data_16255_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16255
_Entry.PDB_ID 2KHV
_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 13 . 1 1 1 A 2 2 THR H H 2 9.230 8.640 0.590 1
1 14 . 1 1 1 A 2 2 THR HA H 2 5.080 5.045 0.035 1
1 19 . 1 1 1 A 2 2 THR CA C 2 61.000 60.382 0.618 1
1 20 . 1 1 1 A 2 2 THR CB C 2 70.800 71.883 -1.083 1
1 22 . 1 1 1 A 2 2 THR N N 2 119.100 116.947 2.153 1
1 23 . 1 1 1 A 3 3 PHE H H 3 9.290 9.546 -0.256 1
1 24 . 1 1 1 A 3 3 PHE HA H 3 3.880 4.138 -0.258 1
1 32 . 1 1 1 A 3 3 PHE CA C 3 63.900 62.276 1.624 1
1 33 . 1 1 1 A 3 3 PHE CB C 3 38.800 39.157 -0.357 1
1 37 . 1 1 1 A 3 3 PHE N N 3 122.600 123.517 -0.917 1
1 38 . 1 1 1 A 4 4 SER H H 4 9.930 8.290 1.640 1
1 39 . 1 1 1 A 4 4 SER HA H 4 4.000 4.050 -0.050 1
1 42 . 1 1 1 A 4 4 SER CA C 4 62.800 61.671 1.129 1
1 43 . 1 1 1 A 4 4 SER CB C 4 62.600 62.932 -0.332 1
1 44 . 1 1 1 A 4 4 SER N N 4 116.300 114.073 2.227 1
1 45 . 1 1 1 A 5 5 GLU H H 5 7.980 7.486 0.494 1
1 46 . 1 1 1 A 5 5 GLU HA H 5 3.990 4.031 -0.041 1
1 51 . 1 1 1 A 5 5 GLU CA C 5 58.800 58.872 -0.072 1
1 52 . 1 1 1 A 5 5 GLU CB C 5 29.700 29.906 -0.206 1
1 54 . 1 1 1 A 5 5 GLU N N 5 122.800 121.118 1.682 1
1 55 . 1 1 1 A 6 6 CYS H H 6 8.430 7.907 0.523 1
1 56 . 1 1 1 A 6 6 CYS HA H 6 4.120 4.066 0.054 1
1 59 . 1 1 1 A 6 6 CYS CA C 6 63.300 61.511 1.789 1
1 60 . 1 1 1 A 6 6 CYS CB C 6 27.100 26.955 0.145 1
1 61 . 1 1 1 A 6 6 CYS N N 6 120.100 119.403 0.697 1
1 62 . 1 1 1 A 7 7 ALA H H 7 8.770 8.185 0.585 1
1 63 . 1 1 1 A 7 7 ALA HA H 7 3.790 3.842 -0.052 1
1 67 . 1 1 1 A 7 7 ALA CA C 7 55.200 54.870 0.330 1
1 68 . 1 1 1 A 7 7 ALA CB C 7 17.400 17.841 -0.441 1
1 69 . 1 1 1 A 7 7 ALA N N 7 120.400 122.442 -2.042 1
1 70 . 1 1 1 A 8 8 ALA H H 8 7.800 7.765 0.035 1
1 71 . 1 1 1 A 8 8 ALA HA H 8 4.130 4.138 -0.008 1
1 75 . 1 1 1 A 8 8 ALA CA C 8 55.200 55.077 0.123 1
1 76 . 1 1 1 A 8 8 ALA CB C 8 17.700 18.382 -0.682 1
1 77 . 1 1 1 A 8 8 ALA N N 8 119.200 120.990 -1.790 1
1 78 . 1 1 1 A 9 9 LEU H H 9 8.120 8.113 0.007 1
1 79 . 1 1 1 A 9 9 LEU HA H 9 4.080 3.974 0.106 1
1 89 . 1 1 1 A 9 9 LEU CA C 9 57.700 57.866 -0.166 1
1 90 . 1 1 1 A 9 9 LEU CB C 9 42.000 42.172 -0.172 1
1 94 . 1 1 1 A 9 9 LEU N N 9 120.300 119.709 0.591 1
1 95 . 1 1 1 A 10 10 TYR H H 10 8.700 8.079 0.621 1
1 96 . 1 1 1 A 10 10 TYR HA H 10 2.330 2.532 -0.202 1
1 103 . 1 1 1 A 10 10 TYR CA C 10 62.000 60.861 1.139 1
1 104 . 1 1 1 A 10 10 TYR CB C 10 38.100 37.991 0.109 1
1 107 . 1 1 1 A 10 10 TYR N N 10 122.900 118.549 4.351 1
1 108 . 1 1 1 A 11 11 ILE H H 11 8.600 8.389 0.211 1
1 109 . 1 1 1 A 11 11 ILE HA H 11 3.270 3.440 -0.170 1
1 119 . 1 1 1 A 11 11 ILE CA C 11 65.600 65.040 0.560 1
1 120 . 1 1 1 A 11 11 ILE CB C 11 38.200 37.764 0.436 1
1 124 . 1 1 1 A 11 11 ILE N N 11 123.900 121.033 2.867 1
1 125 . 1 1 1 A 12 12 LYS H H 12 7.910 8.302 -0.392 1
1 126 . 1 1 1 A 12 12 LYS HA H 12 3.870 3.952 -0.082 1
1 135 . 1 1 1 A 12 12 LYS CA C 12 59.900 59.444 0.456 1
1 136 . 1 1 1 A 12 12 LYS CB C 12 32.600 32.030 0.570 1
1 140 . 1 1 1 A 12 12 LYS N N 12 120.600 119.262 1.338 1
1 141 . 1 1 1 A 13 13 ALA H H 13 7.790 7.793 -0.003 1
1 142 . 1 1 1 A 13 13 ALA HA H 13 4.100 3.983 0.117 1
1 146 . 1 1 1 A 13 13 ALA CA C 13 53.200 53.937 -0.737 1
1 147 . 1 1 1 A 13 13 ALA CB C 13 18.200 18.245 -0.045 1
1 148 . 1 1 1 A 13 13 ALA N N 13 118.100 120.415 -2.315 1
1 149 . 1 1 1 A 14 14 HIS H H 14 7.160 7.291 -0.131 1
1 150 . 1 1 1 A 14 14 HIS HA H 14 3.990 4.316 -0.326 1
1 155 . 1 1 1 A 14 14 HIS CA C 14 56.500 54.699 1.801 1
1 156 . 1 1 1 A 14 14 HIS CB C 14 27.000 29.045 -2.045 1
1 159 . 1 1 1 A 14 14 HIS N N 14 113.200 115.577 -2.377 1
1 160 . 1 1 1 A 15 15 ARG H H 15 7.420 7.547 -0.127 1
1 161 . 1 1 1 A 15 15 ARG HA H 15 3.760 3.790 -0.030 1
1 168 . 1 1 1 A 15 15 ARG CA C 15 59.800 59.707 0.093 1
1 169 . 1 1 1 A 15 15 ARG CB C 15 29.800 30.177 -0.377 1
1 172 . 1 1 1 A 15 15 ARG N N 15 121.100 121.052 0.048 1
1 173 . 1 1 1 A 16 16 SER H H 16 8.540 7.931 0.609 1
1 174 . 1 1 1 A 16 16 SER HA H 16 4.230 4.099 0.131 1
1 177 . 1 1 1 A 16 16 SER CA C 16 60.800 61.822 -1.022 1
1 178 . 1 1 1 A 16 16 SER CB C 16 62.200 62.716 -0.516 1
1 179 . 1 1 1 A 16 16 SER N N 16 114.100 117.066 -2.966 1
1 180 . 1 1 1 A 17 17 SER H H 17 7.680 7.567 0.113 1
1 181 . 1 1 1 A 17 17 SER HA H 17 4.370 4.399 -0.029 1
1 184 . 1 1 1 A 17 17 SER CA C 17 59.800 60.040 -0.240 1
1 185 . 1 1 1 A 17 17 SER CB C 17 63.100 63.376 -0.276 1
1 186 . 1 1 1 A 17 17 SER N N 17 116.700 116.416 0.284 1
1 187 . 1 1 1 A 18 18 TRP H H 18 7.640 7.601 0.039 1
1 188 . 1 1 1 A 18 18 TRP HA H 18 4.990 4.770 0.220 1
1 197 . 1 1 1 A 18 18 TRP CA C 18 55.200 56.663 -1.463 1
1 198 . 1 1 1 A 18 18 TRP CB C 18 29.500 29.750 -0.250 1
1 204 . 1 1 1 A 18 18 TRP N N 18 121.200 119.532 1.668 1
1 206 . 1 1 1 A 19 19 LYS H H 19 7.920 8.022 -0.102 1
1 207 . 1 1 1 A 19 19 LYS HA H 19 4.180 4.203 -0.023 1
1 216 . 1 1 1 A 19 19 LYS CA C 19 58.100 58.396 -0.296 1
1 217 . 1 1 1 A 19 19 LYS CB C 19 32.200 31.109 1.091 1
1 221 . 1 1 1 A 19 19 LYS N N 19 121.100 117.138 3.962 1
1 222 . 1 1 1 A 20 20 ASN H H 20 8.630 8.655 -0.025 1
1 223 . 1 1 1 A 20 20 ASN HA H 20 4.760 4.674 0.086 1
1 228 . 1 1 1 A 20 20 ASN CA C 20 53.600 53.575 0.025 1
1 229 . 1 1 1 A 20 20 ASN CB C 20 38.200 37.191 1.009 1
1 230 . 1 1 1 A 20 20 ASN N N 20 116.500 120.602 -4.102 1
1 232 . 1 1 1 A 21 21 THR H H 21 8.320 7.949 0.371 1
1 233 . 1 1 1 A 21 21 THR HA H 21 4.470 4.910 -0.440 1
1 238 . 1 1 1 A 21 21 THR CA C 21 62.500 59.563 2.937 1
1 239 . 1 1 1 A 21 21 THR CB C 21 70.700 72.808 -2.108 1
1 241 . 1 1 1 A 21 21 THR N N 21 113.700 113.687 0.013 1
1 242 . 1 1 1 A 22 22 LYS H H 22 8.440 8.992 -0.552 1
1 243 . 1 1 1 A 22 22 LYS HA H 22 4.500 4.413 0.087 1
1 252 . 1 1 1 A 22 22 LYS CA C 22 56.700 57.164 -0.464 1
1 253 . 1 1 1 A 22 22 LYS CB C 22 31.700 31.780 -0.080 1
1 257 . 1 1 1 A 22 22 LYS N N 22 120.900 119.707 1.193 1
1 258 . 1 1 1 A 23 23 HIS H H 23 8.110 7.778 0.332 1
1 259 . 1 1 1 A 23 23 HIS HA H 23 4.450 4.319 0.131 1
1 264 . 1 1 1 A 23 23 HIS CA C 23 57.300 59.574 -2.274 1
1 265 . 1 1 1 A 23 23 HIS CB C 23 27.900 29.223 -1.323 1
1 268 . 1 1 1 A 23 23 HIS N N 23 116.800 119.138 -2.338 1
1 269 . 1 1 1 A 24 24 ALA H H 24 8.490 8.301 0.189 1
1 270 . 1 1 1 A 24 24 ALA HA H 24 4.000 3.802 0.198 1
1 274 . 1 1 1 A 24 24 ALA CA C 24 55.700 55.225 0.475 1
1 275 . 1 1 1 A 24 24 ALA CB C 24 18.000 18.263 -0.263 1
1 276 . 1 1 1 A 24 24 ALA N N 24 121.700 122.349 -0.649 1
1 277 . 1 1 1 A 25 25 ASP H H 25 8.370 8.244 0.126 1
1 278 . 1 1 1 A 25 25 ASP HA H 25 4.450 4.376 0.074 1
1 281 . 1 1 1 A 25 25 ASP CA C 25 56.800 57.632 -0.832 1
1 282 . 1 1 1 A 25 25 ASP CB C 25 40.200 41.442 -1.242 1
1 283 . 1 1 1 A 25 25 ASP N N 25 119.100 118.556 0.544 1
1 284 . 1 1 1 A 26 26 GLN H H 26 8.020 8.481 -0.461 1
1 285 . 1 1 1 A 26 26 GLN HA H 26 4.250 4.010 0.240 1
1 292 . 1 1 1 A 26 26 GLN CA C 26 58.600 59.156 -0.556 1
1 293 . 1 1 1 A 26 26 GLN CB C 26 28.500 28.209 0.291 1
1 295 . 1 1 1 A 26 26 GLN N N 26 119.500 117.609 1.891 1
1 297 . 1 1 1 A 27 27 TRP H H 27 8.610 8.328 0.282 1
1 298 . 1 1 1 A 27 27 TRP HA H 27 3.840 4.451 -0.611 1
1 307 . 1 1 1 A 27 27 TRP CA C 27 62.400 59.682 2.718 1
1 308 . 1 1 1 A 27 27 TRP CB C 27 28.300 29.482 -1.182 1
1 314 . 1 1 1 A 27 27 TRP N N 27 122.000 121.189 0.811 1
1 316 . 1 1 1 A 28 28 THR H H 28 8.460 8.305 0.155 1
1 317 . 1 1 1 A 28 28 THR HA H 28 3.790 4.041 -0.251 1
1 322 . 1 1 1 A 28 28 THR CA C 28 67.000 67.541 -0.541 1
1 323 . 1 1 1 A 28 28 THR CB C 28 68.900 68.669 0.231 1
1 325 . 1 1 1 A 28 28 THR N N 28 114.800 115.260 -0.460 1
1 326 . 1 1 1 A 29 29 ASN H H 29 8.650 9.066 -0.416 1
1 327 . 1 1 1 A 29 29 ASN HA H 29 4.530 4.414 0.116 1
1 332 . 1 1 1 A 29 29 ASN CA C 29 56.600 56.538 0.062 1
1 333 . 1 1 1 A 29 29 ASN CB C 29 38.400 38.865 -0.465 1
1 334 . 1 1 1 A 29 29 ASN N N 29 118.500 119.790 -1.290 1
1 336 . 1 1 1 A 30 30 THR H H 30 8.170 8.093 0.077 1
1 337 . 1 1 1 A 30 30 THR HA H 30 4.160 4.091 0.069 1
1 342 . 1 1 1 A 30 30 THR CA C 30 66.100 67.380 -1.280 1
1 343 . 1 1 1 A 30 30 THR CB C 30 69.300 68.539 0.761 1
1 345 . 1 1 1 A 30 30 THR N N 30 113.100 116.523 -3.423 1
1 346 . 1 1 1 A 31 31 ILE H H 31 8.030 7.850 0.180 1
1 347 . 1 1 1 A 31 31 ILE HA H 31 3.850 3.659 0.191 1
1 357 . 1 1 1 A 31 31 ILE CA C 31 65.200 65.689 -0.489 1
1 358 . 1 1 1 A 31 31 ILE CB C 31 36.300 37.782 -1.482 1
1 362 . 1 1 1 A 31 31 ILE N N 31 122.000 121.544 0.456 1
1 363 . 1 1 1 A 32 32 LYS H H 32 8.320 8.598 -0.278 1
1 364 . 1 1 1 A 32 32 LYS HA H 32 4.090 4.043 0.047 1
1 373 . 1 1 1 A 32 32 LYS CA C 32 60.500 59.559 0.941 1
1 374 . 1 1 1 A 32 32 LYS CB C 32 32.500 32.168 0.332 1
1 378 . 1 1 1 A 32 32 LYS N N 32 121.300 121.142 0.158 1
1 379 . 1 1 1 A 33 33 THR H H 33 8.160 7.732 0.428 1
1 380 . 1 1 1 A 33 33 THR HA H 33 3.690 4.003 -0.313 1
1 385 . 1 1 1 A 33 33 THR CA C 33 66.500 66.304 0.196 1
1 386 . 1 1 1 A 33 33 THR CB C 33 69.200 69.201 -0.001 1
1 388 . 1 1 1 A 33 33 THR N N 33 113.400 116.151 -2.751 1
1 389 . 1 1 1 A 34 34 TYR H H 34 7.640 8.532 -0.892 1
1 390 . 1 1 1 A 34 34 TYR HA H 34 4.670 4.338 0.332 1
1 397 . 1 1 1 A 34 34 TYR CA C 34 59.800 60.392 -0.592 1
1 398 . 1 1 1 A 34 34 TYR CB C 34 39.800 38.952 0.848 1
1 401 . 1 1 1 A 34 34 TYR N N 34 113.700 118.854 -5.154 1
1 402 . 1 1 1 A 35 35 CYS H H 35 8.170 8.283 -0.113 1
1 403 . 1 1 1 A 35 35 CYS HA H 35 4.470 4.487 -0.017 1
1 406 . 1 1 1 A 35 35 CYS CA C 35 60.700 61.137 -0.437 1
1 407 . 1 1 1 A 35 35 CYS CB C 35 27.700 28.179 -0.479 1
1 408 . 1 1 1 A 35 35 CYS N N 35 113.100 118.628 -5.528 1
1 409 . 1 1 1 A 36 36 GLY H H 36 8.110 8.176 -0.066 1
1 410 . 1 1 1 A 36 36 GLY HA2 H 36 3.880 3.811 0.069 1
1 411 . 1 1 1 A 36 36 GLY HA3 H 36 4.480 3.846 0.634 1
1 412 . 1 1 1 A 36 36 GLY CA C 36 49.400 48.246 1.154 1
1 413 . 1 1 1 A 36 36 GLY N N 36 110.800 109.981 0.819 1
1 414 . 1 1 1 A 37 37 PRO HA H 37 4.470 4.379 0.091 1
1 421 . 1 1 1 A 37 37 PRO CA C 37 64.400 64.800 -0.400 1
1 422 . 1 1 1 A 37 37 PRO CB C 37 32.700 31.412 1.288 1
1 425 . 1 1 1 A 38 38 VAL H H 38 7.270 7.396 -0.126 1
1 426 . 1 1 1 A 38 38 VAL HA H 38 4.190 4.014 0.176 1
1 434 . 1 1 1 A 38 38 VAL CA C 38 63.600 63.233 0.367 1
1 435 . 1 1 1 A 38 38 VAL CB C 38 34.800 32.297 2.503 1
1 438 . 1 1 1 A 38 38 VAL N N 38 113.900 115.474 -1.574 1
1 439 . 1 1 1 A 39 39 ILE H H 39 7.590 7.908 -0.318 1
1 440 . 1 1 1 A 39 39 ILE HA H 39 4.590 4.302 0.288 1
1 450 . 1 1 1 A 39 39 ILE CA C 39 60.500 60.876 -0.376 1
1 451 . 1 1 1 A 39 39 ILE CB C 39 39.500 38.006 1.494 1
1 455 . 1 1 1 A 39 39 ILE N N 39 107.400 115.009 -7.609 1
1 456 . 1 1 1 A 40 40 GLY H H 40 7.670 8.009 -0.339 1
1 457 . 1 1 1 A 40 40 GLY HA2 H 40 4.040 3.884 0.156 1
1 458 . 1 1 1 A 40 40 GLY HA3 H 40 4.430 4.003 0.427 1
1 459 . 1 1 1 A 40 40 GLY CA C 40 49.400 48.281 1.119 1
1 460 . 1 1 1 A 40 40 GLY N N 40 109.200 112.495 -3.295 1
1 461 . 1 1 1 A 41 41 PRO HA H 41 4.770 4.572 0.198 1
1 468 . 1 1 1 A 41 41 PRO CA C 41 63.200 63.844 -0.644 1
1 469 . 1 1 1 A 41 41 PRO CB C 41 31.800 32.235 -0.435 1
1 472 . 1 1 1 A 42 42 LEU H H 42 7.540 7.397 0.143 1
1 473 . 1 1 1 A 42 42 LEU HA H 42 4.320 4.433 -0.113 1
1 483 . 1 1 1 A 42 42 LEU CA C 42 54.000 54.082 -0.082 1
1 484 . 1 1 1 A 42 42 LEU CB C 42 42.000 43.126 -1.126 1
1 488 . 1 1 1 A 42 42 LEU N N 42 119.600 121.468 -1.868 1
1 489 . 1 1 1 A 43 43 SER H H 43 8.880 8.716 0.164 1
1 490 . 1 1 1 A 43 43 SER HA H 43 4.510 4.898 -0.388 1
1 493 . 1 1 1 A 43 43 SER CA C 43 58.600 58.602 -0.002 1
1 494 . 1 1 1 A 43 43 SER CB C 43 63.000 63.463 -0.463 1
1 495 . 1 1 1 A 43 43 SER N N 43 116.100 117.148 -1.048 1
1 496 . 1 1 1 A 44 44 VAL H H 44 9.020 8.471 0.549 1
1 497 . 1 1 1 A 44 44 VAL HA H 44 3.920 4.175 -0.255 1
1 505 . 1 1 1 A 44 44 VAL CA C 44 65.900 64.654 1.246 1
1 506 . 1 1 1 A 44 44 VAL CB C 44 32.100 31.955 0.145 1
1 509 . 1 1 1 A 44 44 VAL N N 44 124.400 126.844 -2.444 1
1 510 . 1 1 1 A 45 45 GLN H H 45 8.700 7.804 0.896 1
1 511 . 1 1 1 A 45 45 GLN HA H 45 4.170 4.167 0.003 1
1 518 . 1 1 1 A 45 45 GLN CA C 45 57.400 58.526 -1.126 1
1 519 . 1 1 1 A 45 45 GLN CB C 45 29.000 28.708 0.292 1
1 521 . 1 1 1 A 45 45 GLN N N 45 120.500 121.144 -0.644 1
1 523 . 1 1 1 A 46 46 ASP H H 46 7.870 7.825 0.045 1
1 524 . 1 1 1 A 46 46 ASP HA H 46 4.720 4.732 -0.012 1
1 527 . 1 1 1 A 46 46 ASP CA C 46 54.400 54.210 0.190 1
1 528 . 1 1 1 A 46 46 ASP CB C 46 40.800 41.477 -0.677 1
1 529 . 1 1 1 A 46 46 ASP N N 46 117.200 117.251 -0.051 1
1 530 . 1 1 1 A 47 47 VAL H H 47 6.970 7.364 -0.394 1
1 531 . 1 1 1 A 47 47 VAL HA H 47 3.490 3.882 -0.392 1
1 539 . 1 1 1 A 47 47 VAL CA C 47 65.200 62.920 2.280 1
1 540 . 1 1 1 A 47 47 VAL CB C 47 31.100 31.823 -0.723 1
1 543 . 1 1 1 A 47 47 VAL N N 47 118.500 121.656 -3.156 1
1 544 . 1 1 1 A 48 48 ASP H H 48 7.220 8.339 -1.119 1
1 545 . 1 1 1 A 48 48 ASP HA H 48 4.910 4.967 -0.057 1
1 548 . 1 1 1 A 48 48 ASP CA C 48 51.600 52.371 -0.771 1
1 549 . 1 1 1 A 48 48 ASP CB C 48 42.700 43.565 -0.865 1
1 550 . 1 1 1 A 48 48 ASP N N 48 128.000 128.526 -0.526 1
1 551 . 1 1 1 A 49 49 THR H H 49 8.490 8.976 -0.486 1
1 552 . 1 1 1 A 49 49 THR HA H 49 3.770 3.728 0.042 1
1 557 . 1 1 1 A 49 49 THR CA C 49 67.300 66.020 1.280 1
1 558 . 1 1 1 A 49 49 THR CB C 49 68.900 68.534 0.366 1
1 560 . 1 1 1 A 49 49 THR N N 49 115.800 119.187 -3.387 1
1 561 . 1 1 1 A 50 50 LYS H H 50 7.860 8.571 -0.711 1
1 562 . 1 1 1 A 50 50 LYS HA H 50 3.860 4.031 -0.171 1
1 571 . 1 1 1 A 50 50 LYS CA C 50 60.000 59.651 0.349 1
1 572 . 1 1 1 A 50 50 LYS CB C 50 31.600 31.152 0.448 1
1 576 . 1 1 1 A 50 50 LYS N N 50 120.500 120.819 -0.319 1
1 577 . 1 1 1 A 51 51 LEU H H 51 8.190 8.040 0.150 1
1 578 . 1 1 1 A 51 51 LEU HA H 51 4.050 4.022 0.028 1
1 588 . 1 1 1 A 51 51 LEU CA C 51 57.600 58.123 -0.523 1
1 589 . 1 1 1 A 51 51 LEU CB C 51 42.400 41.676 0.724 1
1 593 . 1 1 1 A 51 51 LEU N N 51 120.600 118.928 1.672 1
1 594 . 1 1 1 A 52 52 ILE H H 52 7.850 7.748 0.102 1
1 595 . 1 1 1 A 52 52 ILE HA H 52 3.440 3.490 -0.050 1
1 605 . 1 1 1 A 52 52 ILE CA C 52 65.200 64.988 0.212 1
1 606 . 1 1 1 A 52 52 ILE CB C 52 36.700 37.508 -0.808 1
1 610 . 1 1 1 A 52 52 ILE N N 52 118.600 119.906 -1.306 1
1 611 . 1 1 1 A 53 53 MET H H 53 8.540 8.295 0.245 1
1 612 . 1 1 1 A 53 53 MET HA H 53 4.040 4.256 -0.216 1
1 620 . 1 1 1 A 53 53 MET CA C 53 59.000 58.974 0.026 1
1 621 . 1 1 1 A 53 53 MET CB C 53 31.300 32.552 -1.252 1
1 624 . 1 1 1 A 53 53 MET N N 53 118.600 118.346 0.254 1
1 625 . 1 1 1 A 54 54 LYS H H 54 7.620 7.892 -0.272 1
1 626 . 1 1 1 A 54 54 LYS HA H 54 4.140 4.097 0.043 1
1 635 . 1 1 1 A 54 54 LYS CA C 54 59.200 58.941 0.259 1
1 636 . 1 1 1 A 54 54 LYS CB C 54 32.300 32.608 -0.308 1
1 640 . 1 1 1 A 54 54 LYS N N 54 119.100 119.466 -0.366 1
1 641 . 1 1 1 A 55 55 VAL H H 55 7.560 7.271 0.289 1
1 642 . 1 1 1 A 55 55 VAL HA H 55 3.670 3.609 0.061 1
1 650 . 1 1 1 A 55 55 VAL CA C 55 65.600 66.010 -0.410 1
1 651 . 1 1 1 A 55 55 VAL CB C 55 31.900 31.782 0.118 1
1 654 . 1 1 1 A 55 55 VAL N N 55 117.200 119.369 -2.169 1
1 655 . 1 1 1 A 56 56 LEU H H 56 7.790 8.350 -0.560 1
1 656 . 1 1 1 A 56 56 LEU HA H 56 3.900 3.853 0.047 1
1 666 . 1 1 1 A 56 56 LEU CA C 56 56.400 58.108 -1.708 1
1 667 . 1 1 1 A 56 56 LEU CB C 56 42.700 40.554 2.146 1
1 671 . 1 1 1 A 56 56 LEU N N 56 114.400 118.771 -4.371 1
1 672 . 1 1 1 A 57 57 ASP H H 57 8.850 8.405 0.445 1
1 673 . 1 1 1 A 57 57 ASP HA H 57 4.140 4.830 -0.690 1
1 676 . 1 1 1 A 57 57 ASP CA C 57 59.100 59.434 -0.334 1
1 677 . 1 1 1 A 57 57 ASP CB C 57 38.200 38.434 -0.234 1
1 678 . 1 1 1 A 57 57 ASP N N 57 120.500 120.381 0.119 1
1 679 . 1 1 1 A 58 58 PRO HA H 58 4.520 4.358 0.162 1
1 686 . 1 1 1 A 58 58 PRO CA C 58 65.300 65.898 -0.598 1
1 687 . 1 1 1 A 58 58 PRO CB C 58 31.700 30.978 0.722 1
1 690 . 1 1 1 A 59 59 ILE H H 59 7.400 7.494 -0.094 1
1 691 . 1 1 1 A 59 59 ILE HA H 59 4.060 3.849 0.211 1
1 701 . 1 1 1 A 59 59 ILE CA C 59 62.300 63.847 -1.547 1
1 702 . 1 1 1 A 59 59 ILE CB C 59 39.300 36.740 2.560 1
1 706 . 1 1 1 A 59 59 ILE N N 59 113.300 116.182 -2.882 1
1 707 . 1 1 1 A 60 60 TRP H H 60 8.000 7.694 0.306 1
1 708 . 1 1 1 A 60 60 TRP HA H 60 3.830 4.403 -0.573 1
1 717 . 1 1 1 A 60 60 TRP CA C 60 61.300 59.799 1.501 1
1 718 . 1 1 1 A 60 60 TRP CB C 60 29.700 29.375 0.325 1
1 724 . 1 1 1 A 60 60 TRP N N 60 120.900 121.294 -0.394 1
1 726 . 1 1 1 A 61 61 GLU H H 61 7.840 8.079 -0.239 1
1 727 . 1 1 1 A 61 61 GLU HA H 61 4.110 3.992 0.118 1
1 732 . 1 1 1 A 61 61 GLU CA C 61 58.100 59.920 -1.820 1
1 733 . 1 1 1 A 61 61 GLU CB C 61 29.500 29.643 -0.143 1
1 735 . 1 1 1 A 61 61 GLU N N 61 112.300 119.906 -7.606 1
1 736 . 1 1 1 A 62 62 GLN H H 62 7.710 8.306 -0.596 1
1 737 . 1 1 1 A 62 62 GLN HA H 62 4.400 4.302 0.098 1
1 744 . 1 1 1 A 62 62 GLN CA C 62 57.200 58.429 -1.229 1
1 745 . 1 1 1 A 62 62 GLN CB C 62 30.800 29.182 1.618 1
1 747 . 1 1 1 A 62 62 GLN N N 62 115.200 117.279 -2.079 1
1 749 . 1 1 1 A 63 63 LYS H H 63 8.500 8.267 0.233 1
1 750 . 1 1 1 A 63 63 LYS HA H 63 4.860 4.737 0.123 1
1 759 . 1 1 1 A 63 63 LYS CA C 63 53.300 53.805 -0.505 1
1 760 . 1 1 1 A 63 63 LYS CB C 63 33.800 33.086 0.714 1
1 764 . 1 1 1 A 63 63 LYS N N 63 117.800 118.800 -1.000 1
1 765 . 1 1 1 A 64 64 PRO HA H 64 4.110 4.186 -0.076 1
1 772 . 1 1 1 A 64 64 PRO CA C 64 66.000 65.041 0.959 1
1 773 . 1 1 1 A 64 64 PRO CB C 64 31.500 32.163 -0.663 1
1 776 . 1 1 1 A 65 65 GLU H H 65 8.680 8.354 0.326 1
1 777 . 1 1 1 A 65 65 GLU HA H 65 4.120 4.050 0.070 1
1 782 . 1 1 1 A 65 65 GLU CA C 65 59.300 59.481 -0.181 1
1 783 . 1 1 1 A 65 65 GLU CB C 65 28.500 29.238 -0.738 1
1 785 . 1 1 1 A 65 65 GLU N N 65 117.800 118.262 -0.462 1
1 786 . 1 1 1 A 66 66 THR H H 66 7.370 7.969 -0.599 1
1 787 . 1 1 1 A 66 66 THR HA H 66 3.820 3.663 0.157 1
1 792 . 1 1 1 A 66 66 THR CA C 66 66.200 66.372 -0.172 1
1 793 . 1 1 1 A 66 66 THR CB C 66 68.200 68.374 -0.174 1
1 795 . 1 1 1 A 66 66 THR N N 66 117.800 118.024 -0.224 1
1 796 . 1 1 1 A 67 67 ALA H H 67 7.890 8.072 -0.182 1
1 797 . 1 1 1 A 67 67 ALA HA H 67 3.380 3.576 -0.196 1
1 801 . 1 1 1 A 67 67 ALA CA C 67 55.200 54.922 0.278 1
1 802 . 1 1 1 A 67 67 ALA CB C 67 17.400 17.023 0.377 1
1 803 . 1 1 1 A 67 67 ALA N N 67 123.900 123.681 0.219 1
1 804 . 1 1 1 A 68 68 SER H H 68 7.920 7.801 0.119 1
1 805 . 1 1 1 A 68 68 SER HA H 68 4.070 4.048 0.022 1
1 808 . 1 1 1 A 68 68 SER CA C 68 61.200 60.432 0.768 1
1 809 . 1 1 1 A 68 68 SER CB C 68 62.700 62.858 -0.158 1
1 810 . 1 1 1 A 68 68 SER N N 68 111.500 113.691 -2.191 1
1 811 . 1 1 1 A 69 69 ARG H H 69 7.840 7.801 0.039 1
1 812 . 1 1 1 A 69 69 ARG HA H 69 4.010 3.987 0.023 1
1 819 . 1 1 1 A 69 69 ARG CA C 69 58.700 58.879 -0.179 1
1 820 . 1 1 1 A 69 69 ARG CB C 69 30.000 29.887 0.113 1
1 823 . 1 1 1 A 69 69 ARG N N 69 121.200 121.810 -0.610 1
1 824 . 1 1 1 A 70 70 LEU H H 70 8.490 8.523 -0.033 1
1 825 . 1 1 1 A 70 70 LEU HA H 70 3.740 3.876 -0.136 1
1 835 . 1 1 1 A 70 70 LEU CA C 70 57.500 57.367 0.133 1
1 836 . 1 1 1 A 70 70 LEU CB C 70 41.100 41.612 -0.512 1
1 840 . 1 1 1 A 70 70 LEU N N 70 121.100 121.026 0.074 1
1 841 . 1 1 1 A 71 71 ARG H H 71 8.460 8.121 0.339 1
1 842 . 1 1 1 A 71 71 ARG HA H 71 3.540 3.810 -0.270 1
1 850 . 1 1 1 A 71 71 ARG CA C 71 60.700 59.704 0.996 1
1 851 . 1 1 1 A 71 71 ARG CB C 71 28.000 29.571 -1.571 1
1 854 . 1 1 1 A 71 71 ARG N N 71 119.800 119.300 0.500 1
1 856 . 1 1 1 A 72 72 GLY H H 72 7.530 7.871 -0.341 1
1 857 . 1 1 1 A 72 72 GLY HA2 H 72 3.980 3.741 0.239 1
1 858 . 1 1 1 A 72 72 GLY HA3 H 72 3.870 3.778 0.092 1
1 859 . 1 1 1 A 72 72 GLY CA C 72 47.100 47.161 -0.061 1
1 860 . 1 1 1 A 72 72 GLY N N 72 103.400 107.010 -3.610 1
1 861 . 1 1 1 A 73 73 ARG H H 73 7.800 7.602 0.198 1
1 862 . 1 1 1 A 73 73 ARG HA H 73 3.930 3.960 -0.030 1
1 869 . 1 1 1 A 73 73 ARG CA C 73 59.400 59.421 -0.021 1
1 870 . 1 1 1 A 73 73 ARG CB C 73 29.500 29.869 -0.369 1
1 873 . 1 1 1 A 73 73 ARG N N 73 122.800 121.523 1.277 1
1 874 . 1 1 1 A 74 74 ILE H H 74 8.420 8.320 0.100 1
1 875 . 1 1 1 A 74 74 ILE HA H 74 3.440 3.805 -0.365 1
1 885 . 1 1 1 A 74 74 ILE CA C 74 66.500 65.764 0.736 1
1 886 . 1 1 1 A 74 74 ILE CB C 74 38.300 37.738 0.562 1
1 890 . 1 1 1 A 74 74 ILE N N 74 118.800 120.643 -1.843 1
1 891 . 1 1 1 A 75 75 GLU H H 75 8.620 8.602 0.018 1
1 892 . 1 1 1 A 75 75 GLU HA H 75 3.840 4.000 -0.160 1
1 897 . 1 1 1 A 75 75 GLU CA C 75 59.900 60.015 -0.115 1
1 898 . 1 1 1 A 75 75 GLU CB C 75 29.400 29.418 -0.018 1
1 900 . 1 1 1 A 75 75 GLU N N 75 119.200 120.761 -1.561 1
1 901 . 1 1 1 A 76 76 SER H H 76 8.380 7.945 0.435 1
1 902 . 1 1 1 A 76 76 SER HA H 76 4.460 4.234 0.226 1
1 905 . 1 1 1 A 76 76 SER CA C 76 62.900 62.764 0.136 1
1 906 . 1 1 1 A 76 76 SER CB C 76 63.000 63.041 -0.041 1
1 907 . 1 1 1 A 76 76 SER N N 76 116.000 117.035 -1.035 1
1 908 . 1 1 1 A 77 77 VAL H H 77 8.190 7.873 0.317 1
1 909 . 1 1 1 A 77 77 VAL HA H 77 3.290 3.148 0.142 1
1 917 . 1 1 1 A 77 77 VAL CA C 77 66.800 66.685 0.115 1
1 918 . 1 1 1 A 77 77 VAL CB C 77 31.400 31.501 -0.101 1
1 921 . 1 1 1 A 77 77 VAL N N 77 122.800 121.721 1.079 1
1 922 . 1 1 1 A 78 78 LEU H H 78 8.590 8.485 0.105 1
1 923 . 1 1 1 A 78 78 LEU HA H 78 4.270 4.151 0.119 1
1 933 . 1 1 1 A 78 78 LEU CA C 78 57.800 58.227 -0.427 1
1 934 . 1 1 1 A 78 78 LEU CB C 78 40.900 40.836 0.064 1
1 938 . 1 1 1 A 78 78 LEU N N 78 116.900 118.851 -1.951 1
1 939 . 1 1 1 A 79 79 ASP H H 79 8.790 8.400 0.390 1
1 940 . 1 1 1 A 79 79 ASP HA H 79 4.730 4.374 0.356 1
1 943 . 1 1 1 A 79 79 ASP CA C 79 57.900 57.420 0.480 1
1 944 . 1 1 1 A 79 79 ASP CB C 79 40.400 41.644 -1.244 1
1 945 . 1 1 1 A 79 79 ASP N N 79 123.800 119.217 4.583 1
1 946 . 1 1 1 A 80 80 TRP H H 80 8.210 8.184 0.026 1
1 947 . 1 1 1 A 80 80 TRP HA H 80 4.380 4.388 -0.008 1
1 956 . 1 1 1 A 80 80 TRP CA C 80 61.600 61.474 0.126 1
1 957 . 1 1 1 A 80 80 TRP CB C 80 29.100 29.483 -0.383 1
1 963 . 1 1 1 A 80 80 TRP N N 80 123.700 121.709 1.991 1
1 965 . 1 1 1 A 81 81 ALA H H 81 8.980 8.621 0.359 1
1 966 . 1 1 1 A 81 81 ALA HA H 81 3.850 4.119 -0.269 1
1 970 . 1 1 1 A 81 81 ALA CA C 81 54.500 55.374 -0.874 1
1 971 . 1 1 1 A 81 81 ALA CB C 81 19.600 18.125 1.475 1
1 972 . 1 1 1 A 81 81 ALA N N 81 118.400 121.462 -3.062 1
1 973 . 1 1 1 A 82 82 THR H H 82 7.990 8.005 -0.015 1
1 974 . 1 1 1 A 82 82 THR HA H 82 4.310 4.035 0.275 1
1 979 . 1 1 1 A 82 82 THR CA C 82 65.800 66.689 -0.889 1
1 980 . 1 1 1 A 82 82 THR CB C 82 68.800 67.898 0.902 1
1 982 . 1 1 1 A 82 82 THR N N 82 116.400 114.891 1.509 1
1 983 . 1 1 1 A 83 83 VAL H H 83 7.970 8.050 -0.080 1
1 984 . 1 1 1 A 83 83 VAL HA H 83 3.720 3.477 0.243 1
1 992 . 1 1 1 A 83 83 VAL CA C 83 65.900 66.884 -0.984 1
1 993 . 1 1 1 A 83 83 VAL CB C 83 31.400 31.289 0.111 1
1 996 . 1 1 1 A 83 83 VAL N N 83 123.700 121.620 2.080 1
1 997 . 1 1 1 A 84 84 ARG H H 84 7.300 7.678 -0.378 1
1 998 . 1 1 1 A 84 84 ARG HA H 84 3.740 3.887 -0.147 1
1 1005 . 1 1 1 A 84 84 ARG CA C 84 55.300 56.084 -0.784 1
1 1006 . 1 1 1 A 84 84 ARG CB C 84 29.400 30.045 -0.645 1
1 1009 . 1 1 1 A 84 84 ARG N N 84 115.400 117.930 -2.530 1
1 1010 . 1 1 1 A 85 85 GLY H H 85 7.510 7.523 -0.013 1
1 1011 . 1 1 1 A 85 85 GLY HA2 H 85 4.010 3.766 0.244 1
1 1012 . 1 1 1 A 85 85 GLY HA3 H 85 3.830 3.868 -0.038 1
1 1013 . 1 1 1 A 85 85 GLY CA C 85 45.400 46.168 -0.768 1
1 1014 . 1 1 1 A 85 85 GLY N N 85 105.600 107.436 -1.836 1
1 1015 . 1 1 1 A 86 86 TYR H H 86 8.120 8.323 -0.203 1
1 1016 . 1 1 1 A 86 86 TYR HA H 86 4.740 4.733 0.007 1
1 1023 . 1 1 1 A 86 86 TYR CA C 86 55.800 58.126 -2.326 1
1 1024 . 1 1 1 A 86 86 TYR CB C 86 38.000 39.207 -1.207 1
1 1027 . 1 1 1 A 86 86 TYR N N 86 118.700 118.759 -0.059 1
1 1028 . 1 1 1 A 87 87 ARG H H 87 7.500 7.795 -0.295 1
1 1029 . 1 1 1 A 87 87 ARG HA H 87 4.710 4.468 0.242 1
1 1037 . 1 1 1 A 87 87 ARG CA C 87 54.100 56.497 -2.397 1
1 1038 . 1 1 1 A 87 87 ARG CB C 87 31.900 32.114 -0.214 1
1 1041 . 1 1 1 A 87 87 ARG N N 87 111.200 115.561 -4.361 1
1 1043 . 1 1 1 A 88 88 GLU H H 88 9.190 8.177 1.013 1
1 1044 . 1 1 1 A 88 88 GLU HA H 88 4.760 4.295 0.465 1
1 1049 . 1 1 1 A 88 88 GLU CA C 88 54.800 58.596 -3.796 1
1 1050 . 1 1 1 A 88 88 GLU CB C 88 32.500 28.538 3.962 1
1 1052 . 1 1 1 A 88 88 GLU N N 88 118.800 115.760 3.040 1
