 1 1 A 73 73 ASP C C 73 177.600 178.709 -1.109 1
1 861 . 13 1 1 A 73 73 ASP CA C 73 56.700 57.263 -0.563 1
1 862 . 13 1 1 A 73 73 ASP CB C 73 39.300 40.964 -1.664 1
1 863 . 13 1 1 A 73 73 ASP N N 73 116.200 120.392 -4.192 1
1 864 . 13 1 1 A 74 74 VAL H H 74 7.120 8.083 -0.963 1
1 865 . 13 1 1 A 74 74 VAL HA H 74 3.740 3.436 0.304 1
1 873 . 13 1 1 A 74 74 VAL C C 74 178.200 177.617 0.583 1
1 874 . 13 1 1 A 74 74 VAL CA C 74 65.000 66.870 -1.870 1
1 875 . 13 1 1 A 74 74 VAL CB C 74 32.100 31.298 0.802 1
1 878 . 13 1 1 A 74 74 VAL N N 74 120.400 120.131 0.269 1
1 879 . 13 1 1 A 75 75 ARG H H 75 7.700 7.922 -0.222 1
1 880 . 13 1 1 A 75 75 ARG HA H 75 3.790 3.949 -0.159 1
1 887 . 13 1 1 A 75 75 ARG C C 75 178.500 178.256 0.244 1
1 888 . 13 1 1 A 75 75 ARG CA C 75 59.600 59.066 0.534 1
1 889 . 13 1 1 A 75 75 ARG CB C 75 31.100 29.865 1.235 1
1 892 . 13 1 1 A 75 75 ARG N N 75 115.900 119.805 -3.905 1
1 893 . 13 1 1 A 76 76 SER H H 76 8.260 7.906 0.354 1
1 894 . 13 1 1 A 76 76 SER HA H 76 4.380 4.268 0.112 1
1 897 . 13 1 1 A 76 76 SER C C 76 174.700 175.705 -1.005 1
1 898 . 13 1 1 A 76 76 SER CA C 76 60.500 61.059 -0.559 1
1 899 . 13 1 1 A 76 76 SER CB C 76 63.500 63.101 0.399 1
1 900 . 13 1 1 A 76 76 SER N N 76 111.800 115.771 -3.971 1
1 901 . 13 1 1 A 77 77 ASN H H 77 7.380 7.507 -0.127 1
1 902 . 13 1 1 A 77 77 ASN HA H 77 5.010 4.911 0.099 1
1 907 . 13 1 1 A 77 77 ASN C C 77 174.300 174.714 -0.414 1
1 908 . 13 1 1 A 77 77 ASN CA C 77 52.600 52.913 -0.313 1
1 909 . 13 1 1 A 77 77 ASN CB C 77 39.800 38.653 1.147 1
1 910 . 13 1 1 A 77 77 ASN N N 77 118.000 116.935 1.065 1
1 912 . 13 1 1 A 78 78 VAL H H 78 7.300 7.361 -0.061 1
1 913 . 13 1 1 A 78 78 VAL HA H 78 3.850 3.993 -0.143 1
1 921 . 13 1 1 A 78 78 VAL C C 78 173.200 174.365 -1.165 1
1 922 . 13 1 1 A 78 78 VAL CA C 78 63.600 62.291 1.309 1
1 923 . 13 1 1 A 78 78 VAL CB C 78 32.100 32.292 -0.192 1
1 926 . 13 1 1 A 78 78 VAL N N 78 121.200 121.195 0.005 1
1 927 . 13 1 1 A 79 79 ASP H H 79 7.660 8.418 -0.758 1
1 928 . 13 1 1 A 79 79 ASP HA H 79 4.380 5.003 -0.623 1
1 931 . 13 1 1 A 79 79 ASP C C 79 173.700 175.979 -2.279 1
1 932 . 13 1 1 A 79 79 ASP CA C 79 51.500 51.961 -0.461 1
1 933 . 13 1 1 A 79 79 ASP CB C 79 41.800 43.222 -1.422 1
1 934 . 13 1 1 A 79 79 ASP N N 79 127.000 127.706 -0.706 1
1 935 . 13 1 1 A 80 80 ALA H H 80 8.110 8.751 -0.641 1
1 936 . 13 1 1 A 80 80 ALA HA H 80 2.420 3.936 -1.516 1
1 940 . 13 1 1 A 80 80 ALA C C 80 178.700 179.693 -0.993 1
1 941 . 13 1 1 A 80 80 ALA CA C 80 55.600 55.428 0.172 1
1 942 . 13 1 1 A 80 80 ALA CB C 80 18.600 18.212 0.388 1
1 943 . 13 1 1 A 80 80 ALA N N 80 119.900 121.712 -1.812 1
1 944 . 13 1 1 A 81 81 ALA H H 81 7.760 8.187 -0.427 1
1 945 . 13 1 1 A 81 81 ALA HA H 81 4.030 3.949 0.081 1
1 949 . 13 1 1 A 81 81 ALA C C 81 180.700 179.902 0.798 1
1 950 . 13 1 1 A 81 81 ALA CA C 81 54.800 55.246 -0.446 1
1 951 . 13 1 1 A 81 81 ALA CB C 81 18.300 18.670 -0.370 1
1 952 . 13 1 1 A 81 81 ALA N N 81 118.500 120.186 -1.686 1
1 953 . 13 1 1 A 82 82 SER H H 82 8.480 8.116 0.364 1
1 954 . 13 1 1 A 82 82 SER HA H 82 4.240 3.990 0.250 1
1 957 . 13 1 1 A 82 82 SER C C 82 177.200 176.210 0.990 1
1 958 . 13 1 1 A 82 82 SER CA C 82 60.300 61.952 -1.652 1
1 959 . 13 1 1 A 82 82 SER CB C 82 62.700 62.770 -0.070 1
1 960 . 13 1 1 A 82 82 SER N N 82 115.300 113.302 1.998 1
1 961 . 13 1 1 A 83 83 ALA H H 83 8.970 7.974 0.996 1
1 962 . 13 1 1 A 83 83 ALA HA H 83 3.820 3.760 0.060 1
1 966 . 13 1 1 A 83 83 ALA C C 83 178.600 180.093 -1.493 1
1 967 . 13 1 1 A 83 83 ALA CA C 83 55.600 55.096 0.504 1
1 968 . 13 1 1 A 83 83 ALA CB C 83 19.400 17.601 1.799 1
1 969 . 13 1 1 A 83 83 ALA N N 83 124.700 123.192 1.508 1
1 970 . 13 1 1 A 84 84 ARG H H 84 7.250 8.438 -1.188 1
1 971 . 13 1 1 A 84 84 ARG HA H 84 3.740 4.082 -0.342 1
1 978 . 13 1 1 A 84 84 ARG C C 84 176.600 179.048 -2.448 1
1 979 . 13 1 1 A 84 84 ARG CA C 84 60.100 59.815 0.285 1
1 980 . 13 1 1 A 84 84 ARG CB C 84 29.900 30.058 -0.158 1
1 983 . 13 1 1 A 84 84 ARG N N 84 116.500 117.438 -0.938 1
1 984 . 13 1 1 A 85 85 GLU H H 85 7.240 8.124 -0.884 1
1 985 . 13 1 1 A 85 85 GLU HA H 85 3.890 4.032 -0.142 1
1 990 . 13 1 1 A 85 85 GLU C C 85 179.800 179.496 0.304 1
1 991 . 13 1 1 A 85 85 GLU CA C 85 59.200 58.599 0.601 1
1 992 . 13 1 1 A 85 85 GLU CB C 85 29.300 29.587 -0.287 1
1 994 . 13 1 1 A 85 85 GLU N N 85 115.600 119.810 -4.210 1
1 995 . 13 1 1 A 86 86 LEU H H 86 8.620 8.523 0.097 1
1 996 . 13 1 1 A 86 86 LEU HA H 86 4.030 3.924 0.106 1
1 1006 . 13 1 1 A 86 86 LEU C C 86 178.600 178.937 -0.337 1
1 1007 . 13 1 1 A 86 86 LEU CA C 86 58.100 57.867 0.233 1
1 1008 . 13 1 1 A 86 86 LEU CB C 86 42.200 41.258 0.942 1
1 1012 . 13 1 1 A 86 86 LEU N N 86 120.800 120.564 0.236 1
1 1013 . 13 1 1 A 87 87 MET H H 87 7.840 8.064 -0.224 1
1 1014 . 13 1 1 A 87 87 MET HA H 87 3.680 4.199 -0.519 1
1 1022 . 13 1 1 A 87 87 MET C C 87 175.600 178.273 -2.673 1
1 1023 . 13 1 1 A 87 87 MET CA C 87 60.000 58.818 1.182 1
1 1024 . 13 1 1 A 87 87 MET CB C 87 34.300 32.238 2.062 1
1 1027 . 13 1 1 A 87 87 MET N N 87 116.700 115.902 0.798 1
1 1028 . 13 1 1 A 88 88 LEU H H 88 7.490 8.191 -0.701 1
1 1029 . 13 1 1 A 88 88 LEU HA H 88 3.890 4.012 -0.122 1
1 1039 . 13 1 1 A 88 88 LEU C C 88 179.200 178.194 1.006 1
1 1040 . 13 1 1 A 88 88 LEU CA C 88 57.000 58.511 -1.511 1
1 1041 . 13 1 1 A 88 88 LEU CB C 88 41.800 41.940 -0.140 1
1 1045 . 13 1 1 A 88 88 LEU N N 88 113.400 121.691 -8.291 1
1 1046 . 13 1 1 A 89 89 ALA H H 89 7.690 7.877 -0.187 1
1 1047 . 13 1 1 A 89 89 ALA HA H 89 4.210 4.218 -0.008 1
1 1051 . 13 1 1 A 89 89 ALA C C 89 179.100 178.041 1.059 1
1 1052 . 13 1 1 A 89 89 ALA CA C 89 54.100 54.593 -0.493 1
1 1053 . 13 1 1 A 89 89 ALA CB C 89 19.200 18.845 0.355 1
1 1054 . 13 1 1 A 89 89 ALA N N 89 119.100 119.888 -0.788 1
1 1055 . 13 1 1 A 90 90 GLN H H 90 8.100 7.666 0.434 1
1 1062 . 13 1 1 A 90 90 GLN CA C 90 53.400 53.678 -0.278 1
1 1063 . 13 1 1 A 90 90 GLN CB C 90 30.900 29.471 1.429 1
1 1064 . 13 1 1 A 90 90 GLN N N 90 115.100 116.696 -1.596 1
1 1066 . 13 1 1 A 91 91 PRO HA H 91 4.530 4.530 0.000 1
1 1073 . 13 1 1 A 91 91 PRO C C 91 178.300 177.401 0.899 1
1 1074 . 13 1 1 A 91 91 PRO CA C 91 64.300 64.301 -0.001 1
1 1075 . 13 1 1 A 91 91 PRO CB C 91 31.800 31.762 0.038 1
1 1078 . 13 1 1 A 92 92 SER H H 92 8.510 8.161 0.349 1
1 1079 . 13 1 1 A 92 92 SER HA H 92 4.310 4.169 0.141 1
1 1082 . 13 1 1 A 92 92 SER C C 92 174.200 175.440 -1.240 1
1 1083 . 13 1 1 A 92 92 SER CA C 92 62.000 60.089 1.911 1
1 1084 . 13 1 1 A 92 92 SER CB C 92 62.500 62.553 -0.053 1
1 1085 . 13 1 1 A 92 92 SER N N 92 115.000 113.223 1.777 1
1 1086 . 13 1 1 A 93 93 MET H H 93 8.790 7.610 1.180 1
1 1087 . 13 1 1 A 93 93 MET HA H 93 4.560 4.477 0.083 1
1 1092 . 13 1 1 A 93 93 MET C C 93 174.900 176.158 -1.258 1
1 1093 . 13 1 1 A 93 93 MET CA C 93 56.900 56.209 0.691 1
1 1094 . 13 1 1 A 93 93 MET CB C 93 35.000 32.743 2.257 1
1 1096 . 13 1 1 A 93 93 MET N N 93 118.400 119.363 -0.963 1
1 1097 . 13 1 1 A 94 94 VAL H H 94 7.540 7.338 0.202 1
1 1098 . 13 1 1 A 94 94 VAL HA H 94 4.080 3.973 0.107 1
1 1106 . 13 1 1 A 94 94 VAL C C 94 178.000 175.675 2.325 1
1 1107 . 13 1 1 A 94 94 VAL CA C 94 63.100 61.773 1.327 1
1 1108 . 13 1 1 A 94 94 VAL CB C 94 31.700 32.559 -0.859 1
1 1111 . 13 1 1 A 94 94 VAL N N 94 121.000 117.453 3.547 1
1 1112 . 13 1 1 A 95 95 LYS H H 95 9.550 8.828 0.722 1
1 1113 . 13 1 1 A 95 95 LYS HA H 95 3.940 4.498 -0.558 1
1 1116 . 13 1 1 A 95 95 LYS CA C 95 58.800 56.551 2.249 1
1 1117 . 13 1 1 A 95 95 LYS CB C 95 33.500 33.839 -0.339 1
1 1121 . 13 1 1 A 95 95 LYS N N 95 131.200 123.073 8.127 1
1 1122 . 13 1 1 A 96 96 ARG H H 96 8.260 8.856 -0.596 1
1 1125 . 13 1 1 A 96 96 ARG CA C 96 52.700 54.735 -2.035 1
1 1126 . 13 1 1 A 96 96 ARG CB C 96 34.400 32.945 1.455 1
1 1127 . 13 1 1 A 96 96 ARG N N 96 117.100 118.854 -1.754 1
1 1134 . 13 1 1 A 97 97 PRO C C 97 176.600 175.314 1.286 1
1 1135 . 13 1 1 A 97 97 PRO CA C 97 62.400 62.444 -0.044 1
1 1136 . 13 1 1 A 97 97 PRO CB C 97 34.700 32.696 2.004 1
1 1139 . 13 1 1 A 98 98 VAL H H 98 7.540 8.359 -0.819 1
1 1140 . 13 1 1 A 98 98 VAL HA H 98 4.460 4.949 -0.489 1
1 1148 . 13 1 1 A 98 98 VAL C C 98 173.500 174.615 -1.115 1
1 1149 . 13 1 1 A 98 98 VAL CA C 98 64.000 60.496 3.504 1
1 1150 . 13 1 1 A 98 98 VAL CB C 98 33.600 35.060 -1.460 1
1 1153 . 13 1 1 A 98 98 VAL N N 98 117.800 120.553 -2.753 1
1 1154 . 13 1 1 A 99 99 LEU H H 99 9.030 9.280 -0.250 1
1 1155 . 13 1 1 A 99 99 LEU HA H 99 5.410 5.294 0.116 1
1 1165 . 13 1 1 A 99 99 LEU C C 99 173.800 175.119 -1.319 1
1 1166 . 13 1 1 A 99 99 LEU CA C 99 54.300 52.703 1.597 1
1 1167 . 13 1 1 A 99 99 LEU CB C 99 45.800 43.657 2.143 1
1 1171 . 13 1 1 A 99 99 LEU N N 99 131.400 126.856 4.544 1
1 1172 . 13 1 1 A 100 100 GLU H H 100 9.390 9.262 0.128 1
1 1173 . 13 1 1 A 100 100 GLU HA H 100 5.050 5.447 -0.397 1
1 1178 . 13 1 1 A 100 100 GLU C C 100 174.200 174.977 -0.777 1
1 1179 . 13 1 1 A 100 100 GLU CA C 100 55.300 54.880 0.420 1
1 1180 . 13 1 1 A 100 100 GLU CB C 100 35.600 32.566 3.034 1
1 1182 . 13 1 1 A 100 100 GLU N N 100 125.800 126.296 -0.496 1
1 1183 . 13 1 1 A 101 101 ARG H H 101 7.610 8.758 -1.148 1
1 1184 . 13 1 1 A 101 101 ARG C C 101 175.900 175.099 0.801 1
1 1185 . 13 1 1 A 101 101 ARG CA C 101 56.700 56.008 0.692 1
1 1186 . 13 1 1 A 101 101 ARG CB C 101 32.500 32.905 -0.405 1
1 1189 . 13 1 1 A 101 101 ARG N N 101 125.100 127.084 -1.984 1
1 1190 . 13 1 1 A 102 102 ASP H H 102 10.080 9.510 0.570 1
1 1191 . 13 1 1 A 102 102 ASP HA H 102 4.450 4.263 0.187 1
1 1194 . 13 1 1 A 102 102 ASP C C 102 175.700 175.475 0.225 1
1 1195 . 13 1 1 A 102 102 ASP CA C 102 55.300 55.029 0.271 1
1 1196 . 13 1 1 A 102 102 ASP CB C 102 40.500 39.780 0.720 1
1 1197 . 13 1 1 A 102 102 ASP N N 102 132.000 126.992 5.008 1
1 1198 . 13 1 1 A 103 103 GLY H H 103 8.870 8.610 0.260 1
1 1199 . 13 1 1 A 103 103 GLY HA2 H 103 4.120 3.841 0.279 1
1 1200 . 13 1 1 A 103 103 GLY HA3 H 103 3.830 3.848 -0.018 1
1 1201 . 13 1 1 A 103 103 GLY C C 103 174.000 173.904 0.096 1
1 1202 . 13 1 1 A 103 103 GLY CA C 103 45.600 45.975 -0.375 1
1 1203 . 13 1 1 A 103 103 GLY N N 103 102.900 104.601 -1.701 1
1 1204 . 13 1 1 A 104 104 LYS H H 104 8.130 7.537 0.593 1
1 1205 . 13 1 1 A 104 104 LYS HA H 104 4.650 4.733 -0.083 1
1 1208 . 13 1 1 A 104 104 LYS C C 104 176.500 174.539 1.961 1
1 1209 . 13 1 1 A 104 104 LYS CA C 104 55.500 54.983 0.517 1
1 1210 . 13 1 1 A 104 104 LYS CB C 104 32.600 34.815 -2.215 1
1 1214 . 13 1 1 A 104 104 LYS N N 104 122.400 120.985 1.415 1
1 1215 . 13 1 1 A 105 105 LEU H H 105 8.920 8.838 0.082 1
1 1216 . 13 1 1 A 105 105 LEU HA H 105 5.420 5.130 0.290 1
1 1226 . 13 1 1 A 105 105 LEU C C 105 177.200 174.775 2.425 1
1 1227 . 13 1 1 A 105 105 LEU CA C 105 54.300 53.917 0.383 1
1 1228 . 13 1 1 A 105 105 LEU CB C 105 45.400 44.203 1.197 1
1 1232 . 13 1 1 A 105 105 LEU N N 105 129.200 129.172 0.028 1
1 1233 . 13 1 1 A 106 106 MET H H 106 8.860 9.060 -0.200 1
1 1234 . 13 1 1 A 106 106 MET HA H 106 4.580 5.141 -0.561 1
1 1239 . 13 1 1 A 106 106 MET C C 106 174.500 174.372 0.128 1
1 1240 . 13 1 1 A 106 106 MET CA C 106 55.300 54.154 1.146 1
1 1241 . 13 1 1 A 106 106 MET CB C 106 36.500 36.025 0.475 1
1 1243 . 13 1 1 A 106 106 MET N N 106 121.500 126.668 -5.168 1
1 1244 . 13 1 1 A 107 107 VAL H H 107 9.180 8.553 0.627 1
1 1245 . 13 1 1 A 107 107 VAL HA H 107 4.690 4.283 0.407 1
1 1253 . 13 1 1 A 107 107 VAL C C 107 176.200 175.738 0.462 1
1 1254 . 13 1 1 A 107 107 VAL CA C 107 61.400 60.888 0.512 1
1 1255 . 13 1 1 A 107 107 VAL CB C 107 33.400 33.203 0.197 1
1 1258 . 13 1 1 A 107 107 VAL N N 107 129.500 125.704 3.796 1
1 1259 . 13 1 1 A 108 108 GLY H H 108 8.730 8.372 0.358 1
1 1260 . 13 1 1 A 108 108 GLY HA2 H 108 4.430 3.602 0.828 1
1 1261 . 13 1 1 A 108 108 GLY HA3 H 108 3.850 3.760 0.090 1
1 1262 . 13 1 1 A 108 108 GLY CA C 108 43.800 44.431 -0.631 1
1 1263 . 13 1 1 A 108 108 GLY N N 108 113.600 112.467 1.133 1
1 1271 . 13 1 1 A 109 109 PHE C C 109 172.700 175.205 -2.505 1
1 1272 . 13 1 1 A 109 109 PHE CA C 109 58.900 56.520 2.380 1
1 1273 . 13 1 1 A 109 109 PHE CB C 109 42.100 43.334 -1.234 1
1 1279 . 13 1 1 A 110 110 LYS H H 110 6.510 8.554 -2.044 1
1 1282 . 13 1 1 A 110 110 LYS CA C 110 53.500 55.196 -1.696 1
1 1283 . 13 1 1 A 110 110 LYS CB C 110 34.800 32.118 2.682 1
1 1284 . 13 1 1 A 110 110 LYS N N 110 126.600 121.444 5.156 1
1 1285 . 13 1 1 A 111 111 PRO HA H 111 3.360 4.241 -0.881 1
1 1292 . 13 1 1 A 111 111 PRO C C 111 177.100 178.639 -1.539 1
1 1293 . 13 1 1 A 111 111 PRO CA C 111 66.600 65.786 0.814 1
1 1294 . 13 1 1 A 111 111 PRO CB C 111 31.700 31.811 -0.111 1
1 1297 . 13 1 1 A 112 112 ALA H H 112 8.450 8.342 0.108 1
1 1298 . 13 1 1 A 112 112 ALA HA H 112 4.140 4.113 0.027 1
1 1302 . 13 1 1 A 112 112 ALA C C 112 180.300 180.674 -0.374 1
1 1303 . 13 1 1 A 112 112 ALA CA C 112 54.900 55.419 -0.519 1
1 1304 . 13 1 1 A 112 112 ALA CB C 112 18.800 18.496 0.304 1
1 1305 . 13 1 1 A 112 112 ALA N N 112 116.200 118.664 -2.464 1
1 1306 . 13 1 1 A 113 113 GLN H H 113 6.880 7.819 -0.939 1
1 1307 . 13 1 1 A 113 113 GLN HA H 113 4.130 4.079 0.051 1
1 1314 . 13 1 1 A 113 113 GLN C C 113 178.400 178.277 0.123 1
1 1315 . 13 1 1 A 113 113 GLN CA C 113 60.100 59.131 0.969 1
1 1316 . 13 1 1 A 113 113 GLN CB C 113 29.100 28.693 0.407 1
1 1318 . 13 1 1 A 113 113 GLN N N 113 118.200 117.551 0.649 1
1 1320 . 13 1 1 A 114 114 TYR H H 114 7.600 8.246 -0.646 1
1 1321 . 13 1 1 A 114 114 TYR HA H 114 3.800 4.172 -0.372 1
1 1328 . 13 1 1 A 114 114 TYR C C 114 177.100 178.139 -1.039 1
1 1329 . 13 1 1 A 114 114 TYR CA C 114 61.700 61.409 0.291 1
1 1330 . 13 1 1 A 114 114 TYR CB C 114 33.200 38.489 -5.289 1
1 1335 . 13 1 1 A 114 114 TYR N N 114 124.900 121.236 3.664 1
1 1336 . 13 1 1 A 115 115 GLU H H 115 8.610 8.537 0.073 1
1 1337 . 13 1 1 A 115 115 GLU HA H 115 4.160 4.410 -0.250 1
1 1342 . 13 1 1 A 115 115 GLU C C 115 178.800 178.810 -0.010 1
1 1343 . 13 1 1 A 115 115 GLU CA C 115 60.100 59.692 0.408 1
1 1344 . 13 1 1 A 115 115 GLU CB C 115 30.000 30.150 -0.150 1
1 1346 . 13 1 1 A 115 115 GLU N N 115 119.300 118.910 0.390 1
1 1347 . 13 1 1 A 116 116 ALA H H 116 7.390 8.107 -0.717 1
1 1348 . 13 1 1 A 116 116 ALA HA H 116 4.210 4.159 0.051 1
1 1352 . 13 1 1 A 116 116 ALA C C 116 179.700 179.326 0.374 1
1 1353 . 13 1 1 A 116 116 ALA CA C 116 54.600 55.101 -0.501 1
1 1354 . 13 1 1 A 116 116 ALA CB C 116 18.200 18.630 -0.430 1
1 1355 . 13 1 1 A 116 116 ALA N N 116 118.200 122.689 -4.489 1
1 1356 . 13 1 1 A 117 117 TYR H H 117 7.780 8.499 -0.719 1
1 1357 . 13 1 1 A 117 117 TYR HA H 117 3.890 4.253 -0.363 1
1 1364 . 13 1 1 A 117 117 TYR C C 117 177.300 178.315 -1.015 1
1 1365 . 13 1 1 A 117 117 TYR CA C 117 61.100 61.263 -0.163 1
1 1366 . 13 1 1 A 117 117 TYR CB C 117 39.200 38.641 0.559 1
1 1371 . 13 1 1 A 117 117 TYR N N 117 120.200 117.233 2.967 1
1 1372 . 13 1 1 A 118 118 PHE H H 118 7.960 8.265 -0.305 1
1 1379 . 13 1 1 A 118 118 PHE C C 118 174.900 176.236 -1.336 1
1 1380 . 13 1 1 A 118 118 PHE CA C 118 57.850 61.156 -3.306 1
1 1381 . 13 1 1 A 118 118 PHE CB C 118 39.100 39.406 -0.306 1
1 1386 . 13 1 1 A 118 118 PHE N N 118 113.100 120.321 -7.221 1
1 1387 . 13 1 1 A 119 119 LYS H H 119 7.670 7.652 0.018 1
1 1388 . 13 1 1 A 119 119 LYS HA H 119 4.210 4.303 -0.093 1
1 1397 . 13 1 1 A 119 119 LYS CA C 119 57.300 56.103 1.197 1
1 1398 . 13 1 1 A 119 119 LYS CB C 119 31.200 33.619 -2.419 1
1 1402 . 13 1 1 A 119 119 LYS N N 119 120.200 119.252 0.948 1
1 1 . 14 1 1 A 2 2 PRO HA H 2 4.500 4.269 0.231 1
1 8 . 14 1 1 A 2 2 PRO C C 2 177.500 176.960 0.540 1
1 9 . 14 1 1 A 2 2 PRO CA C 2 63.500 63.430 0.070 1
1 10 . 14 1 1 A 2 2 PRO CB C 2 32.200 32.723 -0.523 1
1 13 . 14 1 1 A 3 3 GLY H H 3 8.113 8.549 -0.436 1
1 14 . 14 1 1 A 3 3 GLY HA2 H 3 4.060 4.163 -0.103 1
1 15 . 14 1 1 A 3 3 GLY HA3 H 3 4.030 4.165 -0.135 1
1 16 . 14 1 1 A 3 3 GLY CA C 3 45.300 44.586 0.714 1
1 17 . 14 1 1 A 3 3 GLY N N 3 110.500 110.659 -0.159 1
1 18 . 14 1 1 A 4 4 SER H H 4 8.280 8.554 -0.274 1
1 19 . 14 1 1 A 4 4 SER HA H 4 4.520 4.410 0.110 1
1 22 . 14 1 1 A 4 4 SER C C 4 178.100 174.781 3.319 1
1 23 . 14 1 1 A 4 4 SER CA C 4 58.600 59.996 -1.396 1
1 24 . 14 1 1 A 4 4 SER CB C 4 63.800 64.709 -0.909 1
1 25 . 14 1 1 A 4 4 SER N N 4 115.900 117.213 -1.313 1
1 26 . 14 1 1 A 5 5 MET H H 5 8.680 8.117 0.563 1
1 27 . 14 1 1 A 5 5 MET HA H 5 4.700 4.104 0.596 1
1 32 . 14 1 1 A 5 5 MET C C 5 174.800 174.744 0.056 1
1 33 . 14 1 1 A 5 5 MET CA C 5 54.900 56.230 -1.330 1
1 34 . 14 1 1 A 5 5 MET CB C 5 32.500 31.234 1.266 1
1 36 . 14 1 1 A 5 5 MET N N 5 121.500 120.615 0.885 1
1 37 . 14 1 1 A 6 6 SER H H 6 8.220 7.603 0.617 1
1 38 . 14 1 1 A 6 6 SER HA H 6 4.580 5.112 -0.532 1
1 41 . 14 1 1 A 6 6 SER C C 6 174.200 172.369 1.831 1
1 42 . 14 1 1 A 6 6 SER CA C 6 59.100 57.415 1.685 1
1 43 . 14 1 1 A 6 6 SER CB C 6 63.800 66.560 -2.760 1
1 44 . 14 1 1 A 6 6 SER N N 6 117.000 113.594 3.406 1
1 45 . 14 1 1 A 7 7 VAL H H 7 8.750 8.294 0.456 1
1 46 . 14 1 1 A 7 7 VAL HA H 7 4.840 4.438 0.402 1
1 54 . 14 1 1 A 7 7 VAL C C 7 175.800 174.424 1.376 1
1 55 . 14 1 1 A 7 7 VAL CA C 7 61.800 60.800 1.000 1
1 56 . 14 1 1 A 7 7 VAL CB C 7 33.800 33.381 0.419 1
1 59 . 14 1 1 A 7 7 VAL N N 7 124.100 122.411 1.689 1
1 60 . 14 1 1 A 8 8 THR H H 8 8.880 8.607 0.273 1
1 61 . 14 1 1 A 8 8 THR HA H 8 5.360 4.650 0.710 1
1 66 . 14 1 1 A 8 8 THR C C 8 172.500 172.843 -0.343 1
1 67 . 14 1 1 A 8 8 THR CA C 8 61.700 61.766 -0.066 1
1 68 . 14 1 1 A 8 8 THR CB C 8 70.600 69.991 0.609 1
1 70 . 14 1 1 A 8 8 THR N N 8 124.500 122.434 2.066 1
1 71 . 14 1 1 A 9 9 ILE H H 9 9.170 9.180 -0.010 1
1 72 . 14 1 1 A 9 9 ILE HA H 9 5.610 5.511 0.099 1
1 82 . 14 1 1 A 9 9 ILE C C 9 172.500 173.380 -0.880 1
1 83 . 14 1 1 A 9 9 ILE CA C 9 58.300 58.502 -0.202 1
1 84 . 14 1 1 A 9 9 ILE CB C 9 42.400 41.382 1.018 1
1 88 . 14 1 1 A 9 9 ILE N N 9 123.900 128.370 -4.470 1
1 89 . 14 1 1 A 10 10 TYR H H 10 9.740 9.407 0.333 1
1 90 . 14 1 1 A 10 10 TYR HA H 10 5.410 5.558 -0.148 1
1 95 . 14 1 1 A 10 10 TYR C C 10 177.500 175.825 1.675 1
1 96 . 14 1 1 A 10 10 TYR CA C 10 56.500 55.733 0.767 1
1 97 . 14 1 1 A 10 10 TYR CB C 10 40.300 41.123 -0.823 1
1 100 . 14 1 1 A 10 10 TYR N N 10 125.300 127.891 -2.591 1
1 101 . 14 1 1 A 11 11 GLY H H 11 7.880 8.218 -0.338 1
1 102 . 14 1 1 A 11 11 GLY HA2 H 11 4.700 4.403 0.297 1
1 103 . 14 1 1 A 11 11 GLY HA3 H 11 4.700 4.433 0.267 1
1 104 . 14 1 1 A 11 11 GLY C C 11 170.000 172.309 -2.309 1
1 105 . 14 1 1 A 11 11 GLY CA C 11 46.700 46.423 0.277 1
1 106 . 14 1 1 A 11 11 GLY N N 11 108.600 108.693 -0.093 1
1 107 . 14 1 1 A 12 12 ILE H H 12 6.340 8.817 -2.477 1
1 108 . 14 1 1 A 12 12 ILE HA H 12 5.330 4.924 0.406 1
1 118 . 14 1 1 A 12 12 ILE C C 12 175.100 176.650 -1.550 1
1 119 . 14 1 1 A 12 12 ILE CA C 12 59.300 58.870 0.430 1
1 120 . 14 1 1 A 12 12 ILE CB C 12 41.000 41.752 -0.752 1
1 124 . 14 1 1 A 12 12 ILE N N 12 113.300 118.385 -5.085 1
1 125 . 14 1 1 A 13 13 LYS H H 13 9.450 8.765 0.685 1
1 126 . 14 1 1 A 13 13 LYS HA H 13 4.090 4.206 -0.116 1
1 129 . 14 1 1 A 13 13 LYS C C 13 177.800 177.407 0.393 1
1 130 . 14 1 1 A 13 13 LYS CA C 13 59.200 59.116 0.084 1
1 131 . 14 1 1 A 13 13 LYS CB C 13 33.600 32.927 0.673 1
1 133 . 14 1 1 A 13 13 LYS N N 13 120.900 122.482 -1.582 1
1 134 . 14 1 1 A 14 14 ASN H H 14 8.700 7.648 1.052 1
1 135 . 14 1 1 A 14 14 ASN HA H 14 4.690 4.850 -0.160 1
1 140 . 14 1 1 A 14 14 ASN C C 14 173.100 174.547 -1.447 1
1 141 . 14 1 1 A 14 14 ASN CA C 14 52.700 52.339 0.361 1
1 142 . 14 1 1 A 14 14 ASN CB C 14 36.300 37.113 -0.813 1
1 143 . 14 1 1 A 14 14 ASN N N 14 116.600 116.995 -0.395 1
1 145 . 14 1 1 A 15 15 CYS H H 15 7.440 8.214 -0.774 1
1 146 . 14 1 1 A 15 15 CYS HA H 15 4.510 4.890 -0.380 1
1 149 . 14 1 1 A 15 15 CYS CA C 15 59.100 58.220 0.880 1
1 150 . 14 1 1 A 15 15 CYS CB C 15 30.800 31.047 -0.247 1
1 151 . 14 1 1 A 15 15 CYS N N 15 124.400 123.075 1.325 1
1 152 . 14 1 1 A 16 16 ASP HA H 16 4.460 4.798 -0.338 1
1 155 . 14 1 1 A 16 16 ASP C C 16 178.000 177.767 0.233 1
1 156 . 14 1 1 A 16 16 ASP CA C 16 57.500 54.254 3.246 1
1 157 . 14 1 1 A 16 16 ASP CB C 16 41.400 42.627 -1.227 1
1 158 . 14 1 1 A 17 17 THR H H 17 9.210 7.936 1.274 1
1 159 . 14 1 1 A 17 17 THR HA H 17 4.000 3.914 0.086 1
1 164 . 14 1 1 A 17 17 THR C C 17 176.000 177.082 -1.082 1
1 165 . 14 1 1 A 17 17 THR CA C 17 67.400 67.320 0.080 1
1 166 . 14 1 1 A 17 17 THR CB C 17 68.200 67.826 0.374 1
1 168 . 14 1 1 A 17 17 THR N N 17 122.200 116.363 5.837 1
1 169 . 14 1 1 A 18 18 MET H H 18 8.940 8.200 0.740 1
1 170 . 14 1 1 A 18 18 MET HA H 18 3.990 3.981 0.009 1
1 176 . 14 1 1 A 18 18 MET C C 18 178.300 178.464 -0.164 1
1 177 . 14 1 1 A 18 18 MET CA C 18 56.000 59.101 -3.101 1
1 178 . 14 1 1 A 18 18 MET CB C 18 31.400 32.388 -0.988 1
1 181 . 14 1 1 A 18 18 MET N N 18 125.300 118.159 7.141 1
1 182 . 14 1 1 A 19 19 LYS H H 19 8.080 7.989 0.091 1
1 183 . 14 1 1 A 19 19 LYS HA H 19 3.800 3.925 -0.125 1
1 186 . 14 1 1 A 19 19 LYS CA C 19 60.000 59.506 0.494 1
1 187 . 14 1 1 A 19 19 LYS CB C 19 32.500 32.355 0.145 1
1 191 . 14 1 1 A 19 19 LYS N N 19 117.900 120.938 -3.038 1
1 192 . 14 1 1 A 20 20 LYS H H 20 7.510 7.632 -0.122 1
1 193 . 14 1 1 A 20 20 LYS HA H 20 3.790 4.057 -0.267 1
1 198 . 14 1 1 A 20 20 LYS C C 20 178.500 179.011 -0.511 1
1 199 . 14 1 1 A 20 20 LYS CA C 20 59.500 59.737 -0.237 1
1 200 . 14 1 1 A 20 20 LYS CB C 20 32.800 32.395 0.405 1
1 204 . 14 1 1 A 20 20 LYS N N 20 117.500 118.918 -1.418 1
1 205 . 14 1 1 A 21 21 ALA H H 21 7.730 8.265 -0.535 1
1 206 . 14 1 1 A 21 21 ALA HA H 21 2.540 4.066 -1.526 1
1 210 . 14 1 1 A 21 21 ALA C C 21 178.700 179.950 -1.250 1
1 211 . 14 1 1 A 21 21 ALA CA C 21 54.400 55.336 -0.936 1
1 212 . 14 1 1 A 21 21 ALA CB C 21 19.000 18.132 0.868 1
1 213 . 14 1 1 A 21 21 ALA N N 21 123.600 122.361 1.239 1
1 214 . 14 1 1 A 22 22 ARG H H 22 8.110 8.153 -0.043 1
1 215 . 14 1 1 A 22 22 ARG HA H 22 3.490 3.971 -0.481 1
1 222 . 14 1 1 A 22 22 ARG C C 22 178.200 178.819 -0.619 1
1 223 . 14 1 1 A 22 22 ARG CA C 22 60.500 59.328 1.172 1
1 224 . 14 1 1 A 22 22 ARG CB C 22 30.700 29.763 0.937 1
1 227 . 14 1 1 A 22 22 ARG N N 22 116.100 117.523 -1.423 1
1 228 . 14 1 1 A 23 23 ILE H H 23 7.860 8.096 -0.236 1
1 229 . 14 1 1 A 23 23 ILE HA H 23 3.710 3.763 -0.053 1
1 239 . 14 1 1 A 23 23 ILE C C 23 177.200 178.527 -1.327 1
1 240 . 14 1 1 A 23 23 ILE CA C 23 65.000 65.031 -0.031 1
1 241 . 14 1 1 A 23 23 ILE CB C 23 38.000 37.683 0.317 1
1 245 . 14 1 1 A 23 23 ILE N N 23 119.400 119.284 0.116 1
1 246 . 14 1 1 A 24 24 TRP H H 24 7.880 8.157 -0.277 1
1 247 . 14 1 1 A 24 24 TRP HA H 24 4.270 4.402 -0.132 1
1 256 . 14 1 1 A 24 24 TRP C C 24 176.100 178.296 -2.196 1
1 257 . 14 1 1 A 24 24 TRP CA C 24 63.100 61.174 1.926 1
1 258 . 14 1 1 A 24 24 TRP CB C 24 30.200 29.863 0.337 1
1 264 . 14 1 1 A 24 24 TRP N N 24 121.000 122.379 -1.379 1
1 266 . 14 1 1 A 25 25 LEU H H 25 8.690 8.848 -0.158 1
1 267 . 14 1 1 A 25 25 LEU HA H 25 4.000 4.087 -0.087 1
1 277 . 14 1 1 A 25 25 LEU C C 25 178.600 179.543 -0.943 1
1 278 . 14 1 1 A 25 25 LEU CA C 25 59.700 58.052 1.648 1
1 279 . 14 1 1 A 25 25 LEU CB C 25 41.200 41.200 0.000 1
1 283 . 14 1 1 A 25 25 LEU N N 25 121.800 119.788 2.012 1
1 284 . 14 1 1 A 26 26 GLU H H 26 8.580 8.583 -0.003 1
1 285 . 14 1 1 A 26 26 GLU HA H 26 4.200 4.150 0.050 1
1 290 . 14 1 1 A 26 26 GLU C C 26 181.200 179.092 2.108 1
1 291 . 14 1 1 A 26 26 GLU CA C 26 59.500 59.852 -0.352 1
1 292 . 14 1 1 A 26 26 GLU CB C 26 28.800 29.381 -0.581 1
1 294 . 14 1 1 A 26 26 GLU N N 26 120.600 118.465 2.135 1
1 295 . 14 1 1 A 27 27 ASP H H 27 9.360 8.135 1.225 1
1 296 . 14 1 1 A 27 27 ASP HA H 27 4.270 4.312 -0.042 1
1 299 . 14 1 1 A 27 27 ASP C C 27 177.400 178.647 -1.247 1
1 300 . 14 1 1 A 27 27 ASP CA C 27 56.400 57.116 -0.716 1
1 301 . 14 1 1 A 27 27 ASP CB C 27 40.000 41.349 -1.349 1
1 302 . 14 1 1 A 27 27 ASP N N 27 121.800 119.930 1.870 1
1 303 . 14 1 1 A 28 28 HIS H H 28 7.340 7.984 -0.644 1
1 304 . 14 1 1 A 28 28 HIS HA H 28 4.250 4.244 0.006 1
1 309 . 14 1 1 A 28 28 HIS C C 28 173.600 175.313 -1.713 1
1 310 . 14 1 1 A 28 28 HIS CA C 28 56.700 58.263 -1.563 1
1 311 . 14 1 1 A 28 28 HIS CB C 28 27.500 30.314 -2.814 1
1 314 . 14 1 1 A 28 28 HIS N N 28 113.400 118.790 -5.390 1
1 315 . 14 1 1 A 29 29 GLY H H 29 7.790 7.794 -0.004 1
1 316 . 14 1 1 A 29 29 GLY HA2 H 29 3.870 3.887 -0.017 1
1 317 . 14 1 1 A 29 29 GLY HA3 H 29 3.870 3.893 -0.023 1
1 318 . 14 1 1 A 29 29 GLY C C 29 174.200 174.069 0.131 1
1 319 . 14 1 1 A 29 29 GLY CA C 29 46.900 45.472 1.428 1
1 320 . 14 1 1 A 29 29 GLY N N 29 109.400 106.970 2.430 1
1 321 . 14 1 1 A 30 30 ILE H H 30 8.120 8.170 -0.050 1
1 322 . 14 1 1 A 30 30 ILE HA H 30 4.040 4.733 -0.693 1
1 332 . 14 1 1 A 30 30 ILE C C 30 175.500 174.358 1.142 1
1 333 . 14 1 1 A 30 30 ILE CA C 30 60.000 60.108 -0.108 1
1 334 . 14 1 1 A 30 30 ILE CB C 30 38.100 40.029 -1.929 1
1 338 . 14 1 1 A 30 30 ILE N N 30 121.800 121.900 -0.100 1
1 339 . 14 1 1 A 31 31 ASP H H 31 8.430 8.904 -0.474 1
1 340 . 14 1 1 A 31 31 ASP HA H 31 4.650 5.385 -0.735 1
1 343 . 14 1 1 A 31 31 ASP C C 31 175.800 174.831 0.969 1
1 344 . 14 1 1 A 31 31 ASP CA C 31 54.600 52.749 1.851 1
1 345 . 14 1 1 A 31 31 ASP CB C 31 41.600 44.325 -2.725 1
1 346 . 14 1 1 A 31 31 ASP N N 31 128.500 126.338 2.162 1
1 347 . 14 1 1 A 32 32 TYR H H 32 7.920 9.415 -1.495 1
1 348 . 14 1 1 A 32 32 TYR HA H 32 5.500 5.198 0.302 1
1 355 . 14 1 1 A 32 32 TYR C C 32 173.800 175.510 -1.710 1
1 356 . 14 1 1 A 32 32 TYR CA C 32 56.100 56.510 -0.410 1
1 357 . 14 1 1 A 32 32 TYR CB C 32 41.700 41.622 0.078 1
1 362 . 14 1 1 A 32 32 TYR N N 32 117.500 125.979 -8.479 1
1 363 . 14 1 1 A 33 33 THR H H 33 8.900 8.681 0.219 1
1 364 . 14 1 1 A 33 33 THR HA H 33 4.470 4.516 -0.046 1
1 369 . 14 1 1 A 33 33 THR C C 33 172.900 173.739 -0.839 1
1 370 . 14 1 1 A 33 33 THR CA C 33 61.800 62.301 -0.501 1
1 371 . 14 1 1 A 33 33 THR CB C 33 70.800 68.770 2.030 1
1 373 . 14 1 1 A 33 33 THR N N 33 117.100 118.217 -1.117 1
1 374 . 14 1 1 A 34 34 PHE H H 34 9.280 9.065 0.215 1
1 375 . 14 1 1 A 34 34 PHE HA H 34 5.520 4.731 0.789 1
1 383 . 14 1 1 A 34 34 PHE CA C 34 53.900 57.905 -4.005 1
1 384 . 14 1 1 A 34 34 PHE CB C 34 39.900 39.371 0.529 1
1 390 . 14 1 1 A 34 34 PHE N N 34 128.200 128.532 -0.332 1
1 391 . 14 1 1 A 35 35 HIS H H 35 9.210 8.740 0.470 1
1 392 . 14 1 1 A 35 35 HIS HA H 35 4.240 4.580 -0.340 1
1 397 . 14 1 1 A 35 35 HIS CA C 35 54.900 53.449 1.451 1
1 398 . 14 1 1 A 35 35 HIS CB C 35 30.700 32.097 -1.397 1
1 401 . 14 1 1 A 35 35 HIS N N 35 133.900 125.230 8.670 1
1 402 . 14 1 1 A 36 36 ASP H H 36 7.930 8.342 -0.412 1
1 403 . 14 1 1 A 36 36 ASP HA H 36 4.470 4.867 -0.397 1
1 406 . 14 1 1 A 36 36 ASP C C 36 178.500 176.481 2.019 1
1 407 . 14 1 1 A 36 36 ASP CA C 36 50.900 52.488 -1.588 1
1 408 . 14 1 1 A 36 36 ASP CB C 36 42.200 42.407 -0.207 1
1 409 . 14 1 1 A 36 36 ASP N N 36 127.000 123.938 3.062 1
1 410 . 14 1 1 A 37 37 TYR H H 37 9.290 8.797 0.493 1
1 417 . 14 1 1 A 37 37 TYR C C 37 178.700 178.052 0.648 1
1 418 . 14 1 1 A 37 37 TYR CA C 37 58.700 60.682 -1.982 1
1 419 . 14 1 1 A 37 37 TYR CB C 37 39.100 38.001 1.099 1
1 424 . 14 1 1 A 37 37 TYR N N 37 126.400 125.019 1.381 1
1 425 . 14 1 1 A 38 38 LYS H H 38 8.880 7.972 0.908 1
1 426 . 14 1 1 A 38 38 LYS HA H 38 4.300 4.272 0.028 1
1 429 . 14 1 1 A 38 38 LYS CA C 38 57.700 59.062 -1.362 1
1 430 . 14 1 1 A 38 38 LYS CB C 38 31.600 32.639 -1.039 1
1 434 . 14 1 1 A 38 38 LYS N N 38 115.800 120.016 -4.216 1
1 435 . 14 1 1 A 39 39 LYS H H 39 7.330 7.988 -0.658 1
1 436 . 14 1 1 A 39 39 LYS HA H 39 4.420 3.951 0.469 1
1 443 . 14 1 1 A 39 39 LYS CA C 39 57.500 59.810 -2.310 1
1 444 . 14 1 1 A 39 39 LYS CB C 39 34.600 32.200 2.400 1
1 448 . 14 1 1 A 39 39 LYS N N 39 118.800 120.046 -1.246 1
1 449 . 14 1 1 A 40 40 GLU H H 40 8.570 8.185 0.385 1
1 450 . 14 1 1 A 40 40 GLU HA H 40 4.280 4.242 0.038 1
1 455 . 14 1 1 A 40 40 GLU CA C 40 57.900 57.889 0.011 1
1 456 . 14 1 1 A 40 40 GLU CB C 40 29.300 30.192 -0.892 1
1 458 . 14 1 1 A 40 40 GLU N N 40 117.600 117.919 -0.319 1
1 459 . 14 1 1 A 41 41 GLY H H 41 7.470 7.811 -0.341 1
1 460 . 14 1 1 A 41 41 GLY HA2 H 41 4.310 3.993 0.317 1
1 461 . 14 1 1 A 41 41 GLY HA3 H 41 4.170 4.002 0.168 1
1 462 . 14 1 1 A 41 41 GLY CA C 41 44.900 45.563 -0.663 1
1 463 . 14 1 1 A 41 41 GLY N N 41 106.300 107.180 -0.880 1
1 464 . 14 1 1 A 42 42 LEU H H 42 8.290 8.466 -0.176 1
1 465 . 14 1 1 A 42 42 LEU HA H 42 4.950 4.757 0.193 1
1 475 . 14 1 1 A 42 42 LEU C C 42 173.800 174.897 -1.097 1
1 476 . 14 1 1 A 42 42 LEU CA C 42 54.500 54.812 -0.312 1
1 477 . 14 1 1 A 42 42 LEU CB C 42 43.400 43.123 0.277 1
1 481 . 14 1 1 A 42 42 LEU N N 42 121.000 124.893 -3.893 1
1 482 . 14 1 1 A 43 43 ASP H H 43 8.520 7.986 0.534 1
1 483 . 14 1 1 A 43 43 ASP HA H 43 4.800 5.052 -0.252 1
1 486 . 14 1 1 A 43 43 ASP C C 43 175.400 176.438 -1.038 1
1 487 . 14 1 1 A 43 43 ASP CA C 43 51.600 51.916 -0.316 1
1 488 . 14 1 1 A 43 43 ASP CB C 43 42.200 44.089 -1.889 1
1 489 . 14 1 1 A 43 43 ASP N N 43 124.800 127.176 -2.376 1
1 490 . 14 1 1 A 44 44 ALA H H 44 8.640 8.711 -0.071 1
1 491 . 14 1 1 A 44 44 ALA HA H 44 3.780 4.032 -0.252 1
1 495 . 14 1 1 A 44 44 ALA C C 44 178.100 179.541 -1.441 1
1 496 . 14 1 1 A 44 44 ALA CA C 44 55.400 55.471 -0.071 1
1 497 . 14 1 1 A 44 44 ALA CB C 44 18.100 18.095 0.005 1
1 498 . 14 1 1 A 44 44 ALA N N 44 122.400 125.527 -3.127 1
1 499 . 14 1 1 A 45 45 GLU H H 45 8.240 8.196 0.044 1
1 500 . 14 1 1 A 45 45 GLU HA H 45 3.920 4.021 -0.101 1
1 505 . 14 1 1 A 45 45 GLU C C 45 179.300 178.992 0.308 1
1 506 . 14 1 1 A 45 45 GLU CA C 45 59.800 59.745 0.055 1
1 507 . 14 1 1 A 45 45 GLU CB C 45 29.200 29.388 -0.188 1
1 509 . 14 1 1 A 45 45 GLU N N 45 115.600 118.697 -3.097 1
1 510 . 14 1 1 A 46 46 THR H H 46 7.910 8.027 -0.117 1
1 511 . 14 1 1 A 46 46 THR HA H 46 3.500 3.823 -0.323 1
1 516 . 14 1 1 A 46 46 THR C C 46 174.300 176.128 -1.828 1
1 517 . 14 1 1 A 46 46 THR CA C 46 66.600 67.319 -0.719 1
1 518 . 14 1 1 A 46 46 THR CB C 46 67.700 68.431 -0.731 1
1 520 . 14 1 1 A 46 46 THR N N 46 117.700 116.852 0.848 1
1 521 . 14 1 1 A 47 47 LEU H H 47 7.710 8.244 -0.534 1
1 522 . 14 1 1 A 47 47 LEU HA H 47 3.510 4.144 -0.634 1
1 532 . 14 1 1 A 47 47 LEU C C 47 178.000 178.168 -0.168 1
1 533 . 14 1 1 A 47 47 LEU CA C 47 57.900 58.338 -0.438 1
1 534 . 14 1 1 A 47 47 LEU CB C 47 41.500 41.471 0.029 1
1 538 . 14 1 1 A 47 47 LEU N N 47 120.400 121.287 -0.887 1
1 539 . 14 1 1 A 48 48 ASP H H 48 9.000 8.630 0.370 1
1 540 . 14 1 1 A 48 48 ASP HA H 48 4.490 4.236 0.254 1
1 543 . 14 1 1 A 48 48 ASP C C 48 179.100 178.811 0.289 1
1 544 . 14 1 1 A 48 48 ASP CA C 48 57.500 57.886 -0.386 1
1 545 . 14 1 1 A 48 48 ASP CB C 48 39.100 41.968 -2.868 1
1 546 . 14 1 1 A 48 48 ASP N N 48 116.800 118.358 -1.558 1
1 547 . 14 1 1 A 49 49 ARG H H 49 7.560 8.062 -0.502 1
1 548 . 14 1 1 A 49 49 ARG HA H 49 4.110 4.032 0.078 1
1 555 . 14 1 1 A 49 49 ARG C C 49 180.100 179.218 0.882 1
1 556 . 14 1 1 A 49 49 ARG CA C 49 60.300 58.989 1.311 1
1 557 . 14 1 1 A 49 49 ARG CB C 49 29.600 29.600 0.000 1
1 560 . 14 1 1 A 49 49 ARG N N 49 122.100 118.208 3.892 1
1 561 . 14 1 1 A 50 50 PHE H H 50 8.300 8.005 0.295 1
1 562 . 14 1 1 A 50 50 PHE HA H 50 4.550 4.337 0.213 1
1 569 . 14 1 1 A 50 50 PHE C C 50 178.400 178.223 0.177 1
1 570 . 14 1 1 A 50 50 PHE CA C 50 57.500 60.447 -2.947 1
1 571 . 14 1 1 A 50 50 PHE CB C 50 36.900 38.489 -1.589 1
1 576 . 14 1 1 A 50 50 PHE N N 50 122.100 119.013 3.087 1
1 577 . 14 1 1 A 51 51 LEU H H 51 8.460 8.589 -0.129 1
1 587 . 14 1 1 A 51 51 LEU CA C 51 55.920 58.214 -2.294 1
1 588 . 14 1 1 A 51 51 LEU CB C 51 42.400 41.382 1.018 1
1 592 . 14 1 1 A 51 51 LEU N N 51 117.000 120.104 -3.104 1
1 593 . 14 1 1 A 52 52 LYS H H 52 7.660 7.806 -0.146 1
1 594 . 14 1 1 A 52 52 LYS HA H 52 4.180 4.139 0.041 1
1 603 . 14 1 1 A 52 52 LYS C C 52 178.300 177.855 0.445 1
1 604 . 14 1 1 A 52 52 LYS CA C 52 58.700 58.809 -0.109 1
1 605 . 14 1 1 A 52 52 LYS CB C 52 32.700 32.211 0.489 1
1 609 . 14 1 1 A 52 52 LYS N N 52 119.100 118.700 0.400 1
1 610 . 14 1 1 A 53 53 THR H H 53 7.430 7.478 -0.048 1
1 611 . 14 1 1 A 53 53 THR HA H 53 4.570 4.427 0.143 1
1 616 . 14 1 1 A 53 53 THR C C 53 173.800 174.338 -0.538 1
1 617 . 14 1 1 A 53 53 THR CA C 53 62.600 64.083 -1.483 1
1 618 . 14 1 1 A 53 53 THR CB C 53 70.800 70.441 0.359 1
1 620 . 14 1 1 A 53 53 THR N N 53 107.400 110.641 -3.241 1
1 621 . 14 1 1 A 54 54 VAL H H 54 8.500 8.095 0.405 1
1 622 . 14 1 1 A 54 54 VAL HA H 54 4.540 4.577 -0.037 1
1 630 . 14 1 1 A 54 54 VAL C C 54 179.400 173.616 5.784 1
1 631 . 14 1 1 A 54 54 VAL CA C 54 59.100 58.821 0.279 1
1 632 . 14 1 1 A 54 54 VAL CB C 54 33.500 34.978 -1.478 1
1 635 . 14 1 1 A 54 54 VAL N N 54 125.200 119.222 5.978 1
1 636 . 14 1 1 A 55 55 PRO HA H 55 4.590 4.623 -0.033 1
1 643 . 14 1 1 A 55 55 PRO C C 55 179.400 177.664 1.736 1
1 644 . 14 1 1 A 55 55 PRO CA C 55 62.100 62.732 -0.632 1
1 645 . 14 1 1 A 55 55 PRO CB C 55 32.900 32.114 0.786 1
1 648 . 14 1 1 A 56 56 TRP H H 56 8.690 8.734 -0.044 1
1 649 . 14 1 1 A 56 56 TRP HA H 56 3.990 4.287 -0.297 1
1 657 . 14 1 1 A 56 56 TRP C C 56 177.500 177.954 -0.454 1
1 658 . 14 1 1 A 56 56 TRP CA C 56 61.000 60.222 0.778 1
1 659 . 14 1 1 A 56 56 TRP CB C 56 27.400 28.706 -1.306 1
1 664 . 14 1 1 A 56 56 TRP N N 56 122.500 125.440 -2.940 1
1 666 . 14 1 1 A 57 57 GLU H H 57 8.410 7.986 0.424 1
1 667 . 14 1 1 A 57 57 GLU HA H 57 3.270 3.799 -0.529 1
1 672 . 14 1 1 A 57 57 GLU C C 57 178.000 176.965 1.035 1
1 673 . 14 1 1 A 57 57 GLU CA C 57 60.200 58.667 1.533 1
1 674 . 14 1 1 A 57 57 GLU CB C 57 28.200 28.444 -0.244 1
1 676 . 14 1 1 A 57 57 GLU N N 57 120.600 118.834 1.766 1
1 677 . 14 1 1 A 58 58 GLN H H 58 7.600 7.799 -0.199 1
1 678 . 14 1 1 A 58 58 GLN HA H 58 4.170 4.613 -0.443 1
1 683 . 14 1 1 A 58 58 GLN C C 58 175.500 176.231 -0.731 1
1 684 . 14 1 1 A 58 58 GLN CA C 58 56.000 54.539 1.461 1
1 685 . 14 1 1 A 58 58 GLN CB C 58 29.600 29.089 0.511 1
1 687 . 14 1 1 A 58 58 GLN N N 58 114.700 118.182 -3.482 1
1 688 . 14 1 1 A 59 59 LEU H H 59 7.440 8.008 -0.568 1
1 689 . 14 1 1 A 59 59 LEU HA H 59 4.220 4.601 -0.381 1
1 699 . 14 1 1 A 59 59 LEU C C 59 175.100 176.141 -1.041 1
1 700 . 14 1 1 A 59 59 LEU CA C 59 55.600 55.531 0.069 1
1 701 . 14 1 1 A 59 59 LEU CB C 59 44.700 44.538 0.162 1
1 705 . 14 1 1 A 59 59 LEU N N 59 119.500 120.662 -1.162 1
1 706 . 14 1 1 A 60 60 LEU H H 60 8.120 6.953 1.167 1
1 707 . 14 1 1 A 60 60 LEU HA H 60 4.410 5.007 -0.597 1
1 717 . 14 1 1 A 60 60 LEU C C 60 176.100 176.042 0.058 1
1 718 . 14 1 1 A 60 60 LEU CA C 60 55.400 52.729 2.671 1
1 719 . 14 1 1 A 60 60 LEU CB C 60 42.900 44.912 -2.012 1
1 723 . 14 1 1 A 60 60 LEU N N 60 119.300 115.339 3.961 1
1 724 . 14 1 1 A 61 61 ASN H H 61 9.120 8.553 0.567 1
1 729 . 14 1 1 A 61 61 ASN C C 61 175.600 174.797 0.803 1
1 730 . 14 1 1 A 61 61 ASN CA C 61 51.300 53.797 -2.497 1
1 731 . 14 1 1 A 61 61 ASN CB C 61 36.800 38.944 -2.144 1
1 732 . 14 1 1 A 61 61 ASN N N 61 124.900 117.510 7.390 1
1 734 . 14 1 1 A 62 62 ARG H H 62 8.140 8.987 -0.847 1
1 735 . 14 1 1 A 62 62 ARG HA H 62 3.450 4.151 -0.701 1
1 742 . 14 1 1 A 62 62 ARG C C 62 175.200 177.035 -1.835 1
1 743 . 14 1 1 A 62 62 ARG CA C 62 57.600 56.434 1.166 1
1 744 . 14 1 1 A 62 62 ARG CB C 62 30.200 32.156 -1.956 1
1 747 . 14 1 1 A 62 62 ARG N N 62 125.500 120.925 4.575 1
1 748 . 14 1 1 A 63 63 ALA H H 63 7.610 7.756 -0.146 1
1 749 . 14 1 1 A 63 63 ALA HA H 63 4.460 4.367 0.093 1
1 753 . 14 1 1 A 63 63 ALA C C 63 178.300 176.262 2.038 1
1 754 . 14 1 1 A 63 63 ALA CA C 63 51.800 51.481 0.319 1
1 755 . 14 1 1 A 63 63 ALA CB C 63 19.300 18.857 0.443 1
1 756 . 14 1 1 A 63 63 ALA N N 63 118.600 119.723 -1.123 1
1 757 . 14 1 1 A 64 64 GLY H H 64 7.150 8.364 -1.214 1
1 758 . 14 1 1 A 64 64 GLY HA2 H 64 4.410 4.245 0.165 1
1 759 . 14 1 1 A 64 64 GLY HA3 H 64 4.020 4.254 -0.234 1
1 760 . 14 1 1 A 64 64 GLY C C 64 173.500 175.000 -1.500 1
1 761 . 14 1 1 A 64 64 GLY CA C 64 45.400 43.647 1.753 1
1 762 . 14 1 1 A 64 64 GLY N N 64 105.700 107.633 -1.933 1
1 763 . 14 1 1 A 65 65 THR H H 65 8.340 9.153 -0.813 1
1 764 . 14 1 1 A 65 65 THR HA H 65 3.880 4.047 -0.167 1
1 769 . 14 1 1 A 65 65 THR C C 65 176.300 176.387 -0.087 1
1 770 . 14 1 1 A 65 65 THR CA C 65 65.500 65.634 -0.134 1
1 771 . 14 1 1 A 65 65 THR CB C 65 69.000 68.286 0.714 1
1 773 . 14 1 1 A 65 65 THR N N 65 113.400 115.210 -1.810 1
1 774 . 14 1 1 A 66 66 THR H H 66 7.940 8.024 -0.084 1
1 775 . 14 1 1 A 66 66 THR HA H 66 3.820 3.865 -0.045 1
1 780 . 14 1 1 A 66 66 THR C C 66 176.100 176.630 -0.530 1
1 781 . 14 1 1 A 66 66 THR CA C 66 67.000 66.714 0.286 1
1 782 . 14 1 1 A 66 66 THR CB C 66 68.000 69.038 -1.038 1
1 784 . 14 1 1 A 66 66 THR N N 66 116.200 116.282 -0.082 1
1 785 . 14 1 1 A 67 67 PHE H H 67 8.720 7.862 0.858 1
1 786 . 14 1 1 A 67 67 PHE HA H 67 4.130 4.222 -0.092 1
1 793 . 14 1 1 A 67 67 PHE C C 67 176.900 177.478 -0.578 1
1 794 . 14 1 1 A 67 67 PHE CA C 67 61.500 60.725 0.775 1
1 795 . 14 1 1 A 67 67 PHE CB C 67 39.800 39.075 0.725 1
1 800 . 14 1 1 A 67 67 PHE N N 67 122.400 121.197 1.203 1
1 801 . 14 1 1 A 68 68 ARG H H 68 7.750 7.753 -0.003 1
1 802 . 14 1 1 A 68 68 ARG HA H 68 3.790 4.334 -0.544 1
1 809 . 14 1 1 A 68 68 ARG C C 68 176.800 177.883 -1.083 1
1 810 . 14 1 1 A 68 68 ARG CA C 68 59.200 58.064 1.136 1
1 811 . 14 1 1 A 68 68 ARG CB C 68 30.200 29.927 0.273 1
1 814 . 14 1 1 A 68 68 ARG N N 68 114.400 117.709 -3.309 1
1 815 . 14 1 1 A 69 69 LYS H H 69 7.360 7.577 -0.217 1
1 816 . 14 1 1 A 69 69 LYS HA H 69 4.190 4.206 -0.016 1
1 819 . 14 1 1 A 69 69 LYS C C 69 177.400 177.286 0.114 1
1 820 . 14 1 1 A 69 69 LYS CA C 69 56.700 58.547 -1.847 1
1 821 . 14 1 1 A 69 69 LYS CB C 69 33.000 32.116 0.884 1
1 825 . 14 1 1 A 69 69 LYS N N 69 115.600 117.190 -1.590 1
1 826 . 14 1 1 A 70 70 LEU H H 70 7.440 7.031 0.409 1
1 827 . 14 1 1 A 70 70 LEU HA H 70 4.350 4.407 -0.057 1
1 830 . 14 1 1 A 70 70 LEU CA C 70 53.800 52.508 1.292 1
1 831 . 14 1 1 A 70 70 LEU CB C 70 41.000 41.382 -0.382 1
1 832 . 14 1 1 A 70 70 LEU N N 70 121.400 118.589 2.811 1
1 833 . 14 1 1 A 71 71 PRO HA H 71 4.460 4.525 -0.065 1
1 840 . 14 1 1 A 71 71 PRO C C 71 177.500 176.585 0.915 1
1 841 . 14 1 1 A 71 71 PRO CA C 71 62.800 62.297 0.503 1
1 842 . 14 1 1 A 71 71 PRO CB C 71 32.600 33.433 -0.833 1
1 845 . 14 1 1 A 72 72 GLU H H 72 9.010 8.675 0.335 1
1 846 . 14 1 1 A 72 72 GLU HA H 72 3.650 4.013 -0.363 1
1 851 . 14 1 1 A 72 72 GLU C C 72 177.600 178.672 -1.072 1
1 852 . 14 1 1 A 72 72 GLU CA C 72 60.500 59.374 1.126 1
1 853 . 14 1 1 A 72 72 GLU CB C 72 29.900 29.196 0.704 1
1 855 . 14 1 1 A 72 72 GLU N N 72 124.100 120.667 3.433 1
1 856 . 14 1 1 A 73 73 ASP H H 73 8.860 7.944 0.916 1
1 857 . 14 1 1 A 73 73 ASP HA H 73 4.290 4.455 -0.165 1
1 860 . 14 1 1 A 73 73 ASP C C 73 177.600 178.682 -1.082 1
1 861 . 14 1 1 A 73 73 ASP CA C 73 56.700 57.240 -0.540 1
1 862 . 14 1 1 A 73 73 ASP CB C 73 39.300 41.098 -1.798 1
1 863 . 14 1 1 A 73 73 ASP N N 73 116.200 120.369 -4.169 1
1 864 . 14 1 1 A 74 74 VAL H H 74 7.120 7.804 -0.684 1
1 865 . 14 1 1 A 74 74 VAL HA H 74 3.740 3.574 0.166 1
1 873 . 14 1 1 A 74 74 VAL C C 74 178.200 178.162 0.038 1
1 874 . 14 1 1 A 74 74 VAL CA C 74 65.000 66.575 -1.575 1
1 875 . 14 1 1 A 74 74 VAL CB C 74 32.100 31.504 0.596 1
1 878 . 14 1 1 A 74 74 VAL N N 74 120.400 120.661 -0.261 1
1 879 . 14 1 1 A 75 75 ARG H H 75 7.700 8.050 -0.350 1
1 880 . 14 1 1 A 75 75 ARG HA H 75 3.790 3.941 -0.151 1
1 887 . 14 1 1 A 75 75 ARG C C 75 178.500 177.247 1.253 1
1 888 . 14 1 1 A 75 75 ARG CA C 75 59.600 59.079 0.521 1
1 889 . 14 1 1 A 75 75 ARG CB C 75 31.100 29.915 1.185 1
1 892 . 14 1 1 A 75 75 ARG N N 75 115.900 119.772 -3.872 1
1 893 . 14 1 1 A 76 76 SER H H 76 8.260 7.735 0.525 1
1 894 . 14 1 1 A 76 76 SER HA H 76 4.380 4.530 -0.150 1
1 897 . 14 1 1 A 76 76 SER C C 76 174.700 175.587 -0.887 1
1 898 . 14 1 1 A 76 76 SER CA C 76 60.500 60.132 0.368 1
1 899 . 14 1 1 A 76 76 SER CB C 76 63.500 64.016 -0.516 1
1 900 . 14 1 1 A 76 76 SER N N 76 111.800 115.120 -3.320 1
1 901 . 14 1 1 A 77 77 ASN H H 77 7.380 7.940 -0.560 1
1 902 . 14 1 1 A 77 77 ASN HA H 77 5.010 4.869 0.141 1
1 907 . 14 1 1 A 77 77 ASN C C 77 174.300 173.930 0.370 1
1 908 . 14 1 1 A 77 77 ASN CA C 77 52.600 52.830 -0.230 1
1 909 . 14 1 1 A 77 77 ASN CB C 77 39.800 38.978 0.822 1
1 910 . 14 1 1 A 77 77 ASN N N 77 118.000 117.136 0.864 1
1 912 . 14 1 1 A 78 78 VAL H H 78 7.300 7.556 -0.256 1
1 913 . 14 1 1 A 78 78 VAL HA H 78 3.850 4.629 -0.779 1
1 921 . 14 1 1 A 78 78 VAL C C 78 173.200 174.522 -1.322 1
1 922 . 14 1 1 A 78 78 VAL CA C 78 63.600 60.251 3.349 1
1 923 . 14 1 1 A 78 78 VAL CB C 78 32.100 34.037 -1.937 1
1 926 . 14 1 1 A 78 78 VAL N N 78 121.200 120.489 0.711 1
1 927 . 14 1 1 A 79 79 ASP H H 79 7.660 8.252 -0.592 1
1 928 . 14 1 1 A 79 79 ASP HA H 79 4.380 4.846 -0.466 1
1 931 . 14 1 1 A 79 79 ASP C C 79 173.700 176.010 -2.310 1
1 932 . 14 1 1 A 79 79 ASP CA C 79 51.500 51.969 -0.469 1
1 933 . 14 1 1 A 79 79 ASP CB C 79 41.800 42.798 -0.998 1
1 934 . 14 1 1 A 79 79 ASP N N 79 127.000 127.555 -0.555 1