1 1053 . 1 1 1 A 89 89 GLY H H 89 8.580 8.688 -0.108 1
1 1054 . 1 1 1 A 89 89 GLY HA2 H 89 3.850 3.919 -0.069 1
1 1055 . 1 1 1 A 89 89 GLY HA3 H 89 4.500 3.921 0.579 1
1 1056 . 1 1 1 A 89 89 GLY CA C 89 43.700 46.602 -2.902 1
1 1057 . 1 1 1 A 89 89 GLY N N 89 107.900 109.678 -1.778 1
1 1058 . 1 1 1 A 90 90 ASP H H 90 8.630 8.456 0.174 1
1 1059 . 1 1 1 A 90 90 ASP HA H 90 4.480 5.366 -0.886 1
1 1062 . 1 1 1 A 90 90 ASP CA C 90 54.600 53.065 1.535 1
1 1063 . 1 1 1 A 90 90 ASP CB C 90 40.500 44.760 -4.260 1
1 1064 . 1 1 1 A 90 90 ASP N N 90 120.700 122.706 -2.006 1
1 1065 . 1 1 1 A 91 91 ASN H H 91 8.930 8.733 0.197 1
1 1066 . 1 1 1 A 91 91 ASN HA H 91 4.580 5.181 -0.601 1
1 1071 . 1 1 1 A 91 91 ASN CA C 91 51.100 50.142 0.958 1
1 1072 . 1 1 1 A 91 91 ASN CB C 91 39.100 38.954 0.146 1
1 1073 . 1 1 1 A 91 91 ASN N N 91 122.700 118.428 4.272 1
1 1075 . 1 1 1 A 92 92 PRO HA H 92 4.490 4.438 0.052 1
1 1082 . 1 1 1 A 92 92 PRO CA C 92 63.500 63.905 -0.405 1
1 1083 . 1 1 1 A 92 92 PRO CB C 92 32.300 31.759 0.541 1
1 1086 . 1 1 1 A 93 93 ALA H H 93 8.610 8.237 0.373 1
1 1087 . 1 1 1 A 93 93 ALA HA H 93 4.450 4.095 0.355 1
1 1091 . 1 1 1 A 93 93 ALA CA C 93 52.000 52.541 -0.541 1
1 1092 . 1 1 1 A 93 93 ALA CB C 93 18.100 19.307 -1.207 1
1 1093 . 1 1 1 A 93 93 ALA N N 93 120.500 120.654 -0.154 1
1 1094 . 1 1 1 A 94 94 ARG H H 94 7.280 7.829 -0.549 1
1 1095 . 1 1 1 A 94 94 ARG HA H 94 3.830 4.156 -0.326 1
1 1102 . 1 1 1 A 94 94 ARG CA C 94 55.500 58.987 -3.487 1
1 1103 . 1 1 1 A 94 94 ARG CB C 94 30.500 29.843 0.657 1
1 1106 . 1 1 1 A 94 94 ARG N N 94 118.100 118.751 -0.651 1
1 1107 . 1 1 1 A 95 95 TRP H H 95 7.310 7.676 -0.366 1
1 1108 . 1 1 1 A 95 95 TRP HA H 95 4.610 4.552 0.058 1
1 1117 . 1 1 1 A 95 95 TRP CA C 95 55.200 57.989 -2.789 1
1 1118 . 1 1 1 A 95 95 TRP CB C 95 29.500 28.380 1.120 1
1 1124 . 1 1 1 A 95 95 TRP N N 95 121.200 119.015 2.185 1
1 1126 . 1 1 1 A 96 96 ARG H H 96 8.380 8.888 -0.508 1
1 1127 . 1 1 1 A 96 96 ARG HA H 96 4.140 4.512 -0.372 1
1 1134 . 1 1 1 A 96 96 ARG CA C 96 57.200 55.417 1.783 1
1 1135 . 1 1 1 A 96 96 ARG CB C 96 29.900 29.854 0.046 1
1 1138 . 1 1 1 A 96 96 ARG N N 96 122.100 123.289 -1.189 1
1 1139 . 1 1 1 A 97 97 GLY H H 97 7.920 7.471 0.449 1
1 1140 . 1 1 1 A 97 97 GLY HA2 H 97 3.710 3.876 -0.166 1
1 1141 . 1 1 1 A 97 97 GLY HA3 H 97 3.630 4.095 -0.465 1
1 1142 . 1 1 1 A 97 97 GLY CA C 97 45.700 45.442 0.258 1
1 1143 . 1 1 1 A 97 97 GLY N N 97 110.500 108.513 1.987 1
1 1144 . 1 1 1 A 98 98 TYR H H 98 7.770 8.151 -0.381 1
1 1145 . 1 1 1 A 98 98 TYR HA H 98 4.090 4.641 -0.551 1
1 1152 . 1 1 1 A 98 98 TYR CA C 98 59.900 56.778 3.122 1
1 1153 . 1 1 1 A 98 98 TYR CB C 98 37.100 39.744 -2.644 1
1 1156 . 1 1 1 A 98 98 TYR N N 98 120.400 122.088 -1.688 1
1 1157 . 1 1 1 A 99 99 LEU H H 99 7.820 8.677 -0.857 1
1 1158 . 1 1 1 A 99 99 LEU HA H 99 3.890 3.915 -0.025 1
1 1168 . 1 1 1 A 99 99 LEU CA C 99 55.600 56.130 -0.530 1
1 1169 . 1 1 1 A 99 99 LEU CB C 99 41.600 40.250 1.350 1
1 1173 . 1 1 1 A 99 99 LEU N N 99 120.700 118.339 2.361 1
1 1174 . 1 1 1 A 100 100 GLU H H 100 7.680 7.984 -0.304 1
1 1175 . 1 1 1 A 100 100 GLU HA H 100 3.900 4.012 -0.112 1
1 1180 . 1 1 1 A 100 100 GLU CA C 100 56.500 57.418 -0.918 1
1 1181 . 1 1 1 A 100 100 GLU CB C 100 29.500 29.998 -0.498 1
1 13 . 2 1 1 A 2 2 THR H H 2 9.230 9.310 -0.080 1
1 14 . 2 1 1 A 2 2 THR HA H 2 5.080 4.764 0.316 1
1 19 . 2 1 1 A 2 2 THR CA C 2 61.000 60.814 0.186 1
1 20 . 2 1 1 A 2 2 THR CB C 2 70.800 71.249 -0.449 1
1 22 . 2 1 1 A 2 2 THR N N 2 119.100 117.252 1.848 1
1 23 . 2 1 1 A 3 3 PHE H H 3 9.290 9.623 -0.333 1
1 24 . 2 1 1 A 3 3 PHE HA H 3 3.880 4.184 -0.304 1
1 32 . 2 1 1 A 3 3 PHE CA C 3 63.900 62.313 1.587 1
1 33 . 2 1 1 A 3 3 PHE CB C 3 38.800 39.182 -0.382 1
1 37 . 2 1 1 A 3 3 PHE N N 3 122.600 123.503 -0.903 1
1 38 . 2 1 1 A 4 4 SER H H 4 9.930 8.481 1.449 1
1 39 . 2 1 1 A 4 4 SER HA H 4 4.000 4.063 -0.063 1
1 42 . 2 1 1 A 4 4 SER CA C 4 62.800 61.786 1.014 1
1 43 . 2 1 1 A 4 4 SER CB C 4 62.600 62.907 -0.307 1
1 44 . 2 1 1 A 4 4 SER N N 4 116.300 114.065 2.235 1
1 45 . 2 1 1 A 5 5 GLU H H 5 7.980 7.564 0.416 1
1 46 . 2 1 1 A 5 5 GLU HA H 5 3.990 4.058 -0.068 1
1 51 . 2 1 1 A 5 5 GLU CA C 5 58.800 58.934 -0.134 1
1 52 . 2 1 1 A 5 5 GLU CB C 5 29.700 29.853 -0.153 1
1 54 . 2 1 1 A 5 5 GLU N N 5 122.800 121.178 1.622 1
1 55 . 2 1 1 A 6 6 CYS H H 6 8.430 8.074 0.356 1
1 56 . 2 1 1 A 6 6 CYS HA H 6 4.120 4.223 -0.103 1
1 59 . 2 1 1 A 6 6 CYS CA C 6 63.300 61.911 1.389 1
1 60 . 2 1 1 A 6 6 CYS CB C 6 27.100 26.925 0.175 1
1 61 . 2 1 1 A 6 6 CYS N N 6 120.100 119.399 0.701 1
1 62 . 2 1 1 A 7 7 ALA H H 7 8.770 8.245 0.525 1
1 63 . 2 1 1 A 7 7 ALA HA H 7 3.790 3.917 -0.127 1
1 67 . 2 1 1 A 7 7 ALA CA C 7 55.200 54.913 0.287 1
1 68 . 2 1 1 A 7 7 ALA CB C 7 17.400 17.834 -0.434 1
1 69 . 2 1 1 A 7 7 ALA N N 7 120.400 122.405 -2.005 1
1 70 . 2 1 1 A 8 8 ALA H H 8 7.800 7.907 -0.107 1
1 71 . 2 1 1 A 8 8 ALA HA H 8 4.130 4.155 -0.025 1
1 75 . 2 1 1 A 8 8 ALA CA C 8 55.200 55.046 0.154 1
1 76 . 2 1 1 A 8 8 ALA CB C 8 17.700 17.950 -0.250 1
1 77 . 2 1 1 A 8 8 ALA N N 8 119.200 120.774 -1.574 1
1 78 . 2 1 1 A 9 9 LEU H H 9 8.120 8.237 -0.117 1
1 79 . 2 1 1 A 9 9 LEU HA H 9 4.080 3.980 0.100 1
1 89 . 2 1 1 A 9 9 LEU CA C 9 57.700 57.861 -0.161 1
1 90 . 2 1 1 A 9 9 LEU CB C 9 42.000 42.203 -0.203 1
1 94 . 2 1 1 A 9 9 LEU N N 9 120.300 119.255 1.045 1
1 95 . 2 1 1 A 10 10 TYR H H 10 8.700 8.432 0.268 1
1 96 . 2 1 1 A 10 10 TYR HA H 10 2.330 2.997 -0.667 1
1 103 . 2 1 1 A 10 10 TYR CA C 10 62.000 60.956 1.044 1
1 104 . 2 1 1 A 10 10 TYR CB C 10 38.100 38.295 -0.195 1
1 107 . 2 1 1 A 10 10 TYR N N 10 122.900 118.536 4.364 1
1 108 . 2 1 1 A 11 11 ILE H H 11 8.600 8.533 0.067 1
1 109 . 2 1 1 A 11 11 ILE HA H 11 3.270 3.499 -0.229 1
1 119 . 2 1 1 A 11 11 ILE CA C 11 65.600 65.151 0.449 1
1 120 . 2 1 1 A 11 11 ILE CB C 11 38.200 37.760 0.440 1
1 124 . 2 1 1 A 11 11 ILE N N 11 123.900 121.365 2.535 1
1 125 . 2 1 1 A 12 12 LYS H H 12 7.910 7.880 0.030 1
1 126 . 2 1 1 A 12 12 LYS HA H 12 3.870 3.966 -0.096 1
1 135 . 2 1 1 A 12 12 LYS CA C 12 59.900 59.259 0.641 1
1 136 . 2 1 1 A 12 12 LYS CB C 12 32.600 32.236 0.364 1
1 140 . 2 1 1 A 12 12 LYS N N 12 120.600 119.547 1.053 1
1 141 . 2 1 1 A 13 13 ALA H H 13 7.790 7.979 -0.189 1
1 142 . 2 1 1 A 13 13 ALA HA H 13 4.100 4.033 0.067 1
1 146 . 2 1 1 A 13 13 ALA CA C 13 53.200 54.655 -1.455 1
1 147 . 2 1 1 A 13 13 ALA CB C 13 18.200 18.676 -0.476 1
1 148 . 2 1 1 A 13 13 ALA N N 13 118.100 121.098 -2.998 1
1 149 . 2 1 1 A 14 14 HIS H H 14 7.160 7.504 -0.344 1
1 150 . 2 1 1 A 14 14 HIS HA H 14 3.990 4.059 -0.069 1
1 155 . 2 1 1 A 14 14 HIS CA C 14 56.500 55.569 0.931 1
1 156 . 2 1 1 A 14 14 HIS CB C 14 27.000 29.082 -2.082 1
1 159 . 2 1 1 A 14 14 HIS N N 14 113.200 117.684 -4.484 1
1 160 . 2 1 1 A 15 15 ARG H H 15 7.420 8.022 -0.602 1
1 161 . 2 1 1 A 15 15 ARG HA H 15 3.760 3.232 0.528 1
1 168 . 2 1 1 A 15 15 ARG CA C 15 59.800 58.058 1.742 1
1 169 . 2 1 1 A 15 15 ARG CB C 15 29.800 29.633 0.167 1
1 172 . 2 1 1 A 15 15 ARG N N 15 121.100 118.825 2.275 1
1 173 . 2 1 1 A 16 16 SER H H 16 8.540 7.630 0.910 1
1 174 . 2 1 1 A 16 16 SER HA H 16 4.230 4.348 -0.118 1
1 177 . 2 1 1 A 16 16 SER CA C 16 60.800 60.535 0.265 1
1 178 . 2 1 1 A 16 16 SER CB C 16 62.200 62.667 -0.467 1
1 179 . 2 1 1 A 16 16 SER N N 16 114.100 115.328 -1.228 1
1 180 . 2 1 1 A 17 17 SER H H 17 7.680 6.994 0.686 1
1 181 . 2 1 1 A 17 17 SER HA H 17 4.370 4.225 0.145 1
1 184 . 2 1 1 A 17 17 SER CA C 17 59.800 59.457 0.343 1
1 185 . 2 1 1 A 17 17 SER CB C 17 63.100 62.733 0.367 1
1 186 . 2 1 1 A 17 17 SER N N 17 116.700 113.759 2.941 1
1 187 . 2 1 1 A 18 18 TRP H H 18 7.640 7.385 0.255 1
1 188 . 2 1 1 A 18 18 TRP HA H 18 4.990 4.783 0.207 1
1 197 . 2 1 1 A 18 18 TRP CA C 18 55.200 56.614 -1.414 1
1 198 . 2 1 1 A 18 18 TRP CB C 18 29.500 29.675 -0.175 1
1 204 . 2 1 1 A 18 18 TRP N N 18 121.200 119.391 1.809 1
1 206 . 2 1 1 A 19 19 LYS H H 19 7.920 7.999 -0.079 1
1 207 . 2 1 1 A 19 19 LYS HA H 19 4.180 4.128 0.052 1
1 216 . 2 1 1 A 19 19 LYS CA C 19 58.100 58.324 -0.224 1
1 217 . 2 1 1 A 19 19 LYS CB C 19 32.200 31.010 1.190 1
1 221 . 2 1 1 A 19 19 LYS N N 19 121.100 117.335 3.765 1
1 222 . 2 1 1 A 20 20 ASN H H 20 8.630 8.566 0.064 1
1 223 . 2 1 1 A 20 20 ASN HA H 20 4.760 4.538 0.222 1
1 228 . 2 1 1 A 20 20 ASN CA C 20 53.600 53.402 0.198 1
1 229 . 2 1 1 A 20 20 ASN CB C 20 38.200 37.224 0.976 1
1 230 . 2 1 1 A 20 20 ASN N N 20 116.500 121.437 -4.937 1
1 232 . 2 1 1 A 21 21 THR H H 21 8.320 7.987 0.333 1
1 233 . 2 1 1 A 21 21 THR HA H 21 4.470 4.807 -0.337 1
1 238 . 2 1 1 A 21 21 THR CA C 21 62.500 59.664 2.836 1
1 239 . 2 1 1 A 21 21 THR CB C 21 70.700 70.607 0.093 1
1 241 . 2 1 1 A 21 21 THR N N 21 113.700 116.189 -2.489 1
1 242 . 2 1 1 A 22 22 LYS H H 22 8.440 8.544 -0.104 1
1 243 . 2 1 1 A 22 22 LYS HA H 22 4.500 4.451 0.049 1
1 252 . 2 1 1 A 22 22 LYS CA C 22 56.700 56.750 -0.050 1
1 253 . 2 1 1 A 22 22 LYS CB C 22 31.700 31.843 -0.143 1
1 257 . 2 1 1 A 22 22 LYS N N 22 120.900 119.553 1.347 1
1 258 . 2 1 1 A 23 23 HIS H H 23 8.110 7.592 0.518 1
1 259 . 2 1 1 A 23 23 HIS HA H 23 4.450 4.310 0.140 1
1 264 . 2 1 1 A 23 23 HIS CA C 23 57.300 59.840 -2.540 1
1 265 . 2 1 1 A 23 23 HIS CB C 23 27.900 29.380 -1.480 1
1 268 . 2 1 1 A 23 23 HIS N N 23 116.800 118.896 -2.096 1
1 269 . 2 1 1 A 24 24 ALA H H 24 8.490 8.293 0.197 1
1 270 . 2 1 1 A 24 24 ALA HA H 24 4.000 3.897 0.103 1
1 274 . 2 1 1 A 24 24 ALA CA C 24 55.700 55.275 0.425 1
1 275 . 2 1 1 A 24 24 ALA CB C 24 18.000 18.372 -0.372 1
1 276 . 2 1 1 A 24 24 ALA N N 24 121.700 122.212 -0.512 1
1 277 . 2 1 1 A 25 25 ASP H H 25 8.370 8.322 0.048 1
1 278 . 2 1 1 A 25 25 ASP HA H 25 4.450 4.370 0.080 1
1 281 . 2 1 1 A 25 25 ASP CA C 25 56.800 57.616 -0.816 1
1 282 . 2 1 1 A 25 25 ASP CB C 25 40.200 41.253 -1.053 1
1 283 . 2 1 1 A 25 25 ASP N N 25 119.100 118.668 0.432 1
1 284 . 2 1 1 A 26 26 GLN H H 26 8.020 8.179 -0.159 1
1 285 . 2 1 1 A 26 26 GLN HA H 26 4.250 4.058 0.192 1
1 292 . 2 1 1 A 26 26 GLN CA C 26 58.600 59.135 -0.535 1
1 293 . 2 1 1 A 26 26 GLN CB C 26 28.500 28.242 0.258 1
1 295 . 2 1 1 A 26 26 GLN N N 26 119.500 117.163 2.337 1
1 297 . 2 1 1 A 27 27 TRP H H 27 8.610 8.203 0.407 1
1 298 . 2 1 1 A 27 27 TRP HA H 27 3.840 4.476 -0.636 1
1 307 . 2 1 1 A 27 27 TRP CA C 27 62.400 60.065 2.335 1
1 308 . 2 1 1 A 27 27 TRP CB C 27 28.300 29.487 -1.187 1
1 314 . 2 1 1 A 27 27 TRP N N 27 122.000 120.790 1.210 1
1 316 . 2 1 1 A 28 28 THR H H 28 8.460 8.546 -0.086 1
1 317 . 2 1 1 A 28 28 THR HA H 28 3.790 4.095 -0.305 1
1 322 . 2 1 1 A 28 28 THR CA C 28 67.000 67.515 -0.515 1
1 323 . 2 1 1 A 28 28 THR CB C 28 68.900 68.345 0.555 1
1 325 . 2 1 1 A 28 28 THR N N 28 114.800 114.918 -0.118 1
1 326 . 2 1 1 A 29 29 ASN H H 29 8.650 9.061 -0.411 1
1 327 . 2 1 1 A 29 29 ASN HA H 29 4.530 4.426 0.104 1
1 332 . 2 1 1 A 29 29 ASN CA C 29 56.600 56.407 0.193 1
1 333 . 2 1 1 A 29 29 ASN CB C 29 38.400 39.329 -0.929 1
1 334 . 2 1 1 A 29 29 ASN N N 29 118.500 119.583 -1.083 1
1 336 . 2 1 1 A 30 30 THR H H 30 8.170 8.043 0.127 1
1 337 . 2 1 1 A 30 30 THR HA H 30 4.160 3.977 0.183 1
1 342 . 2 1 1 A 30 30 THR CA C 30 66.100 65.629 0.471 1
1 343 . 2 1 1 A 30 30 THR CB C 30 69.300 68.642 0.658 1
1 345 . 2 1 1 A 30 30 THR N N 30 113.100 113.725 -0.625 1
1 346 . 2 1 1 A 31 31 ILE H H 31 8.030 7.860 0.170 1
1 347 . 2 1 1 A 31 31 ILE HA H 31 3.850 3.691 0.159 1
1 357 . 2 1 1 A 31 31 ILE CA C 31 65.200 65.657 -0.457 1
1 358 . 2 1 1 A 31 31 ILE CB C 31 36.300 37.594 -1.294 1
1 362 . 2 1 1 A 31 31 ILE N N 31 122.000 123.650 -1.650 1
1 363 . 2 1 1 A 32 32 LYS H H 32 8.320 8.700 -0.380 1
1 364 . 2 1 1 A 32 32 LYS HA H 32 4.090 4.010 0.080 1
1 373 . 2 1 1 A 32 32 LYS CA C 32 60.500 59.568 0.932 1
1 374 . 2 1 1 A 32 32 LYS CB C 32 32.500 32.150 0.350 1
1 378 . 2 1 1 A 32 32 LYS N N 32 121.300 121.793 -0.493 1
1 379 . 2 1 1 A 33 33 THR H H 33 8.160 7.339 0.821 1
1 380 . 2 1 1 A 33 33 THR HA H 33 3.690 3.920 -0.230 1
1 385 . 2 1 1 A 33 33 THR CA C 33 66.500 66.280 0.220 1
1 386 . 2 1 1 A 33 33 THR CB C 33 69.200 68.921 0.279 1
1 388 . 2 1 1 A 33 33 THR N N 33 113.400 116.452 -3.052 1
1 389 . 2 1 1 A 34 34 TYR H H 34 7.640 8.296 -0.656 1
1 390 . 2 1 1 A 34 34 TYR HA H 34 4.670 4.358 0.312 1
1 397 . 2 1 1 A 34 34 TYR CA C 34 59.800 60.486 -0.686 1
1 398 . 2 1 1 A 34 34 TYR CB C 34 39.800 38.839 0.961 1
1 401 . 2 1 1 A 34 34 TYR N N 34 113.700 119.040 -5.340 1
1 402 . 2 1 1 A 35 35 CYS H H 35 8.170 8.344 -0.174 1
1 403 . 2 1 1 A 35 35 CYS HA H 35 4.470 4.386 0.084 1
1 406 . 2 1 1 A 35 35 CYS CA C 35 60.700 61.777 -1.077 1
1 407 . 2 1 1 A 35 35 CYS CB C 35 27.700 27.927 -0.227 1
1 408 . 2 1 1 A 35 35 CYS N N 35 113.100 118.420 -5.320 1
1 409 . 2 1 1 A 36 36 GLY H H 36 8.110 8.272 -0.162 1
1 410 . 2 1 1 A 36 36 GLY HA2 H 36 3.880 3.811 0.069 1
1 411 . 2 1 1 A 36 36 GLY HA3 H 36 4.480 3.852 0.628 1
1 412 . 2 1 1 A 36 36 GLY CA C 36 49.400 48.278 1.122 1
1 413 . 2 1 1 A 36 36 GLY N N 36 110.800 109.716 1.084 1
1 414 . 2 1 1 A 37 37 PRO HA H 37 4.470 4.385 0.085 1
1 421 . 2 1 1 A 37 37 PRO CA C 37 64.400 64.787 -0.387 1
1 422 . 2 1 1 A 37 37 PRO CB C 37 32.700 31.296 1.404 1
1 425 . 2 1 1 A 38 38 VAL H H 38 7.270 7.821 -0.551 1
1 426 . 2 1 1 A 38 38 VAL HA H 38 4.190 3.905 0.285 1
1 434 . 2 1 1 A 38 38 VAL CA C 38 63.600 63.953 -0.353 1
1 435 . 2 1 1 A 38 38 VAL CB C 38 34.800 32.227 2.573 1
1 438 . 2 1 1 A 38 38 VAL N N 38 113.900 115.956 -2.056 1
1 439 . 2 1 1 A 39 39 ILE H H 39 7.590 7.842 -0.252 1
1 440 . 2 1 1 A 39 39 ILE HA H 39 4.590 4.424 0.166 1
1 450 . 2 1 1 A 39 39 ILE CA C 39 60.500 60.582 -0.082 1
1 451 . 2 1 1 A 39 39 ILE CB C 39 39.500 38.056 1.444 1
1 455 . 2 1 1 A 39 39 ILE N N 39 107.400 114.860 -7.460 1
1 456 . 2 1 1 A 40 40 GLY H H 40 7.670 7.941 -0.271 1
1 457 . 2 1 1 A 40 40 GLY HA2 H 40 4.040 3.904 0.136 1
1 458 . 2 1 1 A 40 40 GLY HA3 H 40 4.430 4.018 0.412 1
1 459 . 2 1 1 A 40 40 GLY CA C 40 49.400 48.285 1.115 1
1 460 . 2 1 1 A 40 40 GLY N N 40 109.200 112.437 -3.237 1
1 461 . 2 1 1 A 41 41 PRO HA H 41 4.770 4.514 0.256 1
1 468 . 2 1 1 A 41 41 PRO CA C 41 63.200 64.008 -0.808 1
1 469 . 2 1 1 A 41 41 PRO CB C 41 31.800 32.128 -0.328 1
1 472 . 2 1 1 A 42 42 LEU H H 42 7.540 7.563 -0.023 1
1 473 . 2 1 1 A 42 42 LEU HA H 42 4.320 4.370 -0.050 1
1 483 . 2 1 1 A 42 42 LEU CA C 42 54.000 54.379 -0.379 1
1 484 . 2 1 1 A 42 42 LEU CB C 42 42.000 42.937 -0.937 1
1 488 . 2 1 1 A 42 42 LEU N N 42 119.600 120.126 -0.526 1
1 489 . 2 1 1 A 43 43 SER H H 43 8.880 8.802 0.078 1
1 490 . 2 1 1 A 43 43 SER HA H 43 4.510 4.774 -0.264 1
1 493 . 2 1 1 A 43 43 SER CA C 43 58.600 58.679 -0.079 1
1 494 . 2 1 1 A 43 43 SER CB C 43 63.000 63.483 -0.483 1
1 495 . 2 1 1 A 43 43 SER N N 43 116.100 118.448 -2.348 1
1 496 . 2 1 1 A 44 44 VAL H H 44 9.020 8.759 0.261 1
1 497 . 2 1 1 A 44 44 VAL HA H 44 3.920 4.150 -0.230 1
1 505 . 2 1 1 A 44 44 VAL CA C 44 65.900 64.932 0.968 1
1 506 . 2 1 1 A 44 44 VAL CB C 44 32.100 31.968 0.132 1
1 509 . 2 1 1 A 44 44 VAL N N 44 124.400 126.686 -2.286 1
1 510 . 2 1 1 A 45 45 GLN H H 45 8.700 7.612 1.088 1
1 511 . 2 1 1 A 45 45 GLN HA H 45 4.170 4.051 0.119 1
1 518 . 2 1 1 A 45 45 GLN CA C 45 57.400 58.845 -1.445 1
1 519 . 2 1 1 A 45 45 GLN CB C 45 29.000 28.161 0.839 1
1 521 . 2 1 1 A 45 45 GLN N N 45 120.500 120.614 -0.114 1
1 523 . 2 1 1 A 46 46 ASP H H 46 7.870 7.894 -0.024 1
1 524 . 2 1 1 A 46 46 ASP HA H 46 4.720 4.607 0.113 1
1 527 . 2 1 1 A 46 46 ASP CA C 46 54.400 55.660 -1.260 1
1 528 . 2 1 1 A 46 46 ASP CB C 46 40.800 41.088 -0.288 1
1 529 . 2 1 1 A 46 46 ASP N N 46 117.200 117.850 -0.650 1
1 530 . 2 1 1 A 47 47 VAL H H 47 6.970 7.439 -0.469 1
1 531 . 2 1 1 A 47 47 VAL HA H 47 3.490 3.908 -0.418 1
1 539 . 2 1 1 A 47 47 VAL CA C 47 65.200 63.102 2.098 1
1 540 . 2 1 1 A 47 47 VAL CB C 47 31.100 31.673 -0.573 1
1 543 . 2 1 1 A 47 47 VAL N N 47 118.500 121.374 -2.874 1
1 544 . 2 1 1 A 48 48 ASP H H 48 7.220 8.383 -1.163 1
1 545 . 2 1 1 A 48 48 ASP HA H 48 4.910 5.025 -0.115 1
1 548 . 2 1 1 A 48 48 ASP CA C 48 51.600 52.093 -0.493 1
1 549 . 2 1 1 A 48 48 ASP CB C 48 42.700 43.774 -1.074 1
1 550 . 2 1 1 A 48 48 ASP N N 48 128.000 128.534 -0.534 1
1 551 . 2 1 1 A 49 49 THR H H 49 8.490 8.940 -0.450 1
1 552 . 2 1 1 A 49 49 THR HA H 49 3.770 3.723 0.047 1
1 557 . 2 1 1 A 49 49 THR CA C 49 67.300 66.341 0.959 1
1 558 . 2 1 1 A 49 49 THR CB C 49 68.900 68.807 0.093 1
1 560 . 2 1 1 A 49 49 THR N N 49 115.800 119.198 -3.398 1
1 561 . 2 1 1 A 50 50 LYS H H 50 7.860 8.568 -0.708 1
1 562 . 2 1 1 A 50 50 LYS HA H 50 3.860 4.091 -0.231 1
1 571 . 2 1 1 A 50 50 LYS CA C 50 60.000 59.578 0.422 1
1 572 . 2 1 1 A 50 50 LYS CB C 50 31.600 31.537 0.063 1
1 576 . 2 1 1 A 50 50 LYS N N 50 120.500 121.351 -0.851 1
1 577 . 2 1 1 A 51 51 LEU H H 51 8.190 8.132 0.058 1
1 578 . 2 1 1 A 51 51 LEU HA H 51 4.050 4.059 -0.009 1
1 588 . 2 1 1 A 51 51 LEU CA C 51 57.600 58.154 -0.554 1
1 589 . 2 1 1 A 51 51 LEU CB C 51 42.400 41.671 0.729 1
1 593 . 2 1 1 A 51 51 LEU N N 51 120.600 119.127 1.473 1
1 594 . 2 1 1 A 52 52 ILE H H 52 7.850 8.229 -0.379 1
1 595 . 2 1 1 A 52 52 ILE HA H 52 3.440 3.612 -0.172 1
1 605 . 2 1 1 A 52 52 ILE CA C 52 65.200 64.906 0.294 1
1 606 . 2 1 1 A 52 52 ILE CB C 52 36.700 37.703 -1.003 1
1 610 . 2 1 1 A 52 52 ILE N N 52 118.600 119.886 -1.286 1
1 611 . 2 1 1 A 53 53 MET H H 53 8.540 8.177 0.363 1
1 612 . 2 1 1 A 53 53 MET HA H 53 4.040 4.177 -0.137 1
1 620 . 2 1 1 A 53 53 MET CA C 53 59.000 59.358 -0.358 1
1 621 . 2 1 1 A 53 53 MET CB C 53 31.300 32.743 -1.443 1
1 624 . 2 1 1 A 53 53 MET N N 53 118.600 118.468 0.132 1
1 625 . 2 1 1 A 54 54 LYS H H 54 7.620 7.687 -0.067 1
1 626 . 2 1 1 A 54 54 LYS HA H 54 4.140 4.119 0.021 1
1 635 . 2 1 1 A 54 54 LYS CA C 54 59.200 58.951 0.249 1
1 636 . 2 1 1 A 54 54 LYS CB C 54 32.300 32.574 -0.274 1
1 640 . 2 1 1 A 54 54 LYS N N 54 119.100 118.983 0.117 1
1 641 . 2 1 1 A 55 55 VAL H H 55 7.560 7.999 -0.439 1
1 642 . 2 1 1 A 55 55 VAL HA H 55 3.670 3.679 -0.009 1
1 650 . 2 1 1 A 55 55 VAL CA C 55 65.600 66.284 -0.684 1
1 651 . 2 1 1 A 55 55 VAL CB C 55 31.900 31.771 0.129 1
1 654 . 2 1 1 A 55 55 VAL N N 55 117.200 120.001 -2.801 1
1 655 . 2 1 1 A 56 56 LEU H H 56 7.790 8.116 -0.326 1
1 656 . 2 1 1 A 56 56 LEU HA H 56 3.900 3.951 -0.051 1
1 666 . 2 1 1 A 56 56 LEU CA C 56 56.400 56.947 -0.547 1
1 667 . 2 1 1 A 56 56 LEU CB C 56 42.700 42.174 0.526 1
1 671 . 2 1 1 A 56 56 LEU N N 56 114.400 118.666 -4.266 1
1 672 . 2 1 1 A 57 57 ASP H H 57 8.850 8.241 0.609 1
1 673 . 2 1 1 A 57 57 ASP HA H 57 4.140 4.643 -0.503 1
1 676 . 2 1 1 A 57 57 ASP CA C 57 59.100 59.397 -0.297 1
1 677 . 2 1 1 A 57 57 ASP CB C 57 38.200 38.200 0.000 1
1 678 . 2 1 1 A 57 57 ASP N N 57 120.500 121.450 -0.950 1
1 679 . 2 1 1 A 58 58 PRO HA H 58 4.520 4.580 -0.060 1
1 686 . 2 1 1 A 58 58 PRO CA C 58 65.300 65.002 0.298 1
1 687 . 2 1 1 A 58 58 PRO CB C 58 31.700 31.360 0.340 1
1 690 . 2 1 1 A 59 59 ILE H H 59 7.400 7.404 -0.004 1
1 691 . 2 1 1 A 59 59 ILE HA H 59 4.060 3.822 0.238 1
1 701 . 2 1 1 A 59 59 ILE CA C 59 62.300 63.679 -1.379 1
1 702 . 2 1 1 A 59 59 ILE CB C 59 39.300 36.471 2.829 1
1 706 . 2 1 1 A 59 59 ILE N N 59 113.300 116.409 -3.109 1
1 707 . 2 1 1 A 60 60 TRP H H 60 8.000 8.202 -0.202 1
1 708 . 2 1 1 A 60 60 TRP HA H 60 3.830 4.393 -0.563 1
1 717 . 2 1 1 A 60 60 TRP CA C 60 61.300 60.111 1.189 1
1 718 . 2 1 1 A 60 60 TRP CB C 60 29.700 29.305 0.395 1
1 724 . 2 1 1 A 60 60 TRP N N 60 120.900 121.072 -0.172 1
1 726 . 2 1 1 A 61 61 GLU H H 61 7.840 8.299 -0.459 1
1 727 . 2 1 1 A 61 61 GLU HA H 61 4.110 4.283 -0.173 1
1 732 . 2 1 1 A 61 61 GLU CA C 61 58.100 58.717 -0.617 1
1 733 . 2 1 1 A 61 61 GLU CB C 61 29.500 29.665 -0.165 1
1 735 . 2 1 1 A 61 61 GLU N N 61 112.300 119.768 -7.468 1
1 736 . 2 1 1 A 62 62 GLN H H 62 7.710 7.666 0.044 1
1 737 . 2 1 1 A 62 62 GLN HA H 62 4.400 4.452 -0.052 1
1 744 . 2 1 1 A 62 62 GLN CA C 62 57.200 57.025 0.175 1
1 745 . 2 1 1 A 62 62 GLN CB C 62 30.800 30.145 0.655 1
1 747 . 2 1 1 A 62 62 GLN N N 62 115.200 116.674 -1.474 1
1 749 . 2 1 1 A 63 63 LYS H H 63 8.500 8.292 0.208 1
1 750 . 2 1 1 A 63 63 LYS HA H 63 4.860 4.710 0.150 1
1 759 . 2 1 1 A 63 63 LYS CA C 63 53.300 53.726 -0.426 1
1 760 . 2 1 1 A 63 63 LYS CB C 63 33.800 32.919 0.881 1
1 764 . 2 1 1 A 63 63 LYS N N 63 117.800 118.451 -0.651 1
1 765 . 2 1 1 A 64 64 PRO HA H 64 4.110 4.173 -0.063 1
1 772 . 2 1 1 A 64 64 PRO CA C 64 66.000 65.695 0.305 1
1 773 . 2 1 1 A 64 64 PRO CB C 64 31.500 31.823 -0.323 1
1 776 . 2 1 1 A 65 65 GLU H H 65 8.680 9.040 -0.360 1
1 777 . 2 1 1 A 65 65 GLU HA H 65 4.120 3.980 0.140 1
1 782 . 2 1 1 A 65 65 GLU CA C 65 59.300 59.466 -0.166 1
1 783 . 2 1 1 A 65 65 GLU CB C 65 28.500 29.171 -0.671 1
1 785 . 2 1 1 A 65 65 GLU N N 65 117.800 120.444 -2.644 1
1 786 . 2 1 1 A 66 66 THR H H 66 7.370 7.910 -0.540 1
1 787 . 2 1 1 A 66 66 THR HA H 66 3.820 3.682 0.138 1
1 792 . 2 1 1 A 66 66 THR CA C 66 66.200 66.205 -0.005 1
1 793 . 2 1 1 A 66 66 THR CB C 66 68.200 68.326 -0.126 1
1 795 . 2 1 1 A 66 66 THR N N 66 117.800 117.545 0.255 1
1 796 . 2 1 1 A 67 67 ALA H H 67 7.890 8.057 -0.167 1
1 797 . 2 1 1 A 67 67 ALA HA H 67 3.380 3.569 -0.189 1
1 801 . 2 1 1 A 67 67 ALA CA C 67 55.200 54.822 0.378 1
1 802 . 2 1 1 A 67 67 ALA CB C 67 17.400 17.114 0.286 1
1 803 . 2 1 1 A 67 67 ALA N N 67 123.900 123.766 0.134 1
1 804 . 2 1 1 A 68 68 SER H H 68 7.920 7.376 0.544 1
1 805 . 2 1 1 A 68 68 SER HA H 68 4.070 3.996 0.074 1
1 808 . 2 1 1 A 68 68 SER CA C 68 61.200 61.059 0.141 1
1 809 . 2 1 1 A 68 68 SER CB C 68 62.700 62.780 -0.080 1
1 810 . 2 1 1 A 68 68 SER N N 68 111.500 113.070 -1.570 1
1 811 . 2 1 1 A 69 69 ARG H H 69 7.840 7.757 0.083 1
1 812 . 2 1 1 A 69 69 ARG HA H 69 4.010 3.995 0.015 1
1 819 . 2 1 1 A 69 69 ARG CA C 69 58.700 58.912 -0.212 1
1 820 . 2 1 1 A 69 69 ARG CB C 69 30.000 29.845 0.155 1
1 823 . 2 1 1 A 69 69 ARG N N 69 121.200 121.887 -0.687 1
1 824 . 2 1 1 A 70 70 LEU H H 70 8.490 8.495 -0.005 1
1 825 . 2 1 1 A 70 70 LEU HA H 70 3.740 3.871 -0.131 1
1 835 . 2 1 1 A 70 70 LEU CA C 70 57.500 57.855 -0.355 1
1 836 . 2 1 1 A 70 70 LEU CB C 70 41.100 41.536 -0.436 1
1 840 . 2 1 1 A 70 70 LEU N N 70 121.100 120.920 0.180 1
1 841 . 2 1 1 A 71 71 ARG H H 71 8.460 8.236 0.224 1
1 842 . 2 1 1 A 71 71 ARG HA H 71 3.540 3.890 -0.350 1
1 850 . 2 1 1 A 71 71 ARG CA C 71 60.700 59.788 0.912 1
1 851 . 2 1 1 A 71 71 ARG CB C 71 28.000 29.797 -1.797 1
1 854 . 2 1 1 A 71 71 ARG N N 71 119.800 118.665 1.135 1
1 856 . 2 1 1 A 72 72 GLY H H 72 7.530 8.196 -0.666 1
1 857 . 2 1 1 A 72 72 GLY HA2 H 72 3.980 3.812 0.168 1
1 858 . 2 1 1 A 72 72 GLY HA3 H 72 3.870 3.861 0.009 1
1 859 . 2 1 1 A 72 72 GLY CA C 72 47.100 47.338 -0.238 1
1 860 . 2 1 1 A 72 72 GLY N N 72 103.400 106.793 -3.393 1
1 861 . 2 1 1 A 73 73 ARG H H 73 7.800 7.461 0.339 1
1 862 . 2 1 1 A 73 73 ARG HA H 73 3.930 4.048 -0.118 1
1 869 . 2 1 1 A 73 73 ARG CA C 73 59.400 58.927 0.473 1
1 870 . 2 1 1 A 73 73 ARG CB C 73 29.500 29.555 -0.055 1
1 873 . 2 1 1 A 73 73 ARG N N 73 122.800 121.883 0.917 1
1 874 . 2 1 1 A 74 74 ILE H H 74 8.420 8.338 0.082 1
1 875 . 2 1 1 A 74 74 ILE HA H 74 3.440 3.827 -0.387 1
1 885 . 2 1 1 A 74 74 ILE CA C 74 66.500 65.661 0.839 1
1 886 . 2 1 1 A 74 74 ILE CB C 74 38.300 37.742 0.558 1
1 890 . 2 1 1 A 74 74 ILE N N 74 118.800 120.781 -1.981 1
1 891 . 2 1 1 A 75 75 GLU H H 75 8.620 8.849 -0.229 1
1 892 . 2 1 1 A 75 75 GLU HA H 75 3.840 4.001 -0.161 1
1 897 . 2 1 1 A 75 75 GLU CA C 75 59.900 59.962 -0.062 1
1 898 . 2 1 1 A 75 75 GLU CB C 75 29.400 29.651 -0.251 1
1 900 . 2 1 1 A 75 75 GLU N N 75 119.200 121.993 -2.793 1
1 901 . 2 1 1 A 76 76 SER H H 76 8.380 7.757 0.623 1
1 902 . 2 1 1 A 76 76 SER HA H 76 4.460 4.260 0.200 1
1 905 . 2 1 1 A 76 76 SER CA C 76 62.900 62.824 0.076 1
1 906 . 2 1 1 A 76 76 SER CB C 76 63.000 63.189 -0.189 1
1 907 . 2 1 1 A 76 76 SER N N 76 116.000 116.900 -0.900 1
1 908 . 2 1 1 A 77 77 VAL H H 77 8.190 7.950 0.240 1
1 909 . 2 1 1 A 77 77 VAL HA H 77 3.290 2.973 0.317 1
1 917 . 2 1 1 A 77 77 VAL CA C 77 66.800 66.643 0.157 1
1 918 . 2 1 1 A 77 77 VAL CB C 77 31.400 31.655 -0.255 1