1 935 . 14 1 1 A 80 80 ALA H H 80 8.110 8.641 -0.531 1
1 936 . 14 1 1 A 80 80 ALA HA H 80 2.420 3.483 -1.063 1
1 940 . 14 1 1 A 80 80 ALA C C 80 178.700 179.793 -1.093 1
1 941 . 14 1 1 A 80 80 ALA CA C 80 55.600 55.361 0.239 1
1 942 . 14 1 1 A 80 80 ALA CB C 80 18.600 18.333 0.267 1
1 943 . 14 1 1 A 80 80 ALA N N 80 119.900 121.507 -1.607 1
1 944 . 14 1 1 A 81 81 ALA H H 81 7.760 8.080 -0.320 1
1 945 . 14 1 1 A 81 81 ALA HA H 81 4.030 3.902 0.128 1
1 949 . 14 1 1 A 81 81 ALA C C 81 180.700 179.717 0.983 1
1 950 . 14 1 1 A 81 81 ALA CA C 81 54.800 55.223 -0.423 1
1 951 . 14 1 1 A 81 81 ALA CB C 81 18.300 18.656 -0.356 1
1 952 . 14 1 1 A 81 81 ALA N N 81 118.500 120.005 -1.505 1
1 953 . 14 1 1 A 82 82 SER H H 82 8.480 8.067 0.413 1
1 954 . 14 1 1 A 82 82 SER HA H 82 4.240 3.976 0.264 1
1 957 . 14 1 1 A 82 82 SER C C 82 177.200 176.232 0.968 1
1 958 . 14 1 1 A 82 82 SER CA C 82 60.300 61.861 -1.561 1
1 959 . 14 1 1 A 82 82 SER CB C 82 62.700 62.794 -0.094 1
1 960 . 14 1 1 A 82 82 SER N N 82 115.300 113.150 2.150 1
1 961 . 14 1 1 A 83 83 ALA H H 83 8.970 8.225 0.745 1
1 962 . 14 1 1 A 83 83 ALA HA H 83 3.820 3.868 -0.048 1
1 966 . 14 1 1 A 83 83 ALA C C 83 178.600 180.229 -1.629 1
1 967 . 14 1 1 A 83 83 ALA CA C 83 55.600 55.138 0.462 1
1 968 . 14 1 1 A 83 83 ALA CB C 83 19.400 18.007 1.393 1
1 969 . 14 1 1 A 83 83 ALA N N 83 124.700 123.178 1.522 1
1 970 . 14 1 1 A 84 84 ARG H H 84 7.250 8.086 -0.836 1
1 971 . 14 1 1 A 84 84 ARG HA H 84 3.740 4.027 -0.287 1
1 978 . 14 1 1 A 84 84 ARG C C 84 176.600 179.285 -2.685 1
1 979 . 14 1 1 A 84 84 ARG CA C 84 60.100 59.861 0.239 1
1 980 . 14 1 1 A 84 84 ARG CB C 84 29.900 30.123 -0.223 1
1 983 . 14 1 1 A 84 84 ARG N N 84 116.500 117.610 -1.110 1
1 984 . 14 1 1 A 85 85 GLU H H 85 7.240 8.204 -0.964 1
1 985 . 14 1 1 A 85 85 GLU HA H 85 3.890 3.995 -0.105 1
1 990 . 14 1 1 A 85 85 GLU C C 85 179.800 179.163 0.637 1
1 991 . 14 1 1 A 85 85 GLU CA C 85 59.200 58.882 0.318 1
1 992 . 14 1 1 A 85 85 GLU CB C 85 29.300 29.434 -0.134 1
1 994 . 14 1 1 A 85 85 GLU N N 85 115.600 120.146 -4.546 1
1 995 . 14 1 1 A 86 86 LEU H H 86 8.620 8.549 0.071 1
1 996 . 14 1 1 A 86 86 LEU HA H 86 4.030 3.914 0.116 1
1 1006 . 14 1 1 A 86 86 LEU C C 86 178.600 179.076 -0.476 1
1 1007 . 14 1 1 A 86 86 LEU CA C 86 58.100 57.725 0.375 1
1 1008 . 14 1 1 A 86 86 LEU CB C 86 42.200 42.071 0.129 1
1 1012 . 14 1 1 A 86 86 LEU N N 86 120.800 121.084 -0.284 1
1 1013 . 14 1 1 A 87 87 MET H H 87 7.840 8.288 -0.448 1
1 1014 . 14 1 1 A 87 87 MET HA H 87 3.680 4.060 -0.380 1
1 1022 . 14 1 1 A 87 87 MET C C 87 175.600 178.590 -2.990 1
1 1023 . 14 1 1 A 87 87 MET CA C 87 60.000 58.828 1.172 1
1 1024 . 14 1 1 A 87 87 MET CB C 87 34.300 32.302 1.998 1
1 1027 . 14 1 1 A 87 87 MET N N 87 116.700 116.229 0.471 1
1 1028 . 14 1 1 A 88 88 LEU H H 88 7.490 8.197 -0.707 1
1 1029 . 14 1 1 A 88 88 LEU HA H 88 3.890 4.054 -0.164 1
1 1039 . 14 1 1 A 88 88 LEU C C 88 179.200 178.411 0.789 1
1 1040 . 14 1 1 A 88 88 LEU CA C 88 57.000 57.974 -0.974 1
1 1041 . 14 1 1 A 88 88 LEU CB C 88 41.800 41.530 0.270 1
1 1045 . 14 1 1 A 88 88 LEU N N 88 113.400 121.416 -8.016 1
1 1046 . 14 1 1 A 89 89 ALA H H 89 7.690 7.754 -0.064 1
1 1047 . 14 1 1 A 89 89 ALA HA H 89 4.210 4.226 -0.016 1
1 1051 . 14 1 1 A 89 89 ALA C C 89 179.100 177.935 1.165 1
1 1052 . 14 1 1 A 89 89 ALA CA C 89 54.100 54.537 -0.437 1
1 1053 . 14 1 1 A 89 89 ALA CB C 89 19.200 19.180 0.020 1
1 1054 . 14 1 1 A 89 89 ALA N N 89 119.100 120.180 -1.080 1
1 1055 . 14 1 1 A 90 90 GLN H H 90 8.100 8.122 -0.022 1
1 1062 . 14 1 1 A 90 90 GLN CA C 90 53.400 53.066 0.334 1
1 1063 . 14 1 1 A 90 90 GLN CB C 90 30.900 28.742 2.158 1
1 1064 . 14 1 1 A 90 90 GLN N N 90 115.100 114.997 0.103 1
1 1066 . 14 1 1 A 91 91 PRO HA H 91 4.530 4.332 0.198 1
1 1073 . 14 1 1 A 91 91 PRO C C 91 178.300 177.402 0.898 1
1 1074 . 14 1 1 A 91 91 PRO CA C 91 64.300 63.962 0.338 1
1 1075 . 14 1 1 A 91 91 PRO CB C 91 31.800 31.734 0.066 1
1 1078 . 14 1 1 A 92 92 SER H H 92 8.510 8.335 0.175 1
1 1079 . 14 1 1 A 92 92 SER HA H 92 4.310 4.338 -0.028 1
1 1082 . 14 1 1 A 92 92 SER C C 92 174.200 175.802 -1.602 1
1 1083 . 14 1 1 A 92 92 SER CA C 92 62.000 60.056 1.944 1
1 1084 . 14 1 1 A 92 92 SER CB C 92 62.500 62.672 -0.172 1
1 1085 . 14 1 1 A 92 92 SER N N 92 115.000 113.139 1.861 1
1 1086 . 14 1 1 A 93 93 MET H H 93 8.790 7.613 1.177 1
1 1087 . 14 1 1 A 93 93 MET HA H 93 4.560 4.536 0.024 1
1 1092 . 14 1 1 A 93 93 MET C C 93 174.900 176.524 -1.624 1
1 1093 . 14 1 1 A 93 93 MET CA C 93 56.900 56.556 0.344 1
1 1094 . 14 1 1 A 93 93 MET CB C 93 35.000 32.781 2.219 1
1 1096 . 14 1 1 A 93 93 MET N N 93 118.400 117.882 0.518 1
1 1097 . 14 1 1 A 94 94 VAL H H 94 7.540 7.508 0.032 1
1 1098 . 14 1 1 A 94 94 VAL HA H 94 4.080 4.116 -0.036 1
1 1106 . 14 1 1 A 94 94 VAL C C 94 178.000 175.921 2.079 1
1 1107 . 14 1 1 A 94 94 VAL CA C 94 63.100 63.041 0.059 1
1 1108 . 14 1 1 A 94 94 VAL CB C 94 31.700 31.654 0.046 1
1 1111 . 14 1 1 A 94 94 VAL N N 94 121.000 121.375 -0.375 1
1 1112 . 14 1 1 A 95 95 LYS H H 95 9.550 8.725 0.825 1
1 1113 . 14 1 1 A 95 95 LYS HA H 95 3.940 4.261 -0.321 1
1 1116 . 14 1 1 A 95 95 LYS CA C 95 58.800 56.762 2.038 1
1 1117 . 14 1 1 A 95 95 LYS CB C 95 33.500 33.384 0.116 1
1 1121 . 14 1 1 A 95 95 LYS N N 95 131.200 126.163 5.037 1
1 1122 . 14 1 1 A 96 96 ARG H H 96 8.260 8.802 -0.542 1
1 1125 . 14 1 1 A 96 96 ARG CA C 96 52.700 54.642 -1.942 1
1 1126 . 14 1 1 A 96 96 ARG CB C 96 34.400 32.741 1.659 1
1 1127 . 14 1 1 A 96 96 ARG N N 96 117.100 120.556 -3.456 1
1 1134 . 14 1 1 A 97 97 PRO C C 97 176.600 175.121 1.479 1
1 1135 . 14 1 1 A 97 97 PRO CA C 97 62.400 62.460 -0.060 1
1 1136 . 14 1 1 A 97 97 PRO CB C 97 34.700 32.986 1.714 1
1 1139 . 14 1 1 A 98 98 VAL H H 98 7.540 8.107 -0.567 1
1 1140 . 14 1 1 A 98 98 VAL HA H 98 4.460 5.025 -0.565 1
1 1148 . 14 1 1 A 98 98 VAL C C 98 173.500 174.661 -1.161 1
1 1149 . 14 1 1 A 98 98 VAL CA C 98 64.000 60.575 3.425 1
1 1150 . 14 1 1 A 98 98 VAL CB C 98 33.600 34.787 -1.187 1
1 1153 . 14 1 1 A 98 98 VAL N N 98 117.800 119.886 -2.086 1
1 1154 . 14 1 1 A 99 99 LEU H H 99 9.030 9.298 -0.268 1
1 1155 . 14 1 1 A 99 99 LEU HA H 99 5.410 5.353 0.057 1
1 1165 . 14 1 1 A 99 99 LEU C C 99 173.800 175.171 -1.371 1
1 1166 . 14 1 1 A 99 99 LEU CA C 99 54.300 52.985 1.315 1
1 1167 . 14 1 1 A 99 99 LEU CB C 99 45.800 44.184 1.616 1
1 1171 . 14 1 1 A 99 99 LEU N N 99 131.400 126.650 4.750 1
1 1172 . 14 1 1 A 100 100 GLU H H 100 9.390 9.221 0.169 1
1 1173 . 14 1 1 A 100 100 GLU HA H 100 5.050 5.584 -0.534 1
1 1178 . 14 1 1 A 100 100 GLU C C 100 174.200 175.155 -0.955 1
1 1179 . 14 1 1 A 100 100 GLU CA C 100 55.300 55.071 0.229 1
1 1180 . 14 1 1 A 100 100 GLU CB C 100 35.600 32.470 3.130 1
1 1182 . 14 1 1 A 100 100 GLU N N 100 125.800 125.893 -0.093 1
1 1183 . 14 1 1 A 101 101 ARG H H 101 7.610 8.959 -1.349 1
1 1184 . 14 1 1 A 101 101 ARG C C 101 175.900 175.167 0.733 1
1 1185 . 14 1 1 A 101 101 ARG CA C 101 56.700 56.127 0.573 1
1 1186 . 14 1 1 A 101 101 ARG CB C 101 32.500 32.898 -0.398 1
1 1189 . 14 1 1 A 101 101 ARG N N 101 125.100 126.790 -1.690 1
1 1190 . 14 1 1 A 102 102 ASP H H 102 10.080 9.538 0.542 1
1 1191 . 14 1 1 A 102 102 ASP HA H 102 4.450 4.285 0.165 1
1 1194 . 14 1 1 A 102 102 ASP C C 102 175.700 175.478 0.222 1
1 1195 . 14 1 1 A 102 102 ASP CA C 102 55.300 55.062 0.238 1
1 1196 . 14 1 1 A 102 102 ASP CB C 102 40.500 39.704 0.796 1
1 1197 . 14 1 1 A 102 102 ASP N N 102 132.000 126.482 5.518 1
1 1198 . 14 1 1 A 103 103 GLY H H 103 8.870 8.741 0.129 1
1 1199 . 14 1 1 A 103 103 GLY HA2 H 103 4.120 3.895 0.225 1
1 1200 . 14 1 1 A 103 103 GLY HA3 H 103 3.830 3.904 -0.074 1
1 1201 . 14 1 1 A 103 103 GLY C C 103 174.000 173.783 0.217 1
1 1202 . 14 1 1 A 103 103 GLY CA C 103 45.600 45.540 0.060 1
1 1203 . 14 1 1 A 103 103 GLY N N 103 102.900 103.652 -0.752 1
1 1204 . 14 1 1 A 104 104 LYS H H 104 8.130 8.143 -0.013 1
1 1205 . 14 1 1 A 104 104 LYS HA H 104 4.650 4.783 -0.133 1
1 1208 . 14 1 1 A 104 104 LYS C C 104 176.500 175.452 1.048 1
1 1209 . 14 1 1 A 104 104 LYS CA C 104 55.500 54.461 1.039 1
1 1210 . 14 1 1 A 104 104 LYS CB C 104 32.600 35.078 -2.478 1
1 1214 . 14 1 1 A 104 104 LYS N N 104 122.400 120.501 1.899 1
1 1215 . 14 1 1 A 105 105 LEU H H 105 8.920 8.802 0.118 1
1 1216 . 14 1 1 A 105 105 LEU HA H 105 5.420 5.301 0.119 1
1 1226 . 14 1 1 A 105 105 LEU C C 105 177.200 175.627 1.573 1
1 1227 . 14 1 1 A 105 105 LEU CA C 105 54.300 53.517 0.783 1
1 1228 . 14 1 1 A 105 105 LEU CB C 105 45.400 44.082 1.318 1
1 1232 . 14 1 1 A 105 105 LEU N N 105 129.200 123.724 5.476 1
1 1233 . 14 1 1 A 106 106 MET H H 106 8.860 8.860 0.000 1
1 1234 . 14 1 1 A 106 106 MET HA H 106 4.580 5.169 -0.589 1
1 1239 . 14 1 1 A 106 106 MET C C 106 174.500 174.809 -0.309 1
1 1240 . 14 1 1 A 106 106 MET CA C 106 55.300 54.249 1.051 1
1 1241 . 14 1 1 A 106 106 MET CB C 106 36.500 35.830 0.670 1
1 1243 . 14 1 1 A 106 106 MET N N 106 121.500 125.314 -3.814 1
1 1244 . 14 1 1 A 107 107 VAL H H 107 9.180 8.472 0.708 1
1 1245 . 14 1 1 A 107 107 VAL HA H 107 4.690 4.452 0.238 1
1 1253 . 14 1 1 A 107 107 VAL C C 107 176.200 176.130 0.070 1
1 1254 . 14 1 1 A 107 107 VAL CA C 107 61.400 61.253 0.147 1
1 1255 . 14 1 1 A 107 107 VAL CB C 107 33.400 32.962 0.438 1
1 1258 . 14 1 1 A 107 107 VAL N N 107 129.500 121.509 7.991 1
1 1259 . 14 1 1 A 108 108 GLY H H 108 8.730 8.440 0.290 1
1 1260 . 14 1 1 A 108 108 GLY HA2 H 108 4.430 3.770 0.660 1
1 1261 . 14 1 1 A 108 108 GLY HA3 H 108 3.850 3.839 0.011 1
1 1262 . 14 1 1 A 108 108 GLY CA C 108 43.800 44.439 -0.639 1
1 1263 . 14 1 1 A 108 108 GLY N N 108 113.600 110.280 3.320 1
1 1271 . 14 1 1 A 109 109 PHE C C 109 172.700 175.217 -2.517 1
1 1272 . 14 1 1 A 109 109 PHE CA C 109 58.900 56.376 2.524 1
1 1273 . 14 1 1 A 109 109 PHE CB C 109 42.100 43.127 -1.027 1
1 1279 . 14 1 1 A 110 110 LYS H H 110 6.510 8.616 -2.106 1
1 1282 . 14 1 1 A 110 110 LYS CA C 110 53.500 55.207 -1.707 1
1 1283 . 14 1 1 A 110 110 LYS CB C 110 34.800 32.031 2.769 1
1 1284 . 14 1 1 A 110 110 LYS N N 110 126.600 121.287 5.313 1
1 1285 . 14 1 1 A 111 111 PRO HA H 111 3.360 4.294 -0.934 1
1 1292 . 14 1 1 A 111 111 PRO C C 111 177.100 178.697 -1.597 1
1 1293 . 14 1 1 A 111 111 PRO CA C 111 66.600 65.808 0.792 1
1 1294 . 14 1 1 A 111 111 PRO CB C 111 31.700 31.819 -0.119 1
1 1297 . 14 1 1 A 112 112 ALA H H 112 8.450 8.335 0.115 1
1 1298 . 14 1 1 A 112 112 ALA HA H 112 4.140 4.103 0.037 1
1 1302 . 14 1 1 A 112 112 ALA C C 112 180.300 180.642 -0.342 1
1 1303 . 14 1 1 A 112 112 ALA CA C 112 54.900 55.392 -0.492 1
1 1304 . 14 1 1 A 112 112 ALA CB C 112 18.800 18.495 0.305 1
1 1305 . 14 1 1 A 112 112 ALA N N 112 116.200 118.650 -2.450 1
1 1306 . 14 1 1 A 113 113 GLN H H 113 6.880 7.765 -0.885 1
1 1307 . 14 1 1 A 113 113 GLN HA H 113 4.130 4.051 0.079 1
1 1314 . 14 1 1 A 113 113 GLN C C 113 178.400 178.297 0.103 1
1 1315 . 14 1 1 A 113 113 GLN CA C 113 60.100 59.046 1.054 1
1 1316 . 14 1 1 A 113 113 GLN CB C 113 29.100 28.615 0.485 1
1 1318 . 14 1 1 A 113 113 GLN N N 113 118.200 117.697 0.503 1
1 1320 . 14 1 1 A 114 114 TYR H H 114 7.600 8.236 -0.636 1
1 1321 . 14 1 1 A 114 114 TYR HA H 114 3.800 4.231 -0.431 1
1 1328 . 14 1 1 A 114 114 TYR C C 114 177.100 178.305 -1.205 1
1 1329 . 14 1 1 A 114 114 TYR CA C 114 61.700 61.395 0.305 1
1 1330 . 14 1 1 A 114 114 TYR CB C 114 33.200 38.537 -5.337 1
1 1335 . 14 1 1 A 114 114 TYR N N 114 124.900 121.230 3.670 1
1 1336 . 14 1 1 A 115 115 GLU H H 115 8.610 8.517 0.093 1
1 1337 . 14 1 1 A 115 115 GLU HA H 115 4.160 4.328 -0.168 1
1 1342 . 14 1 1 A 115 115 GLU C C 115 178.800 179.398 -0.598 1
1 1343 . 14 1 1 A 115 115 GLU CA C 115 60.100 59.785 0.315 1
1 1344 . 14 1 1 A 115 115 GLU CB C 115 30.000 30.029 -0.029 1
1 1346 . 14 1 1 A 115 115 GLU N N 115 119.300 118.825 0.475 1
1 1347 . 14 1 1 A 116 116 ALA H H 116 7.390 8.053 -0.663 1
1 1348 . 14 1 1 A 116 116 ALA HA H 116 4.210 4.186 0.024 1
1 1352 . 14 1 1 A 116 116 ALA C C 116 179.700 179.528 0.172 1
1 1353 . 14 1 1 A 116 116 ALA CA C 116 54.600 54.930 -0.330 1
1 1354 . 14 1 1 A 116 116 ALA CB C 116 18.200 18.136 0.064 1
1 1355 . 14 1 1 A 116 116 ALA N N 116 118.200 122.400 -4.200 1
1 1356 . 14 1 1 A 117 117 TYR H H 117 7.780 8.166 -0.386 1
1 1357 . 14 1 1 A 117 117 TYR HA H 117 3.890 4.184 -0.294 1
1 1364 . 14 1 1 A 117 117 TYR C C 117 177.300 177.523 -0.223 1
1 1365 . 14 1 1 A 117 117 TYR CA C 117 61.100 61.557 -0.457 1
1 1366 . 14 1 1 A 117 117 TYR CB C 117 39.200 38.401 0.799 1
1 1371 . 14 1 1 A 117 117 TYR N N 117 120.200 119.885 0.315 1
1 1372 . 14 1 1 A 118 118 PHE H H 118 7.960 8.186 -0.226 1
1 1379 . 14 1 1 A 118 118 PHE C C 118 174.900 176.294 -1.394 1
1 1380 . 14 1 1 A 118 118 PHE CA C 118 57.850 61.398 -3.548 1
1 1381 . 14 1 1 A 118 118 PHE CB C 118 39.100 39.227 -0.127 1
1 1386 . 14 1 1 A 118 118 PHE N N 118 113.100 121.005 -7.905 1
1 1387 . 14 1 1 A 119 119 LYS H H 119 7.670 7.395 0.275 1
1 1388 . 14 1 1 A 119 119 LYS HA H 119 4.210 4.242 -0.032 1
1 1397 . 14 1 1 A 119 119 LYS CA C 119 57.300 56.729 0.571 1
1 1398 . 14 1 1 A 119 119 LYS CB C 119 31.200 32.948 -1.748 1
1 1402 . 14 1 1 A 119 119 LYS N N 119 120.200 119.292 0.908 1
1 1 . 15 1 1 A 2 2 PRO HA H 2 4.500 4.626 -0.126 1
1 8 . 15 1 1 A 2 2 PRO C C 2 177.500 176.922 0.578 1
1 9 . 15 1 1 A 2 2 PRO CA C 2 63.500 62.964 0.536 1
1 10 . 15 1 1 A 2 2 PRO CB C 2 32.200 33.075 -0.875 1
1 13 . 15 1 1 A 3 3 GLY H H 3 8.113 8.500 -0.387 1
1 14 . 15 1 1 A 3 3 GLY HA2 H 3 4.060 4.190 -0.130 1
1 15 . 15 1 1 A 3 3 GLY HA3 H 3 4.030 4.192 -0.162 1
1 16 . 15 1 1 A 3 3 GLY CA C 3 45.300 45.637 -0.337 1
1 17 . 15 1 1 A 3 3 GLY N N 3 110.500 110.640 -0.140 1
1 18 . 15 1 1 A 4 4 SER H H 4 8.280 8.168 0.112 1
1 19 . 15 1 1 A 4 4 SER HA H 4 4.520 4.345 0.175 1
1 22 . 15 1 1 A 4 4 SER C C 4 178.100 174.865 3.235 1
1 23 . 15 1 1 A 4 4 SER CA C 4 58.600 60.344 -1.744 1
1 24 . 15 1 1 A 4 4 SER CB C 4 63.800 64.086 -0.286 1
1 25 . 15 1 1 A 4 4 SER N N 4 115.900 115.147 0.753 1
1 26 . 15 1 1 A 5 5 MET H H 5 8.680 8.088 0.592 1
1 27 . 15 1 1 A 5 5 MET HA H 5 4.700 4.138 0.562 1
1 32 . 15 1 1 A 5 5 MET C C 5 174.800 174.950 -0.150 1
1 33 . 15 1 1 A 5 5 MET CA C 5 54.900 56.178 -1.278 1
1 34 . 15 1 1 A 5 5 MET CB C 5 32.500 31.135 1.365 1
1 36 . 15 1 1 A 5 5 MET N N 5 121.500 120.727 0.773 1
1 37 . 15 1 1 A 6 6 SER H H 6 8.220 7.944 0.276 1
1 38 . 15 1 1 A 6 6 SER HA H 6 4.580 4.531 0.049 1
1 41 . 15 1 1 A 6 6 SER C C 6 174.200 173.626 0.574 1
1 42 . 15 1 1 A 6 6 SER CA C 6 59.100 58.574 0.526 1
1 43 . 15 1 1 A 6 6 SER CB C 6 63.800 63.862 -0.062 1
1 44 . 15 1 1 A 6 6 SER N N 6 117.000 114.938 2.062 1
1 45 . 15 1 1 A 7 7 VAL H H 7 8.750 8.203 0.547 1
1 46 . 15 1 1 A 7 7 VAL HA H 7 4.840 4.410 0.430 1
1 54 . 15 1 1 A 7 7 VAL C C 7 175.800 174.748 1.052 1
1 55 . 15 1 1 A 7 7 VAL CA C 7 61.800 60.953 0.847 1
1 56 . 15 1 1 A 7 7 VAL CB C 7 33.800 33.346 0.454 1
1 59 . 15 1 1 A 7 7 VAL N N 7 124.100 126.324 -2.224 1
1 60 . 15 1 1 A 8 8 THR H H 8 8.880 8.189 0.691 1
1 61 . 15 1 1 A 8 8 THR HA H 8 5.360 4.606 0.754 1
1 66 . 15 1 1 A 8 8 THR C C 8 172.500 172.613 -0.113 1
1 67 . 15 1 1 A 8 8 THR CA C 8 61.700 61.714 -0.014 1
1 68 . 15 1 1 A 8 8 THR CB C 8 70.600 70.135 0.465 1
1 70 . 15 1 1 A 8 8 THR N N 8 124.500 123.453 1.047 1
1 71 . 15 1 1 A 9 9 ILE H H 9 9.170 9.037 0.133 1
1 72 . 15 1 1 A 9 9 ILE HA H 9 5.610 5.496 0.114 1
1 82 . 15 1 1 A 9 9 ILE C C 9 172.500 173.006 -0.506 1
1 83 . 15 1 1 A 9 9 ILE CA C 9 58.300 58.392 -0.092 1
1 84 . 15 1 1 A 9 9 ILE CB C 9 42.400 41.454 0.946 1
1 88 . 15 1 1 A 9 9 ILE N N 9 123.900 128.024 -4.124 1
1 89 . 15 1 1 A 10 10 TYR H H 10 9.740 9.276 0.464 1
1 90 . 15 1 1 A 10 10 TYR HA H 10 5.410 5.960 -0.550 1
1 95 . 15 1 1 A 10 10 TYR C C 10 177.500 176.206 1.294 1
1 96 . 15 1 1 A 10 10 TYR CA C 10 56.500 55.318 1.182 1
1 97 . 15 1 1 A 10 10 TYR CB C 10 40.300 41.135 -0.835 1
1 100 . 15 1 1 A 10 10 TYR N N 10 125.300 127.969 -2.669 1
1 101 . 15 1 1 A 11 11 GLY H H 11 7.880 9.062 -1.182 1
1 102 . 15 1 1 A 11 11 GLY HA2 H 11 4.700 4.495 0.205 1
1 103 . 15 1 1 A 11 11 GLY HA3 H 11 4.700 4.583 0.117 1
1 104 . 15 1 1 A 11 11 GLY C C 11 170.000 172.894 -2.894 1
1 105 . 15 1 1 A 11 11 GLY CA C 11 46.700 45.779 0.921 1
1 106 . 15 1 1 A 11 11 GLY N N 11 108.600 109.945 -1.345 1
1 107 . 15 1 1 A 12 12 ILE H H 12 6.340 8.746 -2.406 1
1 108 . 15 1 1 A 12 12 ILE HA H 12 5.330 5.166 0.164 1
1 118 . 15 1 1 A 12 12 ILE C C 12 175.100 176.417 -1.317 1
1 119 . 15 1 1 A 12 12 ILE CA C 12 59.300 58.808 0.492 1
1 120 . 15 1 1 A 12 12 ILE CB C 12 41.000 41.618 -0.618 1
1 124 . 15 1 1 A 12 12 ILE N N 12 113.300 117.706 -4.406 1
1 125 . 15 1 1 A 13 13 LYS H H 13 9.450 8.967 0.483 1
1 126 . 15 1 1 A 13 13 LYS HA H 13 4.090 4.416 -0.326 1
1 129 . 15 1 1 A 13 13 LYS C C 13 177.800 177.146 0.654 1
1 130 . 15 1 1 A 13 13 LYS CA C 13 59.200 58.139 1.061 1
1 131 . 15 1 1 A 13 13 LYS CB C 13 33.600 33.276 0.324 1
1 133 . 15 1 1 A 13 13 LYS N N 13 120.900 122.618 -1.718 1
1 134 . 15 1 1 A 14 14 ASN H H 14 8.700 7.790 0.910 1
1 135 . 15 1 1 A 14 14 ASN HA H 14 4.690 4.878 -0.188 1
1 140 . 15 1 1 A 14 14 ASN C C 14 173.100 173.806 -0.706 1
1 141 . 15 1 1 A 14 14 ASN CA C 14 52.700 52.777 -0.077 1
1 142 . 15 1 1 A 14 14 ASN CB C 14 36.300 36.741 -0.441 1
1 143 . 15 1 1 A 14 14 ASN N N 14 116.600 114.776 1.824 1
1 145 . 15 1 1 A 15 15 CYS H H 15 7.440 7.553 -0.113 1
1 146 . 15 1 1 A 15 15 CYS HA H 15 4.510 4.874 -0.364 1
1 149 . 15 1 1 A 15 15 CYS CA C 15 59.100 58.173 0.927 1
1 150 . 15 1 1 A 15 15 CYS CB C 15 30.800 31.072 -0.272 1
1 151 . 15 1 1 A 15 15 CYS N N 15 124.400 121.446 2.954 1
1 152 . 15 1 1 A 16 16 ASP HA H 16 4.460 4.602 -0.142 1
1 155 . 15 1 1 A 16 16 ASP C C 16 178.000 177.877 0.123 1
1 156 . 15 1 1 A 16 16 ASP CA C 16 57.500 54.636 2.864 1
1 157 . 15 1 1 A 16 16 ASP CB C 16 41.400 42.096 -0.696 1
1 158 . 15 1 1 A 17 17 THR H H 17 9.210 7.825 1.385 1
1 159 . 15 1 1 A 17 17 THR HA H 17 4.000 3.931 0.069 1
1 164 . 15 1 1 A 17 17 THR C C 17 176.000 176.612 -0.612 1
1 165 . 15 1 1 A 17 17 THR CA C 17 67.400 66.124 1.276 1
1 166 . 15 1 1 A 17 17 THR CB C 17 68.200 68.826 -0.626 1
1 168 . 15 1 1 A 17 17 THR N N 17 122.200 116.598 5.602 1
1 169 . 15 1 1 A 18 18 MET H H 18 8.940 8.097 0.843 1
1 170 . 15 1 1 A 18 18 MET HA H 18 3.990 3.932 0.058 1
1 176 . 15 1 1 A 18 18 MET C C 18 178.300 178.530 -0.230 1
1 177 . 15 1 1 A 18 18 MET CA C 18 56.000 59.324 -3.324 1
1 178 . 15 1 1 A 18 18 MET CB C 18 31.400 32.660 -1.260 1
1 181 . 15 1 1 A 18 18 MET N N 18 125.300 118.551 6.749 1
1 182 . 15 1 1 A 19 19 LYS H H 19 8.080 8.001 0.079 1
1 183 . 15 1 1 A 19 19 LYS HA H 19 3.800 3.861 -0.061 1
1 186 . 15 1 1 A 19 19 LYS CA C 19 60.000 59.553 0.447 1
1 187 . 15 1 1 A 19 19 LYS CB C 19 32.500 32.574 -0.074 1
1 191 . 15 1 1 A 19 19 LYS N N 19 117.900 120.441 -2.541 1
1 192 . 15 1 1 A 20 20 LYS H H 20 7.510 8.094 -0.584 1
1 193 . 15 1 1 A 20 20 LYS HA H 20 3.790 4.116 -0.326 1
1 198 . 15 1 1 A 20 20 LYS C C 20 178.500 178.994 -0.494 1
1 199 . 15 1 1 A 20 20 LYS CA C 20 59.500 59.706 -0.206 1
1 200 . 15 1 1 A 20 20 LYS CB C 20 32.800 32.522 0.278 1
1 204 . 15 1 1 A 20 20 LYS N N 20 117.500 119.059 -1.559 1
1 205 . 15 1 1 A 21 21 ALA H H 21 7.730 8.302 -0.572 1
1 206 . 15 1 1 A 21 21 ALA HA H 21 2.540 4.080 -1.540 1
1 210 . 15 1 1 A 21 21 ALA C C 21 178.700 179.767 -1.067 1
1 211 . 15 1 1 A 21 21 ALA CA C 21 54.400 55.324 -0.924 1
1 212 . 15 1 1 A 21 21 ALA CB C 21 19.000 18.347 0.653 1
1 213 . 15 1 1 A 21 21 ALA N N 21 123.600 122.077 1.523 1
1 214 . 15 1 1 A 22 22 ARG H H 22 8.110 8.371 -0.261 1
1 215 . 15 1 1 A 22 22 ARG HA H 22 3.490 4.008 -0.518 1
1 222 . 15 1 1 A 22 22 ARG C C 22 178.200 178.516 -0.316 1
1 223 . 15 1 1 A 22 22 ARG CA C 22 60.500 59.316 1.184 1
1 224 . 15 1 1 A 22 22 ARG CB C 22 30.700 29.774 0.926 1
1 227 . 15 1 1 A 22 22 ARG N N 22 116.100 117.848 -1.748 1
1 228 . 15 1 1 A 23 23 ILE H H 23 7.860 8.093 -0.233 1
1 229 . 15 1 1 A 23 23 ILE HA H 23 3.710 3.763 -0.053 1
1 239 . 15 1 1 A 23 23 ILE C C 23 177.200 178.612 -1.412 1
1 240 . 15 1 1 A 23 23 ILE CA C 23 65.000 64.971 0.029 1
1 241 . 15 1 1 A 23 23 ILE CB C 23 38.000 37.517 0.483 1
1 245 . 15 1 1 A 23 23 ILE N N 23 119.400 119.269 0.131 1
1 246 . 15 1 1 A 24 24 TRP H H 24 7.880 8.149 -0.269 1
1 247 . 15 1 1 A 24 24 TRP HA H 24 4.270 4.410 -0.140 1
1 256 . 15 1 1 A 24 24 TRP C C 24 176.100 178.247 -2.147 1
1 257 . 15 1 1 A 24 24 TRP CA C 24 63.100 61.149 1.951 1
1 258 . 15 1 1 A 24 24 TRP CB C 24 30.200 30.003 0.197 1
1 264 . 15 1 1 A 24 24 TRP N N 24 121.000 122.318 -1.318 1
1 266 . 15 1 1 A 25 25 LEU H H 25 8.690 8.826 -0.136 1
1 267 . 15 1 1 A 25 25 LEU HA H 25 4.000 3.976 0.024 1
1 277 . 15 1 1 A 25 25 LEU C C 25 178.600 179.407 -0.807 1
1 278 . 15 1 1 A 25 25 LEU CA C 25 59.700 57.958 1.742 1
1 279 . 15 1 1 A 25 25 LEU CB C 25 41.200 41.118 0.082 1
1 283 . 15 1 1 A 25 25 LEU N N 25 121.800 119.619 2.181 1
1 284 . 15 1 1 A 26 26 GLU H H 26 8.580 8.534 0.046 1
1 285 . 15 1 1 A 26 26 GLU HA H 26 4.200 3.979 0.221 1
1 290 . 15 1 1 A 26 26 GLU C C 26 181.200 179.156 2.044 1
1 291 . 15 1 1 A 26 26 GLU CA C 26 59.500 59.836 -0.336 1
1 292 . 15 1 1 A 26 26 GLU CB C 26 28.800 29.366 -0.566 1
1 294 . 15 1 1 A 26 26 GLU N N 26 120.600 118.014 2.586 1
1 295 . 15 1 1 A 27 27 ASP H H 27 9.360 8.143 1.217 1
1 296 . 15 1 1 A 27 27 ASP HA H 27 4.270 4.340 -0.070 1
1 299 . 15 1 1 A 27 27 ASP C C 27 177.400 178.479 -1.079 1
1 300 . 15 1 1 A 27 27 ASP CA C 27 56.400 57.097 -0.697 1
1 301 . 15 1 1 A 27 27 ASP CB C 27 40.000 41.361 -1.361 1
1 302 . 15 1 1 A 27 27 ASP N N 27 121.800 120.082 1.718 1
1 303 . 15 1 1 A 28 28 HIS H H 28 7.340 8.016 -0.676 1
1 304 . 15 1 1 A 28 28 HIS HA H 28 4.250 4.358 -0.108 1
1 309 . 15 1 1 A 28 28 HIS C C 28 173.600 175.349 -1.749 1
1 310 . 15 1 1 A 28 28 HIS CA C 28 56.700 58.256 -1.556 1
1 311 . 15 1 1 A 28 28 HIS CB C 28 27.500 30.453 -2.953 1
1 314 . 15 1 1 A 28 28 HIS N N 28 113.400 119.106 -5.706 1
1 315 . 15 1 1 A 29 29 GLY H H 29 7.790 8.227 -0.437 1
1 316 . 15 1 1 A 29 29 GLY HA2 H 29 3.870 3.869 0.001 1
1 317 . 15 1 1 A 29 29 GLY HA3 H 29 3.870 3.875 -0.005 1
1 318 . 15 1 1 A 29 29 GLY C C 29 174.200 174.518 -0.318 1
1 319 . 15 1 1 A 29 29 GLY CA C 29 46.900 46.310 0.590 1
1 320 . 15 1 1 A 29 29 GLY N N 29 109.400 106.961 2.439 1
1 321 . 15 1 1 A 30 30 ILE H H 30 8.120 7.821 0.299 1
1 322 . 15 1 1 A 30 30 ILE HA H 30 4.040 4.555 -0.515 1
1 332 . 15 1 1 A 30 30 ILE C C 30 175.500 174.591 0.909 1
1 333 . 15 1 1 A 30 30 ILE CA C 30 60.000 59.968 0.032 1
1 334 . 15 1 1 A 30 30 ILE CB C 30 38.100 39.836 -1.736 1
1 338 . 15 1 1 A 30 30 ILE N N 30 121.800 120.581 1.219 1
1 339 . 15 1 1 A 31 31 ASP H H 31 8.430 8.839 -0.409 1
1 340 . 15 1 1 A 31 31 ASP HA H 31 4.650 5.124 -0.474 1
1 343 . 15 1 1 A 31 31 ASP C C 31 175.800 174.714 1.086 1
1 344 . 15 1 1 A 31 31 ASP CA C 31 54.600 54.225 0.375 1
1 345 . 15 1 1 A 31 31 ASP CB C 31 41.600 41.688 -0.088 1
1 346 . 15 1 1 A 31 31 ASP N N 31 128.500 126.996 1.504 1
1 347 . 15 1 1 A 32 32 TYR H H 32 7.920 9.080 -1.160 1
1 348 . 15 1 1 A 32 32 TYR HA H 32 5.500 5.394 0.106 1
1 355 . 15 1 1 A 32 32 TYR C C 32 173.800 175.059 -1.259 1
1 356 . 15 1 1 A 32 32 TYR CA C 32 56.100 55.849 0.251 1
1 357 . 15 1 1 A 32 32 TYR CB C 32 41.700 41.324 0.376 1
1 362 . 15 1 1 A 32 32 TYR N N 32 117.500 122.954 -5.454 1
1 363 . 15 1 1 A 33 33 THR H H 33 8.900 8.810 0.090 1
1 364 . 15 1 1 A 33 33 THR HA H 33 4.470 4.578 -0.108 1
1 369 . 15 1 1 A 33 33 THR C C 33 172.900 173.699 -0.799 1
1 370 . 15 1 1 A 33 33 THR CA C 33 61.800 62.273 -0.473 1
1 371 . 15 1 1 A 33 33 THR CB C 33 70.800 69.199 1.601 1
1 373 . 15 1 1 A 33 33 THR N N 33 117.100 119.372 -2.272 1
1 374 . 15 1 1 A 34 34 PHE H H 34 9.280 9.025 0.255 1
1 375 . 15 1 1 A 34 34 PHE HA H 34 5.520 4.689 0.831 1
1 383 . 15 1 1 A 34 34 PHE CA C 34 53.900 57.964 -4.064 1
1 384 . 15 1 1 A 34 34 PHE CB C 34 39.900 39.399 0.501 1
1 390 . 15 1 1 A 34 34 PHE N N 34 128.200 128.232 -0.032 1
1 391 . 15 1 1 A 35 35 HIS H H 35 9.210 8.888 0.322 1
1 392 . 15 1 1 A 35 35 HIS HA H 35 4.240 4.527 -0.287 1
1 397 . 15 1 1 A 35 35 HIS CA C 35 54.900 53.730 1.170 1
1 398 . 15 1 1 A 35 35 HIS CB C 35 30.700 32.233 -1.533 1
1 401 . 15 1 1 A 35 35 HIS N N 35 133.900 125.345 8.555 1
1 402 . 15 1 1 A 36 36 ASP H H 36 7.930 8.115 -0.185 1
1 403 . 15 1 1 A 36 36 ASP HA H 36 4.470 4.838 -0.368 1
1 406 . 15 1 1 A 36 36 ASP C C 36 178.500 176.698 1.802 1
1 407 . 15 1 1 A 36 36 ASP CA C 36 50.900 54.124 -3.224 1
1 408 . 15 1 1 A 36 36 ASP CB C 36 42.200 42.963 -0.763 1
1 409 . 15 1 1 A 36 36 ASP N N 36 127.000 123.876 3.124 1
1 410 . 15 1 1 A 37 37 TYR H H 37 9.290 9.071 0.219 1
1 417 . 15 1 1 A 37 37 TYR C C 37 178.700 177.527 1.173 1
1 418 . 15 1 1 A 37 37 TYR CA C 37 58.700 61.042 -2.342 1
1 419 . 15 1 1 A 37 37 TYR CB C 37 39.100 37.996 1.104 1
1 424 . 15 1 1 A 37 37 TYR N N 37 126.400 124.890 1.510 1
1 425 . 15 1 1 A 38 38 LYS H H 38 8.880 7.513 1.367 1
1 426 . 15 1 1 A 38 38 LYS HA H 38 4.300 3.769 0.531 1
1 429 . 15 1 1 A 38 38 LYS CA C 38 57.700 59.100 -1.400 1
1 430 . 15 1 1 A 38 38 LYS CB C 38 31.600 31.928 -0.328 1
1 434 . 15 1 1 A 38 38 LYS N N 38 115.800 122.310 -6.510 1
1 435 . 15 1 1 A 39 39 LYS H H 39 7.330 7.920 -0.590 1
1 436 . 15 1 1 A 39 39 LYS HA H 39 4.420 3.819 0.601 1
1 443 . 15 1 1 A 39 39 LYS CA C 39 57.500 59.648 -2.148 1
1 444 . 15 1 1 A 39 39 LYS CB C 39 34.600 32.241 2.359 1
1 448 . 15 1 1 A 39 39 LYS N N 39 118.800 118.917 -0.117 1
1 449 . 15 1 1 A 40 40 GLU H H 40 8.570 8.109 0.461 1
1 450 . 15 1 1 A 40 40 GLU HA H 40 4.280 4.173 0.107 1
1 455 . 15 1 1 A 40 40 GLU CA C 40 57.900 56.438 1.462 1
1 456 . 15 1 1 A 40 40 GLU CB C 40 29.300 30.167 -0.867 1
1 458 . 15 1 1 A 40 40 GLU N N 40 117.600 115.840 1.760 1
1 459 . 15 1 1 A 41 41 GLY H H 41 7.470 7.911 -0.441 1
1 460 . 15 1 1 A 41 41 GLY HA2 H 41 4.310 3.894 0.416 1
1 461 . 15 1 1 A 41 41 GLY HA3 H 41 4.170 3.895 0.275 1
1 462 . 15 1 1 A 41 41 GLY CA C 41 44.900 46.411 -1.511 1
1 463 . 15 1 1 A 41 41 GLY N N 41 106.300 108.703 -2.403 1
1 464 . 15 1 1 A 42 42 LEU H H 42 8.290 8.389 -0.099 1
1 465 . 15 1 1 A 42 42 LEU HA H 42 4.950 4.901 0.049 1
1 475 . 15 1 1 A 42 42 LEU C C 42 173.800 174.931 -1.131 1
1 476 . 15 1 1 A 42 42 LEU CA C 42 54.500 54.503 -0.003 1
1 477 . 15 1 1 A 42 42 LEU CB C 42 43.400 42.478 0.922 1
1 481 . 15 1 1 A 42 42 LEU N N 42 121.000 124.271 -3.271 1
1 482 . 15 1 1 A 43 43 ASP H H 43 8.520 8.334 0.186 1
1 483 . 15 1 1 A 43 43 ASP HA H 43 4.800 4.968 -0.168 1
1 486 . 15 1 1 A 43 43 ASP C C 43 175.400 176.811 -1.411 1
1 487 . 15 1 1 A 43 43 ASP CA C 43 51.600 52.110 -0.510 1
1 488 . 15 1 1 A 43 43 ASP CB C 43 42.200 43.792 -1.592 1
1 489 . 15 1 1 A 43 43 ASP N N 43 124.800 127.498 -2.698 1
1 490 . 15 1 1 A 44 44 ALA H H 44 8.640 8.730 -0.090 1
1 491 . 15 1 1 A 44 44 ALA HA H 44 3.780 4.021 -0.241 1
1 495 . 15 1 1 A 44 44 ALA C C 44 178.100 179.711 -1.611 1
1 496 . 15 1 1 A 44 44 ALA CA C 44 55.400 55.640 -0.240 1
1 497 . 15 1 1 A 44 44 ALA CB C 44 18.100 18.207 -0.107 1
1 498 . 15 1 1 A 44 44 ALA N N 44 122.400 125.653 -3.253 1
1 499 . 15 1 1 A 45 45 GLU H H 45 8.240 8.204 0.036 1
1 500 . 15 1 1 A 45 45 GLU HA H 45 3.920 3.987 -0.067 1
1 505 . 15 1 1 A 45 45 GLU C C 45 179.300 179.012 0.288 1
1 506 . 15 1 1 A 45 45 GLU CA C 45 59.800 59.892 -0.092 1
1 507 . 15 1 1 A 45 45 GLU CB C 45 29.200 29.289 -0.089 1
1 509 . 15 1 1 A 45 45 GLU N N 45 115.600 118.640 -3.040 1
1 510 . 15 1 1 A 46 46 THR H H 46 7.910 8.047 -0.137 1
1 511 . 15 1 1 A 46 46 THR HA H 46 3.500 3.730 -0.230 1
1 516 . 15 1 1 A 46 46 THR C C 46 174.300 175.993 -1.693 1
1 517 . 15 1 1 A 46 46 THR CA C 46 66.600 67.200 -0.600 1
1 518 . 15 1 1 A 46 46 THR CB C 46 67.700 68.610 -0.910 1
1 520 . 15 1 1 A 46 46 THR N N 46 117.700 116.456 1.244 1
1 521 . 15 1 1 A 47 47 LEU H H 47 7.710 8.226 -0.516 1
1 522 . 15 1 1 A 47 47 LEU HA H 47 3.510 4.131 -0.621 1
1 532 . 15 1 1 A 47 47 LEU C C 47 178.000 178.168 -0.168 1
1 533 . 15 1 1 A 47 47 LEU CA C 47 57.900 58.425 -0.525 1
1 534 . 15 1 1 A 47 47 LEU CB C 47 41.500 41.277 0.223 1
1 538 . 15 1 1 A 47 47 LEU N N 47 120.400 120.934 -0.534 1
1 539 . 15 1 1 A 48 48 ASP H H 48 9.000 8.645 0.355 1
1 540 . 15 1 1 A 48 48 ASP HA H 48 4.490 4.235 0.255 1
1 543 . 15 1 1 A 48 48 ASP C C 48 179.100 178.740 0.360 1
1 544 . 15 1 1 A 48 48 ASP CA C 48 57.500 57.844 -0.344 1
1 545 . 15 1 1 A 48 48 ASP CB C 48 39.100 41.909 -2.809 1
1 546 . 15 1 1 A 48 48 ASP N N 48 116.800 118.762 -1.962 1
1 547 . 15 1 1 A 49 49 ARG H H 49 7.560 8.014 -0.454 1
1 548 . 15 1 1 A 49 49 ARG HA H 49 4.110 3.996 0.114 1
1 555 . 15 1 1 A 49 49 ARG C C 49 180.100 179.147 0.953 1
1 556 . 15 1 1 A 49 49 ARG CA C 49 60.300 59.382 0.918 1
1 557 . 15 1 1 A 49 49 ARG CB C 49 29.600 29.483 0.117 1
1 560 . 15 1 1 A 49 49 ARG N N 49 122.100 118.261 3.839 1
1 561 . 15 1 1 A 50 50 PHE H H 50 8.300 7.911 0.389 1
1 562 . 15 1 1 A 50 50 PHE HA H 50 4.550 4.340 0.210 1
1 569 . 15 1 1 A 50 50 PHE C C 50 178.400 178.252 0.148 1
1 570 . 15 1 1 A 50 50 PHE CA C 50 57.500 60.920 -3.420 1
1 571 . 15 1 1 A 50 50 PHE CB C 50 36.900 38.710 -1.810 1
1 576 . 15 1 1 A 50 50 PHE N N 50 122.100 119.136 2.964 1
1 577 . 15 1 1 A 51 51 LEU H H 51 8.460 8.361 0.099 1
1 587 . 15 1 1 A 51 51 LEU CA C 51 55.920 58.137 -2.217 1
1 588 . 15 1 1 A 51 51 LEU CB C 51 42.400 41.957 0.443 1
1 592 . 15 1 1 A 51 51 LEU N N 51 117.000 121.550 -4.550 1
1 593 . 15 1 1 A 52 52 LYS H H 52 7.660 8.291 -0.631 1
1 594 . 15 1 1 A 52 52 LYS HA H 52 4.180 4.130 0.050 1
1 603 . 15 1 1 A 52 52 LYS C C 52 178.300 178.537 -0.237 1
1 604 . 15 1 1 A 52 52 LYS CA C 52 58.700 59.429 -0.729 1
1 605 . 15 1 1 A 52 52 LYS CB C 52 32.700 32.040 0.660 1
1 609 . 15 1 1 A 52 52 LYS N N 52 119.100 118.882 0.218 1
1 610 . 15 1 1 A 53 53 THR H H 53 7.430 7.241 0.189 1
1 611 . 15 1 1 A 53 53 THR HA H 53 4.570 4.368 0.202 1
1 616 . 15 1 1 A 53 53 THR C C 53 173.800 174.725 -0.925 1
1 617 . 15 1 1 A 53 53 THR CA C 53 62.600 64.054 -1.454 1
1 618 . 15 1 1 A 53 53 THR CB C 53 70.800 70.062 0.738 1
1 620 . 15 1 1 A 53 53 THR N N 53 107.400 111.579 -4.179 1
1 621 . 15 1 1 A 54 54 VAL H H 54 8.500 8.001 0.499 1
1 622 . 15 1 1 A 54 54 VAL HA H 54 4.540 4.647 -0.107 1
1 630 . 15 1 1 A 54 54 VAL C C 54 179.400 173.468 5.932 1
1 631 . 15 1 1 A 54 54 VAL CA C 54 59.100 59.024 0.076 1
1 632 . 15 1 1 A 54 54 VAL CB C 54 33.500 35.506 -2.006 1
1 635 . 15 1 1 A 54 54 VAL N N 54 125.200 119.462 5.738 1
1 636 . 15 1 1 A 55 55 PRO HA H 55 4.590 4.641 -0.051 1
1 643 . 15 1 1 A 55 55 PRO C C 55 179.400 177.704 1.696 1
1 644 . 15 1 1 A 55 55 PRO CA C 55 62.100 62.727 -0.627 1
1 645 . 15 1 1 A 55 55 PRO CB C 55 32.900 32.258 0.642 1
1 648 . 15 1 1 A 56 56 TRP H H 56 8.690 8.856 -0.166 1
1 649 . 15 1 1 A 56 56 TRP HA H 56 3.990 4.312 -0.322 1
1 657 . 15 1 1 A 56 56 TRP C C 56 177.500 177.968 -0.468 1
1 658 . 15 1 1 A 56 56 TRP CA C 56 61.000 60.283 0.717 1
1 659 . 15 1 1 A 56 56 TRP CB C 56 27.400 28.717 -1.317 1
1 664 . 15 1 1 A 56 56 TRP N N 56 122.500 125.368 -2.868 1
1 666 . 15 1 1 A 57 57 GLU H H 57 8.410 7.942 0.468 1
1 667 . 15 1 1 A 57 57 GLU HA H 57 3.270 3.694 -0.424 1
1 672 . 15 1 1 A 57 57 GLU C C 57 178.000 176.988 1.012 1
1 673 . 15 1 1 A 57 57 GLU CA C 57 60.200 58.586 1.614 1
1 674 . 15 1 1 A 57 57 GLU CB C 57 28.200 28.435 -0.235 1
1 676 . 15 1 1 A 57 57 GLU N N 57 120.600 118.773 1.827 1
1 677 . 15 1 1 A 58 58 GLN H H 58 7.600 7.742 -0.142 1
1 678 . 15 1 1 A 58 58 GLN HA H 58 4.170 4.595 -0.425 1
1 683 . 15 1 1 A 58 58 GLN C C 58 175.500 176.223 -0.723 1
1 684 . 15 1 1 A 58 58 GLN CA C 58 56.000 54.595 1.405 1
1 685 . 15 1 1 A 58 58 GLN CB C 58 29.600 29.008 0.592 1
1 687 . 15 1 1 A 58 58 GLN N N 58 114.700 118.407 -3.707 1
1 688 . 15 1 1 A 59 59 LEU H H 59 7.440 8.302 -0.862 1
1 689 . 15 1 1 A 59 59 LEU HA H 59 4.220 4.606 -0.386 1
1 699 . 15 1 1 A 59 59 LEU C C 59 175.100 176.202 -1.102 1
1 700 . 15 1 1 A 59 59 LEU CA C 59 55.600 55.705 -0.105 1
1 701 . 15 1 1 A 59 59 LEU CB C 59 44.700 44.860 -0.160 1
1 705 . 15 1 1 A 59 59 LEU N N 59 119.500 120.849 -1.349 1
1 706 . 15 1 1 A 60 60 LEU H H 60 8.120 7.250 0.870 1
1 707 . 15 1 1 A 60 60 LEU HA H 60 4.410 5.019 -0.609 1
1 717 . 15 1 1 A 60 60 LEU C C 60 176.100 176.065 0.035 1
1 718 . 15 1 1 A 60 60 LEU CA C 60 55.400 52.750 2.650 1
1 719 . 15 1 1 A 60 60 LEU CB C 60 42.900 44.929 -2.029 1
1 723 . 15 1 1 A 60 60 LEU N N 60 119.300 115.330 3.970 1
1 724 . 15 1 1 A 61 61 ASN H H 61 9.120 8.445 0.675 1
1 729 . 15 1 1 A 61 61 ASN C C 61 175.600 174.906 0.694 1
1 730 . 15 1 1 A 61 61 ASN CA C 61 51.300 53.856 -2.556 1
1 731 . 15 1 1 A 61 61 ASN CB C 61 36.800 38.934 -2.134 1
1 732 . 15 1 1 A 61 61 ASN N N 61 124.900 117.391 7.509 1
1 734 . 15 1 1 A 62 62 ARG H H 62 8.140 9.004 -0.864 1
1 735 . 15 1 1 A 62 62 ARG HA H 62 3.450 4.280 -0.830 1
1 742 . 15 1 1 A 62 62 ARG C C 62 175.200 177.481 -2.281 1
1 743 . 15 1 1 A 62 62 ARG CA C 62 57.600 57.261 0.339 1
1 744 . 15 1 1 A 62 62 ARG CB C 62 30.200 31.553 -1.353 1
1 747 . 15 1 1 A 62 62 ARG N N 62 125.500 122.171 3.329 1
1 748 . 15 1 1 A 63 63 ALA H H 63 7.610 7.630 -0.020 1
1 749 . 15 1 1 A 63 63 ALA HA H 63 4.460 4.375 0.085 1
1 753 . 15 1 1 A 63 63 ALA C C 63 178.300 177.511 0.789 1
1 754 . 15 1 1 A 63 63 ALA CA C 63 51.800 51.690 0.110 1
1 755 . 15 1 1 A 63 63 ALA CB C 63 19.300 18.638 0.662 1
1 756 . 15 1 1 A 63 63 ALA N N 63 118.600 119.101 -0.501 1
1 757 . 15 1 1 A 64 64 GLY H H 64 7.150 8.388 -1.238 1
1 758 . 15 1 1 A 64 64 GLY HA2 H 64 4.410 4.084 0.326 1
1 759 . 15 1 1 A 64 64 GLY HA3 H 64 4.020 4.097 -0.077 1
1 760 . 15 1 1 A 64 64 GLY C C 64 173.500 174.895 -1.395 1
1 761 . 15 1 1 A 64 64 GLY CA C 64 45.400 44.733 0.667 1
1 762 . 15 1 1 A 64 64 GLY N N 64 105.700 107.216 -1.516 1
1 763 . 15 1 1 A 65 65 THR H H 65 8.340 8.967 -0.627 1
1 764 . 15 1 1 A 65 65 THR HA H 65 3.880 4.058 -0.178 1
1 769 . 15 1 1 A 65 65 THR C C 65 176.300 176.417 -0.117 1
1 770 . 15 1 1 A 65 65 THR CA C 65 65.500 65.495 0.005 1
1 771 . 15 1 1 A 65 65 THR CB C 65 69.000 68.478 0.522 1
1 773 . 15 1 1 A 65 65 THR N N 65 113.400 114.634 -1.234 1
1 774 . 15 1 1 A 66 66 THR H H 66 7.940 8.229 -0.289 1
1 775 . 15 1 1 A 66 66 THR HA H 66 3.820 4.153 -0.333 1
1 780 . 15 1 1 A 66 66 THR C C 66 176.100 176.722 -0.622 1
1 781 . 15 1 1 A 66 66 THR CA C 66 67.000 65.877 1.123 1
1 782 . 15 1 1 A 66 66 THR CB C 66 68.000 68.076 -0.076 1
1 784 . 15 1 1 A 66 66 THR N N 66 116.200 114.355 1.845 1
1 785 . 15 1 1 A 67 67 PHE H H 67 8.720 7.830 0.890 1
1 786 . 15 1 1 A 67 67 PHE HA H 67 4.130 4.184 -0.054 1
1 793 . 15 1 1 A 67 67 PHE C C 67 176.900 177.535 -0.635 1
1 794 . 15 1 1 A 67 67 PHE CA C 67 61.500 60.742 0.758 1
1 795 . 15 1 1 A 67 67 PHE CB C 67 39.800 39.023 0.777 1
1 800 . 15 1 1 A 67 67 PHE N N 67 122.400 123.783 -1.383 1
1 801 . 15 1 1 A 68 68 ARG H H 68 7.750 7.819 -0.069 1
1 802 . 15 1 1 A 68 68 ARG HA H 68 3.790 4.398 -0.608 1
1 809 . 15 1 1 A 68 68 ARG C C 68 176.800 178.775 -1.975 1
1 810 . 15 1 1 A 68 68 ARG CA C 68 59.200 58.556 0.644 1
1 811 . 15 1 1 A 68 68 ARG CB C 68 30.200 30.165 0.035 1
1 814 . 15 1 1 A 68 68 ARG N N 68 114.400 117.908 -3.508 1
1 815 . 15 1 1 A 69 69 LYS H H 69 7.360 7.725 -0.365 1
1 816 . 15 1 1 A 69 69 LYS HA H 69 4.190 4.055 0.135 1
1 819 . 15 1 1 A 69 69 LYS C C 69 177.400 176.951 0.449 1
1 820 . 15 1 1 A 69 69 LYS CA C 69 56.700 58.893 -2.193 1
1 821 . 15 1 1 A 69 69 LYS CB C 69 33.000 32.411 0.589 1
1 825 . 15 1 1 A 69 69 LYS N N 69 115.600 119.533 -3.933 1
1 826 . 15 1 1 A 70 70 LEU H H 70 7.440 7.151 0.289 1
1 827 . 15 1 1 A 70 70 LEU HA H 70 4.350 4.410 -0.060 1
1 830 . 15 1 1 A 70 70 LEU CA C 70 53.800 52.858 0.942 1
1 831 . 15 1 1 A 70 70 LEU CB C 70 41.000 40.819 0.181 1
1 832 . 15 1 1 A 70 70 LEU N N 70 121.400 120.923 0.477 1
1 833 . 15 1 1 A 71 71 PRO HA H 71 4.460 4.543 -0.083 1
1 840 . 15 1 1 A 71 71 PRO C C 71 177.500 177.254 0.246 1
1 841 . 15 1 1 A 71 71 PRO CA C 71 62.800 62.289 0.511 1
1 842 . 15 1 1 A 71 71 PRO CB C 71 32.600 33.319 -0.719 1
1 845 . 15 1 1 A 72 72 GLU H H 72 9.010 8.740 0.270 1
1 846 . 15 1 1 A 72 72 GLU HA H 72 3.650 4.044 -0.394 1
1 851 . 15 1 1 A 72 72 GLU C C 72 177.600 178.734 -1.134 1
1 852 . 15 1 1 A 72 72 GLU CA C 72 60.500 59.279 1.221 1
1 853 . 15 1 1 A 72 72 GLU CB C 72 29.900 29.076 0.824 1
1 855 . 15 1 1 A 72 72 GLU N N 72 124.100 121.788 2.312 1
1 856 . 15 1 1 A 73 73 ASP H H 73 8.860 8.067 0.793 1
1 857 . 15 1 1 A 73 73 ASP HA H 73 4.290 4.424 -0.134 1
1 860 . 15 1 1 A 73 73 ASP C C 73 177.600 178.747 -1.147 1
1 861 . 15 1 1 A 73 73 ASP CA C 73 56.700 57.211 -0.511 1
1 862 . 15 1 1 A 73 73 ASP CB C 73 39.300 40.797 -1.497 1
1 863 . 15 1 1 A 73 73 ASP N N 73 116.200 120.447 -4.247 1
1 864 . 15 1 1 A 74 74 VAL H H 74 7.120 8.084 -0.964 1
1 865 . 15 1 1 A 74 74 VAL HA H 74 3.740 3.548 0.192 1
1 873 . 15 1 1 A 74 74 VAL C C 74 178.200 178.044 0.156 1
1 874 . 15 1 1 A 74 74 VAL CA C 74 65.000 67.221 -2.221 1
1 875 . 15 1 1 A 74 74 VAL CB C 74 32.100 31.238 0.862 1
1 878 . 15 1 1 A 74 74 VAL N N 74 120.400 120.110 0.290 1
1 879 . 15 1 1 A 75 75 ARG H H 75 7.700 7.725 -0.025 1
1 880 . 15 1 1 A 75 75 ARG HA H 75 3.790 3.932 -0.142 1
1 887 . 15 1 1 A 75 75 ARG C C 75 178.500 177.344 1.156 1
1 888 . 15 1 1 A 75 75 ARG CA C 75 59.600 59.036 0.564 1
1 889 . 15 1 1 A 75 75 ARG CB C 75 31.100 29.849 1.251 1
1 892 . 15 1 1 A 75 75 ARG N N 75 115.900 119.771 -3.871 1
1 893 . 15 1 1 A 76 76 SER H H 76 8.260 7.772 0.488 1
1 894 . 15 1 1 A 76 76 SER HA H 76 4.380 4.518 -0.138 1
1 897 . 15 1 1 A 76 76 SER C C 76 174.700 175.603 -0.903 1
1 898 . 15 1 1 A 76 76 SER CA C 76 60.500 60.366 0.134 1
1 899 . 15 1 1 A 76 76 SER CB C 76 63.500 63.956 -0.456 1
1 900 . 15 1 1 A 76 76 SER N N 76 111.800 115.354 -3.554 1
1 901 . 15 1 1 A 77 77 ASN H H 77 7.380 8.057 -0.677 1
1 902 . 15 1 1 A 77 77 ASN HA H 77 5.010 4.851 0.159 1
1 907 . 15 1 1 A 77 77 ASN C C 77 174.300 173.870 0.430 1
1 908 . 15 1 1 A 77 77 ASN CA C 77 52.600 52.938 -0.338 1
1 909 . 15 1 1 A 77 77 ASN CB C 77 39.800 39.193 0.607 1
1 910 . 15 1 1 A 77 77 ASN N N 77 118.000 116.950 1.050 1
1 912 . 15 1 1 A 78 78 VAL H H 78 7.300 7.492 -0.192 1
1 913 . 15 1 1 A 78 78 VAL HA H 78 3.850 4.576 -0.726 1
1 921 . 15 1 1 A 78 78 VAL C C 78 173.200 174.508 -1.308 1
1 922 . 15 1 1 A 78 78 VAL CA C 78 63.600 60.277 3.323 1
1 923 . 15 1 1 A 78 78 VAL CB C 78 32.100 34.004 -1.904 1
1 926 . 15 1 1 A 78 78 VAL N N 78 121.200 120.624 0.576 1
1 927 . 15 1 1 A 79 79 ASP H H 79 7.660 8.247 -0.587 1
1 928 . 15 1 1 A 79 79 ASP HA H 79 4.380 4.874 -0.494 1
1 931 . 15 1 1 A 79 79 ASP C C 79 173.700 176.321 -2.621 1
1 932 . 15 1 1 A 79 79 ASP CA C 79 51.500 51.749 -0.249 1
1 933 . 15 1 1 A 79 79 ASP CB C 79 41.800 42.640 -0.840 1
1 934 . 15 1 1 A 79 79 ASP N N 79 127.000 128.110 -1.110 1
1 935 . 15 1 1 A 80 80 ALA H H 80 8.110 8.675 -0.565 1
1 936 . 15 1 1 A 80 80 ALA HA H 80 2.420 3.672 -1.252 1
1 940 . 15 1 1 A 80 80 ALA C C 80 178.700 179.738 -1.038 1
1 941 . 15 1 1 A 80 80 ALA CA C 80 55.600 55.455 0.145 1
1 942 . 15 1 1 A 80 80 ALA CB C 80 18.600 18.252 0.348 1
1 943 . 15 1 1 A 80 80 ALA N N 80 119.900 121.381 -1.481 1
1 944 . 15 1 1 A 81 81 ALA H H 81 7.760 8.130 -0.370 1
1 945 . 15 1 1 A 81 81 ALA HA H 81 4.030 3.927 0.103 1
1 949 . 15 1 1 A 81 81 ALA C C 81 180.700 179.683 1.017 1
1 950 . 15 1 1 A 81 81 ALA CA C 81 54.800 55.224 -0.424 1
1 951 . 15 1 1 A 81 81 ALA CB C 81 18.300 18.608 -0.308 1
1 952 . 15 1 1 A 81 81 ALA N N 81 118.500 119.924 -1.424 1
1 953 . 15 1 1 A 82 82 SER H H 82 8.480 8.077 0.403 1
1 954 . 15 1 1 A 82 82 SER HA H 82 4.240 3.964 0.276 1
1 957 . 15 1 1 A 82 82 SER C C 82 177.200 176.829 0.371 1
1 958 . 15 1 1 A 82 82 SER CA C 82 60.300 61.347 -1.047 1
1 959 . 15 1 1 A 82 82 SER CB C 82 62.700 62.722 -0.022 1
1 960 . 15 1 1 A 82 82 SER N N 82 115.300 112.602 2.698 1
1 961 . 15 1 1 A 83 83 ALA H H 83 8.970 8.175 0.795 1
1 962 . 15 1 1 A 83 83 ALA HA H 83 3.820 3.844 -0.024 1
1 966 . 15 1 1 A 83 83 ALA C C 83 178.600 180.114 -1.514 1
1 967 . 15 1 1 A 83 83 ALA CA C 83 55.600 55.202 0.398 1
1 968 . 15 1 1 A 83 83 ALA CB C 83 19.400 17.775 1.625 1
1 969 . 15 1 1 A 83 83 ALA N N 83 124.700 122.216 2.484 1
1 970 . 15 1 1 A 84 84 ARG H H 84 7.250 8.325 -1.075 1
1 971 . 15 1 1 A 84 84 ARG HA H 84 3.740 4.112 -0.372 1
1 978 . 15 1 1 A 84 84 ARG C C 84 176.600 179.092 -2.492 1
1 979 . 15 1 1 A 84 84 ARG CA C 84 60.100 59.694 0.406 1
1 980 . 15 1 1 A 84 84 ARG CB C 84 29.900 29.834 0.066 1
1 983 . 15 1 1 A 84 84 ARG N N 84 116.500 117.368 -0.868 1
1 984 . 15 1 1 A 85 85 GLU H H 85 7.240 7.972 -0.732 1
1 985 . 15 1 1 A 85 85 GLU HA H 85 3.890 4.072 -0.182 1
1 990 . 15 1 1 A 85 85 GLU C C 85 179.800 179.727 0.073 1
1 991 . 15 1 1 A 85 85 GLU CA C 85 59.200 58.590 0.610 1
1 992 . 15 1 1 A 85 85 GLU CB C 85 29.300 30.027 -0.727 1
1 994 . 15 1 1 A 85 85 GLU N N 85 115.600 120.376 -4.776 1
1 995 . 15 1 1 A 86 86 LEU H H 86 8.620 8.679 -0.059 1
1 996 . 15 1 1 A 86 86 LEU HA H 86 4.030 3.955 0.075 1
1 1006 . 15 1 1 A 86 86 LEU C C 86 178.600 178.823 -0.223 1
1 1007 . 15 1 1 A 86 86 LEU CA C 86 58.100 57.820 0.280 1