1 921 . 2 1 1 A 77 77 VAL N N 77 122.800 121.784 1.016 1
1 922 . 2 1 1 A 78 78 LEU H H 78 8.590 8.545 0.045 1
1 923 . 2 1 1 A 78 78 LEU HA H 78 4.270 4.121 0.149 1
1 933 . 2 1 1 A 78 78 LEU CA C 78 57.800 58.040 -0.240 1
1 934 . 2 1 1 A 78 78 LEU CB C 78 40.900 40.940 -0.040 1
1 938 . 2 1 1 A 78 78 LEU N N 78 116.900 118.438 -1.538 1
1 939 . 2 1 1 A 79 79 ASP H H 79 8.790 8.593 0.197 1
1 940 . 2 1 1 A 79 79 ASP HA H 79 4.730 4.316 0.414 1
1 943 . 2 1 1 A 79 79 ASP CA C 79 57.900 57.323 0.577 1
1 944 . 2 1 1 A 79 79 ASP CB C 79 40.400 41.670 -1.270 1
1 945 . 2 1 1 A 79 79 ASP N N 79 123.800 119.137 4.663 1
1 946 . 2 1 1 A 80 80 TRP H H 80 8.210 8.146 0.064 1
1 947 . 2 1 1 A 80 80 TRP HA H 80 4.380 4.257 0.123 1
1 956 . 2 1 1 A 80 80 TRP CA C 80 61.600 61.261 0.339 1
1 957 . 2 1 1 A 80 80 TRP CB C 80 29.100 29.238 -0.138 1
1 963 . 2 1 1 A 80 80 TRP N N 80 123.700 121.587 2.113 1
1 965 . 2 1 1 A 81 81 ALA H H 81 8.980 8.369 0.611 1
1 966 . 2 1 1 A 81 81 ALA HA H 81 3.850 3.658 0.192 1
1 970 . 2 1 1 A 81 81 ALA CA C 81 54.500 55.109 -0.609 1
1 971 . 2 1 1 A 81 81 ALA CB C 81 19.600 18.108 1.492 1
1 972 . 2 1 1 A 81 81 ALA N N 81 118.400 121.255 -2.855 1
1 973 . 2 1 1 A 82 82 THR H H 82 7.990 7.982 0.008 1
1 974 . 2 1 1 A 82 82 THR HA H 82 4.310 3.941 0.369 1
1 979 . 2 1 1 A 82 82 THR CA C 82 65.800 66.636 -0.836 1
1 980 . 2 1 1 A 82 82 THR CB C 82 68.800 67.864 0.936 1
1 982 . 2 1 1 A 82 82 THR N N 82 116.400 114.886 1.514 1
1 983 . 2 1 1 A 83 83 VAL H H 83 7.970 7.907 0.063 1
1 984 . 2 1 1 A 83 83 VAL HA H 83 3.720 3.449 0.271 1
1 992 . 2 1 1 A 83 83 VAL CA C 83 65.900 66.849 -0.949 1
1 993 . 2 1 1 A 83 83 VAL CB C 83 31.400 31.309 0.091 1
1 996 . 2 1 1 A 83 83 VAL N N 83 123.700 121.407 2.293 1
1 997 . 2 1 1 A 84 84 ARG H H 84 7.300 7.436 -0.136 1
1 998 . 2 1 1 A 84 84 ARG HA H 84 3.740 3.748 -0.008 1
1 1005 . 2 1 1 A 84 84 ARG CA C 84 55.300 55.779 -0.479 1
1 1006 . 2 1 1 A 84 84 ARG CB C 84 29.400 29.301 0.099 1
1 1009 . 2 1 1 A 84 84 ARG N N 84 115.400 117.882 -2.482 1
1 1010 . 2 1 1 A 85 85 GLY H H 85 7.510 7.271 0.239 1
1 1011 . 2 1 1 A 85 85 GLY HA2 H 85 4.010 3.845 0.165 1
1 1012 . 2 1 1 A 85 85 GLY HA3 H 85 3.830 3.866 -0.036 1
1 1013 . 2 1 1 A 85 85 GLY CA C 85 45.400 45.508 -0.108 1
1 1014 . 2 1 1 A 85 85 GLY N N 85 105.600 107.259 -1.659 1
1 1015 . 2 1 1 A 86 86 TYR H H 86 8.120 8.234 -0.114 1
1 1016 . 2 1 1 A 86 86 TYR HA H 86 4.740 4.474 0.266 1
1 1023 . 2 1 1 A 86 86 TYR CA C 86 55.800 59.179 -3.379 1
1 1024 . 2 1 1 A 86 86 TYR CB C 86 38.000 38.769 -0.769 1
1 1027 . 2 1 1 A 86 86 TYR N N 86 118.700 118.908 -0.208 1
1 1028 . 2 1 1 A 87 87 ARG H H 87 7.500 7.751 -0.251 1
1 1029 . 2 1 1 A 87 87 ARG HA H 87 4.710 4.705 0.005 1
1 1037 . 2 1 1 A 87 87 ARG CA C 87 54.100 55.003 -0.903 1
1 1038 . 2 1 1 A 87 87 ARG CB C 87 31.900 33.255 -1.355 1
1 1041 . 2 1 1 A 87 87 ARG N N 87 111.200 117.098 -5.898 1
1 1043 . 2 1 1 A 88 88 GLU H H 88 9.190 8.635 0.555 1
1 1044 . 2 1 1 A 88 88 GLU HA H 88 4.760 4.911 -0.151 1
1 1049 . 2 1 1 A 88 88 GLU CA C 88 54.800 54.438 0.362 1
1 1050 . 2 1 1 A 88 88 GLU CB C 88 32.500 32.924 -0.424 1
1 1052 . 2 1 1 A 88 88 GLU N N 88 118.800 118.136 0.664 1
1 1053 . 2 1 1 A 89 89 GLY H H 89 8.580 8.317 0.263 1
1 1054 . 2 1 1 A 89 89 GLY HA2 H 89 3.850 3.997 -0.147 1
1 1055 . 2 1 1 A 89 89 GLY HA3 H 89 4.500 3.999 0.501 1
1 1056 . 2 1 1 A 89 89 GLY CA C 89 43.700 45.911 -2.211 1
1 1057 . 2 1 1 A 89 89 GLY N N 89 107.900 108.243 -0.343 1
1 1058 . 2 1 1 A 90 90 ASP H H 90 8.630 8.526 0.104 1
1 1059 . 2 1 1 A 90 90 ASP HA H 90 4.480 5.506 -1.026 1
1 1062 . 2 1 1 A 90 90 ASP CA C 90 54.600 52.491 2.109 1
1 1063 . 2 1 1 A 90 90 ASP CB C 90 40.500 44.677 -4.177 1
1 1064 . 2 1 1 A 90 90 ASP N N 90 120.700 123.673 -2.973 1
1 1065 . 2 1 1 A 91 91 ASN H H 91 8.930 8.651 0.279 1
1 1066 . 2 1 1 A 91 91 ASN HA H 91 4.580 5.125 -0.545 1
1 1071 . 2 1 1 A 91 91 ASN CA C 91 51.100 49.768 1.332 1
1 1072 . 2 1 1 A 91 91 ASN CB C 91 39.100 39.124 -0.024 1
1 1073 . 2 1 1 A 91 91 ASN N N 91 122.700 120.697 2.003 1
1 1075 . 2 1 1 A 92 92 PRO HA H 92 4.490 4.078 0.412 1
1 1082 . 2 1 1 A 92 92 PRO CA C 92 63.500 63.778 -0.278 1
1 1083 . 2 1 1 A 92 92 PRO CB C 92 32.300 31.454 0.846 1
1 1086 . 2 1 1 A 93 93 ALA H H 93 8.610 8.110 0.500 1
1 1087 . 2 1 1 A 93 93 ALA HA H 93 4.450 4.021 0.429 1
1 1091 . 2 1 1 A 93 93 ALA CA C 93 52.000 53.709 -1.709 1
1 1092 . 2 1 1 A 93 93 ALA CB C 93 18.100 19.037 -0.937 1
1 1093 . 2 1 1 A 93 93 ALA N N 93 120.500 121.521 -1.021 1
1 1094 . 2 1 1 A 94 94 ARG H H 94 7.280 7.413 -0.133 1
1 1095 . 2 1 1 A 94 94 ARG HA H 94 3.830 4.309 -0.479 1
1 1102 . 2 1 1 A 94 94 ARG CA C 94 55.500 58.813 -3.313 1
1 1103 . 2 1 1 A 94 94 ARG CB C 94 30.500 30.610 -0.110 1
1 1106 . 2 1 1 A 94 94 ARG N N 94 118.100 114.237 3.863 1
1 1107 . 2 1 1 A 95 95 TRP H H 95 7.310 7.726 -0.416 1
1 1108 . 2 1 1 A 95 95 TRP HA H 95 4.610 4.737 -0.127 1
1 1117 . 2 1 1 A 95 95 TRP CA C 95 55.200 58.154 -2.954 1
1 1118 . 2 1 1 A 95 95 TRP CB C 95 29.500 28.373 1.127 1
1 1124 . 2 1 1 A 95 95 TRP N N 95 121.200 117.104 4.096 1
1 1126 . 2 1 1 A 96 96 ARG H H 96 8.380 9.048 -0.668 1
1 1127 . 2 1 1 A 96 96 ARG HA H 96 4.140 4.296 -0.156 1
1 1134 . 2 1 1 A 96 96 ARG CA C 96 57.200 57.294 -0.094 1
1 1135 . 2 1 1 A 96 96 ARG CB C 96 29.900 31.962 -2.062 1
1 1138 . 2 1 1 A 96 96 ARG N N 96 122.100 124.481 -2.381 1
1 1139 . 2 1 1 A 97 97 GLY H H 97 7.920 7.644 0.276 1
1 1140 . 2 1 1 A 97 97 GLY HA2 H 97 3.710 4.164 -0.454 1
1 1141 . 2 1 1 A 97 97 GLY HA3 H 97 3.630 4.252 -0.622 1
1 1142 . 2 1 1 A 97 97 GLY CA C 97 45.700 45.228 0.472 1
1 1143 . 2 1 1 A 97 97 GLY N N 97 110.500 106.230 4.270 1
1 1144 . 2 1 1 A 98 98 TYR H H 98 7.770 8.892 -1.122 1
1 1145 . 2 1 1 A 98 98 TYR HA H 98 4.090 3.589 0.501 1
1 1152 . 2 1 1 A 98 98 TYR CA C 98 59.900 60.968 -1.068 1
1 1153 . 2 1 1 A 98 98 TYR CB C 98 37.100 39.364 -2.264 1
1 1156 . 2 1 1 A 98 98 TYR N N 98 120.400 125.849 -5.449 1
1 1157 . 2 1 1 A 99 99 LEU H H 99 7.820 7.897 -0.077 1
1 1158 . 2 1 1 A 99 99 LEU HA H 99 3.890 4.300 -0.410 1
1 1168 . 2 1 1 A 99 99 LEU CA C 99 55.600 55.860 -0.260 1
1 1169 . 2 1 1 A 99 99 LEU CB C 99 41.600 43.288 -1.688 1
1 1173 . 2 1 1 A 99 99 LEU N N 99 120.700 118.412 2.288 1
1 1174 . 2 1 1 A 100 100 GLU H H 100 7.680 7.753 -0.073 1
1 1175 . 2 1 1 A 100 100 GLU HA H 100 3.900 4.712 -0.812 1
1 1180 . 2 1 1 A 100 100 GLU CA C 100 56.500 55.722 0.778 1
1 1181 . 2 1 1 A 100 100 GLU CB C 100 29.500 33.266 -3.766 1
1 13 . 3 1 1 A 2 2 THR H H 2 9.230 9.005 0.225 1
1 14 . 3 1 1 A 2 2 THR HA H 2 5.080 4.845 0.235 1
1 19 . 3 1 1 A 2 2 THR CA C 2 61.000 60.367 0.633 1
1 20 . 3 1 1 A 2 2 THR CB C 2 70.800 71.869 -1.069 1
1 22 . 3 1 1 A 2 2 THR N N 2 119.100 117.050 2.050 1
1 23 . 3 1 1 A 3 3 PHE H H 3 9.290 9.757 -0.467 1
1 24 . 3 1 1 A 3 3 PHE HA H 3 3.880 4.113 -0.233 1
1 32 . 3 1 1 A 3 3 PHE CA C 3 63.900 62.276 1.624 1
1 33 . 3 1 1 A 3 3 PHE CB C 3 38.800 39.329 -0.529 1
1 37 . 3 1 1 A 3 3 PHE N N 3 122.600 123.618 -1.018 1
1 38 . 3 1 1 A 4 4 SER H H 4 9.930 8.268 1.662 1
1 39 . 3 1 1 A 4 4 SER HA H 4 4.000 4.174 -0.174 1
1 42 . 3 1 1 A 4 4 SER CA C 4 62.800 62.029 0.771 1
1 43 . 3 1 1 A 4 4 SER CB C 4 62.600 62.710 -0.110 1
1 44 . 3 1 1 A 4 4 SER N N 4 116.300 116.368 -0.068 1
1 45 . 3 1 1 A 5 5 GLU H H 5 7.980 7.421 0.559 1
1 46 . 3 1 1 A 5 5 GLU HA H 5 3.990 4.008 -0.018 1
1 51 . 3 1 1 A 5 5 GLU CA C 5 58.800 58.937 -0.137 1
1 52 . 3 1 1 A 5 5 GLU CB C 5 29.700 29.643 0.057 1
1 54 . 3 1 1 A 5 5 GLU N N 5 122.800 121.420 1.380 1
1 55 . 3 1 1 A 6 6 CYS H H 6 8.430 7.893 0.537 1
1 56 . 3 1 1 A 6 6 CYS HA H 6 4.120 4.132 -0.012 1
1 59 . 3 1 1 A 6 6 CYS CA C 6 63.300 61.816 1.484 1
1 60 . 3 1 1 A 6 6 CYS CB C 6 27.100 27.087 0.013 1
1 61 . 3 1 1 A 6 6 CYS N N 6 120.100 119.475 0.625 1
1 62 . 3 1 1 A 7 7 ALA H H 7 8.770 8.130 0.640 1
1 63 . 3 1 1 A 7 7 ALA HA H 7 3.790 3.873 -0.083 1
1 67 . 3 1 1 A 7 7 ALA CA C 7 55.200 54.883 0.317 1
1 68 . 3 1 1 A 7 7 ALA CB C 7 17.400 17.899 -0.499 1
1 69 . 3 1 1 A 7 7 ALA N N 7 120.400 122.145 -1.745 1
1 70 . 3 1 1 A 8 8 ALA H H 8 7.800 8.120 -0.320 1
1 71 . 3 1 1 A 8 8 ALA HA H 8 4.130 4.121 0.009 1
1 75 . 3 1 1 A 8 8 ALA CA C 8 55.200 55.043 0.157 1
1 76 . 3 1 1 A 8 8 ALA CB C 8 17.700 17.853 -0.153 1
1 77 . 3 1 1 A 8 8 ALA N N 8 119.200 120.475 -1.275 1
1 78 . 3 1 1 A 9 9 LEU H H 9 8.120 8.077 0.043 1
1 79 . 3 1 1 A 9 9 LEU HA H 9 4.080 3.922 0.158 1
1 89 . 3 1 1 A 9 9 LEU CA C 9 57.700 57.841 -0.141 1
1 90 . 3 1 1 A 9 9 LEU CB C 9 42.000 42.281 -0.281 1
1 94 . 3 1 1 A 9 9 LEU N N 9 120.300 118.917 1.383 1
1 95 . 3 1 1 A 10 10 TYR H H 10 8.700 8.060 0.640 1
1 96 . 3 1 1 A 10 10 TYR HA H 10 2.330 2.891 -0.561 1
1 103 . 3 1 1 A 10 10 TYR CA C 10 62.000 60.893 1.107 1
1 104 . 3 1 1 A 10 10 TYR CB C 10 38.100 37.986 0.114 1
1 107 . 3 1 1 A 10 10 TYR N N 10 122.900 118.236 4.664 1
1 108 . 3 1 1 A 11 11 ILE H H 11 8.600 8.461 0.139 1
1 109 . 3 1 1 A 11 11 ILE HA H 11 3.270 3.666 -0.396 1
1 119 . 3 1 1 A 11 11 ILE CA C 11 65.600 65.132 0.468 1
1 120 . 3 1 1 A 11 11 ILE CB C 11 38.200 37.699 0.501 1
1 124 . 3 1 1 A 11 11 ILE N N 11 123.900 121.217 2.683 1
1 125 . 3 1 1 A 12 12 LYS H H 12 7.910 8.468 -0.558 1
1 126 . 3 1 1 A 12 12 LYS HA H 12 3.870 4.020 -0.150 1
1 135 . 3 1 1 A 12 12 LYS CA C 12 59.900 59.395 0.505 1
1 136 . 3 1 1 A 12 12 LYS CB C 12 32.600 32.106 0.494 1
1 140 . 3 1 1 A 12 12 LYS N N 12 120.600 119.124 1.476 1
1 141 . 3 1 1 A 13 13 ALA H H 13 7.790 7.971 -0.181 1
1 142 . 3 1 1 A 13 13 ALA HA H 13 4.100 4.036 0.064 1
1 146 . 3 1 1 A 13 13 ALA CA C 13 53.200 54.319 -1.119 1
1 147 . 3 1 1 A 13 13 ALA CB C 13 18.200 18.252 -0.052 1
1 148 . 3 1 1 A 13 13 ALA N N 13 118.100 120.969 -2.869 1
1 149 . 3 1 1 A 14 14 HIS H H 14 7.160 7.099 0.061 1
1 150 . 3 1 1 A 14 14 HIS HA H 14 3.990 4.345 -0.355 1
1 155 . 3 1 1 A 14 14 HIS CA C 14 56.500 54.733 1.767 1
1 156 . 3 1 1 A 14 14 HIS CB C 14 27.000 29.261 -2.261 1
1 159 . 3 1 1 A 14 14 HIS N N 14 113.200 117.412 -4.212 1
1 160 . 3 1 1 A 15 15 ARG H H 15 7.420 7.500 -0.080 1
1 161 . 3 1 1 A 15 15 ARG HA H 15 3.760 3.884 -0.124 1
1 168 . 3 1 1 A 15 15 ARG CA C 15 59.800 58.446 1.354 1
1 169 . 3 1 1 A 15 15 ARG CB C 15 29.800 29.639 0.161 1
1 172 . 3 1 1 A 15 15 ARG N N 15 121.100 118.878 2.222 1
1 173 . 3 1 1 A 16 16 SER H H 16 8.540 7.781 0.759 1
1 174 . 3 1 1 A 16 16 SER HA H 16 4.230 4.113 0.117 1
1 177 . 3 1 1 A 16 16 SER CA C 16 60.800 61.227 -0.427 1
1 178 . 3 1 1 A 16 16 SER CB C 16 62.200 63.109 -0.909 1
1 179 . 3 1 1 A 16 16 SER N N 16 114.100 117.580 -3.480 1
1 180 . 3 1 1 A 17 17 SER H H 17 7.680 7.330 0.350 1
1 181 . 3 1 1 A 17 17 SER HA H 17 4.370 4.018 0.352 1
1 184 . 3 1 1 A 17 17 SER CA C 17 59.800 60.587 -0.787 1
1 185 . 3 1 1 A 17 17 SER CB C 17 63.100 62.276 0.824 1
1 186 . 3 1 1 A 17 17 SER N N 17 116.700 115.009 1.691 1
1 187 . 3 1 1 A 18 18 TRP H H 18 7.640 7.319 0.321 1
1 188 . 3 1 1 A 18 18 TRP HA H 18 4.990 4.877 0.113 1
1 197 . 3 1 1 A 18 18 TRP CA C 18 55.200 55.563 -0.363 1
1 198 . 3 1 1 A 18 18 TRP CB C 18 29.500 27.656 1.844 1
1 204 . 3 1 1 A 18 18 TRP N N 18 121.200 120.173 1.027 1
1 206 . 3 1 1 A 19 19 LYS H H 19 7.920 7.610 0.310 1
1 207 . 3 1 1 A 19 19 LYS HA H 19 4.180 5.146 -0.966 1
1 216 . 3 1 1 A 19 19 LYS CA C 19 58.100 54.729 3.371 1
1 217 . 3 1 1 A 19 19 LYS CB C 19 32.200 35.637 -3.437 1
1 221 . 3 1 1 A 19 19 LYS N N 19 121.100 122.118 -1.018 1
1 222 . 3 1 1 A 20 20 ASN H H 20 8.630 8.985 -0.355 1
1 223 . 3 1 1 A 20 20 ASN HA H 20 4.760 5.317 -0.557 1
1 228 . 3 1 1 A 20 20 ASN CA C 20 53.600 52.063 1.537 1
1 229 . 3 1 1 A 20 20 ASN CB C 20 38.200 39.413 -1.213 1
1 230 . 3 1 1 A 20 20 ASN N N 20 116.500 126.722 -10.222 1
1 232 . 3 1 1 A 21 21 THR H H 21 8.320 8.642 -0.322 1
1 233 . 3 1 1 A 21 21 THR HA H 21 4.470 5.182 -0.712 1
1 238 . 3 1 1 A 21 21 THR CA C 21 62.500 59.656 2.844 1
1 239 . 3 1 1 A 21 21 THR CB C 21 70.700 72.287 -1.587 1
1 241 . 3 1 1 A 21 21 THR N N 21 113.700 116.580 -2.880 1
1 242 . 3 1 1 A 22 22 LYS H H 22 8.440 8.767 -0.327 1
1 243 . 3 1 1 A 22 22 LYS HA H 22 4.500 4.616 -0.116 1
1 252 . 3 1 1 A 22 22 LYS CA C 22 56.700 56.232 0.468 1
1 253 . 3 1 1 A 22 22 LYS CB C 22 31.700 32.192 -0.492 1
1 257 . 3 1 1 A 22 22 LYS N N 22 120.900 120.053 0.847 1
1 258 . 3 1 1 A 23 23 HIS H H 23 8.110 7.859 0.251 1
1 259 . 3 1 1 A 23 23 HIS HA H 23 4.450 4.229 0.221 1
1 264 . 3 1 1 A 23 23 HIS CA C 23 57.300 59.755 -2.455 1
1 265 . 3 1 1 A 23 23 HIS CB C 23 27.900 29.083 -1.183 1
1 268 . 3 1 1 A 23 23 HIS N N 23 116.800 118.698 -1.898 1
1 269 . 3 1 1 A 24 24 ALA H H 24 8.490 8.352 0.138 1
1 270 . 3 1 1 A 24 24 ALA HA H 24 4.000 3.855 0.145 1
1 274 . 3 1 1 A 24 24 ALA CA C 24 55.700 55.240 0.460 1
1 275 . 3 1 1 A 24 24 ALA CB C 24 18.000 18.221 -0.221 1
1 276 . 3 1 1 A 24 24 ALA N N 24 121.700 122.293 -0.593 1
1 277 . 3 1 1 A 25 25 ASP H H 25 8.370 8.295 0.075 1
1 278 . 3 1 1 A 25 25 ASP HA H 25 4.450 4.348 0.102 1
1 281 . 3 1 1 A 25 25 ASP CA C 25 56.800 57.736 -0.936 1
1 282 . 3 1 1 A 25 25 ASP CB C 25 40.200 41.790 -1.590 1
1 283 . 3 1 1 A 25 25 ASP N N 25 119.100 118.669 0.431 1
1 284 . 3 1 1 A 26 26 GLN H H 26 8.020 8.206 -0.186 1
1 285 . 3 1 1 A 26 26 GLN HA H 26 4.250 4.046 0.204 1
1 292 . 3 1 1 A 26 26 GLN CA C 26 58.600 59.235 -0.635 1
1 293 . 3 1 1 A 26 26 GLN CB C 26 28.500 28.183 0.317 1
1 295 . 3 1 1 A 26 26 GLN N N 26 119.500 117.347 2.153 1
1 297 . 3 1 1 A 27 27 TRP H H 27 8.610 8.563 0.047 1
1 298 . 3 1 1 A 27 27 TRP HA H 27 3.840 4.435 -0.595 1
1 307 . 3 1 1 A 27 27 TRP CA C 27 62.400 59.594 2.806 1
1 308 . 3 1 1 A 27 27 TRP CB C 27 28.300 29.556 -1.256 1
1 314 . 3 1 1 A 27 27 TRP N N 27 122.000 121.167 0.833 1
1 316 . 3 1 1 A 28 28 THR H H 28 8.460 7.875 0.585 1
1 317 . 3 1 1 A 28 28 THR HA H 28 3.790 4.111 -0.321 1
1 322 . 3 1 1 A 28 28 THR CA C 28 67.000 67.029 -0.029 1
1 323 . 3 1 1 A 28 28 THR CB C 28 68.900 68.144 0.756 1
1 325 . 3 1 1 A 28 28 THR N N 28 114.800 114.737 0.063 1
1 326 . 3 1 1 A 29 29 ASN H H 29 8.650 9.022 -0.372 1
1 327 . 3 1 1 A 29 29 ASN HA H 29 4.530 4.395 0.135 1
1 332 . 3 1 1 A 29 29 ASN CA C 29 56.600 56.415 0.185 1
1 333 . 3 1 1 A 29 29 ASN CB C 29 38.400 39.105 -0.705 1
1 334 . 3 1 1 A 29 29 ASN N N 29 118.500 119.660 -1.160 1
1 336 . 3 1 1 A 30 30 THR H H 30 8.170 7.946 0.224 1
1 337 . 3 1 1 A 30 30 THR HA H 30 4.160 4.137 0.023 1
1 342 . 3 1 1 A 30 30 THR CA C 30 66.100 67.158 -1.058 1
1 343 . 3 1 1 A 30 30 THR CB C 30 69.300 68.429 0.871 1
1 345 . 3 1 1 A 30 30 THR N N 30 113.100 116.095 -2.995 1
1 346 . 3 1 1 A 31 31 ILE H H 31 8.030 7.631 0.399 1
1 347 . 3 1 1 A 31 31 ILE HA H 31 3.850 3.700 0.150 1
1 357 . 3 1 1 A 31 31 ILE CA C 31 65.200 65.636 -0.436 1
1 358 . 3 1 1 A 31 31 ILE CB C 31 36.300 37.828 -1.528 1
1 362 . 3 1 1 A 31 31 ILE N N 31 122.000 121.171 0.829 1
1 363 . 3 1 1 A 32 32 LYS H H 32 8.320 8.778 -0.458 1
1 364 . 3 1 1 A 32 32 LYS HA H 32 4.090 3.998 0.092 1
1 373 . 3 1 1 A 32 32 LYS CA C 32 60.500 59.570 0.930 1
1 374 . 3 1 1 A 32 32 LYS CB C 32 32.500 32.155 0.345 1
1 378 . 3 1 1 A 32 32 LYS N N 32 121.300 121.491 -0.191 1
1 379 . 3 1 1 A 33 33 THR H H 33 8.160 7.400 0.760 1
1 380 . 3 1 1 A 33 33 THR HA H 33 3.690 3.942 -0.252 1
1 385 . 3 1 1 A 33 33 THR CA C 33 66.500 66.277 0.223 1
1 386 . 3 1 1 A 33 33 THR CB C 33 69.200 69.083 0.117 1
1 388 . 3 1 1 A 33 33 THR N N 33 113.400 116.073 -2.673 1
1 389 . 3 1 1 A 34 34 TYR H H 34 7.640 8.083 -0.443 1
1 390 . 3 1 1 A 34 34 TYR HA H 34 4.670 4.383 0.287 1
1 397 . 3 1 1 A 34 34 TYR CA C 34 59.800 60.446 -0.646 1
1 398 . 3 1 1 A 34 34 TYR CB C 34 39.800 39.048 0.752 1
1 401 . 3 1 1 A 34 34 TYR N N 34 113.700 118.797 -5.097 1
1 402 . 3 1 1 A 35 35 CYS H H 35 8.170 8.337 -0.167 1
1 403 . 3 1 1 A 35 35 CYS HA H 35 4.470 4.305 0.165 1
1 406 . 3 1 1 A 35 35 CYS CA C 35 60.700 62.446 -1.746 1
1 407 . 3 1 1 A 35 35 CYS CB C 35 27.700 27.427 0.273 1
1 408 . 3 1 1 A 35 35 CYS N N 35 113.100 118.365 -5.265 1
1 409 . 3 1 1 A 36 36 GLY H H 36 8.110 8.481 -0.371 1
1 410 . 3 1 1 A 36 36 GLY HA2 H 36 3.880 3.791 0.089 1
1 411 . 3 1 1 A 36 36 GLY HA3 H 36 4.480 3.821 0.659 1
1 412 . 3 1 1 A 36 36 GLY CA C 36 49.400 48.260 1.140 1
1 413 . 3 1 1 A 36 36 GLY N N 36 110.800 109.907 0.893 1
1 414 . 3 1 1 A 37 37 PRO HA H 37 4.470 4.320 0.150 1
1 421 . 3 1 1 A 37 37 PRO CA C 37 64.400 65.148 -0.748 1
1 422 . 3 1 1 A 37 37 PRO CB C 37 32.700 31.368 1.332 1
1 425 . 3 1 1 A 38 38 VAL H H 38 7.270 7.688 -0.418 1
1 426 . 3 1 1 A 38 38 VAL HA H 38 4.190 4.155 0.035 1
1 434 . 3 1 1 A 38 38 VAL CA C 38 63.600 63.262 0.338 1
1 435 . 3 1 1 A 38 38 VAL CB C 38 34.800 32.662 2.138 1
1 438 . 3 1 1 A 38 38 VAL N N 38 113.900 115.504 -1.604 1
1 439 . 3 1 1 A 39 39 ILE H H 39 7.590 7.896 -0.306 1
1 440 . 3 1 1 A 39 39 ILE HA H 39 4.590 4.076 0.514 1
1 450 . 3 1 1 A 39 39 ILE CA C 39 60.500 62.136 -1.636 1
1 451 . 3 1 1 A 39 39 ILE CB C 39 39.500 37.701 1.799 1
1 455 . 3 1 1 A 39 39 ILE N N 39 107.400 115.871 -8.471 1
1 456 . 3 1 1 A 40 40 GLY H H 40 7.670 8.058 -0.388 1
1 457 . 3 1 1 A 40 40 GLY HA2 H 40 4.040 3.855 0.185 1
1 458 . 3 1 1 A 40 40 GLY HA3 H 40 4.430 3.981 0.449 1
1 459 . 3 1 1 A 40 40 GLY CA C 40 49.400 48.247 1.153 1
1 460 . 3 1 1 A 40 40 GLY N N 40 109.200 112.471 -3.271 1
1 461 . 3 1 1 A 41 41 PRO HA H 41 4.770 4.550 0.220 1
1 468 . 3 1 1 A 41 41 PRO CA C 41 63.200 63.922 -0.722 1
1 469 . 3 1 1 A 41 41 PRO CB C 41 31.800 31.956 -0.156 1
1 472 . 3 1 1 A 42 42 LEU H H 42 7.540 7.645 -0.105 1
1 473 . 3 1 1 A 42 42 LEU HA H 42 4.320 4.373 -0.053 1
1 483 . 3 1 1 A 42 42 LEU CA C 42 54.000 54.379 -0.379 1
1 484 . 3 1 1 A 42 42 LEU CB C 42 42.000 42.857 -0.857 1
1 488 . 3 1 1 A 42 42 LEU N N 42 119.600 120.393 -0.793 1
1 489 . 3 1 1 A 43 43 SER H H 43 8.880 8.598 0.282 1
1 490 . 3 1 1 A 43 43 SER HA H 43 4.510 4.653 -0.143 1
1 493 . 3 1 1 A 43 43 SER CA C 43 58.600 59.647 -1.047 1
1 494 . 3 1 1 A 43 43 SER CB C 43 63.000 63.646 -0.646 1
1 495 . 3 1 1 A 43 43 SER N N 43 116.100 117.967 -1.867 1
1 496 . 3 1 1 A 44 44 VAL H H 44 9.020 8.684 0.336 1
1 497 . 3 1 1 A 44 44 VAL HA H 44 3.920 4.119 -0.199 1
1 505 . 3 1 1 A 44 44 VAL CA C 44 65.900 64.678 1.222 1
1 506 . 3 1 1 A 44 44 VAL CB C 44 32.100 31.975 0.125 1
1 509 . 3 1 1 A 44 44 VAL N N 44 124.400 126.862 -2.462 1
1 510 . 3 1 1 A 45 45 GLN H H 45 8.700 8.107 0.593 1
1 511 . 3 1 1 A 45 45 GLN HA H 45 4.170 4.157 0.013 1
1 518 . 3 1 1 A 45 45 GLN CA C 45 57.400 58.439 -1.039 1
1 519 . 3 1 1 A 45 45 GLN CB C 45 29.000 28.596 0.404 1
1 521 . 3 1 1 A 45 45 GLN N N 45 120.500 121.287 -0.787 1
1 523 . 3 1 1 A 46 46 ASP H H 46 7.870 8.086 -0.216 1
1 524 . 3 1 1 A 46 46 ASP HA H 46 4.720 4.673 0.047 1
1 527 . 3 1 1 A 46 46 ASP CA C 46 54.400 56.142 -1.742 1
1 528 . 3 1 1 A 46 46 ASP CB C 46 40.800 41.413 -0.613 1
1 529 . 3 1 1 A 46 46 ASP N N 46 117.200 119.074 -1.874 1
1 530 . 3 1 1 A 47 47 VAL H H 47 6.970 7.343 -0.373 1
1 531 . 3 1 1 A 47 47 VAL HA H 47 3.490 3.894 -0.404 1
1 539 . 3 1 1 A 47 47 VAL CA C 47 65.200 63.107 2.093 1
1 540 . 3 1 1 A 47 47 VAL CB C 47 31.100 31.752 -0.652 1
1 543 . 3 1 1 A 47 47 VAL N N 47 118.500 120.040 -1.540 1
1 544 . 3 1 1 A 48 48 ASP H H 48 7.220 8.929 -1.709 1
1 545 . 3 1 1 A 48 48 ASP HA H 48 4.910 4.897 0.013 1
1 548 . 3 1 1 A 48 48 ASP CA C 48 51.600 52.523 -0.923 1
1 549 . 3 1 1 A 48 48 ASP CB C 48 42.700 43.012 -0.312 1
1 550 . 3 1 1 A 48 48 ASP N N 48 128.000 127.410 0.590 1
1 551 . 3 1 1 A 49 49 THR H H 49 8.490 8.802 -0.312 1
1 552 . 3 1 1 A 49 49 THR HA H 49 3.770 3.722 0.048 1
1 557 . 3 1 1 A 49 49 THR CA C 49 67.300 66.198 1.102 1
1 558 . 3 1 1 A 49 49 THR CB C 49 68.900 68.505 0.395 1
1 560 . 3 1 1 A 49 49 THR N N 49 115.800 115.784 0.016 1
1 561 . 3 1 1 A 50 50 LYS H H 50 7.860 8.212 -0.352 1
1 562 . 3 1 1 A 50 50 LYS HA H 50 3.860 4.077 -0.217 1
1 571 . 3 1 1 A 50 50 LYS CA C 50 60.000 59.750 0.250 1
1 572 . 3 1 1 A 50 50 LYS CB C 50 31.600 31.860 -0.260 1
1 576 . 3 1 1 A 50 50 LYS N N 50 120.500 121.033 -0.533 1
1 577 . 3 1 1 A 51 51 LEU H H 51 8.190 8.036 0.154 1
1 578 . 3 1 1 A 51 51 LEU HA H 51 4.050 4.039 0.011 1
1 588 . 3 1 1 A 51 51 LEU CA C 51 57.600 58.158 -0.558 1
1 589 . 3 1 1 A 51 51 LEU CB C 51 42.400 41.588 0.812 1
1 593 . 3 1 1 A 51 51 LEU N N 51 120.600 118.895 1.705 1
1 594 . 3 1 1 A 52 52 ILE H H 52 7.850 7.703 0.147 1
1 595 . 3 1 1 A 52 52 ILE HA H 52 3.440 3.602 -0.162 1
1 605 . 3 1 1 A 52 52 ILE CA C 52 65.200 64.676 0.524 1
1 606 . 3 1 1 A 52 52 ILE CB C 52 36.700 36.737 -0.037 1
1 610 . 3 1 1 A 52 52 ILE N N 52 118.600 120.244 -1.644 1
1 611 . 3 1 1 A 53 53 MET H H 53 8.540 8.312 0.228 1
1 612 . 3 1 1 A 53 53 MET HA H 53 4.040 4.157 -0.117 1
1 620 . 3 1 1 A 53 53 MET CA C 53 59.000 59.462 -0.462 1
1 621 . 3 1 1 A 53 53 MET CB C 53 31.300 32.820 -1.520 1
1 624 . 3 1 1 A 53 53 MET N N 53 118.600 119.206 -0.606 1
1 625 . 3 1 1 A 54 54 LYS H H 54 7.620 7.591 0.029 1
1 626 . 3 1 1 A 54 54 LYS HA H 54 4.140 4.143 -0.003 1
1 635 . 3 1 1 A 54 54 LYS CA C 54 59.200 58.918 0.282 1
1 636 . 3 1 1 A 54 54 LYS CB C 54 32.300 32.561 -0.261 1
1 640 . 3 1 1 A 54 54 LYS N N 54 119.100 118.611 0.489 1
1 641 . 3 1 1 A 55 55 VAL H H 55 7.560 7.319 0.241 1
1 642 . 3 1 1 A 55 55 VAL HA H 55 3.670 3.645 0.025 1
1 650 . 3 1 1 A 55 55 VAL CA C 55 65.600 66.133 -0.533 1
1 651 . 3 1 1 A 55 55 VAL CB C 55 31.900 31.664 0.236 1
1 654 . 3 1 1 A 55 55 VAL N N 55 117.200 119.849 -2.649 1
1 655 . 3 1 1 A 56 56 LEU H H 56 7.790 8.150 -0.360 1
1 656 . 3 1 1 A 56 56 LEU HA H 56 3.900 3.840 0.060 1
1 666 . 3 1 1 A 56 56 LEU CA C 56 56.400 56.837 -0.437 1
1 667 . 3 1 1 A 56 56 LEU CB C 56 42.700 41.882 0.818 1
1 671 . 3 1 1 A 56 56 LEU N N 56 114.400 119.383 -4.983 1
1 672 . 3 1 1 A 57 57 ASP H H 57 8.850 8.017 0.833 1
1 673 . 3 1 1 A 57 57 ASP HA H 57 4.140 4.719 -0.579 1
1 676 . 3 1 1 A 57 57 ASP CA C 57 59.100 59.445 -0.345 1
1 677 . 3 1 1 A 57 57 ASP CB C 57 38.200 38.362 -0.162 1
1 678 . 3 1 1 A 57 57 ASP N N 57 120.500 121.532 -1.032 1
1 679 . 3 1 1 A 58 58 PRO HA H 58 4.520 4.458 0.062 1
1 686 . 3 1 1 A 58 58 PRO CA C 58 65.300 64.993 0.307 1
1 687 . 3 1 1 A 58 58 PRO CB C 58 31.700 31.382 0.318 1
1 690 . 3 1 1 A 59 59 ILE H H 59 7.400 7.744 -0.344 1
1 691 . 3 1 1 A 59 59 ILE HA H 59 4.060 3.859 0.201 1
1 701 . 3 1 1 A 59 59 ILE CA C 59 62.300 63.640 -1.340 1
1 702 . 3 1 1 A 59 59 ILE CB C 59 39.300 37.283 2.017 1
1 706 . 3 1 1 A 59 59 ILE N N 59 113.300 116.123 -2.823 1
1 707 . 3 1 1 A 60 60 TRP H H 60 8.000 8.017 -0.017 1
1 708 . 3 1 1 A 60 60 TRP HA H 60 3.830 4.413 -0.583 1
1 717 . 3 1 1 A 60 60 TRP CA C 60 61.300 59.803 1.497 1
1 718 . 3 1 1 A 60 60 TRP CB C 60 29.700 29.545 0.155 1
1 724 . 3 1 1 A 60 60 TRP N N 60 120.900 121.025 -0.125 1
1 726 . 3 1 1 A 61 61 GLU H H 61 7.840 8.583 -0.743 1
1 727 . 3 1 1 A 61 61 GLU HA H 61 4.110 4.150 -0.040 1
1 732 . 3 1 1 A 61 61 GLU CA C 61 58.100 59.939 -1.839 1
1 733 . 3 1 1 A 61 61 GLU CB C 61 29.500 29.312 0.188 1
1 735 . 3 1 1 A 61 61 GLU N N 61 112.300 120.170 -7.870 1
1 736 . 3 1 1 A 62 62 GLN H H 62 7.710 7.606 0.104 1
1 737 . 3 1 1 A 62 62 GLN HA H 62 4.400 4.439 -0.039 1
1 744 . 3 1 1 A 62 62 GLN CA C 62 57.200 57.437 -0.237 1
1 745 . 3 1 1 A 62 62 GLN CB C 62 30.800 30.177 0.623 1
1 747 . 3 1 1 A 62 62 GLN N N 62 115.200 117.122 -1.922 1
1 749 . 3 1 1 A 63 63 LYS H H 63 8.500 8.068 0.432 1
1 750 . 3 1 1 A 63 63 LYS HA H 63 4.860 4.765 0.095 1
1 759 . 3 1 1 A 63 63 LYS CA C 63 53.300 53.643 -0.343 1
1 760 . 3 1 1 A 63 63 LYS CB C 63 33.800 32.948 0.852 1
1 764 . 3 1 1 A 63 63 LYS N N 63 117.800 119.087 -1.287 1
1 765 . 3 1 1 A 64 64 PRO HA H 64 4.110 4.381 -0.271 1
1 772 . 3 1 1 A 64 64 PRO CA C 64 66.000 65.417 0.583 1
1 773 . 3 1 1 A 64 64 PRO CB C 64 31.500 32.014 -0.514 1
1 776 . 3 1 1 A 65 65 GLU H H 65 8.680 8.348 0.332 1
1 777 . 3 1 1 A 65 65 GLU HA H 65 4.120 4.083 0.037 1
1 782 . 3 1 1 A 65 65 GLU CA C 65 59.300 59.502 -0.202 1
1 783 . 3 1 1 A 65 65 GLU CB C 65 28.500 29.063 -0.563 1
1 785 . 3 1 1 A 65 65 GLU N N 65 117.800 118.187 -0.387 1
1 786 . 3 1 1 A 66 66 THR H H 66 7.370 7.958 -0.588 1
1 787 . 3 1 1 A 66 66 THR HA H 66 3.820 3.736 0.084 1
1 792 . 3 1 1 A 66 66 THR CA C 66 66.200 66.282 -0.082 1