1 1008 . 15 1 1 A 86 86 LEU CB C 86 42.200 41.499 0.701 1
1 1012 . 15 1 1 A 86 86 LEU N N 86 120.800 120.440 0.360 1
1 1013 . 15 1 1 A 87 87 MET H H 87 7.840 8.070 -0.230 1
1 1014 . 15 1 1 A 87 87 MET HA H 87 3.680 4.185 -0.505 1
1 1022 . 15 1 1 A 87 87 MET C C 87 175.600 178.443 -2.843 1
1 1023 . 15 1 1 A 87 87 MET CA C 87 60.000 58.712 1.288 1
1 1024 . 15 1 1 A 87 87 MET CB C 87 34.300 31.894 2.406 1
1 1027 . 15 1 1 A 87 87 MET N N 87 116.700 115.734 0.966 1
1 1028 . 15 1 1 A 88 88 LEU H H 88 7.490 8.228 -0.738 1
1 1029 . 15 1 1 A 88 88 LEU HA H 88 3.890 4.050 -0.160 1
1 1039 . 15 1 1 A 88 88 LEU C C 88 179.200 178.116 1.084 1
1 1040 . 15 1 1 A 88 88 LEU CA C 88 57.000 58.385 -1.385 1
1 1041 . 15 1 1 A 88 88 LEU CB C 88 41.800 41.965 -0.165 1
1 1045 . 15 1 1 A 88 88 LEU N N 88 113.400 121.941 -8.541 1
1 1046 . 15 1 1 A 89 89 ALA H H 89 7.690 7.869 -0.179 1
1 1047 . 15 1 1 A 89 89 ALA HA H 89 4.210 4.258 -0.048 1
1 1051 . 15 1 1 A 89 89 ALA C C 89 179.100 178.077 1.023 1
1 1052 . 15 1 1 A 89 89 ALA CA C 89 54.100 54.698 -0.598 1
1 1053 . 15 1 1 A 89 89 ALA CB C 89 19.200 18.932 0.268 1
1 1054 . 15 1 1 A 89 89 ALA N N 89 119.100 119.901 -0.801 1
1 1055 . 15 1 1 A 90 90 GLN H H 90 8.100 7.704 0.396 1
1 1062 . 15 1 1 A 90 90 GLN CA C 90 53.400 53.649 -0.249 1
1 1063 . 15 1 1 A 90 90 GLN CB C 90 30.900 29.508 1.392 1
1 1064 . 15 1 1 A 90 90 GLN N N 90 115.100 116.688 -1.588 1
1 1066 . 15 1 1 A 91 91 PRO HA H 91 4.530 4.592 -0.062 1
1 1073 . 15 1 1 A 91 91 PRO C C 91 178.300 177.362 0.938 1
1 1074 . 15 1 1 A 91 91 PRO CA C 91 64.300 64.033 0.267 1
1 1075 . 15 1 1 A 91 91 PRO CB C 91 31.800 31.865 -0.065 1
1 1078 . 15 1 1 A 92 92 SER H H 92 8.510 8.143 0.367 1
1 1079 . 15 1 1 A 92 92 SER HA H 92 4.310 4.027 0.283 1
1 1082 . 15 1 1 A 92 92 SER C C 92 174.200 175.589 -1.389 1
1 1083 . 15 1 1 A 92 92 SER CA C 92 62.000 59.956 2.044 1
1 1084 . 15 1 1 A 92 92 SER CB C 92 62.500 62.469 0.031 1
1 1085 . 15 1 1 A 92 92 SER N N 92 115.000 112.828 2.172 1
1 1086 . 15 1 1 A 93 93 MET H H 93 8.790 7.526 1.264 1
1 1087 . 15 1 1 A 93 93 MET HA H 93 4.560 4.483 0.077 1
1 1092 . 15 1 1 A 93 93 MET C C 93 174.900 176.578 -1.678 1
1 1093 . 15 1 1 A 93 93 MET CA C 93 56.900 56.564 0.336 1
1 1094 . 15 1 1 A 93 93 MET CB C 93 35.000 33.164 1.836 1
1 1096 . 15 1 1 A 93 93 MET N N 93 118.400 117.854 0.546 1
1 1097 . 15 1 1 A 94 94 VAL H H 94 7.540 7.508 0.032 1
1 1098 . 15 1 1 A 94 94 VAL HA H 94 4.080 4.152 -0.072 1
1 1106 . 15 1 1 A 94 94 VAL C C 94 178.000 175.775 2.225 1
1 1107 . 15 1 1 A 94 94 VAL CA C 94 63.100 63.104 -0.004 1
1 1108 . 15 1 1 A 94 94 VAL CB C 94 31.700 32.099 -0.399 1
1 1111 . 15 1 1 A 94 94 VAL N N 94 121.000 121.092 -0.092 1
1 1112 . 15 1 1 A 95 95 LYS H H 95 9.550 8.721 0.829 1
1 1113 . 15 1 1 A 95 95 LYS HA H 95 3.940 4.446 -0.506 1
1 1116 . 15 1 1 A 95 95 LYS CA C 95 58.800 56.478 2.322 1
1 1117 . 15 1 1 A 95 95 LYS CB C 95 33.500 32.706 0.794 1
1 1121 . 15 1 1 A 95 95 LYS N N 95 131.200 126.143 5.057 1
1 1122 . 15 1 1 A 96 96 ARG H H 96 8.260 8.705 -0.445 1
1 1125 . 15 1 1 A 96 96 ARG CA C 96 52.700 52.677 0.023 1
1 1126 . 15 1 1 A 96 96 ARG CB C 96 34.400 31.653 2.747 1
1 1127 . 15 1 1 A 96 96 ARG N N 96 117.100 124.013 -6.913 1
1 1134 . 15 1 1 A 97 97 PRO C C 97 176.600 175.134 1.466 1
1 1135 . 15 1 1 A 97 97 PRO CA C 97 62.400 62.356 0.044 1
1 1136 . 15 1 1 A 97 97 PRO CB C 97 34.700 33.143 1.557 1
1 1139 . 15 1 1 A 98 98 VAL H H 98 7.540 8.189 -0.649 1
1 1140 . 15 1 1 A 98 98 VAL HA H 98 4.460 4.786 -0.326 1
1 1148 . 15 1 1 A 98 98 VAL C C 98 173.500 174.545 -1.045 1
1 1149 . 15 1 1 A 98 98 VAL CA C 98 64.000 60.406 3.594 1
1 1150 . 15 1 1 A 98 98 VAL CB C 98 33.600 35.892 -2.292 1
1 1153 . 15 1 1 A 98 98 VAL N N 98 117.800 119.559 -1.759 1
1 1154 . 15 1 1 A 99 99 LEU H H 99 9.030 9.232 -0.202 1
1 1155 . 15 1 1 A 99 99 LEU HA H 99 5.410 5.162 0.248 1
1 1165 . 15 1 1 A 99 99 LEU C C 99 173.800 175.061 -1.261 1
1 1166 . 15 1 1 A 99 99 LEU CA C 99 54.300 52.842 1.458 1
1 1167 . 15 1 1 A 99 99 LEU CB C 99 45.800 43.213 2.587 1
1 1171 . 15 1 1 A 99 99 LEU N N 99 131.400 127.017 4.383 1
1 1172 . 15 1 1 A 100 100 GLU H H 100 9.390 9.075 0.315 1
1 1173 . 15 1 1 A 100 100 GLU HA H 100 5.050 5.186 -0.136 1
1 1178 . 15 1 1 A 100 100 GLU C C 100 174.200 175.054 -0.854 1
1 1179 . 15 1 1 A 100 100 GLU CA C 100 55.300 54.880 0.420 1
1 1180 . 15 1 1 A 100 100 GLU CB C 100 35.600 32.513 3.087 1
1 1182 . 15 1 1 A 100 100 GLU N N 100 125.800 126.050 -0.250 1
1 1183 . 15 1 1 A 101 101 ARG H H 101 7.610 8.279 -0.669 1
1 1184 . 15 1 1 A 101 101 ARG C C 101 175.900 174.643 1.257 1
1 1185 . 15 1 1 A 101 101 ARG CA C 101 56.700 55.255 1.445 1
1 1186 . 15 1 1 A 101 101 ARG CB C 101 32.500 32.568 -0.068 1
1 1189 . 15 1 1 A 101 101 ARG N N 101 125.100 124.762 0.338 1
1 1190 . 15 1 1 A 102 102 ASP H H 102 10.080 9.331 0.749 1
1 1191 . 15 1 1 A 102 102 ASP HA H 102 4.450 4.418 0.032 1
1 1194 . 15 1 1 A 102 102 ASP C C 102 175.700 176.401 -0.701 1
1 1195 . 15 1 1 A 102 102 ASP CA C 102 55.300 55.336 -0.036 1
1 1196 . 15 1 1 A 102 102 ASP CB C 102 40.500 39.645 0.855 1
1 1197 . 15 1 1 A 102 102 ASP N N 102 132.000 123.197 8.803 1
1 1198 . 15 1 1 A 103 103 GLY H H 103 8.870 8.654 0.216 1
1 1199 . 15 1 1 A 103 103 GLY HA2 H 103 4.120 3.862 0.258 1
1 1200 . 15 1 1 A 103 103 GLY HA3 H 103 3.830 3.866 -0.036 1
1 1201 . 15 1 1 A 103 103 GLY C C 103 174.000 173.826 0.174 1
1 1202 . 15 1 1 A 103 103 GLY CA C 103 45.600 45.884 -0.284 1
1 1203 . 15 1 1 A 103 103 GLY N N 103 102.900 103.930 -1.030 1
1 1204 . 15 1 1 A 104 104 LYS H H 104 8.130 8.286 -0.156 1
1 1205 . 15 1 1 A 104 104 LYS HA H 104 4.650 4.689 -0.039 1
1 1208 . 15 1 1 A 104 104 LYS C C 104 176.500 174.445 2.055 1
1 1209 . 15 1 1 A 104 104 LYS CA C 104 55.500 54.674 0.826 1
1 1210 . 15 1 1 A 104 104 LYS CB C 104 32.600 35.033 -2.433 1
1 1214 . 15 1 1 A 104 104 LYS N N 104 122.400 120.795 1.605 1
1 1215 . 15 1 1 A 105 105 LEU H H 105 8.920 8.772 0.148 1
1 1216 . 15 1 1 A 105 105 LEU HA H 105 5.420 5.305 0.115 1
1 1226 . 15 1 1 A 105 105 LEU C C 105 177.200 174.927 2.273 1
1 1227 . 15 1 1 A 105 105 LEU CA C 105 54.300 53.728 0.572 1
1 1228 . 15 1 1 A 105 105 LEU CB C 105 45.400 44.469 0.931 1
1 1232 . 15 1 1 A 105 105 LEU N N 105 129.200 126.752 2.448 1
1 1233 . 15 1 1 A 106 106 MET H H 106 8.860 8.857 0.003 1
1 1234 . 15 1 1 A 106 106 MET HA H 106 4.580 5.111 -0.531 1
1 1239 . 15 1 1 A 106 106 MET C C 106 174.500 174.763 -0.263 1
1 1240 . 15 1 1 A 106 106 MET CA C 106 55.300 54.145 1.155 1
1 1241 . 15 1 1 A 106 106 MET CB C 106 36.500 35.918 0.582 1
1 1243 . 15 1 1 A 106 106 MET N N 106 121.500 126.608 -5.108 1
1 1244 . 15 1 1 A 107 107 VAL H H 107 9.180 8.379 0.801 1
1 1245 . 15 1 1 A 107 107 VAL HA H 107 4.690 4.408 0.282 1
1 1253 . 15 1 1 A 107 107 VAL C C 107 176.200 175.763 0.437 1
1 1254 . 15 1 1 A 107 107 VAL CA C 107 61.400 61.120 0.280 1
1 1255 . 15 1 1 A 107 107 VAL CB C 107 33.400 32.927 0.473 1
1 1258 . 15 1 1 A 107 107 VAL N N 107 129.500 121.370 8.130 1
1 1259 . 15 1 1 A 108 108 GLY H H 108 8.730 8.460 0.270 1
1 1260 . 15 1 1 A 108 108 GLY HA2 H 108 4.430 3.573 0.857 1
1 1261 . 15 1 1 A 108 108 GLY HA3 H 108 3.850 3.761 0.089 1
1 1262 . 15 1 1 A 108 108 GLY CA C 108 43.800 45.452 -1.652 1
1 1263 . 15 1 1 A 108 108 GLY N N 108 113.600 109.918 3.682 1
1 1271 . 15 1 1 A 109 109 PHE C C 109 172.700 175.686 -2.986 1
1 1272 . 15 1 1 A 109 109 PHE CA C 109 58.900 57.212 1.688 1
1 1273 . 15 1 1 A 109 109 PHE CB C 109 42.100 41.405 0.695 1
1 1279 . 15 1 1 A 110 110 LYS H H 110 6.510 8.596 -2.086 1
1 1282 . 15 1 1 A 110 110 LYS CA C 110 53.500 55.209 -1.709 1
1 1283 . 15 1 1 A 110 110 LYS CB C 110 34.800 31.919 2.881 1
1 1284 . 15 1 1 A 110 110 LYS N N 110 126.600 121.090 5.510 1
1 1285 . 15 1 1 A 111 111 PRO HA H 111 3.360 4.230 -0.870 1
1 1292 . 15 1 1 A 111 111 PRO C C 111 177.100 178.697 -1.597 1
1 1293 . 15 1 1 A 111 111 PRO CA C 111 66.600 65.781 0.819 1
1 1294 . 15 1 1 A 111 111 PRO CB C 111 31.700 31.813 -0.113 1
1 1297 . 15 1 1 A 112 112 ALA H H 112 8.450 8.322 0.128 1
1 1298 . 15 1 1 A 112 112 ALA HA H 112 4.140 4.127 0.013 1
1 1302 . 15 1 1 A 112 112 ALA C C 112 180.300 180.648 -0.348 1
1 1303 . 15 1 1 A 112 112 ALA CA C 112 54.900 55.354 -0.454 1
1 1304 . 15 1 1 A 112 112 ALA CB C 112 18.800 18.477 0.323 1
1 1305 . 15 1 1 A 112 112 ALA N N 112 116.200 118.733 -2.533 1
1 1306 . 15 1 1 A 113 113 GLN H H 113 6.880 7.741 -0.861 1
1 1307 . 15 1 1 A 113 113 GLN HA H 113 4.130 4.099 0.031 1
1 1314 . 15 1 1 A 113 113 GLN C C 113 178.400 178.285 0.115 1
1 1315 . 15 1 1 A 113 113 GLN CA C 113 60.100 58.971 1.129 1
1 1316 . 15 1 1 A 113 113 GLN CB C 113 29.100 28.730 0.370 1
1 1318 . 15 1 1 A 113 113 GLN N N 113 118.200 118.008 0.192 1
1 1320 . 15 1 1 A 114 114 TYR H H 114 7.600 8.266 -0.666 1
1 1321 . 15 1 1 A 114 114 TYR HA H 114 3.800 4.246 -0.446 1
1 1328 . 15 1 1 A 114 114 TYR C C 114 177.100 178.325 -1.225 1
1 1329 . 15 1 1 A 114 114 TYR CA C 114 61.700 61.359 0.341 1
1 1330 . 15 1 1 A 114 114 TYR CB C 114 33.200 38.450 -5.250 1
1 1335 . 15 1 1 A 114 114 TYR N N 114 124.900 121.244 3.656 1
1 1336 . 15 1 1 A 115 115 GLU H H 115 8.610 8.608 0.002 1
1 1337 . 15 1 1 A 115 115 GLU HA H 115 4.160 4.414 -0.254 1
1 1342 . 15 1 1 A 115 115 GLU C C 115 178.800 179.352 -0.552 1
1 1343 . 15 1 1 A 115 115 GLU CA C 115 60.100 59.782 0.318 1
1 1344 . 15 1 1 A 115 115 GLU CB C 115 30.000 30.092 -0.092 1
1 1346 . 15 1 1 A 115 115 GLU N N 115 119.300 118.871 0.429 1
1 1347 . 15 1 1 A 116 116 ALA H H 116 7.390 8.126 -0.736 1
1 1348 . 15 1 1 A 116 116 ALA HA H 116 4.210 4.192 0.018 1
1 1352 . 15 1 1 A 116 116 ALA C C 116 179.700 179.593 0.107 1
1 1353 . 15 1 1 A 116 116 ALA CA C 116 54.600 54.931 -0.331 1
1 1354 . 15 1 1 A 116 116 ALA CB C 116 18.200 18.189 0.011 1
1 1355 . 15 1 1 A 116 116 ALA N N 116 118.200 122.430 -4.230 1
1 1356 . 15 1 1 A 117 117 TYR H H 117 7.780 7.978 -0.198 1
1 1357 . 15 1 1 A 117 117 TYR HA H 117 3.890 4.230 -0.340 1
1 1364 . 15 1 1 A 117 117 TYR C C 117 177.300 177.804 -0.504 1
1 1365 . 15 1 1 A 117 117 TYR CA C 117 61.100 61.478 -0.378 1
1 1366 . 15 1 1 A 117 117 TYR CB C 117 39.200 38.536 0.664 1
1 1371 . 15 1 1 A 117 117 TYR N N 117 120.200 120.003 0.197 1
1 1372 . 15 1 1 A 118 118 PHE H H 118 7.960 8.064 -0.104 1
1 1379 . 15 1 1 A 118 118 PHE C C 118 174.900 174.895 0.005 1
1 1380 . 15 1 1 A 118 118 PHE CA C 118 57.850 57.673 0.177 1
1 1381 . 15 1 1 A 118 118 PHE CB C 118 39.100 39.085 0.015 1
1 1386 . 15 1 1 A 118 118 PHE N N 118 113.100 119.884 -6.784 1
1 1387 . 15 1 1 A 119 119 LYS H H 119 7.670 7.289 0.381 1
1 1388 . 15 1 1 A 119 119 LYS HA H 119 4.210 4.316 -0.106 1
1 1397 . 15 1 1 A 119 119 LYS CA C 119 57.300 56.066 1.234 1
1 1398 . 15 1 1 A 119 119 LYS CB C 119 31.200 32.867 -1.667 1
1 1402 . 15 1 1 A 119 119 LYS N N 119 120.200 117.905 2.295 1
1 1 . 16 1 1 A 2 2 PRO HA H 2 4.500 4.488 0.012 1
1 8 . 16 1 1 A 2 2 PRO C C 2 177.500 175.648 1.852 1
1 9 . 16 1 1 A 2 2 PRO CA C 2 63.500 62.650 0.850 1
1 10 . 16 1 1 A 2 2 PRO CB C 2 32.200 32.820 -0.620 1
1 13 . 16 1 1 A 3 3 GLY H H 3 8.113 8.513 -0.400 1
1 14 . 16 1 1 A 3 3 GLY HA2 H 3 4.060 4.077 -0.017 1
1 15 . 16 1 1 A 3 3 GLY HA3 H 3 4.030 4.080 -0.050 1
1 16 . 16 1 1 A 3 3 GLY CA C 3 45.300 45.194 0.106 1
1 17 . 16 1 1 A 3 3 GLY N N 3 110.500 109.001 1.499 1
1 18 . 16 1 1 A 4 4 SER H H 4 8.280 8.852 -0.572 1
1 19 . 16 1 1 A 4 4 SER HA H 4 4.520 4.466 0.054 1
1 22 . 16 1 1 A 4 4 SER C C 4 178.100 174.973 3.127 1
1 23 . 16 1 1 A 4 4 SER CA C 4 58.600 60.252 -1.652 1
1 24 . 16 1 1 A 4 4 SER CB C 4 63.800 63.856 -0.056 1
1 25 . 16 1 1 A 4 4 SER N N 4 115.900 118.424 -2.524 1
1 26 . 16 1 1 A 5 5 MET H H 5 8.680 7.775 0.905 1
1 27 . 16 1 1 A 5 5 MET HA H 5 4.700 4.760 -0.060 1
1 32 . 16 1 1 A 5 5 MET C C 5 174.800 175.395 -0.595 1
1 33 . 16 1 1 A 5 5 MET CA C 5 54.900 54.587 0.313 1
1 34 . 16 1 1 A 5 5 MET CB C 5 32.500 33.422 -0.922 1
1 36 . 16 1 1 A 5 5 MET N N 5 121.500 120.801 0.699 1
1 37 . 16 1 1 A 6 6 SER H H 6 8.220 8.582 -0.362 1
1 38 . 16 1 1 A 6 6 SER HA H 6 4.580 5.640 -1.060 1
1 41 . 16 1 1 A 6 6 SER C C 6 174.200 172.781 1.419 1
1 42 . 16 1 1 A 6 6 SER CA C 6 59.100 57.496 1.604 1
1 43 . 16 1 1 A 6 6 SER CB C 6 63.800 66.811 -3.011 1
1 44 . 16 1 1 A 6 6 SER N N 6 117.000 115.629 1.371 1
1 45 . 16 1 1 A 7 7 VAL H H 7 8.750 8.145 0.605 1
1 46 . 16 1 1 A 7 7 VAL HA H 7 4.840 4.706 0.134 1
1 54 . 16 1 1 A 7 7 VAL C C 7 175.800 174.351 1.449 1
1 55 . 16 1 1 A 7 7 VAL CA C 7 61.800 60.357 1.443 1
1 56 . 16 1 1 A 7 7 VAL CB C 7 33.800 34.708 -0.908 1
1 59 . 16 1 1 A 7 7 VAL N N 7 124.100 121.428 2.672 1
1 60 . 16 1 1 A 8 8 THR H H 8 8.880 8.098 0.782 1
1 61 . 16 1 1 A 8 8 THR HA H 8 5.360 4.870 0.490 1
1 66 . 16 1 1 A 8 8 THR C C 8 172.500 172.665 -0.165 1
1 67 . 16 1 1 A 8 8 THR CA C 8 61.700 61.351 0.349 1
1 68 . 16 1 1 A 8 8 THR CB C 8 70.600 70.399 0.201 1
1 70 . 16 1 1 A 8 8 THR N N 8 124.500 122.849 1.651 1
1 71 . 16 1 1 A 9 9 ILE H H 9 9.170 9.287 -0.117 1
1 72 . 16 1 1 A 9 9 ILE HA H 9 5.610 5.489 0.121 1
1 82 . 16 1 1 A 9 9 ILE C C 9 172.500 172.767 -0.267 1
1 83 . 16 1 1 A 9 9 ILE CA C 9 58.300 58.468 -0.168 1
1 84 . 16 1 1 A 9 9 ILE CB C 9 42.400 41.510 0.890 1
1 88 . 16 1 1 A 9 9 ILE N N 9 123.900 128.285 -4.385 1
1 89 . 16 1 1 A 10 10 TYR H H 10 9.740 9.345 0.395 1
1 90 . 16 1 1 A 10 10 TYR HA H 10 5.410 5.651 -0.241 1
1 95 . 16 1 1 A 10 10 TYR C C 10 177.500 174.652 2.848 1
1 96 . 16 1 1 A 10 10 TYR CA C 10 56.500 56.188 0.312 1
1 97 . 16 1 1 A 10 10 TYR CB C 10 40.300 41.878 -1.578 1
1 100 . 16 1 1 A 10 10 TYR N N 10 125.300 130.390 -5.090 1
1 101 . 16 1 1 A 11 11 GLY H H 11 7.880 8.027 -0.147 1
1 102 . 16 1 1 A 11 11 GLY HA2 H 11 4.700 4.306 0.394 1
1 103 . 16 1 1 A 11 11 GLY HA3 H 11 4.700 4.333 0.367 1
1 104 . 16 1 1 A 11 11 GLY C C 11 170.000 172.359 -2.359 1
1 105 . 16 1 1 A 11 11 GLY CA C 11 46.700 46.240 0.460 1
1 106 . 16 1 1 A 11 11 GLY N N 11 108.600 111.000 -2.400 1
1 107 . 16 1 1 A 12 12 ILE H H 12 6.340 8.709 -2.369 1
1 108 . 16 1 1 A 12 12 ILE HA H 12 5.330 5.296 0.034 1
1 118 . 16 1 1 A 12 12 ILE C C 12 175.100 175.570 -0.470 1
1 119 . 16 1 1 A 12 12 ILE CA C 12 59.300 58.881 0.419 1
1 120 . 16 1 1 A 12 12 ILE CB C 12 41.000 42.361 -1.361 1
1 124 . 16 1 1 A 12 12 ILE N N 12 113.300 119.546 -6.246 1
1 125 . 16 1 1 A 13 13 LYS H H 13 9.450 8.616 0.834 1
1 126 . 16 1 1 A 13 13 LYS HA H 13 4.090 4.797 -0.707 1
1 129 . 16 1 1 A 13 13 LYS C C 13 177.800 176.816 0.984 1
1 130 . 16 1 1 A 13 13 LYS CA C 13 59.200 55.666 3.534 1
1 131 . 16 1 1 A 13 13 LYS CB C 13 33.600 32.790 0.810 1
1 133 . 16 1 1 A 13 13 LYS N N 13 120.900 121.320 -0.420 1
1 134 . 16 1 1 A 14 14 ASN H H 14 8.700 7.978 0.722 1
1 135 . 16 1 1 A 14 14 ASN HA H 14 4.690 5.017 -0.327 1
1 140 . 16 1 1 A 14 14 ASN C C 14 173.100 174.478 -1.378 1
1 141 . 16 1 1 A 14 14 ASN CA C 14 52.700 52.686 0.014 1
1 142 . 16 1 1 A 14 14 ASN CB C 14 36.300 39.824 -3.524 1
1 143 . 16 1 1 A 14 14 ASN N N 14 116.600 117.714 -1.114 1
1 145 . 16 1 1 A 15 15 CYS H H 15 7.440 7.608 -0.168 1
1 146 . 16 1 1 A 15 15 CYS HA H 15 4.510 4.784 -0.274 1
1 149 . 16 1 1 A 15 15 CYS CA C 15 59.100 56.683 2.417 1
1 150 . 16 1 1 A 15 15 CYS CB C 15 30.800 30.193 0.607 1
1 151 . 16 1 1 A 15 15 CYS N N 15 124.400 116.270 8.130 1
1 152 . 16 1 1 A 16 16 ASP HA H 16 4.460 4.759 -0.299 1
1 155 . 16 1 1 A 16 16 ASP C C 16 178.000 177.854 0.146 1
1 156 . 16 1 1 A 16 16 ASP CA C 16 57.500 54.432 3.068 1
1 157 . 16 1 1 A 16 16 ASP CB C 16 41.400 42.541 -1.141 1
1 158 . 16 1 1 A 17 17 THR H H 17 9.210 7.900 1.310 1
1 159 . 16 1 1 A 17 17 THR HA H 17 4.000 3.804 0.196 1
1 164 . 16 1 1 A 17 17 THR C C 17 176.000 176.666 -0.666 1
1 165 . 16 1 1 A 17 17 THR CA C 17 67.400 67.281 0.119 1
1 166 . 16 1 1 A 17 17 THR CB C 17 68.200 68.447 -0.247 1
1 168 . 16 1 1 A 17 17 THR N N 17 122.200 116.544 5.656 1
1 169 . 16 1 1 A 18 18 MET H H 18 8.940 8.231 0.709 1
1 170 . 16 1 1 A 18 18 MET HA H 18 3.990 3.943 0.047 1
1 176 . 16 1 1 A 18 18 MET C C 18 178.300 178.544 -0.244 1
1 177 . 16 1 1 A 18 18 MET CA C 18 56.000 59.356 -3.356 1
1 178 . 16 1 1 A 18 18 MET CB C 18 31.400 32.888 -1.488 1
1 181 . 16 1 1 A 18 18 MET N N 18 125.300 118.048 7.252 1
1 182 . 16 1 1 A 19 19 LYS H H 19 8.080 8.069 0.011 1
1 183 . 16 1 1 A 19 19 LYS HA H 19 3.800 3.869 -0.069 1
1 186 . 16 1 1 A 19 19 LYS CA C 19 60.000 59.609 0.391 1
1 187 . 16 1 1 A 19 19 LYS CB C 19 32.500 32.533 -0.033 1
1 191 . 16 1 1 A 19 19 LYS N N 19 117.900 120.603 -2.703 1
1 192 . 16 1 1 A 20 20 LYS H H 20 7.510 7.940 -0.430 1
1 193 . 16 1 1 A 20 20 LYS HA H 20 3.790 4.090 -0.300 1
1 198 . 16 1 1 A 20 20 LYS C C 20 178.500 179.114 -0.614 1
1 199 . 16 1 1 A 20 20 LYS CA C 20 59.500 59.709 -0.209 1
1 200 . 16 1 1 A 20 20 LYS CB C 20 32.800 32.451 0.349 1
1 204 . 16 1 1 A 20 20 LYS N N 20 117.500 118.897 -1.397 1
1 205 . 16 1 1 A 21 21 ALA H H 21 7.730 8.266 -0.536 1
1 206 . 16 1 1 A 21 21 ALA HA H 21 2.540 4.097 -1.557 1
1 210 . 16 1 1 A 21 21 ALA C C 21 178.700 179.898 -1.198 1
1 211 . 16 1 1 A 21 21 ALA CA C 21 54.400 55.373 -0.973 1
1 212 . 16 1 1 A 21 21 ALA CB C 21 19.000 18.254 0.746 1
1 213 . 16 1 1 A 21 21 ALA N N 21 123.600 122.166 1.434 1
1 214 . 16 1 1 A 22 22 ARG H H 22 8.110 8.463 -0.353 1
1 215 . 16 1 1 A 22 22 ARG HA H 22 3.490 3.986 -0.496 1
1 222 . 16 1 1 A 22 22 ARG C C 22 178.200 178.779 -0.579 1
1 223 . 16 1 1 A 22 22 ARG CA C 22 60.500 59.356 1.144 1
1 224 . 16 1 1 A 22 22 ARG CB C 22 30.700 29.855 0.845 1
1 227 . 16 1 1 A 22 22 ARG N N 22 116.100 117.782 -1.682 1
1 228 . 16 1 1 A 23 23 ILE H H 23 7.860 8.071 -0.211 1
1 229 . 16 1 1 A 23 23 ILE HA H 23 3.710 3.725 -0.015 1
1 239 . 16 1 1 A 23 23 ILE C C 23 177.200 178.623 -1.423 1
1 240 . 16 1 1 A 23 23 ILE CA C 23 65.000 64.878 0.122 1
1 241 . 16 1 1 A 23 23 ILE CB C 23 38.000 37.405 0.595 1
1 245 . 16 1 1 A 23 23 ILE N N 23 119.400 119.407 -0.007 1
1 246 . 16 1 1 A 24 24 TRP H H 24 7.880 8.123 -0.243 1
1 247 . 16 1 1 A 24 24 TRP HA H 24 4.270 4.429 -0.159 1
1 256 . 16 1 1 A 24 24 TRP C C 24 176.100 178.221 -2.121 1
1 257 . 16 1 1 A 24 24 TRP CA C 24 63.100 61.174 1.926 1
1 258 . 16 1 1 A 24 24 TRP CB C 24 30.200 29.945 0.255 1
1 264 . 16 1 1 A 24 24 TRP N N 24 121.000 122.434 -1.434 1
1 266 . 16 1 1 A 25 25 LEU H H 25 8.690 8.923 -0.233 1
1 267 . 16 1 1 A 25 25 LEU HA H 25 4.000 4.080 -0.080 1
1 277 . 16 1 1 A 25 25 LEU C C 25 178.600 179.373 -0.773 1
1 278 . 16 1 1 A 25 25 LEU CA C 25 59.700 58.066 1.634 1
1 279 . 16 1 1 A 25 25 LEU CB C 25 41.200 41.161 0.039 1
1 283 . 16 1 1 A 25 25 LEU N N 25 121.800 119.842 1.958 1
1 284 . 16 1 1 A 26 26 GLU H H 26 8.580 8.339 0.241 1
1 285 . 16 1 1 A 26 26 GLU HA H 26 4.200 3.958 0.242 1
1 290 . 16 1 1 A 26 26 GLU C C 26 181.200 178.782 2.418 1
1 291 . 16 1 1 A 26 26 GLU CA C 26 59.500 59.896 -0.396 1
1 292 . 16 1 1 A 26 26 GLU CB C 26 28.800 29.249 -0.449 1
1 294 . 16 1 1 A 26 26 GLU N N 26 120.600 117.598 3.002 1
1 295 . 16 1 1 A 27 27 ASP H H 27 9.360 8.325 1.035 1
1 296 . 16 1 1 A 27 27 ASP HA H 27 4.270 4.227 0.043 1
1 299 . 16 1 1 A 27 27 ASP C C 27 177.400 178.466 -1.066 1
1 300 . 16 1 1 A 27 27 ASP CA C 27 56.400 56.957 -0.557 1
1 301 . 16 1 1 A 27 27 ASP CB C 27 40.000 41.805 -1.805 1
1 302 . 16 1 1 A 27 27 ASP N N 27 121.800 120.357 1.443 1
1 303 . 16 1 1 A 28 28 HIS H H 28 7.340 7.924 -0.584 1
1 304 . 16 1 1 A 28 28 HIS HA H 28 4.250 4.315 -0.065 1
1 309 . 16 1 1 A 28 28 HIS C C 28 173.600 175.430 -1.830 1
1 310 . 16 1 1 A 28 28 HIS CA C 28 56.700 58.221 -1.521 1
1 311 . 16 1 1 A 28 28 HIS CB C 28 27.500 30.338 -2.838 1
1 314 . 16 1 1 A 28 28 HIS N N 28 113.400 119.066 -5.666 1
1 315 . 16 1 1 A 29 29 GLY H H 29 7.790 8.331 -0.541 1
1 316 . 16 1 1 A 29 29 GLY HA2 H 29 3.870 3.868 0.002 1
1 317 . 16 1 1 A 29 29 GLY HA3 H 29 3.870 3.873 -0.003 1
1 318 . 16 1 1 A 29 29 GLY C C 29 174.200 174.548 -0.348 1
1 319 . 16 1 1 A 29 29 GLY CA C 29 46.900 46.442 0.458 1
1 320 . 16 1 1 A 29 29 GLY N N 29 109.400 106.688 2.712 1
1 321 . 16 1 1 A 30 30 ILE H H 30 8.120 8.102 0.018 1
1 322 . 16 1 1 A 30 30 ILE HA H 30 4.040 4.617 -0.577 1
1 332 . 16 1 1 A 30 30 ILE C C 30 175.500 175.033 0.467 1
1 333 . 16 1 1 A 30 30 ILE CA C 30 60.000 60.229 -0.229 1
1 334 . 16 1 1 A 30 30 ILE CB C 30 38.100 39.812 -1.712 1
1 338 . 16 1 1 A 30 30 ILE N N 30 121.800 120.063 1.737 1
1 339 . 16 1 1 A 31 31 ASP H H 31 8.430 8.897 -0.467 1
1 340 . 16 1 1 A 31 31 ASP HA H 31 4.650 5.393 -0.743 1
1 343 . 16 1 1 A 31 31 ASP C C 31 175.800 174.766 1.034 1
1 344 . 16 1 1 A 31 31 ASP CA C 31 54.600 52.911 1.689 1
1 345 . 16 1 1 A 31 31 ASP CB C 31 41.600 41.697 -0.097 1
1 346 . 16 1 1 A 31 31 ASP N N 31 128.500 125.329 3.171 1
1 347 . 16 1 1 A 32 32 TYR H H 32 7.920 9.114 -1.194 1
1 348 . 16 1 1 A 32 32 TYR HA H 32 5.500 5.525 -0.025 1
1 355 . 16 1 1 A 32 32 TYR C C 32 173.800 175.118 -1.318 1
1 356 . 16 1 1 A 32 32 TYR CA C 32 56.100 55.678 0.422 1
1 357 . 16 1 1 A 32 32 TYR CB C 32 41.700 41.368 0.332 1
1 362 . 16 1 1 A 32 32 TYR N N 32 117.500 124.105 -6.605 1
1 363 . 16 1 1 A 33 33 THR H H 33 8.900 8.821 0.079 1
1 364 . 16 1 1 A 33 33 THR HA H 33 4.470 4.698 -0.228 1
1 369 . 16 1 1 A 33 33 THR C C 33 172.900 173.787 -0.887 1
1 370 . 16 1 1 A 33 33 THR CA C 33 61.800 62.272 -0.472 1
1 371 . 16 1 1 A 33 33 THR CB C 33 70.800 69.286 1.514 1
1 373 . 16 1 1 A 33 33 THR N N 33 117.100 119.385 -2.285 1
1 374 . 16 1 1 A 34 34 PHE H H 34 9.280 9.099 0.181 1
1 375 . 16 1 1 A 34 34 PHE HA H 34 5.520 4.729 0.791 1
1 383 . 16 1 1 A 34 34 PHE CA C 34 53.900 57.538 -3.638 1
1 384 . 16 1 1 A 34 34 PHE CB C 34 39.900 39.254 0.646 1
1 390 . 16 1 1 A 34 34 PHE N N 34 128.200 128.035 0.165 1
1 391 . 16 1 1 A 35 35 HIS H H 35 9.210 8.940 0.270 1
1 392 . 16 1 1 A 35 35 HIS HA H 35 4.240 4.669 -0.429 1
1 397 . 16 1 1 A 35 35 HIS CA C 35 54.900 53.968 0.932 1
1 398 . 16 1 1 A 35 35 HIS CB C 35 30.700 31.587 -0.887 1
1 401 . 16 1 1 A 35 35 HIS N N 35 133.900 125.511 8.389 1
1 402 . 16 1 1 A 36 36 ASP H H 36 7.930 8.163 -0.233 1
1 403 . 16 1 1 A 36 36 ASP HA H 36 4.470 4.770 -0.300 1
1 406 . 16 1 1 A 36 36 ASP C C 36 178.500 176.492 2.008 1
1 407 . 16 1 1 A 36 36 ASP CA C 36 50.900 53.584 -2.684 1
1 408 . 16 1 1 A 36 36 ASP CB C 36 42.200 42.984 -0.784 1
1 409 . 16 1 1 A 36 36 ASP N N 36 127.000 123.745 3.255 1
1 410 . 16 1 1 A 37 37 TYR H H 37 9.290 8.943 0.347 1
1 417 . 16 1 1 A 37 37 TYR C C 37 178.700 177.534 1.166 1
1 418 . 16 1 1 A 37 37 TYR CA C 37 58.700 60.900 -2.200 1
1 419 . 16 1 1 A 37 37 TYR CB C 37 39.100 37.915 1.185 1
1 424 . 16 1 1 A 37 37 TYR N N 37 126.400 124.490 1.910 1
1 425 . 16 1 1 A 38 38 LYS H H 38 8.880 7.660 1.220 1
1 426 . 16 1 1 A 38 38 LYS HA H 38 4.300 3.653 0.647 1
1 429 . 16 1 1 A 38 38 LYS CA C 38 57.700 59.003 -1.303 1
1 430 . 16 1 1 A 38 38 LYS CB C 38 31.600 31.919 -0.319 1
1 434 . 16 1 1 A 38 38 LYS N N 38 115.800 122.229 -6.429 1
1 435 . 16 1 1 A 39 39 LYS H H 39 7.330 7.777 -0.447 1
1 436 . 16 1 1 A 39 39 LYS HA H 39 4.420 3.812 0.608 1
1 443 . 16 1 1 A 39 39 LYS CA C 39 57.500 59.622 -2.122 1
1 444 . 16 1 1 A 39 39 LYS CB C 39 34.600 32.251 2.349 1
1 448 . 16 1 1 A 39 39 LYS N N 39 118.800 118.841 -0.041 1
1 449 . 16 1 1 A 40 40 GLU H H 40 8.570 8.222 0.348 1
1 450 . 16 1 1 A 40 40 GLU HA H 40 4.280 4.053 0.227 1
1 455 . 16 1 1 A 40 40 GLU CA C 40 57.900 57.034 0.866 1
1 456 . 16 1 1 A 40 40 GLU CB C 40 29.300 30.406 -1.106 1
1 458 . 16 1 1 A 40 40 GLU N N 40 117.600 116.507 1.093 1
1 459 . 16 1 1 A 41 41 GLY H H 41 7.470 7.623 -0.153 1
1 460 . 16 1 1 A 41 41 GLY HA2 H 41 4.310 4.027 0.283 1
1 461 . 16 1 1 A 41 41 GLY HA3 H 41 4.170 4.035 0.135 1
1 462 . 16 1 1 A 41 41 GLY CA C 41 44.900 44.133 0.767 1
1 463 . 16 1 1 A 41 41 GLY N N 41 106.300 105.972 0.328 1
1 464 . 16 1 1 A 42 42 LEU H H 42 8.290 8.383 -0.093 1
1 465 . 16 1 1 A 42 42 LEU HA H 42 4.950 5.136 -0.186 1
1 475 . 16 1 1 A 42 42 LEU C C 42 173.800 173.932 -0.132 1
1 476 . 16 1 1 A 42 42 LEU CA C 42 54.500 54.205 0.295 1
1 477 . 16 1 1 A 42 42 LEU CB C 42 43.400 46.164 -2.764 1
1 481 . 16 1 1 A 42 42 LEU N N 42 121.000 120.327 0.673 1
1 482 . 16 1 1 A 43 43 ASP H H 43 8.520 8.736 -0.216 1
1 483 . 16 1 1 A 43 43 ASP HA H 43 4.800 5.042 -0.242 1
1 486 . 16 1 1 A 43 43 ASP C C 43 175.400 176.674 -1.274 1
1 487 . 16 1 1 A 43 43 ASP CA C 43 51.600 52.394 -0.794 1
1 488 . 16 1 1 A 43 43 ASP CB C 43 42.200 44.085 -1.885 1
1 489 . 16 1 1 A 43 43 ASP N N 43 124.800 125.538 -0.738 1
1 490 . 16 1 1 A 44 44 ALA H H 44 8.640 8.829 -0.189 1
1 491 . 16 1 1 A 44 44 ALA HA H 44 3.780 4.030 -0.250 1
1 495 . 16 1 1 A 44 44 ALA C C 44 178.100 179.631 -1.531 1
1 496 . 16 1 1 A 44 44 ALA CA C 44 55.400 55.554 -0.154 1
1 497 . 16 1 1 A 44 44 ALA CB C 44 18.100 18.300 -0.200 1
1 498 . 16 1 1 A 44 44 ALA N N 44 122.400 123.681 -1.281 1
1 499 . 16 1 1 A 45 45 GLU H H 45 8.240 8.166 0.074 1
1 500 . 16 1 1 A 45 45 GLU HA H 45 3.920 4.010 -0.090 1
1 505 . 16 1 1 A 45 45 GLU C C 45 179.300 179.117 0.183 1
1 506 . 16 1 1 A 45 45 GLU CA C 45 59.800 59.716 0.084 1
1 507 . 16 1 1 A 45 45 GLU CB C 45 29.200 29.596 -0.396 1
1 509 . 16 1 1 A 45 45 GLU N N 45 115.600 119.066 -3.466 1
1 510 . 16 1 1 A 46 46 THR H H 46 7.910 8.016 -0.106 1
1 511 . 16 1 1 A 46 46 THR HA H 46 3.500 3.905 -0.405 1
1 516 . 16 1 1 A 46 46 THR C C 46 174.300 176.288 -1.988 1
1 517 . 16 1 1 A 46 46 THR CA C 46 66.600 67.392 -0.792 1
1 518 . 16 1 1 A 46 46 THR CB C 46 67.700 68.443 -0.743 1
1 520 . 16 1 1 A 46 46 THR N N 46 117.700 116.453 1.247 1
1 521 . 16 1 1 A 47 47 LEU H H 47 7.710 8.348 -0.638 1
1 522 . 16 1 1 A 47 47 LEU HA H 47 3.510 4.133 -0.623 1
1 532 . 16 1 1 A 47 47 LEU C C 47 178.000 178.248 -0.248 1
1 533 . 16 1 1 A 47 47 LEU CA C 47 57.900 58.473 -0.573 1
1 534 . 16 1 1 A 47 47 LEU CB C 47 41.500 41.359 0.141 1
1 538 . 16 1 1 A 47 47 LEU N N 47 120.400 121.340 -0.940 1
1 539 . 16 1 1 A 48 48 ASP H H 48 9.000 8.685 0.315 1
1 540 . 16 1 1 A 48 48 ASP HA H 48 4.490 4.261 0.229 1
1 543 . 16 1 1 A 48 48 ASP C C 48 179.100 178.750 0.350 1
1 544 . 16 1 1 A 48 48 ASP CA C 48 57.500 57.848 -0.348 1
1 545 . 16 1 1 A 48 48 ASP CB C 48 39.100 41.920 -2.820 1
1 546 . 16 1 1 A 48 48 ASP N N 48 116.800 118.515 -1.715 1
1 547 . 16 1 1 A 49 49 ARG H H 49 7.560 8.107 -0.547 1
1 548 . 16 1 1 A 49 49 ARG HA H 49 4.110 4.030 0.080 1
1 555 . 16 1 1 A 49 49 ARG C C 49 180.100 179.536 0.564 1
1 556 . 16 1 1 A 49 49 ARG CA C 49 60.300 59.114 1.186 1
1 557 . 16 1 1 A 49 49 ARG CB C 49 29.600 29.622 -0.022 1
1 560 . 16 1 1 A 49 49 ARG N N 49 122.100 118.226 3.874 1
1 561 . 16 1 1 A 50 50 PHE H H 50 8.300 8.176 0.124 1
1 562 . 16 1 1 A 50 50 PHE HA H 50 4.550 4.320 0.230 1
1 569 . 16 1 1 A 50 50 PHE C C 50 178.400 178.211 0.189 1
1 570 . 16 1 1 A 50 50 PHE CA C 50 57.500 60.886 -3.386 1
1 571 . 16 1 1 A 50 50 PHE CB C 50 36.900 38.919 -2.019 1
1 576 . 16 1 1 A 50 50 PHE N N 50 122.100 119.047 3.053 1
1 577 . 16 1 1 A 51 51 LEU H H 51 8.460 8.483 -0.023 1
1 587 . 16 1 1 A 51 51 LEU CA C 51 55.920 58.181 -2.261 1
1 588 . 16 1 1 A 51 51 LEU CB C 51 42.400 41.717 0.683 1
1 592 . 16 1 1 A 51 51 LEU N N 51 117.000 120.575 -3.575 1
1 593 . 16 1 1 A 52 52 LYS H H 52 7.660 8.076 -0.416 1
1 594 . 16 1 1 A 52 52 LYS HA H 52 4.180 4.017 0.163 1
1 603 . 16 1 1 A 52 52 LYS C C 52 178.300 179.225 -0.925 1
1 604 . 16 1 1 A 52 52 LYS CA C 52 58.700 59.339 -0.639 1
1 605 . 16 1 1 A 52 52 LYS CB C 52 32.700 32.332 0.368 1
1 609 . 16 1 1 A 52 52 LYS N N 52 119.100 119.491 -0.391 1
1 610 . 16 1 1 A 53 53 THR H H 53 7.430 7.646 -0.216 1
1 611 . 16 1 1 A 53 53 THR HA H 53 4.570 4.178 0.392 1
1 616 . 16 1 1 A 53 53 THR C C 53 173.800 174.767 -0.967 1
1 617 . 16 1 1 A 53 53 THR CA C 53 62.600 65.685 -3.085 1
1 618 . 16 1 1 A 53 53 THR CB C 53 70.800 69.295 1.505 1
1 620 . 16 1 1 A 53 53 THR N N 53 107.400 112.122 -4.722 1
1 621 . 16 1 1 A 54 54 VAL H H 54 8.500 7.936 0.564 1
1 622 . 16 1 1 A 54 54 VAL HA H 54 4.540 4.661 -0.121 1
1 630 . 16 1 1 A 54 54 VAL C C 54 179.400 173.495 5.905 1
1 631 . 16 1 1 A 54 54 VAL CA C 54 59.100 59.026 0.074 1
1 632 . 16 1 1 A 54 54 VAL CB C 54 33.500 35.536 -2.036 1
1 635 . 16 1 1 A 54 54 VAL N N 54 125.200 119.731 5.469 1
1 636 . 16 1 1 A 55 55 PRO HA H 55 4.590 4.585 0.005 1
1 643 . 16 1 1 A 55 55 PRO C C 55 179.400 177.767 1.633 1
1 644 . 16 1 1 A 55 55 PRO CA C 55 62.100 62.652 -0.552 1
1 645 . 16 1 1 A 55 55 PRO CB C 55 32.900 32.526 0.374 1
1 648 . 16 1 1 A 56 56 TRP H H 56 8.690 8.802 -0.112 1
1 649 . 16 1 1 A 56 56 TRP HA H 56 3.990 4.305 -0.315 1
1 657 . 16 1 1 A 56 56 TRP C C 56 177.500 177.944 -0.444 1
1 658 . 16 1 1 A 56 56 TRP CA C 56 61.000 60.294 0.706 1
1 659 . 16 1 1 A 56 56 TRP CB C 56 27.400 28.650 -1.250 1
1 664 . 16 1 1 A 56 56 TRP N N 56 122.500 125.226 -2.726 1
1 666 . 16 1 1 A 57 57 GLU H H 57 8.410 7.917 0.493 1
1 667 . 16 1 1 A 57 57 GLU HA H 57 3.270 3.845 -0.575 1
1 672 . 16 1 1 A 57 57 GLU C C 57 178.000 177.003 0.997 1
1 673 . 16 1 1 A 57 57 GLU CA C 57 60.200 58.739 1.461 1
1 674 . 16 1 1 A 57 57 GLU CB C 57 28.200 28.370 -0.170 1
1 676 . 16 1 1 A 57 57 GLU N N 57 120.600 118.992 1.608 1
1 677 . 16 1 1 A 58 58 GLN H H 58 7.600 7.791 -0.191 1
1 678 . 16 1 1 A 58 58 GLN HA H 58 4.170 4.578 -0.408 1
1 683 . 16 1 1 A 58 58 GLN C C 58 175.500 176.246 -0.746 1
1 684 . 16 1 1 A 58 58 GLN CA C 58 56.000 54.581 1.419 1
1 685 . 16 1 1 A 58 58 GLN CB C 58 29.600 28.834 0.766 1
1 687 . 16 1 1 A 58 58 GLN N N 58 114.700 118.191 -3.491 1
1 688 . 16 1 1 A 59 59 LEU H H 59 7.440 8.266 -0.826 1
1 689 . 16 1 1 A 59 59 LEU HA H 59 4.220 4.591 -0.371 1
1 699 . 16 1 1 A 59 59 LEU C C 59 175.100 176.121 -1.021 1
1 700 . 16 1 1 A 59 59 LEU CA C 59 55.600 55.212 0.388 1
1 701 . 16 1 1 A 59 59 LEU CB C 59 44.700 44.404 0.296 1
1 705 . 16 1 1 A 59 59 LEU N N 59 119.500 120.608 -1.108 1
1 706 . 16 1 1 A 60 60 LEU H H 60 8.120 7.076 1.044 1
1 707 . 16 1 1 A 60 60 LEU HA H 60 4.410 5.009 -0.599 1
1 717 . 16 1 1 A 60 60 LEU C C 60 176.100 176.024 0.076 1
1 718 . 16 1 1 A 60 60 LEU CA C 60 55.400 52.871 2.529 1
1 719 . 16 1 1 A 60 60 LEU CB C 60 42.900 45.355 -2.455 1
1 723 . 16 1 1 A 60 60 LEU N N 60 119.300 115.774 3.526 1
1 724 . 16 1 1 A 61 61 ASN H H 61 9.120 8.333 0.787 1
1 729 . 16 1 1 A 61 61 ASN C C 61 175.600 174.823 0.777 1
1 730 . 16 1 1 A 61 61 ASN CA C 61 51.300 53.804 -2.504 1
1 731 . 16 1 1 A 61 61 ASN CB C 61 36.800 38.918 -2.118 1
1 732 . 16 1 1 A 61 61 ASN N N 61 124.900 117.383 7.517 1
1 734 . 16 1 1 A 62 62 ARG H H 62 8.140 8.952 -0.812 1
1 735 . 16 1 1 A 62 62 ARG HA H 62 3.450 4.065 -0.615 1
1 742 . 16 1 1 A 62 62 ARG C C 62 175.200 176.917 -1.717 1
1 743 . 16 1 1 A 62 62 ARG CA C 62 57.600 56.205 1.395 1
1 744 . 16 1 1 A 62 62 ARG CB C 62 30.200 31.764 -1.564 1
1 747 . 16 1 1 A 62 62 ARG N N 62 125.500 120.956 4.544 1
1 748 . 16 1 1 A 63 63 ALA H H 63 7.610 7.553 0.057 1
1 749 . 16 1 1 A 63 63 ALA HA H 63 4.460 4.354 0.106 1
1 753 . 16 1 1 A 63 63 ALA C C 63 178.300 177.951 0.349 1
1 754 . 16 1 1 A 63 63 ALA CA C 63 51.800 51.898 -0.098 1
1 755 . 16 1 1 A 63 63 ALA CB C 63 19.300 20.242 -0.942 1
1 756 . 16 1 1 A 63 63 ALA N N 63 118.600 120.115 -1.515 1
1 757 . 16 1 1 A 64 64 GLY H H 64 7.150 8.119 -0.969 1
1 758 . 16 1 1 A 64 64 GLY HA2 H 64 4.410 3.995 0.415 1
1 759 . 16 1 1 A 64 64 GLY HA3 H 64 4.020 4.003 0.017 1
1 760 . 16 1 1 A 64 64 GLY C C 64 173.500 175.484 -1.984 1
1 761 . 16 1 1 A 64 64 GLY CA C 64 45.400 45.508 -0.108 1
1 762 . 16 1 1 A 64 64 GLY N N 64 105.700 105.934 -0.234 1
1 763 . 16 1 1 A 65 65 THR H H 65 8.340 8.878 -0.538 1
1 764 . 16 1 1 A 65 65 THR HA H 65 3.880 4.011 -0.131 1
1 769 . 16 1 1 A 65 65 THR C C 65 176.300 176.143 0.157 1
1 770 . 16 1 1 A 65 65 THR CA C 65 65.500 65.572 -0.072 1
1 771 . 16 1 1 A 65 65 THR CB C 65 69.000 68.279 0.721 1
1 773 . 16 1 1 A 65 65 THR N N 65 113.400 116.533 -3.133 1
1 774 . 16 1 1 A 66 66 THR H H 66 7.940 8.005 -0.065 1
1 775 . 16 1 1 A 66 66 THR HA H 66 3.820 3.902 -0.082 1
1 780 . 16 1 1 A 66 66 THR C C 66 176.100 176.565 -0.465 1
1 781 . 16 1 1 A 66 66 THR CA C 66 67.000 66.776 0.224 1
1 782 . 16 1 1 A 66 66 THR CB C 66 68.000 69.012 -1.012 1
1 784 . 16 1 1 A 66 66 THR N N 66 116.200 116.286 -0.086 1
1 785 . 16 1 1 A 67 67 PHE H H 67 8.720 7.787 0.933 1
1 786 . 16 1 1 A 67 67 PHE HA H 67 4.130 4.187 -0.057 1
1 793 . 16 1 1 A 67 67 PHE C C 67 176.900 177.413 -0.513 1
1 794 . 16 1 1 A 67 67 PHE CA C 67 61.500 60.855 0.645 1
1 795 . 16 1 1 A 67 67 PHE CB C 67 39.800 39.058 0.742 1
1 800 . 16 1 1 A 67 67 PHE N N 67 122.400 121.372 1.028 1
1 801 . 16 1 1 A 68 68 ARG H H 68 7.750 7.791 -0.041 1
1 802 . 16 1 1 A 68 68 ARG HA H 68 3.790 4.368 -0.578 1
1 809 . 16 1 1 A 68 68 ARG C C 68 176.800 178.838 -2.038 1
1 810 . 16 1 1 A 68 68 ARG CA C 68 59.200 58.075 1.125 1
1 811 . 16 1 1 A 68 68 ARG CB C 68 30.200 29.910 0.290 1
1 814 . 16 1 1 A 68 68 ARG N N 68 114.400 117.725 -3.325 1
1 815 . 16 1 1 A 69 69 LYS H H 69 7.360 7.590 -0.230 1
1 816 . 16 1 1 A 69 69 LYS HA H 69 4.190 4.045 0.145 1
1 819 . 16 1 1 A 69 69 LYS C C 69 177.400 175.804 1.596 1
1 820 . 16 1 1 A 69 69 LYS CA C 69 56.700 58.495 -1.795 1
1 821 . 16 1 1 A 69 69 LYS CB C 69 33.000 32.571 0.429 1
1 825 . 16 1 1 A 69 69 LYS N N 69 115.600 119.702 -4.102 1
1 826 . 16 1 1 A 70 70 LEU H H 70 7.440 7.127 0.313 1
1 827 . 16 1 1 A 70 70 LEU HA H 70 4.350 4.752 -0.402 1
1 830 . 16 1 1 A 70 70 LEU CA C 70 53.800 51.483 2.317 1
1 831 . 16 1 1 A 70 70 LEU CB C 70 41.000 44.325 -3.325 1
1 832 . 16 1 1 A 70 70 LEU N N 70 121.400 119.429 1.971 1
1 833 . 16 1 1 A 71 71 PRO HA H 71 4.460 4.540 -0.080 1
1 840 . 16 1 1 A 71 71 PRO C C 71 177.500 177.493 0.007 1
1 841 . 16 1 1 A 71 71 PRO CA C 71 62.800 62.493 0.307 1
1 842 . 16 1 1 A 71 71 PRO CB C 71 32.600 32.692 -0.092 1
1 845 . 16 1 1 A 72 72 GLU H H 72 9.010 8.672 0.338 1
1 846 . 16 1 1 A 72 72 GLU HA H 72 3.650 3.960 -0.310 1
1 851 . 16 1 1 A 72 72 GLU C C 72 177.600 178.532 -0.932 1
1 852 . 16 1 1 A 72 72 GLU CA C 72 60.500 59.916 0.584 1
1 853 . 16 1 1 A 72 72 GLU CB C 72 29.900 29.477 0.423 1
1 855 . 16 1 1 A 72 72 GLU N N 72 124.100 121.965 2.135 1
1 856 . 16 1 1 A 73 73 ASP H H 73 8.860 7.926 0.934 1
1 857 . 16 1 1 A 73 73 ASP HA H 73 4.290 4.419 -0.129 1
1 860 . 16 1 1 A 73 73 ASP C C 73 177.600 178.475 -0.875 1
1 861 . 16 1 1 A 73 73 ASP CA C 73 56.700 57.175 -0.475 1
1 862 . 16 1 1 A 73 73 ASP CB C 73 39.300 40.869 -1.569 1
1 863 . 16 1 1 A 73 73 ASP N N 73 116.200 120.287 -4.087 1
1 864 . 16 1 1 A 74 74 VAL H H 74 7.120 7.993 -0.873 1
1 865 . 16 1 1 A 74 74 VAL HA H 74 3.740 3.567 0.173 1
1 873 . 16 1 1 A 74 74 VAL C C 74 178.200 177.808 0.392 1
1 874 . 16 1 1 A 74 74 VAL CA C 74 65.000 67.049 -2.049 1
1 875 . 16 1 1 A 74 74 VAL CB C 74 32.100 31.259 0.841 1
1 878 . 16 1 1 A 74 74 VAL N N 74 120.400 120.131 0.269 1
1 879 . 16 1 1 A 75 75 ARG H H 75 7.700 8.294 -0.594 1
1 880 . 16 1 1 A 75 75 ARG HA H 75 3.790 3.898 -0.108 1
1 887 . 16 1 1 A 75 75 ARG C C 75 178.500 179.538 -1.038 1
1 888 . 16 1 1 A 75 75 ARG CA C 75 59.600 59.242 0.358 1
1 889 . 16 1 1 A 75 75 ARG CB C 75 31.100 29.752 1.348 1
1 892 . 16 1 1 A 75 75 ARG N N 75 115.900 119.725 -3.825 1
1 893 . 16 1 1 A 76 76 SER H H 76 8.260 7.925 0.335 1
1 894 . 16 1 1 A 76 76 SER HA H 76 4.380 4.301 0.079 1
1 897 . 16 1 1 A 76 76 SER C C 76 174.700 175.902 -1.202 1
1 898 . 16 1 1 A 76 76 SER CA C 76 60.500 60.943 -0.443 1
1 899 . 16 1 1 A 76 76 SER CB C 76 63.500 62.983 0.517 1
1 900 . 16 1 1 A 76 76 SER N N 76 111.800 115.366 -3.566 1
1 901 . 16 1 1 A 77 77 ASN H H 77 7.380 7.769 -0.389 1
1 902 . 16 1 1 A 77 77 ASN HA H 77 5.010 4.706 0.304 1
1 907 . 16 1 1 A 77 77 ASN C C 77 174.300 175.443 -1.143 1
1 908 . 16 1 1 A 77 77 ASN CA C 77 52.600 54.164 -1.564 1
1 909 . 16 1 1 A 77 77 ASN CB C 77 39.800 39.063 0.737 1
1 910 . 16 1 1 A 77 77 ASN N N 77 118.000 117.634 0.366 1
1 912 . 16 1 1 A 78 78 VAL H H 78 7.300 7.337 -0.037 1
1 913 . 16 1 1 A 78 78 VAL HA H 78 3.850 3.794 0.056 1
1 921 . 16 1 1 A 78 78 VAL C C 78 173.200 174.475 -1.275 1
1 922 . 16 1 1 A 78 78 VAL CA C 78 63.600 62.896 0.704 1
1 923 . 16 1 1 A 78 78 VAL CB C 78 32.100 32.252 -0.152 1
1 926 . 16 1 1 A 78 78 VAL N N 78 121.200 121.847 -0.647 1
1 927 . 16 1 1 A 79 79 ASP H H 79 7.660 8.437 -0.777 1
1 928 . 16 1 1 A 79 79 ASP HA H 79 4.380 4.827 -0.447 1
1 931 . 16 1 1 A 79 79 ASP C C 79 173.700 175.659 -1.959 1
1 932 . 16 1 1 A 79 79 ASP CA C 79 51.500 51.834 -0.334 1
1 933 . 16 1 1 A 79 79 ASP CB C 79 41.800 43.829 -2.029 1
1 934 . 16 1 1 A 79 79 ASP N N 79 127.000 128.235 -1.235 1
1 935 . 16 1 1 A 80 80 ALA H H 80 8.110 8.568 -0.458 1
1 936 . 16 1 1 A 80 80 ALA HA H 80 2.420 3.797 -1.377 1
1 940 . 16 1 1 A 80 80 ALA C C 80 178.700 179.873 -1.173 1
1 941 . 16 1 1 A 80 80 ALA CA C 80 55.600 55.330 0.270 1
1 942 . 16 1 1 A 80 80 ALA CB C 80 18.600 18.488 0.112 1
1 943 . 16 1 1 A 80 80 ALA N N 80 119.900 121.672 -1.772 1
1 944 . 16 1 1 A 81 81 ALA H H 81 7.760 8.169 -0.409 1
1 945 . 16 1 1 A 81 81 ALA HA H 81 4.030 3.948 0.082 1
1 949 . 16 1 1 A 81 81 ALA C C 81 180.700 179.612 1.088 1
1 950 . 16 1 1 A 81 81 ALA CA C 81 54.800 55.264 -0.464 1
1 951 . 16 1 1 A 81 81 ALA CB C 81 18.300 18.590 -0.290 1
1 952 . 16 1 1 A 81 81 ALA N N 81 118.500 120.481 -1.981 1
1 953 . 16 1 1 A 82 82 SER H H 82 8.480 8.079 0.401 1
1 954 . 16 1 1 A 82 82 SER HA H 82 4.240 4.018 0.222 1
1 957 . 16 1 1 A 82 82 SER C C 82 177.200 176.177 1.023 1
1 958 . 16 1 1 A 82 82 SER CA C 82 60.300 62.004 -1.704 1
1 959 . 16 1 1 A 82 82 SER CB C 82 62.700 62.767 -0.067 1
1 960 . 16 1 1 A 82 82 SER N N 82 115.300 113.445 1.855 1
1 961 . 16 1 1 A 83 83 ALA H H 83 8.970 8.249 0.721 1
1 962 . 16 1 1 A 83 83 ALA HA H 83 3.820 3.910 -0.090 1
1 966 . 16 1 1 A 83 83 ALA C C 83 178.600 180.154 -1.554 1
1 967 . 16 1 1 A 83 83 ALA CA C 83 55.600 55.208 0.392 1
1 968 . 16 1 1 A 83 83 ALA CB C 83 19.400 18.083 1.317 1
1 969 . 16 1 1 A 83 83 ALA N N 83 124.700 123.096 1.604 1
1 970 . 16 1 1 A 84 84 ARG H H 84 7.250 8.099 -0.849 1
1 971 . 16 1 1 A 84 84 ARG HA H 84 3.740 4.093 -0.353 1
1 978 . 16 1 1 A 84 84 ARG C C 84 176.600 179.131 -2.531 1
1 979 . 16 1 1 A 84 84 ARG CA C 84 60.100 59.909 0.191 1
1 980 . 16 1 1 A 84 84 ARG CB C 84 29.900 30.150 -0.250 1
1 983 . 16 1 1 A 84 84 ARG N N 84 116.500 117.697 -1.197 1
1 984 . 16 1 1 A 85 85 GLU H H 85 7.240 8.131 -0.891 1
1 985 . 16 1 1 A 85 85 GLU HA H 85 3.890 4.015 -0.125 1
1 990 . 16 1 1 A 85 85 GLU C C 85 179.800 179.314 0.486 1
1 991 . 16 1 1 A 85 85 GLU CA C 85 59.200 58.813 0.387 1
1 992 . 16 1 1 A 85 85 GLU CB C 85 29.300 29.627 -0.327 1
1 994 . 16 1 1 A 85 85 GLU N N 85 115.600 120.069 -4.469 1
1 995 . 16 1 1 A 86 86 LEU H H 86 8.620 8.584 0.036 1
1 996 . 16 1 1 A 86 86 LEU HA H 86 4.030 3.958 0.072 1
1 1006 . 16 1 1 A 86 86 LEU C C 86 178.600 178.900 -0.300 1
1 1007 . 16 1 1 A 86 86 LEU CA C 86 58.100 57.850 0.250 1
1 1008 . 16 1 1 A 86 86 LEU CB C 86 42.200 41.617 0.583 1
1 1012 . 16 1 1 A 86 86 LEU N N 86 120.800 120.762 0.038 1
1 1013 . 16 1 1 A 87 87 MET H H 87 7.840 8.187 -0.347 1
1 1014 . 16 1 1 A 87 87 MET HA H 87 3.680 4.140 -0.460 1
1 1022 . 16 1 1 A 87 87 MET C C 87 175.600 178.456 -2.856 1
1 1023 . 16 1 1 A 87 87 MET CA C 87 60.000 58.897 1.103 1
1 1024 . 16 1 1 A 87 87 MET CB C 87 34.300 32.196 2.104 1
1 1027 . 16 1 1 A 87 87 MET N N 87 116.700 116.344 0.356 1
1 1028 . 16 1 1 A 88 88 LEU H H 88 7.490 8.184 -0.694 1
1 1029 . 16 1 1 A 88 88 LEU HA H 88 3.890 4.092 -0.202 1
1 1039 . 16 1 1 A 88 88 LEU C C 88 179.200 178.369 0.831 1
1 1040 . 16 1 1 A 88 88 LEU CA C 88 57.000 58.292 -1.292 1
1 1041 . 16 1 1 A 88 88 LEU CB C 88 41.800 41.659 0.141 1
1 1045 . 16 1 1 A 88 88 LEU N N 88 113.400 121.940 -8.540 1
1 1046 . 16 1 1 A 89 89 ALA H H 89 7.690 7.841 -0.151 1
1 1047 . 16 1 1 A 89 89 ALA HA H 89 4.210 4.276 -0.066 1
1 1051 . 16 1 1 A 89 89 ALA C C 89 179.100 177.932 1.168 1
1 1052 . 16 1 1 A 89 89 ALA CA C 89 54.100 54.631 -0.531 1
1 1053 . 16 1 1 A 89 89 ALA CB C 89 19.200 19.143 0.057 1
1 1054 . 16 1 1 A 89 89 ALA N N 89 119.100 120.131 -1.031 1
1 1055 . 16 1 1 A 90 90 GLN H H 90 8.100 8.176 -0.076 1
1 1062 . 16 1 1 A 90 90 GLN CA C 90 53.400 53.130 0.270 1
1 1063 . 16 1 1 A 90 90 GLN CB C 90 30.900 28.745 2.155 1
1 1064 . 16 1 1 A 90 90 GLN N N 90 115.100 115.044 0.056 1
1 1066 . 16 1 1 A 91 91 PRO HA H 91 4.530 4.425 0.105 1
1 1073 . 16 1 1 A 91 91 PRO C C 91 178.300 177.472 0.828 1
1 1074 . 16 1 1 A 91 91 PRO CA C 91 64.300 64.106 0.194 1
1 1075 . 16 1 1 A 91 91 PRO CB C 91 31.800 31.955 -0.155 1
1 1078 . 16 1 1 A 92 92 SER H H 92 8.510 8.205 0.305 1
1 1079 . 16 1 1 A 92 92 SER HA H 92 4.310 4.056 0.254 1
1 1082 . 16 1 1 A 92 92 SER C C 92 174.200 175.403 -1.203 1
1 1083 . 16 1 1 A 92 92 SER CA C 92 62.000 59.733 2.267 1
1 1084 . 16 1 1 A 92 92 SER CB C 92 62.500 61.973 0.527 1
1 1085 . 16 1 1 A 92 92 SER N N 92 115.000 112.735 2.265 1
1 1086 . 16 1 1 A 93 93 MET H H 93 8.790 7.534 1.256 1
1 1087 . 16 1 1 A 93 93 MET HA H 93 4.560 4.469 0.091 1
1 1092 . 16 1 1 A 93 93 MET C C 93 174.900 176.221 -1.321 1
1 1093 . 16 1 1 A 93 93 MET CA C 93 56.900 56.466 0.434 1
1 1094 . 16 1 1 A 93 93 MET CB C 93 35.000 32.640 2.360 1
1 1096 . 16 1 1 A 93 93 MET N N 93 118.400 118.360 0.040 1