1 793 . 3 1 1 A 66 66 THR CB C 66 68.200 68.382 -0.182 1
1 795 . 3 1 1 A 66 66 THR N N 66 117.800 117.654 0.146 1
1 796 . 3 1 1 A 67 67 ALA H H 67 7.890 8.026 -0.136 1
1 797 . 3 1 1 A 67 67 ALA HA H 67 3.380 3.627 -0.247 1
1 801 . 3 1 1 A 67 67 ALA CA C 67 55.200 55.006 0.194 1
1 802 . 3 1 1 A 67 67 ALA CB C 67 17.400 17.230 0.170 1
1 803 . 3 1 1 A 67 67 ALA N N 67 123.900 124.050 -0.150 1
1 804 . 3 1 1 A 68 68 SER H H 68 7.920 8.059 -0.139 1
1 805 . 3 1 1 A 68 68 SER HA H 68 4.070 4.244 -0.174 1
1 808 . 3 1 1 A 68 68 SER CA C 68 61.200 60.150 1.050 1
1 809 . 3 1 1 A 68 68 SER CB C 68 62.700 62.947 -0.247 1
1 810 . 3 1 1 A 68 68 SER N N 68 111.500 114.124 -2.624 1
1 811 . 3 1 1 A 69 69 ARG H H 69 7.840 7.916 -0.076 1
1 812 . 3 1 1 A 69 69 ARG HA H 69 4.010 3.997 0.013 1
1 819 . 3 1 1 A 69 69 ARG CA C 69 58.700 58.660 0.040 1
1 820 . 3 1 1 A 69 69 ARG CB C 69 30.000 29.414 0.586 1
1 823 . 3 1 1 A 69 69 ARG N N 69 121.200 121.921 -0.721 1
1 824 . 3 1 1 A 70 70 LEU H H 70 8.490 8.193 0.297 1
1 825 . 3 1 1 A 70 70 LEU HA H 70 3.740 3.918 -0.178 1
1 835 . 3 1 1 A 70 70 LEU CA C 70 57.500 57.704 -0.204 1
1 836 . 3 1 1 A 70 70 LEU CB C 70 41.100 41.218 -0.118 1
1 840 . 3 1 1 A 70 70 LEU N N 70 121.100 121.879 -0.779 1
1 841 . 3 1 1 A 71 71 ARG H H 71 8.460 8.124 0.336 1
1 842 . 3 1 1 A 71 71 ARG HA H 71 3.540 4.051 -0.511 1
1 850 . 3 1 1 A 71 71 ARG CA C 71 60.700 59.309 1.391 1
1 851 . 3 1 1 A 71 71 ARG CB C 71 28.000 29.913 -1.913 1
1 854 . 3 1 1 A 71 71 ARG N N 71 119.800 118.824 0.976 1
1 856 . 3 1 1 A 72 72 GLY H H 72 7.530 8.481 -0.951 1
1 857 . 3 1 1 A 72 72 GLY HA2 H 72 3.980 3.795 0.185 1
1 858 . 3 1 1 A 72 72 GLY HA3 H 72 3.870 3.826 0.044 1
1 859 . 3 1 1 A 72 72 GLY CA C 72 47.100 47.307 -0.207 1
1 860 . 3 1 1 A 72 72 GLY N N 72 103.400 108.116 -4.716 1
1 861 . 3 1 1 A 73 73 ARG H H 73 7.800 7.412 0.388 1
1 862 . 3 1 1 A 73 73 ARG HA H 73 3.930 3.859 0.071 1
1 869 . 3 1 1 A 73 73 ARG CA C 73 59.400 58.784 0.616 1
1 870 . 3 1 1 A 73 73 ARG CB C 73 29.500 29.351 0.149 1
1 873 . 3 1 1 A 73 73 ARG N N 73 122.800 121.805 0.995 1
1 874 . 3 1 1 A 74 74 ILE H H 74 8.420 8.284 0.136 1
1 875 . 3 1 1 A 74 74 ILE HA H 74 3.440 3.846 -0.406 1
1 885 . 3 1 1 A 74 74 ILE CA C 74 66.500 65.577 0.923 1
1 886 . 3 1 1 A 74 74 ILE CB C 74 38.300 37.446 0.854 1
1 890 . 3 1 1 A 74 74 ILE N N 74 118.800 121.023 -2.223 1
1 891 . 3 1 1 A 75 75 GLU H H 75 8.620 8.889 -0.269 1
1 892 . 3 1 1 A 75 75 GLU HA H 75 3.840 4.010 -0.170 1
1 897 . 3 1 1 A 75 75 GLU CA C 75 59.900 59.783 0.117 1
1 898 . 3 1 1 A 75 75 GLU CB C 75 29.400 29.599 -0.199 1
1 900 . 3 1 1 A 75 75 GLU N N 75 119.200 122.039 -2.839 1
1 901 . 3 1 1 A 76 76 SER H H 76 8.380 7.708 0.672 1
1 902 . 3 1 1 A 76 76 SER HA H 76 4.460 4.180 0.280 1
1 905 . 3 1 1 A 76 76 SER CA C 76 62.900 62.480 0.420 1
1 906 . 3 1 1 A 76 76 SER CB C 76 63.000 63.129 -0.129 1
1 907 . 3 1 1 A 76 76 SER N N 76 116.000 117.178 -1.178 1
1 908 . 3 1 1 A 77 77 VAL H H 77 8.190 7.823 0.367 1
1 909 . 3 1 1 A 77 77 VAL HA H 77 3.290 3.431 -0.141 1
1 917 . 3 1 1 A 77 77 VAL CA C 77 66.800 66.751 0.049 1
1 918 . 3 1 1 A 77 77 VAL CB C 77 31.400 31.485 -0.085 1
1 921 . 3 1 1 A 77 77 VAL N N 77 122.800 122.299 0.501 1
1 922 . 3 1 1 A 78 78 LEU H H 78 8.590 8.633 -0.043 1
1 923 . 3 1 1 A 78 78 LEU HA H 78 4.270 4.074 0.196 1
1 933 . 3 1 1 A 78 78 LEU CA C 78 57.800 58.249 -0.449 1
1 934 . 3 1 1 A 78 78 LEU CB C 78 40.900 40.522 0.378 1
1 938 . 3 1 1 A 78 78 LEU N N 78 116.900 118.367 -1.467 1
1 939 . 3 1 1 A 79 79 ASP H H 79 8.790 8.238 0.552 1
1 940 . 3 1 1 A 79 79 ASP HA H 79 4.730 4.361 0.369 1
1 943 . 3 1 1 A 79 79 ASP CA C 79 57.900 57.255 0.645 1
1 944 . 3 1 1 A 79 79 ASP CB C 79 40.400 41.040 -0.640 1
1 945 . 3 1 1 A 79 79 ASP N N 79 123.800 119.275 4.525 1
1 946 . 3 1 1 A 80 80 TRP H H 80 8.210 8.492 -0.282 1
1 947 . 3 1 1 A 80 80 TRP HA H 80 4.380 4.314 0.066 1
1 956 . 3 1 1 A 80 80 TRP CA C 80 61.600 61.451 0.149 1
1 957 . 3 1 1 A 80 80 TRP CB C 80 29.100 29.428 -0.328 1
1 963 . 3 1 1 A 80 80 TRP N N 80 123.700 121.928 1.772 1
1 965 . 3 1 1 A 81 81 ALA H H 81 8.980 8.583 0.397 1
1 966 . 3 1 1 A 81 81 ALA HA H 81 3.850 4.108 -0.258 1
1 970 . 3 1 1 A 81 81 ALA CA C 81 54.500 55.341 -0.841 1
1 971 . 3 1 1 A 81 81 ALA CB C 81 19.600 18.177 1.423 1
1 972 . 3 1 1 A 81 81 ALA N N 81 118.400 121.362 -2.962 1
1 973 . 3 1 1 A 82 82 THR H H 82 7.990 7.740 0.250 1
1 974 . 3 1 1 A 82 82 THR HA H 82 4.310 3.991 0.319 1
1 979 . 3 1 1 A 82 82 THR CA C 82 65.800 66.805 -1.005 1
1 980 . 3 1 1 A 82 82 THR CB C 82 68.800 68.049 0.751 1
1 982 . 3 1 1 A 82 82 THR N N 82 116.400 114.910 1.490 1
1 983 . 3 1 1 A 83 83 VAL H H 83 7.970 8.340 -0.370 1
1 984 . 3 1 1 A 83 83 VAL HA H 83 3.720 3.476 0.244 1
1 992 . 3 1 1 A 83 83 VAL CA C 83 65.900 66.770 -0.870 1
1 993 . 3 1 1 A 83 83 VAL CB C 83 31.400 31.341 0.059 1
1 996 . 3 1 1 A 83 83 VAL N N 83 123.700 121.378 2.322 1
1 997 . 3 1 1 A 84 84 ARG H H 84 7.300 7.754 -0.454 1
1 998 . 3 1 1 A 84 84 ARG HA H 84 3.740 3.871 -0.131 1
1 1005 . 3 1 1 A 84 84 ARG CA C 84 55.300 55.934 -0.634 1
1 1006 . 3 1 1 A 84 84 ARG CB C 84 29.400 29.997 -0.597 1
1 1009 . 3 1 1 A 84 84 ARG N N 84 115.400 118.005 -2.605 1
1 1010 . 3 1 1 A 85 85 GLY H H 85 7.510 7.563 -0.053 1
1 1011 . 3 1 1 A 85 85 GLY HA2 H 85 4.010 3.793 0.217 1
1 1012 . 3 1 1 A 85 85 GLY HA3 H 85 3.830 3.873 -0.043 1
1 1013 . 3 1 1 A 85 85 GLY CA C 85 45.400 45.593 -0.193 1
1 1014 . 3 1 1 A 85 85 GLY N N 85 105.600 107.423 -1.823 1
1 1015 . 3 1 1 A 86 86 TYR H H 86 8.120 8.441 -0.321 1
1 1016 . 3 1 1 A 86 86 TYR HA H 86 4.740 4.546 0.194 1
1 1023 . 3 1 1 A 86 86 TYR CA C 86 55.800 58.728 -2.928 1
1 1024 . 3 1 1 A 86 86 TYR CB C 86 38.000 39.074 -1.074 1
1 1027 . 3 1 1 A 86 86 TYR N N 86 118.700 118.272 0.428 1
1 1028 . 3 1 1 A 87 87 ARG H H 87 7.500 7.755 -0.255 1
1 1029 . 3 1 1 A 87 87 ARG HA H 87 4.710 4.598 0.112 1
1 1037 . 3 1 1 A 87 87 ARG CA C 87 54.100 54.791 -0.691 1
1 1038 . 3 1 1 A 87 87 ARG CB C 87 31.900 31.959 -0.059 1
1 1041 . 3 1 1 A 87 87 ARG N N 87 111.200 117.015 -5.815 1
1 1043 . 3 1 1 A 88 88 GLU H H 88 9.190 8.516 0.674 1
1 1044 . 3 1 1 A 88 88 GLU HA H 88 4.760 4.927 -0.167 1
1 1049 . 3 1 1 A 88 88 GLU CA C 88 54.800 54.586 0.214 1
1 1050 . 3 1 1 A 88 88 GLU CB C 88 32.500 31.697 0.803 1
1 1052 . 3 1 1 A 88 88 GLU N N 88 118.800 120.250 -1.450 1
1 1053 . 3 1 1 A 89 89 GLY H H 89 8.580 8.576 0.004 1
1 1054 . 3 1 1 A 89 89 GLY HA2 H 89 3.850 4.021 -0.171 1
1 1055 . 3 1 1 A 89 89 GLY HA3 H 89 4.500 4.025 0.475 1
1 1056 . 3 1 1 A 89 89 GLY CA C 89 43.700 45.484 -1.784 1
1 1057 . 3 1 1 A 89 89 GLY N N 89 107.900 108.969 -1.069 1
1 1058 . 3 1 1 A 90 90 ASP H H 90 8.630 8.860 -0.230 1
1 1059 . 3 1 1 A 90 90 ASP HA H 90 4.480 5.223 -0.743 1
1 1062 . 3 1 1 A 90 90 ASP CA C 90 54.600 53.990 0.610 1
1 1063 . 3 1 1 A 90 90 ASP CB C 90 40.500 44.490 -3.990 1
1 1064 . 3 1 1 A 90 90 ASP N N 90 120.700 123.482 -2.782 1
1 1065 . 3 1 1 A 91 91 ASN H H 91 8.930 8.913 0.017 1
1 1066 . 3 1 1 A 91 91 ASN HA H 91 4.580 5.360 -0.780 1
1 1071 . 3 1 1 A 91 91 ASN CA C 91 51.100 49.804 1.296 1
1 1072 . 3 1 1 A 91 91 ASN CB C 91 39.100 40.023 -0.923 1
1 1073 . 3 1 1 A 91 91 ASN N N 91 122.700 122.800 -0.100 1
1 1075 . 3 1 1 A 92 92 PRO HA H 92 4.490 4.349 0.141 1
1 1082 . 3 1 1 A 92 92 PRO CA C 92 63.500 63.906 -0.406 1
1 1083 . 3 1 1 A 92 92 PRO CB C 92 32.300 31.855 0.445 1
1 1086 . 3 1 1 A 93 93 ALA H H 93 8.610 7.833 0.777 1
1 1087 . 3 1 1 A 93 93 ALA HA H 93 4.450 4.214 0.236 1
1 1091 . 3 1 1 A 93 93 ALA CA C 93 52.000 52.446 -0.446 1
1 1092 . 3 1 1 A 93 93 ALA CB C 93 18.100 19.423 -1.323 1
1 1093 . 3 1 1 A 93 93 ALA N N 93 120.500 119.153 1.347 1
1 1094 . 3 1 1 A 94 94 ARG H H 94 7.280 7.074 0.206 1
1 1095 . 3 1 1 A 94 94 ARG HA H 94 3.830 4.518 -0.688 1
1 1102 . 3 1 1 A 94 94 ARG CA C 94 55.500 55.727 -0.227 1
1 1103 . 3 1 1 A 94 94 ARG CB C 94 30.500 31.586 -1.086 1
1 1106 . 3 1 1 A 94 94 ARG N N 94 118.100 117.211 0.889 1
1 1107 . 3 1 1 A 95 95 TRP H H 95 7.310 8.810 -1.500 1
1 1108 . 3 1 1 A 95 95 TRP HA H 95 4.610 5.008 -0.398 1
1 1117 . 3 1 1 A 95 95 TRP CA C 95 55.200 56.572 -1.372 1
1 1118 . 3 1 1 A 95 95 TRP CB C 95 29.500 33.031 -3.531 1
1 1124 . 3 1 1 A 95 95 TRP N N 95 121.200 121.100 0.100 1
1 1126 . 3 1 1 A 96 96 ARG H H 96 8.380 9.121 -0.741 1
1 1127 . 3 1 1 A 96 96 ARG HA H 96 4.140 4.687 -0.547 1
1 1134 . 3 1 1 A 96 96 ARG CA C 96 57.200 56.224 0.976 1
1 1135 . 3 1 1 A 96 96 ARG CB C 96 29.900 32.077 -2.177 1
1 1138 . 3 1 1 A 96 96 ARG N N 96 122.100 123.673 -1.573 1
1 1139 . 3 1 1 A 97 97 GLY H H 97 7.920 7.838 0.082 1
1 1140 . 3 1 1 A 97 97 GLY HA2 H 97 3.710 4.168 -0.458 1
1 1141 . 3 1 1 A 97 97 GLY HA3 H 97 3.630 4.204 -0.574 1
1 1142 . 3 1 1 A 97 97 GLY CA C 97 45.700 44.966 0.734 1
1 1143 . 3 1 1 A 97 97 GLY N N 97 110.500 104.501 5.999 1
1 1144 . 3 1 1 A 98 98 TYR H H 98 7.770 8.491 -0.721 1
1 1145 . 3 1 1 A 98 98 TYR HA H 98 4.090 4.726 -0.636 1
1 1152 . 3 1 1 A 98 98 TYR CA C 98 59.900 58.892 1.008 1
1 1153 . 3 1 1 A 98 98 TYR CB C 98 37.100 40.467 -3.367 1
1 1156 . 3 1 1 A 98 98 TYR N N 98 120.400 125.266 -4.866 1
1 1157 . 3 1 1 A 99 99 LEU H H 99 7.820 7.939 -0.119 1
1 1158 . 3 1 1 A 99 99 LEU HA H 99 3.890 4.013 -0.123 1
1 1168 . 3 1 1 A 99 99 LEU CA C 99 55.600 56.155 -0.555 1
1 1169 . 3 1 1 A 99 99 LEU CB C 99 41.600 42.170 -0.570 1
1 1173 . 3 1 1 A 99 99 LEU N N 99 120.700 119.080 1.620 1
1 1174 . 3 1 1 A 100 100 GLU H H 100 7.680 7.967 -0.287 1
1 1175 . 3 1 1 A 100 100 GLU HA H 100 3.900 4.212 -0.312 1
1 1180 . 3 1 1 A 100 100 GLU CA C 100 56.500 57.365 -0.865 1
1 1181 . 3 1 1 A 100 100 GLU CB C 100 29.500 29.403 0.097 1
1 13 . 4 1 1 A 2 2 THR H H 2 9.230 8.398 0.832 1
1 14 . 4 1 1 A 2 2 THR HA H 2 5.080 5.088 -0.008 1
1 19 . 4 1 1 A 2 2 THR CA C 2 61.000 60.690 0.310 1
1 20 . 4 1 1 A 2 2 THR CB C 2 70.800 71.431 -0.631 1
1 22 . 4 1 1 A 2 2 THR N N 2 119.100 116.225 2.875 1
1 23 . 4 1 1 A 3 3 PHE H H 3 9.290 9.380 -0.090 1
1 24 . 4 1 1 A 3 3 PHE HA H 3 3.880 4.109 -0.229 1
1 32 . 4 1 1 A 3 3 PHE CA C 3 63.900 62.353 1.547 1
1 33 . 4 1 1 A 3 3 PHE CB C 3 38.800 39.353 -0.553 1
1 37 . 4 1 1 A 3 3 PHE N N 3 122.600 123.644 -1.044 1
1 38 . 4 1 1 A 4 4 SER H H 4 9.930 8.123 1.807 1
1 39 . 4 1 1 A 4 4 SER HA H 4 4.000 4.202 -0.202 1
1 42 . 4 1 1 A 4 4 SER CA C 4 62.800 61.827 0.973 1
1 43 . 4 1 1 A 4 4 SER CB C 4 62.600 62.715 -0.115 1
1 44 . 4 1 1 A 4 4 SER N N 4 116.300 116.159 0.141 1
1 45 . 4 1 1 A 5 5 GLU H H 5 7.980 7.501 0.479 1
1 46 . 4 1 1 A 5 5 GLU HA H 5 3.990 4.010 -0.020 1
1 51 . 4 1 1 A 5 5 GLU CA C 5 58.800 58.920 -0.120 1
1 52 . 4 1 1 A 5 5 GLU CB C 5 29.700 29.773 -0.073 1
1 54 . 4 1 1 A 5 5 GLU N N 5 122.800 121.375 1.425 1
1 55 . 4 1 1 A 6 6 CYS H H 6 8.430 7.934 0.496 1
1 56 . 4 1 1 A 6 6 CYS HA H 6 4.120 4.034 0.086 1
1 59 . 4 1 1 A 6 6 CYS CA C 6 63.300 61.828 1.472 1
1 60 . 4 1 1 A 6 6 CYS CB C 6 27.100 27.117 -0.017 1
1 61 . 4 1 1 A 6 6 CYS N N 6 120.100 119.454 0.646 1
1 62 . 4 1 1 A 7 7 ALA H H 7 8.770 8.019 0.751 1
1 63 . 4 1 1 A 7 7 ALA HA H 7 3.790 3.911 -0.121 1
1 67 . 4 1 1 A 7 7 ALA CA C 7 55.200 54.887 0.313 1
1 68 . 4 1 1 A 7 7 ALA CB C 7 17.400 17.918 -0.518 1
1 69 . 4 1 1 A 7 7 ALA N N 7 120.400 122.419 -2.019 1
1 70 . 4 1 1 A 8 8 ALA H H 8 7.800 8.135 -0.335 1
1 71 . 4 1 1 A 8 8 ALA HA H 8 4.130 4.160 -0.030 1
1 75 . 4 1 1 A 8 8 ALA CA C 8 55.200 55.063 0.137 1
1 76 . 4 1 1 A 8 8 ALA CB C 8 17.700 18.040 -0.340 1
1 77 . 4 1 1 A 8 8 ALA N N 8 119.200 120.935 -1.735 1
1 78 . 4 1 1 A 9 9 LEU H H 9 8.120 8.227 -0.107 1
1 79 . 4 1 1 A 9 9 LEU HA H 9 4.080 3.982 0.098 1
1 89 . 4 1 1 A 9 9 LEU CA C 9 57.700 57.858 -0.158 1
1 90 . 4 1 1 A 9 9 LEU CB C 9 42.000 42.168 -0.168 1
1 94 . 4 1 1 A 9 9 LEU N N 9 120.300 119.001 1.299 1
1 95 . 4 1 1 A 10 10 TYR H H 10 8.700 8.223 0.477 1
1 96 . 4 1 1 A 10 10 TYR HA H 10 2.330 3.116 -0.786 1
1 103 . 4 1 1 A 10 10 TYR CA C 10 62.000 61.128 0.872 1
1 104 . 4 1 1 A 10 10 TYR CB C 10 38.100 38.130 -0.030 1
1 107 . 4 1 1 A 10 10 TYR N N 10 122.900 118.572 4.328 1
1 108 . 4 1 1 A 11 11 ILE H H 11 8.600 8.306 0.294 1
1 109 . 4 1 1 A 11 11 ILE HA H 11 3.270 3.589 -0.319 1
1 119 . 4 1 1 A 11 11 ILE CA C 11 65.600 65.218 0.382 1
1 120 . 4 1 1 A 11 11 ILE CB C 11 38.200 37.921 0.279 1
1 124 . 4 1 1 A 11 11 ILE N N 11 123.900 121.172 2.728 1
1 125 . 4 1 1 A 12 12 LYS H H 12 7.910 8.169 -0.259 1
1 126 . 4 1 1 A 12 12 LYS HA H 12 3.870 4.027 -0.157 1
1 135 . 4 1 1 A 12 12 LYS CA C 12 59.900 59.328 0.572 1
1 136 . 4 1 1 A 12 12 LYS CB C 12 32.600 32.162 0.438 1
1 140 . 4 1 1 A 12 12 LYS N N 12 120.600 119.722 0.878 1
1 141 . 4 1 1 A 13 13 ALA H H 13 7.790 8.253 -0.463 1
1 142 . 4 1 1 A 13 13 ALA HA H 13 4.100 4.019 0.081 1
1 146 . 4 1 1 A 13 13 ALA CA C 13 53.200 54.606 -1.406 1
1 147 . 4 1 1 A 13 13 ALA CB C 13 18.200 18.223 -0.023 1
1 148 . 4 1 1 A 13 13 ALA N N 13 118.100 120.989 -2.889 1
1 149 . 4 1 1 A 14 14 HIS H H 14 7.160 7.186 -0.026 1
1 150 . 4 1 1 A 14 14 HIS HA H 14 3.990 4.298 -0.308 1
1 155 . 4 1 1 A 14 14 HIS CA C 14 56.500 54.715 1.785 1
1 156 . 4 1 1 A 14 14 HIS CB C 14 27.000 28.489 -1.489 1
1 159 . 4 1 1 A 14 14 HIS N N 14 113.200 113.815 -0.615 1
1 160 . 4 1 1 A 15 15 ARG H H 15 7.420 7.811 -0.391 1
1 161 . 4 1 1 A 15 15 ARG HA H 15 3.760 3.940 -0.180 1
1 168 . 4 1 1 A 15 15 ARG CA C 15 59.800 58.581 1.219 1
1 169 . 4 1 1 A 15 15 ARG CB C 15 29.800 29.779 0.021 1
1 172 . 4 1 1 A 15 15 ARG N N 15 121.100 120.050 1.050 1
1 173 . 4 1 1 A 16 16 SER H H 16 8.540 7.930 0.610 1
1 174 . 4 1 1 A 16 16 SER HA H 16 4.230 4.111 0.119 1
1 177 . 4 1 1 A 16 16 SER CA C 16 60.800 61.732 -0.932 1
1 178 . 4 1 1 A 16 16 SER CB C 16 62.200 62.829 -0.629 1
1 179 . 4 1 1 A 16 16 SER N N 16 114.100 117.979 -3.879 1
1 180 . 4 1 1 A 17 17 SER H H 17 7.680 7.850 -0.170 1
1 181 . 4 1 1 A 17 17 SER HA H 17 4.370 4.161 0.209 1
1 184 . 4 1 1 A 17 17 SER CA C 17 59.800 61.642 -1.842 1
1 185 . 4 1 1 A 17 17 SER CB C 17 63.100 63.174 -0.074 1
1 186 . 4 1 1 A 17 17 SER N N 17 116.700 117.589 -0.889 1
1 187 . 4 1 1 A 18 18 TRP H H 18 7.640 7.483 0.157 1
1 188 . 4 1 1 A 18 18 TRP HA H 18 4.990 4.868 0.122 1
1 197 . 4 1 1 A 18 18 TRP CA C 18 55.200 56.305 -1.105 1
1 198 . 4 1 1 A 18 18 TRP CB C 18 29.500 28.635 0.865 1
1 204 . 4 1 1 A 18 18 TRP N N 18 121.200 118.102 3.098 1
1 206 . 4 1 1 A 19 19 LYS H H 19 7.920 7.508 0.412 1
1 207 . 4 1 1 A 19 19 LYS HA H 19 4.180 4.989 -0.809 1
1 216 . 4 1 1 A 19 19 LYS CA C 19 58.100 54.962 3.138 1
1 217 . 4 1 1 A 19 19 LYS CB C 19 32.200 34.328 -2.128 1
1 221 . 4 1 1 A 19 19 LYS N N 19 121.100 121.558 -0.458 1
1 222 . 4 1 1 A 20 20 ASN H H 20 8.630 9.039 -0.409 1
1 223 . 4 1 1 A 20 20 ASN HA H 20 4.760 5.305 -0.545 1
1 228 . 4 1 1 A 20 20 ASN CA C 20 53.600 52.211 1.389 1
1 229 . 4 1 1 A 20 20 ASN CB C 20 38.200 40.252 -2.052 1
1 230 . 4 1 1 A 20 20 ASN N N 20 116.500 127.068 -10.568 1
1 232 . 4 1 1 A 21 21 THR H H 21 8.320 9.062 -0.742 1
1 233 . 4 1 1 A 21 21 THR HA H 21 4.470 5.037 -0.567 1
1 238 . 4 1 1 A 21 21 THR CA C 21 62.500 59.248 3.252 1
1 239 . 4 1 1 A 21 21 THR CB C 21 70.700 71.824 -1.124 1
1 241 . 4 1 1 A 21 21 THR N N 21 113.700 117.141 -3.441 1
1 242 . 4 1 1 A 22 22 LYS H H 22 8.440 8.960 -0.520 1
1 243 . 4 1 1 A 22 22 LYS HA H 22 4.500 4.374 0.126 1
1 252 . 4 1 1 A 22 22 LYS CA C 22 56.700 57.670 -0.970 1
1 253 . 4 1 1 A 22 22 LYS CB C 22 31.700 32.006 -0.306 1
1 257 . 4 1 1 A 22 22 LYS N N 22 120.900 121.286 -0.386 1
1 258 . 4 1 1 A 23 23 HIS H H 23 8.110 7.953 0.157 1
1 259 . 4 1 1 A 23 23 HIS HA H 23 4.450 4.190 0.260 1
1 264 . 4 1 1 A 23 23 HIS CA C 23 57.300 59.522 -2.222 1
1 265 . 4 1 1 A 23 23 HIS CB C 23 27.900 29.530 -1.630 1
1 268 . 4 1 1 A 23 23 HIS N N 23 116.800 120.214 -3.414 1
1 269 . 4 1 1 A 24 24 ALA H H 24 8.490 8.158 0.332 1
1 270 . 4 1 1 A 24 24 ALA HA H 24 4.000 3.608 0.392 1
1 274 . 4 1 1 A 24 24 ALA CA C 24 55.700 55.126 0.574 1
1 275 . 4 1 1 A 24 24 ALA CB C 24 18.000 18.367 -0.367 1
1 276 . 4 1 1 A 24 24 ALA N N 24 121.700 120.959 0.741 1
1 277 . 4 1 1 A 25 25 ASP H H 25 8.370 8.300 0.070 1
1 278 . 4 1 1 A 25 25 ASP HA H 25 4.450 4.373 0.077 1
1 281 . 4 1 1 A 25 25 ASP CA C 25 56.800 57.616 -0.816 1
1 282 . 4 1 1 A 25 25 ASP CB C 25 40.200 41.318 -1.118 1
1 283 . 4 1 1 A 25 25 ASP N N 25 119.100 118.560 0.540 1
1 284 . 4 1 1 A 26 26 GLN H H 26 8.020 8.434 -0.414 1
1 285 . 4 1 1 A 26 26 GLN HA H 26 4.250 4.032 0.218 1
1 292 . 4 1 1 A 26 26 GLN CA C 26 58.600 59.258 -0.658 1
1 293 . 4 1 1 A 26 26 GLN CB C 26 28.500 28.145 0.355 1
1 295 . 4 1 1 A 26 26 GLN N N 26 119.500 117.600 1.900 1
1 297 . 4 1 1 A 27 27 TRP H H 27 8.610 8.043 0.567 1
1 298 . 4 1 1 A 27 27 TRP HA H 27 3.840 4.358 -0.518 1
1 307 . 4 1 1 A 27 27 TRP CA C 27 62.400 59.822 2.578 1
1 308 . 4 1 1 A 27 27 TRP CB C 27 28.300 29.114 -0.814 1
1 314 . 4 1 1 A 27 27 TRP N N 27 122.000 121.431 0.569 1
1 316 . 4 1 1 A 28 28 THR H H 28 8.460 8.260 0.200 1
1 317 . 4 1 1 A 28 28 THR HA H 28 3.790 4.012 -0.222 1
1 322 . 4 1 1 A 28 28 THR CA C 28 67.000 67.490 -0.490 1
1 323 . 4 1 1 A 28 28 THR CB C 28 68.900 68.666 0.234 1
1 325 . 4 1 1 A 28 28 THR N N 28 114.800 115.432 -0.632 1
1 326 . 4 1 1 A 29 29 ASN H H 29 8.650 8.509 0.141 1
1 327 . 4 1 1 A 29 29 ASN HA H 29 4.530 4.441 0.089 1
1 332 . 4 1 1 A 29 29 ASN CA C 29 56.600 56.588 0.012 1
1 333 . 4 1 1 A 29 29 ASN CB C 29 38.400 38.627 -0.227 1
1 334 . 4 1 1 A 29 29 ASN N N 29 118.500 118.771 -0.271 1
1 336 . 4 1 1 A 30 30 THR H H 30 8.170 7.854 0.316 1
1 337 . 4 1 1 A 30 30 THR HA H 30 4.160 3.992 0.168 1
1 342 . 4 1 1 A 30 30 THR CA C 30 66.100 67.266 -1.166 1
1 343 . 4 1 1 A 30 30 THR CB C 30 69.300 67.964 1.336 1
1 345 . 4 1 1 A 30 30 THR N N 30 113.100 116.279 -3.179 1
1 346 . 4 1 1 A 31 31 ILE H H 31 8.030 7.663 0.367 1
1 347 . 4 1 1 A 31 31 ILE HA H 31 3.850 3.599 0.251 1
1 357 . 4 1 1 A 31 31 ILE CA C 31 65.200 65.775 -0.575 1
1 358 . 4 1 1 A 31 31 ILE CB C 31 36.300 37.844 -1.544 1
1 362 . 4 1 1 A 31 31 ILE N N 31 122.000 121.399 0.601 1
1 363 . 4 1 1 A 32 32 LYS H H 32 8.320 8.184 0.136 1
1 364 . 4 1 1 A 32 32 LYS HA H 32 4.090 4.145 -0.055 1
1 373 . 4 1 1 A 32 32 LYS CA C 32 60.500 59.328 1.172 1
1 374 . 4 1 1 A 32 32 LYS CB C 32 32.500 32.036 0.464 1
1 378 . 4 1 1 A 32 32 LYS N N 32 121.300 121.569 -0.269 1
1 379 . 4 1 1 A 33 33 THR H H 33 8.160 7.478 0.682 1
1 380 . 4 1 1 A 33 33 THR HA H 33 3.690 3.895 -0.205 1
1 385 . 4 1 1 A 33 33 THR CA C 33 66.500 66.292 0.208 1
1 386 . 4 1 1 A 33 33 THR CB C 33 69.200 68.916 0.284 1
1 388 . 4 1 1 A 33 33 THR N N 33 113.400 116.371 -2.971 1
1 389 . 4 1 1 A 34 34 TYR H H 34 7.640 7.874 -0.234 1
1 390 . 4 1 1 A 34 34 TYR HA H 34 4.670 4.361 0.309 1
1 397 . 4 1 1 A 34 34 TYR CA C 34 59.800 60.572 -0.772 1
1 398 . 4 1 1 A 34 34 TYR CB C 34 39.800 39.058 0.742 1
1 401 . 4 1 1 A 34 34 TYR N N 34 113.700 118.803 -5.103 1
1 402 . 4 1 1 A 35 35 CYS H H 35 8.170 8.350 -0.180 1
1 403 . 4 1 1 A 35 35 CYS HA H 35 4.470 4.271 0.199 1
1 406 . 4 1 1 A 35 35 CYS CA C 35 60.700 62.487 -1.787 1
1 407 . 4 1 1 A 35 35 CYS CB C 35 27.700 27.299 0.401 1
1 408 . 4 1 1 A 35 35 CYS N N 35 113.100 118.365 -5.265 1
1 409 . 4 1 1 A 36 36 GLY H H 36 8.110 8.060 0.050 1
1 410 . 4 1 1 A 36 36 GLY HA2 H 36 3.880 3.792 0.088 1
1 411 . 4 1 1 A 36 36 GLY HA3 H 36 4.480 3.829 0.651 1
1 412 . 4 1 1 A 36 36 GLY CA C 36 49.400 48.254 1.146 1
1 413 . 4 1 1 A 36 36 GLY N N 36 110.800 109.513 1.287 1
1 414 . 4 1 1 A 37 37 PRO HA H 37 4.470 4.333 0.137 1
1 421 . 4 1 1 A 37 37 PRO CA C 37 64.400 65.026 -0.626 1
1 422 . 4 1 1 A 37 37 PRO CB C 37 32.700 31.370 1.330 1
1 425 . 4 1 1 A 38 38 VAL H H 38 7.270 7.910 -0.640 1
1 426 . 4 1 1 A 38 38 VAL HA H 38 4.190 3.927 0.263 1
1 434 . 4 1 1 A 38 38 VAL CA C 38 63.600 64.148 -0.548 1
1 435 . 4 1 1 A 38 38 VAL CB C 38 34.800 32.618 2.182 1
1 438 . 4 1 1 A 38 38 VAL N N 38 113.900 115.893 -1.993 1
1 439 . 4 1 1 A 39 39 ILE H H 39 7.590 7.866 -0.276 1
1 440 . 4 1 1 A 39 39 ILE HA H 39 4.590 4.455 0.135 1
1 450 . 4 1 1 A 39 39 ILE CA C 39 60.500 60.408 0.092 1
1 451 . 4 1 1 A 39 39 ILE CB C 39 39.500 38.394 1.106 1
1 455 . 4 1 1 A 39 39 ILE N N 39 107.400 114.043 -6.643 1
1 456 . 4 1 1 A 40 40 GLY H H 40 7.670 8.212 -0.542 1
1 457 . 4 1 1 A 40 40 GLY HA2 H 40 4.040 3.839 0.201 1
1 458 . 4 1 1 A 40 40 GLY HA3 H 40 4.430 3.951 0.479 1
1 459 . 4 1 1 A 40 40 GLY CA C 40 49.400 48.114 1.286 1
1 460 . 4 1 1 A 40 40 GLY N N 40 109.200 112.256 -3.056 1
1 461 . 4 1 1 A 41 41 PRO HA H 41 4.770 4.524 0.246 1
1 468 . 4 1 1 A 41 41 PRO CA C 41 63.200 63.921 -0.721 1
1 469 . 4 1 1 A 41 41 PRO CB C 41 31.800 31.978 -0.178 1
1 472 . 4 1 1 A 42 42 LEU H H 42 7.540 7.632 -0.092 1
1 473 . 4 1 1 A 42 42 LEU HA H 42 4.320 4.438 -0.118 1
1 483 . 4 1 1 A 42 42 LEU CA C 42 54.000 54.196 -0.196 1
1 484 . 4 1 1 A 42 42 LEU CB C 42 42.000 42.732 -0.732 1
1 488 . 4 1 1 A 42 42 LEU N N 42 119.600 120.374 -0.774 1
1 489 . 4 1 1 A 43 43 SER H H 43 8.880 8.570 0.310 1
1 490 . 4 1 1 A 43 43 SER HA H 43 4.510 4.783 -0.273 1
1 493 . 4 1 1 A 43 43 SER CA C 43 58.600 58.618 -0.018 1
1 494 . 4 1 1 A 43 43 SER CB C 43 63.000 63.508 -0.508 1
1 495 . 4 1 1 A 43 43 SER N N 43 116.100 116.841 -0.741 1
1 496 . 4 1 1 A 44 44 VAL H H 44 9.020 8.756 0.264 1
1 497 . 4 1 1 A 44 44 VAL HA H 44 3.920 4.171 -0.251 1
1 505 . 4 1 1 A 44 44 VAL CA C 44 65.900 64.818 1.082 1
1 506 . 4 1 1 A 44 44 VAL CB C 44 32.100 31.995 0.105 1
1 509 . 4 1 1 A 44 44 VAL N N 44 124.400 126.480 -2.080 1
1 510 . 4 1 1 A 45 45 GLN H H 45 8.700 7.882 0.818 1
1 511 . 4 1 1 A 45 45 GLN HA H 45 4.170 4.217 -0.047 1
1 518 . 4 1 1 A 45 45 GLN CA C 45 57.400 57.809 -0.409 1
1 519 . 4 1 1 A 45 45 GLN CB C 45 29.000 28.602 0.398 1
1 521 . 4 1 1 A 45 45 GLN N N 45 120.500 118.919 1.581 1
1 523 . 4 1 1 A 46 46 ASP H H 46 7.870 7.945 -0.075 1
1 524 . 4 1 1 A 46 46 ASP HA H 46 4.720 4.672 0.048 1
1 527 . 4 1 1 A 46 46 ASP CA C 46 54.400 55.742 -1.342 1
1 528 . 4 1 1 A 46 46 ASP CB C 46 40.800 41.711 -0.911 1
1 529 . 4 1 1 A 46 46 ASP N N 46 117.200 120.107 -2.907 1
1 530 . 4 1 1 A 47 47 VAL H H 47 6.970 7.081 -0.111 1
1 531 . 4 1 1 A 47 47 VAL HA H 47 3.490 3.892 -0.402 1
1 539 . 4 1 1 A 47 47 VAL CA C 47 65.200 62.800 2.400 1
1 540 . 4 1 1 A 47 47 VAL CB C 47 31.100 31.795 -0.695 1
1 543 . 4 1 1 A 47 47 VAL N N 47 118.500 120.944 -2.444 1
1 544 . 4 1 1 A 48 48 ASP H H 48 7.220 8.598 -1.378 1
1 545 . 4 1 1 A 48 48 ASP HA H 48 4.910 4.917 -0.007 1
1 548 . 4 1 1 A 48 48 ASP CA C 48 51.600 52.623 -1.023 1
1 549 . 4 1 1 A 48 48 ASP CB C 48 42.700 43.390 -0.690 1
1 550 . 4 1 1 A 48 48 ASP N N 48 128.000 128.060 -0.060 1
1 551 . 4 1 1 A 49 49 THR H H 49 8.490 8.826 -0.336 1
1 552 . 4 1 1 A 49 49 THR HA H 49 3.770 3.732 0.038 1
1 557 . 4 1 1 A 49 49 THR CA C 49 67.300 66.293 1.007 1
1 558 . 4 1 1 A 49 49 THR CB C 49 68.900 68.539 0.361 1
1 560 . 4 1 1 A 49 49 THR N N 49 115.800 115.707 0.093 1
1 561 . 4 1 1 A 50 50 LYS H H 50 7.860 8.147 -0.287 1
1 562 . 4 1 1 A 50 50 LYS HA H 50 3.860 4.032 -0.172 1
1 571 . 4 1 1 A 50 50 LYS CA C 50 60.000 59.673 0.327 1
1 572 . 4 1 1 A 50 50 LYS CB C 50 31.600 31.801 -0.201 1
1 576 . 4 1 1 A 50 50 LYS N N 50 120.500 121.009 -0.509 1
1 577 . 4 1 1 A 51 51 LEU H H 51 8.190 8.036 0.154 1
1 578 . 4 1 1 A 51 51 LEU HA H 51 4.050 4.017 0.033 1
1 588 . 4 1 1 A 51 51 LEU CA C 51 57.600 58.158 -0.558 1
1 589 . 4 1 1 A 51 51 LEU CB C 51 42.400 41.533 0.867 1
1 593 . 4 1 1 A 51 51 LEU N N 51 120.600 119.004 1.596 1
1 594 . 4 1 1 A 52 52 ILE H H 52 7.850 7.955 -0.105 1
1 595 . 4 1 1 A 52 52 ILE HA H 52 3.440 3.478 -0.038 1
1 605 . 4 1 1 A 52 52 ILE CA C 52 65.200 64.974 0.226 1
1 606 . 4 1 1 A 52 52 ILE CB C 52 36.700 37.302 -0.602 1
1 610 . 4 1 1 A 52 52 ILE N N 52 118.600 120.155 -1.555 1
1 611 . 4 1 1 A 53 53 MET H H 53 8.540 8.426 0.114 1
1 612 . 4 1 1 A 53 53 MET HA H 53 4.040 4.253 -0.213 1
1 620 . 4 1 1 A 53 53 MET CA C 53 59.000 59.062 -0.062 1
1 621 . 4 1 1 A 53 53 MET CB C 53 31.300 32.586 -1.286 1
1 624 . 4 1 1 A 53 53 MET N N 53 118.600 118.321 0.279 1
1 625 . 4 1 1 A 54 54 LYS H H 54 7.620 7.546 0.074 1
1 626 . 4 1 1 A 54 54 LYS HA H 54 4.140 4.077 0.063 1
1 635 . 4 1 1 A 54 54 LYS CA C 54 59.200 58.875 0.325 1