1 1097 . 16 1 1 A 94 94 VAL H H 94 7.540 7.497 0.043 1
1 1098 . 16 1 1 A 94 94 VAL HA H 94 4.080 4.246 -0.166 1
1 1106 . 16 1 1 A 94 94 VAL C C 94 178.000 175.814 2.186 1
1 1107 . 16 1 1 A 94 94 VAL CA C 94 63.100 61.922 1.178 1
1 1108 . 16 1 1 A 94 94 VAL CB C 94 31.700 33.091 -1.391 1
1 1111 . 16 1 1 A 94 94 VAL N N 94 121.000 117.883 3.117 1
1 1112 . 16 1 1 A 95 95 LYS H H 95 9.550 8.416 1.134 1
1 1113 . 16 1 1 A 95 95 LYS HA H 95 3.940 4.155 -0.215 1
1 1116 . 16 1 1 A 95 95 LYS CA C 95 58.800 56.243 2.557 1
1 1117 . 16 1 1 A 95 95 LYS CB C 95 33.500 32.977 0.523 1
1 1121 . 16 1 1 A 95 95 LYS N N 95 131.200 120.387 10.813 1
1 1122 . 16 1 1 A 96 96 ARG H H 96 8.260 8.695 -0.435 1
1 1125 . 16 1 1 A 96 96 ARG CA C 96 52.700 54.711 -2.011 1
1 1126 . 16 1 1 A 96 96 ARG CB C 96 34.400 32.251 2.149 1
1 1127 . 16 1 1 A 96 96 ARG N N 96 117.100 117.603 -0.503 1
1 1134 . 16 1 1 A 97 97 PRO C C 97 176.600 175.981 0.619 1
1 1135 . 16 1 1 A 97 97 PRO CA C 97 62.400 62.423 -0.023 1
1 1136 . 16 1 1 A 97 97 PRO CB C 97 34.700 32.504 2.196 1
1 1139 . 16 1 1 A 98 98 VAL H H 98 7.540 8.427 -0.887 1
1 1140 . 16 1 1 A 98 98 VAL HA H 98 4.460 4.345 0.115 1
1 1148 . 16 1 1 A 98 98 VAL C C 98 173.500 175.175 -1.675 1
1 1149 . 16 1 1 A 98 98 VAL CA C 98 64.000 61.688 2.312 1
1 1150 . 16 1 1 A 98 98 VAL CB C 98 33.600 32.293 1.307 1
1 1153 . 16 1 1 A 98 98 VAL N N 98 117.800 123.065 -5.265 1
1 1154 . 16 1 1 A 99 99 LEU H H 99 9.030 9.210 -0.180 1
1 1155 . 16 1 1 A 99 99 LEU HA H 99 5.410 5.142 0.268 1
1 1165 . 16 1 1 A 99 99 LEU C C 99 173.800 175.081 -1.281 1
1 1166 . 16 1 1 A 99 99 LEU CA C 99 54.300 52.592 1.708 1
1 1167 . 16 1 1 A 99 99 LEU CB C 99 45.800 43.393 2.407 1
1 1171 . 16 1 1 A 99 99 LEU N N 99 131.400 127.649 3.751 1
1 1172 . 16 1 1 A 100 100 GLU H H 100 9.390 9.134 0.256 1
1 1173 . 16 1 1 A 100 100 GLU HA H 100 5.050 5.358 -0.308 1
1 1178 . 16 1 1 A 100 100 GLU C C 100 174.200 175.076 -0.876 1
1 1179 . 16 1 1 A 100 100 GLU CA C 100 55.300 54.896 0.404 1
1 1180 . 16 1 1 A 100 100 GLU CB C 100 35.600 32.749 2.851 1
1 1182 . 16 1 1 A 100 100 GLU N N 100 125.800 126.422 -0.622 1
1 1183 . 16 1 1 A 101 101 ARG H H 101 7.610 8.812 -1.202 1
1 1184 . 16 1 1 A 101 101 ARG C C 101 175.900 175.243 0.657 1
1 1185 . 16 1 1 A 101 101 ARG CA C 101 56.700 54.731 1.969 1
1 1186 . 16 1 1 A 101 101 ARG CB C 101 32.500 32.577 -0.077 1
1 1189 . 16 1 1 A 101 101 ARG N N 101 125.100 124.754 0.346 1
1 1190 . 16 1 1 A 102 102 ASP H H 102 10.080 9.367 0.713 1
1 1191 . 16 1 1 A 102 102 ASP HA H 102 4.450 4.265 0.185 1
1 1194 . 16 1 1 A 102 102 ASP C C 102 175.700 175.109 0.591 1
1 1195 . 16 1 1 A 102 102 ASP CA C 102 55.300 55.019 0.281 1
1 1196 . 16 1 1 A 102 102 ASP CB C 102 40.500 39.758 0.742 1
1 1197 . 16 1 1 A 102 102 ASP N N 102 132.000 119.874 12.126 1
1 1198 . 16 1 1 A 103 103 GLY H H 103 8.870 8.230 0.640 1
1 1199 . 16 1 1 A 103 103 GLY HA2 H 103 4.120 3.907 0.213 1
1 1200 . 16 1 1 A 103 103 GLY HA3 H 103 3.830 3.907 -0.077 1
1 1201 . 16 1 1 A 103 103 GLY C C 103 174.000 174.325 -0.325 1
1 1202 . 16 1 1 A 103 103 GLY CA C 103 45.600 45.086 0.514 1
1 1203 . 16 1 1 A 103 103 GLY N N 103 102.900 104.477 -1.577 1
1 1204 . 16 1 1 A 104 104 LYS H H 104 8.130 7.510 0.620 1
1 1205 . 16 1 1 A 104 104 LYS HA H 104 4.650 4.305 0.345 1
1 1208 . 16 1 1 A 104 104 LYS C C 104 176.500 175.519 0.981 1
1 1209 . 16 1 1 A 104 104 LYS CA C 104 55.500 56.845 -1.345 1
1 1210 . 16 1 1 A 104 104 LYS CB C 104 32.600 33.461 -0.861 1
1 1214 . 16 1 1 A 104 104 LYS N N 104 122.400 121.000 1.400 1
1 1215 . 16 1 1 A 105 105 LEU H H 105 8.920 8.898 0.022 1
1 1216 . 16 1 1 A 105 105 LEU HA H 105 5.420 5.175 0.245 1
1 1226 . 16 1 1 A 105 105 LEU C C 105 177.200 174.794 2.406 1
1 1227 . 16 1 1 A 105 105 LEU CA C 105 54.300 53.760 0.540 1
1 1228 . 16 1 1 A 105 105 LEU CB C 105 45.400 44.554 0.846 1
1 1232 . 16 1 1 A 105 105 LEU N N 105 129.200 127.006 2.194 1
1 1233 . 16 1 1 A 106 106 MET H H 106 8.860 9.037 -0.177 1
1 1234 . 16 1 1 A 106 106 MET HA H 106 4.580 5.234 -0.654 1
1 1239 . 16 1 1 A 106 106 MET C C 106 174.500 174.678 -0.178 1
1 1240 . 16 1 1 A 106 106 MET CA C 106 55.300 54.314 0.986 1
1 1241 . 16 1 1 A 106 106 MET CB C 106 36.500 35.970 0.530 1
1 1243 . 16 1 1 A 106 106 MET N N 106 121.500 125.472 -3.972 1
1 1244 . 16 1 1 A 107 107 VAL H H 107 9.180 8.569 0.611 1
1 1245 . 16 1 1 A 107 107 VAL HA H 107 4.690 4.486 0.204 1
1 1253 . 16 1 1 A 107 107 VAL C C 107 176.200 176.309 -0.109 1
1 1254 . 16 1 1 A 107 107 VAL CA C 107 61.400 61.266 0.134 1
1 1255 . 16 1 1 A 107 107 VAL CB C 107 33.400 33.027 0.373 1
1 1258 . 16 1 1 A 107 107 VAL N N 107 129.500 120.992 8.508 1
1 1259 . 16 1 1 A 108 108 GLY H H 108 8.730 8.498 0.232 1
1 1260 . 16 1 1 A 108 108 GLY HA2 H 108 4.430 3.931 0.499 1
1 1261 . 16 1 1 A 108 108 GLY HA3 H 108 3.850 3.986 -0.136 1
1 1262 . 16 1 1 A 108 108 GLY CA C 108 43.800 44.413 -0.613 1
1 1263 . 16 1 1 A 108 108 GLY N N 108 113.600 110.526 3.074 1
1 1271 . 16 1 1 A 109 109 PHE C C 109 172.700 175.272 -2.572 1
1 1272 . 16 1 1 A 109 109 PHE CA C 109 58.900 56.490 2.410 1
1 1273 . 16 1 1 A 109 109 PHE CB C 109 42.100 43.350 -1.250 1
1 1279 . 16 1 1 A 110 110 LYS H H 110 6.510 8.518 -2.008 1
1 1282 . 16 1 1 A 110 110 LYS CA C 110 53.500 55.203 -1.703 1
1 1283 . 16 1 1 A 110 110 LYS CB C 110 34.800 31.977 2.823 1
1 1284 . 16 1 1 A 110 110 LYS N N 110 126.600 121.535 5.065 1
1 1285 . 16 1 1 A 111 111 PRO HA H 111 3.360 4.134 -0.774 1
1 1292 . 16 1 1 A 111 111 PRO C C 111 177.100 178.615 -1.515 1
1 1293 . 16 1 1 A 111 111 PRO CA C 111 66.600 65.736 0.864 1
1 1294 . 16 1 1 A 111 111 PRO CB C 111 31.700 31.793 -0.093 1
1 1297 . 16 1 1 A 112 112 ALA H H 112 8.450 8.347 0.103 1
1 1298 . 16 1 1 A 112 112 ALA HA H 112 4.140 4.115 0.025 1
1 1302 . 16 1 1 A 112 112 ALA C C 112 180.300 180.763 -0.463 1
1 1303 . 16 1 1 A 112 112 ALA CA C 112 54.900 55.478 -0.578 1
1 1304 . 16 1 1 A 112 112 ALA CB C 112 18.800 18.662 0.138 1
1 1305 . 16 1 1 A 112 112 ALA N N 112 116.200 118.655 -2.455 1
1 1306 . 16 1 1 A 113 113 GLN H H 113 6.880 7.839 -0.959 1
1 1307 . 16 1 1 A 113 113 GLN HA H 113 4.130 4.120 0.010 1
1 1314 . 16 1 1 A 113 113 GLN C C 113 178.400 178.278 0.122 1
1 1315 . 16 1 1 A 113 113 GLN CA C 113 60.100 59.197 0.903 1
1 1316 . 16 1 1 A 113 113 GLN CB C 113 29.100 28.770 0.330 1
1 1318 . 16 1 1 A 113 113 GLN N N 113 118.200 117.540 0.660 1
1 1320 . 16 1 1 A 114 114 TYR H H 114 7.600 8.251 -0.651 1
1 1321 . 16 1 1 A 114 114 TYR HA H 114 3.800 4.090 -0.290 1
1 1328 . 16 1 1 A 114 114 TYR C C 114 177.100 178.103 -1.003 1
1 1329 . 16 1 1 A 114 114 TYR CA C 114 61.700 61.413 0.287 1
1 1330 . 16 1 1 A 114 114 TYR CB C 114 33.200 38.441 -5.241 1
1 1335 . 16 1 1 A 114 114 TYR N N 114 124.900 121.074 3.826 1
1 1336 . 16 1 1 A 115 115 GLU H H 115 8.610 8.466 0.144 1
1 1337 . 16 1 1 A 115 115 GLU HA H 115 4.160 4.314 -0.154 1
1 1342 . 16 1 1 A 115 115 GLU C C 115 178.800 178.878 -0.078 1
1 1343 . 16 1 1 A 115 115 GLU CA C 115 60.100 59.642 0.458 1
1 1344 . 16 1 1 A 115 115 GLU CB C 115 30.000 30.094 -0.094 1
1 1346 . 16 1 1 A 115 115 GLU N N 115 119.300 118.802 0.498 1
1 1347 . 16 1 1 A 116 116 ALA H H 116 7.390 8.088 -0.698 1
1 1348 . 16 1 1 A 116 116 ALA HA H 116 4.210 4.181 0.029 1
1 1352 . 16 1 1 A 116 116 ALA C C 116 179.700 179.241 0.459 1
1 1353 . 16 1 1 A 116 116 ALA CA C 116 54.600 55.035 -0.435 1
1 1354 . 16 1 1 A 116 116 ALA CB C 116 18.200 18.273 -0.073 1
1 1355 . 16 1 1 A 116 116 ALA N N 116 118.200 122.704 -4.504 1
1 1356 . 16 1 1 A 117 117 TYR H H 117 7.780 8.408 -0.628 1
1 1357 . 16 1 1 A 117 117 TYR HA H 117 3.890 4.232 -0.342 1
1 1364 . 16 1 1 A 117 117 TYR C C 117 177.300 177.076 0.224 1
1 1365 . 16 1 1 A 117 117 TYR CA C 117 61.100 61.177 -0.077 1
1 1366 . 16 1 1 A 117 117 TYR CB C 117 39.200 39.124 0.076 1
1 1371 . 16 1 1 A 117 117 TYR N N 117 120.200 117.353 2.847 1
1 1372 . 16 1 1 A 118 118 PHE H H 118 7.960 7.807 0.153 1
1 1379 . 16 1 1 A 118 118 PHE C C 118 174.900 175.199 -0.299 1
1 1380 . 16 1 1 A 118 118 PHE CA C 118 57.850 57.792 0.058 1
1 1381 . 16 1 1 A 118 118 PHE CB C 118 39.100 39.008 0.092 1
1 1386 . 16 1 1 A 118 118 PHE N N 118 113.100 119.869 -6.769 1
1 1387 . 16 1 1 A 119 119 LYS H H 119 7.670 7.683 -0.013 1
1 1388 . 16 1 1 A 119 119 LYS HA H 119 4.210 4.649 -0.439 1
1 1397 . 16 1 1 A 119 119 LYS CA C 119 57.300 55.228 2.072 1
1 1398 . 16 1 1 A 119 119 LYS CB C 119 31.200 34.248 -3.048 1
1 1402 . 16 1 1 A 119 119 LYS N N 119 120.200 122.683 -2.483 1
1 1 . 17 1 1 A 2 2 PRO HA H 2 4.500 4.565 -0.065 1
1 8 . 17 1 1 A 2 2 PRO C C 2 177.500 176.797 0.703 1
1 9 . 17 1 1 A 2 2 PRO CA C 2 63.500 64.352 -0.852 1
1 10 . 17 1 1 A 2 2 PRO CB C 2 32.200 32.099 0.101 1
1 13 . 17 1 1 A 3 3 GLY H H 3 8.113 7.424 0.689 1
1 14 . 17 1 1 A 3 3 GLY HA2 H 3 4.060 4.129 -0.069 1
1 15 . 17 1 1 A 3 3 GLY HA3 H 3 4.030 4.131 -0.101 1
1 16 . 17 1 1 A 3 3 GLY CA C 3 45.300 45.718 -0.418 1
1 17 . 17 1 1 A 3 3 GLY N N 3 110.500 103.579 6.921 1
1 18 . 17 1 1 A 4 4 SER H H 4 8.280 8.428 -0.148 1
1 19 . 17 1 1 A 4 4 SER HA H 4 4.520 4.366 0.154 1
1 22 . 17 1 1 A 4 4 SER C C 4 178.100 173.821 4.279 1
1 23 . 17 1 1 A 4 4 SER CA C 4 58.600 60.597 -1.997 1
1 24 . 17 1 1 A 4 4 SER CB C 4 63.800 63.422 0.378 1
1 25 . 17 1 1 A 4 4 SER N N 4 115.900 116.109 -0.209 1
1 26 . 17 1 1 A 5 5 MET H H 5 8.680 7.850 0.830 1
1 27 . 17 1 1 A 5 5 MET HA H 5 4.700 5.077 -0.377 1
1 32 . 17 1 1 A 5 5 MET C C 5 174.800 173.946 0.854 1
1 33 . 17 1 1 A 5 5 MET CA C 5 54.900 54.539 0.361 1
1 34 . 17 1 1 A 5 5 MET CB C 5 32.500 39.263 -6.763 1
1 36 . 17 1 1 A 5 5 MET N N 5 121.500 118.170 3.330 1
1 37 . 17 1 1 A 6 6 SER H H 6 8.220 8.955 -0.735 1
1 38 . 17 1 1 A 6 6 SER HA H 6 4.580 4.846 -0.266 1
1 41 . 17 1 1 A 6 6 SER C C 6 174.200 171.994 2.206 1
1 42 . 17 1 1 A 6 6 SER CA C 6 59.100 56.220 2.880 1
1 43 . 17 1 1 A 6 6 SER CB C 6 63.800 65.106 -1.306 1
1 44 . 17 1 1 A 6 6 SER N N 6 117.000 115.172 1.828 1
1 45 . 17 1 1 A 7 7 VAL H H 7 8.750 8.525 0.225 1
1 46 . 17 1 1 A 7 7 VAL HA H 7 4.840 5.059 -0.219 1
1 54 . 17 1 1 A 7 7 VAL C C 7 175.800 174.997 0.803 1
1 55 . 17 1 1 A 7 7 VAL CA C 7 61.800 60.587 1.213 1
1 56 . 17 1 1 A 7 7 VAL CB C 7 33.800 35.469 -1.669 1
1 59 . 17 1 1 A 7 7 VAL N N 7 124.100 121.812 2.288 1
1 60 . 17 1 1 A 8 8 THR H H 8 8.880 8.225 0.655 1
1 61 . 17 1 1 A 8 8 THR HA H 8 5.360 5.156 0.204 1
1 66 . 17 1 1 A 8 8 THR C C 8 172.500 172.713 -0.213 1
1 67 . 17 1 1 A 8 8 THR CA C 8 61.700 61.606 0.094 1
1 68 . 17 1 1 A 8 8 THR CB C 8 70.600 72.100 -1.500 1
1 70 . 17 1 1 A 8 8 THR N N 8 124.500 122.424 2.076 1
1 71 . 17 1 1 A 9 9 ILE H H 9 9.170 9.112 0.058 1
1 72 . 17 1 1 A 9 9 ILE HA H 9 5.610 5.576 0.034 1
1 82 . 17 1 1 A 9 9 ILE C C 9 172.500 172.576 -0.076 1
1 83 . 17 1 1 A 9 9 ILE CA C 9 58.300 58.493 -0.193 1
1 84 . 17 1 1 A 9 9 ILE CB C 9 42.400 41.453 0.947 1
1 88 . 17 1 1 A 9 9 ILE N N 9 123.900 128.171 -4.271 1
1 89 . 17 1 1 A 10 10 TYR H H 10 9.740 9.425 0.315 1
1 90 . 17 1 1 A 10 10 TYR HA H 10 5.410 5.499 -0.089 1
1 95 . 17 1 1 A 10 10 TYR C C 10 177.500 176.009 1.491 1
1 96 . 17 1 1 A 10 10 TYR CA C 10 56.500 55.604 0.896 1
1 97 . 17 1 1 A 10 10 TYR CB C 10 40.300 40.534 -0.234 1
1 100 . 17 1 1 A 10 10 TYR N N 10 125.300 127.836 -2.536 1
1 101 . 17 1 1 A 11 11 GLY H H 11 7.880 8.343 -0.463 1
1 102 . 17 1 1 A 11 11 GLY HA2 H 11 4.700 4.399 0.301 1
1 103 . 17 1 1 A 11 11 GLY HA3 H 11 4.700 4.444 0.256 1
1 104 . 17 1 1 A 11 11 GLY C C 11 170.000 172.739 -2.739 1
1 105 . 17 1 1 A 11 11 GLY CA C 11 46.700 45.747 0.953 1
1 106 . 17 1 1 A 11 11 GLY N N 11 108.600 109.389 -0.789 1
1 107 . 17 1 1 A 12 12 ILE H H 12 6.340 8.772 -2.432 1
1 108 . 17 1 1 A 12 12 ILE HA H 12 5.330 5.215 0.115 1
1 118 . 17 1 1 A 12 12 ILE C C 12 175.100 176.174 -1.074 1
1 119 . 17 1 1 A 12 12 ILE CA C 12 59.300 58.780 0.520 1
1 120 . 17 1 1 A 12 12 ILE CB C 12 41.000 41.828 -0.828 1
1 124 . 17 1 1 A 12 12 ILE N N 12 113.300 119.170 -5.870 1
1 125 . 17 1 1 A 13 13 LYS H H 13 9.450 9.018 0.432 1
1 126 . 17 1 1 A 13 13 LYS HA H 13 4.090 4.508 -0.418 1
1 129 . 17 1 1 A 13 13 LYS C C 13 177.800 177.000 0.800 1
1 130 . 17 1 1 A 13 13 LYS CA C 13 59.200 58.268 0.932 1
1 131 . 17 1 1 A 13 13 LYS CB C 13 33.600 33.659 -0.059 1
1 133 . 17 1 1 A 13 13 LYS N N 13 120.900 120.180 0.720 1
1 134 . 17 1 1 A 14 14 ASN H H 14 8.700 7.809 0.891 1
1 135 . 17 1 1 A 14 14 ASN HA H 14 4.690 4.873 -0.183 1
1 140 . 17 1 1 A 14 14 ASN C C 14 173.100 173.878 -0.778 1
1 141 . 17 1 1 A 14 14 ASN CA C 14 52.700 52.648 0.052 1
1 142 . 17 1 1 A 14 14 ASN CB C 14 36.300 36.757 -0.457 1
1 143 . 17 1 1 A 14 14 ASN N N 14 116.600 116.522 0.078 1
1 145 . 17 1 1 A 15 15 CYS H H 15 7.440 7.930 -0.490 1
1 146 . 17 1 1 A 15 15 CYS HA H 15 4.510 4.724 -0.214 1
1 149 . 17 1 1 A 15 15 CYS CA C 15 59.100 58.544 0.556 1
1 150 . 17 1 1 A 15 15 CYS CB C 15 30.800 30.072 0.728 1
1 151 . 17 1 1 A 15 15 CYS N N 15 124.400 122.428 1.972 1
1 152 . 17 1 1 A 16 16 ASP HA H 16 4.460 4.377 0.083 1
1 155 . 17 1 1 A 16 16 ASP C C 16 178.000 177.982 0.018 1
1 156 . 17 1 1 A 16 16 ASP CA C 16 57.500 57.100 0.400 1
1 157 . 17 1 1 A 16 16 ASP CB C 16 41.400 39.573 1.827 1
1 158 . 17 1 1 A 17 17 THR H H 17 9.210 8.139 1.071 1
1 159 . 17 1 1 A 17 17 THR HA H 17 4.000 3.831 0.169 1
1 164 . 17 1 1 A 17 17 THR C C 17 176.000 176.784 -0.784 1
1 165 . 17 1 1 A 17 17 THR CA C 17 67.400 67.253 0.147 1
1 166 . 17 1 1 A 17 17 THR CB C 17 68.200 68.395 -0.195 1
1 168 . 17 1 1 A 17 17 THR N N 17 122.200 116.813 5.387 1
1 169 . 17 1 1 A 18 18 MET H H 18 8.940 8.222 0.718 1
1 170 . 17 1 1 A 18 18 MET HA H 18 3.990 3.988 0.002 1
1 176 . 17 1 1 A 18 18 MET C C 18 178.300 178.610 -0.310 1
1 177 . 17 1 1 A 18 18 MET CA C 18 56.000 59.336 -3.336 1
1 178 . 17 1 1 A 18 18 MET CB C 18 31.400 32.935 -1.535 1
1 181 . 17 1 1 A 18 18 MET N N 18 125.300 118.145 7.155 1
1 182 . 17 1 1 A 19 19 LYS H H 19 8.080 7.868 0.212 1
1 183 . 17 1 1 A 19 19 LYS HA H 19 3.800 3.869 -0.069 1
1 186 . 17 1 1 A 19 19 LYS CA C 19 60.000 59.627 0.373 1
1 187 . 17 1 1 A 19 19 LYS CB C 19 32.500 32.594 -0.094 1
1 191 . 17 1 1 A 19 19 LYS N N 19 117.900 120.453 -2.553 1
1 192 . 17 1 1 A 20 20 LYS H H 20 7.510 7.784 -0.274 1
1 193 . 17 1 1 A 20 20 LYS HA H 20 3.790 4.096 -0.306 1
1 198 . 17 1 1 A 20 20 LYS C C 20 178.500 179.127 -0.627 1
1 199 . 17 1 1 A 20 20 LYS CA C 20 59.500 59.725 -0.225 1
1 200 . 17 1 1 A 20 20 LYS CB C 20 32.800 32.382 0.418 1
1 204 . 17 1 1 A 20 20 LYS N N 20 117.500 118.822 -1.322 1
1 205 . 17 1 1 A 21 21 ALA H H 21 7.730 8.351 -0.621 1
1 206 . 17 1 1 A 21 21 ALA HA H 21 2.540 4.110 -1.570 1
1 210 . 17 1 1 A 21 21 ALA C C 21 178.700 179.817 -1.117 1
1 211 . 17 1 1 A 21 21 ALA CA C 21 54.400 55.377 -0.977 1
1 212 . 17 1 1 A 21 21 ALA CB C 21 19.000 18.453 0.547 1
1 213 . 17 1 1 A 21 21 ALA N N 21 123.600 121.997 1.603 1
1 214 . 17 1 1 A 22 22 ARG H H 22 8.110 8.323 -0.213 1
1 215 . 17 1 1 A 22 22 ARG HA H 22 3.490 4.423 -0.933 1
1 222 . 17 1 1 A 22 22 ARG C C 22 178.200 178.844 -0.644 1
1 223 . 17 1 1 A 22 22 ARG CA C 22 60.500 59.431 1.069 1
1 224 . 17 1 1 A 22 22 ARG CB C 22 30.700 29.825 0.875 1
1 227 . 17 1 1 A 22 22 ARG N N 22 116.100 117.930 -1.830 1
1 228 . 17 1 1 A 23 23 ILE H H 23 7.860 8.110 -0.250 1
1 229 . 17 1 1 A 23 23 ILE HA H 23 3.710 3.761 -0.051 1
1 239 . 17 1 1 A 23 23 ILE C C 23 177.200 178.578 -1.378 1
1 240 . 17 1 1 A 23 23 ILE CA C 23 65.000 64.704 0.296 1
1 241 . 17 1 1 A 23 23 ILE CB C 23 38.000 37.325 0.675 1
1 245 . 17 1 1 A 23 23 ILE N N 23 119.400 118.940 0.460 1
1 246 . 17 1 1 A 24 24 TRP H H 24 7.880 8.127 -0.247 1
1 247 . 17 1 1 A 24 24 TRP HA H 24 4.270 4.339 -0.069 1
1 256 . 17 1 1 A 24 24 TRP C C 24 176.100 178.505 -2.405 1
1 257 . 17 1 1 A 24 24 TRP CA C 24 63.100 61.229 1.871 1
1 258 . 17 1 1 A 24 24 TRP CB C 24 30.200 29.785 0.415 1
1 264 . 17 1 1 A 24 24 TRP N N 24 121.000 122.362 -1.362 1
1 266 . 17 1 1 A 25 25 LEU H H 25 8.690 8.639 0.051 1
1 267 . 17 1 1 A 25 25 LEU HA H 25 4.000 3.984 0.016 1
1 277 . 17 1 1 A 25 25 LEU C C 25 178.600 179.184 -0.584 1
1 278 . 17 1 1 A 25 25 LEU CA C 25 59.700 58.084 1.616 1
1 279 . 17 1 1 A 25 25 LEU CB C 25 41.200 41.163 0.037 1
1 283 . 17 1 1 A 25 25 LEU N N 25 121.800 120.836 0.964 1
1 284 . 17 1 1 A 26 26 GLU H H 26 8.580 8.739 -0.159 1
1 285 . 17 1 1 A 26 26 GLU HA H 26 4.200 4.168 0.032 1
1 290 . 17 1 1 A 26 26 GLU C C 26 181.200 178.580 2.620 1
1 291 . 17 1 1 A 26 26 GLU CA C 26 59.500 59.322 0.178 1
1 292 . 17 1 1 A 26 26 GLU CB C 26 28.800 29.149 -0.349 1
1 294 . 17 1 1 A 26 26 GLU N N 26 120.600 117.758 2.842 1
1 295 . 17 1 1 A 27 27 ASP H H 27 9.360 7.966 1.394 1
1 296 . 17 1 1 A 27 27 ASP HA H 27 4.270 4.343 -0.073 1
1 299 . 17 1 1 A 27 27 ASP C C 27 177.400 178.618 -1.218 1
1 300 . 17 1 1 A 27 27 ASP CA C 27 56.400 57.097 -0.697 1
1 301 . 17 1 1 A 27 27 ASP CB C 27 40.000 41.075 -1.075 1
1 302 . 17 1 1 A 27 27 ASP N N 27 121.800 120.855 0.945 1
1 303 . 17 1 1 A 28 28 HIS H H 28 7.340 7.974 -0.634 1
1 304 . 17 1 1 A 28 28 HIS HA H 28 4.250 4.305 -0.055 1
1 309 . 17 1 1 A 28 28 HIS C C 28 173.600 175.384 -1.784 1
1 310 . 17 1 1 A 28 28 HIS CA C 28 56.700 58.224 -1.524 1
1 311 . 17 1 1 A 28 28 HIS CB C 28 27.500 30.431 -2.931 1
1 314 . 17 1 1 A 28 28 HIS N N 28 113.400 119.146 -5.746 1
1 315 . 17 1 1 A 29 29 GLY H H 29 7.790 7.959 -0.169 1
1 316 . 17 1 1 A 29 29 GLY HA2 H 29 3.870 3.844 0.026 1
1 317 . 17 1 1 A 29 29 GLY HA3 H 29 3.870 3.900 -0.030 1
1 318 . 17 1 1 A 29 29 GLY C C 29 174.200 174.622 -0.422 1
1 319 . 17 1 1 A 29 29 GLY CA C 29 46.900 46.655 0.245 1
1 320 . 17 1 1 A 29 29 GLY N N 29 109.400 107.604 1.796 1
1 321 . 17 1 1 A 30 30 ILE H H 30 8.120 7.990 0.130 1
1 322 . 17 1 1 A 30 30 ILE HA H 30 4.040 4.509 -0.469 1
1 332 . 17 1 1 A 30 30 ILE C C 30 175.500 174.777 0.723 1
1 333 . 17 1 1 A 30 30 ILE CA C 30 60.000 60.264 -0.264 1
1 334 . 17 1 1 A 30 30 ILE CB C 30 38.100 39.220 -1.120 1
1 338 . 17 1 1 A 30 30 ILE N N 30 121.800 120.290 1.510 1
1 339 . 17 1 1 A 31 31 ASP H H 31 8.430 8.994 -0.564 1
1 340 . 17 1 1 A 31 31 ASP HA H 31 4.650 5.166 -0.516 1
1 343 . 17 1 1 A 31 31 ASP C C 31 175.800 175.140 0.660 1
1 344 . 17 1 1 A 31 31 ASP CA C 31 54.600 53.994 0.606 1
1 345 . 17 1 1 A 31 31 ASP CB C 31 41.600 42.333 -0.733 1
1 346 . 17 1 1 A 31 31 ASP N N 31 128.500 128.425 0.075 1
1 347 . 17 1 1 A 32 32 TYR H H 32 7.920 8.781 -0.861 1
1 348 . 17 1 1 A 32 32 TYR HA H 32 5.500 5.432 0.068 1
1 355 . 17 1 1 A 32 32 TYR C C 32 173.800 172.351 1.449 1
1 356 . 17 1 1 A 32 32 TYR CA C 32 56.100 56.848 -0.748 1
1 357 . 17 1 1 A 32 32 TYR CB C 32 41.700 40.530 1.170 1
1 362 . 17 1 1 A 32 32 TYR N N 32 117.500 120.779 -3.279 1
1 363 . 17 1 1 A 33 33 THR H H 33 8.900 8.872 0.028 1
1 364 . 17 1 1 A 33 33 THR HA H 33 4.470 4.521 -0.051 1
1 369 . 17 1 1 A 33 33 THR C C 33 172.900 173.273 -0.373 1
1 370 . 17 1 1 A 33 33 THR CA C 33 61.800 62.054 -0.254 1
1 371 . 17 1 1 A 33 33 THR CB C 33 70.800 69.478 1.322 1
1 373 . 17 1 1 A 33 33 THR N N 33 117.100 117.296 -0.196 1
1 374 . 17 1 1 A 34 34 PHE H H 34 9.280 8.717 0.563 1
1 375 . 17 1 1 A 34 34 PHE HA H 34 5.520 4.578 0.942 1
1 383 . 17 1 1 A 34 34 PHE CA C 34 53.900 57.253 -3.353 1
1 384 . 17 1 1 A 34 34 PHE CB C 34 39.900 39.260 0.640 1
1 390 . 17 1 1 A 34 34 PHE N N 34 128.200 126.799 1.401 1
1 391 . 17 1 1 A 35 35 HIS H H 35 9.210 8.806 0.404 1
1 392 . 17 1 1 A 35 35 HIS HA H 35 4.240 4.638 -0.398 1
1 397 . 17 1 1 A 35 35 HIS CA C 35 54.900 53.848 1.052 1
1 398 . 17 1 1 A 35 35 HIS CB C 35 30.700 31.765 -1.065 1
1 401 . 17 1 1 A 35 35 HIS N N 35 133.900 125.376 8.524 1
1 402 . 17 1 1 A 36 36 ASP H H 36 7.930 8.628 -0.698 1
1 403 . 17 1 1 A 36 36 ASP HA H 36 4.470 4.769 -0.299 1
1 406 . 17 1 1 A 36 36 ASP C C 36 178.500 176.665 1.835 1
1 407 . 17 1 1 A 36 36 ASP CA C 36 50.900 52.998 -2.098 1
1 408 . 17 1 1 A 36 36 ASP CB C 36 42.200 41.756 0.444 1
1 409 . 17 1 1 A 36 36 ASP N N 36 127.000 123.531 3.469 1
1 410 . 17 1 1 A 37 37 TYR H H 37 9.290 8.984 0.306 1
1 417 . 17 1 1 A 37 37 TYR C C 37 178.700 178.341 0.359 1
1 418 . 17 1 1 A 37 37 TYR CA C 37 58.700 61.083 -2.383 1
1 419 . 17 1 1 A 37 37 TYR CB C 37 39.100 37.911 1.189 1
1 424 . 17 1 1 A 37 37 TYR N N 37 126.400 122.129 4.271 1
1 425 . 17 1 1 A 38 38 LYS H H 38 8.880 8.272 0.608 1
1 426 . 17 1 1 A 38 38 LYS HA H 38 4.300 4.298 0.002 1
1 429 . 17 1 1 A 38 38 LYS CA C 38 57.700 58.974 -1.274 1
1 430 . 17 1 1 A 38 38 LYS CB C 38 31.600 32.555 -0.955 1
1 434 . 17 1 1 A 38 38 LYS N N 38 115.800 119.007 -3.207 1
1 435 . 17 1 1 A 39 39 LYS H H 39 7.330 8.024 -0.694 1
1 436 . 17 1 1 A 39 39 LYS HA H 39 4.420 3.933 0.487 1
1 443 . 17 1 1 A 39 39 LYS CA C 39 57.500 59.759 -2.259 1
1 444 . 17 1 1 A 39 39 LYS CB C 39 34.600 32.413 2.187 1
1 448 . 17 1 1 A 39 39 LYS N N 39 118.800 120.570 -1.770 1
1 449 . 17 1 1 A 40 40 GLU H H 40 8.570 7.623 0.947 1
1 450 . 17 1 1 A 40 40 GLU HA H 40 4.280 4.210 0.070 1
1 455 . 17 1 1 A 40 40 GLU CA C 40 57.900 57.018 0.882 1
1 456 . 17 1 1 A 40 40 GLU CB C 40 29.300 30.181 -0.881 1
1 458 . 17 1 1 A 40 40 GLU N N 40 117.600 118.065 -0.465 1
1 459 . 17 1 1 A 41 41 GLY H H 41 7.470 7.818 -0.348 1
1 460 . 17 1 1 A 41 41 GLY HA2 H 41 4.310 4.072 0.238 1
1 461 . 17 1 1 A 41 41 GLY HA3 H 41 4.170 4.085 0.085 1
1 462 . 17 1 1 A 41 41 GLY CA C 41 44.900 44.469 0.431 1
1 463 . 17 1 1 A 41 41 GLY N N 41 106.300 107.184 -0.884 1
1 464 . 17 1 1 A 42 42 LEU H H 42 8.290 8.444 -0.154 1
1 465 . 17 1 1 A 42 42 LEU HA H 42 4.950 5.229 -0.279 1
1 475 . 17 1 1 A 42 42 LEU C C 42 173.800 175.143 -1.343 1
1 476 . 17 1 1 A 42 42 LEU CA C 42 54.500 53.831 0.669 1
1 477 . 17 1 1 A 42 42 LEU CB C 42 43.400 45.088 -1.688 1
1 481 . 17 1 1 A 42 42 LEU N N 42 121.000 123.204 -2.204 1
1 482 . 17 1 1 A 43 43 ASP H H 43 8.520 8.613 -0.093 1
1 483 . 17 1 1 A 43 43 ASP HA H 43 4.800 5.079 -0.279 1
1 486 . 17 1 1 A 43 43 ASP C C 43 175.400 176.705 -1.305 1
1 487 . 17 1 1 A 43 43 ASP CA C 43 51.600 51.759 -0.159 1
1 488 . 17 1 1 A 43 43 ASP CB C 43 42.200 43.338 -1.138 1
1 489 . 17 1 1 A 43 43 ASP N N 43 124.800 126.290 -1.490 1
1 490 . 17 1 1 A 44 44 ALA H H 44 8.640 8.787 -0.147 1
1 491 . 17 1 1 A 44 44 ALA HA H 44 3.780 3.997 -0.217 1
1 495 . 17 1 1 A 44 44 ALA C C 44 178.100 179.735 -1.635 1
1 496 . 17 1 1 A 44 44 ALA CA C 44 55.400 55.614 -0.214 1
1 497 . 17 1 1 A 44 44 ALA CB C 44 18.100 18.137 -0.037 1
1 498 . 17 1 1 A 44 44 ALA N N 44 122.400 122.390 0.010 1
1 499 . 17 1 1 A 45 45 GLU H H 45 8.240 8.259 -0.019 1
1 500 . 17 1 1 A 45 45 GLU HA H 45 3.920 4.005 -0.085 1
1 505 . 17 1 1 A 45 45 GLU C C 45 179.300 179.167 0.133 1
1 506 . 17 1 1 A 45 45 GLU CA C 45 59.800 59.884 -0.084 1
1 507 . 17 1 1 A 45 45 GLU CB C 45 29.200 29.259 -0.059 1
1 509 . 17 1 1 A 45 45 GLU N N 45 115.600 118.726 -3.126 1
1 510 . 17 1 1 A 46 46 THR H H 46 7.910 7.608 0.302 1
1 511 . 17 1 1 A 46 46 THR HA H 46 3.500 3.879 -0.379 1
1 516 . 17 1 1 A 46 46 THR C C 46 174.300 176.237 -1.937 1
1 517 . 17 1 1 A 46 46 THR CA C 46 66.600 67.631 -1.031 1
1 518 . 17 1 1 A 46 46 THR CB C 46 67.700 68.430 -0.730 1
1 520 . 17 1 1 A 46 46 THR N N 46 117.700 116.509 1.191 1
1 521 . 17 1 1 A 47 47 LEU H H 47 7.710 8.239 -0.529 1
1 522 . 17 1 1 A 47 47 LEU HA H 47 3.510 4.055 -0.545 1
1 532 . 17 1 1 A 47 47 LEU C C 47 178.000 178.131 -0.131 1
1 533 . 17 1 1 A 47 47 LEU CA C 47 57.900 58.373 -0.473 1
1 534 . 17 1 1 A 47 47 LEU CB C 47 41.500 41.275 0.225 1
1 538 . 17 1 1 A 47 47 LEU N N 47 120.400 121.335 -0.935 1
1 539 . 17 1 1 A 48 48 ASP H H 48 9.000 8.635 0.365 1
1 540 . 17 1 1 A 48 48 ASP HA H 48 4.490 4.270 0.220 1
1 543 . 17 1 1 A 48 48 ASP C C 48 179.100 178.019 1.081 1
1 544 . 17 1 1 A 48 48 ASP CA C 48 57.500 57.838 -0.338 1
1 545 . 17 1 1 A 48 48 ASP CB C 48 39.100 41.518 -2.418 1
1 546 . 17 1 1 A 48 48 ASP N N 48 116.800 118.661 -1.861 1
1 547 . 17 1 1 A 49 49 ARG H H 49 7.560 8.009 -0.449 1
1 548 . 17 1 1 A 49 49 ARG HA H 49 4.110 3.872 0.238 1
1 555 . 17 1 1 A 49 49 ARG C C 49 180.100 178.806 1.294 1
1 556 . 17 1 1 A 49 49 ARG CA C 49 60.300 59.017 1.283 1
1 557 . 17 1 1 A 49 49 ARG CB C 49 29.600 29.509 0.091 1
1 560 . 17 1 1 A 49 49 ARG N N 49 122.100 119.608 2.492 1
1 561 . 17 1 1 A 50 50 PHE H H 50 8.300 7.891 0.409 1
1 562 . 17 1 1 A 50 50 PHE HA H 50 4.550 4.342 0.208 1
1 569 . 17 1 1 A 50 50 PHE C C 50 178.400 178.211 0.189 1
1 570 . 17 1 1 A 50 50 PHE CA C 50 57.500 60.941 -3.441 1
1 571 . 17 1 1 A 50 50 PHE CB C 50 36.900 38.563 -1.663 1
1 576 . 17 1 1 A 50 50 PHE N N 50 122.100 118.846 3.254 1
1 577 . 17 1 1 A 51 51 LEU H H 51 8.460 8.478 -0.018 1
1 587 . 17 1 1 A 51 51 LEU CA C 51 55.920 58.014 -2.094 1
1 588 . 17 1 1 A 51 51 LEU CB C 51 42.400 41.630 0.770 1
1 592 . 17 1 1 A 51 51 LEU N N 51 117.000 121.406 -4.406 1
1 593 . 17 1 1 A 52 52 LYS H H 52 7.660 8.015 -0.355 1
1 594 . 17 1 1 A 52 52 LYS HA H 52 4.180 3.981 0.199 1
1 603 . 17 1 1 A 52 52 LYS C C 52 178.300 179.348 -1.048 1
1 604 . 17 1 1 A 52 52 LYS CA C 52 58.700 59.531 -0.831 1
1 605 . 17 1 1 A 52 52 LYS CB C 52 32.700 32.355 0.345 1
1 609 . 17 1 1 A 52 52 LYS N N 52 119.100 120.050 -0.950 1
1 610 . 17 1 1 A 53 53 THR H H 53 7.430 7.198 0.232 1
1 611 . 17 1 1 A 53 53 THR HA H 53 4.570 4.295 0.275 1
1 616 . 17 1 1 A 53 53 THR C C 53 173.800 174.698 -0.898 1
1 617 . 17 1 1 A 53 53 THR CA C 53 62.600 64.733 -2.133 1
1 618 . 17 1 1 A 53 53 THR CB C 53 70.800 69.754 1.046 1
1 620 . 17 1 1 A 53 53 THR N N 53 107.400 110.961 -3.561 1
1 621 . 17 1 1 A 54 54 VAL H H 54 8.500 7.995 0.505 1
1 622 . 17 1 1 A 54 54 VAL HA H 54 4.540 4.632 -0.092 1
1 630 . 17 1 1 A 54 54 VAL C C 54 179.400 173.487 5.913 1
1 631 . 17 1 1 A 54 54 VAL CA C 54 59.100 58.945 0.155 1
1 632 . 17 1 1 A 54 54 VAL CB C 54 33.500 35.386 -1.886 1
1 635 . 17 1 1 A 54 54 VAL N N 54 125.200 119.777 5.423 1
1 636 . 17 1 1 A 55 55 PRO HA H 55 4.590 4.559 0.031 1
1 643 . 17 1 1 A 55 55 PRO C C 55 179.400 177.667 1.733 1
1 644 . 17 1 1 A 55 55 PRO CA C 55 62.100 62.619 -0.519 1
1 645 . 17 1 1 A 55 55 PRO CB C 55 32.900 32.671 0.229 1
1 648 . 17 1 1 A 56 56 TRP H H 56 8.690 8.808 -0.118 1
1 649 . 17 1 1 A 56 56 TRP HA H 56 3.990 4.309 -0.319 1
1 657 . 17 1 1 A 56 56 TRP C C 56 177.500 177.819 -0.319 1
1 658 . 17 1 1 A 56 56 TRP CA C 56 61.000 60.459 0.541 1
1 659 . 17 1 1 A 56 56 TRP CB C 56 27.400 28.443 -1.043 1
1 664 . 17 1 1 A 56 56 TRP N N 56 122.500 125.198 -2.698 1
1 666 . 17 1 1 A 57 57 GLU H H 57 8.410 7.751 0.659 1
1 667 . 17 1 1 A 57 57 GLU HA H 57 3.270 3.909 -0.639 1
1 672 . 17 1 1 A 57 57 GLU C C 57 178.000 177.005 0.995 1
1 673 . 17 1 1 A 57 57 GLU CA C 57 60.200 58.725 1.475 1
1 674 . 17 1 1 A 57 57 GLU CB C 57 28.200 28.290 -0.090 1
1 676 . 17 1 1 A 57 57 GLU N N 57 120.600 118.416 2.184 1
1 677 . 17 1 1 A 58 58 GLN H H 58 7.600 7.770 -0.170 1
1 678 . 17 1 1 A 58 58 GLN HA H 58 4.170 4.554 -0.384 1
1 683 . 17 1 1 A 58 58 GLN C C 58 175.500 175.741 -0.241 1
1 684 . 17 1 1 A 58 58 GLN CA C 58 56.000 54.910 1.090 1
1 685 . 17 1 1 A 58 58 GLN CB C 58 29.600 28.856 0.744 1
1 687 . 17 1 1 A 58 58 GLN N N 58 114.700 118.249 -3.549 1
1 688 . 17 1 1 A 59 59 LEU H H 59 7.440 8.195 -0.755 1
1 689 . 17 1 1 A 59 59 LEU HA H 59 4.220 4.617 -0.397 1
1 699 . 17 1 1 A 59 59 LEU C C 59 175.100 175.756 -0.656 1
1 700 . 17 1 1 A 59 59 LEU CA C 59 55.600 54.063 1.537 1
1 701 . 17 1 1 A 59 59 LEU CB C 59 44.700 43.341 1.359 1
1 705 . 17 1 1 A 59 59 LEU N N 59 119.500 121.895 -2.395 1
1 706 . 17 1 1 A 60 60 LEU H H 60 8.120 7.571 0.549 1
1 707 . 17 1 1 A 60 60 LEU HA H 60 4.410 4.943 -0.533 1
1 717 . 17 1 1 A 60 60 LEU C C 60 176.100 175.525 0.575 1
1 718 . 17 1 1 A 60 60 LEU CA C 60 55.400 53.503 1.897 1
1 719 . 17 1 1 A 60 60 LEU CB C 60 42.900 45.327 -2.427 1
1 723 . 17 1 1 A 60 60 LEU N N 60 119.300 118.252 1.048 1
1 724 . 17 1 1 A 61 61 ASN H H 61 9.120 8.653 0.467 1
1 729 . 17 1 1 A 61 61 ASN C C 61 175.600 174.802 0.798 1
1 730 . 17 1 1 A 61 61 ASN CA C 61 51.300 53.814 -2.514 1
1 731 . 17 1 1 A 61 61 ASN CB C 61 36.800 38.873 -2.073 1
1 732 . 17 1 1 A 61 61 ASN N N 61 124.900 117.860 7.040 1
1 734 . 17 1 1 A 62 62 ARG H H 62 8.140 8.787 -0.647 1
1 735 . 17 1 1 A 62 62 ARG HA H 62 3.450 4.066 -0.616 1
1 742 . 17 1 1 A 62 62 ARG C C 62 175.200 177.345 -2.145 1
1 743 . 17 1 1 A 62 62 ARG CA C 62 57.600 56.611 0.989 1
1 744 . 17 1 1 A 62 62 ARG CB C 62 30.200 31.500 -1.300 1
1 747 . 17 1 1 A 62 62 ARG N N 62 125.500 121.342 4.158 1
1 748 . 17 1 1 A 63 63 ALA H H 63 7.610 7.387 0.223 1
1 749 . 17 1 1 A 63 63 ALA HA H 63 4.460 4.327 0.133 1
1 753 . 17 1 1 A 63 63 ALA C C 63 178.300 177.930 0.370 1
1 754 . 17 1 1 A 63 63 ALA CA C 63 51.800 51.960 -0.160 1
1 755 . 17 1 1 A 63 63 ALA CB C 63 19.300 20.002 -0.702 1
1 756 . 17 1 1 A 63 63 ALA N N 63 118.600 119.272 -0.672 1
1 757 . 17 1 1 A 64 64 GLY H H 64 7.150 8.156 -1.006 1
1 758 . 17 1 1 A 64 64 GLY HA2 H 64 4.410 4.044 0.366 1
1 759 . 17 1 1 A 64 64 GLY HA3 H 64 4.020 4.057 -0.037 1
1 760 . 17 1 1 A 64 64 GLY C C 64 173.500 175.597 -2.097 1
1 761 . 17 1 1 A 64 64 GLY CA C 64 45.400 45.520 -0.120 1
1 762 . 17 1 1 A 64 64 GLY N N 64 105.700 106.084 -0.384 1
1 763 . 17 1 1 A 65 65 THR H H 65 8.340 8.653 -0.313 1
1 764 . 17 1 1 A 65 65 THR HA H 65 3.880 4.035 -0.155 1
1 769 . 17 1 1 A 65 65 THR C C 65 176.300 176.151 0.149 1
1 770 . 17 1 1 A 65 65 THR CA C 65 65.500 65.219 0.281 1
1 771 . 17 1 1 A 65 65 THR CB C 65 69.000 69.045 -0.045 1
1 773 . 17 1 1 A 65 65 THR N N 65 113.400 115.251 -1.851 1
1 774 . 17 1 1 A 66 66 THR H H 66 7.940 8.238 -0.298 1
1 775 . 17 1 1 A 66 66 THR HA H 66 3.820 4.077 -0.257 1
1 780 . 17 1 1 A 66 66 THR C C 66 176.100 176.731 -0.631 1
1 781 . 17 1 1 A 66 66 THR CA C 66 67.000 65.779 1.221 1
1 782 . 17 1 1 A 66 66 THR CB C 66 68.000 67.737 0.263 1
1 784 . 17 1 1 A 66 66 THR N N 66 116.200 114.123 2.077 1
1 785 . 17 1 1 A 67 67 PHE H H 67 8.720 8.240 0.480 1
1 786 . 17 1 1 A 67 67 PHE HA H 67 4.130 4.085 0.045 1
1 793 . 17 1 1 A 67 67 PHE C C 67 176.900 177.297 -0.397 1
1 794 . 17 1 1 A 67 67 PHE CA C 67 61.500 61.209 0.291 1
1 795 . 17 1 1 A 67 67 PHE CB C 67 39.800 39.069 0.731 1
1 800 . 17 1 1 A 67 67 PHE N N 67 122.400 123.575 -1.175 1
1 801 . 17 1 1 A 68 68 ARG H H 68 7.750 7.803 -0.053 1
1 802 . 17 1 1 A 68 68 ARG HA H 68 3.790 4.344 -0.554 1
1 809 . 17 1 1 A 68 68 ARG C C 68 176.800 178.366 -1.566 1
1 810 . 17 1 1 A 68 68 ARG CA C 68 59.200 58.069 1.131 1
1 811 . 17 1 1 A 68 68 ARG CB C 68 30.200 29.924 0.276 1
1 814 . 17 1 1 A 68 68 ARG N N 68 114.400 117.703 -3.303 1
1 815 . 17 1 1 A 69 69 LYS H H 69 7.360 7.588 -0.228 1
1 816 . 17 1 1 A 69 69 LYS HA H 69 4.190 4.024 0.166 1
1 819 . 17 1 1 A 69 69 LYS C C 69 177.400 176.483 0.917 1
1 820 . 17 1 1 A 69 69 LYS CA C 69 56.700 58.915 -2.215 1
1 821 . 17 1 1 A 69 69 LYS CB C 69 33.000 32.423 0.577 1
1 825 . 17 1 1 A 69 69 LYS N N 69 115.600 119.667 -4.067 1
1 826 . 17 1 1 A 70 70 LEU H H 70 7.440 7.581 -0.141 1
1 827 . 17 1 1 A 70 70 LEU HA H 70 4.350 4.419 -0.069 1
1 830 . 17 1 1 A 70 70 LEU CA C 70 53.800 52.516 1.284 1
1 831 . 17 1 1 A 70 70 LEU CB C 70 41.000 41.519 -0.519 1
1 832 . 17 1 1 A 70 70 LEU N N 70 121.400 120.571 0.829 1
1 833 . 17 1 1 A 71 71 PRO HA H 71 4.460 4.525 -0.065 1
1 840 . 17 1 1 A 71 71 PRO C C 71 177.500 176.558 0.942 1
1 841 . 17 1 1 A 71 71 PRO CA C 71 62.800 62.267 0.533 1
1 842 . 17 1 1 A 71 71 PRO CB C 71 32.600 33.357 -0.757 1
1 845 . 17 1 1 A 72 72 GLU H H 72 9.010 8.632 0.378 1
1 846 . 17 1 1 A 72 72 GLU HA H 72 3.650 4.003 -0.353 1
1 851 . 17 1 1 A 72 72 GLU C C 72 177.600 178.750 -1.150 1
1 852 . 17 1 1 A 72 72 GLU CA C 72 60.500 59.604 0.896 1
1 853 . 17 1 1 A 72 72 GLU CB C 72 29.900 29.210 0.690 1
1 855 . 17 1 1 A 72 72 GLU N N 72 124.100 120.387 3.713 1
1 856 . 17 1 1 A 73 73 ASP H H 73 8.860 8.070 0.790 1
1 857 . 17 1 1 A 73 73 ASP HA H 73 4.290 4.419 -0.129 1
1 860 . 17 1 1 A 73 73 ASP C C 73 177.600 178.737 -1.137 1
1 861 . 17 1 1 A 73 73 ASP CA C 73 56.700 57.216 -0.516 1
1 862 . 17 1 1 A 73 73 ASP CB C 73 39.300 40.898 -1.598 1
1 863 . 17 1 1 A 73 73 ASP N N 73 116.200 120.209 -4.009 1
1 864 . 17 1 1 A 74 74 VAL H H 74 7.120 8.149 -1.029 1
1 865 . 17 1 1 A 74 74 VAL HA H 74 3.740 3.469 0.271 1
1 873 . 17 1 1 A 74 74 VAL C C 74 178.200 177.981 0.219 1
1 874 . 17 1 1 A 74 74 VAL CA C 74 65.000 67.028 -2.028 1
1 875 . 17 1 1 A 74 74 VAL CB C 74 32.100 31.244 0.856 1
1 878 . 17 1 1 A 74 74 VAL N N 74 120.400 120.042 0.358 1
1 879 . 17 1 1 A 75 75 ARG H H 75 7.700 7.691 0.009 1
1 880 . 17 1 1 A 75 75 ARG HA H 75 3.790 3.980 -0.190 1
1 887 . 17 1 1 A 75 75 ARG C C 75 178.500 177.708 0.792 1
1 888 . 17 1 1 A 75 75 ARG CA C 75 59.600 59.055 0.545 1
1 889 . 17 1 1 A 75 75 ARG CB C 75 31.100 29.672 1.428 1
1 892 . 17 1 1 A 75 75 ARG N N 75 115.900 119.330 -3.430 1
1 893 . 17 1 1 A 76 76 SER H H 76 8.260 7.907 0.353 1
1 894 . 17 1 1 A 76 76 SER HA H 76 4.380 4.378 0.002 1
1 897 . 17 1 1 A 76 76 SER C C 76 174.700 175.627 -0.927 1
1 898 . 17 1 1 A 76 76 SER CA C 76 60.500 60.810 -0.310 1
1 899 . 17 1 1 A 76 76 SER CB C 76 63.500 63.237 0.263 1
1 900 . 17 1 1 A 76 76 SER N N 76 111.800 115.536 -3.736 1
1 901 . 17 1 1 A 77 77 ASN H H 77 7.380 7.886 -0.506 1
1 902 . 17 1 1 A 77 77 ASN HA H 77 5.010 4.895 0.115 1
1 907 . 17 1 1 A 77 77 ASN C C 77 174.300 174.734 -0.434 1
1 908 . 17 1 1 A 77 77 ASN CA C 77 52.600 52.925 -0.325 1
1 909 . 17 1 1 A 77 77 ASN CB C 77 39.800 38.618 1.182 1
1 910 . 17 1 1 A 77 77 ASN N N 77 118.000 116.921 1.079 1
1 912 . 17 1 1 A 78 78 VAL H H 78 7.300 7.404 -0.104 1
1 913 . 17 1 1 A 78 78 VAL HA H 78 3.850 3.919 -0.069 1
1 921 . 17 1 1 A 78 78 VAL C C 78 173.200 175.105 -1.905 1
1 922 . 17 1 1 A 78 78 VAL CA C 78 63.600 62.277 1.323 1
1 923 . 17 1 1 A 78 78 VAL CB C 78 32.100 32.492 -0.392 1
1 926 . 17 1 1 A 78 78 VAL N N 78 121.200 120.717 0.483 1
1 927 . 17 1 1 A 79 79 ASP H H 79 7.660 8.418 -0.758 1
1 928 . 17 1 1 A 79 79 ASP HA H 79 4.380 4.906 -0.526 1
1 931 . 17 1 1 A 79 79 ASP C C 79 173.700 176.010 -2.310 1
1 932 . 17 1 1 A 79 79 ASP CA C 79 51.500 51.998 -0.498 1
1 933 . 17 1 1 A 79 79 ASP CB C 79 41.800 43.495 -1.695 1
1 934 . 17 1 1 A 79 79 ASP N N 79 127.000 127.263 -0.263 1
1 935 . 17 1 1 A 80 80 ALA H H 80 8.110 8.690 -0.580 1
1 936 . 17 1 1 A 80 80 ALA HA H 80 2.420 3.755 -1.335 1
1 940 . 17 1 1 A 80 80 ALA C C 80 178.700 179.843 -1.143 1
1 941 . 17 1 1 A 80 80 ALA CA C 80 55.600 55.323 0.277 1
1 942 . 17 1 1 A 80 80 ALA CB C 80 18.600 18.422 0.178 1
1 943 . 17 1 1 A 80 80 ALA N N 80 119.900 122.193 -2.293 1
1 944 . 17 1 1 A 81 81 ALA H H 81 7.760 8.171 -0.411 1
1 945 . 17 1 1 A 81 81 ALA HA H 81 4.030 3.927 0.103 1
1 949 . 17 1 1 A 81 81 ALA C C 81 180.700 179.794 0.906 1
1 950 . 17 1 1 A 81 81 ALA CA C 81 54.800 55.248 -0.448 1
1 951 . 17 1 1 A 81 81 ALA CB C 81 18.300 18.686 -0.386 1
1 952 . 17 1 1 A 81 81 ALA N N 81 118.500 120.298 -1.798 1
1 953 . 17 1 1 A 82 82 SER H H 82 8.480 8.085 0.395 1
1 954 . 17 1 1 A 82 82 SER HA H 82 4.240 4.050 0.190 1
1 957 . 17 1 1 A 82 82 SER C C 82 177.200 176.228 0.972 1
1 958 . 17 1 1 A 82 82 SER CA C 82 60.300 61.409 -1.109 1
1 959 . 17 1 1 A 82 82 SER CB C 82 62.700 62.923 -0.223 1
1 960 . 17 1 1 A 82 82 SER N N 82 115.300 112.889 2.411 1
1 961 . 17 1 1 A 83 83 ALA H H 83 8.970 8.061 0.909 1
1 962 . 17 1 1 A 83 83 ALA HA H 83 3.820 3.771 0.049 1
1 966 . 17 1 1 A 83 83 ALA C C 83 178.600 179.685 -1.085 1
1 967 . 17 1 1 A 83 83 ALA CA C 83 55.600 55.088 0.512 1
1 968 . 17 1 1 A 83 83 ALA CB C 83 19.400 17.701 1.699 1
1 969 . 17 1 1 A 83 83 ALA N N 83 124.700 123.238 1.462 1
1 970 . 17 1 1 A 84 84 ARG H H 84 7.250 8.108 -0.858 1
1 971 . 17 1 1 A 84 84 ARG HA H 84 3.740 4.085 -0.345 1
1 978 . 17 1 1 A 84 84 ARG C C 84 176.600 179.034 -2.434 1
1 979 . 17 1 1 A 84 84 ARG CA C 84 60.100 59.784 0.316 1
1 980 . 17 1 1 A 84 84 ARG CB C 84 29.900 29.753 0.147 1
1 983 . 17 1 1 A 84 84 ARG N N 84 116.500 117.398 -0.898 1
1 984 . 17 1 1 A 85 85 GLU H H 85 7.240 8.077 -0.837 1
1 985 . 17 1 1 A 85 85 GLU HA H 85 3.890 4.033 -0.143 1
1 990 . 17 1 1 A 85 85 GLU C C 85 179.800 179.594 0.206 1
1 991 . 17 1 1 A 85 85 GLU CA C 85 59.200 58.637 0.563 1
1 992 . 17 1 1 A 85 85 GLU CB C 85 29.300 29.527 -0.227 1
1 994 . 17 1 1 A 85 85 GLU N N 85 115.600 120.386 -4.786 1
1 995 . 17 1 1 A 86 86 LEU H H 86 8.620 8.429 0.191 1
1 996 . 17 1 1 A 86 86 LEU HA H 86 4.030 3.987 0.043 1
1 1006 . 17 1 1 A 86 86 LEU C C 86 178.600 178.838 -0.238 1
1 1007 . 17 1 1 A 86 86 LEU CA C 86 58.100 57.821 0.279 1
1 1008 . 17 1 1 A 86 86 LEU CB C 86 42.200 41.921 0.279 1
1 1012 . 17 1 1 A 86 86 LEU N N 86 120.800 120.597 0.203 1
1 1013 . 17 1 1 A 87 87 MET H H 87 7.840 8.252 -0.412 1
1 1014 . 17 1 1 A 87 87 MET HA H 87 3.680 4.173 -0.493 1
1 1022 . 17 1 1 A 87 87 MET C C 87 175.600 178.397 -2.797 1
1 1023 . 17 1 1 A 87 87 MET CA C 87 60.000 58.661 1.339 1
1 1024 . 17 1 1 A 87 87 MET CB C 87 34.300 32.144 2.156 1
1 1027 . 17 1 1 A 87 87 MET N N 87 116.700 116.063 0.637 1
1 1028 . 17 1 1 A 88 88 LEU H H 88 7.490 8.166 -0.676 1
1 1029 . 17 1 1 A 88 88 LEU HA H 88 3.890 4.027 -0.137 1
1 1039 . 17 1 1 A 88 88 LEU C C 88 179.200 178.142 1.058 1
1 1040 . 17 1 1 A 88 88 LEU CA C 88 57.000 58.269 -1.269 1
1 1041 . 17 1 1 A 88 88 LEU CB C 88 41.800 42.080 -0.280 1
1 1045 . 17 1 1 A 88 88 LEU N N 88 113.400 122.059 -8.659 1
1 1046 . 17 1 1 A 89 89 ALA H H 89 7.690 7.920 -0.230 1
1 1047 . 17 1 1 A 89 89 ALA HA H 89 4.210 4.153 0.057 1
1 1051 . 17 1 1 A 89 89 ALA C C 89 179.100 177.688 1.412 1
1 1052 . 17 1 1 A 89 89 ALA CA C 89 54.100 53.916 0.184 1
1 1053 . 17 1 1 A 89 89 ALA CB C 89 19.200 18.528 0.672 1
1 1054 . 17 1 1 A 89 89 ALA N N 89 119.100 120.032 -0.932 1
1 1055 . 17 1 1 A 90 90 GLN H H 90 8.100 7.785 0.315 1
1 1062 . 17 1 1 A 90 90 GLN CA C 90 53.400 53.457 -0.057 1
1 1063 . 17 1 1 A 90 90 GLN CB C 90 30.900 29.305 1.595 1
1 1064 . 17 1 1 A 90 90 GLN N N 90 115.100 116.881 -1.781 1
1 1066 . 17 1 1 A 91 91 PRO HA H 91 4.530 4.527 0.003 1
1 1073 . 17 1 1 A 91 91 PRO C C 91 178.300 177.383 0.917 1
1 1074 . 17 1 1 A 91 91 PRO CA C 91 64.300 64.099 0.201 1
1 1075 . 17 1 1 A 91 91 PRO CB C 91 31.800 31.680 0.120 1
1 1078 . 17 1 1 A 92 92 SER H H 92 8.510 8.232 0.278 1
1 1079 . 17 1 1 A 92 92 SER HA H 92 4.310 4.233 0.077 1
1 1082 . 17 1 1 A 92 92 SER C C 92 174.200 176.186 -1.986 1
1 1083 . 17 1 1 A 92 92 SER CA C 92 62.000 61.004 0.996 1
1 1084 . 17 1 1 A 92 92 SER CB C 92 62.500 62.542 -0.042 1
1 1085 . 17 1 1 A 92 92 SER N N 92 115.000 114.063 0.937 1
1 1086 . 17 1 1 A 93 93 MET H H 93 8.790 7.498 1.292 1
1 1087 . 17 1 1 A 93 93 MET HA H 93 4.560 4.614 -0.054 1
1 1092 . 17 1 1 A 93 93 MET C C 93 174.900 176.534 -1.634 1
1 1093 . 17 1 1 A 93 93 MET CA C 93 56.900 56.633 0.267 1
1 1094 . 17 1 1 A 93 93 MET CB C 93 35.000 33.065 1.935 1
1 1096 . 17 1 1 A 93 93 MET N N 93 118.400 118.608 -0.208 1
1 1097 . 17 1 1 A 94 94 VAL H H 94 7.540 7.654 -0.114 1
1 1098 . 17 1 1 A 94 94 VAL HA H 94 4.080 4.167 -0.087 1
1 1106 . 17 1 1 A 94 94 VAL C C 94 178.000 176.063 1.937 1
1 1107 . 17 1 1 A 94 94 VAL CA C 94 63.100 63.001 0.099 1
1 1108 . 17 1 1 A 94 94 VAL CB C 94 31.700 31.690 0.010 1
1 1111 . 17 1 1 A 94 94 VAL N N 94 121.000 121.248 -0.248 1
1 1112 . 17 1 1 A 95 95 LYS H H 95 9.550 8.439 1.111 1
1 1113 . 17 1 1 A 95 95 LYS HA H 95 3.940 4.287 -0.347 1
1 1116 . 17 1 1 A 95 95 LYS CA C 95 58.800 57.010 1.790 1
1 1117 . 17 1 1 A 95 95 LYS CB C 95 33.500 33.431 0.069 1
1 1121 . 17 1 1 A 95 95 LYS N N 95 131.200 126.174 5.026 1
1 1122 . 17 1 1 A 96 96 ARG H H 96 8.260 8.833 -0.573 1
1 1125 . 17 1 1 A 96 96 ARG CA C 96 52.700 54.699 -1.999 1
1 1126 . 17 1 1 A 96 96 ARG CB C 96 34.400 32.679 1.721 1
1 1127 . 17 1 1 A 96 96 ARG N N 96 117.100 121.445 -4.345 1
1 1134 . 17 1 1 A 97 97 PRO C C 97 176.600 175.358 1.242 1
1 1135 . 17 1 1 A 97 97 PRO CA C 97 62.400 62.541 -0.141 1
1 1136 . 17 1 1 A 97 97 PRO CB C 97 34.700 33.188 1.512 1
1 1139 . 17 1 1 A 98 98 VAL H H 98 7.540 8.071 -0.531 1
1 1140 . 17 1 1 A 98 98 VAL HA H 98 4.460 4.869 -0.409 1
1 1148 . 17 1 1 A 98 98 VAL C C 98 173.500 174.845 -1.345 1
1 1149 . 17 1 1 A 98 98 VAL CA C 98 64.000 60.556 3.444 1
1 1150 . 17 1 1 A 98 98 VAL CB C 98 33.600 35.526 -1.926 1
1 1153 . 17 1 1 A 98 98 VAL N N 98 117.800 119.973 -2.173 1
1 1154 . 17 1 1 A 99 99 LEU H H 99 9.030 9.253 -0.223 1
1 1155 . 17 1 1 A 99 99 LEU HA H 99 5.410 5.251 0.159 1
1 1165 . 17 1 1 A 99 99 LEU C C 99 173.800 174.993 -1.193 1
1 1166 . 17 1 1 A 99 99 LEU CA C 99 54.300 52.672 1.628 1
1 1167 . 17 1 1 A 99 99 LEU CB C 99 45.800 43.175 2.625 1
1 1171 . 17 1 1 A 99 99 LEU N N 99 131.400 127.056 4.344 1
1 1172 . 17 1 1 A 100 100 GLU H H 100 9.390 9.362 0.028 1
1 1173 . 17 1 1 A 100 100 GLU HA H 100 5.050 5.381 -0.331 1
1 1178 . 17 1 1 A 100 100 GLU C C 100 174.200 175.099 -0.899 1
1 1179 . 17 1 1 A 100 100 GLU CA C 100 55.300 55.306 -0.006 1
1 1180 . 17 1 1 A 100 100 GLU CB C 100 35.600 32.265 3.335 1
1 1182 . 17 1 1 A 100 100 GLU N N 100 125.800 126.175 -0.375 1
1 1183 . 17 1 1 A 101 101 ARG H H 101 7.610 8.628 -1.018 1
1 1184 . 17 1 1 A 101 101 ARG C C 101 175.900 175.036 0.864 1
1 1185 . 17 1 1 A 101 101 ARG CA C 101 56.700 55.274 1.426 1