1 636 . 4 1 1 A 54 54 LYS CB C 54 32.300 32.589 -0.289 1
1 640 . 4 1 1 A 54 54 LYS N N 54 119.100 119.717 -0.617 1
1 641 . 4 1 1 A 55 55 VAL H H 55 7.560 7.404 0.156 1
1 642 . 4 1 1 A 55 55 VAL HA H 55 3.670 3.580 0.090 1
1 650 . 4 1 1 A 55 55 VAL CA C 55 65.600 66.036 -0.436 1
1 651 . 4 1 1 A 55 55 VAL CB C 55 31.900 31.659 0.241 1
1 654 . 4 1 1 A 55 55 VAL N N 55 117.200 119.741 -2.541 1
1 655 . 4 1 1 A 56 56 LEU H H 56 7.790 8.208 -0.418 1
1 656 . 4 1 1 A 56 56 LEU HA H 56 3.900 3.913 -0.013 1
1 666 . 4 1 1 A 56 56 LEU CA C 56 56.400 57.727 -1.327 1
1 667 . 4 1 1 A 56 56 LEU CB C 56 42.700 41.193 1.507 1
1 671 . 4 1 1 A 56 56 LEU N N 56 114.400 118.535 -4.135 1
1 672 . 4 1 1 A 57 57 ASP H H 57 8.850 8.104 0.746 1
1 673 . 4 1 1 A 57 57 ASP HA H 57 4.140 4.643 -0.503 1
1 676 . 4 1 1 A 57 57 ASP CA C 57 59.100 59.376 -0.276 1
1 677 . 4 1 1 A 57 57 ASP CB C 57 38.200 38.251 -0.051 1
1 678 . 4 1 1 A 57 57 ASP N N 57 120.500 121.012 -0.512 1
1 679 . 4 1 1 A 58 58 PRO HA H 58 4.520 4.440 0.080 1
1 686 . 4 1 1 A 58 58 PRO CA C 58 65.300 65.091 0.209 1
1 687 . 4 1 1 A 58 58 PRO CB C 58 31.700 31.375 0.325 1
1 690 . 4 1 1 A 59 59 ILE H H 59 7.400 7.362 0.038 1
1 691 . 4 1 1 A 59 59 ILE HA H 59 4.060 3.784 0.276 1
1 701 . 4 1 1 A 59 59 ILE CA C 59 62.300 63.703 -1.403 1
1 702 . 4 1 1 A 59 59 ILE CB C 59 39.300 36.492 2.808 1
1 706 . 4 1 1 A 59 59 ILE N N 59 113.300 116.427 -3.127 1
1 707 . 4 1 1 A 60 60 TRP H H 60 8.000 7.640 0.360 1
1 708 . 4 1 1 A 60 60 TRP HA H 60 3.830 4.383 -0.553 1
1 717 . 4 1 1 A 60 60 TRP CA C 60 61.300 59.965 1.335 1
1 718 . 4 1 1 A 60 60 TRP CB C 60 29.700 29.398 0.302 1
1 724 . 4 1 1 A 60 60 TRP N N 60 120.900 120.971 -0.071 1
1 726 . 4 1 1 A 61 61 GLU H H 61 7.840 8.787 -0.947 1
1 727 . 4 1 1 A 61 61 GLU HA H 61 4.110 3.923 0.187 1
1 732 . 4 1 1 A 61 61 GLU CA C 61 58.100 60.222 -2.122 1
1 733 . 4 1 1 A 61 61 GLU CB C 61 29.500 29.459 0.041 1
1 735 . 4 1 1 A 61 61 GLU N N 61 112.300 120.268 -7.968 1
1 736 . 4 1 1 A 62 62 GLN H H 62 7.710 7.752 -0.042 1
1 737 . 4 1 1 A 62 62 GLN HA H 62 4.400 4.466 -0.066 1
1 744 . 4 1 1 A 62 62 GLN CA C 62 57.200 57.105 0.095 1
1 745 . 4 1 1 A 62 62 GLN CB C 62 30.800 30.243 0.557 1
1 747 . 4 1 1 A 62 62 GLN N N 62 115.200 116.219 -1.019 1
1 749 . 4 1 1 A 63 63 LYS H H 63 8.500 8.199 0.301 1
1 750 . 4 1 1 A 63 63 LYS HA H 63 4.860 4.762 0.098 1
1 759 . 4 1 1 A 63 63 LYS CA C 63 53.300 53.697 -0.397 1
1 760 . 4 1 1 A 63 63 LYS CB C 63 33.800 32.817 0.983 1
1 764 . 4 1 1 A 63 63 LYS N N 63 117.800 118.871 -1.071 1
1 765 . 4 1 1 A 64 64 PRO HA H 64 4.110 4.133 -0.023 1
1 772 . 4 1 1 A 64 64 PRO CA C 64 66.000 65.316 0.684 1
1 773 . 4 1 1 A 64 64 PRO CB C 64 31.500 32.011 -0.511 1
1 776 . 4 1 1 A 65 65 GLU H H 65 8.680 7.977 0.703 1
1 777 . 4 1 1 A 65 65 GLU HA H 65 4.120 4.112 0.008 1
1 782 . 4 1 1 A 65 65 GLU CA C 65 59.300 59.622 -0.322 1
1 783 . 4 1 1 A 65 65 GLU CB C 65 28.500 29.314 -0.814 1
1 785 . 4 1 1 A 65 65 GLU N N 65 117.800 118.301 -0.501 1
1 786 . 4 1 1 A 66 66 THR H H 66 7.370 7.950 -0.580 1
1 787 . 4 1 1 A 66 66 THR HA H 66 3.820 3.761 0.059 1
1 792 . 4 1 1 A 66 66 THR CA C 66 66.200 66.334 -0.134 1
1 793 . 4 1 1 A 66 66 THR CB C 66 68.200 68.481 -0.281 1
1 795 . 4 1 1 A 66 66 THR N N 66 117.800 117.186 0.614 1
1 796 . 4 1 1 A 67 67 ALA H H 67 7.890 7.950 -0.060 1
1 797 . 4 1 1 A 67 67 ALA HA H 67 3.380 3.548 -0.168 1
1 801 . 4 1 1 A 67 67 ALA CA C 67 55.200 54.938 0.262 1
1 802 . 4 1 1 A 67 67 ALA CB C 67 17.400 17.081 0.319 1
1 803 . 4 1 1 A 67 67 ALA N N 67 123.900 123.987 -0.087 1
1 804 . 4 1 1 A 68 68 SER H H 68 7.920 7.745 0.175 1
1 805 . 4 1 1 A 68 68 SER HA H 68 4.070 4.126 -0.056 1
1 808 . 4 1 1 A 68 68 SER CA C 68 61.200 60.379 0.821 1
1 809 . 4 1 1 A 68 68 SER CB C 68 62.700 62.889 -0.189 1
1 810 . 4 1 1 A 68 68 SER N N 68 111.500 113.461 -1.961 1
1 811 . 4 1 1 A 69 69 ARG H H 69 7.840 7.824 0.016 1
1 812 . 4 1 1 A 69 69 ARG HA H 69 4.010 4.017 -0.007 1
1 819 . 4 1 1 A 69 69 ARG CA C 69 58.700 58.721 -0.021 1
1 820 . 4 1 1 A 69 69 ARG CB C 69 30.000 29.717 0.283 1
1 823 . 4 1 1 A 69 69 ARG N N 69 121.200 121.996 -0.796 1
1 824 . 4 1 1 A 70 70 LEU H H 70 8.490 8.295 0.195 1
1 825 . 4 1 1 A 70 70 LEU HA H 70 3.740 3.854 -0.114 1
1 835 . 4 1 1 A 70 70 LEU CA C 70 57.500 57.419 0.081 1
1 836 . 4 1 1 A 70 70 LEU CB C 70 41.100 41.594 -0.494 1
1 840 . 4 1 1 A 70 70 LEU N N 70 121.100 121.026 0.074 1
1 841 . 4 1 1 A 71 71 ARG H H 71 8.460 8.127 0.333 1
1 842 . 4 1 1 A 71 71 ARG HA H 71 3.540 3.886 -0.346 1
1 850 . 4 1 1 A 71 71 ARG CA C 71 60.700 59.709 0.991 1
1 851 . 4 1 1 A 71 71 ARG CB C 71 28.000 29.847 -1.847 1
1 854 . 4 1 1 A 71 71 ARG N N 71 119.800 119.447 0.353 1
1 856 . 4 1 1 A 72 72 GLY H H 72 7.530 7.948 -0.418 1
1 857 . 4 1 1 A 72 72 GLY HA2 H 72 3.980 3.711 0.269 1
1 858 . 4 1 1 A 72 72 GLY HA3 H 72 3.870 3.730 0.140 1
1 859 . 4 1 1 A 72 72 GLY CA C 72 47.100 47.148 -0.048 1
1 860 . 4 1 1 A 72 72 GLY N N 72 103.400 107.159 -3.759 1
1 861 . 4 1 1 A 73 73 ARG H H 73 7.800 7.469 0.331 1
1 862 . 4 1 1 A 73 73 ARG HA H 73 3.930 3.713 0.217 1
1 869 . 4 1 1 A 73 73 ARG CA C 73 59.400 59.140 0.260 1
1 870 . 4 1 1 A 73 73 ARG CB C 73 29.500 29.373 0.127 1
1 873 . 4 1 1 A 73 73 ARG N N 73 122.800 121.329 1.471 1
1 874 . 4 1 1 A 74 74 ILE H H 74 8.420 7.956 0.464 1
1 875 . 4 1 1 A 74 74 ILE HA H 74 3.440 3.739 -0.299 1
1 885 . 4 1 1 A 74 74 ILE CA C 74 66.500 65.724 0.776 1
1 886 . 4 1 1 A 74 74 ILE CB C 74 38.300 37.735 0.565 1
1 890 . 4 1 1 A 74 74 ILE N N 74 118.800 120.799 -1.999 1
1 891 . 4 1 1 A 75 75 GLU H H 75 8.620 8.085 0.535 1
1 892 . 4 1 1 A 75 75 GLU HA H 75 3.840 4.000 -0.160 1
1 897 . 4 1 1 A 75 75 GLU CA C 75 59.900 59.805 0.095 1
1 898 . 4 1 1 A 75 75 GLU CB C 75 29.400 29.520 -0.120 1
1 900 . 4 1 1 A 75 75 GLU N N 75 119.200 121.926 -2.726 1
1 901 . 4 1 1 A 76 76 SER H H 76 8.380 7.997 0.383 1
1 902 . 4 1 1 A 76 76 SER HA H 76 4.460 4.189 0.271 1
1 905 . 4 1 1 A 76 76 SER CA C 76 62.900 62.696 0.204 1
1 906 . 4 1 1 A 76 76 SER CB C 76 63.000 63.082 -0.082 1
1 907 . 4 1 1 A 76 76 SER N N 76 116.000 117.015 -1.015 1
1 908 . 4 1 1 A 77 77 VAL H H 77 8.190 7.954 0.236 1
1 909 . 4 1 1 A 77 77 VAL HA H 77 3.290 3.145 0.145 1
1 917 . 4 1 1 A 77 77 VAL CA C 77 66.800 66.706 0.094 1
1 918 . 4 1 1 A 77 77 VAL CB C 77 31.400 31.541 -0.141 1
1 921 . 4 1 1 A 77 77 VAL N N 77 122.800 121.802 0.998 1
1 922 . 4 1 1 A 78 78 LEU H H 78 8.590 8.549 0.041 1
1 923 . 4 1 1 A 78 78 LEU HA H 78 4.270 4.030 0.240 1
1 933 . 4 1 1 A 78 78 LEU CA C 78 57.800 58.256 -0.456 1
1 934 . 4 1 1 A 78 78 LEU CB C 78 40.900 40.843 0.057 1
1 938 . 4 1 1 A 78 78 LEU N N 78 116.900 118.821 -1.921 1
1 939 . 4 1 1 A 79 79 ASP H H 79 8.790 8.386 0.404 1
1 940 . 4 1 1 A 79 79 ASP HA H 79 4.730 4.338 0.392 1
1 943 . 4 1 1 A 79 79 ASP CA C 79 57.900 57.381 0.519 1
1 944 . 4 1 1 A 79 79 ASP CB C 79 40.400 41.522 -1.122 1
1 945 . 4 1 1 A 79 79 ASP N N 79 123.800 118.927 4.873 1
1 946 . 4 1 1 A 80 80 TRP H H 80 8.210 8.096 0.114 1
1 947 . 4 1 1 A 80 80 TRP HA H 80 4.380 4.340 0.040 1
1 956 . 4 1 1 A 80 80 TRP CA C 80 61.600 61.420 0.180 1
1 957 . 4 1 1 A 80 80 TRP CB C 80 29.100 29.377 -0.277 1
1 963 . 4 1 1 A 80 80 TRP N N 80 123.700 121.796 1.904 1
1 965 . 4 1 1 A 81 81 ALA H H 81 8.980 8.841 0.139 1
1 966 . 4 1 1 A 81 81 ALA HA H 81 3.850 3.998 -0.148 1
1 970 . 4 1 1 A 81 81 ALA CA C 81 54.500 55.319 -0.819 1
1 971 . 4 1 1 A 81 81 ALA CB C 81 19.600 18.149 1.451 1
1 972 . 4 1 1 A 81 81 ALA N N 81 118.400 120.810 -2.410 1
1 973 . 4 1 1 A 82 82 THR H H 82 7.990 7.809 0.181 1
1 974 . 4 1 1 A 82 82 THR HA H 82 4.310 4.531 -0.221 1
1 979 . 4 1 1 A 82 82 THR CA C 82 65.800 66.479 -0.679 1
1 980 . 4 1 1 A 82 82 THR CB C 82 68.800 68.254 0.546 1
1 982 . 4 1 1 A 82 82 THR N N 82 116.400 114.821 1.579 1
1 983 . 4 1 1 A 83 83 VAL H H 83 7.970 7.749 0.221 1
1 984 . 4 1 1 A 83 83 VAL HA H 83 3.720 3.578 0.142 1
1 992 . 4 1 1 A 83 83 VAL CA C 83 65.900 66.695 -0.795 1
1 993 . 4 1 1 A 83 83 VAL CB C 83 31.400 31.419 -0.019 1
1 996 . 4 1 1 A 83 83 VAL N N 83 123.700 121.838 1.862 1
1 997 . 4 1 1 A 84 84 ARG H H 84 7.300 7.611 -0.311 1
1 998 . 4 1 1 A 84 84 ARG HA H 84 3.740 3.909 -0.169 1
1 1005 . 4 1 1 A 84 84 ARG CA C 84 55.300 55.931 -0.631 1
1 1006 . 4 1 1 A 84 84 ARG CB C 84 29.400 29.979 -0.579 1
1 1009 . 4 1 1 A 84 84 ARG N N 84 115.400 118.189 -2.789 1
1 1010 . 4 1 1 A 85 85 GLY H H 85 7.510 7.504 0.006 1
1 1011 . 4 1 1 A 85 85 GLY HA2 H 85 4.010 3.780 0.230 1
1 1012 . 4 1 1 A 85 85 GLY HA3 H 85 3.830 3.878 -0.048 1
1 1013 . 4 1 1 A 85 85 GLY CA C 85 45.400 45.296 0.104 1
1 1014 . 4 1 1 A 85 85 GLY N N 85 105.600 106.796 -1.196 1
1 1015 . 4 1 1 A 86 86 TYR H H 86 8.120 8.130 -0.010 1
1 1016 . 4 1 1 A 86 86 TYR HA H 86 4.740 4.513 0.227 1
1 1023 . 4 1 1 A 86 86 TYR CA C 86 55.800 59.264 -3.464 1
1 1024 . 4 1 1 A 86 86 TYR CB C 86 38.000 39.267 -1.267 1
1 1027 . 4 1 1 A 86 86 TYR N N 86 118.700 118.969 -0.269 1
1 1028 . 4 1 1 A 87 87 ARG H H 87 7.500 7.748 -0.248 1
1 1029 . 4 1 1 A 87 87 ARG HA H 87 4.710 4.702 0.008 1
1 1037 . 4 1 1 A 87 87 ARG CA C 87 54.100 55.096 -0.996 1
1 1038 . 4 1 1 A 87 87 ARG CB C 87 31.900 33.351 -1.451 1
1 1041 . 4 1 1 A 87 87 ARG N N 87 111.200 116.431 -5.231 1
1 1043 . 4 1 1 A 88 88 GLU H H 88 9.190 8.666 0.524 1
1 1044 . 4 1 1 A 88 88 GLU HA H 88 4.760 4.905 -0.145 1
1 1049 . 4 1 1 A 88 88 GLU CA C 88 54.800 54.984 -0.184 1
1 1050 . 4 1 1 A 88 88 GLU CB C 88 32.500 32.806 -0.306 1
1 1052 . 4 1 1 A 88 88 GLU N N 88 118.800 120.158 -1.358 1
1 1053 . 4 1 1 A 89 89 GLY H H 89 8.580 8.374 0.206 1
1 1054 . 4 1 1 A 89 89 GLY HA2 H 89 3.850 4.075 -0.225 1
1 1055 . 4 1 1 A 89 89 GLY HA3 H 89 4.500 4.076 0.424 1
1 1056 . 4 1 1 A 89 89 GLY CA C 89 43.700 44.371 -0.671 1
1 1057 . 4 1 1 A 89 89 GLY N N 89 107.900 108.499 -0.599 1
1 1058 . 4 1 1 A 90 90 ASP H H 90 8.630 8.390 0.240 1
1 1059 . 4 1 1 A 90 90 ASP HA H 90 4.480 5.041 -0.561 1
1 1062 . 4 1 1 A 90 90 ASP CA C 90 54.600 52.056 2.544 1
1 1063 . 4 1 1 A 90 90 ASP CB C 90 40.500 43.532 -3.032 1
1 1064 . 4 1 1 A 90 90 ASP N N 90 120.700 122.744 -2.044 1
1 1065 . 4 1 1 A 91 91 ASN H H 91 8.930 8.667 0.263 1
1 1066 . 4 1 1 A 91 91 ASN HA H 91 4.580 5.166 -0.586 1
1 1071 . 4 1 1 A 91 91 ASN CA C 91 51.100 49.873 1.227 1
1 1072 . 4 1 1 A 91 91 ASN CB C 91 39.100 39.286 -0.186 1
1 1073 . 4 1 1 A 91 91 ASN N N 91 122.700 119.809 2.891 1
1 1075 . 4 1 1 A 92 92 PRO HA H 92 4.490 4.228 0.262 1
1 1082 . 4 1 1 A 92 92 PRO CA C 92 63.500 64.148 -0.648 1
1 1083 . 4 1 1 A 92 92 PRO CB C 92 32.300 31.944 0.356 1
1 1086 . 4 1 1 A 93 93 ALA H H 93 8.610 7.817 0.793 1
1 1087 . 4 1 1 A 93 93 ALA HA H 93 4.450 4.119 0.331 1
1 1091 . 4 1 1 A 93 93 ALA CA C 93 52.000 52.779 -0.779 1
1 1092 . 4 1 1 A 93 93 ALA CB C 93 18.100 19.319 -1.219 1
1 1093 . 4 1 1 A 93 93 ALA N N 93 120.500 117.756 2.744 1
1 1094 . 4 1 1 A 94 94 ARG H H 94 7.280 8.172 -0.892 1
1 1095 . 4 1 1 A 94 94 ARG HA H 94 3.830 4.459 -0.629 1
1 1102 . 4 1 1 A 94 94 ARG CA C 94 55.500 55.965 -0.465 1
1 1103 . 4 1 1 A 94 94 ARG CB C 94 30.500 30.770 -0.270 1
1 1106 . 4 1 1 A 94 94 ARG N N 94 118.100 119.617 -1.517 1
1 1107 . 4 1 1 A 95 95 TRP H H 95 7.310 8.772 -1.462 1
1 1108 . 4 1 1 A 95 95 TRP HA H 95 4.610 4.918 -0.308 1
1 1117 . 4 1 1 A 95 95 TRP CA C 95 55.200 58.166 -2.966 1
1 1118 . 4 1 1 A 95 95 TRP CB C 95 29.500 31.210 -1.710 1
1 1124 . 4 1 1 A 95 95 TRP N N 95 121.200 126.373 -5.173 1
1 1126 . 4 1 1 A 96 96 ARG H H 96 8.380 8.026 0.354 1
1 1127 . 4 1 1 A 96 96 ARG HA H 96 4.140 4.022 0.118 1
1 1134 . 4 1 1 A 96 96 ARG CA C 96 57.200 57.771 -0.571 1
1 1135 . 4 1 1 A 96 96 ARG CB C 96 29.900 28.026 1.874 1
1 1138 . 4 1 1 A 96 96 ARG N N 96 122.100 116.795 5.305 1
1 1139 . 4 1 1 A 97 97 GLY H H 97 7.920 8.816 -0.896 1
1 1140 . 4 1 1 A 97 97 GLY HA2 H 97 3.710 4.251 -0.541 1
1 1141 . 4 1 1 A 97 97 GLY HA3 H 97 3.630 4.291 -0.661 1
1 1142 . 4 1 1 A 97 97 GLY CA C 97 45.700 45.203 0.497 1
1 1143 . 4 1 1 A 97 97 GLY N N 97 110.500 106.479 4.021 1
1 1144 . 4 1 1 A 98 98 TYR H H 98 7.770 9.142 -1.372 1
1 1145 . 4 1 1 A 98 98 TYR HA H 98 4.090 4.141 -0.051 1
1 1152 . 4 1 1 A 98 98 TYR CA C 98 59.900 57.566 2.334 1
1 1153 . 4 1 1 A 98 98 TYR CB C 98 37.100 40.428 -3.328 1
1 1156 . 4 1 1 A 98 98 TYR N N 98 120.400 123.870 -3.470 1
1 1157 . 4 1 1 A 99 99 LEU H H 99 7.820 8.274 -0.454 1
1 1158 . 4 1 1 A 99 99 LEU HA H 99 3.890 3.741 0.149 1
1 1168 . 4 1 1 A 99 99 LEU CA C 99 55.600 57.873 -2.273 1
1 1169 . 4 1 1 A 99 99 LEU CB C 99 41.600 41.886 -0.286 1
1 1173 . 4 1 1 A 99 99 LEU N N 99 120.700 121.121 -0.421 1
1 1174 . 4 1 1 A 100 100 GLU H H 100 7.680 7.471 0.209 1
1 1175 . 4 1 1 A 100 100 GLU HA H 100 3.900 4.534 -0.634 1
1 1180 . 4 1 1 A 100 100 GLU CA C 100 56.500 55.441 1.059 1
1 1181 . 4 1 1 A 100 100 GLU CB C 100 29.500 32.877 -3.377 1
1 13 . 5 1 1 A 2 2 THR H H 2 9.230 9.256 -0.026 1
1 14 . 5 1 1 A 2 2 THR HA H 2 5.080 5.020 0.060 1
1 19 . 5 1 1 A 2 2 THR CA C 2 61.000 60.672 0.328 1
1 20 . 5 1 1 A 2 2 THR CB C 2 70.800 71.527 -0.727 1
1 22 . 5 1 1 A 2 2 THR N N 2 119.100 116.890 2.210 1
1 23 . 5 1 1 A 3 3 PHE H H 3 9.290 9.301 -0.011 1
1 24 . 5 1 1 A 3 3 PHE HA H 3 3.880 4.141 -0.261 1
1 32 . 5 1 1 A 3 3 PHE CA C 3 63.900 62.256 1.644 1
1 33 . 5 1 1 A 3 3 PHE CB C 3 38.800 39.301 -0.501 1
1 37 . 5 1 1 A 3 3 PHE N N 3 122.600 123.576 -0.976 1
1 38 . 5 1 1 A 4 4 SER H H 4 9.930 8.252 1.678 1
1 39 . 5 1 1 A 4 4 SER HA H 4 4.000 4.226 -0.226 1
1 42 . 5 1 1 A 4 4 SER CA C 4 62.800 61.853 0.947 1
1 43 . 5 1 1 A 4 4 SER CB C 4 62.600 62.710 -0.110 1
1 44 . 5 1 1 A 4 4 SER N N 4 116.300 116.438 -0.138 1
1 45 . 5 1 1 A 5 5 GLU H H 5 7.980 7.354 0.626 1
1 46 . 5 1 1 A 5 5 GLU HA H 5 3.990 4.022 -0.032 1
1 51 . 5 1 1 A 5 5 GLU CA C 5 58.800 58.969 -0.169 1
1 52 . 5 1 1 A 5 5 GLU CB C 5 29.700 29.790 -0.090 1
1 54 . 5 1 1 A 5 5 GLU N N 5 122.800 121.359 1.441 1
1 55 . 5 1 1 A 6 6 CYS H H 6 8.430 7.901 0.529 1
1 56 . 5 1 1 A 6 6 CYS HA H 6 4.120 4.201 -0.081 1
1 59 . 5 1 1 A 6 6 CYS CA C 6 63.300 61.983 1.317 1
1 60 . 5 1 1 A 6 6 CYS CB C 6 27.100 26.598 0.502 1
1 61 . 5 1 1 A 6 6 CYS N N 6 120.100 119.531 0.569 1
1 62 . 5 1 1 A 7 7 ALA H H 7 8.770 8.274 0.496 1
1 63 . 5 1 1 A 7 7 ALA HA H 7 3.790 3.913 -0.123 1
1 67 . 5 1 1 A 7 7 ALA CA C 7 55.200 54.956 0.244 1
1 68 . 5 1 1 A 7 7 ALA CB C 7 17.400 17.941 -0.541 1
1 69 . 5 1 1 A 7 7 ALA N N 7 120.400 122.403 -2.003 1
1 70 . 5 1 1 A 8 8 ALA H H 8 7.800 8.034 -0.234 1
1 71 . 5 1 1 A 8 8 ALA HA H 8 4.130 4.173 -0.043 1
1 75 . 5 1 1 A 8 8 ALA CA C 8 55.200 55.139 0.061 1
1 76 . 5 1 1 A 8 8 ALA CB C 8 17.700 17.889 -0.189 1
1 77 . 5 1 1 A 8 8 ALA N N 8 119.200 120.985 -1.785 1
1 78 . 5 1 1 A 9 9 LEU H H 9 8.120 8.040 0.080 1
1 79 . 5 1 1 A 9 9 LEU HA H 9 4.080 3.919 0.161 1
1 89 . 5 1 1 A 9 9 LEU CA C 9 57.700 57.805 -0.105 1
1 90 . 5 1 1 A 9 9 LEU CB C 9 42.000 42.387 -0.387 1
1 94 . 5 1 1 A 9 9 LEU N N 9 120.300 119.109 1.191 1
1 95 . 5 1 1 A 10 10 TYR H H 10 8.700 8.274 0.426 1
1 96 . 5 1 1 A 10 10 TYR HA H 10 2.330 3.180 -0.850 1
1 103 . 5 1 1 A 10 10 TYR CA C 10 62.000 61.101 0.899 1
1 104 . 5 1 1 A 10 10 TYR CB C 10 38.100 38.259 -0.159 1
1 107 . 5 1 1 A 10 10 TYR N N 10 122.900 118.331 4.569 1
1 108 . 5 1 1 A 11 11 ILE H H 11 8.600 8.598 0.002 1
1 109 . 5 1 1 A 11 11 ILE HA H 11 3.270 3.743 -0.473 1
1 119 . 5 1 1 A 11 11 ILE CA C 11 65.600 65.189 0.411 1
1 120 . 5 1 1 A 11 11 ILE CB C 11 38.200 37.933 0.267 1
1 124 . 5 1 1 A 11 11 ILE N N 11 123.900 121.246 2.654 1
1 125 . 5 1 1 A 12 12 LYS H H 12 7.910 8.334 -0.424 1
1 126 . 5 1 1 A 12 12 LYS HA H 12 3.870 3.995 -0.125 1
1 135 . 5 1 1 A 12 12 LYS CA C 12 59.900 59.172 0.728 1
1 136 . 5 1 1 A 12 12 LYS CB C 12 32.600 32.219 0.381 1
1 140 . 5 1 1 A 12 12 LYS N N 12 120.600 119.263 1.337 1
1 141 . 5 1 1 A 13 13 ALA H H 13 7.790 7.872 -0.082 1
1 142 . 5 1 1 A 13 13 ALA HA H 13 4.100 3.858 0.242 1
1 146 . 5 1 1 A 13 13 ALA CA C 13 53.200 54.081 -0.881 1
1 147 . 5 1 1 A 13 13 ALA CB C 13 18.200 18.003 0.197 1
1 148 . 5 1 1 A 13 13 ALA N N 13 118.100 120.332 -2.232 1
1 149 . 5 1 1 A 14 14 HIS H H 14 7.160 7.186 -0.026 1
1 150 . 5 1 1 A 14 14 HIS HA H 14 3.990 4.351 -0.361 1
1 155 . 5 1 1 A 14 14 HIS CA C 14 56.500 54.493 2.007 1
1 156 . 5 1 1 A 14 14 HIS CB C 14 27.000 28.788 -1.788 1
1 159 . 5 1 1 A 14 14 HIS N N 14 113.200 114.901 -1.701 1
1 160 . 5 1 1 A 15 15 ARG H H 15 7.420 7.301 0.119 1
1 161 . 5 1 1 A 15 15 ARG HA H 15 3.760 3.625 0.135 1
1 168 . 5 1 1 A 15 15 ARG CA C 15 59.800 59.842 -0.042 1
1 169 . 5 1 1 A 15 15 ARG CB C 15 29.800 30.151 -0.351 1
1 172 . 5 1 1 A 15 15 ARG N N 15 121.100 121.199 -0.099 1
1 173 . 5 1 1 A 16 16 SER H H 16 8.540 7.902 0.638 1
1 174 . 5 1 1 A 16 16 SER HA H 16 4.230 4.333 -0.103 1
1 177 . 5 1 1 A 16 16 SER CA C 16 60.800 61.047 -0.247 1
1 178 . 5 1 1 A 16 16 SER CB C 16 62.200 63.238 -1.038 1
1 179 . 5 1 1 A 16 16 SER N N 16 114.100 117.369 -3.269 1
1 180 . 5 1 1 A 17 17 SER H H 17 7.680 7.854 -0.174 1
1 181 . 5 1 1 A 17 17 SER HA H 17 4.370 4.149 0.221 1
1 184 . 5 1 1 A 17 17 SER CA C 17 59.800 61.756 -1.956 1
1 185 . 5 1 1 A 17 17 SER CB C 17 63.100 63.024 0.076 1
1 186 . 5 1 1 A 17 17 SER N N 17 116.700 117.961 -1.261 1
1 187 . 5 1 1 A 18 18 TRP H H 18 7.640 7.359 0.281 1
1 188 . 5 1 1 A 18 18 TRP HA H 18 4.990 4.767 0.223 1
1 197 . 5 1 1 A 18 18 TRP CA C 18 55.200 56.646 -1.446 1
1 198 . 5 1 1 A 18 18 TRP CB C 18 29.500 29.408 0.092 1
1 204 . 5 1 1 A 18 18 TRP N N 18 121.200 118.382 2.818 1
1 206 . 5 1 1 A 19 19 LYS H H 19 7.920 8.228 -0.308 1
1 207 . 5 1 1 A 19 19 LYS HA H 19 4.180 4.466 -0.286 1
1 216 . 5 1 1 A 19 19 LYS CA C 19 58.100 57.727 0.373 1
1 217 . 5 1 1 A 19 19 LYS CB C 19 32.200 31.410 0.790 1
1 221 . 5 1 1 A 19 19 LYS N N 19 121.100 116.688 4.412 1
1 222 . 5 1 1 A 20 20 ASN H H 20 8.630 8.924 -0.294 1
1 223 . 5 1 1 A 20 20 ASN HA H 20 4.760 4.327 0.433 1
1 228 . 5 1 1 A 20 20 ASN CA C 20 53.600 54.972 -1.372 1
1 229 . 5 1 1 A 20 20 ASN CB C 20 38.200 37.328 0.872 1
1 230 . 5 1 1 A 20 20 ASN N N 20 116.500 116.734 -0.234 1
1 232 . 5 1 1 A 21 21 THR H H 21 8.320 7.431 0.889 1
1 233 . 5 1 1 A 21 21 THR HA H 21 4.470 4.563 -0.093 1
1 238 . 5 1 1 A 21 21 THR CA C 21 62.500 60.631 1.869 1
1 239 . 5 1 1 A 21 21 THR CB C 21 70.700 71.178 -0.478 1
1 241 . 5 1 1 A 21 21 THR N N 21 113.700 108.843 4.857 1
1 242 . 5 1 1 A 22 22 LYS H H 22 8.440 8.790 -0.350 1
1 243 . 5 1 1 A 22 22 LYS HA H 22 4.500 4.367 0.133 1
1 252 . 5 1 1 A 22 22 LYS CA C 22 56.700 57.699 -0.999 1
1 253 . 5 1 1 A 22 22 LYS CB C 22 31.700 31.781 -0.081 1
1 257 . 5 1 1 A 22 22 LYS N N 22 120.900 119.067 1.833 1
1 258 . 5 1 1 A 23 23 HIS H H 23 8.110 7.592 0.518 1
1 259 . 5 1 1 A 23 23 HIS HA H 23 4.450 4.436 0.014 1
1 264 . 5 1 1 A 23 23 HIS CA C 23 57.300 59.870 -2.570 1
1 265 . 5 1 1 A 23 23 HIS CB C 23 27.900 29.482 -1.582 1
1 268 . 5 1 1 A 23 23 HIS N N 23 116.800 119.309 -2.509 1
1 269 . 5 1 1 A 24 24 ALA H H 24 8.490 8.515 -0.025 1
1 270 . 5 1 1 A 24 24 ALA HA H 24 4.000 4.205 -0.205 1
1 274 . 5 1 1 A 24 24 ALA CA C 24 55.700 55.370 0.330 1
1 275 . 5 1 1 A 24 24 ALA CB C 24 18.000 17.950 0.050 1
1 276 . 5 1 1 A 24 24 ALA N N 24 121.700 122.633 -0.933 1
1 277 . 5 1 1 A 25 25 ASP H H 25 8.370 8.311 0.059 1
1 278 . 5 1 1 A 25 25 ASP HA H 25 4.450 4.422 0.028 1
1 281 . 5 1 1 A 25 25 ASP CA C 25 56.800 57.725 -0.925 1
1 282 . 5 1 1 A 25 25 ASP CB C 25 40.200 41.690 -1.490 1
1 283 . 5 1 1 A 25 25 ASP N N 25 119.100 118.654 0.446 1
1 284 . 5 1 1 A 26 26 GLN H H 26 8.020 8.357 -0.337 1
1 285 . 5 1 1 A 26 26 GLN HA H 26 4.250 4.079 0.171 1
1 292 . 5 1 1 A 26 26 GLN CA C 26 58.600 59.294 -0.694 1
1 293 . 5 1 1 A 26 26 GLN CB C 26 28.500 28.061 0.439 1
1 295 . 5 1 1 A 26 26 GLN N N 26 119.500 117.309 2.191 1
1 297 . 5 1 1 A 27 27 TRP H H 27 8.610 8.366 0.244 1
1 298 . 5 1 1 A 27 27 TRP HA H 27 3.840 4.434 -0.594 1
1 307 . 5 1 1 A 27 27 TRP CA C 27 62.400 60.013 2.387 1
1 308 . 5 1 1 A 27 27 TRP CB C 27 28.300 29.127 -0.827 1
1 314 . 5 1 1 A 27 27 TRP N N 27 122.000 121.694 0.306 1
1 316 . 5 1 1 A 28 28 THR H H 28 8.460 8.317 0.143 1
1 317 . 5 1 1 A 28 28 THR HA H 28 3.790 4.217 -0.427 1
1 322 . 5 1 1 A 28 28 THR CA C 28 67.000 67.036 -0.036 1
1 323 . 5 1 1 A 28 28 THR CB C 28 68.900 68.477 0.423 1
1 325 . 5 1 1 A 28 28 THR N N 28 114.800 115.083 -0.283 1
1 326 . 5 1 1 A 29 29 ASN H H 29 8.650 9.026 -0.376 1
1 327 . 5 1 1 A 29 29 ASN HA H 29 4.530 4.433 0.097 1
1 332 . 5 1 1 A 29 29 ASN CA C 29 56.600 56.451 0.149 1
1 333 . 5 1 1 A 29 29 ASN CB C 29 38.400 39.385 -0.985 1
1 334 . 5 1 1 A 29 29 ASN N N 29 118.500 119.686 -1.186 1
1 336 . 5 1 1 A 30 30 THR H H 30 8.170 7.616 0.554 1
1 337 . 5 1 1 A 30 30 THR HA H 30 4.160 4.142 0.018 1
1 342 . 5 1 1 A 30 30 THR CA C 30 66.100 67.400 -1.300 1
1 343 . 5 1 1 A 30 30 THR CB C 30 69.300 68.600 0.700 1
1 345 . 5 1 1 A 30 30 THR N N 30 113.100 115.876 -2.776 1
1 346 . 5 1 1 A 31 31 ILE H H 31 8.030 7.558 0.472 1
1 347 . 5 1 1 A 31 31 ILE HA H 31 3.850 3.689 0.161 1
1 357 . 5 1 1 A 31 31 ILE CA C 31 65.200 65.522 -0.322 1
1 358 . 5 1 1 A 31 31 ILE CB C 31 36.300 37.537 -1.237 1
1 362 . 5 1 1 A 31 31 ILE N N 31 122.000 121.717 0.283 1
1 363 . 5 1 1 A 32 32 LYS H H 32 8.320 8.714 -0.394 1
1 364 . 5 1 1 A 32 32 LYS HA H 32 4.090 3.999 0.091 1
1 373 . 5 1 1 A 32 32 LYS CA C 32 60.500 59.638 0.862 1
1 374 . 5 1 1 A 32 32 LYS CB C 32 32.500 32.164 0.336 1
1 378 . 5 1 1 A 32 32 LYS N N 32 121.300 121.536 -0.236 1
1 379 . 5 1 1 A 33 33 THR H H 33 8.160 7.858 0.302 1
1 380 . 5 1 1 A 33 33 THR HA H 33 3.690 3.987 -0.297 1
1 385 . 5 1 1 A 33 33 THR CA C 33 66.500 66.328 0.172 1
1 386 . 5 1 1 A 33 33 THR CB C 33 69.200 69.148 0.052 1
1 388 . 5 1 1 A 33 33 THR N N 33 113.400 116.511 -3.111 1
1 389 . 5 1 1 A 34 34 TYR H H 34 7.640 8.543 -0.903 1
1 390 . 5 1 1 A 34 34 TYR HA H 34 4.670 4.380 0.290 1
1 397 . 5 1 1 A 34 34 TYR CA C 34 59.800 60.608 -0.808 1
1 398 . 5 1 1 A 34 34 TYR CB C 34 39.800 39.052 0.748 1
1 401 . 5 1 1 A 34 34 TYR N N 34 113.700 118.842 -5.142 1
1 402 . 5 1 1 A 35 35 CYS H H 35 8.170 8.293 -0.123 1
1 403 . 5 1 1 A 35 35 CYS HA H 35 4.470 4.308 0.162 1
1 406 . 5 1 1 A 35 35 CYS CA C 35 60.700 62.491 -1.791 1
1 407 . 5 1 1 A 35 35 CYS CB C 35 27.700 26.942 0.758 1
1 408 . 5 1 1 A 35 35 CYS N N 35 113.100 118.408 -5.308 1
1 409 . 5 1 1 A 36 36 GLY H H 36 8.110 7.890 0.220 1
1 410 . 5 1 1 A 36 36 GLY HA2 H 36 3.880 3.834 0.046 1
1 411 . 5 1 1 A 36 36 GLY HA3 H 36 4.480 3.872 0.608 1
1 412 . 5 1 1 A 36 36 GLY CA C 36 49.400 48.292 1.108 1
1 413 . 5 1 1 A 36 36 GLY N N 36 110.800 109.685 1.115 1
1 414 . 5 1 1 A 37 37 PRO HA H 37 4.470 4.368 0.102 1
1 421 . 5 1 1 A 37 37 PRO CA C 37 64.400 64.878 -0.478 1
1 422 . 5 1 1 A 37 37 PRO CB C 37 32.700 31.367 1.333 1
1 425 . 5 1 1 A 38 38 VAL H H 38 7.270 7.924 -0.654 1
1 426 . 5 1 1 A 38 38 VAL HA H 38 4.190 3.903 0.287 1
1 434 . 5 1 1 A 38 38 VAL CA C 38 63.600 63.782 -0.182 1
1 435 . 5 1 1 A 38 38 VAL CB C 38 34.800 32.440 2.360 1
1 438 . 5 1 1 A 38 38 VAL N N 38 113.900 115.824 -1.924 1
1 439 . 5 1 1 A 39 39 ILE H H 39 7.590 7.780 -0.190 1
1 440 . 5 1 1 A 39 39 ILE HA H 39 4.590 4.434 0.156 1
1 450 . 5 1 1 A 39 39 ILE CA C 39 60.500 60.475 0.025 1
1 451 . 5 1 1 A 39 39 ILE CB C 39 39.500 38.129 1.371 1
1 455 . 5 1 1 A 39 39 ILE N N 39 107.400 114.744 -7.344 1
1 456 . 5 1 1 A 40 40 GLY H H 40 7.670 8.124 -0.454 1
1 457 . 5 1 1 A 40 40 GLY HA2 H 40 4.040 3.916 0.124 1
1 458 . 5 1 1 A 40 40 GLY HA3 H 40 4.430 4.056 0.374 1
1 459 . 5 1 1 A 40 40 GLY CA C 40 49.400 48.263 1.137 1
1 460 . 5 1 1 A 40 40 GLY N N 40 109.200 112.363 -3.163 1
1 461 . 5 1 1 A 41 41 PRO HA H 41 4.770 4.598 0.172 1
1 468 . 5 1 1 A 41 41 PRO CA C 41 63.200 63.838 -0.638 1
1 469 . 5 1 1 A 41 41 PRO CB C 41 31.800 32.424 -0.624 1
1 472 . 5 1 1 A 42 42 LEU H H 42 7.540 7.332 0.208 1
1 473 . 5 1 1 A 42 42 LEU HA H 42 4.320 4.429 -0.109 1
1 483 . 5 1 1 A 42 42 LEU CA C 42 54.000 54.242 -0.242 1
1 484 . 5 1 1 A 42 42 LEU CB C 42 42.000 42.530 -0.530 1
1 488 . 5 1 1 A 42 42 LEU N N 42 119.600 121.449 -1.849 1
1 489 . 5 1 1 A 43 43 SER H H 43 8.880 8.581 0.299 1
1 490 . 5 1 1 A 43 43 SER HA H 43 4.510 4.459 0.051 1
1 493 . 5 1 1 A 43 43 SER CA C 43 58.600 58.686 -0.086 1