1 1186 . 17 1 1 A 101 101 ARG CB C 101 32.500 32.631 -0.131 1
1 1189 . 17 1 1 A 101 101 ARG N N 101 125.100 123.166 1.934 1
1 1190 . 17 1 1 A 102 102 ASP H H 102 10.080 9.617 0.463 1
1 1191 . 17 1 1 A 102 102 ASP HA H 102 4.450 4.282 0.168 1
1 1194 . 17 1 1 A 102 102 ASP C C 102 175.700 175.524 0.176 1
1 1195 . 17 1 1 A 102 102 ASP CA C 102 55.300 55.072 0.228 1
1 1196 . 17 1 1 A 102 102 ASP CB C 102 40.500 39.667 0.833 1
1 1197 . 17 1 1 A 102 102 ASP N N 102 132.000 120.147 11.853 1
1 1198 . 17 1 1 A 103 103 GLY H H 103 8.870 8.683 0.187 1
1 1199 . 17 1 1 A 103 103 GLY HA2 H 103 4.120 3.865 0.255 1
1 1200 . 17 1 1 A 103 103 GLY HA3 H 103 3.830 3.875 -0.045 1
1 1201 . 17 1 1 A 103 103 GLY C C 103 174.000 173.833 0.167 1
1 1202 . 17 1 1 A 103 103 GLY CA C 103 45.600 45.841 -0.241 1
1 1203 . 17 1 1 A 103 103 GLY N N 103 102.900 104.265 -1.365 1
1 1204 . 17 1 1 A 104 104 LYS H H 104 8.130 8.053 0.077 1
1 1205 . 17 1 1 A 104 104 LYS HA H 104 4.650 4.728 -0.078 1
1 1208 . 17 1 1 A 104 104 LYS C C 104 176.500 174.354 2.146 1
1 1209 . 17 1 1 A 104 104 LYS CA C 104 55.500 54.975 0.525 1
1 1210 . 17 1 1 A 104 104 LYS CB C 104 32.600 35.035 -2.435 1
1 1214 . 17 1 1 A 104 104 LYS N N 104 122.400 120.992 1.408 1
1 1215 . 17 1 1 A 105 105 LEU H H 105 8.920 8.788 0.132 1
1 1216 . 17 1 1 A 105 105 LEU HA H 105 5.420 5.001 0.419 1
1 1226 . 17 1 1 A 105 105 LEU C C 105 177.200 174.736 2.464 1
1 1227 . 17 1 1 A 105 105 LEU CA C 105 54.300 53.761 0.539 1
1 1228 . 17 1 1 A 105 105 LEU CB C 105 45.400 44.451 0.949 1
1 1232 . 17 1 1 A 105 105 LEU N N 105 129.200 128.798 0.402 1
1 1233 . 17 1 1 A 106 106 MET H H 106 8.860 9.324 -0.464 1
1 1234 . 17 1 1 A 106 106 MET HA H 106 4.580 5.135 -0.555 1
1 1239 . 17 1 1 A 106 106 MET C C 106 174.500 175.253 -0.753 1
1 1240 . 17 1 1 A 106 106 MET CA C 106 55.300 53.873 1.427 1
1 1241 . 17 1 1 A 106 106 MET CB C 106 36.500 35.942 0.558 1
1 1243 . 17 1 1 A 106 106 MET N N 106 121.500 126.846 -5.346 1
1 1244 . 17 1 1 A 107 107 VAL H H 107 9.180 8.614 0.566 1
1 1245 . 17 1 1 A 107 107 VAL HA H 107 4.690 4.580 0.110 1
1 1253 . 17 1 1 A 107 107 VAL C C 107 176.200 176.263 -0.063 1
1 1254 . 17 1 1 A 107 107 VAL CA C 107 61.400 61.337 0.063 1
1 1255 . 17 1 1 A 107 107 VAL CB C 107 33.400 33.128 0.272 1
1 1258 . 17 1 1 A 107 107 VAL N N 107 129.500 121.593 7.907 1
1 1259 . 17 1 1 A 108 108 GLY H H 108 8.730 8.737 -0.007 1
1 1260 . 17 1 1 A 108 108 GLY HA2 H 108 4.430 3.926 0.504 1
1 1261 . 17 1 1 A 108 108 GLY HA3 H 108 3.850 3.951 -0.101 1
1 1262 . 17 1 1 A 108 108 GLY CA C 108 43.800 45.776 -1.976 1
1 1263 . 17 1 1 A 108 108 GLY N N 108 113.600 110.306 3.294 1
1 1271 . 17 1 1 A 109 109 PHE C C 109 172.700 175.447 -2.747 1
1 1272 . 17 1 1 A 109 109 PHE CA C 109 58.900 57.008 1.892 1
1 1273 . 17 1 1 A 109 109 PHE CB C 109 42.100 40.774 1.326 1
1 1279 . 17 1 1 A 110 110 LYS H H 110 6.510 7.994 -1.484 1
1 1282 . 17 1 1 A 110 110 LYS CA C 110 53.500 55.019 -1.519 1
1 1283 . 17 1 1 A 110 110 LYS CB C 110 34.800 31.706 3.094 1
1 1284 . 17 1 1 A 110 110 LYS N N 110 126.600 123.222 3.378 1
1 1285 . 17 1 1 A 111 111 PRO HA H 111 3.360 4.138 -0.778 1
1 1292 . 17 1 1 A 111 111 PRO C C 111 177.100 178.627 -1.527 1
1 1293 . 17 1 1 A 111 111 PRO CA C 111 66.600 65.701 0.899 1
1 1294 . 17 1 1 A 111 111 PRO CB C 111 31.700 31.753 -0.053 1
1 1297 . 17 1 1 A 112 112 ALA H H 112 8.450 8.259 0.191 1
1 1298 . 17 1 1 A 112 112 ALA HA H 112 4.140 4.092 0.048 1
1 1302 . 17 1 1 A 112 112 ALA C C 112 180.300 180.621 -0.321 1
1 1303 . 17 1 1 A 112 112 ALA CA C 112 54.900 55.320 -0.420 1
1 1304 . 17 1 1 A 112 112 ALA CB C 112 18.800 18.458 0.342 1
1 1305 . 17 1 1 A 112 112 ALA N N 112 116.200 118.681 -2.481 1
1 1306 . 17 1 1 A 113 113 GLN H H 113 6.880 7.655 -0.775 1
1 1307 . 17 1 1 A 113 113 GLN HA H 113 4.130 4.124 0.006 1
1 1314 . 17 1 1 A 113 113 GLN C C 113 178.400 178.380 0.020 1
1 1315 . 17 1 1 A 113 113 GLN CA C 113 60.100 58.988 1.112 1
1 1316 . 17 1 1 A 113 113 GLN CB C 113 29.100 28.692 0.408 1
1 1318 . 17 1 1 A 113 113 GLN N N 113 118.200 117.709 0.491 1
1 1320 . 17 1 1 A 114 114 TYR H H 114 7.600 8.292 -0.692 1
1 1321 . 17 1 1 A 114 114 TYR HA H 114 3.800 4.333 -0.533 1
1 1328 . 17 1 1 A 114 114 TYR C C 114 177.100 178.324 -1.224 1
1 1329 . 17 1 1 A 114 114 TYR CA C 114 61.700 61.472 0.228 1
1 1330 . 17 1 1 A 114 114 TYR CB C 114 33.200 38.467 -5.267 1
1 1335 . 17 1 1 A 114 114 TYR N N 114 124.900 121.379 3.521 1
1 1336 . 17 1 1 A 115 115 GLU H H 115 8.610 8.523 0.087 1
1 1337 . 17 1 1 A 115 115 GLU HA H 115 4.160 4.343 -0.183 1
1 1342 . 17 1 1 A 115 115 GLU C C 115 178.800 179.476 -0.676 1
1 1343 . 17 1 1 A 115 115 GLU CA C 115 60.100 59.773 0.327 1
1 1344 . 17 1 1 A 115 115 GLU CB C 115 30.000 30.048 -0.048 1
1 1346 . 17 1 1 A 115 115 GLU N N 115 119.300 118.832 0.468 1
1 1347 . 17 1 1 A 116 116 ALA H H 116 7.390 8.073 -0.683 1
1 1348 . 17 1 1 A 116 116 ALA HA H 116 4.210 4.208 0.002 1
1 1352 . 17 1 1 A 116 116 ALA C C 116 179.700 179.565 0.135 1
1 1353 . 17 1 1 A 116 116 ALA CA C 116 54.600 54.958 -0.358 1
1 1354 . 17 1 1 A 116 116 ALA CB C 116 18.200 18.122 0.078 1
1 1355 . 17 1 1 A 116 116 ALA N N 116 118.200 122.415 -4.215 1
1 1356 . 17 1 1 A 117 117 TYR H H 117 7.780 8.184 -0.404 1
1 1357 . 17 1 1 A 117 117 TYR HA H 117 3.890 4.196 -0.306 1
1 1364 . 17 1 1 A 117 117 TYR C C 117 177.300 177.663 -0.363 1
1 1365 . 17 1 1 A 117 117 TYR CA C 117 61.100 61.716 -0.616 1
1 1366 . 17 1 1 A 117 117 TYR CB C 117 39.200 38.668 0.532 1
1 1371 . 17 1 1 A 117 117 TYR N N 117 120.200 119.896 0.304 1
1 1372 . 17 1 1 A 118 118 PHE H H 118 7.960 8.166 -0.206 1
1 1379 . 17 1 1 A 118 118 PHE C C 118 174.900 175.832 -0.932 1
1 1380 . 17 1 1 A 118 118 PHE CA C 118 57.850 61.728 -3.878 1
1 1381 . 17 1 1 A 118 118 PHE CB C 118 39.100 39.059 0.041 1
1 1386 . 17 1 1 A 118 118 PHE N N 118 113.100 119.544 -6.444 1
1 1387 . 17 1 1 A 119 119 LYS H H 119 7.670 7.686 -0.016 1
1 1388 . 17 1 1 A 119 119 LYS HA H 119 4.210 4.436 -0.226 1
1 1397 . 17 1 1 A 119 119 LYS CA C 119 57.300 56.302 0.998 1
1 1398 . 17 1 1 A 119 119 LYS CB C 119 31.200 33.547 -2.347 1
1 1402 . 17 1 1 A 119 119 LYS N N 119 120.200 118.629 1.571 1
1 1 . 18 1 1 A 2 2 PRO HA H 2 4.500 4.481 0.019 1
1 8 . 18 1 1 A 2 2 PRO C C 2 177.500 175.818 1.682 1
1 9 . 18 1 1 A 2 2 PRO CA C 2 63.500 62.639 0.861 1
1 10 . 18 1 1 A 2 2 PRO CB C 2 32.200 32.848 -0.648 1
1 13 . 18 1 1 A 3 3 GLY H H 3 8.113 8.459 -0.346 1
1 14 . 18 1 1 A 3 3 GLY HA2 H 3 4.060 3.963 0.097 1
1 15 . 18 1 1 A 3 3 GLY HA3 H 3 4.030 3.964 0.066 1
1 16 . 18 1 1 A 3 3 GLY CA C 3 45.300 46.755 -1.455 1
1 17 . 18 1 1 A 3 3 GLY N N 3 110.500 109.126 1.374 1
1 18 . 18 1 1 A 4 4 SER H H 4 8.280 8.841 -0.561 1
1 19 . 18 1 1 A 4 4 SER HA H 4 4.520 4.264 0.256 1
1 22 . 18 1 1 A 4 4 SER C C 4 178.100 175.066 3.034 1
1 23 . 18 1 1 A 4 4 SER CA C 4 58.600 62.406 -3.806 1
1 24 . 18 1 1 A 4 4 SER CB C 4 63.800 63.593 0.207 1
1 25 . 18 1 1 A 4 4 SER N N 4 115.900 120.280 -4.380 1
1 26 . 18 1 1 A 5 5 MET H H 5 8.680 7.722 0.958 1
1 27 . 18 1 1 A 5 5 MET HA H 5 4.700 4.890 -0.190 1
1 32 . 18 1 1 A 5 5 MET C C 5 174.800 174.998 -0.198 1
1 33 . 18 1 1 A 5 5 MET CA C 5 54.900 54.692 0.208 1
1 34 . 18 1 1 A 5 5 MET CB C 5 32.500 35.287 -2.787 1
1 36 . 18 1 1 A 5 5 MET N N 5 121.500 118.278 3.222 1
1 37 . 18 1 1 A 6 6 SER H H 6 8.220 8.966 -0.746 1
1 38 . 18 1 1 A 6 6 SER HA H 6 4.580 5.185 -0.605 1
1 41 . 18 1 1 A 6 6 SER C C 6 174.200 172.879 1.321 1
1 42 . 18 1 1 A 6 6 SER CA C 6 59.100 56.408 2.692 1
1 43 . 18 1 1 A 6 6 SER CB C 6 63.800 65.168 -1.368 1
1 44 . 18 1 1 A 6 6 SER N N 6 117.000 116.100 0.900 1
1 45 . 18 1 1 A 7 7 VAL H H 7 8.750 9.167 -0.417 1
1 46 . 18 1 1 A 7 7 VAL HA H 7 4.840 4.747 0.093 1
1 54 . 18 1 1 A 7 7 VAL C C 7 175.800 175.242 0.558 1
1 55 . 18 1 1 A 7 7 VAL CA C 7 61.800 61.356 0.444 1
1 56 . 18 1 1 A 7 7 VAL CB C 7 33.800 33.457 0.343 1
1 59 . 18 1 1 A 7 7 VAL N N 7 124.100 127.717 -3.617 1
1 60 . 18 1 1 A 8 8 THR H H 8 8.880 8.565 0.315 1
1 61 . 18 1 1 A 8 8 THR HA H 8 5.360 5.178 0.182 1
1 66 . 18 1 1 A 8 8 THR C C 8 172.500 172.736 -0.236 1
1 67 . 18 1 1 A 8 8 THR CA C 8 61.700 61.641 0.059 1
1 68 . 18 1 1 A 8 8 THR CB C 8 70.600 71.526 -0.926 1
1 70 . 18 1 1 A 8 8 THR N N 8 124.500 123.164 1.336 1
1 71 . 18 1 1 A 9 9 ILE H H 9 9.170 9.179 -0.009 1
1 72 . 18 1 1 A 9 9 ILE HA H 9 5.610 5.684 -0.074 1
1 82 . 18 1 1 A 9 9 ILE C C 9 172.500 172.953 -0.453 1
1 83 . 18 1 1 A 9 9 ILE CA C 9 58.300 58.691 -0.391 1
1 84 . 18 1 1 A 9 9 ILE CB C 9 42.400 41.558 0.842 1
1 88 . 18 1 1 A 9 9 ILE N N 9 123.900 128.595 -4.695 1
1 89 . 18 1 1 A 10 10 TYR H H 10 9.740 9.510 0.230 1
1 90 . 18 1 1 A 10 10 TYR HA H 10 5.410 5.897 -0.487 1
1 95 . 18 1 1 A 10 10 TYR C C 10 177.500 176.220 1.280 1
1 96 . 18 1 1 A 10 10 TYR CA C 10 56.500 55.931 0.569 1
1 97 . 18 1 1 A 10 10 TYR CB C 10 40.300 40.813 -0.513 1
1 100 . 18 1 1 A 10 10 TYR N N 10 125.300 127.962 -2.662 1
1 101 . 18 1 1 A 11 11 GLY H H 11 7.880 8.740 -0.860 1
1 102 . 18 1 1 A 11 11 GLY HA2 H 11 4.700 4.479 0.221 1
1 103 . 18 1 1 A 11 11 GLY HA3 H 11 4.700 4.555 0.145 1
1 104 . 18 1 1 A 11 11 GLY C C 11 170.000 172.815 -2.815 1
1 105 . 18 1 1 A 11 11 GLY CA C 11 46.700 45.561 1.139 1
1 106 . 18 1 1 A 11 11 GLY N N 11 108.600 110.075 -1.475 1
1 107 . 18 1 1 A 12 12 ILE H H 12 6.340 8.672 -2.332 1
1 108 . 18 1 1 A 12 12 ILE HA H 12 5.330 5.251 0.079 1
1 118 . 18 1 1 A 12 12 ILE C C 12 175.100 175.959 -0.859 1
1 119 . 18 1 1 A 12 12 ILE CA C 12 59.300 58.866 0.434 1
1 120 . 18 1 1 A 12 12 ILE CB C 12 41.000 41.491 -0.491 1
1 124 . 18 1 1 A 12 12 ILE N N 12 113.300 117.612 -4.312 1
1 125 . 18 1 1 A 13 13 LYS H H 13 9.450 8.913 0.537 1
1 126 . 18 1 1 A 13 13 LYS HA H 13 4.090 4.559 -0.469 1
1 129 . 18 1 1 A 13 13 LYS C C 13 177.800 176.974 0.826 1
1 130 . 18 1 1 A 13 13 LYS CA C 13 59.200 56.850 2.350 1
1 131 . 18 1 1 A 13 13 LYS CB C 13 33.600 33.285 0.315 1
1 133 . 18 1 1 A 13 13 LYS N N 13 120.900 120.327 0.573 1
1 134 . 18 1 1 A 14 14 ASN H H 14 8.700 7.758 0.942 1
1 135 . 18 1 1 A 14 14 ASN HA H 14 4.690 4.877 -0.187 1
1 140 . 18 1 1 A 14 14 ASN C C 14 173.100 173.874 -0.774 1
1 141 . 18 1 1 A 14 14 ASN CA C 14 52.700 52.587 0.113 1
1 142 . 18 1 1 A 14 14 ASN CB C 14 36.300 36.678 -0.378 1
1 143 . 18 1 1 A 14 14 ASN N N 14 116.600 115.637 0.963 1
1 145 . 18 1 1 A 15 15 CYS H H 15 7.440 7.569 -0.129 1
1 146 . 18 1 1 A 15 15 CYS HA H 15 4.510 4.925 -0.415 1
1 149 . 18 1 1 A 15 15 CYS CA C 15 59.100 57.993 1.107 1
1 150 . 18 1 1 A 15 15 CYS CB C 15 30.800 30.971 -0.171 1
1 151 . 18 1 1 A 15 15 CYS N N 15 124.400 121.832 2.568 1
1 152 . 18 1 1 A 16 16 ASP HA H 16 4.460 4.530 -0.070 1
1 155 . 18 1 1 A 16 16 ASP C C 16 178.000 178.320 -0.320 1
1 156 . 18 1 1 A 16 16 ASP CA C 16 57.500 56.581 0.919 1
1 157 . 18 1 1 A 16 16 ASP CB C 16 41.400 40.993 0.407 1
1 158 . 18 1 1 A 17 17 THR H H 17 9.210 7.989 1.221 1
1 159 . 18 1 1 A 17 17 THR HA H 17 4.000 3.833 0.167 1
1 164 . 18 1 1 A 17 17 THR C C 17 176.000 176.673 -0.673 1
1 165 . 18 1 1 A 17 17 THR CA C 17 67.400 67.335 0.065 1
1 166 . 18 1 1 A 17 17 THR CB C 17 68.200 68.510 -0.310 1
1 168 . 18 1 1 A 17 17 THR N N 17 122.200 116.670 5.530 1
1 169 . 18 1 1 A 18 18 MET H H 18 8.940 8.154 0.786 1
1 170 . 18 1 1 A 18 18 MET HA H 18 3.990 4.018 -0.028 1
1 176 . 18 1 1 A 18 18 MET C C 18 178.300 178.571 -0.271 1
1 177 . 18 1 1 A 18 18 MET CA C 18 56.000 58.854 -2.854 1
1 178 . 18 1 1 A 18 18 MET CB C 18 31.400 31.902 -0.502 1
1 181 . 18 1 1 A 18 18 MET N N 18 125.300 118.150 7.150 1
1 182 . 18 1 1 A 19 19 LYS H H 19 8.080 8.123 -0.043 1
1 183 . 18 1 1 A 19 19 LYS HA H 19 3.800 3.966 -0.166 1
1 186 . 18 1 1 A 19 19 LYS CA C 19 60.000 59.500 0.500 1
1 187 . 18 1 1 A 19 19 LYS CB C 19 32.500 32.101 0.399 1
1 191 . 18 1 1 A 19 19 LYS N N 19 117.900 121.008 -3.108 1
1 192 . 18 1 1 A 20 20 LYS H H 20 7.510 7.572 -0.062 1
1 193 . 18 1 1 A 20 20 LYS HA H 20 3.790 4.082 -0.292 1
1 198 . 18 1 1 A 20 20 LYS C C 20 178.500 179.134 -0.634 1
1 199 . 18 1 1 A 20 20 LYS CA C 20 59.500 59.727 -0.227 1
1 200 . 18 1 1 A 20 20 LYS CB C 20 32.800 32.485 0.315 1
1 204 . 18 1 1 A 20 20 LYS N N 20 117.500 118.945 -1.445 1
1 205 . 18 1 1 A 21 21 ALA H H 21 7.730 8.216 -0.486 1
1 206 . 18 1 1 A 21 21 ALA HA H 21 2.540 4.044 -1.504 1
1 210 . 18 1 1 A 21 21 ALA C C 21 178.700 179.781 -1.081 1
1 211 . 18 1 1 A 21 21 ALA CA C 21 54.400 55.168 -0.768 1
1 212 . 18 1 1 A 21 21 ALA CB C 21 19.000 18.233 0.767 1
1 213 . 18 1 1 A 21 21 ALA N N 21 123.600 122.200 1.400 1
1 214 . 18 1 1 A 22 22 ARG H H 22 8.110 8.056 0.054 1
1 215 . 18 1 1 A 22 22 ARG HA H 22 3.490 4.366 -0.876 1
1 222 . 18 1 1 A 22 22 ARG C C 22 178.200 178.616 -0.416 1
1 223 . 18 1 1 A 22 22 ARG CA C 22 60.500 59.519 0.981 1
1 224 . 18 1 1 A 22 22 ARG CB C 22 30.700 29.840 0.860 1
1 227 . 18 1 1 A 22 22 ARG N N 22 116.100 118.167 -2.067 1
1 228 . 18 1 1 A 23 23 ILE H H 23 7.860 8.264 -0.404 1
1 229 . 18 1 1 A 23 23 ILE HA H 23 3.710 3.797 -0.087 1
1 239 . 18 1 1 A 23 23 ILE C C 23 177.200 178.506 -1.306 1
1 240 . 18 1 1 A 23 23 ILE CA C 23 65.000 65.009 -0.009 1
1 241 . 18 1 1 A 23 23 ILE CB C 23 38.000 37.472 0.528 1
1 245 . 18 1 1 A 23 23 ILE N N 23 119.400 118.850 0.550 1
1 246 . 18 1 1 A 24 24 TRP H H 24 7.880 8.148 -0.268 1
1 247 . 18 1 1 A 24 24 TRP HA H 24 4.270 4.409 -0.139 1
1 256 . 18 1 1 A 24 24 TRP C C 24 176.100 178.503 -2.403 1
1 257 . 18 1 1 A 24 24 TRP CA C 24 63.100 61.077 2.023 1
1 258 . 18 1 1 A 24 24 TRP CB C 24 30.200 29.794 0.406 1
1 264 . 18 1 1 A 24 24 TRP N N 24 121.000 122.340 -1.340 1
1 266 . 18 1 1 A 25 25 LEU H H 25 8.690 8.856 -0.166 1
1 267 . 18 1 1 A 25 25 LEU HA H 25 4.000 4.088 -0.088 1
1 277 . 18 1 1 A 25 25 LEU C C 25 178.600 179.429 -0.829 1
1 278 . 18 1 1 A 25 25 LEU CA C 25 59.700 58.160 1.540 1
1 279 . 18 1 1 A 25 25 LEU CB C 25 41.200 41.238 -0.038 1
1 283 . 18 1 1 A 25 25 LEU N N 25 121.800 119.687 2.113 1
1 284 . 18 1 1 A 26 26 GLU H H 26 8.580 8.713 -0.133 1
1 285 . 18 1 1 A 26 26 GLU HA H 26 4.200 4.102 0.098 1
1 290 . 18 1 1 A 26 26 GLU C C 26 181.200 178.636 2.564 1
1 291 . 18 1 1 A 26 26 GLU CA C 26 59.500 59.502 -0.002 1
1 292 . 18 1 1 A 26 26 GLU CB C 26 28.800 29.117 -0.317 1
1 294 . 18 1 1 A 26 26 GLU N N 26 120.600 117.809 2.791 1
1 295 . 18 1 1 A 27 27 ASP H H 27 9.360 8.150 1.210 1
1 296 . 18 1 1 A 27 27 ASP HA H 27 4.270 4.370 -0.100 1
1 299 . 18 1 1 A 27 27 ASP C C 27 177.400 178.399 -0.999 1
1 300 . 18 1 1 A 27 27 ASP CA C 27 56.400 57.096 -0.696 1
1 301 . 18 1 1 A 27 27 ASP CB C 27 40.000 41.254 -1.254 1
1 302 . 18 1 1 A 27 27 ASP N N 27 121.800 120.747 1.053 1
1 303 . 18 1 1 A 28 28 HIS H H 28 7.340 7.906 -0.566 1
1 304 . 18 1 1 A 28 28 HIS HA H 28 4.250 4.400 -0.150 1
1 309 . 18 1 1 A 28 28 HIS C C 28 173.600 175.402 -1.802 1
1 310 . 18 1 1 A 28 28 HIS CA C 28 56.700 57.989 -1.289 1
1 311 . 18 1 1 A 28 28 HIS CB C 28 27.500 30.402 -2.902 1
1 314 . 18 1 1 A 28 28 HIS N N 28 113.400 118.903 -5.503 1
1 315 . 18 1 1 A 29 29 GLY H H 29 7.790 7.924 -0.134 1
1 316 . 18 1 1 A 29 29 GLY HA2 H 29 3.870 3.814 0.056 1
1 317 . 18 1 1 A 29 29 GLY HA3 H 29 3.870 3.867 0.003 1
1 318 . 18 1 1 A 29 29 GLY C C 29 174.200 174.722 -0.522 1
1 319 . 18 1 1 A 29 29 GLY CA C 29 46.900 46.720 0.180 1
1 320 . 18 1 1 A 29 29 GLY N N 29 109.400 107.597 1.803 1
1 321 . 18 1 1 A 30 30 ILE H H 30 8.120 8.121 -0.001 1
1 322 . 18 1 1 A 30 30 ILE HA H 30 4.040 4.244 -0.204 1
1 332 . 18 1 1 A 30 30 ILE C C 30 175.500 174.902 0.598 1
1 333 . 18 1 1 A 30 30 ILE CA C 30 60.000 60.227 -0.227 1
1 334 . 18 1 1 A 30 30 ILE CB C 30 38.100 38.755 -0.655 1
1 338 . 18 1 1 A 30 30 ILE N N 30 121.800 120.264 1.536 1
1 339 . 18 1 1 A 31 31 ASP H H 31 8.430 8.522 -0.092 1
1 340 . 18 1 1 A 31 31 ASP HA H 31 4.650 5.114 -0.464 1
1 343 . 18 1 1 A 31 31 ASP C C 31 175.800 174.937 0.863 1
1 344 . 18 1 1 A 31 31 ASP CA C 31 54.600 54.096 0.504 1
1 345 . 18 1 1 A 31 31 ASP CB C 31 41.600 41.206 0.394 1
1 346 . 18 1 1 A 31 31 ASP N N 31 128.500 126.831 1.669 1
1 347 . 18 1 1 A 32 32 TYR H H 32 7.920 8.912 -0.992 1
1 348 . 18 1 1 A 32 32 TYR HA H 32 5.500 5.572 -0.072 1
1 355 . 18 1 1 A 32 32 TYR C C 32 173.800 172.500 1.300 1
1 356 . 18 1 1 A 32 32 TYR CA C 32 56.100 56.273 -0.173 1
1 357 . 18 1 1 A 32 32 TYR CB C 32 41.700 41.516 0.184 1
1 362 . 18 1 1 A 32 32 TYR N N 32 117.500 120.604 -3.104 1
1 363 . 18 1 1 A 33 33 THR H H 33 8.900 8.783 0.117 1
1 364 . 18 1 1 A 33 33 THR HA H 33 4.470 4.575 -0.105 1
1 369 . 18 1 1 A 33 33 THR C C 33 172.900 173.185 -0.285 1
1 370 . 18 1 1 A 33 33 THR CA C 33 61.800 62.020 -0.220 1
1 371 . 18 1 1 A 33 33 THR CB C 33 70.800 69.829 0.971 1
1 373 . 18 1 1 A 33 33 THR N N 33 117.100 116.797 0.303 1
1 374 . 18 1 1 A 34 34 PHE H H 34 9.280 8.787 0.493 1
1 375 . 18 1 1 A 34 34 PHE HA H 34 5.520 4.683 0.837 1
1 383 . 18 1 1 A 34 34 PHE CA C 34 53.900 57.311 -3.411 1
1 384 . 18 1 1 A 34 34 PHE CB C 34 39.900 39.694 0.206 1
1 390 . 18 1 1 A 34 34 PHE N N 34 128.200 126.865 1.335 1
1 391 . 18 1 1 A 35 35 HIS H H 35 9.210 8.961 0.249 1
1 392 . 18 1 1 A 35 35 HIS HA H 35 4.240 4.534 -0.294 1
1 397 . 18 1 1 A 35 35 HIS CA C 35 54.900 53.811 1.089 1
1 398 . 18 1 1 A 35 35 HIS CB C 35 30.700 32.097 -1.397 1
1 401 . 18 1 1 A 35 35 HIS N N 35 133.900 125.406 8.494 1
1 402 . 18 1 1 A 36 36 ASP H H 36 7.930 8.169 -0.239 1
1 403 . 18 1 1 A 36 36 ASP HA H 36 4.470 4.999 -0.529 1
1 406 . 18 1 1 A 36 36 ASP C C 36 178.500 176.733 1.767 1
1 407 . 18 1 1 A 36 36 ASP CA C 36 50.900 53.570 -2.670 1
1 408 . 18 1 1 A 36 36 ASP CB C 36 42.200 43.040 -0.840 1
1 409 . 18 1 1 A 36 36 ASP N N 36 127.000 123.993 3.007 1
1 410 . 18 1 1 A 37 37 TYR H H 37 9.290 9.197 0.093 1
1 417 . 18 1 1 A 37 37 TYR C C 37 178.700 177.523 1.177 1
1 418 . 18 1 1 A 37 37 TYR CA C 37 58.700 60.987 -2.287 1
1 419 . 18 1 1 A 37 37 TYR CB C 37 39.100 37.934 1.166 1
1 424 . 18 1 1 A 37 37 TYR N N 37 126.400 124.572 1.828 1
1 425 . 18 1 1 A 38 38 LYS H H 38 8.880 7.418 1.462 1
1 426 . 18 1 1 A 38 38 LYS HA H 38 4.300 3.741 0.559 1
1 429 . 18 1 1 A 38 38 LYS CA C 38 57.700 59.029 -1.329 1
1 430 . 18 1 1 A 38 38 LYS CB C 38 31.600 31.908 -0.308 1
1 434 . 18 1 1 A 38 38 LYS N N 38 115.800 122.230 -6.430 1
1 435 . 18 1 1 A 39 39 LYS H H 39 7.330 7.799 -0.469 1
1 436 . 18 1 1 A 39 39 LYS HA H 39 4.420 3.791 0.629 1
1 443 . 18 1 1 A 39 39 LYS CA C 39 57.500 58.766 -1.266 1
1 444 . 18 1 1 A 39 39 LYS CB C 39 34.600 31.849 2.751 1
1 448 . 18 1 1 A 39 39 LYS N N 39 118.800 119.234 -0.434 1
1 449 . 18 1 1 A 40 40 GLU H H 40 8.570 7.685 0.885 1
1 450 . 18 1 1 A 40 40 GLU HA H 40 4.280 4.203 0.077 1
1 455 . 18 1 1 A 40 40 GLU CA C 40 57.900 56.173 1.727 1
1 456 . 18 1 1 A 40 40 GLU CB C 40 29.300 30.702 -1.402 1
1 458 . 18 1 1 A 40 40 GLU N N 40 117.600 115.298 2.302 1
1 459 . 18 1 1 A 41 41 GLY H H 41 7.470 7.829 -0.359 1
1 460 . 18 1 1 A 41 41 GLY HA2 H 41 4.310 3.861 0.449 1
1 461 . 18 1 1 A 41 41 GLY HA3 H 41 4.170 3.867 0.303 1
1 462 . 18 1 1 A 41 41 GLY CA C 41 44.900 46.377 -1.477 1
1 463 . 18 1 1 A 41 41 GLY N N 41 106.300 108.569 -2.269 1
1 464 . 18 1 1 A 42 42 LEU H H 42 8.290 8.280 0.010 1
1 465 . 18 1 1 A 42 42 LEU HA H 42 4.950 4.960 -0.010 1
1 475 . 18 1 1 A 42 42 LEU C C 42 173.800 174.975 -1.175 1
1 476 . 18 1 1 A 42 42 LEU CA C 42 54.500 54.485 0.015 1
1 477 . 18 1 1 A 42 42 LEU CB C 42 43.400 42.254 1.146 1
1 481 . 18 1 1 A 42 42 LEU N N 42 121.000 123.822 -2.822 1
1 482 . 18 1 1 A 43 43 ASP H H 43 8.520 8.312 0.208 1
1 483 . 18 1 1 A 43 43 ASP HA H 43 4.800 4.960 -0.160 1
1 486 . 18 1 1 A 43 43 ASP C C 43 175.400 176.872 -1.472 1
1 487 . 18 1 1 A 43 43 ASP CA C 43 51.600 52.374 -0.774 1
1 488 . 18 1 1 A 43 43 ASP CB C 43 42.200 43.590 -1.390 1
1 489 . 18 1 1 A 43 43 ASP N N 43 124.800 127.001 -2.201 1
1 490 . 18 1 1 A 44 44 ALA H H 44 8.640 8.810 -0.170 1
1 491 . 18 1 1 A 44 44 ALA HA H 44 3.780 4.074 -0.294 1
1 495 . 18 1 1 A 44 44 ALA C C 44 178.100 179.587 -1.487 1
1 496 . 18 1 1 A 44 44 ALA CA C 44 55.400 55.613 -0.213 1
1 497 . 18 1 1 A 44 44 ALA CB C 44 18.100 18.163 -0.063 1
1 498 . 18 1 1 A 44 44 ALA N N 44 122.400 125.669 -3.269 1
1 499 . 18 1 1 A 45 45 GLU H H 45 8.240 8.219 0.021 1
1 500 . 18 1 1 A 45 45 GLU HA H 45 3.920 4.022 -0.102 1
1 505 . 18 1 1 A 45 45 GLU C C 45 179.300 179.136 0.164 1
1 506 . 18 1 1 A 45 45 GLU CA C 45 59.800 59.950 -0.150 1
1 507 . 18 1 1 A 45 45 GLU CB C 45 29.200 29.352 -0.152 1
1 509 . 18 1 1 A 45 45 GLU N N 45 115.600 118.742 -3.142 1
1 510 . 18 1 1 A 46 46 THR H H 46 7.910 8.187 -0.277 1
1 511 . 18 1 1 A 46 46 THR HA H 46 3.500 3.901 -0.401 1
1 516 . 18 1 1 A 46 46 THR C C 46 174.300 176.219 -1.919 1
1 517 . 18 1 1 A 46 46 THR CA C 46 66.600 67.347 -0.747 1
1 518 . 18 1 1 A 46 46 THR CB C 46 67.700 68.782 -1.082 1
1 520 . 18 1 1 A 46 46 THR N N 46 117.700 116.304 1.396 1
1 521 . 18 1 1 A 47 47 LEU H H 47 7.710 8.304 -0.594 1
1 522 . 18 1 1 A 47 47 LEU HA H 47 3.510 4.120 -0.610 1
1 532 . 18 1 1 A 47 47 LEU C C 47 178.000 178.203 -0.203 1
1 533 . 18 1 1 A 47 47 LEU CA C 47 57.900 58.458 -0.558 1
1 534 . 18 1 1 A 47 47 LEU CB C 47 41.500 41.380 0.120 1
1 538 . 18 1 1 A 47 47 LEU N N 47 120.400 121.052 -0.652 1
1 539 . 18 1 1 A 48 48 ASP H H 48 9.000 8.448 0.552 1
1 540 . 18 1 1 A 48 48 ASP HA H 48 4.490 4.267 0.223 1
1 543 . 18 1 1 A 48 48 ASP C C 48 179.100 178.750 0.350 1
1 544 . 18 1 1 A 48 48 ASP CA C 48 57.500 57.834 -0.334 1
1 545 . 18 1 1 A 48 48 ASP CB C 48 39.100 41.824 -2.724 1
1 546 . 18 1 1 A 48 48 ASP N N 48 116.800 118.925 -2.125 1
1 547 . 18 1 1 A 49 49 ARG H H 49 7.560 8.060 -0.500 1
1 548 . 18 1 1 A 49 49 ARG HA H 49 4.110 4.020 0.090 1
1 555 . 18 1 1 A 49 49 ARG C C 49 180.100 179.176 0.924 1
1 556 . 18 1 1 A 49 49 ARG CA C 49 60.300 59.320 0.980 1
1 557 . 18 1 1 A 49 49 ARG CB C 49 29.600 29.601 -0.001 1
1 560 . 18 1 1 A 49 49 ARG N N 49 122.100 118.343 3.757 1
1 561 . 18 1 1 A 50 50 PHE H H 50 8.300 8.089 0.211 1
1 562 . 18 1 1 A 50 50 PHE HA H 50 4.550 4.336 0.214 1
1 569 . 18 1 1 A 50 50 PHE C C 50 178.400 178.267 0.133 1
1 570 . 18 1 1 A 50 50 PHE CA C 50 57.500 61.068 -3.568 1
1 571 . 18 1 1 A 50 50 PHE CB C 50 36.900 38.576 -1.676 1
1 576 . 18 1 1 A 50 50 PHE N N 50 122.100 119.208 2.892 1
1 577 . 18 1 1 A 51 51 LEU H H 51 8.460 8.471 -0.011 1
1 587 . 18 1 1 A 51 51 LEU CA C 51 55.920 58.006 -2.086 1
1 588 . 18 1 1 A 51 51 LEU CB C 51 42.400 41.700 0.700 1
1 592 . 18 1 1 A 51 51 LEU N N 51 117.000 121.225 -4.225 1
1 593 . 18 1 1 A 52 52 LYS H H 52 7.660 8.063 -0.403 1
1 594 . 18 1 1 A 52 52 LYS HA H 52 4.180 4.010 0.170 1
1 603 . 18 1 1 A 52 52 LYS C C 52 178.300 179.356 -1.056 1
1 604 . 18 1 1 A 52 52 LYS CA C 52 58.700 59.341 -0.641 1
1 605 . 18 1 1 A 52 52 LYS CB C 52 32.700 32.142 0.558 1
1 609 . 18 1 1 A 52 52 LYS N N 52 119.100 119.610 -0.510 1
1 610 . 18 1 1 A 53 53 THR H H 53 7.430 7.514 -0.084 1
1 611 . 18 1 1 A 53 53 THR HA H 53 4.570 4.126 0.444 1
1 616 . 18 1 1 A 53 53 THR C C 53 173.800 174.925 -1.125 1
1 617 . 18 1 1 A 53 53 THR CA C 53 62.600 65.732 -3.132 1
1 618 . 18 1 1 A 53 53 THR CB C 53 70.800 69.401 1.399 1
1 620 . 18 1 1 A 53 53 THR N N 53 107.400 111.893 -4.493 1
1 621 . 18 1 1 A 54 54 VAL H H 54 8.500 8.064 0.436 1
1 622 . 18 1 1 A 54 54 VAL HA H 54 4.540 4.600 -0.060 1
1 630 . 18 1 1 A 54 54 VAL C C 54 179.400 173.550 5.850 1
1 631 . 18 1 1 A 54 54 VAL CA C 54 59.100 58.938 0.162 1
1 632 . 18 1 1 A 54 54 VAL CB C 54 33.500 35.361 -1.861 1
1 635 . 18 1 1 A 54 54 VAL N N 54 125.200 119.514 5.686 1
1 636 . 18 1 1 A 55 55 PRO HA H 55 4.590 4.589 0.001 1
1 643 . 18 1 1 A 55 55 PRO C C 55 179.400 177.634 1.766 1
1 644 . 18 1 1 A 55 55 PRO CA C 55 62.100 62.678 -0.578 1
1 645 . 18 1 1 A 55 55 PRO CB C 55 32.900 32.304 0.596 1
1 648 . 18 1 1 A 56 56 TRP H H 56 8.690 8.715 -0.025 1
1 649 . 18 1 1 A 56 56 TRP HA H 56 3.990 4.326 -0.336 1
1 657 . 18 1 1 A 56 56 TRP C C 56 177.500 177.967 -0.467 1
1 658 . 18 1 1 A 56 56 TRP CA C 56 61.000 60.157 0.843 1
1 659 . 18 1 1 A 56 56 TRP CB C 56 27.400 28.807 -1.407 1
1 664 . 18 1 1 A 56 56 TRP N N 56 122.500 125.289 -2.789 1
1 666 . 18 1 1 A 57 57 GLU H H 57 8.410 7.909 0.501 1
1 667 . 18 1 1 A 57 57 GLU HA H 57 3.270 3.768 -0.498 1
1 672 . 18 1 1 A 57 57 GLU C C 57 178.000 177.005 0.995 1
1 673 . 18 1 1 A 57 57 GLU CA C 57 60.200 58.646 1.554 1
1 674 . 18 1 1 A 57 57 GLU CB C 57 28.200 28.548 -0.348 1
1 676 . 18 1 1 A 57 57 GLU N N 57 120.600 118.695 1.905 1
1 677 . 18 1 1 A 58 58 GLN H H 58 7.600 7.753 -0.153 1
1 678 . 18 1 1 A 58 58 GLN HA H 58 4.170 4.576 -0.406 1
1 683 . 18 1 1 A 58 58 GLN C C 58 175.500 176.205 -0.705 1
1 684 . 18 1 1 A 58 58 GLN CA C 58 56.000 54.620 1.380 1
1 685 . 18 1 1 A 58 58 GLN CB C 58 29.600 28.797 0.803 1
1 687 . 18 1 1 A 58 58 GLN N N 58 114.700 118.230 -3.530 1
1 688 . 18 1 1 A 59 59 LEU H H 59 7.440 8.132 -0.692 1
1 689 . 18 1 1 A 59 59 LEU HA H 59 4.220 4.612 -0.392 1
1 699 . 18 1 1 A 59 59 LEU C C 59 175.100 176.079 -0.979 1
1 700 . 18 1 1 A 59 59 LEU CA C 59 55.600 55.726 -0.126 1
1 701 . 18 1 1 A 59 59 LEU CB C 59 44.700 44.918 -0.218 1
1 705 . 18 1 1 A 59 59 LEU N N 59 119.500 120.739 -1.239 1
1 706 . 18 1 1 A 60 60 LEU H H 60 8.120 7.217 0.903 1
1 707 . 18 1 1 A 60 60 LEU HA H 60 4.410 4.981 -0.571 1
1 717 . 18 1 1 A 60 60 LEU C C 60 176.100 176.141 -0.041 1
1 718 . 18 1 1 A 60 60 LEU CA C 60 55.400 52.965 2.435 1
1 719 . 18 1 1 A 60 60 LEU CB C 60 42.900 44.751 -1.851 1
1 723 . 18 1 1 A 60 60 LEU N N 60 119.300 115.067 4.233 1
1 724 . 18 1 1 A 61 61 ASN H H 61 9.120 8.404 0.716 1
1 729 . 18 1 1 A 61 61 ASN C C 61 175.600 174.783 0.817 1
1 730 . 18 1 1 A 61 61 ASN CA C 61 51.300 53.816 -2.516 1
1 731 . 18 1 1 A 61 61 ASN CB C 61 36.800 38.833 -2.033 1
1 732 . 18 1 1 A 61 61 ASN N N 61 124.900 117.881 7.019 1
1 734 . 18 1 1 A 62 62 ARG H H 62 8.140 8.983 -0.843 1
1 735 . 18 1 1 A 62 62 ARG HA H 62 3.450 4.104 -0.654 1
1 742 . 18 1 1 A 62 62 ARG C C 62 175.200 177.114 -1.914 1
1 743 . 18 1 1 A 62 62 ARG CA C 62 57.600 56.519 1.081 1
1 744 . 18 1 1 A 62 62 ARG CB C 62 30.200 32.117 -1.917 1
1 747 . 18 1 1 A 62 62 ARG N N 62 125.500 120.931 4.569 1
1 748 . 18 1 1 A 63 63 ALA H H 63 7.610 7.697 -0.087 1
1 749 . 18 1 1 A 63 63 ALA HA H 63 4.460 4.407 0.053 1
1 753 . 18 1 1 A 63 63 ALA C C 63 178.300 176.871 1.429 1
1 754 . 18 1 1 A 63 63 ALA CA C 63 51.800 51.476 0.324 1
1 755 . 18 1 1 A 63 63 ALA CB C 63 19.300 18.670 0.630 1
1 756 . 18 1 1 A 63 63 ALA N N 63 118.600 119.775 -1.175 1
1 757 . 18 1 1 A 64 64 GLY H H 64 7.150 8.366 -1.216 1
1 758 . 18 1 1 A 64 64 GLY HA2 H 64 4.410 4.235 0.175 1
1 759 . 18 1 1 A 64 64 GLY HA3 H 64 4.020 4.240 -0.220 1
1 760 . 18 1 1 A 64 64 GLY C C 64 173.500 174.973 -1.473 1
1 761 . 18 1 1 A 64 64 GLY CA C 64 45.400 43.651 1.749 1
1 762 . 18 1 1 A 64 64 GLY N N 64 105.700 107.596 -1.896 1
1 763 . 18 1 1 A 65 65 THR H H 65 8.340 8.965 -0.625 1
1 764 . 18 1 1 A 65 65 THR HA H 65 3.880 4.052 -0.172 1
1 769 . 18 1 1 A 65 65 THR C C 65 176.300 175.798 0.502 1
1 770 . 18 1 1 A 65 65 THR CA C 65 65.500 65.405 0.095 1
1 771 . 18 1 1 A 65 65 THR CB C 65 69.000 68.981 0.019 1
1 773 . 18 1 1 A 65 65 THR N N 65 113.400 115.250 -1.850 1
1 774 . 18 1 1 A 66 66 THR H H 66 7.940 7.968 -0.028 1
1 775 . 18 1 1 A 66 66 THR HA H 66 3.820 4.025 -0.205 1
1 780 . 18 1 1 A 66 66 THR C C 66 176.100 176.444 -0.344 1
1 781 . 18 1 1 A 66 66 THR CA C 66 67.000 66.789 0.211 1
1 782 . 18 1 1 A 66 66 THR CB C 66 68.000 68.697 -0.697 1
1 784 . 18 1 1 A 66 66 THR N N 66 116.200 117.305 -1.105 1
1 785 . 18 1 1 A 67 67 PHE H H 67 8.720 8.142 0.578 1
1 786 . 18 1 1 A 67 67 PHE HA H 67 4.130 4.103 0.027 1
1 793 . 18 1 1 A 67 67 PHE C C 67 176.900 177.608 -0.708 1
1 794 . 18 1 1 A 67 67 PHE CA C 67 61.500 60.967 0.533 1
1 795 . 18 1 1 A 67 67 PHE CB C 67 39.800 39.197 0.603 1
1 800 . 18 1 1 A 67 67 PHE N N 67 122.400 120.652 1.748 1
1 801 . 18 1 1 A 68 68 ARG H H 68 7.750 8.101 -0.351 1
1 802 . 18 1 1 A 68 68 ARG HA H 68 3.790 4.272 -0.482 1
1 809 . 18 1 1 A 68 68 ARG C C 68 176.800 178.984 -2.184 1
1 810 . 18 1 1 A 68 68 ARG CA C 68 59.200 58.551 0.649 1
1 811 . 18 1 1 A 68 68 ARG CB C 68 30.200 30.215 -0.015 1
1 814 . 18 1 1 A 68 68 ARG N N 68 114.400 118.103 -3.703 1
1 815 . 18 1 1 A 69 69 LYS H H 69 7.360 7.624 -0.264 1
1 816 . 18 1 1 A 69 69 LYS HA H 69 4.190 4.009 0.181 1
1 819 . 18 1 1 A 69 69 LYS C C 69 177.400 177.095 0.305 1
1 820 . 18 1 1 A 69 69 LYS CA C 69 56.700 58.649 -1.949 1
1 821 . 18 1 1 A 69 69 LYS CB C 69 33.000 32.299 0.701 1
1 825 . 18 1 1 A 69 69 LYS N N 69 115.600 119.581 -3.981 1
1 826 . 18 1 1 A 70 70 LEU H H 70 7.440 7.184 0.256 1
1 827 . 18 1 1 A 70 70 LEU HA H 70 4.350 4.326 0.024 1
1 830 . 18 1 1 A 70 70 LEU CA C 70 53.800 52.843 0.957 1
1 831 . 18 1 1 A 70 70 LEU CB C 70 41.000 40.443 0.557 1
1 832 . 18 1 1 A 70 70 LEU N N 70 121.400 121.500 -0.100 1
1 833 . 18 1 1 A 71 71 PRO HA H 71 4.460 4.485 -0.025 1
1 840 . 18 1 1 A 71 71 PRO C C 71 177.500 177.282 0.218 1
1 841 . 18 1 1 A 71 71 PRO CA C 71 62.800 62.278 0.522 1
1 842 . 18 1 1 A 71 71 PRO CB C 71 32.600 33.276 -0.676 1
1 845 . 18 1 1 A 72 72 GLU H H 72 9.010 8.700 0.310 1
1 846 . 18 1 1 A 72 72 GLU HA H 72 3.650 4.029 -0.379 1
1 851 . 18 1 1 A 72 72 GLU C C 72 177.600 178.549 -0.949 1
1 852 . 18 1 1 A 72 72 GLU CA C 72 60.500 59.301 1.199 1
1 853 . 18 1 1 A 72 72 GLU CB C 72 29.900 28.966 0.934 1
1 855 . 18 1 1 A 72 72 GLU N N 72 124.100 121.942 2.158 1
1 856 . 18 1 1 A 73 73 ASP H H 73 8.860 8.064 0.796 1
1 857 . 18 1 1 A 73 73 ASP HA H 73 4.290 4.415 -0.125 1
1 860 . 18 1 1 A 73 73 ASP C C 73 177.600 178.780 -1.180 1
1 861 . 18 1 1 A 73 73 ASP CA C 73 56.700 57.201 -0.501 1
1 862 . 18 1 1 A 73 73 ASP CB C 73 39.300 40.800 -1.500 1
1 863 . 18 1 1 A 73 73 ASP N N 73 116.200 120.433 -4.233 1
1 864 . 18 1 1 A 74 74 VAL H H 74 7.120 8.010 -0.890 1
1 865 . 18 1 1 A 74 74 VAL HA H 74 3.740 3.551 0.189 1
1 873 . 18 1 1 A 74 74 VAL C C 74 178.200 177.918 0.282 1
1 874 . 18 1 1 A 74 74 VAL CA C 74 65.000 67.158 -2.158 1
1 875 . 18 1 1 A 74 74 VAL CB C 74 32.100 31.215 0.885 1
1 878 . 18 1 1 A 74 74 VAL N N 74 120.400 120.170 0.230 1
1 879 . 18 1 1 A 75 75 ARG H H 75 7.700 7.925 -0.225 1
1 880 . 18 1 1 A 75 75 ARG HA H 75 3.790 3.969 -0.179 1
1 887 . 18 1 1 A 75 75 ARG C C 75 178.500 177.251 1.249 1
1 888 . 18 1 1 A 75 75 ARG CA C 75 59.600 59.130 0.470 1
1 889 . 18 1 1 A 75 75 ARG CB C 75 31.100 30.025 1.075 1
1 892 . 18 1 1 A 75 75 ARG N N 75 115.900 119.666 -3.766 1
1 893 . 18 1 1 A 76 76 SER H H 76 8.260 7.616 0.644 1
1 894 . 18 1 1 A 76 76 SER HA H 76 4.380 4.566 -0.186 1
1 897 . 18 1 1 A 76 76 SER C C 76 174.700 175.596 -0.896 1
1 898 . 18 1 1 A 76 76 SER CA C 76 60.500 59.565 0.935 1
1 899 . 18 1 1 A 76 76 SER CB C 76 63.500 64.064 -0.564 1
1 900 . 18 1 1 A 76 76 SER N N 76 111.800 115.032 -3.232 1
1 901 . 18 1 1 A 77 77 ASN H H 77 7.380 7.925 -0.545 1
1 902 . 18 1 1 A 77 77 ASN HA H 77 5.010 4.921 0.089 1
1 907 . 18 1 1 A 77 77 ASN C C 77 174.300 174.223 0.077 1
1 908 . 18 1 1 A 77 77 ASN CA C 77 52.600 52.827 -0.227 1
1 909 . 18 1 1 A 77 77 ASN CB C 77 39.800 38.788 1.012 1
1 910 . 18 1 1 A 77 77 ASN N N 77 118.000 117.166 0.834 1
1 912 . 18 1 1 A 78 78 VAL H H 78 7.300 7.502 -0.202 1
1 913 . 18 1 1 A 78 78 VAL HA H 78 3.850 4.473 -0.623 1
1 921 . 18 1 1 A 78 78 VAL C C 78 173.200 174.594 -1.394 1
1 922 . 18 1 1 A 78 78 VAL CA C 78 63.600 60.904 2.696 1
1 923 . 18 1 1 A 78 78 VAL CB C 78 32.100 33.257 -1.157 1
1 926 . 18 1 1 A 78 78 VAL N N 78 121.200 121.088 0.112 1
1 927 . 18 1 1 A 79 79 ASP H H 79 7.660 8.229 -0.569 1
1 928 . 18 1 1 A 79 79 ASP HA H 79 4.380 4.948 -0.568 1
1 931 . 18 1 1 A 79 79 ASP C C 79 173.700 175.655 -1.955 1
1 932 . 18 1 1 A 79 79 ASP CA C 79 51.500 51.920 -0.420 1
1 933 . 18 1 1 A 79 79 ASP CB C 79 41.800 43.995 -2.195 1
1 934 . 18 1 1 A 79 79 ASP N N 79 127.000 127.868 -0.868 1
1 935 . 18 1 1 A 80 80 ALA H H 80 8.110 8.622 -0.512 1
1 936 . 18 1 1 A 80 80 ALA HA H 80 2.420 3.797 -1.377 1
1 940 . 18 1 1 A 80 80 ALA C C 80 178.700 179.752 -1.052 1
1 941 . 18 1 1 A 80 80 ALA CA C 80 55.600 55.200 0.400 1
1 942 . 18 1 1 A 80 80 ALA CB C 80 18.600 18.340 0.260 1
1 943 . 18 1 1 A 80 80 ALA N N 80 119.900 121.594 -1.694 1
1 944 . 18 1 1 A 81 81 ALA H H 81 7.760 8.177 -0.417 1
1 945 . 18 1 1 A 81 81 ALA HA H 81 4.030 3.966 0.064 1
1 949 . 18 1 1 A 81 81 ALA C C 81 180.700 179.576 1.124 1
1 950 . 18 1 1 A 81 81 ALA CA C 81 54.800 55.265 -0.465 1
1 951 . 18 1 1 A 81 81 ALA CB C 81 18.300 18.704 -0.404 1
1 952 . 18 1 1 A 81 81 ALA N N 81 118.500 120.246 -1.746 1
1 953 . 18 1 1 A 82 82 SER H H 82 8.480 8.116 0.364 1
1 954 . 18 1 1 A 82 82 SER HA H 82 4.240 4.027 0.213 1
1 957 . 18 1 1 A 82 82 SER C C 82 177.200 176.164 1.036 1
1 958 . 18 1 1 A 82 82 SER CA C 82 60.300 61.991 -1.691 1
1 959 . 18 1 1 A 82 82 SER CB C 82 62.700 62.804 -0.104 1
1 960 . 18 1 1 A 82 82 SER N N 82 115.300 113.230 2.070 1
1 961 . 18 1 1 A 83 83 ALA H H 83 8.970 8.014 0.956 1
1 962 . 18 1 1 A 83 83 ALA HA H 83 3.820 3.875 -0.055 1
1 966 . 18 1 1 A 83 83 ALA C C 83 178.600 180.002 -1.402 1
1 967 . 18 1 1 A 83 83 ALA CA C 83 55.600 55.159 0.441 1
1 968 . 18 1 1 A 83 83 ALA CB C 83 19.400 17.960 1.440 1
1 969 . 18 1 1 A 83 83 ALA N N 83 124.700 123.261 1.439 1
1 970 . 18 1 1 A 84 84 ARG H H 84 7.250 8.184 -0.934 1
1 971 . 18 1 1 A 84 84 ARG HA H 84 3.740 4.094 -0.354 1
1 978 . 18 1 1 A 84 84 ARG C C 84 176.600 179.138 -2.538 1
1 979 . 18 1 1 A 84 84 ARG CA C 84 60.100 59.871 0.229 1
1 980 . 18 1 1 A 84 84 ARG CB C 84 29.900 30.048 -0.148 1
1 983 . 18 1 1 A 84 84 ARG N N 84 116.500 117.641 -1.141 1
1 984 . 18 1 1 A 85 85 GLU H H 85 7.240 8.122 -0.882 1
1 985 . 18 1 1 A 85 85 GLU HA H 85 3.890 4.035 -0.145 1
1 990 . 18 1 1 A 85 85 GLU C C 85 179.800 179.236 0.564 1
1 991 . 18 1 1 A 85 85 GLU CA C 85 59.200 58.814 0.386 1
1 992 . 18 1 1 A 85 85 GLU CB C 85 29.300 29.549 -0.249 1
1 994 . 18 1 1 A 85 85 GLU N N 85 115.600 120.092 -4.492 1
1 995 . 18 1 1 A 86 86 LEU H H 86 8.620 8.515 0.105 1
1 996 . 18 1 1 A 86 86 LEU HA H 86 4.030 3.949 0.081 1
1 1006 . 18 1 1 A 86 86 LEU C C 86 178.600 178.981 -0.381 1
1 1007 . 18 1 1 A 86 86 LEU CA C 86 58.100 57.742 0.358 1
1 1008 . 18 1 1 A 86 86 LEU CB C 86 42.200 41.618 0.582 1
1 1012 . 18 1 1 A 86 86 LEU N N 86 120.800 120.778 0.022 1
1 1013 . 18 1 1 A 87 87 MET H H 87 7.840 8.246 -0.406 1
1 1014 . 18 1 1 A 87 87 MET HA H 87 3.680 4.139 -0.459 1
1 1022 . 18 1 1 A 87 87 MET C C 87 175.600 178.487 -2.887 1
1 1023 . 18 1 1 A 87 87 MET CA C 87 60.000 58.918 1.082 1
1 1024 . 18 1 1 A 87 87 MET CB C 87 34.300 32.187 2.113 1
1 1027 . 18 1 1 A 87 87 MET N N 87 116.700 116.461 0.239 1
1 1028 . 18 1 1 A 88 88 LEU H H 88 7.490 8.203 -0.713 1
1 1029 . 18 1 1 A 88 88 LEU HA H 88 3.890 4.101 -0.211 1
1 1039 . 18 1 1 A 88 88 LEU C C 88 179.200 178.506 0.694 1
1 1040 . 18 1 1 A 88 88 LEU CA C 88 57.000 58.125 -1.125 1
1 1041 . 18 1 1 A 88 88 LEU CB C 88 41.800 41.485 0.315 1
1 1045 . 18 1 1 A 88 88 LEU N N 88 113.400 121.733 -8.333 1
1 1046 . 18 1 1 A 89 89 ALA H H 89 7.690 7.854 -0.164 1
1 1047 . 18 1 1 A 89 89 ALA HA H 89 4.210 4.280 -0.070 1
1 1051 . 18 1 1 A 89 89 ALA C C 89 179.100 177.862 1.238 1
1 1052 . 18 1 1 A 89 89 ALA CA C 89 54.100 54.607 -0.507 1
1 1053 . 18 1 1 A 89 89 ALA CB C 89 19.200 19.118 0.082 1
1 1054 . 18 1 1 A 89 89 ALA N N 89 119.100 120.149 -1.049 1
1 1055 . 18 1 1 A 90 90 GLN H H 90 8.100 8.309 -0.209 1
1 1062 . 18 1 1 A 90 90 GLN CA C 90 53.400 53.128 0.272 1
1 1063 . 18 1 1 A 90 90 GLN CB C 90 30.900 28.686 2.214 1
1 1064 . 18 1 1 A 90 90 GLN N N 90 115.100 115.013 0.087 1
1 1066 . 18 1 1 A 91 91 PRO HA H 91 4.530 4.425 0.105 1
1 1073 . 18 1 1 A 91 91 PRO C C 91 178.300 177.452 0.848 1
1 1074 . 18 1 1 A 91 91 PRO CA C 91 64.300 64.166 0.134 1
1 1075 . 18 1 1 A 91 91 PRO CB C 91 31.800 31.921 -0.121 1
1 1078 . 18 1 1 A 92 92 SER H H 92 8.510 8.221 0.289 1
1 1079 . 18 1 1 A 92 92 SER HA H 92 4.310 3.965 0.345 1
1 1082 . 18 1 1 A 92 92 SER C C 92 174.200 175.389 -1.189 1
1 1083 . 18 1 1 A 92 92 SER CA C 92 62.000 59.703 2.297 1
1 1084 . 18 1 1 A 92 92 SER CB C 92 62.500 62.013 0.487 1
1 1085 . 18 1 1 A 92 92 SER N N 92 115.000 112.661 2.339 1
1 1086 . 18 1 1 A 93 93 MET H H 93 8.790 7.531 1.259 1
1 1087 . 18 1 1 A 93 93 MET HA H 93 4.560 4.476 0.084 1
1 1092 . 18 1 1 A 93 93 MET C C 93 174.900 176.118 -1.218 1
1 1093 . 18 1 1 A 93 93 MET CA C 93 56.900 56.142 0.758 1
1 1094 . 18 1 1 A 93 93 MET CB C 93 35.000 32.656 2.344 1
1 1096 . 18 1 1 A 93 93 MET N N 93 118.400 118.119 0.281 1
1 1097 . 18 1 1 A 94 94 VAL H H 94 7.540 7.453 0.087 1
1 1098 . 18 1 1 A 94 94 VAL HA H 94 4.080 4.286 -0.206 1
1 1106 . 18 1 1 A 94 94 VAL C C 94 178.000 175.746 2.254 1
1 1107 . 18 1 1 A 94 94 VAL CA C 94 63.100 62.046 1.054 1
1 1108 . 18 1 1 A 94 94 VAL CB C 94 31.700 32.617 -0.917 1
1 1111 . 18 1 1 A 94 94 VAL N N 94 121.000 117.891 3.109 1
1 1112 . 18 1 1 A 95 95 LYS H H 95 9.550 8.674 0.876 1
1 1113 . 18 1 1 A 95 95 LYS HA H 95 3.940 4.383 -0.443 1
1 1116 . 18 1 1 A 95 95 LYS CA C 95 58.800 57.056 1.744 1
1 1117 . 18 1 1 A 95 95 LYS CB C 95 33.500 33.518 -0.018 1
1 1121 . 18 1 1 A 95 95 LYS N N 95 131.200 124.019 7.181 1
1 1122 . 18 1 1 A 96 96 ARG H H 96 8.260 8.766 -0.506 1
1 1125 . 18 1 1 A 96 96 ARG CA C 96 52.700 54.698 -1.998 1
1 1126 . 18 1 1 A 96 96 ARG CB C 96 34.400 32.245 2.155 1
1 1127 . 18 1 1 A 96 96 ARG N N 96 117.100 118.776 -1.676 1
1 1134 . 18 1 1 A 97 97 PRO C C 97 176.600 175.283 1.317 1
1 1135 . 18 1 1 A 97 97 PRO CA C 97 62.400 62.494 -0.094 1
1 1136 . 18 1 1 A 97 97 PRO CB C 97 34.700 32.305 2.395 1
1 1139 . 18 1 1 A 98 98 VAL H H 98 7.540 8.192 -0.652 1
1 1140 . 18 1 1 A 98 98 VAL HA H 98 4.460 4.631 -0.171 1
1 1148 . 18 1 1 A 98 98 VAL C C 98 173.500 174.727 -1.227 1
1 1149 . 18 1 1 A 98 98 VAL CA C 98 64.000 60.857 3.143 1
1 1150 . 18 1 1 A 98 98 VAL CB C 98 33.600 33.715 -0.115 1
1 1153 . 18 1 1 A 98 98 VAL N N 98 117.800 121.880 -4.080 1
1 1154 . 18 1 1 A 99 99 LEU H H 99 9.030 9.191 -0.161 1
1 1155 . 18 1 1 A 99 99 LEU HA H 99 5.410 5.306 0.104 1
1 1165 . 18 1 1 A 99 99 LEU C C 99 173.800 175.118 -1.318 1
1 1166 . 18 1 1 A 99 99 LEU CA C 99 54.300 52.723 1.577 1
1 1167 . 18 1 1 A 99 99 LEU CB C 99 45.800 44.019 1.781 1
1 1171 . 18 1 1 A 99 99 LEU N N 99 131.400 127.080 4.320 1
1 1172 . 18 1 1 A 100 100 GLU H H 100 9.390 9.208 0.182 1
1 1173 . 18 1 1 A 100 100 GLU HA H 100 5.050 5.225 -0.175 1
1 1178 . 18 1 1 A 100 100 GLU C C 100 174.200 174.921 -0.721 1
1 1179 . 18 1 1 A 100 100 GLU CA C 100 55.300 54.984 0.316 1
1 1180 . 18 1 1 A 100 100 GLU CB C 100 35.600 32.513 3.087 1
1 1182 . 18 1 1 A 100 100 GLU N N 100 125.800 125.578 0.222 1
1 1183 . 18 1 1 A 101 101 ARG H H 101 7.610 8.895 -1.285 1
1 1184 . 18 1 1 A 101 101 ARG C C 101 175.900 175.167 0.733 1
1 1185 . 18 1 1 A 101 101 ARG CA C 101 56.700 55.736 0.964 1
1 1186 . 18 1 1 A 101 101 ARG CB C 101 32.500 32.733 -0.233 1
1 1189 . 18 1 1 A 101 101 ARG N N 101 125.100 127.251 -2.151 1
1 1190 . 18 1 1 A 102 102 ASP H H 102 10.080 9.420 0.660 1
1 1191 . 18 1 1 A 102 102 ASP HA H 102 4.450 4.287 0.163 1
1 1194 . 18 1 1 A 102 102 ASP C C 102 175.700 175.168 0.532 1
1 1195 . 18 1 1 A 102 102 ASP CA C 102 55.300 55.055 0.245 1
1 1196 . 18 1 1 A 102 102 ASP CB C 102 40.500 39.670 0.830 1
1 1197 . 18 1 1 A 102 102 ASP N N 102 132.000 127.051 4.949 1
1 1198 . 18 1 1 A 103 103 GLY H H 103 8.870 8.326 0.544 1
1 1199 . 18 1 1 A 103 103 GLY HA2 H 103 4.120 3.848 0.272 1
1 1200 . 18 1 1 A 103 103 GLY HA3 H 103 3.830 3.859 -0.029 1
1 1201 . 18 1 1 A 103 103 GLY C C 103 174.000 174.324 -0.324 1
1 1202 . 18 1 1 A 103 103 GLY CA C 103 45.600 45.104 0.496 1
1 1203 . 18 1 1 A 103 103 GLY N N 103 102.900 104.693 -1.793 1
1 1204 . 18 1 1 A 104 104 LYS H H 104 8.130 7.686 0.444 1
1 1205 . 18 1 1 A 104 104 LYS HA H 104 4.650 4.295 0.355 1
1 1208 . 18 1 1 A 104 104 LYS C C 104 176.500 175.595 0.905 1
1 1209 . 18 1 1 A 104 104 LYS CA C 104 55.500 56.436 -0.936 1
1 1210 . 18 1 1 A 104 104 LYS CB C 104 32.600 33.039 -0.439 1
1 1214 . 18 1 1 A 104 104 LYS N N 104 122.400 120.704 1.696 1
1 1215 . 18 1 1 A 105 105 LEU H H 105 8.920 8.863 0.057 1
1 1216 . 18 1 1 A 105 105 LEU HA H 105 5.420 5.089 0.331 1
1 1226 . 18 1 1 A 105 105 LEU C C 105 177.200 175.465 1.735 1
1 1227 . 18 1 1 A 105 105 LEU CA C 105 54.300 53.970 0.330 1
1 1228 . 18 1 1 A 105 105 LEU CB C 105 45.400 43.995 1.405 1
1 1232 . 18 1 1 A 105 105 LEU N N 105 129.200 127.023 2.177 1
1 1233 . 18 1 1 A 106 106 MET H H 106 8.860 9.083 -0.223 1
1 1234 . 18 1 1 A 106 106 MET HA H 106 4.580 5.457 -0.877 1
1 1239 . 18 1 1 A 106 106 MET C C 106 174.500 174.811 -0.311 1
1 1240 . 18 1 1 A 106 106 MET CA C 106 55.300 53.300 2.000 1
1 1241 . 18 1 1 A 106 106 MET CB C 106 36.500 35.453 1.047 1
1 1243 . 18 1 1 A 106 106 MET N N 106 121.500 124.007 -2.507 1
1 1244 . 18 1 1 A 107 107 VAL H H 107 9.180 8.436 0.744 1
1 1245 . 18 1 1 A 107 107 VAL HA H 107 4.690 4.433 0.257 1
1 1253 . 18 1 1 A 107 107 VAL C C 107 176.200 176.169 0.031 1
1 1254 . 18 1 1 A 107 107 VAL CA C 107 61.400 61.039 0.361 1
1 1255 . 18 1 1 A 107 107 VAL CB C 107 33.400 33.275 0.125 1
1 1258 . 18 1 1 A 107 107 VAL N N 107 129.500 116.895 12.605 1
1 1259 . 18 1 1 A 108 108 GLY H H 108 8.730 8.420 0.310 1
1 1260 . 18 1 1 A 108 108 GLY HA2 H 108 4.430 3.713 0.717 1
1 1261 . 18 1 1 A 108 108 GLY HA3 H 108 3.850 3.805 0.045 1
1 1262 . 18 1 1 A 108 108 GLY CA C 108 43.800 44.585 -0.785 1
1 1263 . 18 1 1 A 108 108 GLY N N 108 113.600 109.715 3.885 1
1 1271 . 18 1 1 A 109 109 PHE C C 109 172.700 175.316 -2.616 1
1 1272 . 18 1 1 A 109 109 PHE CA C 109 58.900 56.424 2.476 1
1 1273 . 18 1 1 A 109 109 PHE CB C 109 42.100 42.964 -0.864 1
1 1279 . 18 1 1 A 110 110 LYS H H 110 6.510 8.592 -2.082 1
1 1282 . 18 1 1 A 110 110 LYS CA C 110 53.500 55.186 -1.686 1
1 1283 . 18 1 1 A 110 110 LYS CB C 110 34.800 32.077 2.723 1
1 1284 . 18 1 1 A 110 110 LYS N N 110 126.600 121.535 5.065 1
1 1285 . 18 1 1 A 111 111 PRO HA H 111 3.360 4.246 -0.886 1
1 1292 . 18 1 1 A 111 111 PRO C C 111 177.100 178.626 -1.526 1
1 1293 . 18 1 1 A 111 111 PRO CA C 111 66.600 65.785 0.815 1
1 1294 . 18 1 1 A 111 111 PRO CB C 111 31.700 31.810 -0.110 1
1 1297 . 18 1 1 A 112 112 ALA H H 112 8.450 8.334 0.116 1
1 1298 . 18 1 1 A 112 112 ALA HA H 112 4.140 4.091 0.049 1
1 1302 . 18 1 1 A 112 112 ALA C C 112 180.300 180.721 -0.421 1
1 1303 . 18 1 1 A 112 112 ALA CA C 112 54.900 55.415 -0.515 1
1 1304 . 18 1 1 A 112 112 ALA CB C 112 18.800 18.545 0.255 1
1 1305 . 18 1 1 A 112 112 ALA N N 112 116.200 118.628 -2.428 1
1 1306 . 18 1 1 A 113 113 GLN H H 113 6.880 7.784 -0.904 1
1 1307 . 18 1 1 A 113 113 GLN HA H 113 4.130 4.038 0.092 1
1 1314 . 18 1 1 A 113 113 GLN C C 113 178.400 178.186 0.214 1
1 1315 . 18 1 1 A 113 113 GLN CA C 113 60.100 59.097 1.003 1
1 1316 . 18 1 1 A 113 113 GLN CB C 113 29.100 28.613 0.487 1
1 1318 . 18 1 1 A 113 113 GLN N N 113 118.200 117.490 0.710 1
1 1320 . 18 1 1 A 114 114 TYR H H 114 7.600 8.226 -0.626 1
1 1321 . 18 1 1 A 114 114 TYR HA H 114 3.800 4.092 -0.292 1
1 1328 . 18 1 1 A 114 114 TYR C C 114 177.100 178.166 -1.066 1
1 1329 . 18 1 1 A 114 114 TYR CA C 114 61.700 61.419 0.281 1
1 1330 . 18 1 1 A 114 114 TYR CB C 114 33.200 38.377 -5.177 1
1 1335 . 18 1 1 A 114 114 TYR N N 114 124.900 121.143 3.757 1
1 1336 . 18 1 1 A 115 115 GLU H H 115 8.610 8.465 0.145 1
1 1337 . 18 1 1 A 115 115 GLU HA H 115 4.160 4.326 -0.166 1
1 1342 . 18 1 1 A 115 115 GLU C C 115 178.800 179.432 -0.632 1
1 1343 . 18 1 1 A 115 115 GLU CA C 115 60.100 59.781 0.319 1
1 1344 . 18 1 1 A 115 115 GLU CB C 115 30.000 30.041 -0.041 1
1 1346 . 18 1 1 A 115 115 GLU N N 115 119.300 118.787 0.513 1
1 1347 . 18 1 1 A 116 116 ALA H H 116 7.390 8.032 -0.642 1
1 1348 . 18 1 1 A 116 116 ALA HA H 116 4.210 4.154 0.056 1
1 1352 . 18 1 1 A 116 116 ALA C C 116 179.700 179.541 0.159 1
1 1353 . 18 1 1 A 116 116 ALA CA C 116 54.600 54.897 -0.297 1
1 1354 . 18 1 1 A 116 116 ALA CB C 116 18.200 18.050 0.150 1
1 1355 . 18 1 1 A 116 116 ALA N N 116 118.200 122.412 -4.212 1
1 1356 . 18 1 1 A 117 117 TYR H H 117 7.780 8.123 -0.343 1
1 1357 . 18 1 1 A 117 117 TYR HA H 117 3.890 4.137 -0.247 1
1 1364 . 18 1 1 A 117 117 TYR C C 117 177.300 177.399 -0.099 1
1 1365 . 18 1 1 A 117 117 TYR CA C 117 61.100 61.592 -0.492 1
1 1366 . 18 1 1 A 117 117 TYR CB C 117 39.200 39.170 0.030 1
1 1371 . 18 1 1 A 117 117 TYR N N 117 120.200 119.779 0.421 1
1 1372 . 18 1 1 A 118 118 PHE H H 118 7.960 8.339 -0.379 1
1 1379 . 18 1 1 A 118 118 PHE C C 118 174.900 176.159 -1.259 1
1 1380 . 18 1 1 A 118 118 PHE CA C 118 57.850 60.831 -2.981 1
1 1381 . 18 1 1 A 118 118 PHE CB C 118 39.100 39.115 -0.015 1
1 1386 . 18 1 1 A 118 118 PHE N N 118 113.100 120.673 -7.573 1
1 1387 . 18 1 1 A 119 119 LYS H H 119 7.670 7.533 0.137 1
1 1388 . 18 1 1 A 119 119 LYS HA H 119 4.210 3.830 0.380 1
1 1397 . 18 1 1 A 119 119 LYS CA C 119 57.300 56.109 1.191 1
1 1398 . 18 1 1 A 119 119 LYS CB C 119 31.200 33.006 -1.806 1
1 1402 . 18 1 1 A 119 119 LYS N N 119 120.200 119.225 0.975 1
1 1 . 19 1 1 A 2 2 PRO HA H 2 4.500 4.455 0.045 1
1 8 . 19 1 1 A 2 2 PRO C C 2 177.500 176.640 0.860 1
1 9 . 19 1 1 A 2 2 PRO CA C 2 63.500 64.585 -1.085 1
1 10 . 19 1 1 A 2 2 PRO CB C 2 32.200 32.140 0.060 1
1 13 . 19 1 1 A 3 3 GLY H H 3 8.113 7.353 0.760 1
1 14 . 19 1 1 A 3 3 GLY HA2 H 3 4.060 4.105 -0.045 1
1 15 . 19 1 1 A 3 3 GLY HA3 H 3 4.030 4.107 -0.077 1
1 16 . 19 1 1 A 3 3 GLY CA C 3 45.300 44.585 0.715 1
1 17 . 19 1 1 A 3 3 GLY N N 3 110.500 106.756 3.744 1
1 18 . 19 1 1 A 4 4 SER H H 4 8.280 8.830 -0.550 1
1 19 . 19 1 1 A 4 4 SER HA H 4 4.520 4.469 0.051 1
1 22 . 19 1 1 A 4 4 SER C C 4 178.100 174.737 3.363 1
1 23 . 19 1 1 A 4 4 SER CA C 4 58.600 59.759 -1.159 1
1 24 . 19 1 1 A 4 4 SER CB C 4 63.800 63.770 0.030 1
1 25 . 19 1 1 A 4 4 SER N N 4 115.900 114.359 1.541 1
1 26 . 19 1 1 A 5 5 MET H H 5 8.680 7.970 0.710 1
1 27 . 19 1 1 A 5 5 MET HA H 5 4.700 5.231 -0.531 1
1 32 . 19 1 1 A 5 5 MET C C 5 174.800 174.286 0.514 1
1 33 . 19 1 1 A 5 5 MET CA C 5 54.900 53.511 1.389 1
1 34 . 19 1 1 A 5 5 MET CB C 5 32.500 35.519 -3.019 1
1 36 . 19 1 1 A 5 5 MET N N 5 121.500 117.844 3.656 1
1 37 . 19 1 1 A 6 6 SER H H 6 8.220 8.771 -0.551 1
1 38 . 19 1 1 A 6 6 SER HA H 6 4.580 5.282 -0.702 1
1 41 . 19 1 1 A 6 6 SER C C 6 174.200 172.864 1.336 1
1 42 . 19 1 1 A 6 6 SER CA C 6 59.100 57.065 2.035 1
1 43 . 19 1 1 A 6 6 SER CB C 6 63.800 66.100 -2.300 1
1 44 . 19 1 1 A 6 6 SER N N 6 117.000 114.388 2.612 1
1 45 . 19 1 1 A 7 7 VAL H H 7 8.750 8.803 -0.053 1
1 46 . 19 1 1 A 7 7 VAL HA H 7 4.840 4.424 0.416 1
1 54 . 19 1 1 A 7 7 VAL C C 7 175.800 174.849 0.951 1
1 55 . 19 1 1 A 7 7 VAL CA C 7 61.800 61.328 0.472 1
1 56 . 19 1 1 A 7 7 VAL CB C 7 33.800 32.331 1.469 1
1 59 . 19 1 1 A 7 7 VAL N N 7 124.100 125.338 -1.238 1
1 60 . 19 1 1 A 8 8 THR H H 8 8.880 7.960 0.920 1
1 61 . 19 1 1 A 8 8 THR HA H 8 5.360 4.851 0.509 1
1 66 . 19 1 1 A 8 8 THR C C 8 172.500 172.748 -0.248 1
1 67 . 19 1 1 A 8 8 THR CA C 8 61.700 61.569 0.131 1
1 68 . 19 1 1 A 8 8 THR CB C 8 70.600 70.054 0.546 1
1 70 . 19 1 1 A 8 8 THR N N 8 124.500 121.498 3.002 1
1 71 . 19 1 1 A 9 9 ILE H H 9 9.170 9.326 -0.156 1
1 72 . 19 1 1 A 9 9 ILE HA H 9 5.610 5.624 -0.014 1
1 82 . 19 1 1 A 9 9 ILE C C 9 172.500 172.863 -0.363 1
1 83 . 19 1 1 A 9 9 ILE CA C 9 58.300 58.436 -0.136 1
1 84 . 19 1 1 A 9 9 ILE CB C 9 42.400 41.559 0.841 1
1 88 . 19 1 1 A 9 9 ILE N N 9 123.900 128.239 -4.339 1
1 89 . 19 1 1 A 10 10 TYR H H 10 9.740 9.171 0.569 1
1 90 . 19 1 1 A 10 10 TYR HA H 10 5.410 5.881 -0.471 1
1 95 . 19 1 1 A 10 10 TYR C C 10 177.500 176.233 1.267 1
1 96 . 19 1 1 A 10 10 TYR CA C 10 56.500 55.713 0.787 1
1 97 . 19 1 1 A 10 10 TYR CB C 10 40.300 41.524 -1.224 1
1 100 . 19 1 1 A 10 10 TYR N N 10 125.300 127.765 -2.465 1
1 101 . 19 1 1 A 11 11 GLY H H 11 7.880 8.576 -0.696 1
1 102 . 19 1 1 A 11 11 GLY HA2 H 11 4.700 4.380 0.320 1
1 103 . 19 1 1 A 11 11 GLY HA3 H 11 4.700 4.444 0.256 1
1 104 . 19 1 1 A 11 11 GLY C C 11 170.000 172.536 -2.536 1
1 105 . 19 1 1 A 11 11 GLY CA C 11 46.700 46.232 0.468 1
1 106 . 19 1 1 A 11 11 GLY N N 11 108.600 109.695 -1.095 1
1 107 . 19 1 1 A 12 12 ILE H H 12 6.340 8.911 -2.571 1
1 108 . 19 1 1 A 12 12 ILE HA H 12 5.330 5.314 0.016 1
1 118 . 19 1 1 A 12 12 ILE C C 12 175.100 175.531 -0.431 1
1 119 . 19 1 1 A 12 12 ILE CA C 12 59.300 58.738 0.562 1
1 120 . 19 1 1 A 12 12 ILE CB C 12 41.000 41.421 -0.421 1
1 124 . 19 1 1 A 12 12 ILE N N 12 113.300 117.498 -4.198 1
1 125 . 19 1 1 A 13 13 LYS H H 13 9.450 8.780 0.670 1
1 126 . 19 1 1 A 13 13 LYS HA H 13 4.090 4.717 -0.627 1
1 129 . 19 1 1 A 13 13 LYS C C 13 177.800 176.386 1.414 1
1 130 . 19 1 1 A 13 13 LYS CA C 13 59.200 54.940 4.260 1
1 131 . 19 1 1 A 13 13 LYS CB C 13 33.600 34.610 -1.010 1
1 133 . 19 1 1 A 13 13 LYS N N 13 120.900 122.333 -1.433 1
1 134 . 19 1 1 A 14 14 ASN H H 14 8.700 8.872 -0.172 1
1 135 . 19 1 1 A 14 14 ASN HA H 14 4.690 4.266 0.424 1
1 140 . 19 1 1 A 14 14 ASN C C 14 173.100 173.656 -0.556 1
1 141 . 19 1 1 A 14 14 ASN CA C 14 52.700 54.156 -1.456 1
1 142 . 19 1 1 A 14 14 ASN CB C 14 36.300 37.456 -1.156 1
1 143 . 19 1 1 A 14 14 ASN N N 14 116.600 115.864 0.736 1
1 145 . 19 1 1 A 15 15 CYS H H 15 7.440 7.918 -0.478 1
1 146 . 19 1 1 A 15 15 CYS HA H 15 4.510 4.808 -0.298 1
1 149 . 19 1 1 A 15 15 CYS CA C 15 59.100 57.557 1.543 1
1 150 . 19 1 1 A 15 15 CYS CB C 15 30.800 30.587 0.213 1
1 151 . 19 1 1 A 15 15 CYS N N 15 124.400 117.149 7.251 1
1 152 . 19 1 1 A 16 16 ASP HA H 16 4.460 4.362 0.098 1
1 155 . 19 1 1 A 16 16 ASP C C 16 178.000 178.045 -0.045 1
1 156 . 19 1 1 A 16 16 ASP CA C 16 57.500 57.137 0.363 1
1 157 . 19 1 1 A 16 16 ASP CB C 16 41.400 39.555 1.845 1
1 158 . 19 1 1 A 17 17 THR H H 17 9.210 8.150 1.060 1
1 159 . 19 1 1 A 17 17 THR HA H 17 4.000 3.808 0.192 1
1 164 . 19 1 1 A 17 17 THR C C 17 176.000 176.699 -0.699 1
1 165 . 19 1 1 A 17 17 THR CA C 17 67.400 67.269 0.131 1
1 166 . 19 1 1 A 17 17 THR CB C 17 68.200 68.278 -0.078 1
1 168 . 19 1 1 A 17 17 THR N N 17 122.200 115.875 6.325 1
1 169 . 19 1 1 A 18 18 MET H H 18 8.940 8.206 0.734 1
1 170 . 19 1 1 A 18 18 MET HA H 18 3.990 3.953 0.037 1
1 176 . 19 1 1 A 18 18 MET C C 18 178.300 178.650 -0.350 1
1 177 . 19 1 1 A 18 18 MET CA C 18 56.000 59.191 -3.191 1
1 178 . 19 1 1 A 18 18 MET CB C 18 31.400 32.749 -1.349 1
1 181 . 19 1 1 A 18 18 MET N N 18 125.300 118.009 7.291 1
1 182 . 19 1 1 A 19 19 LYS H H 19 8.080 8.045 0.035 1
1 183 . 19 1 1 A 19 19 LYS HA H 19 3.800 3.846 -0.046 1
1 186 . 19 1 1 A 19 19 LYS CA C 19 60.000 59.603 0.397 1
1 187 . 19 1 1 A 19 19 LYS CB C 19 32.500 32.665 -0.165 1
1 191 . 19 1 1 A 19 19 LYS N N 19 117.900 120.381 -2.481 1
1 192 . 19 1 1 A 20 20 LYS H H 20 7.510 8.127 -0.617 1
1 193 . 19 1 1 A 20 20 LYS HA H 20 3.790 4.032 -0.242 1
1 198 . 19 1 1 A 20 20 LYS C C 20 178.500 179.128 -0.628 1
1 199 . 19 1 1 A 20 20 LYS CA C 20 59.500 59.740 -0.240 1
1 200 . 19 1 1 A 20 20 LYS CB C 20 32.800 32.269 0.531 1
1 204 . 19 1 1 A 20 20 LYS N N 20 117.500 118.654 -1.154 1
1 205 . 19 1 1 A 21 21 ALA H H 21 7.730 8.287 -0.557 1
1 206 . 19 1 1 A 21 21 ALA HA H 21 2.540 4.096 -1.556 1
1 210 . 19 1 1 A 21 21 ALA C C 21 178.700 180.059 -1.359 1
1 211 . 19 1 1 A 21 21 ALA CA C 21 54.400 55.417 -1.017 1
1 212 . 19 1 1 A 21 21 ALA CB C 21 19.000 18.245 0.755 1
1 213 . 19 1 1 A 21 21 ALA N N 21 123.600 122.066 1.534 1
1 214 . 19 1 1 A 22 22 ARG H H 22 8.110 8.233 -0.123 1
1 215 . 19 1 1 A 22 22 ARG HA H 22 3.490 3.956 -0.466 1
1 222 . 19 1 1 A 22 22 ARG C C 22 178.200 178.867 -0.667 1
1 223 . 19 1 1 A 22 22 ARG CA C 22 60.500 59.272 1.228 1
1 224 . 19 1 1 A 22 22 ARG CB C 22 30.700 29.869 0.831 1
1 227 . 19 1 1 A 22 22 ARG N N 22 116.100 117.741 -1.641 1
1 228 . 19 1 1 A 23 23 ILE H H 23 7.860 8.081 -0.221 1
1 229 . 19 1 1 A 23 23 ILE HA H 23 3.710 3.715 -0.005 1
1 239 . 19 1 1 A 23 23 ILE C C 23 177.200 178.680 -1.480 1
1 240 . 19 1 1 A 23 23 ILE CA C 23 65.000 64.596 0.404 1
1 241 . 19 1 1 A 23 23 ILE CB C 23 38.000 37.380 0.620 1
1 245 . 19 1 1 A 23 23 ILE N N 23 119.400 119.158 0.242 1
1 246 . 19 1 1 A 24 24 TRP H H 24 7.880 8.180 -0.300 1
1 247 . 19 1 1 A 24 24 TRP HA H 24 4.270 4.377 -0.107 1
1 256 . 19 1 1 A 24 24 TRP C C 24 176.100 178.328 -2.228 1
1 257 . 19 1 1 A 24 24 TRP CA C 24 63.100 61.085 2.015 1
1 258 . 19 1 1 A 24 24 TRP CB C 24 30.200 29.914 0.286 1
1 264 . 19 1 1 A 24 24 TRP N N 24 121.000 122.594 -1.594 1
1 266 . 19 1 1 A 25 25 LEU H H 25 8.690 8.811 -0.121 1
1 267 . 19 1 1 A 25 25 LEU HA H 25 4.000 4.053 -0.053 1
1 277 . 19 1 1 A 25 25 LEU C C 25 178.600 179.544 -0.944 1
1 278 . 19 1 1 A 25 25 LEU CA C 25 59.700 58.026 1.674 1
1 279 . 19 1 1 A 25 25 LEU CB C 25 41.200 41.166 0.034 1
1 283 . 19 1 1 A 25 25 LEU N N 25 121.800 119.519 2.281 1
1 284 . 19 1 1 A 26 26 GLU H H 26 8.580 8.327 0.253 1
1 285 . 19 1 1 A 26 26 GLU HA H 26 4.200 4.158 0.042 1
1 290 . 19 1 1 A 26 26 GLU C C 26 181.200 179.209 1.991 1
1 291 . 19 1 1 A 26 26 GLU CA C 26 59.500 59.823 -0.323 1
1 292 . 19 1 1 A 26 26 GLU CB C 26 28.800 29.247 -0.447 1
1 294 . 19 1 1 A 26 26 GLU N N 26 120.600 118.619 1.981 1
1 295 . 19 1 1 A 27 27 ASP H H 27 9.360 8.154 1.206 1
1 296 . 19 1 1 A 27 27 ASP HA H 27 4.270 4.370 -0.100 1
1 299 . 19 1 1 A 27 27 ASP C C 27 177.400 178.706 -1.306 1
1 300 . 19 1 1 A 27 27 ASP CA C 27 56.400 57.134 -0.734 1
1 301 . 19 1 1 A 27 27 ASP CB C 27 40.000 41.289 -1.289 1
1 302 . 19 1 1 A 27 27 ASP N N 27 121.800 119.759 2.041 1
1 303 . 19 1 1 A 28 28 HIS H H 28 7.340 8.038 -0.698 1
1 304 . 19 1 1 A 28 28 HIS HA H 28 4.250 4.335 -0.085 1
1 309 . 19 1 1 A 28 28 HIS C C 28 173.600 175.347 -1.747 1
1 310 . 19 1 1 A 28 28 HIS CA C 28 56.700 58.330 -1.630 1
1 311 . 19 1 1 A 28 28 HIS CB C 28 27.500 30.405 -2.905 1
1 314 . 19 1 1 A 28 28 HIS N N 28 113.400 118.831 -5.431 1
1 315 . 19 1 1 A 29 29 GLY H H 29 7.790 7.971 -0.181 1
1 316 . 19 1 1 A 29 29 GLY HA2 H 29 3.870 3.880 -0.010 1
1 317 . 19 1 1 A 29 29 GLY HA3 H 29 3.870 3.904 -0.034 1
1 318 . 19 1 1 A 29 29 GLY C C 29 174.200 174.065 0.135 1
1 319 . 19 1 1 A 29 29 GLY CA C 29 46.900 45.446 1.454 1
1 320 . 19 1 1 A 29 29 GLY N N 29 109.400 106.960 2.440 1
1 321 . 19 1 1 A 30 30 ILE H H 30 8.120 7.967 0.153 1
1 322 . 19 1 1 A 30 30 ILE HA H 30 4.040 4.637 -0.597 1
1 332 . 19 1 1 A 30 30 ILE C C 30 175.500 174.216 1.284 1
1 333 . 19 1 1 A 30 30 ILE CA C 30 60.000 59.996 0.004 1
1 334 . 19 1 1 A 30 30 ILE CB C 30 38.100 39.814 -1.714 1
1 338 . 19 1 1 A 30 30 ILE N N 30 121.800 121.840 -0.040 1
1 339 . 19 1 1 A 31 31 ASP H H 31 8.430 8.811 -0.381 1
1 340 . 19 1 1 A 31 31 ASP HA H 31 4.650 5.371 -0.721 1
1 343 . 19 1 1 A 31 31 ASP C C 31 175.800 174.812 0.988 1
1 344 . 19 1 1 A 31 31 ASP CA C 31 54.600 52.494 2.106 1
1 345 . 19 1 1 A 31 31 ASP CB C 31 41.600 43.289 -1.689 1
1 346 . 19 1 1 A 31 31 ASP N N 31 128.500 126.422 2.078 1
1 347 . 19 1 1 A 32 32 TYR H H 32 7.920 8.801 -0.881 1
1 348 . 19 1 1 A 32 32 TYR HA H 32 5.500 5.172 0.328 1
1 355 . 19 1 1 A 32 32 TYR C C 32 173.800 175.471 -1.671 1
1 356 . 19 1 1 A 32 32 TYR CA C 32 56.100 56.005 0.095 1
1 357 . 19 1 1 A 32 32 TYR CB C 32 41.700 41.627 0.073 1
1 362 . 19 1 1 A 32 32 TYR N N 32 117.500 126.135 -8.635 1
1 363 . 19 1 1 A 33 33 THR H H 33 8.900 8.995 -0.095 1
1 364 . 19 1 1 A 33 33 THR HA H 33 4.470 4.633 -0.163 1
1 369 . 19 1 1 A 33 33 THR C C 33 172.900 173.994 -1.094 1
1 370 . 19 1 1 A 33 33 THR CA C 33 61.800 62.563 -0.763 1
1 371 . 19 1 1 A 33 33 THR CB C 33 70.800 69.169 1.631 1
1 373 . 19 1 1 A 33 33 THR N N 33 117.100 118.457 -1.357 1
1 374 . 19 1 1 A 34 34 PHE H H 34 9.280 9.087 0.193 1
1 375 . 19 1 1 A 34 34 PHE HA H 34 5.520 4.764 0.756 1
1 383 . 19 1 1 A 34 34 PHE CA C 34 53.900 57.937 -4.037 1
1 384 . 19 1 1 A 34 34 PHE CB C 34 39.900 39.460 0.440 1
1 390 . 19 1 1 A 34 34 PHE N N 34 128.200 128.518 -0.318 1
1 391 . 19 1 1 A 35 35 HIS H H 35 9.210 8.926 0.284 1
1 392 . 19 1 1 A 35 35 HIS HA H 35 4.240 4.637 -0.397 1
1 397 . 19 1 1 A 35 35 HIS CA C 35 54.900 53.703 1.197 1
1 398 . 19 1 1 A 35 35 HIS CB C 35 30.700 32.056 -1.356 1
1 401 . 19 1 1 A 35 35 HIS N N 35 133.900 125.331 8.569 1
1 402 . 19 1 1 A 36 36 ASP H H 36 7.930 8.524 -0.594 1
1 403 . 19 1 1 A 36 36 ASP HA H 36 4.470 4.536 -0.066 1
1 406 . 19 1 1 A 36 36 ASP C C 36 178.500 177.328 1.172 1
1 407 . 19 1 1 A 36 36 ASP CA C 36 50.900 54.121 -3.221 1
1 408 . 19 1 1 A 36 36 ASP CB C 36 42.200 41.048 1.152 1
1 409 . 19 1 1 A 36 36 ASP N N 36 127.000 124.445 2.555 1
1 410 . 19 1 1 A 37 37 TYR H H 37 9.290 9.064 0.226 1
1 417 . 19 1 1 A 37 37 TYR C C 37 178.700 177.481 1.219 1
1 418 . 19 1 1 A 37 37 TYR CA C 37 58.700 61.142 -2.442 1
1 419 . 19 1 1 A 37 37 TYR CB C 37 39.100 37.952 1.148 1
1 424 . 19 1 1 A 37 37 TYR N N 37 126.400 122.531 3.869 1
1 425 . 19 1 1 A 38 38 LYS H H 38 8.880 7.386 1.494 1
1 426 . 19 1 1 A 38 38 LYS HA H 38 4.300 3.680 0.620 1
1 429 . 19 1 1 A 38 38 LYS CA C 38 57.700 59.152 -1.452 1
1 430 . 19 1 1 A 38 38 LYS CB C 38 31.600 31.676 -0.076 1
1 434 . 19 1 1 A 38 38 LYS N N 38 115.800 122.455 -6.655 1
1 435 . 19 1 1 A 39 39 LYS H H 39 7.330 7.700 -0.370 1
1 436 . 19 1 1 A 39 39 LYS HA H 39 4.420 3.866 0.554 1
1 443 . 19 1 1 A 39 39 LYS CA C 39 57.500 59.718 -2.218 1
1 444 . 19 1 1 A 39 39 LYS CB C 39 34.600 32.095 2.505 1
1 448 . 19 1 1 A 39 39 LYS N N 39 118.800 119.161 -0.361 1
1 449 . 19 1 1 A 40 40 GLU H H 40 8.570 8.227 0.343 1
1 450 . 19 1 1 A 40 40 GLU HA H 40 4.280 4.272 0.008 1
1 455 . 19 1 1 A 40 40 GLU CA C 40 57.900 58.397 -0.497 1
1 456 . 19 1 1 A 40 40 GLU CB C 40 29.300 30.543 -1.243 1
1 458 . 19 1 1 A 40 40 GLU N N 40 117.600 118.436 -0.836 1
1 459 . 19 1 1 A 41 41 GLY H H 41 7.470 7.647 -0.177 1
1 460 . 19 1 1 A 41 41 GLY HA2 H 41 4.310 3.921 0.389 1
1 461 . 19 1 1 A 41 41 GLY HA3 H 41 4.170 3.930 0.240 1
1 462 . 19 1 1 A 41 41 GLY CA C 41 44.900 46.148 -1.248 1
1 463 . 19 1 1 A 41 41 GLY N N 41 106.300 107.156 -0.856 1
1 464 . 19 1 1 A 42 42 LEU H H 42 8.290 8.204 0.086 1
1 465 . 19 1 1 A 42 42 LEU HA H 42 4.950 4.371 0.579 1
1 475 . 19 1 1 A 42 42 LEU C C 42 173.800 175.205 -1.405 1
1 476 . 19 1 1 A 42 42 LEU CA C 42 54.500 55.662 -1.162 1
1 477 . 19 1 1 A 42 42 LEU CB C 42 43.400 42.652 0.748 1
1 481 . 19 1 1 A 42 42 LEU N N 42 121.000 123.914 -2.914 1
1 482 . 19 1 1 A 43 43 ASP H H 43 8.520 8.712 -0.192 1
1 483 . 19 1 1 A 43 43 ASP HA H 43 4.800 4.971 -0.171 1
1 486 . 19 1 1 A 43 43 ASP C C 43 175.400 176.731 -1.331 1
1 487 . 19 1 1 A 43 43 ASP CA C 43 51.600 52.838 -1.238 1
1 488 . 19 1 1 A 43 43 ASP CB C 43 42.200 43.281 -1.081 1
1 489 . 19 1 1 A 43 43 ASP N N 43 124.800 125.851 -1.051 1
1 490 . 19 1 1 A 44 44 ALA H H 44 8.640 8.934 -0.294 1
1 491 . 19 1 1 A 44 44 ALA HA H 44 3.780 4.058 -0.278 1
1 495 . 19 1 1 A 44 44 ALA C C 44 178.100 179.724 -1.624 1
1 496 . 19 1 1 A 44 44 ALA CA C 44 55.400 55.772 -0.372 1
1 497 . 19 1 1 A 44 44 ALA CB C 44 18.100 18.196 -0.096 1
1 498 . 19 1 1 A 44 44 ALA N N 44 122.400 124.491 -2.091 1
1 499 . 19 1 1 A 45 45 GLU H H 45 8.240 8.345 -0.105 1
1 500 . 19 1 1 A 45 45 GLU HA H 45 3.920 4.024 -0.104 1
1 505 . 19 1 1 A 45 45 GLU C C 45 179.300 179.104 0.196 1
1 506 . 19 1 1 A 45 45 GLU CA C 45 59.800 60.012 -0.212 1
1 507 . 19 1 1 A 45 45 GLU CB C 45 29.200 29.206 -0.006 1
1 509 . 19 1 1 A 45 45 GLU N N 45 115.600 118.678 -3.078 1
1 510 . 19 1 1 A 46 46 THR H H 46 7.910 8.112 -0.202 1
1 511 . 19 1 1 A 46 46 THR HA H 46 3.500 3.809 -0.309 1
1 516 . 19 1 1 A 46 46 THR C C 46 174.300 176.321 -2.021 1
1 517 . 19 1 1 A 46 46 THR CA C 46 66.600 67.251 -0.651 1
1 518 . 19 1 1 A 46 46 THR CB C 46 67.700 68.665 -0.965 1
1 520 . 19 1 1 A 46 46 THR N N 46 117.700 116.157 1.543 1
1 521 . 19 1 1 A 47 47 LEU H H 47 7.710 8.276 -0.566 1
1 522 . 19 1 1 A 47 47 LEU HA H 47 3.510 4.131 -0.621 1
1 532 . 19 1 1 A 47 47 LEU C C 47 178.000 178.068 -0.068 1
1 533 . 19 1 1 A 47 47 LEU CA C 47 57.900 58.514 -0.614 1
1 534 . 19 1 1 A 47 47 LEU CB C 47 41.500 41.784 -0.284 1
1 538 . 19 1 1 A 47 47 LEU N N 47 120.400 121.448 -1.048 1
1 539 . 19 1 1 A 48 48 ASP H H 48 9.000 8.265 0.735 1
1 540 . 19 1 1 A 48 48 ASP HA H 48 4.490 4.287 0.203 1
1 543 . 19 1 1 A 48 48 ASP C C 48 179.100 178.540 0.560 1
1 544 . 19 1 1 A 48 48 ASP CA C 48 57.500 57.700 -0.200 1
1 545 . 19 1 1 A 48 48 ASP CB C 48 39.100 41.908 -2.808 1
1 546 . 19 1 1 A 48 48 ASP N N 48 116.800 118.482 -1.682 1
1 547 . 19 1 1 A 49 49 ARG H H 49 7.560 8.229 -0.669 1
1 548 . 19 1 1 A 49 49 ARG HA H 49 4.110 4.044 0.066 1
1 555 . 19 1 1 A 49 49 ARG C C 49 180.100 179.308 0.792 1
1 556 . 19 1 1 A 49 49 ARG CA C 49 60.300 59.142 1.158 1
1 557 . 19 1 1 A 49 49 ARG CB C 49 29.600 29.553 0.047 1
1 560 . 19 1 1 A 49 49 ARG N N 49 122.100 118.190 3.910 1
1 561 . 19 1 1 A 50 50 PHE H H 50 8.300 8.004 0.296 1
1 562 . 19 1 1 A 50 50 PHE HA H 50 4.550 4.483 0.067 1
1 569 . 19 1 1 A 50 50 PHE C C 50 178.400 178.361 0.039 1
1 570 . 19 1 1 A 50 50 PHE CA C 50 57.500 60.877 -3.377 1
1 571 . 19 1 1 A 50 50 PHE CB C 50 36.900 38.614 -1.714 1
1 576 . 19 1 1 A 50 50 PHE N N 50 122.100 119.030 3.070 1
1 577 . 19 1 1 A 51 51 LEU H H 51 8.460 8.476 -0.016 1
1 587 . 19 1 1 A 51 51 LEU CA C 51 55.920 57.777 -1.857 1
1 588 . 19 1 1 A 51 51 LEU CB C 51 42.400 41.724 0.676 1
1 592 . 19 1 1 A 51 51 LEU N N 51 117.000 121.174 -4.174 1
1 593 . 19 1 1 A 52 52 LYS H H 52 7.660 8.020 -0.360 1
1 594 . 19 1 1 A 52 52 LYS HA H 52 4.180 4.087 0.093 1
1 603 . 19 1 1 A 52 52 LYS C C 52 178.300 178.453 -0.153 1
1 604 . 19 1 1 A 52 52 LYS CA C 52 58.700 58.946 -0.246 1
1 605 . 19 1 1 A 52 52 LYS CB C 52 32.700 31.847 0.853 1
1 609 . 19 1 1 A 52 52 LYS N N 52 119.100 119.766 -0.666 1
1 610 . 19 1 1 A 53 53 THR H H 53 7.430 7.262 0.168 1
1 611 . 19 1 1 A 53 53 THR HA H 53 4.570 4.364 0.206 1
1 616 . 19 1 1 A 53 53 THR C C 53 173.800 174.279 -0.479 1
1 617 . 19 1 1 A 53 53 THR CA C 53 62.600 62.780 -0.180 1
1 618 . 19 1 1 A 53 53 THR CB C 53 70.800 69.545 1.255 1
1 620 . 19 1 1 A 53 53 THR N N 53 107.400 108.625 -1.225 1
1 621 . 19 1 1 A 54 54 VAL H H 54 8.500 7.999 0.501 1
1 622 . 19 1 1 A 54 54 VAL HA H 54 4.540 4.582 -0.042 1
1 630 . 19 1 1 A 54 54 VAL C C 54 179.400 173.603 5.797 1
1 631 . 19 1 1 A 54 54 VAL CA C 54 59.100 58.912 0.188 1
1 632 . 19 1 1 A 54 54 VAL CB C 54 33.500 35.288 -1.788 1
1 635 . 19 1 1 A 54 54 VAL N N 54 125.200 122.145 3.055 1
1 636 . 19 1 1 A 55 55 PRO HA H 55 4.590 4.582 0.008 1
1 643 . 19 1 1 A 55 55 PRO C C 55 179.400 177.728 1.672 1
1 644 . 19 1 1 A 55 55 PRO CA C 55 62.100 62.652 -0.552 1
1 645 . 19 1 1 A 55 55 PRO CB C 55 32.900 32.294 0.606 1
1 648 . 19 1 1 A 56 56 TRP H H 56 8.690 8.782 -0.092 1
1 649 . 19 1 1 A 56 56 TRP HA H 56 3.990 4.302 -0.312 1
1 657 . 19 1 1 A 56 56 TRP C C 56 177.500 177.817 -0.317 1
1 658 . 19 1 1 A 56 56 TRP CA C 56 61.000 60.460 0.540 1
1 659 . 19 1 1 A 56 56 TRP CB C 56 27.400 28.447 -1.047 1
1 664 . 19 1 1 A 56 56 TRP N N 56 122.500 125.231 -2.731 1
1 666 . 19 1 1 A 57 57 GLU H H 57 8.410 7.777 0.633 1
1 667 . 19 1 1 A 57 57 GLU HA H 57 3.270 3.934 -0.664 1
1 672 . 19 1 1 A 57 57 GLU C C 57 178.000 177.097 0.903 1
1 673 . 19 1 1 A 57 57 GLU CA C 57 60.200 58.591 1.609 1
1 674 . 19 1 1 A 57 57 GLU CB C 57 28.200 28.422 -0.222 1
1 676 . 19 1 1 A 57 57 GLU N N 57 120.600 118.446 2.154 1
1 677 . 19 1 1 A 58 58 GLN H H 58 7.600 7.749 -0.149 1
1 678 . 19 1 1 A 58 58 GLN HA H 58 4.170 4.571 -0.401 1
1 683 . 19 1 1 A 58 58 GLN C C 58 175.500 176.197 -0.697 1
1 684 . 19 1 1 A 58 58 GLN CA C 58 56.000 54.569 1.431 1
1 685 . 19 1 1 A 58 58 GLN CB C 58 29.600 28.760 0.840 1
1 687 . 19 1 1 A 58 58 GLN N N 58 114.700 118.421 -3.721 1
1 688 . 19 1 1 A 59 59 LEU H H 59 7.440 8.357 -0.917 1
1 689 . 19 1 1 A 59 59 LEU HA H 59 4.220 4.589 -0.369 1
1 699 . 19 1 1 A 59 59 LEU C C 59 175.100 176.137 -1.037 1
1 700 . 19 1 1 A 59 59 LEU CA C 59 55.600 55.513 0.087 1
1 701 . 19 1 1 A 59 59 LEU CB C 59 44.700 44.547 0.153 1
1 705 . 19 1 1 A 59 59 LEU N N 59 119.500 120.807 -1.307 1
1 706 . 19 1 1 A 60 60 LEU H H 60 8.120 7.049 1.071 1
1 707 . 19 1 1 A 60 60 LEU HA H 60 4.410 5.003 -0.593 1
1 717 . 19 1 1 A 60 60 LEU C C 60 176.100 176.027 0.073 1
1 718 . 19 1 1 A 60 60 LEU CA C 60 55.400 52.736 2.664 1
1 719 . 19 1 1 A 60 60 LEU CB C 60 42.900 45.109 -2.209 1
1 723 . 19 1 1 A 60 60 LEU N N 60 119.300 115.651 3.649 1
1 724 . 19 1 1 A 61 61 ASN H H 61 9.120 8.547 0.573 1
1 729 . 19 1 1 A 61 61 ASN C C 61 175.600 174.833 0.767 1
1 730 . 19 1 1 A 61 61 ASN CA C 61 51.300 53.799 -2.499 1
1 731 . 19 1 1 A 61 61 ASN CB C 61 36.800 38.972 -2.172 1
1 732 . 19 1 1 A 61 61 ASN N N 61 124.900 117.494 7.406 1
1 734 . 19 1 1 A 62 62 ARG H H 62 8.140 8.888 -0.748 1
1 735 . 19 1 1 A 62 62 ARG HA H 62 3.450 3.914 -0.464 1
1 742 . 19 1 1 A 62 62 ARG C C 62 175.200 176.792 -1.592 1
1 743 . 19 1 1 A 62 62 ARG CA C 62 57.600 55.915 1.685 1
1 744 . 19 1 1 A 62 62 ARG CB C 62 30.200 31.756 -1.556 1
1 747 . 19 1 1 A 62 62 ARG N N 62 125.500 121.064 4.436 1
1 748 . 19 1 1 A 63 63 ALA H H 63 7.610 7.562 0.048 1
1 749 . 19 1 1 A 63 63 ALA HA H 63 4.460 4.355 0.105 1
1 753 . 19 1 1 A 63 63 ALA C C 63 178.300 178.006 0.294 1
1 754 . 19 1 1 A 63 63 ALA CA C 63 51.800 51.896 -0.096 1
1 755 . 19 1 1 A 63 63 ALA CB C 63 19.300 20.243 -0.943 1
1 756 . 19 1 1 A 63 63 ALA N N 63 118.600 120.658 -2.058 1
1 757 . 19 1 1 A 64 64 GLY H H 64 7.150 8.128 -0.978 1
1 758 . 19 1 1 A 64 64 GLY HA2 H 64 4.410 4.032 0.378 1
1 759 . 19 1 1 A 64 64 GLY HA3 H 64 4.020 4.039 -0.019 1
1 760 . 19 1 1 A 64 64 GLY C C 64 173.500 175.393 -1.893 1
1 761 . 19 1 1 A 64 64 GLY CA C 64 45.400 45.503 -0.103 1
1 762 . 19 1 1 A 64 64 GLY N N 64 105.700 105.978 -0.278 1
1 763 . 19 1 1 A 65 65 THR H H 65 8.340 8.844 -0.504 1
1 764 . 19 1 1 A 65 65 THR HA H 65 3.880 4.015 -0.135 1
1 769 . 19 1 1 A 65 65 THR C C 65 176.300 176.197 0.103 1
1 770 . 19 1 1 A 65 65 THR CA C 65 65.500 65.592 -0.092 1
1 771 . 19 1 1 A 65 65 THR CB C 65 69.000 68.288 0.712 1
1 773 . 19 1 1 A 65 65 THR N N 65 113.400 115.869 -2.469 1
1 774 . 19 1 1 A 66 66 THR H H 66 7.940 8.035 -0.095 1
1 775 . 19 1 1 A 66 66 THR HA H 66 3.820 3.925 -0.105 1
1 780 . 19 1 1 A 66 66 THR C C 66 176.100 176.369 -0.269 1
1 781 . 19 1 1 A 66 66 THR CA C 66 67.000 66.748 0.252 1
1 782 . 19 1 1 A 66 66 THR CB C 66 68.000 68.933 -0.933 1
1 784 . 19 1 1 A 66 66 THR N N 66 116.200 115.436 0.764 1
1 785 . 19 1 1 A 67 67 PHE H H 67 8.720 7.793 0.927 1
1 786 . 19 1 1 A 67 67 PHE HA H 67 4.130 4.198 -0.068 1
1 793 . 19 1 1 A 67 67 PHE C C 67 176.900 177.415 -0.515 1
1 794 . 19 1 1 A 67 67 PHE CA C 67 61.500 60.747 0.753 1
1 795 . 19 1 1 A 67 67 PHE CB C 67 39.800 39.127 0.673 1
1 800 . 19 1 1 A 67 67 PHE N N 67 122.400 121.958 0.442 1
1 801 . 19 1 1 A 68 68 ARG H H 68 7.750 7.772 -0.022 1
1 802 . 19 1 1 A 68 68 ARG HA H 68 3.790 4.383 -0.593 1
1 809 . 19 1 1 A 68 68 ARG C C 68 176.800 177.928 -1.128 1
1 810 . 19 1 1 A 68 68 ARG CA C 68 59.200 58.061 1.139 1
1 811 . 19 1 1 A 68 68 ARG CB C 68 30.200 29.878 0.322 1
1 814 . 19 1 1 A 68 68 ARG N N 68 114.400 117.736 -3.336 1
1 815 . 19 1 1 A 69 69 LYS H H 69 7.360 7.583 -0.223 1
1 816 . 19 1 1 A 69 69 LYS HA H 69 4.190 4.211 -0.021 1
1 819 . 19 1 1 A 69 69 LYS C C 69 177.400 176.233 1.167 1
1 820 . 19 1 1 A 69 69 LYS CA C 69 56.700 58.199 -1.499 1
1 821 . 19 1 1 A 69 69 LYS CB C 69 33.000 32.783 0.217 1
1 825 . 19 1 1 A 69 69 LYS N N 69 115.600 117.257 -1.657 1
1 826 . 19 1 1 A 70 70 LEU H H 70 7.440 7.608 -0.168 1
1 827 . 19 1 1 A 70 70 LEU HA H 70 4.350 4.761 -0.411 1
1 830 . 19 1 1 A 70 70 LEU CA C 70 53.800 51.416 2.384 1
1 831 . 19 1 1 A 70 70 LEU CB C 70 41.000 44.378 -3.378 1
1 832 . 19 1 1 A 70 70 LEU N N 70 121.400 117.987 3.413 1
1 833 . 19 1 1 A 71 71 PRO HA H 71 4.460 4.544 -0.084 1
1 840 . 19 1 1 A 71 71 PRO C C 71 177.500 177.932 -0.432 1
1 841 . 19 1 1 A 71 71 PRO CA C 71 62.800 62.498 0.302 1
1 842 . 19 1 1 A 71 71 PRO CB C 71 32.600 32.691 -0.091 1
1 845 . 19 1 1 A 72 72 GLU H H 72 9.010 8.685 0.325 1
1 846 . 19 1 1 A 72 72 GLU HA H 72 3.650 4.042 -0.392 1
1 851 . 19 1 1 A 72 72 GLU C C 72 177.600 178.175 -0.575 1
1 852 . 19 1 1 A 72 72 GLU CA C 72 60.500 59.438 1.062 1
1 853 . 19 1 1 A 72 72 GLU CB C 72 29.900 28.977 0.923 1
1 855 . 19 1 1 A 72 72 GLU N N 72 124.100 122.447 1.653 1
1 856 . 19 1 1 A 73 73 ASP H H 73 8.860 7.990 0.870 1
1 857 . 19 1 1 A 73 73 ASP HA H 73 4.290 4.419 -0.129 1
1 860 . 19 1 1 A 73 73 ASP C C 73 177.600 178.637 -1.037 1
1 861 . 19 1 1 A 73 73 ASP CA C 73 56.700 57.210 -0.510 1
1 862 . 19 1 1 A 73 73 ASP CB C 73 39.300 40.829 -1.529 1
1 863 . 19 1 1 A 73 73 ASP N N 73 116.200 120.400 -4.200 1
1 864 . 19 1 1 A 74 74 VAL H H 74 7.120 8.018 -0.898 1
1 865 . 19 1 1 A 74 74 VAL HA H 74 3.740 3.540 0.200 1
1 873 . 19 1 1 A 74 74 VAL C C 74 178.200 177.853 0.347 1
1 874 . 19 1 1 A 74 74 VAL CA C 74 65.000 67.031 -2.031 1
1 875 . 19 1 1 A 74 74 VAL CB C 74 32.100 31.275 0.825 1
1 878 . 19 1 1 A 74 74 VAL N N 74 120.400 120.068 0.332 1
1 879 . 19 1 1 A 75 75 ARG H H 75 7.700 8.373 -0.673 1
1 880 . 19 1 1 A 75 75 ARG HA H 75 3.790 3.937 -0.147 1
1 887 . 19 1 1 A 75 75 ARG C C 75 178.500 178.470 0.030 1
1 888 . 19 1 1 A 75 75 ARG CA C 75 59.600 59.061 0.539 1
1 889 . 19 1 1 A 75 75 ARG CB C 75 31.100 29.583 1.517 1
1 892 . 19 1 1 A 75 75 ARG N N 75 115.900 119.709 -3.809 1
1 893 . 19 1 1 A 76 76 SER H H 76 8.260 7.810 0.450 1
1 894 . 19 1 1 A 76 76 SER HA H 76 4.380 4.303 0.077 1
1 897 . 19 1 1 A 76 76 SER C C 76 174.700 175.221 -0.521 1
1 898 . 19 1 1 A 76 76 SER CA C 76 60.500 60.994 -0.494 1
1 899 . 19 1 1 A 76 76 SER CB C 76 63.500 63.273 0.227 1
1 900 . 19 1 1 A 76 76 SER N N 76 111.800 117.037 -5.237 1
1 901 . 19 1 1 A 77 77 ASN H H 77 7.380 7.481 -0.101 1
1 902 . 19 1 1 A 77 77 ASN HA H 77 5.010 4.715 0.295 1
1 907 . 19 1 1 A 77 77 ASN C C 77 174.300 175.254 -0.954 1
1 908 . 19 1 1 A 77 77 ASN CA C 77 52.600 53.989 -1.389 1
1 909 . 19 1 1 A 77 77 ASN CB C 77 39.800 38.861 0.939 1
1 910 . 19 1 1 A 77 77 ASN N N 77 118.000 117.417 0.583 1
1 912 . 19 1 1 A 78 78 VAL H H 78 7.300 7.130 0.170 1
1 913 . 19 1 1 A 78 78 VAL HA H 78 3.850 3.814 0.036 1
1 921 . 19 1 1 A 78 78 VAL C C 78 173.200 174.343 -1.143 1
1 922 . 19 1 1 A 78 78 VAL CA C 78 63.600 62.755 0.845 1
1 923 . 19 1 1 A 78 78 VAL CB C 78 32.100 32.065 0.035 1
1 926 . 19 1 1 A 78 78 VAL N N 78 121.200 122.031 -0.831 1
1 927 . 19 1 1 A 79 79 ASP H H 79 7.660 8.280 -0.620 1
1 928 . 19 1 1 A 79 79 ASP HA H 79 4.380 4.610 -0.230 1
1 931 . 19 1 1 A 79 79 ASP C C 79 173.700 175.538 -1.838 1
1 932 . 19 1 1 A 79 79 ASP CA C 79 51.500 51.569 -0.069 1
1 933 . 19 1 1 A 79 79 ASP CB C 79 41.800 43.612 -1.812 1
1 934 . 19 1 1 A 79 79 ASP N N 79 127.000 128.601 -1.601 1
1 935 . 19 1 1 A 80 80 ALA H H 80 8.110 8.514 -0.404 1
1 936 . 19 1 1 A 80 80 ALA HA H 80 2.420 3.686 -1.266 1
1 940 . 19 1 1 A 80 80 ALA C C 80 178.700 179.841 -1.141 1
1 941 . 19 1 1 A 80 80 ALA CA C 80 55.600 55.241 0.359 1
1 942 . 19 1 1 A 80 80 ALA CB C 80 18.600 18.530 0.070 1
1 943 . 19 1 1 A 80 80 ALA N N 80 119.900 121.518 -1.618 1
1 944 . 19 1 1 A 81 81 ALA H H 81 7.760 8.120 -0.360 1
1 945 . 19 1 1 A 81 81 ALA HA H 81 4.030 3.940 0.090 1
1 949 . 19 1 1 A 81 81 ALA C C 81 180.700 179.889 0.811 1
1 950 . 19 1 1 A 81 81 ALA CA C 81 54.800 55.237 -0.437 1
1 951 . 19 1 1 A 81 81 ALA CB C 81 18.300 18.537 -0.237 1
1 952 . 19 1 1 A 81 81 ALA N N 81 118.500 120.375 -1.875 1
1 953 . 19 1 1 A 82 82 SER H H 82 8.480 8.030 0.450 1
1 954 . 19 1 1 A 82 82 SER HA H 82 4.240 3.995 0.245 1
1 957 . 19 1 1 A 82 82 SER C C 82 177.200 176.902 0.298 1
1 958 . 19 1 1 A 82 82 SER CA C 82 60.300 61.371 -1.071 1
1 959 . 19 1 1 A 82 82 SER CB C 82 62.700 62.923 -0.223 1
1 960 . 19 1 1 A 82 82 SER N N 82 115.300 112.700 2.600 1
1 961 . 19 1 1 A 83 83 ALA H H 83 8.970 8.279 0.691 1
1 962 . 19 1 1 A 83 83 ALA HA H 83 3.820 3.957 -0.137 1
1 966 . 19 1 1 A 83 83 ALA C C 83 178.600 179.966 -1.366 1
1 967 . 19 1 1 A 83 83 ALA CA C 83 55.600 55.247 0.353 1
1 968 . 19 1 1 A 83 83 ALA CB C 83 19.400 18.469 0.931 1
1 969 . 19 1 1 A 83 83 ALA N N 83 124.700 122.418 2.282 1
1 970 . 19 1 1 A 84 84 ARG H H 84 7.250 8.044 -0.794 1
1 971 . 19 1 1 A 84 84 ARG HA H 84 3.740 4.104 -0.364 1
1 978 . 19 1 1 A 84 84 ARG C C 84 176.600 178.912 -2.312 1
1 979 . 19 1 1 A 84 84 ARG CA C 84 60.100 59.628 0.472 1
1 980 . 19 1 1 A 84 84 ARG CB C 84 29.900 29.812 0.088 1
1 983 . 19 1 1 A 84 84 ARG N N 84 116.500 117.527 -1.027 1
1 984 . 19 1 1 A 85 85 GLU H H 85 7.240 8.037 -0.797 1
1 985 . 19 1 1 A 85 85 GLU HA H 85 3.890 4.064 -0.174 1
1 990 . 19 1 1 A 85 85 GLU C C 85 179.800 179.553 0.247 1
1 991 . 19 1 1 A 85 85 GLU CA C 85 59.200 58.636 0.564 1
1 992 . 19 1 1 A 85 85 GLU CB C 85 29.300 29.875 -0.575 1
1 994 . 19 1 1 A 85 85 GLU N N 85 115.600 120.546 -4.946 1
1 995 . 19 1 1 A 86 86 LEU H H 86 8.620 8.708 -0.088 1
1 996 . 19 1 1 A 86 86 LEU HA H 86 4.030 4.004 0.026 1
1 1006 . 19 1 1 A 86 86 LEU C C 86 178.600 178.880 -0.280 1
1 1007 . 19 1 1 A 86 86 LEU CA C 86 58.100 57.852 0.248 1
1 1008 . 19 1 1 A 86 86 LEU CB C 86 42.200 41.883 0.317 1
1 1012 . 19 1 1 A 86 86 LEU N N 86 120.800 120.495 0.305 1
1 1013 . 19 1 1 A 87 87 MET H H 87 7.840 8.136 -0.296 1
1 1014 . 19 1 1 A 87 87 MET HA H 87 3.680 4.146 -0.466 1
1 1022 . 19 1 1 A 87 87 MET C C 87 175.600 178.535 -2.935 1
1 1023 . 19 1 1 A 87 87 MET CA C 87 60.000 58.892 1.108 1
1 1024 . 19 1 1 A 87 87 MET CB C 87 34.300 32.059 2.241 1
1 1027 . 19 1 1 A 87 87 MET N N 87 116.700 116.110 0.590 1
1 1028 . 19 1 1 A 88 88 LEU H H 88 7.490 8.160 -0.670 1
1 1029 . 19 1 1 A 88 88 LEU HA H 88 3.890 4.091 -0.201 1
1 1039 . 19 1 1 A 88 88 LEU C C 88 179.200 178.519 0.681 1
1 1040 . 19 1 1 A 88 88 LEU CA C 88 57.000 57.996 -0.996 1
1 1041 . 19 1 1 A 88 88 LEU CB C 88 41.800 41.526 0.274 1
1 1045 . 19 1 1 A 88 88 LEU N N 88 113.400 121.785 -8.385 1
1 1046 . 19 1 1 A 89 89 ALA H H 89 7.690 7.826 -0.136 1
1 1047 . 19 1 1 A 89 89 ALA HA H 89 4.210 4.295 -0.085 1
1 1051 . 19 1 1 A 89 89 ALA C C 89 179.100 177.915 1.185 1
1 1052 . 19 1 1 A 89 89 ALA CA C 89 54.100 54.610 -0.510 1
1 1053 . 19 1 1 A 89 89 ALA CB C 89 19.200 19.148 0.052 1
1 1054 . 19 1 1 A 89 89 ALA N N 89 119.100 119.861 -0.761 1
1 1055 . 19 1 1 A 90 90 GLN H H 90 8.100 8.228 -0.128 1
1 1062 . 19 1 1 A 90 90 GLN CA C 90 53.400 53.122 0.278 1
1 1063 . 19 1 1 A 90 90 GLN CB C 90 30.900 28.755 2.145 1
1 1064 . 19 1 1 A 90 90 GLN N N 90 115.100 115.075 0.025 1
1 1066 . 19 1 1 A 91 91 PRO HA H 91 4.530 4.404 0.126 1
1 1073 . 19 1 1 A 91 91 PRO C C 91 178.300 177.326 0.974 1
1 1074 . 19 1 1 A 91 91 PRO CA C 91 64.300 64.067 0.233 1
1 1075 . 19 1 1 A 91 91 PRO CB C 91 31.800 31.917 -0.117 1
1 1078 . 19 1 1 A 92 92 SER H H 92 8.510 8.364 0.146 1
1 1079 . 19 1 1 A 92 92 SER HA H 92 4.310 3.866 0.444 1
1 1082 . 19 1 1 A 92 92 SER C C 92 174.200 176.019 -1.819 1
1 1083 . 19 1 1 A 92 92 SER CA C 92 62.000 60.321 1.679 1
1 1084 . 19 1 1 A 92 92 SER CB C 92 62.500 62.734 -0.234 1
1 1085 . 19 1 1 A 92 92 SER N N 92 115.000 113.628 1.372 1
1 1086 . 19 1 1 A 93 93 MET H H 93 8.790 7.488 1.302 1
1 1087 . 19 1 1 A 93 93 MET HA H 93 4.560 4.457 0.103 1
1 1092 . 19 1 1 A 93 93 MET C C 93 174.900 176.588 -1.688 1
1 1093 . 19 1 1 A 93 93 MET CA C 93 56.900 56.893 0.007 1
1 1094 . 19 1 1 A 93 93 MET CB C 93 35.000 33.219 1.781 1
1 1096 . 19 1 1 A 93 93 MET N N 93 118.400 118.218 0.182 1
1 1097 . 19 1 1 A 94 94 VAL H H 94 7.540 7.612 -0.072 1
1 1098 . 19 1 1 A 94 94 VAL HA H 94 4.080 4.209 -0.129 1
1 1106 . 19 1 1 A 94 94 VAL C C 94 178.000 176.046 1.954 1
1 1107 . 19 1 1 A 94 94 VAL CA C 94 63.100 63.197 -0.097 1
1 1108 . 19 1 1 A 94 94 VAL CB C 94 31.700 31.941 -0.241 1
1 1111 . 19 1 1 A 94 94 VAL N N 94 121.000 121.198 -0.198 1
1 1112 . 19 1 1 A 95 95 LYS H H 95 9.550 8.394 1.156 1
1 1113 . 19 1 1 A 95 95 LYS HA H 95 3.940 4.110 -0.170 1
1 1116 . 19 1 1 A 95 95 LYS CA C 95 58.800 56.378 2.422 1
1 1117 . 19 1 1 A 95 95 LYS CB C 95 33.500 33.009 0.491 1
1 1121 . 19 1 1 A 95 95 LYS N N 95 131.200 124.901 6.299 1
1 1122 . 19 1 1 A 96 96 ARG H H 96 8.260 8.753 -0.493 1
1 1125 . 19 1 1 A 96 96 ARG CA C 96 52.700 54.624 -1.924 1
1 1126 . 19 1 1 A 96 96 ARG CB C 96 34.400 32.526 1.874 1
1 1127 . 19 1 1 A 96 96 ARG N N 96 117.100 117.732 -0.632 1
1 1134 . 19 1 1 A 97 97 PRO C C 97 176.600 175.910 0.690 1
1 1135 . 19 1 1 A 97 97 PRO CA C 97 62.400 62.364 0.036 1
1 1136 . 19 1 1 A 97 97 PRO CB C 97 34.700 32.382 2.318 1
1 1139 . 19 1 1 A 98 98 VAL H H 98 7.540 8.215 -0.675 1
1 1140 . 19 1 1 A 98 98 VAL HA H 98 4.460 4.278 0.182 1
1 1148 . 19 1 1 A 98 98 VAL C C 98 173.500 175.369 -1.869 1
1 1149 . 19 1 1 A 98 98 VAL CA C 98 64.000 61.718 2.282 1
1 1150 . 19 1 1 A 98 98 VAL CB C 98 33.600 32.263 1.337 1
1 1153 . 19 1 1 A 98 98 VAL N N 98 117.800 123.023 -5.223 1
1 1154 . 19 1 1 A 99 99 LEU H H 99 9.030 9.155 -0.125 1
1 1155 . 19 1 1 A 99 99 LEU HA H 99 5.410 5.262 0.148 1
1 1165 . 19 1 1 A 99 99 LEU C C 99 173.800 175.218 -1.418 1
1 1166 . 19 1 1 A 99 99 LEU CA C 99 54.300 52.809 1.491 1
1 1167 . 19 1 1 A 99 99 LEU CB C 99 45.800 43.338 2.462 1
1 1171 . 19 1 1 A 99 99 LEU N N 99 131.400 128.043 3.357 1
1 1172 . 19 1 1 A 100 100 GLU H H 100 9.390 9.219 0.171 1
1 1173 . 19 1 1 A 100 100 GLU HA H 100 5.050 5.221 -0.171 1
1 1178 . 19 1 1 A 100 100 GLU C C 100 174.200 174.983 -0.783 1
1 1179 . 19 1 1 A 100 100 GLU CA C 100 55.300 54.891 0.409 1
1 1180 . 19 1 1 A 100 100 GLU CB C 100 35.600 32.630 2.970 1
1 1182 . 19 1 1 A 100 100 GLU N N 100 125.800 126.089 -0.289 1
1 1183 . 19 1 1 A 101 101 ARG H H 101 7.610 8.893 -1.283 1
1 1184 . 19 1 1 A 101 101 ARG C C 101 175.900 175.173 0.727 1
1 1185 . 19 1 1 A 101 101 ARG CA C 101 56.700 55.994 0.706 1
1 1186 . 19 1 1 A 101 101 ARG CB C 101 32.500 32.954 -0.454 1
1 1189 . 19 1 1 A 101 101 ARG N N 101 125.100 127.318 -2.218 1
1 1190 . 19 1 1 A 102 102 ASP H H 102 10.080 9.453 0.627 1
1 1191 . 19 1 1 A 102 102 ASP HA H 102 4.450 4.272 0.178 1
1 1194 . 19 1 1 A 102 102 ASP C C 102 175.700 175.164 0.536 1
1 1195 . 19 1 1 A 102 102 ASP CA C 102 55.300 55.041 0.259 1
1 1196 . 19 1 1 A 102 102 ASP CB C 102 40.500 39.737 0.763 1
1 1197 . 19 1 1 A 102 102 ASP N N 102 132.000 126.692 5.308 1
1 1198 . 19 1 1 A 103 103 GLY H H 103 8.870 8.312 0.558 1
1 1199 . 19 1 1 A 103 103 GLY HA2 H 103 4.120 3.875 0.245 1
1 1200 . 19 1 1 A 103 103 GLY HA3 H 103 3.830 3.882 -0.052 1
1 1201 . 19 1 1 A 103 103 GLY C C 103 174.000 174.452 -0.452 1
1 1202 . 19 1 1 A 103 103 GLY CA C 103 45.600 45.139 0.461 1
1 1203 . 19 1 1 A 103 103 GLY N N 103 102.900 104.506 -1.606 1
1 1204 . 19 1 1 A 104 104 LYS H H 104 8.130 7.510 0.620 1
1 1205 . 19 1 1 A 104 104 LYS HA H 104 4.650 4.333 0.317 1
1 1208 . 19 1 1 A 104 104 LYS C C 104 176.500 175.641 0.859 1
1 1209 . 19 1 1 A 104 104 LYS CA C 104 55.500 56.858 -1.358 1
1 1210 . 19 1 1 A 104 104 LYS CB C 104 32.600 33.445 -0.845 1
1 1214 . 19 1 1 A 104 104 LYS N N 104 122.400 121.067 1.333 1
1 1215 . 19 1 1 A 105 105 LEU H H 105 8.920 8.777 0.143 1
1 1216 . 19 1 1 A 105 105 LEU HA H 105 5.420 5.296 0.124 1
1 1226 . 19 1 1 A 105 105 LEU C C 105 177.200 175.159 2.041 1
1 1227 . 19 1 1 A 105 105 LEU CA C 105 54.300 53.788 0.512 1
1 1228 . 19 1 1 A 105 105 LEU CB C 105 45.400 45.086 0.314 1
1 1232 . 19 1 1 A 105 105 LEU N N 105 129.200 126.936 2.264 1
1 1233 . 19 1 1 A 106 106 MET H H 106 8.860 8.884 -0.024 1
1 1234 . 19 1 1 A 106 106 MET HA H 106 4.580 4.972 -0.392 1
1 1239 . 19 1 1 A 106 106 MET C C 106 174.500 174.381 0.119 1
1 1240 . 19 1 1 A 106 106 MET CA C 106 55.300 54.543 0.757 1
1 1241 . 19 1 1 A 106 106 MET CB C 106 36.500 36.946 -0.446 1
1 1243 . 19 1 1 A 106 106 MET N N 106 121.500 124.504 -3.004 1
1 1244 . 19 1 1 A 107 107 VAL H H 107 9.180 8.598 0.582 1
1 1245 . 19 1 1 A 107 107 VAL HA H 107 4.690 4.285 0.405 1
1 1253 . 19 1 1 A 107 107 VAL C C 107 176.200 176.052 0.148 1
1 1254 . 19 1 1 A 107 107 VAL CA C 107 61.400 60.983 0.417 1
1 1255 . 19 1 1 A 107 107 VAL CB C 107 33.400 32.296 1.104 1
1 1258 . 19 1 1 A 107 107 VAL N N 107 129.500 122.293 7.207 1
1 1259 . 19 1 1 A 108 108 GLY H H 108 8.730 8.604 0.126 1
1 1260 . 19 1 1 A 108 108 GLY HA2 H 108 4.430 3.807 0.623 1
1 1261 . 19 1 1 A 108 108 GLY HA3 H 108 3.850 3.832 0.018 1
1 1262 . 19 1 1 A 108 108 GLY CA C 108 43.800 45.635 -1.835 1
1 1263 . 19 1 1 A 108 108 GLY N N 108 113.600 114.178 -0.578 1
1 1271 . 19 1 1 A 109 109 PHE C C 109 172.700 175.680 -2.980 1
1 1272 . 19 1 1 A 109 109 PHE CA C 109 58.900 57.250 1.650 1
1 1273 . 19 1 1 A 109 109 PHE CB C 109 42.100 41.258 0.842 1
1 1279 . 19 1 1 A 110 110 LYS H H 110 6.510 8.606 -2.096 1
1 1282 . 19 1 1 A 110 110 LYS CA C 110 53.500 55.186 -1.686 1
1 1283 . 19 1 1 A 110 110 LYS CB C 110 34.800 31.928 2.872 1
1 1284 . 19 1 1 A 110 110 LYS N N 110 126.600 121.086 5.514 1
1 1285 . 19 1 1 A 111 111 PRO HA H 111 3.360 4.202 -0.842 1
1 1292 . 19 1 1 A 111 111 PRO C C 111 177.100 178.666 -1.566 1
1 1293 . 19 1 1 A 111 111 PRO CA C 111 66.600 65.755 0.845 1
1 1294 . 19 1 1 A 111 111 PRO CB C 111 31.700 31.787 -0.087 1
1 1297 . 19 1 1 A 112 112 ALA H H 112 8.450 8.316 0.134 1
1 1298 . 19 1 1 A 112 112 ALA HA H 112 4.140 4.098 0.042 1
1 1302 . 19 1 1 A 112 112 ALA C C 112 180.300 180.589 -0.289 1
1 1303 . 19 1 1 A 112 112 ALA CA C 112 54.900 55.366 -0.466 1
1 1304 . 19 1 1 A 112 112 ALA CB C 112 18.800 18.446 0.354 1
1 1305 . 19 1 1 A 112 112 ALA N N 112 116.200 118.656 -2.456 1
1 1306 . 19 1 1 A 113 113 GLN H H 113 6.880 7.757 -0.877 1
1 1307 . 19 1 1 A 113 113 GLN HA H 113 4.130 4.065 0.065 1
1 1314 . 19 1 1 A 113 113 GLN C C 113 178.400 178.251 0.149 1
1 1315 . 19 1 1 A 113 113 GLN CA C 113 60.100 59.073 1.027 1
1 1316 . 19 1 1 A 113 113 GLN CB C 113 29.100 28.778 0.322 1
1 1318 . 19 1 1 A 113 113 GLN N N 113 118.200 117.712 0.488 1
1 1320 . 19 1 1 A 114 114 TYR H H 114 7.600 8.251 -0.651 1
1 1321 . 19 1 1 A 114 114 TYR HA H 114 3.800 4.123 -0.323 1
1 1328 . 19 1 1 A 114 114 TYR C C 114 177.100 178.226 -1.126 1
1 1329 . 19 1 1 A 114 114 TYR CA C 114 61.700 61.397 0.303 1
1 1330 . 19 1 1 A 114 114 TYR CB C 114 33.200 38.433 -5.233 1
1 1335 . 19 1 1 A 114 114 TYR N N 114 124.900 121.057 3.843 1
1 1336 . 19 1 1 A 115 115 GLU H H 115 8.610 8.524 0.086 1
1 1337 . 19 1 1 A 115 115 GLU HA H 115 4.160 4.357 -0.197 1
1 1342 . 19 1 1 A 115 115 GLU C C 115 178.800 179.406 -0.606 1