1 494 . 5 1 1 A 43 43 SER CB C 43 63.000 63.647 -0.647 1
1 495 . 5 1 1 A 43 43 SER N N 43 116.100 116.787 -0.687 1
1 496 . 5 1 1 A 44 44 VAL H H 44 9.020 8.924 0.096 1
1 497 . 5 1 1 A 44 44 VAL HA H 44 3.920 4.276 -0.356 1
1 505 . 5 1 1 A 44 44 VAL CA C 44 65.900 64.288 1.612 1
1 506 . 5 1 1 A 44 44 VAL CB C 44 32.100 31.894 0.206 1
1 509 . 5 1 1 A 44 44 VAL N N 44 124.400 127.640 -3.240 1
1 510 . 5 1 1 A 45 45 GLN H H 45 8.700 7.947 0.753 1
1 511 . 5 1 1 A 45 45 GLN HA H 45 4.170 4.250 -0.080 1
1 518 . 5 1 1 A 45 45 GLN CA C 45 57.400 58.087 -0.687 1
1 519 . 5 1 1 A 45 45 GLN CB C 45 29.000 28.875 0.125 1
1 521 . 5 1 1 A 45 45 GLN N N 45 120.500 121.361 -0.861 1
1 523 . 5 1 1 A 46 46 ASP H H 46 7.870 7.605 0.265 1
1 524 . 5 1 1 A 46 46 ASP HA H 46 4.720 4.773 -0.053 1
1 527 . 5 1 1 A 46 46 ASP CA C 46 54.400 53.968 0.432 1
1 528 . 5 1 1 A 46 46 ASP CB C 46 40.800 40.975 -0.175 1
1 529 . 5 1 1 A 46 46 ASP N N 46 117.200 117.042 0.158 1
1 530 . 5 1 1 A 47 47 VAL H H 47 6.970 7.547 -0.577 1
1 531 . 5 1 1 A 47 47 VAL HA H 47 3.490 4.082 -0.592 1
1 539 . 5 1 1 A 47 47 VAL CA C 47 65.200 62.222 2.978 1
1 540 . 5 1 1 A 47 47 VAL CB C 47 31.100 31.232 -0.132 1
1 543 . 5 1 1 A 47 47 VAL N N 47 118.500 120.950 -2.450 1
1 544 . 5 1 1 A 48 48 ASP H H 48 7.220 8.702 -1.482 1
1 545 . 5 1 1 A 48 48 ASP HA H 48 4.910 4.885 0.025 1
1 548 . 5 1 1 A 48 48 ASP CA C 48 51.600 53.178 -1.578 1
1 549 . 5 1 1 A 48 48 ASP CB C 48 42.700 41.984 0.716 1
1 550 . 5 1 1 A 48 48 ASP N N 48 128.000 127.996 0.004 1
1 551 . 5 1 1 A 49 49 THR H H 49 8.490 8.902 -0.412 1
1 552 . 5 1 1 A 49 49 THR HA H 49 3.770 3.955 -0.185 1
1 557 . 5 1 1 A 49 49 THR CA C 49 67.300 66.488 0.812 1
1 558 . 5 1 1 A 49 49 THR CB C 49 68.900 68.741 0.159 1
1 560 . 5 1 1 A 49 49 THR N N 49 115.800 116.854 -1.054 1
1 561 . 5 1 1 A 50 50 LYS H H 50 7.860 8.300 -0.440 1
1 562 . 5 1 1 A 50 50 LYS HA H 50 3.860 4.114 -0.254 1
1 571 . 5 1 1 A 50 50 LYS CA C 50 60.000 59.738 0.262 1
1 572 . 5 1 1 A 50 50 LYS CB C 50 31.600 31.776 -0.176 1
1 576 . 5 1 1 A 50 50 LYS N N 50 120.500 122.261 -1.761 1
1 577 . 5 1 1 A 51 51 LEU H H 51 8.190 8.098 0.092 1
1 578 . 5 1 1 A 51 51 LEU HA H 51 4.050 4.064 -0.014 1
1 588 . 5 1 1 A 51 51 LEU CA C 51 57.600 58.178 -0.578 1
1 589 . 5 1 1 A 51 51 LEU CB C 51 42.400 41.701 0.699 1
1 593 . 5 1 1 A 51 51 LEU N N 51 120.600 119.124 1.476 1
1 594 . 5 1 1 A 52 52 ILE H H 52 7.850 7.920 -0.070 1
1 595 . 5 1 1 A 52 52 ILE HA H 52 3.440 3.606 -0.166 1
1 605 . 5 1 1 A 52 52 ILE CA C 52 65.200 64.886 0.314 1
1 606 . 5 1 1 A 52 52 ILE CB C 52 36.700 37.347 -0.647 1
1 610 . 5 1 1 A 52 52 ILE N N 52 118.600 119.973 -1.373 1
1 611 . 5 1 1 A 53 53 MET H H 53 8.540 8.408 0.132 1
1 612 . 5 1 1 A 53 53 MET HA H 53 4.040 4.122 -0.082 1
1 620 . 5 1 1 A 53 53 MET CA C 53 59.000 59.191 -0.191 1
1 621 . 5 1 1 A 53 53 MET CB C 53 31.300 32.324 -1.024 1
1 624 . 5 1 1 A 53 53 MET N N 53 118.600 118.443 0.157 1
1 625 . 5 1 1 A 54 54 LYS H H 54 7.620 7.701 -0.081 1
1 626 . 5 1 1 A 54 54 LYS HA H 54 4.140 4.085 0.055 1
1 635 . 5 1 1 A 54 54 LYS CA C 54 59.200 58.843 0.357 1
1 636 . 5 1 1 A 54 54 LYS CB C 54 32.300 32.642 -0.342 1
1 640 . 5 1 1 A 54 54 LYS N N 54 119.100 119.405 -0.305 1
1 641 . 5 1 1 A 55 55 VAL H H 55 7.560 7.669 -0.109 1
1 642 . 5 1 1 A 55 55 VAL HA H 55 3.670 3.667 0.003 1
1 650 . 5 1 1 A 55 55 VAL CA C 55 65.600 66.142 -0.542 1
1 651 . 5 1 1 A 55 55 VAL CB C 55 31.900 31.786 0.114 1
1 654 . 5 1 1 A 55 55 VAL N N 55 117.200 120.011 -2.811 1
1 655 . 5 1 1 A 56 56 LEU H H 56 7.790 8.120 -0.330 1
1 656 . 5 1 1 A 56 56 LEU HA H 56 3.900 3.955 -0.055 1
1 666 . 5 1 1 A 56 56 LEU CA C 56 56.400 57.254 -0.854 1
1 667 . 5 1 1 A 56 56 LEU CB C 56 42.700 41.952 0.748 1
1 671 . 5 1 1 A 56 56 LEU N N 56 114.400 118.700 -4.300 1
1 672 . 5 1 1 A 57 57 ASP H H 57 8.850 8.083 0.767 1
1 673 . 5 1 1 A 57 57 ASP HA H 57 4.140 4.565 -0.425 1
1 676 . 5 1 1 A 57 57 ASP CA C 57 59.100 59.382 -0.282 1
1 677 . 5 1 1 A 57 57 ASP CB C 57 38.200 38.341 -0.141 1
1 678 . 5 1 1 A 57 57 ASP N N 57 120.500 121.450 -0.950 1
1 679 . 5 1 1 A 58 58 PRO HA H 58 4.520 4.455 0.065 1
1 686 . 5 1 1 A 58 58 PRO CA C 58 65.300 64.822 0.478 1
1 687 . 5 1 1 A 58 58 PRO CB C 58 31.700 31.483 0.217 1
1 690 . 5 1 1 A 59 59 ILE H H 59 7.400 7.418 -0.018 1
1 691 . 5 1 1 A 59 59 ILE HA H 59 4.060 3.831 0.229 1
1 701 . 5 1 1 A 59 59 ILE CA C 59 62.300 63.605 -1.305 1
1 702 . 5 1 1 A 59 59 ILE CB C 59 39.300 36.344 2.956 1
1 706 . 5 1 1 A 59 59 ILE N N 59 113.300 116.311 -3.011 1
1 707 . 5 1 1 A 60 60 TRP H H 60 8.000 7.443 0.557 1
1 708 . 5 1 1 A 60 60 TRP HA H 60 3.830 4.401 -0.571 1
1 717 . 5 1 1 A 60 60 TRP CA C 60 61.300 60.848 0.452 1
1 718 . 5 1 1 A 60 60 TRP CB C 60 29.700 28.270 1.430 1
1 724 . 5 1 1 A 60 60 TRP N N 60 120.900 121.660 -0.760 1
1 726 . 5 1 1 A 61 61 GLU H H 61 7.840 8.183 -0.343 1
1 727 . 5 1 1 A 61 61 GLU HA H 61 4.110 4.281 -0.171 1
1 732 . 5 1 1 A 61 61 GLU CA C 61 58.100 58.628 -0.528 1
1 733 . 5 1 1 A 61 61 GLU CB C 61 29.500 29.796 -0.296 1
1 735 . 5 1 1 A 61 61 GLU N N 61 112.300 120.667 -8.367 1
1 736 . 5 1 1 A 62 62 GLN H H 62 7.710 7.796 -0.086 1
1 737 . 5 1 1 A 62 62 GLN HA H 62 4.400 4.432 -0.032 1
1 744 . 5 1 1 A 62 62 GLN CA C 62 57.200 57.229 -0.029 1
1 745 . 5 1 1 A 62 62 GLN CB C 62 30.800 30.219 0.581 1
1 747 . 5 1 1 A 62 62 GLN N N 62 115.200 116.821 -1.621 1
1 749 . 5 1 1 A 63 63 LYS H H 63 8.500 7.941 0.559 1
1 750 . 5 1 1 A 63 63 LYS HA H 63 4.860 4.740 0.120 1
1 759 . 5 1 1 A 63 63 LYS CA C 63 53.300 53.715 -0.415 1
1 760 . 5 1 1 A 63 63 LYS CB C 63 33.800 32.762 1.038 1
1 764 . 5 1 1 A 63 63 LYS N N 63 117.800 118.841 -1.041 1
1 765 . 5 1 1 A 64 64 PRO HA H 64 4.110 4.215 -0.105 1
1 772 . 5 1 1 A 64 64 PRO CA C 64 66.000 65.635 0.365 1
1 773 . 5 1 1 A 64 64 PRO CB C 64 31.500 31.796 -0.296 1
1 776 . 5 1 1 A 65 65 GLU H H 65 8.680 8.489 0.191 1
1 777 . 5 1 1 A 65 65 GLU HA H 65 4.120 4.051 0.069 1
1 782 . 5 1 1 A 65 65 GLU CA C 65 59.300 59.490 -0.190 1
1 783 . 5 1 1 A 65 65 GLU CB C 65 28.500 29.042 -0.542 1
1 785 . 5 1 1 A 65 65 GLU N N 65 117.800 118.161 -0.361 1
1 786 . 5 1 1 A 66 66 THR H H 66 7.370 7.912 -0.542 1
1 787 . 5 1 1 A 66 66 THR HA H 66 3.820 3.714 0.106 1
1 792 . 5 1 1 A 66 66 THR CA C 66 66.200 66.407 -0.207 1
1 793 . 5 1 1 A 66 66 THR CB C 66 68.200 68.261 -0.061 1
1 795 . 5 1 1 A 66 66 THR N N 66 117.800 117.731 0.069 1
1 796 . 5 1 1 A 67 67 ALA H H 67 7.890 7.905 -0.015 1
1 797 . 5 1 1 A 67 67 ALA HA H 67 3.380 3.607 -0.227 1
1 801 . 5 1 1 A 67 67 ALA CA C 67 55.200 55.056 0.144 1
1 802 . 5 1 1 A 67 67 ALA CB C 67 17.400 17.587 -0.187 1
1 803 . 5 1 1 A 67 67 ALA N N 67 123.900 123.545 0.355 1
1 804 . 5 1 1 A 68 68 SER H H 68 7.920 7.661 0.259 1
1 805 . 5 1 1 A 68 68 SER HA H 68 4.070 4.134 -0.064 1
1 808 . 5 1 1 A 68 68 SER CA C 68 61.200 61.389 -0.189 1
1 809 . 5 1 1 A 68 68 SER CB C 68 62.700 62.454 0.246 1
1 810 . 5 1 1 A 68 68 SER N N 68 111.500 112.857 -1.357 1
1 811 . 5 1 1 A 69 69 ARG H H 69 7.840 7.294 0.546 1
1 812 . 5 1 1 A 69 69 ARG HA H 69 4.010 4.031 -0.021 1
1 819 . 5 1 1 A 69 69 ARG CA C 69 58.700 58.698 0.002 1
1 820 . 5 1 1 A 69 69 ARG CB C 69 30.000 29.437 0.563 1
1 823 . 5 1 1 A 69 69 ARG N N 69 121.200 122.213 -1.013 1
1 824 . 5 1 1 A 70 70 LEU H H 70 8.490 8.477 0.013 1
1 825 . 5 1 1 A 70 70 LEU HA H 70 3.740 3.903 -0.163 1
1 835 . 5 1 1 A 70 70 LEU CA C 70 57.500 57.510 -0.010 1
1 836 . 5 1 1 A 70 70 LEU CB C 70 41.100 41.801 -0.701 1
1 840 . 5 1 1 A 70 70 LEU N N 70 121.100 121.463 -0.363 1
1 841 . 5 1 1 A 71 71 ARG H H 71 8.460 8.079 0.381 1
1 842 . 5 1 1 A 71 71 ARG HA H 71 3.540 3.864 -0.324 1
1 850 . 5 1 1 A 71 71 ARG CA C 71 60.700 59.716 0.984 1
1 851 . 5 1 1 A 71 71 ARG CB C 71 28.000 29.697 -1.697 1
1 854 . 5 1 1 A 71 71 ARG N N 71 119.800 119.137 0.663 1
1 856 . 5 1 1 A 72 72 GLY H H 72 7.530 7.990 -0.460 1
1 857 . 5 1 1 A 72 72 GLY HA2 H 72 3.980 3.709 0.271 1
1 858 . 5 1 1 A 72 72 GLY HA3 H 72 3.870 3.743 0.127 1
1 859 . 5 1 1 A 72 72 GLY CA C 72 47.100 47.378 -0.278 1
1 860 . 5 1 1 A 72 72 GLY N N 72 103.400 106.980 -3.580 1
1 861 . 5 1 1 A 73 73 ARG H H 73 7.800 7.596 0.204 1
1 862 . 5 1 1 A 73 73 ARG HA H 73 3.930 3.943 -0.013 1
1 869 . 5 1 1 A 73 73 ARG CA C 73 59.400 59.308 0.092 1
1 870 . 5 1 1 A 73 73 ARG CB C 73 29.500 29.811 -0.311 1
1 873 . 5 1 1 A 73 73 ARG N N 73 122.800 121.440 1.360 1
1 874 . 5 1 1 A 74 74 ILE H H 74 8.420 8.151 0.269 1
1 875 . 5 1 1 A 74 74 ILE HA H 74 3.440 3.718 -0.278 1
1 885 . 5 1 1 A 74 74 ILE CA C 74 66.500 65.658 0.842 1
1 886 . 5 1 1 A 74 74 ILE CB C 74 38.300 37.851 0.449 1
1 890 . 5 1 1 A 74 74 ILE N N 74 118.800 121.061 -2.261 1
1 891 . 5 1 1 A 75 75 GLU H H 75 8.620 8.966 -0.346 1
1 892 . 5 1 1 A 75 75 GLU HA H 75 3.840 3.994 -0.154 1
1 897 . 5 1 1 A 75 75 GLU CA C 75 59.900 59.795 0.105 1
1 898 . 5 1 1 A 75 75 GLU CB C 75 29.400 29.524 -0.124 1
1 900 . 5 1 1 A 75 75 GLU N N 75 119.200 121.570 -2.370 1
1 901 . 5 1 1 A 76 76 SER H H 76 8.380 7.824 0.556 1
1 902 . 5 1 1 A 76 76 SER HA H 76 4.460 4.192 0.268 1
1 905 . 5 1 1 A 76 76 SER CA C 76 62.900 62.594 0.306 1
1 906 . 5 1 1 A 76 76 SER CB C 76 63.000 63.129 -0.129 1
1 907 . 5 1 1 A 76 76 SER N N 76 116.000 117.008 -1.008 1
1 908 . 5 1 1 A 77 77 VAL H H 77 8.190 8.031 0.159 1
1 909 . 5 1 1 A 77 77 VAL HA H 77 3.290 2.886 0.404 1
1 917 . 5 1 1 A 77 77 VAL CA C 77 66.800 66.585 0.215 1
1 918 . 5 1 1 A 77 77 VAL CB C 77 31.400 31.408 -0.008 1
1 921 . 5 1 1 A 77 77 VAL N N 77 122.800 121.847 0.953 1
1 922 . 5 1 1 A 78 78 LEU H H 78 8.590 8.512 0.078 1
1 923 . 5 1 1 A 78 78 LEU HA H 78 4.270 4.070 0.200 1
1 933 . 5 1 1 A 78 78 LEU CA C 78 57.800 58.312 -0.512 1
1 934 . 5 1 1 A 78 78 LEU CB C 78 40.900 41.006 -0.106 1
1 938 . 5 1 1 A 78 78 LEU N N 78 116.900 118.599 -1.699 1
1 939 . 5 1 1 A 79 79 ASP H H 79 8.790 8.631 0.159 1
1 940 . 5 1 1 A 79 79 ASP HA H 79 4.730 4.294 0.436 1
1 943 . 5 1 1 A 79 79 ASP CA C 79 57.900 57.396 0.504 1
1 944 . 5 1 1 A 79 79 ASP CB C 79 40.400 41.117 -0.717 1
1 945 . 5 1 1 A 79 79 ASP N N 79 123.800 118.933 4.867 1
1 946 . 5 1 1 A 80 80 TRP H H 80 8.210 8.082 0.128 1
1 947 . 5 1 1 A 80 80 TRP HA H 80 4.380 4.356 0.024 1
1 956 . 5 1 1 A 80 80 TRP CA C 80 61.600 61.447 0.153 1
1 957 . 5 1 1 A 80 80 TRP CB C 80 29.100 29.605 -0.505 1
1 963 . 5 1 1 A 80 80 TRP N N 80 123.700 122.153 1.547 1
1 965 . 5 1 1 A 81 81 ALA H H 81 8.980 8.241 0.739 1
1 966 . 5 1 1 A 81 81 ALA HA H 81 3.850 4.022 -0.172 1
1 970 . 5 1 1 A 81 81 ALA CA C 81 54.500 55.183 -0.683 1
1 971 . 5 1 1 A 81 81 ALA CB C 81 19.600 18.374 1.226 1
1 972 . 5 1 1 A 81 81 ALA N N 81 118.400 120.988 -2.588 1
1 973 . 5 1 1 A 82 82 THR H H 82 7.990 7.958 0.032 1
1 974 . 5 1 1 A 82 82 THR HA H 82 4.310 3.980 0.330 1
1 979 . 5 1 1 A 82 82 THR CA C 82 65.800 66.740 -0.940 1
1 980 . 5 1 1 A 82 82 THR CB C 82 68.800 67.898 0.902 1
1 982 . 5 1 1 A 82 82 THR N N 82 116.400 114.989 1.411 1
1 983 . 5 1 1 A 83 83 VAL H H 83 7.970 7.858 0.112 1
1 984 . 5 1 1 A 83 83 VAL HA H 83 3.720 3.487 0.233 1
1 992 . 5 1 1 A 83 83 VAL CA C 83 65.900 66.879 -0.979 1
1 993 . 5 1 1 A 83 83 VAL CB C 83 31.400 31.422 -0.022 1
1 996 . 5 1 1 A 83 83 VAL N N 83 123.700 121.522 2.178 1
1 997 . 5 1 1 A 84 84 ARG H H 84 7.300 7.441 -0.141 1
1 998 . 5 1 1 A 84 84 ARG HA H 84 3.740 3.775 -0.035 1
1 1005 . 5 1 1 A 84 84 ARG CA C 84 55.300 55.927 -0.627 1
1 1006 . 5 1 1 A 84 84 ARG CB C 84 29.400 29.484 -0.084 1
1 1009 . 5 1 1 A 84 84 ARG N N 84 115.400 118.101 -2.701 1
1 1010 . 5 1 1 A 85 85 GLY H H 85 7.510 7.347 0.163 1
1 1011 . 5 1 1 A 85 85 GLY HA2 H 85 4.010 3.800 0.210 1
1 1012 . 5 1 1 A 85 85 GLY HA3 H 85 3.830 3.857 -0.027 1
1 1013 . 5 1 1 A 85 85 GLY CA C 85 45.400 45.783 -0.383 1
1 1014 . 5 1 1 A 85 85 GLY N N 85 105.600 107.518 -1.918 1
1 1015 . 5 1 1 A 86 86 TYR H H 86 8.120 8.177 -0.057 1
1 1016 . 5 1 1 A 86 86 TYR HA H 86 4.740 4.548 0.192 1
1 1023 . 5 1 1 A 86 86 TYR CA C 86 55.800 58.652 -2.852 1
1 1024 . 5 1 1 A 86 86 TYR CB C 86 38.000 39.051 -1.051 1
1 1027 . 5 1 1 A 86 86 TYR N N 86 118.700 117.794 0.906 1
1 1028 . 5 1 1 A 87 87 ARG H H 87 7.500 7.713 -0.213 1
1 1029 . 5 1 1 A 87 87 ARG HA H 87 4.710 4.621 0.089 1
1 1037 . 5 1 1 A 87 87 ARG CA C 87 54.100 54.566 -0.466 1
1 1038 . 5 1 1 A 87 87 ARG CB C 87 31.900 31.921 -0.021 1
1 1041 . 5 1 1 A 87 87 ARG N N 87 111.200 116.983 -5.783 1
1 1043 . 5 1 1 A 88 88 GLU H H 88 9.190 8.684 0.506 1
1 1044 . 5 1 1 A 88 88 GLU HA H 88 4.760 4.395 0.365 1
1 1049 . 5 1 1 A 88 88 GLU CA C 88 54.800 56.548 -1.748 1
1 1050 . 5 1 1 A 88 88 GLU CB C 88 32.500 30.783 1.717 1
1 1052 . 5 1 1 A 88 88 GLU N N 88 118.800 121.401 -2.601 1
1 1053 . 5 1 1 A 89 89 GLY H H 89 8.580 8.565 0.015 1
1 1054 . 5 1 1 A 89 89 GLY HA2 H 89 3.850 3.943 -0.093 1
1 1055 . 5 1 1 A 89 89 GLY HA3 H 89 4.500 3.946 0.554 1
1 1056 . 5 1 1 A 89 89 GLY CA C 89 43.700 44.641 -0.941 1
1 1057 . 5 1 1 A 89 89 GLY N N 89 107.900 112.105 -4.205 1
1 1058 . 5 1 1 A 90 90 ASP H H 90 8.630 8.827 -0.197 1
1 1059 . 5 1 1 A 90 90 ASP HA H 90 4.480 4.704 -0.224 1
1 1062 . 5 1 1 A 90 90 ASP CA C 90 54.600 54.311 0.289 1
1 1063 . 5 1 1 A 90 90 ASP CB C 90 40.500 40.070 0.430 1
1 1064 . 5 1 1 A 90 90 ASP N N 90 120.700 120.358 0.342 1
1 1065 . 5 1 1 A 91 91 ASN H H 91 8.930 8.486 0.444 1
1 1066 . 5 1 1 A 91 91 ASN HA H 91 4.580 5.120 -0.540 1
1 1071 . 5 1 1 A 91 91 ASN CA C 91 51.100 50.182 0.918 1
1 1072 . 5 1 1 A 91 91 ASN CB C 91 39.100 39.284 -0.184 1
1 1073 . 5 1 1 A 91 91 ASN N N 91 122.700 121.542 1.158 1
1 1075 . 5 1 1 A 92 92 PRO HA H 92 4.490 4.126 0.364 1
1 1082 . 5 1 1 A 92 92 PRO CA C 92 63.500 64.059 -0.559 1
1 1083 . 5 1 1 A 92 92 PRO CB C 92 32.300 31.806 0.494 1
1 1086 . 5 1 1 A 93 93 ALA H H 93 8.610 7.525 1.085 1
1 1087 . 5 1 1 A 93 93 ALA HA H 93 4.450 3.806 0.644 1
1 1091 . 5 1 1 A 93 93 ALA CA C 93 52.000 53.501 -1.501 1
1 1092 . 5 1 1 A 93 93 ALA CB C 93 18.100 18.562 -0.462 1
1 1093 . 5 1 1 A 93 93 ALA N N 93 120.500 118.295 2.205 1
1 1094 . 5 1 1 A 94 94 ARG H H 94 7.280 7.775 -0.495 1
1 1095 . 5 1 1 A 94 94 ARG HA H 94 3.830 4.535 -0.705 1
1 1102 . 5 1 1 A 94 94 ARG CA C 94 55.500 55.197 0.303 1
1 1103 . 5 1 1 A 94 94 ARG CB C 94 30.500 31.509 -1.009 1
1 1106 . 5 1 1 A 94 94 ARG N N 94 118.100 118.210 -0.110 1
1 1107 . 5 1 1 A 95 95 TRP H H 95 7.310 8.751 -1.441 1
1 1108 . 5 1 1 A 95 95 TRP HA H 95 4.610 4.925 -0.315 1
1 1117 . 5 1 1 A 95 95 TRP CA C 95 55.200 58.128 -2.928 1
1 1118 . 5 1 1 A 95 95 TRP CB C 95 29.500 31.056 -1.556 1
1 1124 . 5 1 1 A 95 95 TRP N N 95 121.200 126.458 -5.258 1
1 1126 . 5 1 1 A 96 96 ARG H H 96 8.380 8.374 0.006 1
1 1127 . 5 1 1 A 96 96 ARG HA H 96 4.140 4.368 -0.228 1
1 1134 . 5 1 1 A 96 96 ARG CA C 96 57.200 58.399 -1.199 1
1 1135 . 5 1 1 A 96 96 ARG CB C 96 29.900 30.211 -0.311 1
1 1138 . 5 1 1 A 96 96 ARG N N 96 122.100 119.971 2.129 1
1 1139 . 5 1 1 A 97 97 GLY H H 97 7.920 9.196 -1.276 1
1 1140 . 5 1 1 A 97 97 GLY HA2 H 97 3.710 3.956 -0.246 1
1 1141 . 5 1 1 A 97 97 GLY HA3 H 97 3.630 3.993 -0.363 1
1 1142 . 5 1 1 A 97 97 GLY CA C 97 45.700 46.605 -0.905 1
1 1143 . 5 1 1 A 97 97 GLY N N 97 110.500 106.238 4.262 1
1 1144 . 5 1 1 A 98 98 TYR H H 98 7.770 7.999 -0.229 1
1 1145 . 5 1 1 A 98 98 TYR HA H 98 4.090 3.871 0.219 1
1 1152 . 5 1 1 A 98 98 TYR CA C 98 59.900 60.792 -0.892 1
1 1153 . 5 1 1 A 98 98 TYR CB C 98 37.100 38.720 -1.620 1
1 1156 . 5 1 1 A 98 98 TYR N N 98 120.400 121.183 -0.783 1
1 1157 . 5 1 1 A 99 99 LEU H H 99 7.820 7.778 0.042 1
1 1158 . 5 1 1 A 99 99 LEU HA H 99 3.890 3.815 0.075 1
1 1168 . 5 1 1 A 99 99 LEU CA C 99 55.600 57.039 -1.439 1
1 1169 . 5 1 1 A 99 99 LEU CB C 99 41.600 41.873 -0.273 1
1 1173 . 5 1 1 A 99 99 LEU N N 99 120.700 119.706 0.994 1
1 1174 . 5 1 1 A 100 100 GLU H H 100 7.680 7.455 0.225 1
1 1175 . 5 1 1 A 100 100 GLU HA H 100 3.900 4.359 -0.459 1
1 1180 . 5 1 1 A 100 100 GLU CA C 100 56.500 57.725 -1.225 1
1 1181 . 5 1 1 A 100 100 GLU CB C 100 29.500 32.093 -2.593 1
1 13 . 6 1 1 A 2 2 THR H H 2 9.230 8.493 0.737 1
1 14 . 6 1 1 A 2 2 THR HA H 2 5.080 5.035 0.045 1
1 19 . 6 1 1 A 2 2 THR CA C 2 61.000 60.466 0.534 1
1 20 . 6 1 1 A 2 2 THR CB C 2 70.800 71.687 -0.887 1
1 22 . 6 1 1 A 2 2 THR N N 2 119.100 116.232 2.868 1
1 23 . 6 1 1 A 3 3 PHE H H 3 9.290 9.376 -0.086 1
1 24 . 6 1 1 A 3 3 PHE HA H 3 3.880 4.131 -0.251 1
1 32 . 6 1 1 A 3 3 PHE CA C 3 63.900 62.310 1.590 1
1 33 . 6 1 1 A 3 3 PHE CB C 3 38.800 39.187 -0.387 1
1 37 . 6 1 1 A 3 3 PHE N N 3 122.600 123.522 -0.922 1
1 38 . 6 1 1 A 4 4 SER H H 4 9.930 8.243 1.687 1
1 39 . 6 1 1 A 4 4 SER HA H 4 4.000 4.096 -0.096 1
1 42 . 6 1 1 A 4 4 SER CA C 4 62.800 62.121 0.679 1
1 43 . 6 1 1 A 4 4 SER CB C 4 62.600 62.801 -0.201 1
1 44 . 6 1 1 A 4 4 SER N N 4 116.300 116.435 -0.135 1
1 45 . 6 1 1 A 5 5 GLU H H 5 7.980 7.469 0.511 1
1 46 . 6 1 1 A 5 5 GLU HA H 5 3.990 4.024 -0.034 1
1 51 . 6 1 1 A 5 5 GLU CA C 5 58.800 58.903 -0.103 1
1 52 . 6 1 1 A 5 5 GLU CB C 5 29.700 29.825 -0.125 1
1 54 . 6 1 1 A 5 5 GLU N N 5 122.800 121.404 1.396 1
1 55 . 6 1 1 A 6 6 CYS H H 6 8.430 7.926 0.504 1
1 56 . 6 1 1 A 6 6 CYS HA H 6 4.120 4.091 0.029 1
1 59 . 6 1 1 A 6 6 CYS CA C 6 63.300 61.804 1.496 1
1 60 . 6 1 1 A 6 6 CYS CB C 6 27.100 27.155 -0.055 1
1 61 . 6 1 1 A 6 6 CYS N N 6 120.100 119.445 0.655 1
1 62 . 6 1 1 A 7 7 ALA H H 7 8.770 8.169 0.601 1
1 63 . 6 1 1 A 7 7 ALA HA H 7 3.790 3.907 -0.117 1
1 67 . 6 1 1 A 7 7 ALA CA C 7 55.200 54.853 0.347 1
1 68 . 6 1 1 A 7 7 ALA CB C 7 17.400 17.834 -0.434 1
1 69 . 6 1 1 A 7 7 ALA N N 7 120.400 122.296 -1.896 1
1 70 . 6 1 1 A 8 8 ALA H H 8 7.800 7.940 -0.140 1
1 71 . 6 1 1 A 8 8 ALA HA H 8 4.130 4.117 0.013 1
1 75 . 6 1 1 A 8 8 ALA CA C 8 55.200 54.971 0.229 1
1 76 . 6 1 1 A 8 8 ALA CB C 8 17.700 18.000 -0.300 1
1 77 . 6 1 1 A 8 8 ALA N N 8 119.200 120.662 -1.462 1
1 78 . 6 1 1 A 9 9 LEU H H 9 8.120 8.345 -0.225 1
1 79 . 6 1 1 A 9 9 LEU HA H 9 4.080 3.946 0.134 1
1 89 . 6 1 1 A 9 9 LEU CA C 9 57.700 57.824 -0.124 1
1 90 . 6 1 1 A 9 9 LEU CB C 9 42.000 42.060 -0.060 1
1 94 . 6 1 1 A 9 9 LEU N N 9 120.300 118.619 1.681 1
1 95 . 6 1 1 A 10 10 TYR H H 10 8.700 8.435 0.265 1
1 96 . 6 1 1 A 10 10 TYR HA H 10 2.330 3.047 -0.717 1
1 103 . 6 1 1 A 10 10 TYR CA C 10 62.000 61.048 0.952 1
1 104 . 6 1 1 A 10 10 TYR CB C 10 38.100 38.131 -0.031 1
1 107 . 6 1 1 A 10 10 TYR N N 10 122.900 118.603 4.297 1
1 108 . 6 1 1 A 11 11 ILE H H 11 8.600 8.370 0.230 1
1 109 . 6 1 1 A 11 11 ILE HA H 11 3.270 3.620 -0.350 1
1 119 . 6 1 1 A 11 11 ILE CA C 11 65.600 65.085 0.515 1
1 120 . 6 1 1 A 11 11 ILE CB C 11 38.200 37.948 0.252 1
1 124 . 6 1 1 A 11 11 ILE N N 11 123.900 121.133 2.767 1
1 125 . 6 1 1 A 12 12 LYS H H 12 7.910 8.477 -0.567 1
1 126 . 6 1 1 A 12 12 LYS HA H 12 3.870 4.064 -0.194 1
1 135 . 6 1 1 A 12 12 LYS CA C 12 59.900 59.280 0.620 1
1 136 . 6 1 1 A 12 12 LYS CB C 12 32.600 32.185 0.415 1
1 140 . 6 1 1 A 12 12 LYS N N 12 120.600 120.038 0.562 1
1 141 . 6 1 1 A 13 13 ALA H H 13 7.790 7.701 0.089 1
1 142 . 6 1 1 A 13 13 ALA HA H 13 4.100 4.061 0.039 1
1 146 . 6 1 1 A 13 13 ALA CA C 13 53.200 53.179 0.021 1
1 147 . 6 1 1 A 13 13 ALA CB C 13 18.200 18.228 -0.028 1
1 148 . 6 1 1 A 13 13 ALA N N 13 118.100 120.471 -2.371 1
1 149 . 6 1 1 A 14 14 HIS H H 14 7.160 7.373 -0.213 1
1 150 . 6 1 1 A 14 14 HIS HA H 14 3.990 4.343 -0.353 1
1 155 . 6 1 1 A 14 14 HIS CA C 14 56.500 54.987 1.513 1
1 156 . 6 1 1 A 14 14 HIS CB C 14 27.000 29.605 -2.605 1
1 159 . 6 1 1 A 14 14 HIS N N 14 113.200 115.457 -2.257 1
1 160 . 6 1 1 A 15 15 ARG H H 15 7.420 8.039 -0.619 1
1 161 . 6 1 1 A 15 15 ARG HA H 15 3.760 4.188 -0.428 1
1 168 . 6 1 1 A 15 15 ARG CA C 15 59.800 58.589 1.211 1
1 169 . 6 1 1 A 15 15 ARG CB C 15 29.800 29.742 0.058 1
1 172 . 6 1 1 A 15 15 ARG N N 15 121.100 119.899 1.201 1
1 173 . 6 1 1 A 16 16 SER H H 16 8.540 7.852 0.688 1
1 174 . 6 1 1 A 16 16 SER HA H 16 4.230 4.172 0.058 1
1 177 . 6 1 1 A 16 16 SER CA C 16 60.800 61.232 -0.432 1
1 178 . 6 1 1 A 16 16 SER CB C 16 62.200 63.110 -0.910 1
1 179 . 6 1 1 A 16 16 SER N N 16 114.100 117.934 -3.834 1
1 180 . 6 1 1 A 17 17 SER H H 17 7.680 7.616 0.064 1
1 181 . 6 1 1 A 17 17 SER HA H 17 4.370 4.361 0.009 1
1 184 . 6 1 1 A 17 17 SER CA C 17 59.800 59.874 -0.074 1
1 185 . 6 1 1 A 17 17 SER CB C 17 63.100 63.280 -0.180 1
1 186 . 6 1 1 A 17 17 SER N N 17 116.700 116.035 0.665 1
1 187 . 6 1 1 A 18 18 TRP H H 18 7.640 7.240 0.400 1
1 188 . 6 1 1 A 18 18 TRP HA H 18 4.990 4.744 0.246 1
1 197 . 6 1 1 A 18 18 TRP CA C 18 55.200 56.610 -1.410 1
1 198 . 6 1 1 A 18 18 TRP CB C 18 29.500 29.383 0.117 1
1 204 . 6 1 1 A 18 18 TRP N N 18 121.200 119.447 1.753 1
1 206 . 6 1 1 A 19 19 LYS H H 19 7.920 8.027 -0.107 1
1 207 . 6 1 1 A 19 19 LYS HA H 19 4.180 4.150 0.030 1
1 216 . 6 1 1 A 19 19 LYS CA C 19 58.100 58.346 -0.246 1
1 217 . 6 1 1 A 19 19 LYS CB C 19 32.200 31.062 1.138 1
1 221 . 6 1 1 A 19 19 LYS N N 19 121.100 116.955 4.145 1
1 222 . 6 1 1 A 20 20 ASN H H 20 8.630 8.693 -0.063 1
1 223 . 6 1 1 A 20 20 ASN HA H 20 4.760 4.661 0.099 1
1 228 . 6 1 1 A 20 20 ASN CA C 20 53.600 53.757 -0.157 1
1 229 . 6 1 1 A 20 20 ASN CB C 20 38.200 36.955 1.245 1
1 230 . 6 1 1 A 20 20 ASN N N 20 116.500 121.047 -4.547 1
1 232 . 6 1 1 A 21 21 THR H H 21 8.320 8.190 0.130 1
1 233 . 6 1 1 A 21 21 THR HA H 21 4.470 5.030 -0.560 1
1 238 . 6 1 1 A 21 21 THR CA C 21 62.500 59.450 3.050 1
1 239 . 6 1 1 A 21 21 THR CB C 21 70.700 72.494 -1.794 1
1 241 . 6 1 1 A 21 21 THR N N 21 113.700 113.083 0.617 1
1 242 . 6 1 1 A 22 22 LYS H H 22 8.440 9.033 -0.593 1
1 243 . 6 1 1 A 22 22 LYS HA H 22 4.500 4.279 0.221 1
1 252 . 6 1 1 A 22 22 LYS CA C 22 56.700 58.191 -1.491 1
1 253 . 6 1 1 A 22 22 LYS CB C 22 31.700 32.086 -0.386 1
1 257 . 6 1 1 A 22 22 LYS N N 22 120.900 120.826 0.074 1
1 258 . 6 1 1 A 23 23 HIS H H 23 8.110 8.029 0.081 1
1 259 . 6 1 1 A 23 23 HIS HA H 23 4.450 4.209 0.241 1
1 264 . 6 1 1 A 23 23 HIS CA C 23 57.300 58.994 -1.694 1
1 265 . 6 1 1 A 23 23 HIS CB C 23 27.900 29.380 -1.480 1
1 268 . 6 1 1 A 23 23 HIS N N 23 116.800 118.261 -1.461 1
1 269 . 6 1 1 A 24 24 ALA H H 24 8.490 8.201 0.289 1
1 270 . 6 1 1 A 24 24 ALA HA H 24 4.000 3.636 0.364 1
1 274 . 6 1 1 A 24 24 ALA CA C 24 55.700 55.139 0.561 1
1 275 . 6 1 1 A 24 24 ALA CB C 24 18.000 18.448 -0.448 1
1 276 . 6 1 1 A 24 24 ALA N N 24 121.700 121.656 0.044 1
1 277 . 6 1 1 A 25 25 ASP H H 25 8.370 8.269 0.101 1
1 278 . 6 1 1 A 25 25 ASP HA H 25 4.450 4.354 0.096 1
1 281 . 6 1 1 A 25 25 ASP CA C 25 56.800 57.419 -0.619 1
1 282 . 6 1 1 A 25 25 ASP CB C 25 40.200 41.253 -1.053 1
1 283 . 6 1 1 A 25 25 ASP N N 25 119.100 118.350 0.750 1
1 284 . 6 1 1 A 26 26 GLN H H 26 8.020 8.497 -0.477 1
1 285 . 6 1 1 A 26 26 GLN HA H 26 4.250 4.018 0.232 1
1 292 . 6 1 1 A 26 26 GLN CA C 26 58.600 59.118 -0.518 1
1 293 . 6 1 1 A 26 26 GLN CB C 26 28.500 28.225 0.275 1
1 295 . 6 1 1 A 26 26 GLN N N 26 119.500 117.426 2.074 1
1 297 . 6 1 1 A 27 27 TRP H H 27 8.610 8.484 0.126 1
1 298 . 6 1 1 A 27 27 TRP HA H 27 3.840 4.394 -0.554 1
1 307 . 6 1 1 A 27 27 TRP CA C 27 62.400 59.397 3.003 1
1 308 . 6 1 1 A 27 27 TRP CB C 27 28.300 29.392 -1.092 1
1 314 . 6 1 1 A 27 27 TRP N N 27 122.000 120.895 1.105 1
1 316 . 6 1 1 A 28 28 THR H H 28 8.460 7.972 0.488 1
1 317 . 6 1 1 A 28 28 THR HA H 28 3.790 4.013 -0.223 1
1 322 . 6 1 1 A 28 28 THR CA C 28 67.000 67.320 -0.320 1
1 323 . 6 1 1 A 28 28 THR CB C 28 68.900 68.693 0.207 1
1 325 . 6 1 1 A 28 28 THR N N 28 114.800 115.301 -0.501 1
1 326 . 6 1 1 A 29 29 ASN H H 29 8.650 8.703 -0.053 1
1 327 . 6 1 1 A 29 29 ASN HA H 29 4.530 4.460 0.070 1
1 332 . 6 1 1 A 29 29 ASN CA C 29 56.600 56.498 0.102 1
1 333 . 6 1 1 A 29 29 ASN CB C 29 38.400 38.366 0.034 1
1 334 . 6 1 1 A 29 29 ASN N N 29 118.500 118.803 -0.303 1
1 336 . 6 1 1 A 30 30 THR H H 30 8.170 7.953 0.217 1
1 337 . 6 1 1 A 30 30 THR HA H 30 4.160 4.116 0.044 1
1 342 . 6 1 1 A 30 30 THR CA C 30 66.100 67.280 -1.180 1
1 343 . 6 1 1 A 30 30 THR CB C 30 69.300 68.464 0.836 1
1 345 . 6 1 1 A 30 30 THR N N 30 113.100 116.180 -3.080 1
1 346 . 6 1 1 A 31 31 ILE H H 31 8.030 7.661 0.369 1
1 347 . 6 1 1 A 31 31 ILE HA H 31 3.850 3.669 0.181 1
1 357 . 6 1 1 A 31 31 ILE CA C 31 65.200 65.606 -0.406 1