1 1343 . 19 1 1 A 115 115 GLU CA C 115 60.100 59.753 0.347 1
1 1344 . 19 1 1 A 115 115 GLU CB C 115 30.000 30.038 -0.038 1
1 1346 . 19 1 1 A 115 115 GLU N N 115 119.300 118.788 0.512 1
1 1347 . 19 1 1 A 116 116 ALA H H 116 7.390 8.030 -0.640 1
1 1348 . 19 1 1 A 116 116 ALA HA H 116 4.210 4.140 0.070 1
1 1352 . 19 1 1 A 116 116 ALA C C 116 179.700 179.553 0.147 1
1 1353 . 19 1 1 A 116 116 ALA CA C 116 54.600 54.918 -0.318 1
1 1354 . 19 1 1 A 116 116 ALA CB C 116 18.200 17.944 0.256 1
1 1355 . 19 1 1 A 116 116 ALA N N 116 118.200 122.378 -4.178 1
1 1356 . 19 1 1 A 117 117 TYR H H 117 7.780 8.100 -0.320 1
1 1357 . 19 1 1 A 117 117 TYR HA H 117 3.890 4.159 -0.269 1
1 1364 . 19 1 1 A 117 117 TYR C C 117 177.300 177.377 -0.077 1
1 1365 . 19 1 1 A 117 117 TYR CA C 117 61.100 61.591 -0.491 1
1 1366 . 19 1 1 A 117 117 TYR CB C 117 39.200 39.311 -0.111 1
1 1371 . 19 1 1 A 117 117 TYR N N 117 120.200 119.767 0.433 1
1 1372 . 19 1 1 A 118 118 PHE H H 118 7.960 8.239 -0.279 1
1 1379 . 19 1 1 A 118 118 PHE C C 118 174.900 176.131 -1.231 1
1 1380 . 19 1 1 A 118 118 PHE CA C 118 57.850 60.930 -3.080 1
1 1381 . 19 1 1 A 118 118 PHE CB C 118 39.100 39.203 -0.103 1
1 1386 . 19 1 1 A 118 118 PHE N N 118 113.100 120.348 -7.248 1
1 1387 . 19 1 1 A 119 119 LYS H H 119 7.670 7.720 -0.050 1
1 1388 . 19 1 1 A 119 119 LYS HA H 119 4.210 4.053 0.157 1
1 1397 . 19 1 1 A 119 119 LYS CA C 119 57.300 55.728 1.572 1
1 1398 . 19 1 1 A 119 119 LYS CB C 119 31.200 33.217 -2.017 1
1 1402 . 19 1 1 A 119 119 LYS N N 119 120.200 118.989 1.211 1
1 1 . 20 1 1 A 2 2 PRO HA H 2 4.500 4.512 -0.012 1
1 8 . 20 1 1 A 2 2 PRO C C 2 177.500 176.455 1.045 1
1 9 . 20 1 1 A 2 2 PRO CA C 2 63.500 62.575 0.925 1
1 10 . 20 1 1 A 2 2 PRO CB C 2 32.200 33.125 -0.925 1
1 13 . 20 1 1 A 3 3 GLY H H 3 8.113 8.573 -0.460 1
1 14 . 20 1 1 A 3 3 GLY HA2 H 3 4.060 3.952 0.108 1
1 15 . 20 1 1 A 3 3 GLY HA3 H 3 4.030 3.959 0.071 1
1 16 . 20 1 1 A 3 3 GLY CA C 3 45.300 46.916 -1.616 1
1 17 . 20 1 1 A 3 3 GLY N N 3 110.500 108.827 1.673 1
1 18 . 20 1 1 A 4 4 SER H H 4 8.280 8.398 -0.118 1
1 19 . 20 1 1 A 4 4 SER HA H 4 4.520 4.220 0.300 1
1 22 . 20 1 1 A 4 4 SER C C 4 178.100 174.675 3.425 1
1 23 . 20 1 1 A 4 4 SER CA C 4 58.600 61.234 -2.634 1
1 24 . 20 1 1 A 4 4 SER CB C 4 63.800 62.760 1.040 1
1 25 . 20 1 1 A 4 4 SER N N 4 115.900 116.194 -0.294 1
1 26 . 20 1 1 A 5 5 MET H H 5 8.680 7.926 0.754 1
1 27 . 20 1 1 A 5 5 MET HA H 5 4.700 5.149 -0.449 1
1 32 . 20 1 1 A 5 5 MET C C 5 174.800 174.130 0.670 1
1 33 . 20 1 1 A 5 5 MET CA C 5 54.900 53.197 1.703 1
1 34 . 20 1 1 A 5 5 MET CB C 5 32.500 35.474 -2.974 1
1 36 . 20 1 1 A 5 5 MET N N 5 121.500 118.040 3.460 1
1 37 . 20 1 1 A 6 6 SER H H 6 8.220 8.937 -0.717 1
1 38 . 20 1 1 A 6 6 SER HA H 6 4.580 5.090 -0.510 1
1 41 . 20 1 1 A 6 6 SER C C 6 174.200 173.376 0.824 1
1 42 . 20 1 1 A 6 6 SER CA C 6 59.100 56.661 2.439 1
1 43 . 20 1 1 A 6 6 SER CB C 6 63.800 64.441 -0.641 1
1 44 . 20 1 1 A 6 6 SER N N 6 117.000 115.935 1.065 1
1 45 . 20 1 1 A 7 7 VAL H H 7 8.750 8.569 0.181 1
1 46 . 20 1 1 A 7 7 VAL HA H 7 4.840 4.274 0.566 1
1 54 . 20 1 1 A 7 7 VAL C C 7 175.800 175.041 0.759 1
1 55 . 20 1 1 A 7 7 VAL CA C 7 61.800 61.587 0.213 1
1 56 . 20 1 1 A 7 7 VAL CB C 7 33.800 31.827 1.973 1
1 59 . 20 1 1 A 7 7 VAL N N 7 124.100 126.339 -2.239 1
1 60 . 20 1 1 A 8 8 THR H H 8 8.880 8.576 0.304 1
1 61 . 20 1 1 A 8 8 THR HA H 8 5.360 4.615 0.745 1
1 66 . 20 1 1 A 8 8 THR C C 8 172.500 172.719 -0.219 1
1 67 . 20 1 1 A 8 8 THR CA C 8 61.700 61.810 -0.110 1
1 68 . 20 1 1 A 8 8 THR CB C 8 70.600 69.741 0.859 1
1 70 . 20 1 1 A 8 8 THR N N 8 124.500 121.892 2.608 1
1 71 . 20 1 1 A 9 9 ILE H H 9 9.170 9.206 -0.036 1
1 72 . 20 1 1 A 9 9 ILE HA H 9 5.610 5.588 0.022 1
1 82 . 20 1 1 A 9 9 ILE C C 9 172.500 173.439 -0.939 1
1 83 . 20 1 1 A 9 9 ILE CA C 9 58.300 58.544 -0.244 1
1 84 . 20 1 1 A 9 9 ILE CB C 9 42.400 41.529 0.871 1
1 88 . 20 1 1 A 9 9 ILE N N 9 123.900 128.294 -4.394 1
1 89 . 20 1 1 A 10 10 TYR H H 10 9.740 9.353 0.387 1
1 90 . 20 1 1 A 10 10 TYR HA H 10 5.410 5.664 -0.254 1
1 95 . 20 1 1 A 10 10 TYR C C 10 177.500 176.147 1.353 1
1 96 . 20 1 1 A 10 10 TYR CA C 10 56.500 55.909 0.591 1
1 97 . 20 1 1 A 10 10 TYR CB C 10 40.300 41.345 -1.045 1
1 100 . 20 1 1 A 10 10 TYR N N 10 125.300 127.958 -2.658 1
1 101 . 20 1 1 A 11 11 GLY H H 11 7.880 8.646 -0.766 1
1 102 . 20 1 1 A 11 11 GLY HA2 H 11 4.700 4.358 0.342 1
1 103 . 20 1 1 A 11 11 GLY HA3 H 11 4.700 4.457 0.243 1
1 104 . 20 1 1 A 11 11 GLY C C 11 170.000 172.535 -2.535 1
1 105 . 20 1 1 A 11 11 GLY CA C 11 46.700 46.135 0.565 1
1 106 . 20 1 1 A 11 11 GLY N N 11 108.600 109.297 -0.697 1
1 107 . 20 1 1 A 12 12 ILE H H 12 6.340 8.562 -2.222 1
1 108 . 20 1 1 A 12 12 ILE HA H 12 5.330 5.018 0.312 1
1 118 . 20 1 1 A 12 12 ILE C C 12 175.100 176.355 -1.255 1
1 119 . 20 1 1 A 12 12 ILE CA C 12 59.300 58.782 0.518 1
1 120 . 20 1 1 A 12 12 ILE CB C 12 41.000 41.260 -0.260 1
1 124 . 20 1 1 A 12 12 ILE N N 12 113.300 117.342 -4.042 1
1 125 . 20 1 1 A 13 13 LYS H H 13 9.450 9.017 0.433 1
1 126 . 20 1 1 A 13 13 LYS HA H 13 4.090 4.446 -0.356 1
1 129 . 20 1 1 A 13 13 LYS C C 13 177.800 176.544 1.256 1
1 130 . 20 1 1 A 13 13 LYS CA C 13 59.200 57.972 1.228 1
1 131 . 20 1 1 A 13 13 LYS CB C 13 33.600 33.355 0.245 1
1 133 . 20 1 1 A 13 13 LYS N N 13 120.900 122.572 -1.672 1
1 134 . 20 1 1 A 14 14 ASN H H 14 8.700 7.693 1.007 1
1 135 . 20 1 1 A 14 14 ASN HA H 14 4.690 4.894 -0.204 1
1 140 . 20 1 1 A 14 14 ASN C C 14 173.100 174.144 -1.044 1
1 141 . 20 1 1 A 14 14 ASN CA C 14 52.700 52.091 0.609 1
1 142 . 20 1 1 A 14 14 ASN CB C 14 36.300 37.345 -1.045 1
1 143 . 20 1 1 A 14 14 ASN N N 14 116.600 116.712 -0.112 1
1 145 . 20 1 1 A 15 15 CYS H H 15 7.440 7.952 -0.512 1
1 146 . 20 1 1 A 15 15 CYS HA H 15 4.510 4.900 -0.390 1
1 149 . 20 1 1 A 15 15 CYS CA C 15 59.100 57.875 1.225 1
1 150 . 20 1 1 A 15 15 CYS CB C 15 30.800 30.808 -0.008 1
1 151 . 20 1 1 A 15 15 CYS N N 15 124.400 123.458 0.942 1
1 152 . 20 1 1 A 16 16 ASP HA H 16 4.460 4.433 0.027 1
1 155 . 20 1 1 A 16 16 ASP C C 16 178.000 178.154 -0.154 1
1 156 . 20 1 1 A 16 16 ASP CA C 16 57.500 56.345 1.155 1
1 157 . 20 1 1 A 16 16 ASP CB C 16 41.400 41.199 0.201 1
1 158 . 20 1 1 A 17 17 THR H H 17 9.210 7.895 1.315 1
1 159 . 20 1 1 A 17 17 THR HA H 17 4.000 3.783 0.217 1
1 164 . 20 1 1 A 17 17 THR C C 17 176.000 176.671 -0.671 1
1 165 . 20 1 1 A 17 17 THR CA C 17 67.400 67.308 0.092 1
1 166 . 20 1 1 A 17 17 THR CB C 17 68.200 68.362 -0.162 1
1 168 . 20 1 1 A 17 17 THR N N 17 122.200 116.899 5.301 1
1 169 . 20 1 1 A 18 18 MET H H 18 8.940 8.173 0.767 1
1 170 . 20 1 1 A 18 18 MET HA H 18 3.990 3.950 0.040 1
1 176 . 20 1 1 A 18 18 MET C C 18 178.300 178.553 -0.253 1
1 177 . 20 1 1 A 18 18 MET CA C 18 56.000 59.246 -3.246 1
1 178 . 20 1 1 A 18 18 MET CB C 18 31.400 32.633 -1.233 1
1 181 . 20 1 1 A 18 18 MET N N 18 125.300 118.222 7.078 1
1 182 . 20 1 1 A 19 19 LYS H H 19 8.080 7.908 0.172 1
1 183 . 20 1 1 A 19 19 LYS HA H 19 3.800 3.885 -0.085 1
1 186 . 20 1 1 A 19 19 LYS CA C 19 60.000 59.665 0.335 1
1 187 . 20 1 1 A 19 19 LYS CB C 19 32.500 32.413 0.087 1
1 191 . 20 1 1 A 19 19 LYS N N 19 117.900 120.880 -2.980 1
1 192 . 20 1 1 A 20 20 LYS H H 20 7.510 7.726 -0.216 1
1 193 . 20 1 1 A 20 20 LYS HA H 20 3.790 4.068 -0.278 1
1 198 . 20 1 1 A 20 20 LYS C C 20 178.500 178.985 -0.485 1
1 199 . 20 1 1 A 20 20 LYS CA C 20 59.500 59.708 -0.208 1
1 200 . 20 1 1 A 20 20 LYS CB C 20 32.800 32.517 0.283 1
1 204 . 20 1 1 A 20 20 LYS N N 20 117.500 118.925 -1.425 1
1 205 . 20 1 1 A 21 21 ALA H H 21 7.730 8.253 -0.523 1
1 206 . 20 1 1 A 21 21 ALA HA H 21 2.540 4.039 -1.499 1
1 210 . 20 1 1 A 21 21 ALA C C 21 178.700 179.977 -1.277 1
1 211 . 20 1 1 A 21 21 ALA CA C 21 54.400 55.255 -0.855 1
1 212 . 20 1 1 A 21 21 ALA CB C 21 19.000 18.308 0.692 1
1 213 . 20 1 1 A 21 21 ALA N N 21 123.600 122.231 1.369 1
1 214 . 20 1 1 A 22 22 ARG H H 22 8.110 8.171 -0.061 1
1 215 . 20 1 1 A 22 22 ARG HA H 22 3.490 4.019 -0.529 1
1 222 . 20 1 1 A 22 22 ARG C C 22 178.200 178.531 -0.331 1
1 223 . 20 1 1 A 22 22 ARG CA C 22 60.500 59.327 1.173 1
1 224 . 20 1 1 A 22 22 ARG CB C 22 30.700 29.749 0.951 1
1 227 . 20 1 1 A 22 22 ARG N N 22 116.100 117.832 -1.732 1
1 228 . 20 1 1 A 23 23 ILE H H 23 7.860 8.094 -0.234 1
1 229 . 20 1 1 A 23 23 ILE HA H 23 3.710 3.767 -0.057 1
1 239 . 20 1 1 A 23 23 ILE C C 23 177.200 178.638 -1.438 1
1 240 . 20 1 1 A 23 23 ILE CA C 23 65.000 64.995 0.005 1
1 241 . 20 1 1 A 23 23 ILE CB C 23 38.000 37.529 0.471 1
1 245 . 20 1 1 A 23 23 ILE N N 23 119.400 119.197 0.203 1
1 246 . 20 1 1 A 24 24 TRP H H 24 7.880 8.146 -0.266 1
1 247 . 20 1 1 A 24 24 TRP HA H 24 4.270 4.379 -0.109 1
1 256 . 20 1 1 A 24 24 TRP C C 24 176.100 178.323 -2.223 1
1 257 . 20 1 1 A 24 24 TRP CA C 24 63.100 61.155 1.945 1
1 258 . 20 1 1 A 24 24 TRP CB C 24 30.200 29.997 0.203 1
1 264 . 20 1 1 A 24 24 TRP N N 24 121.000 122.321 -1.321 1
1 266 . 20 1 1 A 25 25 LEU H H 25 8.690 8.860 -0.170 1
1 267 . 20 1 1 A 25 25 LEU HA H 25 4.000 3.978 0.022 1
1 277 . 20 1 1 A 25 25 LEU C C 25 178.600 179.376 -0.776 1
1 278 . 20 1 1 A 25 25 LEU CA C 25 59.700 57.996 1.704 1
1 279 . 20 1 1 A 25 25 LEU CB C 25 41.200 41.350 -0.150 1
1 283 . 20 1 1 A 25 25 LEU N N 25 121.800 119.632 2.168 1
1 284 . 20 1 1 A 26 26 GLU H H 26 8.580 8.567 0.013 1
1 285 . 20 1 1 A 26 26 GLU HA H 26 4.200 4.027 0.173 1
1 290 . 20 1 1 A 26 26 GLU C C 26 181.200 178.759 2.441 1
1 291 . 20 1 1 A 26 26 GLU CA C 26 59.500 59.791 -0.291 1
1 292 . 20 1 1 A 26 26 GLU CB C 26 28.800 29.494 -0.694 1
1 294 . 20 1 1 A 26 26 GLU N N 26 120.600 119.089 1.511 1
1 295 . 20 1 1 A 27 27 ASP H H 27 9.360 8.377 0.983 1
1 296 . 20 1 1 A 27 27 ASP HA H 27 4.270 4.233 0.037 1
1 299 . 20 1 1 A 27 27 ASP C C 27 177.400 178.488 -1.088 1
1 300 . 20 1 1 A 27 27 ASP CA C 27 56.400 56.971 -0.571 1
1 301 . 20 1 1 A 27 27 ASP CB C 27 40.000 41.666 -1.666 1
1 302 . 20 1 1 A 27 27 ASP N N 27 121.800 120.664 1.136 1
1 303 . 20 1 1 A 28 28 HIS H H 28 7.340 7.930 -0.590 1
1 304 . 20 1 1 A 28 28 HIS HA H 28 4.250 4.227 0.023 1
1 309 . 20 1 1 A 28 28 HIS C C 28 173.600 175.281 -1.681 1
1 310 . 20 1 1 A 28 28 HIS CA C 28 56.700 58.119 -1.419 1
1 311 . 20 1 1 A 28 28 HIS CB C 28 27.500 30.206 -2.706 1
1 314 . 20 1 1 A 28 28 HIS N N 28 113.400 118.970 -5.570 1
1 315 . 20 1 1 A 29 29 GLY H H 29 7.790 8.425 -0.635 1
1 316 . 20 1 1 A 29 29 GLY HA2 H 29 3.870 3.855 0.015 1
1 317 . 20 1 1 A 29 29 GLY HA3 H 29 3.870 3.857 0.013 1
1 318 . 20 1 1 A 29 29 GLY C C 29 174.200 174.324 -0.124 1
1 319 . 20 1 1 A 29 29 GLY CA C 29 46.900 45.915 0.985 1
1 320 . 20 1 1 A 29 29 GLY N N 29 109.400 106.949 2.451 1
1 321 . 20 1 1 A 30 30 ILE H H 30 8.120 8.020 0.100 1
1 322 . 20 1 1 A 30 30 ILE HA H 30 4.040 4.721 -0.681 1
1 332 . 20 1 1 A 30 30 ILE C C 30 175.500 174.758 0.742 1
1 333 . 20 1 1 A 30 30 ILE CA C 30 60.000 60.023 -0.023 1
1 334 . 20 1 1 A 30 30 ILE CB C 30 38.100 40.044 -1.944 1
1 338 . 20 1 1 A 30 30 ILE N N 30 121.800 120.661 1.139 1
1 339 . 20 1 1 A 31 31 ASP H H 31 8.430 8.907 -0.477 1
1 340 . 20 1 1 A 31 31 ASP HA H 31 4.650 5.583 -0.933 1
1 343 . 20 1 1 A 31 31 ASP C C 31 175.800 175.016 0.784 1
1 344 . 20 1 1 A 31 31 ASP CA C 31 54.600 53.205 1.395 1
1 345 . 20 1 1 A 31 31 ASP CB C 31 41.600 43.381 -1.781 1
1 346 . 20 1 1 A 31 31 ASP N N 31 128.500 123.996 4.504 1
1 347 . 20 1 1 A 32 32 TYR H H 32 7.920 9.309 -1.389 1
1 348 . 20 1 1 A 32 32 TYR HA H 32 5.500 5.207 0.293 1
1 355 . 20 1 1 A 32 32 TYR C C 32 173.800 175.740 -1.940 1
1 356 . 20 1 1 A 32 32 TYR CA C 32 56.100 56.290 -0.190 1
1 357 . 20 1 1 A 32 32 TYR CB C 32 41.700 41.508 0.192 1
1 362 . 20 1 1 A 32 32 TYR N N 32 117.500 122.576 -5.076 1
1 363 . 20 1 1 A 33 33 THR H H 33 8.900 8.795 0.105 1
1 364 . 20 1 1 A 33 33 THR HA H 33 4.470 4.580 -0.110 1
1 369 . 20 1 1 A 33 33 THR C C 33 172.900 173.766 -0.866 1
1 370 . 20 1 1 A 33 33 THR CA C 33 61.800 62.457 -0.657 1
1 371 . 20 1 1 A 33 33 THR CB C 33 70.800 69.092 1.708 1
1 373 . 20 1 1 A 33 33 THR N N 33 117.100 118.057 -0.957 1
1 374 . 20 1 1 A 34 34 PHE H H 34 9.280 9.068 0.212 1
1 375 . 20 1 1 A 34 34 PHE HA H 34 5.520 4.716 0.804 1
1 383 . 20 1 1 A 34 34 PHE CA C 34 53.900 58.031 -4.131 1
1 384 . 20 1 1 A 34 34 PHE CB C 34 39.900 39.496 0.404 1
1 390 . 20 1 1 A 34 34 PHE N N 34 128.200 128.494 -0.294 1
1 391 . 20 1 1 A 35 35 HIS H H 35 9.210 8.861 0.349 1
1 392 . 20 1 1 A 35 35 HIS HA H 35 4.240 4.581 -0.341 1
1 397 . 20 1 1 A 35 35 HIS CA C 35 54.900 53.709 1.191 1
1 398 . 20 1 1 A 35 35 HIS CB C 35 30.700 32.073 -1.373 1
1 401 . 20 1 1 A 35 35 HIS N N 35 133.900 125.133 8.767 1
1 402 . 20 1 1 A 36 36 ASP H H 36 7.930 8.085 -0.155 1
1 403 . 20 1 1 A 36 36 ASP HA H 36 4.470 4.611 -0.141 1
1 406 . 20 1 1 A 36 36 ASP C C 36 178.500 177.244 1.256 1
1 407 . 20 1 1 A 36 36 ASP CA C 36 50.900 53.771 -2.871 1
1 408 . 20 1 1 A 36 36 ASP CB C 36 42.200 41.280 0.920 1
1 409 . 20 1 1 A 36 36 ASP N N 36 127.000 124.084 2.916 1
1 410 . 20 1 1 A 37 37 TYR H H 37 9.290 9.123 0.167 1
1 417 . 20 1 1 A 37 37 TYR C C 37 178.700 177.491 1.209 1
1 418 . 20 1 1 A 37 37 TYR CA C 37 58.700 61.002 -2.302 1
1 419 . 20 1 1 A 37 37 TYR CB C 37 39.100 37.934 1.166 1
1 424 . 20 1 1 A 37 37 TYR N N 37 126.400 122.367 4.033 1
1 425 . 20 1 1 A 38 38 LYS H H 38 8.880 7.560 1.320 1
1 426 . 20 1 1 A 38 38 LYS HA H 38 4.300 3.707 0.593 1
1 429 . 20 1 1 A 38 38 LYS CA C 38 57.700 58.904 -1.204 1
1 430 . 20 1 1 A 38 38 LYS CB C 38 31.600 32.077 -0.477 1
1 434 . 20 1 1 A 38 38 LYS N N 38 115.800 122.258 -6.458 1
1 435 . 20 1 1 A 39 39 LYS H H 39 7.330 7.941 -0.611 1
1 436 . 20 1 1 A 39 39 LYS HA H 39 4.420 3.836 0.584 1
1 443 . 20 1 1 A 39 39 LYS CA C 39 57.500 59.676 -2.176 1
1 444 . 20 1 1 A 39 39 LYS CB C 39 34.600 32.132 2.468 1
1 448 . 20 1 1 A 39 39 LYS N N 39 118.800 118.909 -0.109 1
1 449 . 20 1 1 A 40 40 GLU H H 40 8.570 8.165 0.405 1
1 450 . 20 1 1 A 40 40 GLU HA H 40 4.280 4.085 0.195 1
1 455 . 20 1 1 A 40 40 GLU CA C 40 57.900 56.738 1.162 1
1 456 . 20 1 1 A 40 40 GLU CB C 40 29.300 29.801 -0.501 1
1 458 . 20 1 1 A 40 40 GLU N N 40 117.600 115.912 1.688 1
1 459 . 20 1 1 A 41 41 GLY H H 41 7.470 7.880 -0.410 1
1 460 . 20 1 1 A 41 41 GLY HA2 H 41 4.310 3.901 0.409 1
1 461 . 20 1 1 A 41 41 GLY HA3 H 41 4.170 3.915 0.255 1
1 462 . 20 1 1 A 41 41 GLY CA C 41 44.900 46.358 -1.458 1
1 463 . 20 1 1 A 41 41 GLY N N 41 106.300 108.212 -1.912 1
1 464 . 20 1 1 A 42 42 LEU H H 42 8.290 8.283 0.007 1
1 465 . 20 1 1 A 42 42 LEU HA H 42 4.950 4.436 0.514 1
1 475 . 20 1 1 A 42 42 LEU C C 42 173.800 175.065 -1.265 1
1 476 . 20 1 1 A 42 42 LEU CA C 42 54.500 55.209 -0.709 1
1 477 . 20 1 1 A 42 42 LEU CB C 42 43.400 42.592 0.808 1
1 481 . 20 1 1 A 42 42 LEU N N 42 121.000 123.988 -2.988 1
1 482 . 20 1 1 A 43 43 ASP H H 43 8.520 8.471 0.049 1
1 483 . 20 1 1 A 43 43 ASP HA H 43 4.800 5.106 -0.306 1
1 486 . 20 1 1 A 43 43 ASP C C 43 175.400 176.208 -0.808 1
1 487 . 20 1 1 A 43 43 ASP CA C 43 51.600 52.045 -0.445 1
1 488 . 20 1 1 A 43 43 ASP CB C 43 42.200 44.381 -2.181 1
1 489 . 20 1 1 A 43 43 ASP N N 43 124.800 126.934 -2.134 1
1 490 . 20 1 1 A 44 44 ALA H H 44 8.640 8.665 -0.025 1
1 491 . 20 1 1 A 44 44 ALA HA H 44 3.780 4.068 -0.288 1
1 495 . 20 1 1 A 44 44 ALA C C 44 178.100 179.403 -1.303 1
1 496 . 20 1 1 A 44 44 ALA CA C 44 55.400 55.517 -0.117 1
1 497 . 20 1 1 A 44 44 ALA CB C 44 18.100 18.241 -0.141 1
1 498 . 20 1 1 A 44 44 ALA N N 44 122.400 125.510 -3.110 1
1 499 . 20 1 1 A 45 45 GLU H H 45 8.240 8.218 0.022 1
1 500 . 20 1 1 A 45 45 GLU HA H 45 3.920 3.995 -0.075 1
1 505 . 20 1 1 A 45 45 GLU C C 45 179.300 178.339 0.961 1
1 506 . 20 1 1 A 45 45 GLU CA C 45 59.800 59.943 -0.143 1
1 507 . 20 1 1 A 45 45 GLU CB C 45 29.200 29.232 -0.032 1
1 509 . 20 1 1 A 45 45 GLU N N 45 115.600 118.802 -3.202 1
1 510 . 20 1 1 A 46 46 THR H H 46 7.910 8.076 -0.166 1
1 511 . 20 1 1 A 46 46 THR HA H 46 3.500 3.711 -0.211 1
1 516 . 20 1 1 A 46 46 THR C C 46 174.300 176.572 -2.272 1
1 517 . 20 1 1 A 46 46 THR CA C 46 66.600 65.609 0.991 1
1 518 . 20 1 1 A 46 46 THR CB C 46 67.700 68.239 -0.539 1
1 520 . 20 1 1 A 46 46 THR N N 46 117.700 114.543 3.157 1
1 521 . 20 1 1 A 47 47 LEU H H 47 7.710 8.294 -0.584 1
1 522 . 20 1 1 A 47 47 LEU HA H 47 3.510 4.136 -0.626 1
1 532 . 20 1 1 A 47 47 LEU C C 47 178.000 178.176 -0.176 1
1 533 . 20 1 1 A 47 47 LEU CA C 47 57.900 58.379 -0.479 1
1 534 . 20 1 1 A 47 47 LEU CB C 47 41.500 41.415 0.085 1
1 538 . 20 1 1 A 47 47 LEU N N 47 120.400 123.868 -3.468 1
1 539 . 20 1 1 A 48 48 ASP H H 48 9.000 8.393 0.607 1
1 540 . 20 1 1 A 48 48 ASP HA H 48 4.490 4.329 0.161 1
1 543 . 20 1 1 A 48 48 ASP C C 48 179.100 178.516 0.584 1
1 544 . 20 1 1 A 48 48 ASP CA C 48 57.500 57.776 -0.276 1
1 545 . 20 1 1 A 48 48 ASP CB C 48 39.100 41.341 -2.241 1
1 546 . 20 1 1 A 48 48 ASP N N 48 116.800 118.695 -1.895 1
1 547 . 20 1 1 A 49 49 ARG H H 49 7.560 7.975 -0.415 1
1 548 . 20 1 1 A 49 49 ARG HA H 49 4.110 3.915 0.195 1
1 555 . 20 1 1 A 49 49 ARG C C 49 180.100 178.951 1.149 1
1 556 . 20 1 1 A 49 49 ARG CA C 49 60.300 59.523 0.777 1
1 557 . 20 1 1 A 49 49 ARG CB C 49 29.600 29.491 0.109 1
1 560 . 20 1 1 A 49 49 ARG N N 49 122.100 118.860 3.240 1
1 561 . 20 1 1 A 50 50 PHE H H 50 8.300 7.883 0.417 1
1 562 . 20 1 1 A 50 50 PHE HA H 50 4.550 4.330 0.220 1
1 569 . 20 1 1 A 50 50 PHE C C 50 178.400 178.127 0.273 1
1 570 . 20 1 1 A 50 50 PHE CA C 50 57.500 61.074 -3.574 1
1 571 . 20 1 1 A 50 50 PHE CB C 50 36.900 38.533 -1.633 1
1 576 . 20 1 1 A 50 50 PHE N N 50 122.100 119.587 2.513 1
1 577 . 20 1 1 A 51 51 LEU H H 51 8.460 8.496 -0.036 1
1 587 . 20 1 1 A 51 51 LEU CA C 51 55.920 57.676 -1.756 1
1 588 . 20 1 1 A 51 51 LEU CB C 51 42.400 41.354 1.046 1
1 592 . 20 1 1 A 51 51 LEU N N 51 117.000 121.031 -4.031 1
1 593 . 20 1 1 A 52 52 LYS H H 52 7.660 7.986 -0.326 1
1 594 . 20 1 1 A 52 52 LYS HA H 52 4.180 4.147 0.033 1
1 603 . 20 1 1 A 52 52 LYS C C 52 178.300 178.391 -0.091 1
1 604 . 20 1 1 A 52 52 LYS CA C 52 58.700 59.135 -0.435 1
1 605 . 20 1 1 A 52 52 LYS CB C 52 32.700 32.109 0.591 1
1 609 . 20 1 1 A 52 52 LYS N N 52 119.100 120.093 -0.993 1
1 610 . 20 1 1 A 53 53 THR H H 53 7.430 7.291 0.139 1
1 611 . 20 1 1 A 53 53 THR HA H 53 4.570 4.367 0.203 1
1 616 . 20 1 1 A 53 53 THR C C 53 173.800 174.518 -0.718 1
1 617 . 20 1 1 A 53 53 THR CA C 53 62.600 64.139 -1.539 1
1 618 . 20 1 1 A 53 53 THR CB C 53 70.800 70.077 0.723 1
1 620 . 20 1 1 A 53 53 THR N N 53 107.400 110.951 -3.551 1
1 621 . 20 1 1 A 54 54 VAL H H 54 8.500 8.206 0.294 1
1 622 . 20 1 1 A 54 54 VAL HA H 54 4.540 4.580 -0.040 1
1 630 . 20 1 1 A 54 54 VAL C C 54 179.400 173.492 5.908 1
1 631 . 20 1 1 A 54 54 VAL CA C 54 59.100 58.899 0.201 1
1 632 . 20 1 1 A 54 54 VAL CB C 54 33.500 35.249 -1.749 1
1 635 . 20 1 1 A 54 54 VAL N N 54 125.200 119.373 5.827 1
1 636 . 20 1 1 A 55 55 PRO HA H 55 4.590 4.593 -0.003 1
1 643 . 20 1 1 A 55 55 PRO C C 55 179.400 177.652 1.748 1
1 644 . 20 1 1 A 55 55 PRO CA C 55 62.100 62.656 -0.556 1
1 645 . 20 1 1 A 55 55 PRO CB C 55 32.900 32.564 0.336 1
1 648 . 20 1 1 A 56 56 TRP H H 56 8.690 8.831 -0.141 1
1 649 . 20 1 1 A 56 56 TRP HA H 56 3.990 4.292 -0.302 1
1 657 . 20 1 1 A 56 56 TRP C C 56 177.500 177.867 -0.367 1
1 658 . 20 1 1 A 56 56 TRP CA C 56 61.000 60.380 0.620 1
1 659 . 20 1 1 A 56 56 TRP CB C 56 27.400 28.374 -0.974 1
1 664 . 20 1 1 A 56 56 TRP N N 56 122.500 125.227 -2.727 1
1 666 . 20 1 1 A 57 57 GLU H H 57 8.410 7.787 0.623 1
1 667 . 20 1 1 A 57 57 GLU HA H 57 3.270 3.897 -0.627 1
1 672 . 20 1 1 A 57 57 GLU C C 57 178.000 176.917 1.083 1
1 673 . 20 1 1 A 57 57 GLU CA C 57 60.200 58.309 1.891 1
1 674 . 20 1 1 A 57 57 GLU CB C 57 28.200 28.341 -0.141 1
1 676 . 20 1 1 A 57 57 GLU N N 57 120.600 118.520 2.080 1
1 677 . 20 1 1 A 58 58 GLN H H 58 7.600 7.715 -0.115 1
1 678 . 20 1 1 A 58 58 GLN HA H 58 4.170 4.530 -0.360 1
1 683 . 20 1 1 A 58 58 GLN C C 58 175.500 175.862 -0.362 1
1 684 . 20 1 1 A 58 58 GLN CA C 58 56.000 54.849 1.151 1
1 685 . 20 1 1 A 58 58 GLN CB C 58 29.600 29.366 0.234 1
1 687 . 20 1 1 A 58 58 GLN N N 58 114.700 118.400 -3.700 1
1 688 . 20 1 1 A 59 59 LEU H H 59 7.440 7.997 -0.557 1
1 689 . 20 1 1 A 59 59 LEU HA H 59 4.220 4.538 -0.318 1
1 699 . 20 1 1 A 59 59 LEU C C 59 175.100 175.970 -0.870 1
1 700 . 20 1 1 A 59 59 LEU CA C 59 55.600 54.463 1.137 1
1 701 . 20 1 1 A 59 59 LEU CB C 59 44.700 43.758 0.942 1
1 705 . 20 1 1 A 59 59 LEU N N 59 119.500 121.002 -1.502 1
1 706 . 20 1 1 A 60 60 LEU H H 60 8.120 7.131 0.989 1
1 707 . 20 1 1 A 60 60 LEU HA H 60 4.410 4.913 -0.503 1
1 717 . 20 1 1 A 60 60 LEU C C 60 176.100 175.772 0.328 1
1 718 . 20 1 1 A 60 60 LEU CA C 60 55.400 53.463 1.937 1
1 719 . 20 1 1 A 60 60 LEU CB C 60 42.900 45.424 -2.524 1
1 723 . 20 1 1 A 60 60 LEU N N 60 119.300 117.090 2.210 1
1 724 . 20 1 1 A 61 61 ASN H H 61 9.120 8.476 0.644 1
1 729 . 20 1 1 A 61 61 ASN C C 61 175.600 174.989 0.611 1
1 730 . 20 1 1 A 61 61 ASN CA C 61 51.300 53.742 -2.442 1
1 731 . 20 1 1 A 61 61 ASN CB C 61 36.800 39.039 -2.239 1
1 732 . 20 1 1 A 61 61 ASN N N 61 124.900 118.310 6.590 1
1 734 . 20 1 1 A 62 62 ARG H H 62 8.140 8.898 -0.758 1
1 735 . 20 1 1 A 62 62 ARG HA H 62 3.450 4.760 -1.310 1
1 742 . 20 1 1 A 62 62 ARG C C 62 175.200 176.701 -1.501 1
1 743 . 20 1 1 A 62 62 ARG CA C 62 57.600 56.093 1.507 1
1 744 . 20 1 1 A 62 62 ARG CB C 62 30.200 32.399 -2.199 1
1 747 . 20 1 1 A 62 62 ARG N N 62 125.500 120.879 4.621 1
1 748 . 20 1 1 A 63 63 ALA H H 63 7.610 7.753 -0.143 1
1 749 . 20 1 1 A 63 63 ALA HA H 63 4.460 4.303 0.157 1
1 753 . 20 1 1 A 63 63 ALA C C 63 178.300 176.818 1.482 1
1 754 . 20 1 1 A 63 63 ALA CA C 63 51.800 51.721 0.079 1
1 755 . 20 1 1 A 63 63 ALA CB C 63 19.300 18.787 0.513 1
1 756 . 20 1 1 A 63 63 ALA N N 63 118.600 121.079 -2.479 1
1 757 . 20 1 1 A 64 64 GLY H H 64 7.150 8.360 -1.210 1
1 758 . 20 1 1 A 64 64 GLY HA2 H 64 4.410 4.333 0.077 1
1 759 . 20 1 1 A 64 64 GLY HA3 H 64 4.020 4.340 -0.320 1
1 760 . 20 1 1 A 64 64 GLY C C 64 173.500 175.070 -1.570 1
1 761 . 20 1 1 A 64 64 GLY CA C 64 45.400 43.574 1.826 1
1 762 . 20 1 1 A 64 64 GLY N N 64 105.700 107.683 -1.983 1
1 763 . 20 1 1 A 65 65 THR H H 65 8.340 8.853 -0.513 1
1 764 . 20 1 1 A 65 65 THR HA H 65 3.880 4.069 -0.189 1
1 769 . 20 1 1 A 65 65 THR C C 65 176.300 176.433 -0.133 1
1 770 . 20 1 1 A 65 65 THR CA C 65 65.500 65.550 -0.050 1
1 771 . 20 1 1 A 65 65 THR CB C 65 69.000 68.356 0.644 1
1 773 . 20 1 1 A 65 65 THR N N 65 113.400 114.051 -0.651 1
1 774 . 20 1 1 A 66 66 THR H H 66 7.940 8.151 -0.211 1
1 775 . 20 1 1 A 66 66 THR HA H 66 3.820 4.178 -0.358 1
1 780 . 20 1 1 A 66 66 THR C C 66 176.100 176.822 -0.722 1
1 781 . 20 1 1 A 66 66 THR CA C 66 67.000 65.954 1.046 1
1 782 . 20 1 1 A 66 66 THR CB C 66 68.000 68.077 -0.077 1
1 784 . 20 1 1 A 66 66 THR N N 66 116.200 114.219 1.981 1
1 785 . 20 1 1 A 67 67 PHE H H 67 8.720 7.875 0.845 1
1 786 . 20 1 1 A 67 67 PHE HA H 67 4.130 4.199 -0.069 1
1 793 . 20 1 1 A 67 67 PHE C C 67 176.900 177.393 -0.493 1
1 794 . 20 1 1 A 67 67 PHE CA C 67 61.500 60.742 0.758 1
1 795 . 20 1 1 A 67 67 PHE CB C 67 39.800 39.218 0.582 1
1 800 . 20 1 1 A 67 67 PHE N N 67 122.400 123.641 -1.241 1
1 801 . 20 1 1 A 68 68 ARG H H 68 7.750 7.714 0.036 1
1 802 . 20 1 1 A 68 68 ARG HA H 68 3.790 4.370 -0.580 1
1 809 . 20 1 1 A 68 68 ARG C C 68 176.800 177.946 -1.146 1
1 810 . 20 1 1 A 68 68 ARG CA C 68 59.200 57.951 1.249 1
1 811 . 20 1 1 A 68 68 ARG CB C 68 30.200 29.942 0.258 1
1 814 . 20 1 1 A 68 68 ARG N N 68 114.400 117.683 -3.283 1
1 815 . 20 1 1 A 69 69 LYS H H 69 7.360 7.599 -0.239 1
1 816 . 20 1 1 A 69 69 LYS HA H 69 4.190 4.221 -0.031 1
1 819 . 20 1 1 A 69 69 LYS C C 69 177.400 176.294 1.106 1
1 820 . 20 1 1 A 69 69 LYS CA C 69 56.700 58.761 -2.061 1
1 821 . 20 1 1 A 69 69 LYS CB C 69 33.000 32.536 0.464 1
1 825 . 20 1 1 A 69 69 LYS N N 69 115.600 117.260 -1.660 1
1 826 . 20 1 1 A 70 70 LEU H H 70 7.440 7.634 -0.194 1
1 827 . 20 1 1 A 70 70 LEU HA H 70 4.350 4.741 -0.391 1
1 830 . 20 1 1 A 70 70 LEU CA C 70 53.800 51.721 2.079 1
1 831 . 20 1 1 A 70 70 LEU CB C 70 41.000 44.016 -3.016 1
1 832 . 20 1 1 A 70 70 LEU N N 70 121.400 118.208 3.192 1
1 833 . 20 1 1 A 71 71 PRO HA H 71 4.460 4.523 -0.063 1
1 840 . 20 1 1 A 71 71 PRO C C 71 177.500 176.847 0.653 1
1 841 . 20 1 1 A 71 71 PRO CA C 71 62.800 62.278 0.522 1
1 842 . 20 1 1 A 71 71 PRO CB C 71 32.600 33.385 -0.785 1
1 845 . 20 1 1 A 72 72 GLU H H 72 9.010 9.063 -0.053 1
1 846 . 20 1 1 A 72 72 GLU HA H 72 3.650 3.928 -0.278 1
1 851 . 20 1 1 A 72 72 GLU C C 72 177.600 177.959 -0.359 1
1 852 . 20 1 1 A 72 72 GLU CA C 72 60.500 59.693 0.807 1
1 853 . 20 1 1 A 72 72 GLU CB C 72 29.900 29.425 0.475 1
1 855 . 20 1 1 A 72 72 GLU N N 72 124.100 121.444 2.656 1
1 856 . 20 1 1 A 73 73 ASP H H 73 8.860 8.154 0.706 1
1 857 . 20 1 1 A 73 73 ASP HA H 73 4.290 4.356 -0.066 1
1 860 . 20 1 1 A 73 73 ASP C C 73 177.600 178.171 -0.571 1
1 861 . 20 1 1 A 73 73 ASP CA C 73 56.700 57.455 -0.755 1
1 862 . 20 1 1 A 73 73 ASP CB C 73 39.300 42.191 -2.891 1
1 863 . 20 1 1 A 73 73 ASP N N 73 116.200 120.454 -4.254 1
1 864 . 20 1 1 A 74 74 VAL H H 74 7.120 7.517 -0.397 1
1 865 . 20 1 1 A 74 74 VAL HA H 74 3.740 3.749 -0.009 1
1 873 . 20 1 1 A 74 74 VAL C C 74 178.200 177.766 0.434 1
1 874 . 20 1 1 A 74 74 VAL CA C 74 65.000 65.656 -0.656 1
1 875 . 20 1 1 A 74 74 VAL CB C 74 32.100 31.897 0.203 1
1 878 . 20 1 1 A 74 74 VAL N N 74 120.400 119.069 1.331 1
1 879 . 20 1 1 A 75 75 ARG H H 75 7.700 8.592 -0.892 1
1 880 . 20 1 1 A 75 75 ARG HA H 75 3.790 3.714 0.076 1
1 887 . 20 1 1 A 75 75 ARG C C 75 178.500 179.367 -0.867 1
1 888 . 20 1 1 A 75 75 ARG CA C 75 59.600 59.947 -0.347 1
1 889 . 20 1 1 A 75 75 ARG CB C 75 31.100 29.725 1.375 1
1 892 . 20 1 1 A 75 75 ARG N N 75 115.900 120.059 -4.159 1
1 893 . 20 1 1 A 76 76 SER H H 76 8.260 8.695 -0.435 1
1 894 . 20 1 1 A 76 76 SER HA H 76 4.380 4.276 0.104 1
1 897 . 20 1 1 A 76 76 SER C C 76 174.700 175.676 -0.976 1
1 898 . 20 1 1 A 76 76 SER CA C 76 60.500 61.184 -0.684 1
1 899 . 20 1 1 A 76 76 SER CB C 76 63.500 62.866 0.634 1
1 900 . 20 1 1 A 76 76 SER N N 76 111.800 114.179 -2.379 1
1 901 . 20 1 1 A 77 77 ASN H H 77 7.380 7.860 -0.480 1
1 902 . 20 1 1 A 77 77 ASN HA H 77 5.010 4.901 0.109 1
1 907 . 20 1 1 A 77 77 ASN C C 77 174.300 174.884 -0.584 1
1 908 . 20 1 1 A 77 77 ASN CA C 77 52.600 52.943 -0.343 1
1 909 . 20 1 1 A 77 77 ASN CB C 77 39.800 38.585 1.215 1
1 910 . 20 1 1 A 77 77 ASN N N 77 118.000 118.226 -0.226 1
1 912 . 20 1 1 A 78 78 VAL H H 78 7.300 7.231 0.069 1
1 913 . 20 1 1 A 78 78 VAL HA H 78 3.850 3.987 -0.137 1
1 921 . 20 1 1 A 78 78 VAL C C 78 173.200 174.651 -1.451 1
1 922 . 20 1 1 A 78 78 VAL CA C 78 63.600 62.381 1.219 1
1 923 . 20 1 1 A 78 78 VAL CB C 78 32.100 32.134 -0.034 1
1 926 . 20 1 1 A 78 78 VAL N N 78 121.200 121.182 0.018 1
1 927 . 20 1 1 A 79 79 ASP H H 79 7.660 8.371 -0.711 1
1 928 . 20 1 1 A 79 79 ASP HA H 79 4.380 4.788 -0.408 1
1 931 . 20 1 1 A 79 79 ASP C C 79 173.700 175.917 -2.217 1
1 932 . 20 1 1 A 79 79 ASP CA C 79 51.500 52.194 -0.694 1
1 933 . 20 1 1 A 79 79 ASP CB C 79 41.800 42.678 -0.878 1
1 934 . 20 1 1 A 79 79 ASP N N 79 127.000 127.105 -0.105 1
1 935 . 20 1 1 A 80 80 ALA H H 80 8.110 8.662 -0.552 1
1 936 . 20 1 1 A 80 80 ALA HA H 80 2.420 3.688 -1.268 1
1 940 . 20 1 1 A 80 80 ALA C C 80 178.700 179.740 -1.040 1
1 941 . 20 1 1 A 80 80 ALA CA C 80 55.600 55.414 0.186 1
1 942 . 20 1 1 A 80 80 ALA CB C 80 18.600 18.082 0.518 1
1 943 . 20 1 1 A 80 80 ALA N N 80 119.900 121.211 -1.311 1
1 944 . 20 1 1 A 81 81 ALA H H 81 7.760 8.198 -0.438 1
1 945 . 20 1 1 A 81 81 ALA HA H 81 4.030 3.949 0.081 1
1 949 . 20 1 1 A 81 81 ALA C C 81 180.700 179.817 0.883 1
1 950 . 20 1 1 A 81 81 ALA CA C 81 54.800 55.154 -0.354 1
1 951 . 20 1 1 A 81 81 ALA CB C 81 18.300 18.605 -0.305 1
1 952 . 20 1 1 A 81 81 ALA N N 81 118.500 120.129 -1.629 1
1 953 . 20 1 1 A 82 82 SER H H 82 8.480 8.054 0.426 1
1 954 . 20 1 1 A 82 82 SER HA H 82 4.240 3.997 0.243 1
1 957 . 20 1 1 A 82 82 SER C C 82 177.200 176.157 1.043 1
1 958 . 20 1 1 A 82 82 SER CA C 82 60.300 61.907 -1.607 1
1 959 . 20 1 1 A 82 82 SER CB C 82 62.700 62.787 -0.087 1
1 960 . 20 1 1 A 82 82 SER N N 82 115.300 113.395 1.905 1
1 961 . 20 1 1 A 83 83 ALA H H 83 8.970 7.999 0.971 1
1 962 . 20 1 1 A 83 83 ALA HA H 83 3.820 3.915 -0.095 1
1 966 . 20 1 1 A 83 83 ALA C C 83 178.600 180.076 -1.476 1
1 967 . 20 1 1 A 83 83 ALA CA C 83 55.600 55.279 0.321 1
1 968 . 20 1 1 A 83 83 ALA CB C 83 19.400 18.088 1.312 1
1 969 . 20 1 1 A 83 83 ALA N N 83 124.700 123.098 1.602 1
1 970 . 20 1 1 A 84 84 ARG H H 84 7.250 8.416 -1.166 1
1 971 . 20 1 1 A 84 84 ARG HA H 84 3.740 4.104 -0.364 1
1 978 . 20 1 1 A 84 84 ARG C C 84 176.600 178.806 -2.206 1
1 979 . 20 1 1 A 84 84 ARG CA C 84 60.100 59.875 0.225 1
1 980 . 20 1 1 A 84 84 ARG CB C 84 29.900 30.008 -0.108 1
1 983 . 20 1 1 A 84 84 ARG N N 84 116.500 117.685 -1.185 1
1 984 . 20 1 1 A 85 85 GLU H H 85 7.240 8.055 -0.815 1
1 985 . 20 1 1 A 85 85 GLU HA H 85 3.890 4.059 -0.169 1
1 990 . 20 1 1 A 85 85 GLU C C 85 179.800 179.575 0.225 1
1 991 . 20 1 1 A 85 85 GLU CA C 85 59.200 59.196 0.004 1
1 992 . 20 1 1 A 85 85 GLU CB C 85 29.300 29.334 -0.034 1
1 994 . 20 1 1 A 85 85 GLU N N 85 115.600 119.588 -3.988 1
1 995 . 20 1 1 A 86 86 LEU H H 86 8.620 8.341 0.279 1
1 996 . 20 1 1 A 86 86 LEU HA H 86 4.030 4.130 -0.100 1
1 1006 . 20 1 1 A 86 86 LEU C C 86 178.600 179.424 -0.824 1
1 1007 . 20 1 1 A 86 86 LEU CA C 86 58.100 57.657 0.443 1
1 1008 . 20 1 1 A 86 86 LEU CB C 86 42.200 41.133 1.067 1
1 1012 . 20 1 1 A 86 86 LEU N N 86 120.800 120.328 0.472 1
1 1013 . 20 1 1 A 87 87 MET H H 87 7.840 8.380 -0.540 1
1 1014 . 20 1 1 A 87 87 MET HA H 87 3.680 4.206 -0.526 1
1 1022 . 20 1 1 A 87 87 MET C C 87 175.600 178.645 -3.045 1
1 1023 . 20 1 1 A 87 87 MET CA C 87 60.000 58.553 1.447 1
1 1024 . 20 1 1 A 87 87 MET CB C 87 34.300 33.489 0.811 1
1 1027 . 20 1 1 A 87 87 MET N N 87 116.700 117.012 -0.312 1
1 1028 . 20 1 1 A 88 88 LEU H H 88 7.490 8.294 -0.804 1
1 1029 . 20 1 1 A 88 88 LEU HA H 88 3.890 4.116 -0.226 1
1 1039 . 20 1 1 A 88 88 LEU C C 88 179.200 178.487 0.713 1
1 1040 . 20 1 1 A 88 88 LEU CA C 88 57.000 57.850 -0.850 1
1 1041 . 20 1 1 A 88 88 LEU CB C 88 41.800 41.351 0.449 1
1 1045 . 20 1 1 A 88 88 LEU N N 88 113.400 121.126 -7.726 1
1 1046 . 20 1 1 A 89 89 ALA H H 89 7.690 7.790 -0.100 1
1 1047 . 20 1 1 A 89 89 ALA HA H 89 4.210 4.264 -0.054 1
1 1051 . 20 1 1 A 89 89 ALA C C 89 179.100 178.036 1.064 1
1 1052 . 20 1 1 A 89 89 ALA CA C 89 54.100 54.492 -0.392 1
1 1053 . 20 1 1 A 89 89 ALA CB C 89 19.200 19.441 -0.241 1
1 1054 . 20 1 1 A 89 89 ALA N N 89 119.100 119.929 -0.829 1
1 1055 . 20 1 1 A 90 90 GLN H H 90 8.100 8.081 0.019 1
1 1062 . 20 1 1 A 90 90 GLN CA C 90 53.400 53.148 0.252 1
1 1063 . 20 1 1 A 90 90 GLN CB C 90 30.900 28.683 2.217 1
1 1064 . 20 1 1 A 90 90 GLN N N 90 115.100 115.265 -0.165 1
1 1066 . 20 1 1 A 91 91 PRO HA H 91 4.530 4.439 0.091 1
1 1073 . 20 1 1 A 91 91 PRO C C 91 178.300 177.335 0.965 1
1 1074 . 20 1 1 A 91 91 PRO CA C 91 64.300 64.196 0.104 1
1 1075 . 20 1 1 A 91 91 PRO CB C 91 31.800 31.980 -0.180 1
1 1078 . 20 1 1 A 92 92 SER H H 92 8.510 8.278 0.232 1
1 1079 . 20 1 1 A 92 92 SER HA H 92 4.310 3.834 0.476 1
1 1082 . 20 1 1 A 92 92 SER C C 92 174.200 175.319 -1.119 1
1 1083 . 20 1 1 A 92 92 SER CA C 92 62.000 60.567 1.433 1
1 1084 . 20 1 1 A 92 92 SER CB C 92 62.500 62.175 0.325 1
1 1085 . 20 1 1 A 92 92 SER N N 92 115.000 114.337 0.663 1
1 1086 . 20 1 1 A 93 93 MET H H 93 8.790 7.547 1.243 1
1 1087 . 20 1 1 A 93 93 MET HA H 93 4.560 4.352 0.208 1
1 1092 . 20 1 1 A 93 93 MET C C 93 174.900 176.567 -1.667 1
1 1093 . 20 1 1 A 93 93 MET CA C 93 56.900 56.594 0.306 1
1 1094 . 20 1 1 A 93 93 MET CB C 93 35.000 32.584 2.416 1
1 1096 . 20 1 1 A 93 93 MET N N 93 118.400 117.809 0.591 1
1 1097 . 20 1 1 A 94 94 VAL H H 94 7.540 7.642 -0.102 1
1 1098 . 20 1 1 A 94 94 VAL HA H 94 4.080 3.973 0.107 1
1 1106 . 20 1 1 A 94 94 VAL C C 94 178.000 176.138 1.862 1
1 1107 . 20 1 1 A 94 94 VAL CA C 94 63.100 63.279 -0.179 1
1 1108 . 20 1 1 A 94 94 VAL CB C 94 31.700 31.812 -0.112 1
1 1111 . 20 1 1 A 94 94 VAL N N 94 121.000 123.163 -2.163 1
1 1112 . 20 1 1 A 95 95 LYS H H 95 9.550 8.749 0.801 1
1 1113 . 20 1 1 A 95 95 LYS HA H 95 3.940 4.222 -0.282 1
1 1116 . 20 1 1 A 95 95 LYS CA C 95 58.800 56.881 1.919 1
1 1117 . 20 1 1 A 95 95 LYS CB C 95 33.500 33.290 0.210 1
1 1121 . 20 1 1 A 95 95 LYS N N 95 131.200 125.923 5.277 1
1 1122 . 20 1 1 A 96 96 ARG H H 96 8.260 8.760 -0.500 1
1 1125 . 20 1 1 A 96 96 ARG CA C 96 52.700 54.458 -1.758 1
1 1126 . 20 1 1 A 96 96 ARG CB C 96 34.400 32.783 1.617 1
1 1127 . 20 1 1 A 96 96 ARG N N 96 117.100 121.172 -4.072 1
1 1134 . 20 1 1 A 97 97 PRO C C 97 176.600 175.352 1.248 1
1 1135 . 20 1 1 A 97 97 PRO CA C 97 62.400 62.436 -0.036 1
1 1136 . 20 1 1 A 97 97 PRO CB C 97 34.700 32.688 2.012 1
1 1139 . 20 1 1 A 98 98 VAL H H 98 7.540 8.212 -0.672 1
1 1140 . 20 1 1 A 98 98 VAL HA H 98 4.460 4.789 -0.329 1
1 1148 . 20 1 1 A 98 98 VAL C C 98 173.500 174.601 -1.101 1
1 1149 . 20 1 1 A 98 98 VAL CA C 98 64.000 60.582 3.418 1
1 1150 . 20 1 1 A 98 98 VAL CB C 98 33.600 34.555 -0.955 1
1 1153 . 20 1 1 A 98 98 VAL N N 98 117.800 120.966 -3.166 1
1 1154 . 20 1 1 A 99 99 LEU H H 99 9.030 9.147 -0.117 1
1 1155 . 20 1 1 A 99 99 LEU HA H 99 5.410 5.358 0.052 1
1 1165 . 20 1 1 A 99 99 LEU C C 99 173.800 175.069 -1.269 1
1 1166 . 20 1 1 A 99 99 LEU CA C 99 54.300 52.856 1.444 1
1 1167 . 20 1 1 A 99 99 LEU CB C 99 45.800 44.052 1.748 1
1 1171 . 20 1 1 A 99 99 LEU N N 99 131.400 126.929 4.471 1
1 1172 . 20 1 1 A 100 100 GLU H H 100 9.390 9.169 0.221 1
1 1173 . 20 1 1 A 100 100 GLU HA H 100 5.050 5.306 -0.256 1
1 1178 . 20 1 1 A 100 100 GLU C C 100 174.200 175.117 -0.917 1
1 1179 . 20 1 1 A 100 100 GLU CA C 100 55.300 54.999 0.301 1
1 1180 . 20 1 1 A 100 100 GLU CB C 100 35.600 33.150 2.450 1
1 1182 . 20 1 1 A 100 100 GLU N N 100 125.800 126.245 -0.445 1
1 1183 . 20 1 1 A 101 101 ARG H H 101 7.610 8.342 -0.732 1
1 1184 . 20 1 1 A 101 101 ARG C C 101 175.900 174.650 1.250 1
1 1185 . 20 1 1 A 101 101 ARG CA C 101 56.700 55.302 1.398 1
1 1186 . 20 1 1 A 101 101 ARG CB C 101 32.500 32.721 -0.221 1
1 1189 . 20 1 1 A 101 101 ARG N N 101 125.100 124.089 1.011 1
1 1190 . 20 1 1 A 102 102 ASP H H 102 10.080 9.344 0.736 1
1 1191 . 20 1 1 A 102 102 ASP HA H 102 4.450 4.385 0.065 1
1 1194 . 20 1 1 A 102 102 ASP C C 102 175.700 176.253 -0.553 1
1 1195 . 20 1 1 A 102 102 ASP CA C 102 55.300 55.364 -0.064 1
1 1196 . 20 1 1 A 102 102 ASP CB C 102 40.500 39.511 0.989 1
1 1197 . 20 1 1 A 102 102 ASP N N 102 132.000 121.970 10.030 1
1 1198 . 20 1 1 A 103 103 GLY H H 103 8.870 8.373 0.497 1
1 1199 . 20 1 1 A 103 103 GLY HA2 H 103 4.120 3.922 0.198 1
1 1200 . 20 1 1 A 103 103 GLY HA3 H 103 3.830 3.927 -0.097 1
1 1201 . 20 1 1 A 103 103 GLY C C 103 174.000 174.274 -0.274 1
1 1202 . 20 1 1 A 103 103 GLY CA C 103 45.600 45.214 0.386 1
1 1203 . 20 1 1 A 103 103 GLY N N 103 102.900 104.681 -1.781 1
1 1204 . 20 1 1 A 104 104 LYS H H 104 8.130 7.444 0.686 1
1 1205 . 20 1 1 A 104 104 LYS HA H 104 4.650 4.347 0.303 1
1 1208 . 20 1 1 A 104 104 LYS C C 104 176.500 175.587 0.913 1
1 1209 . 20 1 1 A 104 104 LYS CA C 104 55.500 57.015 -1.515 1
1 1210 . 20 1 1 A 104 104 LYS CB C 104 32.600 33.292 -0.692 1
1 1214 . 20 1 1 A 104 104 LYS N N 104 122.400 121.224 1.176 1
1 1215 . 20 1 1 A 105 105 LEU H H 105 8.920 8.708 0.212 1
1 1216 . 20 1 1 A 105 105 LEU HA H 105 5.420 5.186 0.234 1
1 1226 . 20 1 1 A 105 105 LEU C C 105 177.200 175.246 1.954 1
1 1227 . 20 1 1 A 105 105 LEU CA C 105 54.300 53.688 0.612 1
1 1228 . 20 1 1 A 105 105 LEU CB C 105 45.400 44.808 0.592 1
1 1232 . 20 1 1 A 105 105 LEU N N 105 129.200 127.395 1.805 1
1 1233 . 20 1 1 A 106 106 MET H H 106 8.860 8.861 -0.001 1
1 1234 . 20 1 1 A 106 106 MET HA H 106 4.580 5.166 -0.586 1
1 1239 . 20 1 1 A 106 106 MET C C 106 174.500 173.946 0.554 1
1 1240 . 20 1 1 A 106 106 MET CA C 106 55.300 54.340 0.960 1
1 1241 . 20 1 1 A 106 106 MET CB C 106 36.500 35.908 0.592 1
1 1243 . 20 1 1 A 106 106 MET N N 106 121.500 124.788 -3.288 1
1 1244 . 20 1 1 A 107 107 VAL H H 107 9.180 8.665 0.515 1
1 1245 . 20 1 1 A 107 107 VAL HA H 107 4.690 4.468 0.222 1
1 1253 . 20 1 1 A 107 107 VAL C C 107 176.200 176.549 -0.349 1
1 1254 . 20 1 1 A 107 107 VAL CA C 107 61.400 61.517 -0.117 1
1 1255 . 20 1 1 A 107 107 VAL CB C 107 33.400 33.454 -0.054 1
1 1258 . 20 1 1 A 107 107 VAL N N 107 129.500 125.057 4.443 1
1 1259 . 20 1 1 A 108 108 GLY H H 108 8.730 8.445 0.285 1
1 1260 . 20 1 1 A 108 108 GLY HA2 H 108 4.430 3.890 0.540 1
1 1261 . 20 1 1 A 108 108 GLY HA3 H 108 3.850 3.911 -0.061 1
1 1262 . 20 1 1 A 108 108 GLY CA C 108 43.800 44.872 -1.072 1
1 1263 . 20 1 1 A 108 108 GLY N N 108 113.600 115.529 -1.929 1
1 1271 . 20 1 1 A 109 109 PHE C C 109 172.700 175.195 -2.495 1
1 1272 . 20 1 1 A 109 109 PHE CA C 109 58.900 56.476 2.424 1
1 1273 . 20 1 1 A 109 109 PHE CB C 109 42.100 43.303 -1.203 1
1 1279 . 20 1 1 A 110 110 LYS H H 110 6.510 8.569 -2.059 1
1 1282 . 20 1 1 A 110 110 LYS CA C 110 53.500 55.181 -1.681 1
1 1283 . 20 1 1 A 110 110 LYS CB C 110 34.800 31.968 2.832 1
1 1284 . 20 1 1 A 110 110 LYS N N 110 126.600 121.268 5.332 1
1 1285 . 20 1 1 A 111 111 PRO HA H 111 3.360 4.098 -0.738 1
1 1292 . 20 1 1 A 111 111 PRO C C 111 177.100 178.558 -1.458 1
1 1293 . 20 1 1 A 111 111 PRO CA C 111 66.600 65.764 0.836 1
1 1294 . 20 1 1 A 111 111 PRO CB C 111 31.700 31.722 -0.022 1
1 1297 . 20 1 1 A 112 112 ALA H H 112 8.450 8.303 0.147 1
1 1298 . 20 1 1 A 112 112 ALA HA H 112 4.140 4.074 0.066 1
1 1302 . 20 1 1 A 112 112 ALA C C 112 180.300 180.652 -0.352 1
1 1303 . 20 1 1 A 112 112 ALA CA C 112 54.900 55.383 -0.483 1
1 1304 . 20 1 1 A 112 112 ALA CB C 112 18.800 18.490 0.310 1
1 1305 . 20 1 1 A 112 112 ALA N N 112 116.200 118.595 -2.395 1
1 1306 . 20 1 1 A 113 113 GLN H H 113 6.880 7.724 -0.844 1
1 1307 . 20 1 1 A 113 113 GLN HA H 113 4.130 4.042 0.088 1
1 1314 . 20 1 1 A 113 113 GLN C C 113 178.400 178.196 0.204 1
1 1315 . 20 1 1 A 113 113 GLN CA C 113 60.100 59.061 1.039 1
1 1316 . 20 1 1 A 113 113 GLN CB C 113 29.100 28.617 0.483 1
1 1318 . 20 1 1 A 113 113 GLN N N 113 118.200 117.639 0.561 1
1 1320 . 20 1 1 A 114 114 TYR H H 114 7.600 8.231 -0.631 1
1 1321 . 20 1 1 A 114 114 TYR HA H 114 3.800 4.172 -0.372 1
1 1328 . 20 1 1 A 114 114 TYR C C 114 177.100 178.232 -1.132 1
1 1329 . 20 1 1 A 114 114 TYR CA C 114 61.700 61.449 0.251 1
1 1330 . 20 1 1 A 114 114 TYR CB C 114 33.200 38.508 -5.308 1
1 1335 . 20 1 1 A 114 114 TYR N N 114 124.900 121.267 3.633 1
1 1336 . 20 1 1 A 115 115 GLU H H 115 8.610 8.471 0.139 1
1 1337 . 20 1 1 A 115 115 GLU HA H 115 4.160 4.265 -0.105 1
1 1342 . 20 1 1 A 115 115 GLU C C 115 178.800 179.316 -0.516 1
1 1343 . 20 1 1 A 115 115 GLU CA C 115 60.100 59.712 0.388 1
1 1344 . 20 1 1 A 115 115 GLU CB C 115 30.000 30.034 -0.034 1
1 1346 . 20 1 1 A 115 115 GLU N N 115 119.300 118.753 0.547 1
1 1347 . 20 1 1 A 116 116 ALA H H 116 7.390 8.086 -0.696 1
1 1348 . 20 1 1 A 116 116 ALA HA H 116 4.210 4.193 0.017 1
1 1352 . 20 1 1 A 116 116 ALA C C 116 179.700 179.595 0.105 1
1 1353 . 20 1 1 A 116 116 ALA CA C 116 54.600 54.922 -0.322 1
1 1354 . 20 1 1 A 116 116 ALA CB C 116 18.200 18.185 0.015 1
1 1355 . 20 1 1 A 116 116 ALA N N 116 118.200 122.403 -4.203 1
1 1356 . 20 1 1 A 117 117 TYR H H 117 7.780 8.161 -0.381 1
1 1357 . 20 1 1 A 117 117 TYR HA H 117 3.890 4.179 -0.289 1
1 1364 . 20 1 1 A 117 117 TYR C C 117 177.300 177.527 -0.227 1
1 1365 . 20 1 1 A 117 117 TYR CA C 117 61.100 61.445 -0.345 1
1 1366 . 20 1 1 A 117 117 TYR CB C 117 39.200 38.456 0.744 1
1 1371 . 20 1 1 A 117 117 TYR N N 117 120.200 119.802 0.398 1
1 1372 . 20 1 1 A 118 118 PHE H H 118 7.960 8.129 -0.169 1
1 1379 . 20 1 1 A 118 118 PHE C C 118 174.900 175.795 -0.895 1
1 1380 . 20 1 1 A 118 118 PHE CA C 118 57.850 60.951 -3.101 1
1 1381 . 20 1 1 A 118 118 PHE CB C 118 39.100 39.494 -0.394 1
1 1386 . 20 1 1 A 118 118 PHE N N 118 113.100 120.521 -7.421 1
1 1387 . 20 1 1 A 119 119 LYS H H 119 7.670 7.323 0.347 1
1 1388 . 20 1 1 A 119 119 LYS HA H 119 4.210 4.781 -0.571 1
1 1397 . 20 1 1 A 119 119 LYS CA C 119 57.300 54.986 2.314 1
1 1398 . 20 1 1 A 119 119 LYS CB C 119 31.200 34.280 -3.080 1
1 1402 . 20 1 1 A 119 119 LYS N N 119 120.200 119.066 1.134 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 101 1.369 1
2 1 1 1 "RMS(OBS, PRED)" CA 118 1.350 1
3 1 1 1 "RMS(OBS, PRED)" CB 111 1.282 1
4 1 1 1 "RMS(OBS, PRED)" H 110 0.665 1
5 1 1 1 "RMS(OBS, PRED)" HA 115 0.370 1
6 1 1 1 "RMS(OBS, PRED)" N 110 3.281 1
7 1 2 1 "RMS(OBS, PRED)" C 101 1.380 1
8 1 2 1 "RMS(OBS, PRED)" CA 118 1.396 1
9 1 2 1 "RMS(OBS, PRED)" CB 111 1.282 1
10 1 2 1 "RMS(OBS, PRED)" H 110 0.673 1
11 1 2 1 "RMS(OBS, PRED)" HA 115 0.366 1
12 1 2 1 "RMS(OBS, PRED)" N 110 3.586 1
13 1 3 1 "RMS(OBS, PRED)" C 101 1.395 1
14 1 3 1 "RMS(OBS, PRED)" CA 118 1.432 1
15 1 3 1 "RMS(OBS, PRED)" CB 111 1.370 1
16 1 3 1 "RMS(OBS, PRED)" H 110 0.656 1
17 1 3 1 "RMS(OBS, PRED)" HA 115 0.389 1
18 1 3 1 "RMS(OBS, PRED)" N 110 3.436 1