1 358 . 6 1 1 A 31 31 ILE CB C 31 36.300 37.596 -1.296 1
1 362 . 6 1 1 A 31 31 ILE N N 31 122.000 121.391 0.609 1
1 363 . 6 1 1 A 32 32 LYS H H 32 8.320 8.671 -0.351 1
1 364 . 6 1 1 A 32 32 LYS HA H 32 4.090 4.060 0.030 1
1 373 . 6 1 1 A 32 32 LYS CA C 32 60.500 59.549 0.951 1
1 374 . 6 1 1 A 32 32 LYS CB C 32 32.500 32.117 0.383 1
1 378 . 6 1 1 A 32 32 LYS N N 32 121.300 121.498 -0.198 1
1 379 . 6 1 1 A 33 33 THR H H 33 8.160 7.437 0.723 1
1 380 . 6 1 1 A 33 33 THR HA H 33 3.690 3.934 -0.244 1
1 385 . 6 1 1 A 33 33 THR CA C 33 66.500 66.331 0.169 1
1 386 . 6 1 1 A 33 33 THR CB C 33 69.200 69.031 0.169 1
1 388 . 6 1 1 A 33 33 THR N N 33 113.400 116.041 -2.641 1
1 389 . 6 1 1 A 34 34 TYR H H 34 7.640 8.052 -0.412 1
1 390 . 6 1 1 A 34 34 TYR HA H 34 4.670 4.318 0.352 1
1 397 . 6 1 1 A 34 34 TYR CA C 34 59.800 60.358 -0.558 1
1 398 . 6 1 1 A 34 34 TYR CB C 34 39.800 38.920 0.880 1
1 401 . 6 1 1 A 34 34 TYR N N 34 113.700 118.855 -5.155 1
1 402 . 6 1 1 A 35 35 CYS H H 35 8.170 7.900 0.270 1
1 403 . 6 1 1 A 35 35 CYS HA H 35 4.470 4.607 -0.137 1
1 406 . 6 1 1 A 35 35 CYS CA C 35 60.700 59.495 1.205 1
1 407 . 6 1 1 A 35 35 CYS CB C 35 27.700 28.509 -0.809 1
1 408 . 6 1 1 A 35 35 CYS N N 35 113.100 117.391 -4.291 1
1 409 . 6 1 1 A 36 36 GLY H H 36 8.110 8.024 0.086 1
1 410 . 6 1 1 A 36 36 GLY HA2 H 36 3.880 3.794 0.086 1
1 411 . 6 1 1 A 36 36 GLY HA3 H 36 4.480 3.846 0.634 1
1 412 . 6 1 1 A 36 36 GLY CA C 36 49.400 48.291 1.109 1
1 413 . 6 1 1 A 36 36 GLY N N 36 110.800 109.847 0.953 1
1 414 . 6 1 1 A 37 37 PRO HA H 37 4.470 4.373 0.097 1
1 421 . 6 1 1 A 37 37 PRO CA C 37 64.400 64.873 -0.473 1
1 422 . 6 1 1 A 37 37 PRO CB C 37 32.700 31.310 1.390 1
1 425 . 6 1 1 A 38 38 VAL H H 38 7.270 7.748 -0.478 1
1 426 . 6 1 1 A 38 38 VAL HA H 38 4.190 3.890 0.300 1
1 434 . 6 1 1 A 38 38 VAL CA C 38 63.600 63.942 -0.342 1
1 435 . 6 1 1 A 38 38 VAL CB C 38 34.800 32.211 2.589 1
1 438 . 6 1 1 A 38 38 VAL N N 38 113.900 115.851 -1.951 1
1 439 . 6 1 1 A 39 39 ILE H H 39 7.590 7.911 -0.321 1
1 440 . 6 1 1 A 39 39 ILE HA H 39 4.590 4.380 0.210 1
1 450 . 6 1 1 A 39 39 ILE CA C 39 60.500 60.578 -0.078 1
1 451 . 6 1 1 A 39 39 ILE CB C 39 39.500 38.133 1.367 1
1 455 . 6 1 1 A 39 39 ILE N N 39 107.400 114.892 -7.492 1
1 456 . 6 1 1 A 40 40 GLY H H 40 7.670 8.097 -0.427 1
1 457 . 6 1 1 A 40 40 GLY HA2 H 40 4.040 3.833 0.207 1
1 458 . 6 1 1 A 40 40 GLY HA3 H 40 4.430 4.011 0.419 1
1 459 . 6 1 1 A 40 40 GLY CA C 40 49.400 48.205 1.195 1
1 460 . 6 1 1 A 40 40 GLY N N 40 109.200 112.289 -3.089 1
1 461 . 6 1 1 A 41 41 PRO HA H 41 4.770 4.447 0.323 1
1 468 . 6 1 1 A 41 41 PRO CA C 41 63.200 64.046 -0.846 1
1 469 . 6 1 1 A 41 41 PRO CB C 41 31.800 31.671 0.129 1
1 472 . 6 1 1 A 42 42 LEU H H 42 7.540 7.623 -0.083 1
1 473 . 6 1 1 A 42 42 LEU HA H 42 4.320 4.441 -0.121 1
1 483 . 6 1 1 A 42 42 LEU CA C 42 54.000 54.247 -0.247 1
1 484 . 6 1 1 A 42 42 LEU CB C 42 42.000 42.683 -0.683 1
1 488 . 6 1 1 A 42 42 LEU N N 42 119.600 120.346 -0.746 1
1 489 . 6 1 1 A 43 43 SER H H 43 8.880 8.774 0.106 1
1 490 . 6 1 1 A 43 43 SER HA H 43 4.510 4.667 -0.157 1
1 493 . 6 1 1 A 43 43 SER CA C 43 58.600 59.834 -1.234 1
1 494 . 6 1 1 A 43 43 SER CB C 43 63.000 63.468 -0.468 1
1 495 . 6 1 1 A 43 43 SER N N 43 116.100 116.681 -0.581 1
1 496 . 6 1 1 A 44 44 VAL H H 44 9.020 8.690 0.330 1
1 497 . 6 1 1 A 44 44 VAL HA H 44 3.920 4.133 -0.213 1
1 505 . 6 1 1 A 44 44 VAL CA C 44 65.900 64.883 1.017 1
1 506 . 6 1 1 A 44 44 VAL CB C 44 32.100 32.075 0.025 1
1 509 . 6 1 1 A 44 44 VAL N N 44 124.400 126.977 -2.577 1
1 510 . 6 1 1 A 45 45 GLN H H 45 8.700 8.818 -0.118 1
1 511 . 6 1 1 A 45 45 GLN HA H 45 4.170 4.170 0.000 1
1 518 . 6 1 1 A 45 45 GLN CA C 45 57.400 57.727 -0.327 1
1 519 . 6 1 1 A 45 45 GLN CB C 45 29.000 27.826 1.174 1
1 521 . 6 1 1 A 45 45 GLN N N 45 120.500 118.962 1.538 1
1 523 . 6 1 1 A 46 46 ASP H H 46 7.870 7.843 0.027 1
1 524 . 6 1 1 A 46 46 ASP HA H 46 4.720 4.694 0.026 1
1 527 . 6 1 1 A 46 46 ASP CA C 46 54.400 54.576 -0.176 1
1 528 . 6 1 1 A 46 46 ASP CB C 46 40.800 41.625 -0.825 1
1 529 . 6 1 1 A 46 46 ASP N N 46 117.200 118.422 -1.222 1
1 530 . 6 1 1 A 47 47 VAL H H 47 6.970 7.367 -0.397 1
1 531 . 6 1 1 A 47 47 VAL HA H 47 3.490 3.846 -0.356 1
1 539 . 6 1 1 A 47 47 VAL CA C 47 65.200 62.831 2.369 1
1 540 . 6 1 1 A 47 47 VAL CB C 47 31.100 31.630 -0.530 1
1 543 . 6 1 1 A 47 47 VAL N N 47 118.500 121.503 -3.003 1
1 544 . 6 1 1 A 48 48 ASP H H 48 7.220 8.420 -1.200 1
1 545 . 6 1 1 A 48 48 ASP HA H 48 4.910 5.025 -0.115 1
1 548 . 6 1 1 A 48 48 ASP CA C 48 51.600 52.313 -0.713 1
1 549 . 6 1 1 A 48 48 ASP CB C 48 42.700 44.132 -1.432 1
1 550 . 6 1 1 A 48 48 ASP N N 48 128.000 128.338 -0.338 1
1 551 . 6 1 1 A 49 49 THR H H 49 8.490 8.755 -0.265 1
1 552 . 6 1 1 A 49 49 THR HA H 49 3.770 3.678 0.092 1
1 557 . 6 1 1 A 49 49 THR CA C 49 67.300 65.802 1.498 1
1 558 . 6 1 1 A 49 49 THR CB C 49 68.900 68.583 0.317 1
1 560 . 6 1 1 A 49 49 THR N N 49 115.800 118.442 -2.642 1
1 561 . 6 1 1 A 50 50 LYS H H 50 7.860 8.270 -0.410 1
1 562 . 6 1 1 A 50 50 LYS HA H 50 3.860 4.018 -0.158 1
1 571 . 6 1 1 A 50 50 LYS CA C 50 60.000 59.788 0.212 1
1 572 . 6 1 1 A 50 50 LYS CB C 50 31.600 31.573 0.027 1
1 576 . 6 1 1 A 50 50 LYS N N 50 120.500 121.020 -0.520 1
1 577 . 6 1 1 A 51 51 LEU H H 51 8.190 7.733 0.457 1
1 578 . 6 1 1 A 51 51 LEU HA H 51 4.050 4.081 -0.031 1
1 588 . 6 1 1 A 51 51 LEU CA C 51 57.600 57.808 -0.208 1
1 589 . 6 1 1 A 51 51 LEU CB C 51 42.400 41.331 1.069 1
1 593 . 6 1 1 A 51 51 LEU N N 51 120.600 119.331 1.269 1
1 594 . 6 1 1 A 52 52 ILE H H 52 7.850 8.096 -0.246 1
1 595 . 6 1 1 A 52 52 ILE HA H 52 3.440 3.476 -0.036 1
1 605 . 6 1 1 A 52 52 ILE CA C 52 65.200 64.958 0.242 1
1 606 . 6 1 1 A 52 52 ILE CB C 52 36.700 37.323 -0.623 1
1 610 . 6 1 1 A 52 52 ILE N N 52 118.600 120.139 -1.539 1
1 611 . 6 1 1 A 53 53 MET H H 53 8.540 8.666 -0.126 1
1 612 . 6 1 1 A 53 53 MET HA H 53 4.040 4.236 -0.196 1
1 620 . 6 1 1 A 53 53 MET CA C 53 59.000 59.307 -0.307 1
1 621 . 6 1 1 A 53 53 MET CB C 53 31.300 33.101 -1.801 1
1 624 . 6 1 1 A 53 53 MET N N 53 118.600 118.426 0.174 1
1 625 . 6 1 1 A 54 54 LYS H H 54 7.620 7.626 -0.006 1
1 626 . 6 1 1 A 54 54 LYS HA H 54 4.140 4.136 0.004 1
1 635 . 6 1 1 A 54 54 LYS CA C 54 59.200 59.010 0.190 1
1 636 . 6 1 1 A 54 54 LYS CB C 54 32.300 32.600 -0.300 1
1 640 . 6 1 1 A 54 54 LYS N N 54 119.100 118.853 0.247 1
1 641 . 6 1 1 A 55 55 VAL H H 55 7.560 7.430 0.130 1
1 642 . 6 1 1 A 55 55 VAL HA H 55 3.670 3.624 0.046 1
1 650 . 6 1 1 A 55 55 VAL CA C 55 65.600 66.044 -0.444 1
1 651 . 6 1 1 A 55 55 VAL CB C 55 31.900 31.764 0.136 1
1 654 . 6 1 1 A 55 55 VAL N N 55 117.200 119.770 -2.570 1
1 655 . 6 1 1 A 56 56 LEU H H 56 7.790 7.759 0.031 1
1 656 . 6 1 1 A 56 56 LEU HA H 56 3.900 3.826 0.074 1
1 666 . 6 1 1 A 56 56 LEU CA C 56 56.400 56.735 -0.335 1
1 667 . 6 1 1 A 56 56 LEU CB C 56 42.700 41.994 0.706 1
1 671 . 6 1 1 A 56 56 LEU N N 56 114.400 118.780 -4.380 1
1 672 . 6 1 1 A 57 57 ASP H H 57 8.850 8.356 0.494 1
1 673 . 6 1 1 A 57 57 ASP HA H 57 4.140 4.598 -0.458 1
1 676 . 6 1 1 A 57 57 ASP CA C 57 59.100 59.398 -0.298 1
1 677 . 6 1 1 A 57 57 ASP CB C 57 38.200 38.446 -0.246 1
1 678 . 6 1 1 A 57 57 ASP N N 57 120.500 121.460 -0.960 1
1 679 . 6 1 1 A 58 58 PRO HA H 58 4.520 4.409 0.111 1
1 686 . 6 1 1 A 58 58 PRO CA C 58 65.300 64.676 0.624 1
1 687 . 6 1 1 A 58 58 PRO CB C 58 31.700 31.453 0.247 1
1 690 . 6 1 1 A 59 59 ILE H H 59 7.400 7.700 -0.300 1
1 691 . 6 1 1 A 59 59 ILE HA H 59 4.060 3.872 0.188 1
1 701 . 6 1 1 A 59 59 ILE CA C 59 62.300 63.657 -1.357 1
1 702 . 6 1 1 A 59 59 ILE CB C 59 39.300 36.812 2.488 1
1 706 . 6 1 1 A 59 59 ILE N N 59 113.300 116.563 -3.263 1
1 707 . 6 1 1 A 60 60 TRP H H 60 8.000 7.842 0.158 1
1 708 . 6 1 1 A 60 60 TRP HA H 60 3.830 4.377 -0.547 1
1 717 . 6 1 1 A 60 60 TRP CA C 60 61.300 59.771 1.529 1
1 718 . 6 1 1 A 60 60 TRP CB C 60 29.700 29.262 0.438 1
1 724 . 6 1 1 A 60 60 TRP N N 60 120.900 120.946 -0.046 1
1 726 . 6 1 1 A 61 61 GLU H H 61 7.840 8.328 -0.488 1
1 727 . 6 1 1 A 61 61 GLU HA H 61 4.110 4.047 0.063 1
1 732 . 6 1 1 A 61 61 GLU CA C 61 58.100 59.568 -1.468 1
1 733 . 6 1 1 A 61 61 GLU CB C 61 29.500 29.070 0.430 1
1 735 . 6 1 1 A 61 61 GLU N N 61 112.300 120.545 -8.245 1
1 736 . 6 1 1 A 62 62 GLN H H 62 7.710 7.677 0.033 1
1 737 . 6 1 1 A 62 62 GLN HA H 62 4.400 4.141 0.259 1
1 744 . 6 1 1 A 62 62 GLN CA C 62 57.200 58.036 -0.836 1
1 745 . 6 1 1 A 62 62 GLN CB C 62 30.800 30.018 0.782 1
1 747 . 6 1 1 A 62 62 GLN N N 62 115.200 118.902 -3.702 1
1 749 . 6 1 1 A 63 63 LYS H H 63 8.500 7.861 0.639 1
1 750 . 6 1 1 A 63 63 LYS HA H 63 4.860 4.756 0.104 1
1 759 . 6 1 1 A 63 63 LYS CA C 63 53.300 53.791 -0.491 1
1 760 . 6 1 1 A 63 63 LYS CB C 63 33.800 33.056 0.744 1
1 764 . 6 1 1 A 63 63 LYS N N 63 117.800 117.625 0.175 1
1 765 . 6 1 1 A 64 64 PRO HA H 64 4.110 4.352 -0.242 1
1 772 . 6 1 1 A 64 64 PRO CA C 64 66.000 65.732 0.268 1
1 773 . 6 1 1 A 64 64 PRO CB C 64 31.500 32.020 -0.520 1
1 776 . 6 1 1 A 65 65 GLU H H 65 8.680 8.757 -0.077 1
1 777 . 6 1 1 A 65 65 GLU HA H 65 4.120 4.100 0.020 1
1 782 . 6 1 1 A 65 65 GLU CA C 65 59.300 59.309 -0.009 1
1 783 . 6 1 1 A 65 65 GLU CB C 65 28.500 29.052 -0.552 1
1 785 . 6 1 1 A 65 65 GLU N N 65 117.800 118.504 -0.704 1
1 786 . 6 1 1 A 66 66 THR H H 66 7.370 7.817 -0.447 1
1 787 . 6 1 1 A 66 66 THR HA H 66 3.820 3.792 0.028 1
1 792 . 6 1 1 A 66 66 THR CA C 66 66.200 66.439 -0.239 1
1 793 . 6 1 1 A 66 66 THR CB C 66 68.200 68.502 -0.302 1
1 795 . 6 1 1 A 66 66 THR N N 66 117.800 117.683 0.117 1
1 796 . 6 1 1 A 67 67 ALA H H 67 7.890 7.864 0.026 1
1 797 . 6 1 1 A 67 67 ALA HA H 67 3.380 3.649 -0.269 1
1 801 . 6 1 1 A 67 67 ALA CA C 67 55.200 54.933 0.267 1
1 802 . 6 1 1 A 67 67 ALA CB C 67 17.400 17.368 0.032 1
1 803 . 6 1 1 A 67 67 ALA N N 67 123.900 124.086 -0.186 1
1 804 . 6 1 1 A 68 68 SER H H 68 7.920 7.785 0.135 1
1 805 . 6 1 1 A 68 68 SER HA H 68 4.070 4.212 -0.142 1
1 808 . 6 1 1 A 68 68 SER CA C 68 61.200 60.733 0.467 1
1 809 . 6 1 1 A 68 68 SER CB C 68 62.700 62.953 -0.253 1
1 810 . 6 1 1 A 68 68 SER N N 68 111.500 113.303 -1.803 1
1 811 . 6 1 1 A 69 69 ARG H H 69 7.840 7.629 0.211 1
1 812 . 6 1 1 A 69 69 ARG HA H 69 4.010 4.031 -0.021 1
1 819 . 6 1 1 A 69 69 ARG CA C 69 58.700 58.832 -0.132 1
1 820 . 6 1 1 A 69 69 ARG CB C 69 30.000 29.650 0.350 1
1 823 . 6 1 1 A 69 69 ARG N N 69 121.200 122.248 -1.048 1
1 824 . 6 1 1 A 70 70 LEU H H 70 8.490 7.734 0.756 1
1 825 . 6 1 1 A 70 70 LEU HA H 70 3.740 3.945 -0.205 1
1 835 . 6 1 1 A 70 70 LEU CA C 70 57.500 57.293 0.207 1
1 836 . 6 1 1 A 70 70 LEU CB C 70 41.100 41.707 -0.607 1
1 840 . 6 1 1 A 70 70 LEU N N 70 121.100 121.075 0.025 1
1 841 . 6 1 1 A 71 71 ARG H H 71 8.460 8.096 0.364 1
1 842 . 6 1 1 A 71 71 ARG HA H 71 3.540 3.902 -0.362 1
1 850 . 6 1 1 A 71 71 ARG CA C 71 60.700 59.601 1.099 1
1 851 . 6 1 1 A 71 71 ARG CB C 71 28.000 29.664 -1.664 1
1 854 . 6 1 1 A 71 71 ARG N N 71 119.800 119.124 0.676 1
1 856 . 6 1 1 A 72 72 GLY H H 72 7.530 8.186 -0.656 1
1 857 . 6 1 1 A 72 72 GLY HA2 H 72 3.980 3.710 0.270 1
1 858 . 6 1 1 A 72 72 GLY HA3 H 72 3.870 3.743 0.127 1
1 859 . 6 1 1 A 72 72 GLY CA C 72 47.100 47.381 -0.281 1
1 860 . 6 1 1 A 72 72 GLY N N 72 103.400 107.065 -3.665 1
1 861 . 6 1 1 A 73 73 ARG H H 73 7.800 7.931 -0.131 1
1 862 . 6 1 1 A 73 73 ARG HA H 73 3.930 3.889 0.041 1
1 869 . 6 1 1 A 73 73 ARG CA C 73 59.400 59.207 0.193 1
1 870 . 6 1 1 A 73 73 ARG CB C 73 29.500 29.663 -0.163 1
1 873 . 6 1 1 A 73 73 ARG N N 73 122.800 121.549 1.251 1
1 874 . 6 1 1 A 74 74 ILE H H 74 8.420 7.750 0.670 1
1 875 . 6 1 1 A 74 74 ILE HA H 74 3.440 3.847 -0.407 1
1 885 . 6 1 1 A 74 74 ILE CA C 74 66.500 65.495 1.005 1
1 886 . 6 1 1 A 74 74 ILE CB C 74 38.300 37.324 0.976 1
1 890 . 6 1 1 A 74 74 ILE N N 74 118.800 121.039 -2.239 1
1 891 . 6 1 1 A 75 75 GLU H H 75 8.620 8.812 -0.192 1
1 892 . 6 1 1 A 75 75 GLU HA H 75 3.840 4.020 -0.180 1
1 897 . 6 1 1 A 75 75 GLU CA C 75 59.900 59.896 0.004 1
1 898 . 6 1 1 A 75 75 GLU CB C 75 29.400 29.594 -0.194 1
1 900 . 6 1 1 A 75 75 GLU N N 75 119.200 122.174 -2.974 1
1 901 . 6 1 1 A 76 76 SER H H 76 8.380 7.788 0.592 1
1 902 . 6 1 1 A 76 76 SER HA H 76 4.460 4.250 0.210 1
1 905 . 6 1 1 A 76 76 SER CA C 76 62.900 62.730 0.170 1
1 906 . 6 1 1 A 76 76 SER CB C 76 63.000 63.263 -0.263 1
1 907 . 6 1 1 A 76 76 SER N N 76 116.000 116.848 -0.848 1
1 908 . 6 1 1 A 77 77 VAL H H 77 8.190 7.745 0.445 1
1 909 . 6 1 1 A 77 77 VAL HA H 77 3.290 2.937 0.353 1
1 917 . 6 1 1 A 77 77 VAL CA C 77 66.800 66.698 0.102 1
1 918 . 6 1 1 A 77 77 VAL CB C 77 31.400 31.495 -0.095 1
1 921 . 6 1 1 A 77 77 VAL N N 77 122.800 121.966 0.834 1
1 922 . 6 1 1 A 78 78 LEU H H 78 8.590 8.734 -0.144 1
1 923 . 6 1 1 A 78 78 LEU HA H 78 4.270 4.054 0.216 1
1 933 . 6 1 1 A 78 78 LEU CA C 78 57.800 58.258 -0.458 1
1 934 . 6 1 1 A 78 78 LEU CB C 78 40.900 40.735 0.165 1
1 938 . 6 1 1 A 78 78 LEU N N 78 116.900 118.510 -1.610 1
1 939 . 6 1 1 A 79 79 ASP H H 79 8.790 8.284 0.506 1
1 940 . 6 1 1 A 79 79 ASP HA H 79 4.730 4.352 0.378 1
1 943 . 6 1 1 A 79 79 ASP CA C 79 57.900 57.380 0.520 1
1 944 . 6 1 1 A 79 79 ASP CB C 79 40.400 41.148 -0.748 1
1 945 . 6 1 1 A 79 79 ASP N N 79 123.800 119.252 4.548 1
1 946 . 6 1 1 A 80 80 TRP H H 80 8.210 8.288 -0.078 1
1 947 . 6 1 1 A 80 80 TRP HA H 80 4.380 4.353 0.027 1
1 956 . 6 1 1 A 80 80 TRP CA C 80 61.600 61.444 0.156 1
1 957 . 6 1 1 A 80 80 TRP CB C 80 29.100 29.454 -0.354 1
1 963 . 6 1 1 A 80 80 TRP N N 80 123.700 121.791 1.909 1
1 965 . 6 1 1 A 81 81 ALA H H 81 8.980 8.411 0.569 1
1 966 . 6 1 1 A 81 81 ALA HA H 81 3.850 3.874 -0.024 1
1 970 . 6 1 1 A 81 81 ALA CA C 81 54.500 55.207 -0.707 1
1 971 . 6 1 1 A 81 81 ALA CB C 81 19.600 18.121 1.479 1
1 972 . 6 1 1 A 81 81 ALA N N 81 118.400 121.278 -2.878 1
1 973 . 6 1 1 A 82 82 THR H H 82 7.990 7.702 0.288 1
1 974 . 6 1 1 A 82 82 THR HA H 82 4.310 4.640 -0.330 1
1 979 . 6 1 1 A 82 82 THR CA C 82 65.800 66.753 -0.953 1
1 980 . 6 1 1 A 82 82 THR CB C 82 68.800 67.921 0.879 1
1 982 . 6 1 1 A 82 82 THR N N 82 116.400 114.957 1.443 1
1 983 . 6 1 1 A 83 83 VAL H H 83 7.970 7.884 0.086 1
1 984 . 6 1 1 A 83 83 VAL HA H 83 3.720 3.509 0.211 1
1 992 . 6 1 1 A 83 83 VAL CA C 83 65.900 66.795 -0.895 1
1 993 . 6 1 1 A 83 83 VAL CB C 83 31.400 31.337 0.063 1
1 996 . 6 1 1 A 83 83 VAL N N 83 123.700 121.555 2.145 1
1 997 . 6 1 1 A 84 84 ARG H H 84 7.300 7.509 -0.209 1
1 998 . 6 1 1 A 84 84 ARG HA H 84 3.740 3.919 -0.179 1
1 1005 . 6 1 1 A 84 84 ARG CA C 84 55.300 55.939 -0.639 1
1 1006 . 6 1 1 A 84 84 ARG CB C 84 29.400 30.019 -0.619 1
1 1009 . 6 1 1 A 84 84 ARG N N 84 115.400 118.021 -2.621 1
1 1010 . 6 1 1 A 85 85 GLY H H 85 7.510 7.539 -0.029 1
1 1011 . 6 1 1 A 85 85 GLY HA2 H 85 4.010 3.796 0.214 1
1 1012 . 6 1 1 A 85 85 GLY HA3 H 85 3.830 3.878 -0.048 1
1 1013 . 6 1 1 A 85 85 GLY CA C 85 45.400 45.128 0.272 1
1 1014 . 6 1 1 A 85 85 GLY N N 85 105.600 107.140 -1.540 1
1 1015 . 6 1 1 A 86 86 TYR H H 86 8.120 7.693 0.427 1
1 1016 . 6 1 1 A 86 86 TYR HA H 86 4.740 4.315 0.425 1
1 1023 . 6 1 1 A 86 86 TYR CA C 86 55.800 59.967 -4.167 1
1 1024 . 6 1 1 A 86 86 TYR CB C 86 38.000 38.351 -0.351 1
1 1027 . 6 1 1 A 86 86 TYR N N 86 118.700 119.211 -0.511 1
1 1028 . 6 1 1 A 87 87 ARG H H 87 7.500 7.384 0.116 1
1 1029 . 6 1 1 A 87 87 ARG HA H 87 4.710 4.804 -0.094 1
1 1037 . 6 1 1 A 87 87 ARG CA C 87 54.100 54.823 -0.723 1
1 1038 . 6 1 1 A 87 87 ARG CB C 87 31.900 33.424 -1.524 1
1 1041 . 6 1 1 A 87 87 ARG N N 87 111.200 115.700 -4.500 1
1 1043 . 6 1 1 A 88 88 GLU H H 88 9.190 8.725 0.465 1
1 1044 . 6 1 1 A 88 88 GLU HA H 88 4.760 5.000 -0.240 1
1 1049 . 6 1 1 A 88 88 GLU CA C 88 54.800 54.898 -0.098 1
1 1050 . 6 1 1 A 88 88 GLU CB C 88 32.500 33.393 -0.893 1
1 1052 . 6 1 1 A 88 88 GLU N N 88 118.800 120.110 -1.310 1
1 1053 . 6 1 1 A 89 89 GLY H H 89 8.580 8.217 0.363 1
1 1054 . 6 1 1 A 89 89 GLY HA2 H 89 3.850 4.164 -0.314 1
1 1055 . 6 1 1 A 89 89 GLY HA3 H 89 4.500 4.164 0.336 1
1 1056 . 6 1 1 A 89 89 GLY CA C 89 43.700 44.795 -1.095 1
1 1057 . 6 1 1 A 89 89 GLY N N 89 107.900 108.401 -0.501 1
1 1058 . 6 1 1 A 90 90 ASP H H 90 8.630 8.487 0.143 1
1 1059 . 6 1 1 A 90 90 ASP HA H 90 4.480 5.145 -0.665 1
1 1062 . 6 1 1 A 90 90 ASP CA C 90 54.600 52.863 1.737 1
1 1063 . 6 1 1 A 90 90 ASP CB C 90 40.500 44.051 -3.551 1
1 1064 . 6 1 1 A 90 90 ASP N N 90 120.700 122.123 -1.423 1
1 1065 . 6 1 1 A 91 91 ASN H H 91 8.930 8.632 0.298 1
1 1066 . 6 1 1 A 91 91 ASN HA H 91 4.580 5.374 -0.794 1
1 1071 . 6 1 1 A 91 91 ASN CA C 91 51.100 50.316 0.784 1
1 1072 . 6 1 1 A 91 91 ASN CB C 91 39.100 39.370 -0.270 1
1 1073 . 6 1 1 A 91 91 ASN N N 91 122.700 119.469 3.231 1
1 1075 . 6 1 1 A 92 92 PRO HA H 92 4.490 4.225 0.265 1
1 1082 . 6 1 1 A 92 92 PRO CA C 92 63.500 63.912 -0.412 1
1 1083 . 6 1 1 A 92 92 PRO CB C 92 32.300 31.584 0.716 1
1 1086 . 6 1 1 A 93 93 ALA H H 93 8.610 8.172 0.438 1
1 1087 . 6 1 1 A 93 93 ALA HA H 93 4.450 3.965 0.485 1
1 1091 . 6 1 1 A 93 93 ALA CA C 93 52.000 52.918 -0.918 1
1 1092 . 6 1 1 A 93 93 ALA CB C 93 18.100 19.024 -0.924 1
1 1093 . 6 1 1 A 93 93 ALA N N 93 120.500 120.935 -0.435 1
1 1094 . 6 1 1 A 94 94 ARG H H 94 7.280 7.615 -0.335 1
1 1095 . 6 1 1 A 94 94 ARG HA H 94 3.830 4.333 -0.503 1
1 1102 . 6 1 1 A 94 94 ARG CA C 94 55.500 58.614 -3.114 1
1 1103 . 6 1 1 A 94 94 ARG CB C 94 30.500 30.753 -0.253 1
1 1106 . 6 1 1 A 94 94 ARG N N 94 118.100 117.313 0.787 1
1 1107 . 6 1 1 A 95 95 TRP H H 95 7.310 7.830 -0.520 1
1 1108 . 6 1 1 A 95 95 TRP HA H 95 4.610 4.660 -0.050 1
1 1117 . 6 1 1 A 95 95 TRP CA C 95 55.200 59.440 -4.240 1
1 1118 . 6 1 1 A 95 95 TRP CB C 95 29.500 28.342 1.158 1
1 1124 . 6 1 1 A 95 95 TRP N N 95 121.200 119.709 1.491 1
1 1126 . 6 1 1 A 96 96 ARG H H 96 8.380 8.830 -0.450 1
1 1127 . 6 1 1 A 96 96 ARG HA H 96 4.140 4.698 -0.558 1
1 1134 . 6 1 1 A 96 96 ARG CA C 96 57.200 55.118 2.082 1
1 1135 . 6 1 1 A 96 96 ARG CB C 96 29.900 30.981 -1.081 1
1 1138 . 6 1 1 A 96 96 ARG N N 96 122.100 118.141 3.959 1
1 1139 . 6 1 1 A 97 97 GLY H H 97 7.920 7.952 -0.032 1
1 1140 . 6 1 1 A 97 97 GLY HA2 H 97 3.710 4.013 -0.303 1
1 1141 . 6 1 1 A 97 97 GLY HA3 H 97 3.630 4.020 -0.390 1
1 1142 . 6 1 1 A 97 97 GLY CA C 97 45.700 45.471 0.229 1
1 1143 . 6 1 1 A 97 97 GLY N N 97 110.500 109.327 1.173 1
1 1144 . 6 1 1 A 98 98 TYR H H 98 7.770 8.535 -0.765 1
1 1145 . 6 1 1 A 98 98 TYR HA H 98 4.090 4.138 -0.048 1
1 1152 . 6 1 1 A 98 98 TYR CA C 98 59.900 60.059 -0.159 1
1 1153 . 6 1 1 A 98 98 TYR CB C 98 37.100 37.345 -0.245 1
1 1156 . 6 1 1 A 98 98 TYR N N 98 120.400 120.357 0.043 1
1 1157 . 6 1 1 A 99 99 LEU H H 99 7.820 8.010 -0.190 1
1 1158 . 6 1 1 A 99 99 LEU HA H 99 3.890 3.693 0.197 1
1 1168 . 6 1 1 A 99 99 LEU CA C 99 55.600 57.178 -1.578 1
1 1169 . 6 1 1 A 99 99 LEU CB C 99 41.600 41.444 0.156 1
1 1173 . 6 1 1 A 99 99 LEU N N 99 120.700 119.216 1.484 1
1 1174 . 6 1 1 A 100 100 GLU H H 100 7.680 7.557 0.123 1
1 1175 . 6 1 1 A 100 100 GLU HA H 100 3.900 3.789 0.111 1
1 1180 . 6 1 1 A 100 100 GLU CA C 100 56.500 57.270 -0.770 1
1 1181 . 6 1 1 A 100 100 GLU CB C 100 29.500 28.365 1.135 1
1 13 . 7 1 1 A 2 2 THR H H 2 9.230 8.689 0.541 1
1 14 . 7 1 1 A 2 2 THR HA H 2 5.080 5.187 -0.107 1
1 19 . 7 1 1 A 2 2 THR CA C 2 61.000 60.764 0.236 1
1 20 . 7 1 1 A 2 2 THR CB C 2 70.800 71.260 -0.460 1
1 22 . 7 1 1 A 2 2 THR N N 2 119.100 116.866 2.234 1
1 23 . 7 1 1 A 3 3 PHE H H 3 9.290 9.341 -0.051 1
1 24 . 7 1 1 A 3 3 PHE HA H 3 3.880 4.146 -0.266 1
1 32 . 7 1 1 A 3 3 PHE CA C 3 63.900 62.322 1.578 1
1 33 . 7 1 1 A 3 3 PHE CB C 3 38.800 39.201 -0.401 1
1 37 . 7 1 1 A 3 3 PHE N N 3 122.600 123.640 -1.040 1
1 38 . 7 1 1 A 4 4 SER H H 4 9.930 8.079 1.851 1
1 39 . 7 1 1 A 4 4 SER HA H 4 4.000 4.141 -0.141 1
1 42 . 7 1 1 A 4 4 SER CA C 4 62.800 61.934 0.866 1
1 43 . 7 1 1 A 4 4 SER CB C 4 62.600 62.700 -0.100 1
1 44 . 7 1 1 A 4 4 SER N N 4 116.300 116.337 -0.037 1
1 45 . 7 1 1 A 5 5 GLU H H 5 7.980 7.514 0.466 1
1 46 . 7 1 1 A 5 5 GLU HA H 5 3.990 4.006 -0.016 1
1 51 . 7 1 1 A 5 5 GLU CA C 5 58.800 58.912 -0.112 1
1 52 . 7 1 1 A 5 5 GLU CB C 5 29.700 29.707 -0.007 1
1 54 . 7 1 1 A 5 5 GLU N N 5 122.800 121.303 1.497 1
1 55 . 7 1 1 A 6 6 CYS H H 6 8.430 7.931 0.499 1
1 56 . 7 1 1 A 6 6 CYS HA H 6 4.120 4.186 -0.066 1
1 59 . 7 1 1 A 6 6 CYS CA C 6 63.300 61.819 1.481 1
1 60 . 7 1 1 A 6 6 CYS CB C 6 27.100 27.118 -0.018 1
1 61 . 7 1 1 A 6 6 CYS N N 6 120.100 119.356 0.744 1
1 62 . 7 1 1 A 7 7 ALA H H 7 8.770 8.160 0.610 1
1 63 . 7 1 1 A 7 7 ALA HA H 7 3.790 3.887 -0.097 1
1 67 . 7 1 1 A 7 7 ALA CA C 7 55.200 54.901 0.299 1
1 68 . 7 1 1 A 7 7 ALA CB C 7 17.400 17.920 -0.520 1
1 69 . 7 1 1 A 7 7 ALA N N 7 120.400 122.371 -1.971 1
1 70 . 7 1 1 A 8 8 ALA H H 8 7.800 8.007 -0.207 1
1 71 . 7 1 1 A 8 8 ALA HA H 8 4.130 4.154 -0.024 1
1 75 . 7 1 1 A 8 8 ALA CA C 8 55.200 55.050 0.150 1
1 76 . 7 1 1 A 8 8 ALA CB C 8 17.700 18.098 -0.398 1
1 77 . 7 1 1 A 8 8 ALA N N 8 119.200 120.986 -1.786 1
1 78 . 7 1 1 A 9 9 LEU H H 9 8.120 8.043 0.077 1
1 79 . 7 1 1 A 9 9 LEU HA H 9 4.080 3.901 0.179 1
1 89 . 7 1 1 A 9 9 LEU CA C 9 57.700 57.771 -0.071 1
1 90 . 7 1 1 A 9 9 LEU CB C 9 42.000 42.176 -0.176 1
1 94 . 7 1 1 A 9 9 LEU N N 9 120.300 118.980 1.320 1
1 95 . 7 1 1 A 10 10 TYR H H 10 8.700 8.108 0.592 1
1 96 . 7 1 1 A 10 10 TYR HA H 10 2.330 3.114 -0.784 1
1 103 . 7 1 1 A 10 10 TYR CA C 10 62.000 61.058 0.942 1
1 104 . 7 1 1 A 10 10 TYR CB C 10 38.100 38.263 -0.163 1
1 107 . 7 1 1 A 10 10 TYR N N 10 122.900 118.349 4.551 1
1 108 . 7 1 1 A 11 11 ILE H H 11 8.600 8.475 0.125 1
1 109 . 7 1 1 A 11 11 ILE HA H 11 3.270 3.568 -0.298 1
1 119 . 7 1 1 A 11 11 ILE CA C 11 65.600 64.956 0.644 1
1 120 . 7 1 1 A 11 11 ILE CB C 11 38.200 37.889 0.311 1
1 124 . 7 1 1 A 11 11 ILE N N 11 123.900 121.174 2.726 1
1 125 . 7 1 1 A 12 12 LYS H H 12 7.910 8.382 -0.472 1
1 126 . 7 1 1 A 12 12 LYS HA H 12 3.870 3.856 0.014 1
1 135 . 7 1 1 A 12 12 LYS CA C 12 59.900 58.715 1.185 1
1 136 . 7 1 1 A 12 12 LYS CB C 12 32.600 32.148 0.452 1
1 140 . 7 1 1 A 12 12 LYS N N 12 120.600 120.919 -0.319 1
1 141 . 7 1 1 A 13 13 ALA H H 13 7.790 7.582 0.208 1
1 142 . 7 1 1 A 13 13 ALA HA H 13 4.100 3.964 0.136 1
1 146 . 7 1 1 A 13 13 ALA CA C 13 53.200 54.112 -0.912 1
1 147 . 7 1 1 A 13 13 ALA CB C 13 18.200 18.093 0.107 1
1 148 . 7 1 1 A 13 13 ALA N N 13 118.100 120.966 -2.866 1
1 149 . 7 1 1 A 14 14 HIS H H 14 7.160 7.446 -0.286 1
1 150 . 7 1 1 A 14 14 HIS HA H 14 3.990 4.241 -0.251 1
1 155 . 7 1 1 A 14 14 HIS CA C 14 56.500 54.692 1.808 1
1 156 . 7 1 1 A 14 14 HIS CB C 14 27.000 29.687 -2.687 1
1 159 . 7 1 1 A 14 14 HIS N N 14 113.200 115.469 -2.269 1
1 160 . 7 1 1 A 15 15 ARG H H 15 7.420 7.796 -0.376 1
1 161 . 7 1 1 A 15 15 ARG HA H 15 3.760 3.903 -0.143 1
1 168 . 7 1 1 A 15 15 ARG CA C 15 59.800 58.545 1.255 1
1 169 . 7 1 1 A 15 15 ARG CB C 15 29.800 29.729 0.071 1
1 172 . 7 1 1 A 15 15 ARG N N 15 121.100 119.052 2.048 1
1 173 . 7 1 1 A 16 16 SER H H 16 8.540 7.783 0.757 1
1 174 . 7 1 1 A 16 16 SER HA H 16 4.230 4.148 0.082 1
1 177 . 7 1 1 A 16 16 SER CA C 16 60.800 61.259 -0.459 1
1 178 . 7 1 1 A 16 16 SER CB C 16 62.200 63.062 -0.862 1
1 179 . 7 1 1 A 16 16 SER N N 16 114.100 117.722 -3.622 1
1 180 . 7 1 1 A 17 17 SER H H 17 7.680 7.279 0.401 1
1 181 . 7 1 1 A 17 17 SER HA H 17 4.370 4.196 0.174 1
1 184 . 7 1 1 A 17 17 SER CA C 17 59.800 59.622 0.178 1
1 185 . 7 1 1 A 17 17 SER CB C 17 63.100 62.903 0.197 1
1 186 . 7 1 1 A 17 17 SER N N 17 116.700 114.823 1.877 1
1 187 . 7 1 1 A 18 18 TRP H H 18 7.640 7.432 0.208 1
1 188 . 7 1 1 A 18 18 TRP HA H 18 4.990 4.785 0.205 1
1 197 . 7 1 1 A 18 18 TRP CA C 18 55.200 56.067 -0.867 1
1 198 . 7 1 1 A 18 18 TRP CB C 18 29.500 29.248 0.252 1
1 204 . 7 1 1 A 18 18 TRP N N 18 121.200 119.584 1.616 1
1 206 . 7 1 1 A 19 19 LYS H H 19 7.920 8.175 -0.255 1
1 207 . 7 1 1 A 19 19 LYS HA H 19 4.180 4.130 0.050 1
1 216 . 7 1 1 A 19 19 LYS CA C 19 58.100 58.336 -0.236 1
1 217 . 7 1 1 A 19 19 LYS CB C 19 32.200 31.038 1.162 1
1 221 . 7 1 1 A 19 19 LYS N N 19 121.100 116.602 4.498 1
1 222 . 7 1 1 A 20 20 ASN H H 20 8.630 8.393 0.237 1
1 223 . 7 1 1 A 20 20 ASN HA H 20 4.760 4.665 0.095 1