19 1 4 1 "RMS(OBS, PRED)" C 101 1.384 1
20 1 4 1 "RMS(OBS, PRED)" CA 118 1.284 1
21 1 4 1 "RMS(OBS, PRED)" CB 111 1.295 1
22 1 4 1 "RMS(OBS, PRED)" H 110 0.646 1
23 1 4 1 "RMS(OBS, PRED)" HA 115 0.349 1
24 1 4 1 "RMS(OBS, PRED)" N 110 3.157 1
25 1 5 1 "RMS(OBS, PRED)" C 101 1.364 1
26 1 5 1 "RMS(OBS, PRED)" CA 118 1.319 1
27 1 5 1 "RMS(OBS, PRED)" CB 111 1.246 1
28 1 5 1 "RMS(OBS, PRED)" H 110 0.641 1
29 1 5 1 "RMS(OBS, PRED)" HA 115 0.359 1
30 1 5 1 "RMS(OBS, PRED)" N 110 3.219 1
31 1 6 1 "RMS(OBS, PRED)" C 101 1.334 1
32 1 6 1 "RMS(OBS, PRED)" CA 118 1.376 1
33 1 6 1 "RMS(OBS, PRED)" CB 111 1.248 1
34 1 6 1 "RMS(OBS, PRED)" H 110 0.627 1
35 1 6 1 "RMS(OBS, PRED)" HA 115 0.362 1
36 1 6 1 "RMS(OBS, PRED)" N 110 3.235 1
37 1 7 1 "RMS(OBS, PRED)" C 101 1.396 1
38 1 7 1 "RMS(OBS, PRED)" CA 118 1.366 1
39 1 7 1 "RMS(OBS, PRED)" CB 111 1.251 1
40 1 7 1 "RMS(OBS, PRED)" H 110 0.670 1
41 1 7 1 "RMS(OBS, PRED)" HA 115 0.350 1
42 1 7 1 "RMS(OBS, PRED)" N 110 3.281 1
43 1 8 1 "RMS(OBS, PRED)" C 101 1.427 1
44 1 8 1 "RMS(OBS, PRED)" CA 118 1.362 1
45 1 8 1 "RMS(OBS, PRED)" CB 111 1.263 1
46 1 8 1 "RMS(OBS, PRED)" H 110 0.645 1
47 1 8 1 "RMS(OBS, PRED)" HA 115 0.366 1
48 1 8 1 "RMS(OBS, PRED)" N 110 3.210 1
49 1 9 1 "RMS(OBS, PRED)" C 101 1.385 1
50 1 9 1 "RMS(OBS, PRED)" CA 118 1.400 1
51 1 9 1 "RMS(OBS, PRED)" CB 111 1.329 1
52 1 9 1 "RMS(OBS, PRED)" H 110 0.651 1
53 1 9 1 "RMS(OBS, PRED)" HA 115 0.357 1
54 1 9 1 "RMS(OBS, PRED)" N 110 3.332 1
55 1 10 1 "RMS(OBS, PRED)" C 101 1.391 1
56 1 10 1 "RMS(OBS, PRED)" CA 118 1.374 1
57 1 10 1 "RMS(OBS, PRED)" CB 111 1.332 1
58 1 10 1 "RMS(OBS, PRED)" H 110 0.625 1
59 1 10 1 "RMS(OBS, PRED)" HA 115 0.376 1
60 1 10 1 "RMS(OBS, PRED)" N 110 3.276 1
61 1 11 1 "RMS(OBS, PRED)" C 101 1.406 1
62 1 11 1 "RMS(OBS, PRED)" CA 118 1.401 1
63 1 11 1 "RMS(OBS, PRED)" CB 111 1.364 1
64 1 11 1 "RMS(OBS, PRED)" H 110 0.638 1
65 1 11 1 "RMS(OBS, PRED)" HA 115 0.375 1
66 1 11 1 "RMS(OBS, PRED)" N 110 3.417 1
67 1 12 1 "RMS(OBS, PRED)" C 101 1.410 1
68 1 12 1 "RMS(OBS, PRED)" CA 118 1.327 1
69 1 12 1 "RMS(OBS, PRED)" CB 111 1.267 1
70 1 12 1 "RMS(OBS, PRED)" H 110 0.635 1
71 1 12 1 "RMS(OBS, PRED)" HA 115 0.385 1
72 1 12 1 "RMS(OBS, PRED)" N 110 3.098 1
73 1 13 1 "RMS(OBS, PRED)" C 101 1.390 1
74 1 13 1 "RMS(OBS, PRED)" CA 118 1.385 1
75 1 13 1 "RMS(OBS, PRED)" CB 111 1.294 1
76 1 13 1 "RMS(OBS, PRED)" H 110 0.642 1
77 1 13 1 "RMS(OBS, PRED)" HA 115 0.388 1
78 1 13 1 "RMS(OBS, PRED)" N 110 3.266 1
79 1 14 1 "RMS(OBS, PRED)" C 101 1.387 1
80 1 14 1 "RMS(OBS, PRED)" CA 118 1.325 1
81 1 14 1 "RMS(OBS, PRED)" CB 111 1.315 1
82 1 14 1 "RMS(OBS, PRED)" H 110 0.638 1
83 1 14 1 "RMS(OBS, PRED)" HA 115 0.366 1
84 1 14 1 "RMS(OBS, PRED)" N 110 3.310 1
85 1 15 1 "RMS(OBS, PRED)" C 101 1.389 1
86 1 15 1 "RMS(OBS, PRED)" CA 118 1.323 1
87 1 15 1 "RMS(OBS, PRED)" CB 111 1.273 1
88 1 15 1 "RMS(OBS, PRED)" H 110 0.644 1
89 1 15 1 "RMS(OBS, PRED)" HA 115 0.373 1
90 1 15 1 "RMS(OBS, PRED)" N 110 3.406 1
91 1 16 1 "RMS(OBS, PRED)" C 101 1.400 1
92 1 16 1 "RMS(OBS, PRED)" CA 118 1.373 1
93 1 16 1 "RMS(OBS, PRED)" CB 111 1.434 1
94 1 16 1 "RMS(OBS, PRED)" H 110 0.641 1
95 1 16 1 "RMS(OBS, PRED)" HA 115 0.381 1
96 1 16 1 "RMS(OBS, PRED)" N 110 3.716 1
97 1 17 1 "RMS(OBS, PRED)" C 101 1.456 1
98 1 17 1 "RMS(OBS, PRED)" CA 118 1.286 1
99 1 17 1 "RMS(OBS, PRED)" CB 111 1.442 1
100 1 17 1 "RMS(OBS, PRED)" H 110 0.601 1
101 1 17 1 "RMS(OBS, PRED)" HA 115 0.354 1
102 1 17 1 "RMS(OBS, PRED)" N 110 3.369 1
103 1 18 1 "RMS(OBS, PRED)" C 101 1.367 1
104 1 18 1 "RMS(OBS, PRED)" CA 118 1.376 1
105 1 18 1 "RMS(OBS, PRED)" CB 111 1.262 1
106 1 18 1 "RMS(OBS, PRED)" H 110 0.640 1
107 1 18 1 "RMS(OBS, PRED)" HA 115 0.377 1
108 1 18 1 "RMS(OBS, PRED)" N 110 3.449 1
109 1 19 1 "RMS(OBS, PRED)" C 101 1.346 1
110 1 19 1 "RMS(OBS, PRED)" CA 118 1.368 1
111 1 19 1 "RMS(OBS, PRED)" CB 111 1.357 1
112 1 19 1 "RMS(OBS, PRED)" H 110 0.645 1
113 1 19 1 "RMS(OBS, PRED)" HA 115 0.369 1
114 1 19 1 "RMS(OBS, PRED)" N 110 3.385 1
115 1 20 1 "RMS(OBS, PRED)" C 101 1.354 1
116 1 20 1 "RMS(OBS, PRED)" CA 118 1.351 1
117 1 20 1 "RMS(OBS, PRED)" CB 111 1.337 1
118 1 20 1 "RMS(OBS, PRED)" H 110 0.628 1
119 1 20 1 "RMS(OBS, PRED)" HA 115 0.392 1
120 1 20 1 "RMS(OBS, PRED)" N 110 3.283 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 1 . 1 1 A 2 2 PRO HA H 2 4.500 4.502 -0.002 2
1 8 . 1 1 A 2 2 PRO C C 2 177.500 176.585 0.915 2
1 9 . 1 1 A 2 2 PRO CA C 2 63.500 63.176 0.324 2
1 10 . 1 1 A 2 2 PRO CB C 2 32.200 32.536 -0.336 2
1 13 . 1 1 A 3 3 GLY H H 3 8.113 8.362 -0.249 2
1 14 . 1 1 A 3 3 GLY HA2 H 3 4.060 4.112 -0.052 2
1 15 . 1 1 A 3 3 GLY HA3 H 3 4.030 4.118 -0.088 2
1 16 . 1 1 A 3 3 GLY CA C 3 45.300 45.579 -0.279 2
1 17 . 1 1 A 3 3 GLY N N 3 110.500 109.131 1.369 2
1 18 . 1 1 A 4 4 SER H H 4 8.280 8.548 -0.268 2
1 19 . 1 1 A 4 4 SER HA H 4 4.520 4.318 0.202 2
1 22 . 1 1 A 4 4 SER C C 4 178.100 174.915 3.185 2
1 23 . 1 1 A 4 4 SER CA C 4 58.600 61.140 -2.540 2
1 24 . 1 1 A 4 4 SER CB C 4 63.800 63.513 0.287 2
1 25 . 1 1 A 4 4 SER N N 4 115.900 117.485 -1.585 2
1 26 . 1 1 A 5 5 MET H H 5 8.680 7.883 0.797 2
1 27 . 1 1 A 5 5 MET HA H 5 4.700 4.725 -0.025 2
1 32 . 1 1 A 5 5 MET C C 5 174.800 175.077 -0.277 2
1 33 . 1 1 A 5 5 MET CA C 5 54.900 54.888 0.012 2
1 34 . 1 1 A 5 5 MET CB C 5 32.500 34.169 -1.669 2
1 36 . 1 1 A 5 5 MET N N 5 121.500 119.314 2.187 2
1 37 . 1 1 A 6 6 SER H H 6 8.220 8.624 -0.404 2
1 38 . 1 1 A 6 6 SER HA H 6 4.580 5.039 -0.459 2
1 41 . 1 1 A 6 6 SER C C 6 174.200 172.992 1.208 2
1 42 . 1 1 A 6 6 SER CA C 6 59.100 56.974 2.126 2
1 43 . 1 1 A 6 6 SER CB C 6 63.800 65.122 -1.322 2
1 44 . 1 1 A 6 6 SER N N 6 117.000 116.481 0.519 2
1 45 . 1 1 A 7 7 VAL H H 7 8.750 8.543 0.207 2
1 46 . 1 1 A 7 7 VAL HA H 7 4.840 4.635 0.205 2
1 54 . 1 1 A 7 7 VAL C C 7 175.800 174.622 1.178 2
1 55 . 1 1 A 7 7 VAL CA C 7 61.800 60.722 1.078 2
1 56 . 1 1 A 7 7 VAL CB C 7 33.800 33.680 0.120 2
1 59 . 1 1 A 7 7 VAL N N 7 124.100 123.587 0.513 2
1 60 . 1 1 A 8 8 THR H H 8 8.880 8.406 0.474 2
1 61 . 1 1 A 8 8 THR HA H 8 5.360 4.910 0.450 2
1 66 . 1 1 A 8 8 THR C C 8 172.500 172.767 -0.267 2
1 67 . 1 1 A 8 8 THR CA C 8 61.700 61.622 0.078 2
1 68 . 1 1 A 8 8 THR CB C 8 70.600 70.639 -0.039 2
1 70 . 1 1 A 8 8 THR N N 8 124.500 122.147 2.353 2
1 71 . 1 1 A 9 9 ILE H H 9 9.170 9.253 -0.083 2
1 72 . 1 1 A 9 9 ILE HA H 9 5.610 5.559 0.052 2
1 82 . 1 1 A 9 9 ILE C C 9 172.500 173.070 -0.570 2
1 83 . 1 1 A 9 9 ILE CA C 9 58.300 58.548 -0.248 2
1 84 . 1 1 A 9 9 ILE CB C 9 42.400 41.516 0.884 2
1 88 . 1 1 A 9 9 ILE N N 9 123.900 128.177 -4.277 2
1 89 . 1 1 A 10 10 TYR H H 10 9.740 9.343 0.397 2
1 90 . 1 1 A 10 10 TYR HA H 10 5.410 5.686 -0.276 2
1 95 . 1 1 A 10 10 TYR C C 10 177.500 175.953 1.547 2
1 96 . 1 1 A 10 10 TYR CA C 10 56.500 55.796 0.704 2
1 97 . 1 1 A 10 10 TYR CB C 10 40.300 41.082 -0.782 2
1 100 . 1 1 A 10 10 TYR N N 10 125.300 128.140 -2.840 2
1 101 . 1 1 A 11 11 GLY H H 11 7.880 8.483 -0.603 2
1 102 . 1 1 A 11 11 GLY HA2 H 11 4.700 4.427 0.273 2
1 103 . 1 1 A 11 11 GLY HA3 H 11 4.700 4.498 0.202 2
1 104 . 1 1 A 11 11 GLY C C 11 170.000 172.551 -2.551 2
1 105 . 1 1 A 11 11 GLY CA C 11 46.700 46.013 0.687 2
1 106 . 1 1 A 11 11 GLY N N 11 108.600 109.738 -1.138 2
1 107 . 1 1 A 12 12 ILE H H 12 6.340 8.786 -2.446 2
1 108 . 1 1 A 12 12 ILE HA H 12 5.330 5.234 0.096 2
1 118 . 1 1 A 12 12 ILE C C 12 175.100 175.782 -0.682 2
1 119 . 1 1 A 12 12 ILE CA C 12 59.300 58.845 0.455 2
1 120 . 1 1 A 12 12 ILE CB C 12 41.000 41.973 -0.973 2
1 124 . 1 1 A 12 12 ILE N N 12 113.300 118.152 -4.852 2
1 125 . 1 1 A 13 13 LYS H H 13 9.450 8.814 0.636 2
1 126 . 1 1 A 13 13 LYS HA H 13 4.090 4.489 -0.399 2
1 129 . 1 1 A 13 13 LYS C C 13 177.800 176.808 0.992 2
1 130 . 1 1 A 13 13 LYS CA C 13 59.200 57.044 2.156 2
1 131 . 1 1 A 13 13 LYS CB C 13 33.600 33.147 0.453 2
1 133 . 1 1 A 13 13 LYS N N 13 120.900 121.534 -0.634 2
1 134 . 1 1 A 14 14 ASN H H 14 8.700 8.098 0.602 2
1 135 . 1 1 A 14 14 ASN HA H 14 4.690 4.803 -0.113 2
1 140 . 1 1 A 14 14 ASN C C 14 173.100 174.153 -1.053 2
1 141 . 1 1 A 14 14 ASN CA C 14 52.700 52.718 -0.018 2
1 142 . 1 1 A 14 14 ASN CB C 14 36.300 37.730 -1.429 2
1 143 . 1 1 A 14 14 ASN N N 14 116.600 117.195 -0.595 2
1 145 . 1 1 A 15 15 CYS H H 15 7.440 7.775 -0.335 2
1 146 . 1 1 A 15 15 CYS HA H 15 4.510 4.830 -0.320 2
1 149 . 1 1 A 15 15 CYS CA C 15 59.100 57.705 1.395 2
1 150 . 1 1 A 15 15 CYS CB C 15 30.800 30.880 -0.080 2
1 151 . 1 1 A 15 15 CYS N N 15 124.400 120.116 4.284 2
1 152 . 1 1 A 16 16 ASP HA H 16 4.460 4.586 -0.126 2
1 155 . 1 1 A 16 16 ASP C C 16 178.000 178.013 -0.013 2
1 156 . 1 1 A 16 16 ASP CA C 16 57.500 55.610 1.890 2
1 157 . 1 1 A 16 16 ASP CB C 16 41.400 41.430 -0.030 2
1 158 . 1 1 A 17 17 THR H H 17 9.210 7.971 1.239 2
1 159 . 1 1 A 17 17 THR HA H 17 4.000 3.835 0.165 2
1 164 . 1 1 A 17 17 THR C C 17 176.000 176.723 -0.723 2
1 165 . 1 1 A 17 17 THR CA C 17 67.400 67.050 0.350 2
1 166 . 1 1 A 17 17 THR CB C 17 68.200 68.449 -0.249 2
1 168 . 1 1 A 17 17 THR N N 17 122.200 116.517 5.683 2
1 169 . 1 1 A 18 18 MET H H 18 8.940 8.170 0.770 2
1 170 . 1 1 A 18 18 MET HA H 18 3.990 3.987 0.003 2
1 176 . 1 1 A 18 18 MET C C 18 178.300 178.621 -0.321 2
1 177 . 1 1 A 18 18 MET CA C 18 56.000 59.086 -3.086 2
1 178 . 1 1 A 18 18 MET CB C 18 31.400 32.470 -1.070 2
1 181 . 1 1 A 18 18 MET N N 18 125.300 118.356 6.944 2
1 182 . 1 1 A 19 19 LYS H H 19 8.080 7.990 0.090 2
1 183 . 1 1 A 19 19 LYS HA H 19 3.800 3.891 -0.091 2
1 186 . 1 1 A 19 19 LYS CA C 19 60.000 59.582 0.418 2
1 187 . 1 1 A 19 19 LYS CB C 19 32.500 32.446 0.054 2
1 191 . 1 1 A 19 19 LYS N N 19 117.900 120.613 -2.713 2
1 192 . 1 1 A 20 20 LYS H H 20 7.510 7.809 -0.299 2
1 193 . 1 1 A 20 20 LYS HA H 20 3.790 4.079 -0.289 2
1 198 . 1 1 A 20 20 LYS C C 20 178.500 179.047 -0.547 2
1 199 . 1 1 A 20 20 LYS CA C 20 59.500 59.630 -0.130 2
1 200 . 1 1 A 20 20 LYS CB C 20 32.800 32.356 0.444 2
1 204 . 1 1 A 20 20 LYS N N 20 117.500 118.895 -1.395 2
1 205 . 1 1 A 21 21 ALA H H 21 7.730 8.256 -0.526 2
1 206 . 1 1 A 21 21 ALA HA H 21 2.540 4.046 -1.506 2
1 210 . 1 1 A 21 21 ALA C C 21 178.700 179.841 -1.141 2
1 211 . 1 1 A 21 21 ALA CA C 21 54.400 55.290 -0.890 2
1 212 . 1 1 A 21 21 ALA CB C 21 19.000 18.268 0.732 2
1 213 . 1 1 A 21 21 ALA N N 21 123.600 122.133 1.467 2
1 214 . 1 1 A 22 22 ARG H H 22 8.110 8.231 -0.121 2
1 215 . 1 1 A 22 22 ARG HA H 22 3.490 4.099 -0.610 2
1 222 . 1 1 A 22 22 ARG C C 22 178.200 178.668 -0.468 2
1 223 . 1 1 A 22 22 ARG CA C 22 60.500 59.367 1.133 2
1 224 . 1 1 A 22 22 ARG CB C 22 30.700 29.878 0.822 2
1 227 . 1 1 A 22 22 ARG N N 22 116.100 117.816 -1.716 2
1 228 . 1 1 A 23 23 ILE H H 23 7.860 8.122 -0.262 2
1 229 . 1 1 A 23 23 ILE HA H 23 3.710 3.746 -0.036 2
1 239 . 1 1 A 23 23 ILE C C 23 177.200 178.572 -1.372 2
1 240 . 1 1 A 23 23 ILE CA C 23 65.000 64.935 0.065 2
1 241 . 1 1 A 23 23 ILE CB C 23 38.000 37.496 0.504 2
1 245 . 1 1 A 23 23 ILE N N 23 119.400 119.160 0.240 2
1 246 . 1 1 A 24 24 TRP H H 24 7.880 8.182 -0.302 2
1 247 . 1 1 A 24 24 TRP HA H 24 4.270 4.379 -0.109 2
1 256 . 1 1 A 24 24 TRP C C 24 176.100 178.327 -2.227 2
1 257 . 1 1 A 24 24 TRP CA C 24 63.100 61.141 1.959 2
1 258 . 1 1 A 24 24 TRP CB C 24 30.200 29.824 0.376 2
1 264 . 1 1 A 24 24 TRP N N 24 121.000 122.334 -1.334 2
1 266 . 1 1 A 25 25 LEU H H 25 8.690 8.812 -0.122 2
1 267 . 1 1 A 25 25 LEU HA H 25 4.000 4.043 -0.043 2
1 277 . 1 1 A 25 25 LEU C C 25 178.600 179.376 -0.776 2
1 278 . 1 1 A 25 25 LEU CA C 25 59.700 58.034 1.666 2
1 279 . 1 1 A 25 25 LEU CB C 25 41.200 41.240 -0.040 2
1 283 . 1 1 A 25 25 LEU N N 25 121.800 119.769 2.031 2
1 284 . 1 1 A 26 26 GLU H H 26 8.580 8.555 0.025 2
1 285 . 1 1 A 26 26 GLU HA H 26 4.200 4.070 0.130 2
1 290 . 1 1 A 26 26 GLU C C 26 181.200 178.828 2.372 2
1 291 . 1 1 A 26 26 GLU CA C 26 59.500 59.683 -0.183 2
1 292 . 1 1 A 26 26 GLU CB C 26 28.800 29.307 -0.507 2
1 294 . 1 1 A 26 26 GLU N N 26 120.600 118.269 2.331 2
1 295 . 1 1 A 27 27 ASP H H 27 9.360 8.199 1.161 2
1 296 . 1 1 A 27 27 ASP HA H 27 4.270 4.301 -0.031 2
1 299 . 1 1 A 27 27 ASP C C 27 177.400 178.534 -1.133 2
1 300 . 1 1 A 27 27 ASP CA C 27 56.400 57.062 -0.662 2
1 301 . 1 1 A 27 27 ASP CB C 27 40.000 41.335 -1.335 2
1 302 . 1 1 A 27 27 ASP N N 27 121.800 120.448 1.352 2
1 303 . 1 1 A 28 28 HIS H H 28 7.340 7.928 -0.588 2
1 304 . 1 1 A 28 28 HIS HA H 28 4.250 4.295 -0.045 2
1 309 . 1 1 A 28 28 HIS C C 28 173.600 175.350 -1.750 2
1 310 . 1 1 A 28 28 HIS CA C 28 56.700 57.942 -1.242 2
1 311 . 1 1 A 28 28 HIS CB C 28 27.500 30.278 -2.778 2
1 314 . 1 1 A 28 28 HIS N N 28 113.400 118.623 -5.223 2
1 315 . 1 1 A 29 29 GLY H H 29 7.790 8.137 -0.347 2
1 316 . 1 1 A 29 29 GLY HA2 H 29 3.870 3.859 0.011 2
1 317 . 1 1 A 29 29 GLY HA3 H 29 3.870 3.881 -0.011 2
1 318 . 1 1 A 29 29 GLY C C 29 174.200 174.415 -0.215 2
1 319 . 1 1 A 29 29 GLY CA C 29 46.900 46.122 0.778 2
1 320 . 1 1 A 29 29 GLY N N 29 109.400 107.148 2.252 2
1 321 . 1 1 A 30 30 ILE H H 30 8.120 7.981 0.139 2
1 322 . 1 1 A 30 30 ILE HA H 30 4.040 4.606 -0.566 2
1 332 . 1 1 A 30 30 ILE C C 30 175.500 174.655 0.845 2
1 333 . 1 1 A 30 30 ILE CA C 30 60.000 60.086 -0.086 2
1 334 . 1 1 A 30 30 ILE CB C 30 38.100 39.733 -1.633 2
1 338 . 1 1 A 30 30 ILE N N 30 121.800 120.814 0.986 2
1 339 . 1 1 A 31 31 ASP H H 31 8.430 8.827 -0.397 2
1 340 . 1 1 A 31 31 ASP HA H 31 4.650 5.287 -0.637 2
1 343 . 1 1 A 31 31 ASP C C 31 175.800 175.020 0.780 2
1 344 . 1 1 A 31 31 ASP CA C 31 54.600 53.301 1.299 2
1 345 . 1 1 A 31 31 ASP CB C 31 41.600 42.468 -0.868 2
1 346 . 1 1 A 31 31 ASP N N 31 128.500 126.414 2.086 2
1 347 . 1 1 A 32 32 TYR H H 32 7.920 9.108 -1.188 2
1 348 . 1 1 A 32 32 TYR HA H 32 5.500 5.285 0.215 2
1 355 . 1 1 A 32 32 TYR C C 32 173.800 174.642 -0.842 2
1 356 . 1 1 A 32 32 TYR CA C 32 56.100 56.397 -0.297 2
1 357 . 1 1 A 32 32 TYR CB C 32 41.700 41.522 0.178 2
1 362 . 1 1 A 32 32 TYR N N 32 117.500 123.307 -5.807 2
1 363 . 1 1 A 33 33 THR H H 33 8.900 8.838 0.062 2
1 364 . 1 1 A 33 33 THR HA H 33 4.470 4.598 -0.128 2
1 369 . 1 1 A 33 33 THR C C 33 172.900 173.694 -0.794 2
1 370 . 1 1 A 33 33 THR CA C 33 61.800 62.328 -0.528 2
1 371 . 1 1 A 33 33 THR CB C 33 70.800 69.261 1.539 2
1 373 . 1 1 A 33 33 THR N N 33 117.100 118.427 -1.327 2
1 374 . 1 1 A 34 34 PHE H H 34 9.280 8.976 0.303 2
1 375 . 1 1 A 34 34 PHE HA H 34 5.520 4.705 0.815 2
1 383 . 1 1 A 34 34 PHE CA C 34 53.900 57.784 -3.884 2
1 384 . 1 1 A 34 34 PHE CB C 34 39.900 39.469 0.431 2
1 390 . 1 1 A 34 34 PHE N N 34 128.200 127.921 0.279 2
1 391 . 1 1 A 35 35 HIS H H 35 9.210 8.832 0.378 2
1 392 . 1 1 A 35 35 HIS HA H 35 4.240 4.696 -0.456 2
1 397 . 1 1 A 35 35 HIS CA C 35 54.900 53.801 1.099 2
1 398 . 1 1 A 35 35 HIS CB C 35 30.700 32.081 -1.381 2
1 401 . 1 1 A 35 35 HIS N N 35 133.900 126.314 7.586 2
1 402 . 1 1 A 36 36 ASP H H 36 7.930 8.252 -0.322 2
1 403 . 1 1 A 36 36 ASP HA H 36 4.470 4.853 -0.383 2
1 406 . 1 1 A 36 36 ASP C C 36 178.500 176.652 1.848 2
1 407 . 1 1 A 36 36 ASP CA C 36 50.900 53.477 -2.577 2
1 408 . 1 1 A 36 36 ASP CB C 36 42.200 42.369 -0.169 2
1 409 . 1 1 A 36 36 ASP N N 36 127.000 125.007 1.993 2
1 410 . 1 1 A 37 37 TYR H H 37 9.290 9.011 0.279 2
1 417 . 1 1 A 37 37 TYR C C 37 178.700 177.776 0.924 2
1 418 . 1 1 A 37 37 TYR CA C 37 58.700 60.967 -2.267 2
1 419 . 1 1 A 37 37 TYR CB C 37 39.100 37.983 1.117 2
1 424 . 1 1 A 37 37 TYR N N 37 126.400 123.903 2.497 2
1 425 . 1 1 A 38 38 LYS H H 38 8.880 7.658 1.222 2
1 426 . 1 1 A 38 38 LYS HA H 38 4.300 3.893 0.407 2
1 429 . 1 1 A 38 38 LYS CA C 38 57.700 59.115 -1.415 2
1 430 . 1 1 A 38 38 LYS CB C 38 31.600 32.103 -0.503 2
1 434 . 1 1 A 38 38 LYS N N 38 115.800 121.696 -5.896 2
1 435 . 1 1 A 39 39 LYS H H 39 7.330 7.836 -0.506 2
1 436 . 1 1 A 39 39 LYS HA H 39 4.420 3.861 0.559 2
1 443 . 1 1 A 39 39 LYS CA C 39 57.500 59.649 -2.149 2
1 444 . 1 1 A 39 39 LYS CB C 39 34.600 32.167 2.433 2
1 448 . 1 1 A 39 39 LYS N N 39 118.800 119.123 -0.323 2
1 449 . 1 1 A 40 40 GLU H H 40 8.570 7.914 0.656 2
1 450 . 1 1 A 40 40 GLU HA H 40 4.280 4.175 0.105 2
1 455 . 1 1 A 40 40 GLU CA C 40 57.900 57.222 0.678 2
1 456 . 1 1 A 40 40 GLU CB C 40 29.300 30.297 -0.997 2
1 458 . 1 1 A 40 40 GLU N N 40 117.600 116.831 0.769 2
1 459 . 1 1 A 41 41 GLY H H 41 7.470 7.766 -0.296 2
1 460 . 1 1 A 41 41 GLY HA2 H 41 4.310 3.978 0.332 2
1 461 . 1 1 A 41 41 GLY HA3 H 41 4.170 3.987 0.183 2
1 462 . 1 1 A 41 41 GLY CA C 41 44.900 45.542 -0.643 2
1 463 . 1 1 A 41 41 GLY N N 41 106.300 107.281 -0.981 2
1 464 . 1 1 A 42 42 LEU H H 42 8.290 8.365 -0.075 2
1 465 . 1 1 A 42 42 LEU HA H 42 4.950 4.805 0.145 2
1 475 . 1 1 A 42 42 LEU C C 42 173.800 174.949 -1.149 2
1 476 . 1 1 A 42 42 LEU CA C 42 54.500 54.771 -0.271 2
1 477 . 1 1 A 42 42 LEU CB C 42 43.400 43.320 0.080 2
1 481 . 1 1 A 42 42 LEU N N 42 121.000 123.831 -2.831 2
1 482 . 1 1 A 43 43 ASP H H 43 8.520 8.542 -0.022 2
1 483 . 1 1 A 43 43 ASP HA H 43 4.800 5.013 -0.213 2
1 486 . 1 1 A 43 43 ASP C C 43 175.400 176.665 -1.265 2
1 487 . 1 1 A 43 43 ASP CA C 43 51.600 52.270 -0.670 2
1 488 . 1 1 A 43 43 ASP CB C 43 42.200 43.718 -1.518 2
1 489 . 1 1 A 43 43 ASP N N 43 124.800 126.595 -1.795 2
1 490 . 1 1 A 44 44 ALA H H 44 8.640 8.767 -0.127 2
1 491 . 1 1 A 44 44 ALA HA H 44 3.780 4.043 -0.263 2
1 495 . 1 1 A 44 44 ALA C C 44 178.100 179.645 -1.545 2
1 496 . 1 1 A 44 44 ALA CA C 44 55.400 55.570 -0.170 2
1 497 . 1 1 A 44 44 ALA CB C 44 18.100 18.199 -0.099 2
1 498 . 1 1 A 44 44 ALA N N 44 122.400 124.541 -2.141 2
1 499 . 1 1 A 45 45 GLU H H 45 8.240 8.186 0.054 2
1 500 . 1 1 A 45 45 GLU HA H 45 3.920 4.010 -0.090 2
1 505 . 1 1 A 45 45 GLU C C 45 179.300 178.907 0.393 2
1 506 . 1 1 A 45 45 GLU CA C 45 59.800 59.726 0.074 2
1 507 . 1 1 A 45 45 GLU CB C 45 29.200 29.433 -0.232 2
1 509 . 1 1 A 45 45 GLU N N 45 115.600 118.946 -3.346 2
1 510 . 1 1 A 46 46 THR H H 46 7.910 8.024 -0.114 2
1 511 . 1 1 A 46 46 THR HA H 46 3.500 3.815 -0.315 2
1 516 . 1 1 A 46 46 THR C C 46 174.300 176.315 -2.014 2
1 517 . 1 1 A 46 46 THR CA C 46 66.600 66.932 -0.332 2
1 518 . 1 1 A 46 46 THR CB C 46 67.700 68.492 -0.792 2
1 520 . 1 1 A 46 46 THR N N 46 117.700 115.967 1.733 2
1 521 . 1 1 A 47 47 LEU H H 47 7.710 8.299 -0.589 2
1 522 . 1 1 A 47 47 LEU HA H 47 3.510 4.099 -0.589 2
1 532 . 1 1 A 47 47 LEU C C 47 178.000 178.145 -0.145 2
1 533 . 1 1 A 47 47 LEU CA C 47 57.900 58.440 -0.540 2
1 534 . 1 1 A 47 47 LEU CB C 47 41.500 41.463 0.037 2
1 538 . 1 1 A 47 47 LEU N N 47 120.400 121.946 -1.546 2
1 539 . 1 1 A 48 48 ASP H H 48 9.000 8.530 0.470 2
1 540 . 1 1 A 48 48 ASP HA H 48 4.490 4.265 0.225 2
1 543 . 1 1 A 48 48 ASP C C 48 179.100 178.508 0.592 2
1 544 . 1 1 A 48 48 ASP CA C 48 57.500 57.814 -0.314 2
1 545 . 1 1 A 48 48 ASP CB C 48 39.100 41.807 -2.707 2
1 546 . 1 1 A 48 48 ASP N N 48 116.800 118.594 -1.794 2
1 547 . 1 1 A 49 49 ARG H H 49 7.560 8.031 -0.471 2
1 548 . 1 1 A 49 49 ARG HA H 49 4.110 3.948 0.162 2
1 555 . 1 1 A 49 49 ARG C C 49 180.100 179.095 1.005 2
1 556 . 1 1 A 49 49 ARG CA C 49 60.300 59.272 1.028 2
1 557 . 1 1 A 49 49 ARG CB C 49 29.600 29.500 0.100 2
1 560 . 1 1 A 49 49 ARG N N 49 122.100 118.797 3.303 2
1 561 . 1 1 A 50 50 PHE H H 50 8.300 7.985 0.315 2
1 562 . 1 1 A 50 50 PHE HA H 50 4.550 4.360 0.190 2
1 569 . 1 1 A 50 50 PHE C C 50 178.400 178.243 0.157 2
1 570 . 1 1 A 50 50 PHE CA C 50 57.500 60.891 -3.391 2
1 571 . 1 1 A 50 50 PHE CB C 50 36.900 38.620 -1.720 2
1 576 . 1 1 A 50 50 PHE N N 50 122.100 119.213 2.887 2
1 577 . 1 1 A 51 51 LEU H H 51 8.460 8.472 -0.012 2
1 587 . 1 1 A 51 51 LEU CA C 51 55.920 58.039 -2.119 2
1 588 . 1 1 A 51 51 LEU CB C 51 42.400 41.602 0.798 2
1 592 . 1 1 A 51 51 LEU N N 51 117.000 121.012 -4.012 2
1 593 . 1 1 A 52 52 LYS H H 52 7.660 8.053 -0.393 2
1 594 . 1 1 A 52 52 LYS HA H 52 4.180 4.062 0.117 2
1 603 . 1 1 A 52 52 LYS C C 52 178.300 178.885 -0.585 2
1 604 . 1 1 A 52 52 LYS CA C 52 58.700 59.206 -0.506 2
1 605 . 1 1 A 52 52 LYS CB C 52 32.700 32.211 0.489 2
1 609 . 1 1 A 52 52 LYS N N 52 119.100 119.469 -0.369 2
1 610 . 1 1 A 53 53 THR H H 53 7.430 7.427 0.003 2
1 611 . 1 1 A 53 53 THR HA H 53 4.570 4.290 0.280 2
1 616 . 1 1 A 53 53 THR C C 53 173.800 174.640 -0.840 2
1 617 . 1 1 A 53 53 THR CA C 53 62.600 64.445 -1.845 2
1 618 . 1 1 A 53 53 THR CB C 53 70.800 69.725 1.075 2
1 620 . 1 1 A 53 53 THR N N 53 107.400 111.016 -3.616 2
1 621 . 1 1 A 54 54 VAL H H 54 8.500 8.030 0.470 2
1 622 . 1 1 A 54 54 VAL HA H 54 4.540 4.621 -0.081 2
1 630 . 1 1 A 54 54 VAL C C 54 179.400 173.500 5.900 2
1 631 . 1 1 A 54 54 VAL CA C 54 59.100 58.904 0.196 2
1 632 . 1 1 A 54 54 VAL CB C 54 33.500 35.294 -1.794 2
1 635 . 1 1 A 54 54 VAL N N 54 125.200 119.645 5.555 2
1 636 . 1 1 A 55 55 PRO HA H 55 4.590 4.583 0.007 2
1 643 . 1 1 A 55 55 PRO C C 55 179.400 177.668 1.732 2
1 644 . 1 1 A 55 55 PRO CA C 55 62.100 62.664 -0.564 2
1 645 . 1 1 A 55 55 PRO CB C 55 32.900 32.406 0.494 2
1 648 . 1 1 A 56 56 TRP H H 56 8.690 8.758 -0.068 2
1 649 . 1 1 A 56 56 TRP HA H 56 3.990 4.313 -0.323 2
1 657 . 1 1 A 56 56 TRP C C 56 177.500 177.900 -0.400 2
1 658 . 1 1 A 56 56 TRP CA C 56 61.000 60.277 0.723 2
1 659 . 1 1 A 56 56 TRP CB C 56 27.400 28.629 -1.229 2
1 664 . 1 1 A 56 56 TRP N N 56 122.500 125.274 -2.774 2
1 666 . 1 1 A 57 57 GLU H H 57 8.410 7.878 0.532 2
1 667 . 1 1 A 57 57 GLU HA H 57 3.270 3.859 -0.589 2
1 672 . 1 1 A 57 57 GLU C C 57 178.000 177.014 0.986 2
1 673 . 1 1 A 57 57 GLU CA C 57 60.200 58.593 1.607 2
1 674 . 1 1 A 57 57 GLU CB C 57 28.200 28.381 -0.181 2
1 676 . 1 1 A 57 57 GLU N N 57 120.600 118.662 1.938 2
1 677 . 1 1 A 58 58 GLN H H 58 7.600 7.736 -0.136 2
1 678 . 1 1 A 58 58 GLN HA H 58 4.170 4.575 -0.405 2
1 683 . 1 1 A 58 58 GLN C C 58 175.500 176.030 -0.530 2
1 684 . 1 1 A 58 58 GLN CA C 58 56.000 54.703 1.297 2
1 685 . 1 1 A 58 58 GLN CB C 58 29.600 28.944 0.656 2
1 687 . 1 1 A 58 58 GLN N N 58 114.700 118.272 -3.572 2
1 688 . 1 1 A 59 59 LEU H H 59 7.440 8.132 -0.692 2
1 689 . 1 1 A 59 59 LEU HA H 59 4.220 4.567 -0.347 2
1 699 . 1 1 A 59 59 LEU C C 59 175.100 176.060 -0.960 2
1 700 . 1 1 A 59 59 LEU CA C 59 55.600 54.949 0.651 2
1 701 . 1 1 A 59 59 LEU CB C 59 44.700 44.166 0.534 2
1 705 . 1 1 A 59 59 LEU N N 59 119.500 120.902 -1.402 2
1 706 . 1 1 A 60 60 LEU H H 60 8.120 7.294 0.826 2
1 707 . 1 1 A 60 60 LEU HA H 60 4.410 4.957 -0.547 2
1 717 . 1 1 A 60 60 LEU C C 60 176.100 175.891 0.209 2
1 718 . 1 1 A 60 60 LEU CA C 60 55.400 53.072 2.328 2
1 719 . 1 1 A 60 60 LEU CB C 60 42.900 45.155 -2.255 2
1 723 . 1 1 A 60 60 LEU N N 60 119.300 116.267 3.033 2
1 724 . 1 1 A 61 61 ASN H H 61 9.120 8.452 0.668 2
1 729 . 1 1 A 61 61 ASN C C 61 175.600 174.844 0.756 2
1 730 . 1 1 A 61 61 ASN CA C 61 51.300 53.786 -2.486 2
1 731 . 1 1 A 61 61 ASN CB C 61 36.800 38.944 -2.144 2
1 732 . 1 1 A 61 61 ASN N N 61 124.900 117.833 7.067 2
1 734 . 1 1 A 62 62 ARG H H 62 8.140 8.929 -0.789 2
1 735 . 1 1 A 62 62 ARG HA H 62 3.450 4.208 -0.758 2
1 742 . 1 1 A 62 62 ARG C C 62 175.200 177.096 -1.896 2
1 743 . 1 1 A 62 62 ARG CA C 62 57.600 56.561 1.039 2
1 744 . 1 1 A 62 62 ARG CB C 62 30.200 31.826 -1.626 2
1 747 . 1 1 A 62 62 ARG N N 62 125.500 121.315 4.185 2
1 748 . 1 1 A 63 63 ALA H H 63 7.610 7.602 0.008 2
1 749 . 1 1 A 63 63 ALA HA H 63 4.460 4.352 0.108 2
1 753 . 1 1 A 63 63 ALA C C 63 178.300 177.438 0.862 2
1 754 . 1 1 A 63 63 ALA CA C 63 51.800 51.844 -0.044 2
1 755 . 1 1 A 63 63 ALA CB C 63 19.300 19.193 0.107 2
1 756 . 1 1 A 63 63 ALA N N 63 118.600 120.047 -1.447 2
1 757 . 1 1 A 64 64 GLY H H 64 7.150 8.299 -1.149 2
1 758 . 1 1 A 64 64 GLY HA2 H 64 4.410 4.112 0.298 2
1 759 . 1 1 A 64 64 GLY HA3 H 64 4.020 4.122 -0.102 2
1 760 . 1 1 A 64 64 GLY C C 64 173.500 175.144 -1.644 2
1 761 . 1 1 A 64 64 GLY CA C 64 45.400 44.549 0.851 2
1 762 . 1 1 A 64 64 GLY N N 64 105.700 106.930 -1.230 2
1 763 . 1 1 A 65 65 THR H H 65 8.340 8.903 -0.563 2
1 764 . 1 1 A 65 65 THR HA H 65 3.880 4.054 -0.174 2
1 769 . 1 1 A 65 65 THR C C 65 176.300 176.287 0.013 2
1 770 . 1 1 A 65 65 THR CA C 65 65.500 65.480 0.020 2
1 771 . 1 1 A 65 65 THR CB C 65 69.000 68.496 0.504 2
1 773 . 1 1 A 65 65 THR N N 65 113.400 115.105 -1.705 2
1 774 . 1 1 A 66 66 THR H H 66 7.940 8.128 -0.188 2
1 775 . 1 1 A 66 66 THR HA H 66 3.820 4.023 -0.203 2
1 780 . 1 1 A 66 66 THR C C 66 176.100 176.619 -0.519 2
1 781 . 1 1 A 66 66 THR CA C 66 67.000 66.218 0.782 2
1 782 . 1 1 A 66 66 THR CB C 66 68.000 68.402 -0.402 2
1 784 . 1 1 A 66 66 THR N N 66 116.200 115.208 0.992 2
1 785 . 1 1 A 67 67 PHE H H 67 8.720 7.932 0.788 2
1 786 . 1 1 A 67 67 PHE HA H 67 4.130 4.136 -0.006 2
1 793 . 1 1 A 67 67 PHE C C 67 176.900 177.458 -0.558 2
1 794 . 1 1 A 67 67 PHE CA C 67 61.500 60.958 0.542 2
1 795 . 1 1 A 67 67 PHE CB C 67 39.800 39.117 0.683 2
1 800 . 1 1 A 67 67 PHE N N 67 122.400 122.497 -0.097 2
1 801 . 1 1 A 68 68 ARG H H 68 7.750 7.830 -0.080 2
1 802 . 1 1 A 68 68 ARG HA H 68 3.790 4.350 -0.560 2
1 809 . 1 1 A 68 68 ARG C C 68 176.800 178.511 -1.711 2
1 810 . 1 1 A 68 68 ARG CA C 68 59.200 58.255 0.945 2
1 811 . 1 1 A 68 68 ARG CB C 68 30.200 30.052 0.148 2
1 814 . 1 1 A 68 68 ARG N N 68 114.400 117.854 -3.454 2
1 815 . 1 1 A 69 69 LYS H H 69 7.360 7.657 -0.297 2
1 816 . 1 1 A 69 69 LYS HA H 69 4.190 4.089 0.101 2
1 819 . 1 1 A 69 69 LYS C C 69 177.400 176.759 0.641 2
1 820 . 1 1 A 69 69 LYS CA C 69 56.700 58.885 -2.185 2
1 821 . 1 1 A 69 69 LYS CB C 69 33.000 32.395 0.605 2
1 825 . 1 1 A 69 69 LYS N N 69 115.600 118.841 -3.241 2
1 826 . 1 1 A 70 70 LEU H H 70 7.440 7.543 -0.103 2
1 827 . 1 1 A 70 70 LEU HA H 70 4.350 4.485 -0.135 2
1 830 . 1 1 A 70 70 LEU CA C 70 53.800 52.534 1.266 2
1 831 . 1 1 A 70 70 LEU CB C 70 41.000 41.821 -0.820 2
1 832 . 1 1 A 70 70 LEU N N 70 121.400 119.941 1.459 2
1 833 . 1 1 A 71 71 PRO HA H 71 4.460 4.527 -0.067 2
1 840 . 1 1 A 71 71 PRO C C 71 177.500 176.923 0.577 2
1 841 . 1 1 A 71 71 PRO CA C 71 62.800 62.298 0.502 2
1 842 . 1 1 A 71 71 PRO CB C 71 32.600 33.274 -0.674 2
1 845 . 1 1 A 72 72 GLU H H 72 9.010 8.744 0.266 2
1 846 . 1 1 A 72 72 GLU HA H 72 3.650 4.010 -0.360 2
1 851 . 1 1 A 72 72 GLU C C 72 177.600 178.526 -0.926 2
1 852 . 1 1 A 72 72 GLU CA C 72 60.500 59.438 1.062 2
1 853 . 1 1 A 72 72 GLU CB C 72 29.900 29.161 0.739 2
1 855 . 1 1 A 72 72 GLU N N 72 124.100 121.336 2.764 2
1 856 . 1 1 A 73 73 ASP H H 73 8.860 8.005 0.855 2
1 857 . 1 1 A 73 73 ASP HA H 73 4.290 4.414 -0.124 2
1 860 . 1 1 A 73 73 ASP C C 73 177.600 178.659 -1.059 2
1 861 . 1 1 A 73 73 ASP CA C 73 56.700 57.265 -0.565 2
1 862 . 1 1 A 73 73 ASP CB C 73 39.300 41.059 -1.759 2
1 863 . 1 1 A 73 73 ASP N N 73 116.200 120.188 -3.988 2
1 864 . 1 1 A 74 74 VAL H H 74 7.120 8.019 -0.899 2
1 865 . 1 1 A 74 74 VAL HA H 74 3.740 3.505 0.235 2
1 873 . 1 1 A 74 74 VAL C C 74 178.200 177.849 0.351 2
1 874 . 1 1 A 74 74 VAL CA C 74 65.000 66.858 -1.858 2
1 875 . 1 1 A 74 74 VAL CB C 74 32.100 31.367 0.733 2
1 878 . 1 1 A 74 74 VAL N N 74 120.400 120.006 0.394 2
1 879 . 1 1 A 75 75 ARG H H 75 7.700 7.978 -0.278 2
1 880 . 1 1 A 75 75 ARG HA H 75 3.790 3.916 -0.126 2
1 887 . 1 1 A 75 75 ARG C C 75 178.500 177.805 0.695 2
1 888 . 1 1 A 75 75 ARG CA C 75 59.600 59.086 0.514 2
1 889 . 1 1 A 75 75 ARG CB C 75 31.100 29.787 1.313 2
1 892 . 1 1 A 75 75 ARG N N 75 115.900 119.657 -3.757 2
1 893 . 1 1 A 76 76 SER H H 76 8.260 7.789 0.471 2
1 894 . 1 1 A 76 76 SER HA H 76 4.380 4.418 -0.038 2
1 897 . 1 1 A 76 76 SER C C 76 174.700 175.518 -0.818 2
1 898 . 1 1 A 76 76 SER CA C 76 60.500 60.393 0.107 2
1 899 . 1 1 A 76 76 SER CB C 76 63.500 63.558 -0.058 2
1 900 . 1 1 A 76 76 SER N N 76 111.800 115.244 -3.444 2
1 901 . 1 1 A 77 77 ASN H H 77 7.380 7.825 -0.445 2
1 902 . 1 1 A 77 77 ASN HA H 77 5.010 4.865 0.145 2
1 907 . 1 1 A 77 77 ASN C C 77 174.300 174.625 -0.326 2
1 908 . 1 1 A 77 77 ASN CA C 77 52.600 53.057 -0.457 2
1 909 . 1 1 A 77 77 ASN CB C 77 39.800 38.759 1.041 2
1 910 . 1 1 A 77 77 ASN N N 77 118.000 117.219 0.781 2
1 912 . 1 1 A 78 78 VAL H H 78 7.300 7.425 -0.125 2
1 913 . 1 1 A 78 78 VAL HA H 78 3.850 4.136 -0.286 2
1 921 . 1 1 A 78 78 VAL C C 78 173.200 174.648 -1.447 2
1 922 . 1 1 A 78 78 VAL CA C 78 63.600 61.825 1.775 2
1 923 . 1 1 A 78 78 VAL CB C 78 32.100 32.727 -0.627 2
1 926 . 1 1 A 78 78 VAL N N 78 121.200 121.027 0.173 2
1 927 . 1 1 A 79 79 ASP H H 79 7.660 8.325 -0.665 2
1 928 . 1 1 A 79 79 ASP HA H 79 4.380 4.871 -0.491 2
1 931 . 1 1 A 79 79 ASP C C 79 173.700 175.828 -2.128 2
1 932 . 1 1 A 79 79 ASP CA C 79 51.500 51.882 -0.382 2
1 933 . 1 1 A 79 79 ASP CB C 79 41.800 43.480 -1.680 2
1 934 . 1 1 A 79 79 ASP N N 79 127.000 127.670 -0.670 2
1 935 . 1 1 A 80 80 ALA H H 80 8.110 8.647 -0.537 2
1 936 . 1 1 A 80 80 ALA HA H 80 2.420 3.719 -1.299 2
1 940 . 1 1 A 80 80 ALA C C 80 178.700 179.758 -1.058 2
1 941 . 1 1 A 80 80 ALA CA C 80 55.600 55.318 0.282 2
1 942 . 1 1 A 80 80 ALA CB C 80 18.600 18.345 0.255 2
1 943 . 1 1 A 80 80 ALA N N 80 119.900 121.829 -1.929 2
1 944 . 1 1 A 81 81 ALA H H 81 7.760 8.143 -0.383 2
1 945 . 1 1 A 81 81 ALA HA H 81 4.030 3.938 0.093 2
1 949 . 1 1 A 81 81 ALA C C 81 180.700 179.770 0.930 2
1 950 . 1 1 A 81 81 ALA CA C 81 54.800 55.233 -0.433 2
1 951 . 1 1 A 81 81 ALA CB C 81 18.300 18.631 -0.331 2
1 952 . 1 1 A 81 81 ALA N N 81 118.500 120.254 -1.754 2
1 953 . 1 1 A 82 82 SER H H 82 8.480 8.092 0.388 2
1 954 . 1 1 A 82 82 SER HA H 82 4.240 4.005 0.235 2
1 957 . 1 1 A 82 82 SER C C 82 177.200 176.445 0.755 2
1 958 . 1 1 A 82 82 SER CA C 82 60.300 61.687 -1.387 2
1 959 . 1 1 A 82 82 SER CB C 82 62.700 62.807 -0.107 2
1 960 . 1 1 A 82 82 SER N N 82 115.300 112.987 2.313 2
1 961 . 1 1 A 83 83 ALA H H 83 8.970 8.102 0.868 2
1 962 . 1 1 A 83 83 ALA HA H 83 3.820 3.852 -0.032 2
1 966 . 1 1 A 83 83 ALA C C 83 178.600 180.033 -1.433 2
1 967 . 1 1 A 83 83 ALA CA C 83 55.600 55.155 0.445 2
1 968 . 1 1 A 83 83 ALA CB C 83 19.400 17.936 1.464 2
1 969 . 1 1 A 83 83 ALA N N 83 124.700 122.805 1.895 2
1 970 . 1 1 A 84 84 ARG H H 84 7.250 8.195 -0.945 2
1 971 . 1 1 A 84 84 ARG HA H 84 3.740 4.079 -0.339 2
1 978 . 1 1 A 84 84 ARG C C 84 176.600 179.052 -2.452 2
1 979 . 1 1 A 84 84 ARG CA C 84 60.100 59.749 0.351 2
1 980 . 1 1 A 84 84 ARG CB C 84 29.900 29.965 -0.065 2
1 983 . 1 1 A 84 84 ARG N N 84 116.500 117.540 -1.040 2
1 984 . 1 1 A 85 85 GLU H H 85 7.240 8.079 -0.839 2
1 985 . 1 1 A 85 85 GLU HA H 85 3.890 4.030 -0.140 2
1 990 . 1 1 A 85 85 GLU C C 85 179.800 179.437 0.363 2
1 991 . 1 1 A 85 85 GLU CA C 85 59.200 58.784 0.416 2
1 992 . 1 1 A 85 85 GLU CB C 85 29.300 29.584 -0.284 2
1 994 . 1 1 A 85 85 GLU N N 85 115.600 120.142 -4.542 2
1 995 . 1 1 A 86 86 LEU H H 86 8.620 8.500 0.120 2
1 996 . 1 1 A 86 86 LEU HA H 86 4.030 3.978 0.052 2
1 1006 . 1 1 A 86 86 LEU C C 86 178.600 179.023 -0.423 2
1 1007 . 1 1 A 86 86 LEU CA C 86 58.100 57.775 0.325 2
1 1008 . 1 1 A 86 86 LEU CB C 86 42.200 41.676 0.524 2
1 1012 . 1 1 A 86 86 LEU N N 86 120.800 120.627 0.173 2
1 1013 . 1 1 A 87 87 MET H H 87 7.840 8.199 -0.359 2
1 1014 . 1 1 A 87 87 MET HA H 87 3.680 4.147 -0.467 2
1 1022 . 1 1 A 87 87 MET C C 87 175.600 178.454 -2.855 2
1 1023 . 1 1 A 87 87 MET CA C 87 60.000 58.784 1.216 2
1 1024 . 1 1 A 87 87 MET CB C 87 34.300 32.226 2.074 2
1 1027 . 1 1 A 87 87 MET N N 87 116.700 116.297 0.403 2
1 1028 . 1 1 A 88 88 LEU H H 88 7.490 8.204 -0.714 2
1 1029 . 1 1 A 88 88 LEU HA H 88 3.890 4.062 -0.172 2
1 1039 . 1 1 A 88 88 LEU C C 88 179.200 178.347 0.853 2
1 1040 . 1 1 A 88 88 LEU CA C 88 57.000 58.153 -1.153 2
1 1041 . 1 1 A 88 88 LEU CB C 88 41.800 41.742 0.058 2
1 1045 . 1 1 A 88 88 LEU N N 88 113.400 121.711 -8.311 2
1 1046 . 1 1 A 89 89 ALA H H 89 7.690 7.858 -0.168 2
1 1047 . 1 1 A 89 89 ALA HA H 89 4.210 4.224 -0.014 2
1 1051 . 1 1 A 89 89 ALA C C 89 179.100 177.866 1.234 2
1 1052 . 1 1 A 89 89 ALA CA C 89 54.100 54.521 -0.421 2
1 1053 . 1 1 A 89 89 ALA CB C 89 19.200 19.036 0.164 2
1 1054 . 1 1 A 89 89 ALA N N 89 119.100 120.030 -0.930 2
1 1055 . 1 1 A 90 90 GLN H H 90 8.100 8.060 0.040 2
1 1062 . 1 1 A 90 90 GLN CA C 90 53.400 53.235 0.165 2
1 1063 . 1 1 A 90 90 GLN CB C 90 30.900 28.923 1.977 2
1 1064 . 1 1 A 90 90 GLN N N 90 115.100 115.464 -0.364 2
1 1066 . 1 1 A 91 91 PRO HA H 91 4.530 4.459 0.071 2
1 1073 . 1 1 A 91 91 PRO C C 91 178.300 177.321 0.979 2
1 1074 . 1 1 A 91 91 PRO CA C 91 64.300 64.076 0.224 2
1 1075 . 1 1 A 91 91 PRO CB C 91 31.800 31.827 -0.027 2
1 1078 . 1 1 A 92 92 SER H H 92 8.510 8.228 0.282 2
1 1079 . 1 1 A 92 92 SER HA H 92 4.310 4.075 0.235 2
1 1082 . 1 1 A 92 92 SER C C 92 174.200 175.823 -1.623 2
1 1083 . 1 1 A 92 92 SER CA C 92 62.000 60.406 1.594 2
1 1084 . 1 1 A 92 92 SER CB C 92 62.500 62.552 -0.052 2
1 1085 . 1 1 A 92 92 SER N N 92 115.000 113.640 1.360 2
1 1086 . 1 1 A 93 93 MET H H 93 8.790 7.522 1.268 2
1 1087 . 1 1 A 93 93 MET HA H 93 4.560 4.492 0.068 2
1 1092 . 1 1 A 93 93 MET C C 93 174.900 176.434 -1.534 2
1 1093 . 1 1 A 93 93 MET CA C 93 56.900 56.621 0.279 2
1 1094 . 1 1 A 93 93 MET CB C 93 35.000 32.964 2.036 2
1 1096 . 1 1 A 93 93 MET N N 93 118.400 118.299 0.101 2
1 1097 . 1 1 A 94 94 VAL H H 94 7.540 7.563 -0.023 2
1 1098 . 1 1 A 94 94 VAL HA H 94 4.080 4.079 0.001 2
1 1106 . 1 1 A 94 94 VAL C C 94 178.000 176.052 1.948 2
1 1107 . 1 1 A 94 94 VAL CA C 94 63.100 62.862 0.238 2
1 1108 . 1 1 A 94 94 VAL CB C 94 31.700 31.983 -0.283 2
1 1111 . 1 1 A 94 94 VAL N N 94 121.000 120.678 0.322 2
1 1112 . 1 1 A 95 95 LYS H H 95 9.550 8.651 0.899 2
1 1113 . 1 1 A 95 95 LYS HA H 95 3.940 4.272 -0.332 2
1 1116 . 1 1 A 95 95 LYS CA C 95 58.800 56.756 2.044 2
1 1117 . 1 1 A 95 95 LYS CB C 95 33.500 33.254 0.246 2
1 1121 . 1 1 A 95 95 LYS N N 95 131.200 125.193 6.007 2
1 1122 . 1 1 A 96 96 ARG H H 96 8.260 8.767 -0.507 2
1 1125 . 1 1 A 96 96 ARG CA C 96 52.700 54.404 -1.704 2
1 1126 . 1 1 A 96 96 ARG CB C 96 34.400 32.682 1.718 2
1 1127 . 1 1 A 96 96 ARG N N 96 117.100 119.965 -2.865 2
1 1134 . 1 1 A 97 97 PRO C C 97 176.600 175.353 1.247 2
1 1135 . 1 1 A 97 97 PRO CA C 97 62.400 62.449 -0.049 2
1 1136 . 1 1 A 97 97 PRO CB C 97 34.700 32.684 2.016 2
1 1139 . 1 1 A 98 98 VAL H H 98 7.540 8.245 -0.704 2
1 1140 . 1 1 A 98 98 VAL HA H 98 4.460 4.730 -0.270 2
1 1148 . 1 1 A 98 98 VAL C C 98 173.500 174.541 -1.041 2
1 1149 . 1 1 A 98 98 VAL CA C 98 64.000 60.714 3.286 2
1 1150 . 1 1 A 98 98 VAL CB C 98 33.600 34.410 -0.810 2
1 1153 . 1 1 A 98 98 VAL N N 98 117.800 120.968 -3.168 2
1 1154 . 1 1 A 99 99 LEU H H 99 9.030 9.168 -0.138 2
1 1155 . 1 1 A 99 99 LEU HA H 99 5.410 5.283 0.127 2
1 1165 . 1 1 A 99 99 LEU C C 99 173.800 175.010 -1.210 2
1 1166 . 1 1 A 99 99 LEU CA C 99 54.300 52.937 1.363 2
1 1167 . 1 1 A 99 99 LEU CB C 99 45.800 43.982 1.818 2
1 1171 . 1 1 A 99 99 LEU N N 99 131.400 127.511 3.889 2
1 1172 . 1 1 A 100 100 GLU H H 100 9.390 9.172 0.217 2
1 1173 . 1 1 A 100 100 GLU HA H 100 5.050 5.306 -0.256 2
1 1178 . 1 1 A 100 100 GLU C C 100 174.200 175.043 -0.843 2
1 1179 . 1 1 A 100 100 GLU CA C 100 55.300 54.914 0.386 2
1 1180 . 1 1 A 100 100 GLU CB C 100 35.600 32.665 2.935 2
1 1182 . 1 1 A 100 100 GLU N N 100 125.800 126.217 -0.417 2
1 1183 . 1 1 A 101 101 ARG H H 101 7.610 8.773 -1.163 2
1 1184 . 1 1 A 101 101 ARG C C 101 175.900 175.109 0.791 2
1 1185 . 1 1 A 101 101 ARG CA C 101 56.700 55.580 1.120 2
1 1186 . 1 1 A 101 101 ARG CB C 101 32.500 32.759 -0.259 2
1 1189 . 1 1 A 101 101 ARG N N 101 125.100 126.210 -1.110 2
1 1190 . 1 1 A 102 102 ASP H H 102 10.080 9.449 0.631 2
1 1191 . 1 1 A 102 102 ASP HA H 102 4.450 4.320 0.130 2
1 1194 . 1 1 A 102 102 ASP C C 102 175.700 175.631 0.069 2
1 1195 . 1 1 A 102 102 ASP CA C 102 55.300 55.163 0.137 2
1 1196 . 1 1 A 102 102 ASP CB C 102 40.500 39.650 0.850 2
1 1197 . 1 1 A 102 102 ASP N N 102 132.000 125.790 6.210 2
1 1198 . 1 1 A 103 103 GLY H H 103 8.870 8.390 0.480 2
1 1199 . 1 1 A 103 103 GLY HA2 H 103 4.120 3.905 0.215 2
1 1200 . 1 1 A 103 103 GLY HA3 H 103 3.830 3.912 -0.082 2
1 1201 . 1 1 A 103 103 GLY C C 103 174.000 174.195 -0.195 2
1 1202 . 1 1 A 103 103 GLY CA C 103 45.600 45.349 0.251 2
1 1203 . 1 1 A 103 103 GLY N N 103 102.900 104.486 -1.586 2
1 1204 . 1 1 A 104 104 LYS H H 104 8.130 7.743 0.387 2
1 1205 . 1 1 A 104 104 LYS HA H 104 4.650 4.443 0.207 2
1 1208 . 1 1 A 104 104 LYS C C 104 176.500 175.290 1.210 2
1 1209 . 1 1 A 104 104 LYS CA C 104 55.500 56.153 -0.653 2
1 1210 . 1 1 A 104 104 LYS CB C 104 32.600 33.819 -1.219 2
1 1214 . 1 1 A 104 104 LYS N N 104 122.400 121.302 1.098 2
1 1215 . 1 1 A 105 105 LEU H H 105 8.920 8.819 0.101 2
1 1216 . 1 1 A 105 105 LEU HA H 105 5.420 5.217 0.203 2
1 1226 . 1 1 A 105 105 LEU C C 105 177.200 174.995 2.205 2
1 1227 . 1 1 A 105 105 LEU CA C 105 54.300 53.745 0.555 2
1 1228 . 1 1 A 105 105 LEU CB C 105 45.400 44.586 0.815 2
1 1232 . 1 1 A 105 105 LEU N N 105 129.200 127.498 1.702 2
1 1233 . 1 1 A 106 106 MET H H 106 8.860 9.019 -0.159 2
1 1234 . 1 1 A 106 106 MET HA H 106 4.580 5.138 -0.558 2
1 1239 . 1 1 A 106 106 MET C C 106 174.500 174.570 -0.070 2
1 1240 . 1 1 A 106 106 MET CA C 106 55.300 54.230 1.070 2
1 1241 . 1 1 A 106 106 MET CB C 106 36.500 36.270 0.230 2
1 1243 . 1 1 A 106 106 MET N N 106 121.500 125.383 -3.883 2
1 1244 . 1 1 A 107 107 VAL H H 107 9.180 8.547 0.633 2
1 1245 . 1 1 A 107 107 VAL HA H 107 4.690 4.372 0.318 2
1 1253 . 1 1 A 107 107 VAL C C 107 176.200 176.002 0.198 2
1 1254 . 1 1 A 107 107 VAL CA C 107 61.400 61.027 0.373 2
1 1255 . 1 1 A 107 107 VAL CB C 107 33.400 33.017 0.383 2
1 1258 . 1 1 A 107 107 VAL N N 107 129.500 121.818 7.682 2
1 1259 . 1 1 A 108 108 GLY H H 108 8.730 8.453 0.277 2
1 1260 . 1 1 A 108 108 GLY HA2 H 108 4.430 3.761 0.669 2
1 1261 . 1 1 A 108 108 GLY HA3 H 108 3.850 3.830 0.020 2
1 1262 . 1 1 A 108 108 GLY CA C 108 43.800 44.878 -1.078 2
1 1263 . 1 1 A 108 108 GLY N N 108 113.600 111.939 1.661 2
1 1271 . 1 1 A 109 109 PHE C C 109 172.700 175.307 -2.607 2
1 1272 . 1 1 A 109 109 PHE CA C 109 58.900 56.556 2.344 2
1 1273 . 1 1 A 109 109 PHE CB C 109 42.100 42.840 -0.740 2
1 1279 . 1 1 A 110 110 LYS H H 110 6.510 8.547 -2.037 2
1 1282 . 1 1 A 110 110 LYS CA C 110 53.500 55.174 -1.674 2
1 1283 . 1 1 A 110 110 LYS CB C 110 34.800 31.995 2.805 2
1 1284 . 1 1 A 110 110 LYS N N 110 126.600 121.455 5.145 2
1 1285 . 1 1 A 111 111 PRO HA H 111 3.360 4.185 -0.825 2
1 1292 . 1 1 A 111 111 PRO C C 111 177.100 178.636 -1.536 2
1 1293 . 1 1 A 111 111 PRO CA C 111 66.600 65.755 0.845 2
1 1294 . 1 1 A 111 111 PRO CB C 111 31.700 31.785 -0.085 2
1 1297 . 1 1 A 112 112 ALA H H 112 8.450 8.321 0.129 2
1 1298 . 1 1 A 112 112 ALA HA H 112 4.140 4.098 0.042 2
1 1302 . 1 1 A 112 112 ALA C C 112 180.300 180.667 -0.367 2
1 1303 . 1 1 A 112 112 ALA CA C 112 54.900 55.404 -0.504 2
1 1304 . 1 1 A 112 112 ALA CB C 112 18.800 18.529 0.271 2
1 1305 . 1 1 A 112 112 ALA N N 112 116.200 118.647 -2.447 2
1 1306 . 1 1 A 113 113 GLN H H 113 6.880 7.785 -0.905 2
1 1307 . 1 1 A 113 113 GLN HA H 113 4.130 4.060 0.070 2
1 1314 . 1 1 A 113 113 GLN C C 113 178.400 178.244 0.156 2
1 1315 . 1 1 A 113 113 GLN CA C 113 60.100 59.082 1.018 2
1 1316 . 1 1 A 113 113 GLN CB C 113 29.100 28.697 0.403 2
1 1318 . 1 1 A 113 113 GLN N N 113 118.200 117.630 0.570 2
1 1320 . 1 1 A 114 114 TYR H H 114 7.600 8.243 -0.643 2
1 1321 . 1 1 A 114 114 TYR HA H 114 3.800 4.174 -0.374 2
1 1328 . 1 1 A 114 114 TYR C C 114 177.100 178.154 -1.054 2
1 1329 . 1 1 A 114 114 TYR CA C 114 61.700 61.406 0.294 2
1 1330 . 1 1 A 114 114 TYR CB C 114 33.200 38.474 -5.274 2
1 1335 . 1 1 A 114 114 TYR N N 114 124.900 121.121 3.779 2
1 1336 . 1 1 A 115 115 GLU H H 115 8.610 8.513 0.097 2
1 1337 . 1 1 A 115 115 GLU HA H 115 4.160 4.320 -0.160 2
1 1342 . 1 1 A 115 115 GLU C C 115 178.800 179.260 -0.460 2
1 1343 . 1 1 A 115 115 GLU CA C 115 60.100 59.740 0.360 2
1 1344 . 1 1 A 115 115 GLU CB C 115 30.000 30.042 -0.042 2
1 1346 . 1 1 A 115 115 GLU N N 115 119.300 118.766 0.534 2
1 1347 . 1 1 A 116 116 ALA H H 116 7.390 8.059 -0.669 2
1 1348 . 1 1 A 116 116 ALA HA H 116 4.210 4.176 0.034 2
1 1352 . 1 1 A 116 116 ALA C C 116 179.700 179.528 0.172 2
1 1353 . 1 1 A 116 116 ALA CA C 116 54.600 54.959 -0.359 2
1 1354 . 1 1 A 116 116 ALA CB C 116 18.200 18.176 0.024 2
1 1355 . 1 1 A 116 116 ALA N N 116 118.200 122.442 -4.242 2
1 1356 . 1 1 A 117 117 TYR H H 117 7.780 8.178 -0.398 2
1 1357 . 1 1 A 117 117 TYR HA H 117 3.890 4.183 -0.293 2
1 1364 . 1 1 A 117 117 TYR C C 117 177.300 177.615 -0.315 2
1 1365 . 1 1 A 117 117 TYR CA C 117 61.100 61.468 -0.368 2
1 1366 . 1 1 A 117 117 TYR CB C 117 39.200 38.671 0.529 2
1 1371 . 1 1 A 117 117 TYR N N 117 120.200 119.352 0.848 2
1 1372 . 1 1 A 118 118 PHE H H 118 7.960 8.138 -0.178 2
1 1379 . 1 1 A 118 118 PHE C C 118 174.900 175.917 -1.017 2
1 1380 . 1 1 A 118 118 PHE CA C 118 57.850 60.252 -2.402 2
1 1381 . 1 1 A 118 118 PHE CB C 118 39.100 39.158 -0.058 2
1 1386 . 1 1 A 118 118 PHE N N 118 113.100 120.068 -6.968 2
1 1387 . 1 1 A 119 119 LYS H H 119 7.670 7.531 0.139 2
1 1388 . 1 1 A 119 119 LYS HA H 119 4.210 4.284 -0.074 2
1 1397 . 1 1 A 119 119 LYS CA C 119 57.300 56.048 1.252 2
1 1398 . 1 1 A 119 119 LYS CB C 119 31.200 33.362 -2.162 2
1 1402 . 1 1 A 119 119 LYS N N 119 120.200 119.433 0.767 2
stop_
save_