1 228 . 7 1 1 A 20 20 ASN CA C 20 53.600 53.520 0.080 1
1 229 . 7 1 1 A 20 20 ASN CB C 20 38.200 38.598 -0.398 1
1 230 . 7 1 1 A 20 20 ASN N N 20 116.500 122.534 -6.034 1
1 232 . 7 1 1 A 21 21 THR H H 21 8.320 8.084 0.236 1
1 233 . 7 1 1 A 21 21 THR HA H 21 4.470 4.975 -0.505 1
1 238 . 7 1 1 A 21 21 THR CA C 21 62.500 59.892 2.608 1
1 239 . 7 1 1 A 21 21 THR CB C 21 70.700 71.135 -0.435 1
1 241 . 7 1 1 A 21 21 THR N N 21 113.700 116.662 -2.962 1
1 242 . 7 1 1 A 22 22 LYS H H 22 8.440 8.959 -0.519 1
1 243 . 7 1 1 A 22 22 LYS HA H 22 4.500 4.499 0.001 1
1 252 . 7 1 1 A 22 22 LYS CA C 22 56.700 56.872 -0.172 1
1 253 . 7 1 1 A 22 22 LYS CB C 22 31.700 32.120 -0.420 1
1 257 . 7 1 1 A 22 22 LYS N N 22 120.900 119.593 1.307 1
1 258 . 7 1 1 A 23 23 HIS H H 23 8.110 7.935 0.175 1
1 259 . 7 1 1 A 23 23 HIS HA H 23 4.450 4.347 0.103 1
1 264 . 7 1 1 A 23 23 HIS CA C 23 57.300 59.582 -2.282 1
1 265 . 7 1 1 A 23 23 HIS CB C 23 27.900 29.111 -1.211 1
1 268 . 7 1 1 A 23 23 HIS N N 23 116.800 119.119 -2.319 1
1 269 . 7 1 1 A 24 24 ALA H H 24 8.490 8.374 0.116 1
1 270 . 7 1 1 A 24 24 ALA HA H 24 4.000 4.030 -0.030 1
1 274 . 7 1 1 A 24 24 ALA CA C 24 55.700 55.354 0.346 1
1 275 . 7 1 1 A 24 24 ALA CB C 24 18.000 18.344 -0.344 1
1 276 . 7 1 1 A 24 24 ALA N N 24 121.700 122.221 -0.521 1
1 277 . 7 1 1 A 25 25 ASP H H 25 8.370 8.327 0.043 1
1 278 . 7 1 1 A 25 25 ASP HA H 25 4.450 4.377 0.073 1
1 281 . 7 1 1 A 25 25 ASP CA C 25 56.800 57.745 -0.945 1
1 282 . 7 1 1 A 25 25 ASP CB C 25 40.200 41.602 -1.402 1
1 283 . 7 1 1 A 25 25 ASP N N 25 119.100 118.833 0.267 1
1 284 . 7 1 1 A 26 26 GLN H H 26 8.020 8.816 -0.796 1
1 285 . 7 1 1 A 26 26 GLN HA H 26 4.250 4.074 0.176 1
1 292 . 7 1 1 A 26 26 GLN CA C 26 58.600 59.149 -0.549 1
1 293 . 7 1 1 A 26 26 GLN CB C 26 28.500 28.213 0.287 1
1 295 . 7 1 1 A 26 26 GLN N N 26 119.500 117.381 2.119 1
1 297 . 7 1 1 A 27 27 TRP H H 27 8.610 8.739 -0.129 1
1 298 . 7 1 1 A 27 27 TRP HA H 27 3.840 4.452 -0.612 1
1 307 . 7 1 1 A 27 27 TRP CA C 27 62.400 59.477 2.923 1
1 308 . 7 1 1 A 27 27 TRP CB C 27 28.300 29.596 -1.296 1
1 314 . 7 1 1 A 27 27 TRP N N 27 122.000 121.205 0.795 1
1 316 . 7 1 1 A 28 28 THR H H 28 8.460 8.132 0.328 1
1 317 . 7 1 1 A 28 28 THR HA H 28 3.790 4.112 -0.322 1
1 322 . 7 1 1 A 28 28 THR CA C 28 67.000 67.085 -0.085 1
1 323 . 7 1 1 A 28 28 THR CB C 28 68.900 68.548 0.352 1
1 325 . 7 1 1 A 28 28 THR N N 28 114.800 115.092 -0.292 1
1 326 . 7 1 1 A 29 29 ASN H H 29 8.650 8.957 -0.307 1
1 327 . 7 1 1 A 29 29 ASN HA H 29 4.530 4.471 0.059 1
1 332 . 7 1 1 A 29 29 ASN CA C 29 56.600 56.517 0.083 1
1 333 . 7 1 1 A 29 29 ASN CB C 29 38.400 38.296 0.104 1
1 334 . 7 1 1 A 29 29 ASN N N 29 118.500 118.975 -0.475 1
1 336 . 7 1 1 A 30 30 THR H H 30 8.170 8.232 -0.062 1
1 337 . 7 1 1 A 30 30 THR HA H 30 4.160 4.121 0.039 1
1 342 . 7 1 1 A 30 30 THR CA C 30 66.100 67.352 -1.252 1
1 343 . 7 1 1 A 30 30 THR CB C 30 69.300 68.640 0.660 1
1 345 . 7 1 1 A 30 30 THR N N 30 113.100 116.326 -3.226 1
1 346 . 7 1 1 A 31 31 ILE H H 31 8.030 7.758 0.272 1
1 347 . 7 1 1 A 31 31 ILE HA H 31 3.850 3.654 0.196 1
1 357 . 7 1 1 A 31 31 ILE CA C 31 65.200 65.654 -0.454 1
1 358 . 7 1 1 A 31 31 ILE CB C 31 36.300 37.776 -1.476 1
1 362 . 7 1 1 A 31 31 ILE N N 31 122.000 121.345 0.655 1
1 363 . 7 1 1 A 32 32 LYS H H 32 8.320 8.649 -0.329 1
1 364 . 7 1 1 A 32 32 LYS HA H 32 4.090 4.029 0.061 1
1 373 . 7 1 1 A 32 32 LYS CA C 32 60.500 59.603 0.897 1
1 374 . 7 1 1 A 32 32 LYS CB C 32 32.500 32.148 0.352 1
1 378 . 7 1 1 A 32 32 LYS N N 32 121.300 121.538 -0.238 1
1 379 . 7 1 1 A 33 33 THR H H 33 8.160 7.728 0.432 1
1 380 . 7 1 1 A 33 33 THR HA H 33 3.690 3.938 -0.248 1
1 385 . 7 1 1 A 33 33 THR CA C 33 66.500 66.369 0.131 1
1 386 . 7 1 1 A 33 33 THR CB C 33 69.200 68.974 0.226 1
1 388 . 7 1 1 A 33 33 THR N N 33 113.400 116.597 -3.197 1
1 389 . 7 1 1 A 34 34 TYR H H 34 7.640 8.216 -0.576 1
1 390 . 7 1 1 A 34 34 TYR HA H 34 4.670 4.332 0.338 1
1 397 . 7 1 1 A 34 34 TYR CA C 34 59.800 60.642 -0.842 1
1 398 . 7 1 1 A 34 34 TYR CB C 34 39.800 39.035 0.765 1
1 401 . 7 1 1 A 34 34 TYR N N 34 113.700 118.866 -5.166 1
1 402 . 7 1 1 A 35 35 CYS H H 35 8.170 8.267 -0.097 1
1 403 . 7 1 1 A 35 35 CYS HA H 35 4.470 4.536 -0.066 1
1 406 . 7 1 1 A 35 35 CYS CA C 35 60.700 60.735 -0.035 1
1 407 . 7 1 1 A 35 35 CYS CB C 35 27.700 28.408 -0.708 1
1 408 . 7 1 1 A 35 35 CYS N N 35 113.100 118.676 -5.576 1
1 409 . 7 1 1 A 36 36 GLY H H 36 8.110 7.867 0.243 1
1 410 . 7 1 1 A 36 36 GLY HA2 H 36 3.880 3.834 0.046 1
1 411 . 7 1 1 A 36 36 GLY HA3 H 36 4.480 3.871 0.609 1
1 412 . 7 1 1 A 36 36 GLY CA C 36 49.400 48.307 1.093 1
1 413 . 7 1 1 A 36 36 GLY N N 36 110.800 109.696 1.104 1
1 414 . 7 1 1 A 37 37 PRO HA H 37 4.470 4.299 0.171 1
1 421 . 7 1 1 A 37 37 PRO CA C 37 64.400 65.096 -0.696 1
1 422 . 7 1 1 A 37 37 PRO CB C 37 32.700 31.397 1.303 1
1 425 . 7 1 1 A 38 38 VAL H H 38 7.270 7.647 -0.377 1
1 426 . 7 1 1 A 38 38 VAL HA H 38 4.190 3.944 0.246 1
1 434 . 7 1 1 A 38 38 VAL CA C 38 63.600 63.861 -0.261 1
1 435 . 7 1 1 A 38 38 VAL CB C 38 34.800 32.072 2.728 1
1 438 . 7 1 1 A 38 38 VAL N N 38 113.900 115.728 -1.828 1
1 439 . 7 1 1 A 39 39 ILE H H 39 7.590 7.719 -0.129 1
1 440 . 7 1 1 A 39 39 ILE HA H 39 4.590 4.315 0.275 1
1 450 . 7 1 1 A 39 39 ILE CA C 39 60.500 60.791 -0.291 1
1 451 . 7 1 1 A 39 39 ILE CB C 39 39.500 37.741 1.759 1
1 455 . 7 1 1 A 39 39 ILE N N 39 107.400 115.217 -7.817 1
1 456 . 7 1 1 A 40 40 GLY H H 40 7.670 7.934 -0.264 1
1 457 . 7 1 1 A 40 40 GLY HA2 H 40 4.040 3.825 0.215 1
1 458 . 7 1 1 A 40 40 GLY HA3 H 40 4.430 3.930 0.500 1
1 459 . 7 1 1 A 40 40 GLY CA C 40 49.400 48.226 1.174 1
1 460 . 7 1 1 A 40 40 GLY N N 40 109.200 112.459 -3.259 1
1 461 . 7 1 1 A 41 41 PRO HA H 41 4.770 4.506 0.264 1
1 468 . 7 1 1 A 41 41 PRO CA C 41 63.200 63.918 -0.718 1
1 469 . 7 1 1 A 41 41 PRO CB C 41 31.800 32.177 -0.377 1
1 472 . 7 1 1 A 42 42 LEU H H 42 7.540 7.608 -0.068 1
1 473 . 7 1 1 A 42 42 LEU HA H 42 4.320 4.429 -0.109 1
1 483 . 7 1 1 A 42 42 LEU CA C 42 54.000 54.321 -0.321 1
1 484 . 7 1 1 A 42 42 LEU CB C 42 42.000 42.480 -0.480 1
1 488 . 7 1 1 A 42 42 LEU N N 42 119.600 121.303 -1.703 1
1 489 . 7 1 1 A 43 43 SER H H 43 8.880 8.569 0.311 1
1 490 . 7 1 1 A 43 43 SER HA H 43 4.510 5.146 -0.636 1
1 493 . 7 1 1 A 43 43 SER CA C 43 58.600 58.630 -0.030 1
1 494 . 7 1 1 A 43 43 SER CB C 43 63.000 63.499 -0.499 1
1 495 . 7 1 1 A 43 43 SER N N 43 116.100 116.812 -0.712 1
1 496 . 7 1 1 A 44 44 VAL H H 44 9.020 8.575 0.445 1
1 497 . 7 1 1 A 44 44 VAL HA H 44 3.920 4.155 -0.235 1
1 505 . 7 1 1 A 44 44 VAL CA C 44 65.900 64.825 1.075 1
1 506 . 7 1 1 A 44 44 VAL CB C 44 32.100 31.942 0.158 1
1 509 . 7 1 1 A 44 44 VAL N N 44 124.400 126.303 -1.903 1
1 510 . 7 1 1 A 45 45 GLN H H 45 8.700 7.820 0.880 1
1 511 . 7 1 1 A 45 45 GLN HA H 45 4.170 4.124 0.046 1
1 518 . 7 1 1 A 45 45 GLN CA C 45 57.400 58.679 -1.279 1
1 519 . 7 1 1 A 45 45 GLN CB C 45 29.000 28.364 0.636 1
1 521 . 7 1 1 A 45 45 GLN N N 45 120.500 121.224 -0.724 1
1 523 . 7 1 1 A 46 46 ASP H H 46 7.870 7.937 -0.067 1
1 524 . 7 1 1 A 46 46 ASP HA H 46 4.720 4.474 0.246 1
1 527 . 7 1 1 A 46 46 ASP CA C 46 54.400 56.003 -1.603 1
1 528 . 7 1 1 A 46 46 ASP CB C 46 40.800 40.622 0.178 1
1 529 . 7 1 1 A 46 46 ASP N N 46 117.200 119.657 -2.457 1
1 530 . 7 1 1 A 47 47 VAL H H 47 6.970 7.199 -0.229 1
1 531 . 7 1 1 A 47 47 VAL HA H 47 3.490 3.874 -0.384 1
1 539 . 7 1 1 A 47 47 VAL CA C 47 65.200 62.777 2.423 1
1 540 . 7 1 1 A 47 47 VAL CB C 47 31.100 31.388 -0.288 1
1 543 . 7 1 1 A 47 47 VAL N N 47 118.500 120.503 -2.003 1
1 544 . 7 1 1 A 48 48 ASP H H 48 7.220 8.313 -1.093 1
1 545 . 7 1 1 A 48 48 ASP HA H 48 4.910 4.964 -0.054 1
1 548 . 7 1 1 A 48 48 ASP CA C 48 51.600 52.486 -0.886 1
1 549 . 7 1 1 A 48 48 ASP CB C 48 42.700 43.460 -0.760 1
1 550 . 7 1 1 A 48 48 ASP N N 48 128.000 129.032 -1.032 1
1 551 . 7 1 1 A 49 49 THR H H 49 8.490 8.874 -0.384 1
1 552 . 7 1 1 A 49 49 THR HA H 49 3.770 3.780 -0.010 1
1 557 . 7 1 1 A 49 49 THR CA C 49 67.300 66.091 1.209 1
1 558 . 7 1 1 A 49 49 THR CB C 49 68.900 68.621 0.279 1
1 560 . 7 1 1 A 49 49 THR N N 49 115.800 118.835 -3.035 1
1 561 . 7 1 1 A 50 50 LYS H H 50 7.860 8.339 -0.479 1
1 562 . 7 1 1 A 50 50 LYS HA H 50 3.860 4.073 -0.213 1
1 571 . 7 1 1 A 50 50 LYS CA C 50 60.000 59.545 0.455 1
1 572 . 7 1 1 A 50 50 LYS CB C 50 31.600 31.821 -0.221 1
1 576 . 7 1 1 A 50 50 LYS N N 50 120.500 120.965 -0.465 1
1 577 . 7 1 1 A 51 51 LEU H H 51 8.190 8.104 0.086 1
1 578 . 7 1 1 A 51 51 LEU HA H 51 4.050 4.039 0.011 1
1 588 . 7 1 1 A 51 51 LEU CA C 51 57.600 58.075 -0.475 1
1 589 . 7 1 1 A 51 51 LEU CB C 51 42.400 41.481 0.919 1
1 593 . 7 1 1 A 51 51 LEU N N 51 120.600 119.200 1.400 1
1 594 . 7 1 1 A 52 52 ILE H H 52 7.850 8.275 -0.425 1
1 595 . 7 1 1 A 52 52 ILE HA H 52 3.440 3.483 -0.043 1
1 605 . 7 1 1 A 52 52 ILE CA C 52 65.200 64.757 0.443 1
1 606 . 7 1 1 A 52 52 ILE CB C 52 36.700 37.394 -0.694 1
1 610 . 7 1 1 A 52 52 ILE N N 52 118.600 120.236 -1.636 1
1 611 . 7 1 1 A 53 53 MET H H 53 8.540 8.231 0.309 1
1 612 . 7 1 1 A 53 53 MET HA H 53 4.040 4.156 -0.116 1
1 620 . 7 1 1 A 53 53 MET CA C 53 59.000 59.283 -0.283 1
1 621 . 7 1 1 A 53 53 MET CB C 53 31.300 33.039 -1.739 1
1 624 . 7 1 1 A 53 53 MET N N 53 118.600 118.789 -0.189 1
1 625 . 7 1 1 A 54 54 LYS H H 54 7.620 7.676 -0.056 1
1 626 . 7 1 1 A 54 54 LYS HA H 54 4.140 4.134 0.006 1
1 635 . 7 1 1 A 54 54 LYS CA C 54 59.200 59.002 0.198 1
1 636 . 7 1 1 A 54 54 LYS CB C 54 32.300 32.625 -0.325 1
1 640 . 7 1 1 A 54 54 LYS N N 54 119.100 118.884 0.216 1
1 641 . 7 1 1 A 55 55 VAL H H 55 7.560 7.607 -0.047 1
1 642 . 7 1 1 A 55 55 VAL HA H 55 3.670 3.641 0.029 1
1 650 . 7 1 1 A 55 55 VAL CA C 55 65.600 66.099 -0.499 1
1 651 . 7 1 1 A 55 55 VAL CB C 55 31.900 31.717 0.183 1
1 654 . 7 1 1 A 55 55 VAL N N 55 117.200 119.781 -2.581 1
1 655 . 7 1 1 A 56 56 LEU H H 56 7.790 7.938 -0.148 1
1 656 . 7 1 1 A 56 56 LEU HA H 56 3.900 3.932 -0.032 1
1 666 . 7 1 1 A 56 56 LEU CA C 56 56.400 57.250 -0.850 1
1 667 . 7 1 1 A 56 56 LEU CB C 56 42.700 41.813 0.887 1
1 671 . 7 1 1 A 56 56 LEU N N 56 114.400 119.157 -4.757 1
1 672 . 7 1 1 A 57 57 ASP H H 57 8.850 8.033 0.817 1
1 673 . 7 1 1 A 57 57 ASP HA H 57 4.140 4.550 -0.410 1
1 676 . 7 1 1 A 57 57 ASP CA C 57 59.100 59.348 -0.248 1
1 677 . 7 1 1 A 57 57 ASP CB C 57 38.200 38.075 0.125 1
1 678 . 7 1 1 A 57 57 ASP N N 57 120.500 121.442 -0.942 1
1 679 . 7 1 1 A 58 58 PRO HA H 58 4.520 4.467 0.053 1
1 686 . 7 1 1 A 58 58 PRO CA C 58 65.300 65.125 0.175 1
1 687 . 7 1 1 A 58 58 PRO CB C 58 31.700 31.289 0.411 1
1 690 . 7 1 1 A 59 59 ILE H H 59 7.400 7.314 0.086 1
1 691 . 7 1 1 A 59 59 ILE HA H 59 4.060 3.897 0.163 1
1 701 . 7 1 1 A 59 59 ILE CA C 59 62.300 63.850 -1.550 1
1 702 . 7 1 1 A 59 59 ILE CB C 59 39.300 36.800 2.500 1
1 706 . 7 1 1 A 59 59 ILE N N 59 113.300 116.276 -2.976 1
1 707 . 7 1 1 A 60 60 TRP H H 60 8.000 8.254 -0.254 1
1 708 . 7 1 1 A 60 60 TRP HA H 60 3.830 4.465 -0.635 1
1 717 . 7 1 1 A 60 60 TRP CA C 60 61.300 59.861 1.439 1
1 718 . 7 1 1 A 60 60 TRP CB C 60 29.700 29.424 0.276 1
1 724 . 7 1 1 A 60 60 TRP N N 60 120.900 120.749 0.151 1
1 726 . 7 1 1 A 61 61 GLU H H 61 7.840 8.424 -0.584 1
1 727 . 7 1 1 A 61 61 GLU HA H 61 4.110 4.286 -0.176 1
1 732 . 7 1 1 A 61 61 GLU CA C 61 58.100 58.750 -0.650 1
1 733 . 7 1 1 A 61 61 GLU CB C 61 29.500 29.525 -0.025 1
1 735 . 7 1 1 A 61 61 GLU N N 61 112.300 120.214 -7.914 1
1 736 . 7 1 1 A 62 62 GLN H H 62 7.710 7.699 0.011 1
1 737 . 7 1 1 A 62 62 GLN HA H 62 4.400 4.458 -0.058 1
1 744 . 7 1 1 A 62 62 GLN CA C 62 57.200 57.355 -0.155 1
1 745 . 7 1 1 A 62 62 GLN CB C 62 30.800 30.023 0.777 1
1 747 . 7 1 1 A 62 62 GLN N N 62 115.200 117.614 -2.414 1
1 749 . 7 1 1 A 63 63 LYS H H 63 8.500 8.194 0.306 1
1 750 . 7 1 1 A 63 63 LYS HA H 63 4.860 4.739 0.121 1
1 759 . 7 1 1 A 63 63 LYS CA C 63 53.300 53.882 -0.582 1
1 760 . 7 1 1 A 63 63 LYS CB C 63 33.800 32.688 1.112 1
1 764 . 7 1 1 A 63 63 LYS N N 63 117.800 119.020 -1.220 1
1 765 . 7 1 1 A 64 64 PRO HA H 64 4.110 4.393 -0.283 1
1 772 . 7 1 1 A 64 64 PRO CA C 64 66.000 65.836 0.164 1
1 773 . 7 1 1 A 64 64 PRO CB C 64 31.500 31.930 -0.430 1
1 776 . 7 1 1 A 65 65 GLU H H 65 8.680 8.223 0.457 1
1 777 . 7 1 1 A 65 65 GLU HA H 65 4.120 4.128 -0.008 1
1 782 . 7 1 1 A 65 65 GLU CA C 65 59.300 59.650 -0.350 1
1 783 . 7 1 1 A 65 65 GLU CB C 65 28.500 29.252 -0.752 1
1 785 . 7 1 1 A 65 65 GLU N N 65 117.800 118.501 -0.701 1
1 786 . 7 1 1 A 66 66 THR H H 66 7.370 7.905 -0.535 1
1 787 . 7 1 1 A 66 66 THR HA H 66 3.820 3.751 0.069 1
1 792 . 7 1 1 A 66 66 THR CA C 66 66.200 66.373 -0.173 1
1 793 . 7 1 1 A 66 66 THR CB C 66 68.200 68.518 -0.318 1
1 795 . 7 1 1 A 66 66 THR N N 66 117.800 116.788 1.012 1
1 796 . 7 1 1 A 67 67 ALA H H 67 7.890 8.327 -0.437 1
1 797 . 7 1 1 A 67 67 ALA HA H 67 3.380 3.564 -0.184 1
1 801 . 7 1 1 A 67 67 ALA CA C 67 55.200 54.919 0.281 1
1 802 . 7 1 1 A 67 67 ALA CB C 67 17.400 17.027 0.373 1
1 803 . 7 1 1 A 67 67 ALA N N 67 123.900 123.856 0.044 1
1 804 . 7 1 1 A 68 68 SER H H 68 7.920 7.386 0.534 1
1 805 . 7 1 1 A 68 68 SER HA H 68 4.070 4.125 -0.055 1
1 808 . 7 1 1 A 68 68 SER CA C 68 61.200 61.391 -0.191 1
1 809 . 7 1 1 A 68 68 SER CB C 68 62.700 63.016 -0.316 1
1 810 . 7 1 1 A 68 68 SER N N 68 111.500 113.159 -1.659 1
1 811 . 7 1 1 A 69 69 ARG H H 69 7.840 7.725 0.115 1
1 812 . 7 1 1 A 69 69 ARG HA H 69 4.010 4.024 -0.014 1
1 819 . 7 1 1 A 69 69 ARG CA C 69 58.700 58.600 0.100 1
1 820 . 7 1 1 A 69 69 ARG CB C 69 30.000 29.555 0.445 1
1 823 . 7 1 1 A 69 69 ARG N N 69 121.200 121.466 -0.266 1
1 824 . 7 1 1 A 70 70 LEU H H 70 8.490 8.563 -0.073 1
1 825 . 7 1 1 A 70 70 LEU HA H 70 3.740 3.834 -0.094 1
1 835 . 7 1 1 A 70 70 LEU CA C 70 57.500 57.542 -0.042 1
1 836 . 7 1 1 A 70 70 LEU CB C 70 41.100 41.493 -0.393 1
1 840 . 7 1 1 A 70 70 LEU N N 70 121.100 120.847 0.253 1
1 841 . 7 1 1 A 71 71 ARG H H 71 8.460 8.195 0.265 1
1 842 . 7 1 1 A 71 71 ARG HA H 71 3.540 3.853 -0.313 1
1 850 . 7 1 1 A 71 71 ARG CA C 71 60.700 59.524 1.176 1
1 851 . 7 1 1 A 71 71 ARG CB C 71 28.000 29.602 -1.602 1
1 854 . 7 1 1 A 71 71 ARG N N 71 119.800 118.483 1.317 1
1 856 . 7 1 1 A 72 72 GLY H H 72 7.530 8.279 -0.749 1
1 857 . 7 1 1 A 72 72 GLY HA2 H 72 3.980 3.744 0.236 1
1 858 . 7 1 1 A 72 72 GLY HA3 H 72 3.870 3.767 0.103 1
1 859 . 7 1 1 A 72 72 GLY CA C 72 47.100 47.231 -0.131 1
1 860 . 7 1 1 A 72 72 GLY N N 72 103.400 107.038 -3.638 1
1 861 . 7 1 1 A 73 73 ARG H H 73 7.800 8.167 -0.367 1
1 862 . 7 1 1 A 73 73 ARG HA H 73 3.930 3.942 -0.012 1
1 869 . 7 1 1 A 73 73 ARG CA C 73 59.400 59.353 0.047 1
1 870 . 7 1 1 A 73 73 ARG CB C 73 29.500 29.756 -0.256 1
1 873 . 7 1 1 A 73 73 ARG N N 73 122.800 121.541 1.259 1
1 874 . 7 1 1 A 74 74 ILE H H 74 8.420 8.043 0.377 1
1 875 . 7 1 1 A 74 74 ILE HA H 74 3.440 3.776 -0.336 1
1 885 . 7 1 1 A 74 74 ILE CA C 74 66.500 65.425 1.075 1
1 886 . 7 1 1 A 74 74 ILE CB C 74 38.300 37.213 1.087 1
1 890 . 7 1 1 A 74 74 ILE N N 74 118.800 121.101 -2.301 1
1 891 . 7 1 1 A 75 75 GLU H H 75 8.620 8.839 -0.219 1
1 892 . 7 1 1 A 75 75 GLU HA H 75 3.840 3.931 -0.091 1
1 897 . 7 1 1 A 75 75 GLU CA C 75 59.900 59.852 0.048 1
1 898 . 7 1 1 A 75 75 GLU CB C 75 29.400 29.589 -0.189 1
1 900 . 7 1 1 A 75 75 GLU N N 75 119.200 122.161 -2.961 1
1 901 . 7 1 1 A 76 76 SER H H 76 8.380 7.549 0.831 1
1 902 . 7 1 1 A 76 76 SER HA H 76 4.460 4.253 0.207 1
1 905 . 7 1 1 A 76 76 SER CA C 76 62.900 61.593 1.307 1
1 906 . 7 1 1 A 76 76 SER CB C 76 63.000 63.044 -0.044 1
1 907 . 7 1 1 A 76 76 SER N N 76 116.000 114.400 1.600 1
1 908 . 7 1 1 A 77 77 VAL H H 77 8.190 7.680 0.510 1
1 909 . 7 1 1 A 77 77 VAL HA H 77 3.290 3.335 -0.045 1
1 917 . 7 1 1 A 77 77 VAL CA C 77 66.800 66.769 0.031 1
1 918 . 7 1 1 A 77 77 VAL CB C 77 31.400 31.330 0.070 1
1 921 . 7 1 1 A 77 77 VAL N N 77 122.800 121.031 1.769 1
1 922 . 7 1 1 A 78 78 LEU H H 78 8.590 8.751 -0.161 1
1 923 . 7 1 1 A 78 78 LEU HA H 78 4.270 4.035 0.235 1
1 933 . 7 1 1 A 78 78 LEU CA C 78 57.800 58.270 -0.470 1
1 934 . 7 1 1 A 78 78 LEU CB C 78 40.900 40.918 -0.018 1
1 938 . 7 1 1 A 78 78 LEU N N 78 116.900 118.916 -2.016 1
1 939 . 7 1 1 A 79 79 ASP H H 79 8.790 8.570 0.220 1
1 940 . 7 1 1 A 79 79 ASP HA H 79 4.730 4.349 0.381 1
1 943 . 7 1 1 A 79 79 ASP CA C 79 57.900 57.371 0.529 1
1 944 . 7 1 1 A 79 79 ASP CB C 79 40.400 41.625 -1.225 1
1 945 . 7 1 1 A 79 79 ASP N N 79 123.800 118.976 4.824 1
1 946 . 7 1 1 A 80 80 TRP H H 80 8.210 8.407 -0.197 1
1 947 . 7 1 1 A 80 80 TRP HA H 80 4.380 4.379 0.001 1
1 956 . 7 1 1 A 80 80 TRP CA C 80 61.600 61.418 0.182 1
1 957 . 7 1 1 A 80 80 TRP CB C 80 29.100 29.533 -0.433 1
1 963 . 7 1 1 A 80 80 TRP N N 80 123.700 121.625 2.075 1
1 965 . 7 1 1 A 81 81 ALA H H 81 8.980 8.696 0.284 1
1 966 . 7 1 1 A 81 81 ALA HA H 81 3.850 3.965 -0.115 1
1 970 . 7 1 1 A 81 81 ALA CA C 81 54.500 55.228 -0.728 1
1 971 . 7 1 1 A 81 81 ALA CB C 81 19.600 18.081 1.519 1
1 972 . 7 1 1 A 81 81 ALA N N 81 118.400 121.335 -2.935 1
1 973 . 7 1 1 A 82 82 THR H H 82 7.990 7.901 0.089 1
1 974 . 7 1 1 A 82 82 THR HA H 82 4.310 4.388 -0.078 1
1 979 . 7 1 1 A 82 82 THR CA C 82 65.800 66.553 -0.753 1
1 980 . 7 1 1 A 82 82 THR CB C 82 68.800 68.307 0.493 1
1 982 . 7 1 1 A 82 82 THR N N 82 116.400 115.072 1.328 1
1 983 . 7 1 1 A 83 83 VAL H H 83 7.970 7.894 0.076 1
1 984 . 7 1 1 A 83 83 VAL HA H 83 3.720 3.496 0.224 1
1 992 . 7 1 1 A 83 83 VAL CA C 83 65.900 66.819 -0.919 1
1 993 . 7 1 1 A 83 83 VAL CB C 83 31.400 31.342 0.058 1
1 996 . 7 1 1 A 83 83 VAL N N 83 123.700 121.777 1.923 1
1 997 . 7 1 1 A 84 84 ARG H H 84 7.300 7.628 -0.328 1
1 998 . 7 1 1 A 84 84 ARG HA H 84 3.740 3.799 -0.059 1
1 1005 . 7 1 1 A 84 84 ARG CA C 84 55.300 55.944 -0.644 1
1 1006 . 7 1 1 A 84 84 ARG CB C 84 29.400 29.723 -0.323 1
1 1009 . 7 1 1 A 84 84 ARG N N 84 115.400 118.001 -2.601 1
1 1010 . 7 1 1 A 85 85 GLY H H 85 7.510 7.504 0.006 1
1 1011 . 7 1 1 A 85 85 GLY HA2 H 85 4.010 3.796 0.214 1
1 1012 . 7 1 1 A 85 85 GLY HA3 H 85 3.830 3.869 -0.039 1
1 1013 . 7 1 1 A 85 85 GLY CA C 85 45.400 45.420 -0.020 1
1 1014 . 7 1 1 A 85 85 GLY N N 85 105.600 107.396 -1.796 1
1 1015 . 7 1 1 A 86 86 TYR H H 86 8.120 7.946 0.174 1
1 1016 . 7 1 1 A 86 86 TYR HA H 86 4.740 4.409 0.331 1
1 1023 . 7 1 1 A 86 86 TYR CA C 86 55.800 59.377 -3.577 1
1 1024 . 7 1 1 A 86 86 TYR CB C 86 38.000 38.953 -0.953 1
1 1027 . 7 1 1 A 86 86 TYR N N 86 118.700 119.290 -0.590 1
1 1028 . 7 1 1 A 87 87 ARG H H 87 7.500 7.475 0.025 1
1 1029 . 7 1 1 A 87 87 ARG HA H 87 4.710 4.835 -0.125 1
1 1037 . 7 1 1 A 87 87 ARG CA C 87 54.100 54.748 -0.648 1
1 1038 . 7 1 1 A 87 87 ARG CB C 87 31.900 33.347 -1.447 1
1 1041 . 7 1 1 A 87 87 ARG N N 87 111.200 116.344 -5.144 1
1 1043 . 7 1 1 A 88 88 GLU H H 88 9.190 8.750 0.440 1
1 1044 . 7 1 1 A 88 88 GLU HA H 88 4.760 5.010 -0.250 1
1 1049 . 7 1 1 A 88 88 GLU CA C 88 54.800 54.839 -0.039 1
1 1050 . 7 1 1 A 88 88 GLU CB C 88 32.500 33.261 -0.761 1
1 1052 . 7 1 1 A 88 88 GLU N N 88 118.800 119.789 -0.989 1
1 1053 . 7 1 1 A 89 89 GLY H H 89 8.580 8.250 0.330 1
1 1054 . 7 1 1 A 89 89 GLY HA2 H 89 3.850 4.100 -0.250 1
1 1055 . 7 1 1 A 89 89 GLY HA3 H 89 4.500 4.102 0.398 1
1 1056 . 7 1 1 A 89 89 GLY CA C 89 43.700 44.731 -1.031 1
1 1057 . 7 1 1 A 89 89 GLY N N 89 107.900 108.721 -0.821 1
1 1058 . 7 1 1 A 90 90 ASP H H 90 8.630 8.525 0.105 1
1 1059 . 7 1 1 A 90 90 ASP HA H 90 4.480 5.115 -0.635 1
1 1062 . 7 1 1 A 90 90 ASP CA C 90 54.600 52.844 1.756 1
1 1063 . 7 1 1 A 90 90 ASP CB C 90 40.500 43.864 -3.364 1
1 1064 . 7 1 1 A 90 90 ASP N N 90 120.700 121.974 -1.274 1
1 1065 . 7 1 1 A 91 91 ASN H H 91 8.930 8.670 0.260 1
1 1066 . 7 1 1 A 91 91 ASN HA H 91 4.580 5.322 -0.742 1
1 1071 . 7 1 1 A 91 91 ASN CA C 91 51.100 50.226 0.874 1
1 1072 . 7 1 1 A 91 91 ASN CB C 91 39.100 39.137 -0.037 1
1 1073 . 7 1 1 A 91 91 ASN N N 91 122.700 118.994 3.706 1
1 1075 . 7 1 1 A 92 92 PRO HA H 92 4.490 4.110 0.380 1
1 1082 . 7 1 1 A 92 92 PRO CA C 92 63.500 63.869 -0.369 1
1 1083 . 7 1 1 A 92 92 PRO CB C 92 32.300 31.659 0.641 1
1 1086 . 7 1 1 A 93 93 ALA H H 93 8.610 8.051 0.559 1
1 1087 . 7 1 1 A 93 93 ALA HA H 93 4.450 3.675 0.775 1
1 1091 . 7 1 1 A 93 93 ALA CA C 93 52.000 52.062 -0.062 1
1 1092 . 7 1 1 A 93 93 ALA CB C 93 18.100 19.080 -0.980 1
1 1093 . 7 1 1 A 93 93 ALA N N 93 120.500 120.163 0.337 1
1 1094 . 7 1 1 A 94 94 ARG H H 94 7.280 7.534 -0.254 1
1 1095 . 7 1 1 A 94 94 ARG HA H 94 3.830 4.359 -0.529 1
1 1102 . 7 1 1 A 94 94 ARG CA C 94 55.500 57.470 -1.970 1
1 1103 . 7 1 1 A 94 94 ARG CB C 94 30.500 31.906 -1.406 1
1 1106 . 7 1 1 A 94 94 ARG N N 94 118.100 116.781 1.319 1
1 1107 . 7 1 1 A 95 95 TRP H H 95 7.310 7.185 0.125 1
1 1108 . 7 1 1 A 95 95 TRP HA H 95 4.610 4.766 -0.156 1
1 1117 . 7 1 1 A 95 95 TRP CA C 95 55.200 58.602 -3.402 1
1 1118 . 7 1 1 A 95 95 TRP CB C 95 29.500 28.354 1.146 1
1 1124 . 7 1 1 A 95 95 TRP N N 95 121.200 119.124 2.076 1
1 1126 . 7 1 1 A 96 96 ARG H H 96 8.380 9.053 -0.673 1
1 1127 . 7 1 1 A 96 96 ARG HA H 96 4.140 4.556 -0.416 1
1 1134 . 7 1 1 A 96 96 ARG CA C 96 57.200 56.687 0.513 1
1 1135 . 7 1 1 A 96 96 ARG CB C 96 29.900 32.200 -2.300 1
1 1138 . 7 1 1 A 96 96 ARG N N 96 122.100 124.701 -2.601 1
1 1139 . 7 1 1 A 97 97 GLY H H 97 7.920 7.638 0.282 1
1 1140 . 7 1 1 A 97 97 GLY HA2 H 97 3.710 4.167 -0.457 1
1 1141 . 7 1 1 A 97 97 GLY HA3 H 97 3.630 4.171 -0.541 1
1 1142 . 7 1 1 A 97 97 GLY CA C 97 45.700 45.556 0.144 1
1 1143 . 7 1 1 A 97 97 GLY N N 97 110.500 106.844 3.656 1
1 1144 . 7 1 1 A 98 98 TYR H H 98 7.770 8.716 -0.946 1
1 1145 . 7 1 1 A 98 98 TYR HA H 98 4.090 4.153 -0.063 1
1 1152 . 7 1 1 A 98 98 TYR CA C 98 59.900 60.273 -0.373 1
1 1153 . 7 1 1 A 98 98 TYR CB C 98 37.100 38.902 -1.802 1
1 1156 . 7 1 1 A 98 98 TYR N N 98 120.400 125.229 -4.829 1
1 1157 . 7 1 1 A 99 99 LEU H H 99 7.820 7.513 0.307 1
1 1158 . 7 1 1 A 99 99 LEU HA H 99 3.890 3.815 0.075 1
1 1168 . 7 1 1 A 99 99 LEU CA C 99 55.600 55.793 -0.193 1
1 1169 . 7 1 1 A 99 99 LEU CB C 99 41.600 42.927 -1.327 1
1 1173 . 7 1 1 A 99 99 LEU N N 99 120.700 118.879 1.821 1
1 1174 . 7 1 1 A 100 100 GLU H H 100 7.680 7.644 0.036 1
1 1175 . 7 1 1 A 100 100 GLU HA H 100 3.900 4.532 -0.632 1
1 1180 . 7 1 1 A 100 100 GLU CA C 100 56.500 54.888 1.612 1
1 1181 . 7 1 1 A 100 100 GLU CB C 100 29.500 32.728 -3.228 1
1 13 . 8 1 1 A 2 2 THR H H 2 9.230 8.438 0.792 1
1 14 . 8 1 1 A 2 2 THR HA H 2 5.080 4.797 0.283 1
1 19 . 8 1 1 A 2 2 THR CA C 2 61.000 60.435 0.565 1
1 20 . 8 1 1 A 2 2 THR CB C 2 70.800 71.390 -0.590 1
1 22 . 8 1 1 A 2 2 THR N N 2 119.100 115.486 3.614 1
1 23 . 8 1 1 A 3 3 PHE H H 3 9.290 9.724 -0.434 1
1 24 . 8 1 1 A 3 3 PHE HA H 3 3.880 4.114 -0.234 1
1 32 . 8 1 1 A 3 3 PHE CA C 3 63.900 62.225 1.675 1
1 33 . 8 1 1 A 3 3 PHE CB C 3 38.800 39.306 -0.506 1
1 37 . 8 1 1 A 3 3 PHE N N 3 122.600 123.708 -1.108 1
1 38 . 8 1 1 A 4 4 SER H H 4 9.930 8.808 1.122 1
1 39 . 8 1 1 A 4 4 SER HA H 4 4.000 4.022 -0.022 1
1 42 . 8 1 1 A 4 4 SER CA C 4 62.800 61.654 1.146 1
1 43 . 8 1 1 A 4 4 SER CB C 4 62.600 62.910 -0.310 1
1 44 . 8 1 1 A 4 4 SER N N 4 116.300 114.011 2.289 1
1 45 . 8 1 1 A 5 5 GLU H H 5 7.980 7.307 0.673 1
1 46 . 8 1 1 A 5 5 GLU HA H 5 3.990 4.045 -0.055 1
1 51 . 8 1 1 A 5 5 GLU CA C 5 58.800 58.966 -0.166 1
1 52 . 8 1 1 A 5 5 GLU CB C 5 29.700 29.744 -0.044 1
1 54 . 8 1 1 A 5 5 GLU N N 5 122.800 121.232 1.568 1
1 55 . 8 1 1 A 6 6 CYS H H 6 8.430 8.085 0.345 1
1 56 . 8 1 1 A 6 6 CYS HA H 6 4.120 4.108 0.012 1
1 59 . 8 1 1 A 6 6 CYS CA C 6 63.300 61.809 1.491 1
1 60 . 8 1 1 A 6 6 CYS CB C 6 27.100 26.918 0.182 1
1 61 . 8 1 1 A 6 6 CYS N N 6 120.100 119.485 0.615 1
1 62 . 8 1 1 A 7 7 ALA H H 7 8.770 8.270 0.500 1
1 63 . 8 1 1 A 7 7 ALA HA H 7 3.790 3.809 -0.019 1
1 67 . 8 1 1 A 7 7 ALA CA C 7 55.200 54.855 0.345 1
1 68 . 8 1 1 A 7 7 ALA CB C 7 17.400 17.895 -0.495 1
1 69 . 8 1 1 A 7 7 ALA N N 7 120.400 122.000 -1.600 1
1 70 . 8 1 1 A 8 8 ALA H H 8 7.800 7.823 -0.023 1
1 71 . 8 1 1 A 8 8 ALA HA H 8 4.130 4.115 0.015 1
1 75 . 8 1 1 A 8 8 ALA CA C 8 55.200 54.993 0.207 1
1 76 . 8 1 1 A 8 8 ALA CB C 8 17.700 17.869 -0.169 1
1 77 . 8 1 1 A 8 8 ALA N N 8 119.200 120.562 -1.362 1
1 78 . 8 1 1 A 9 9 LEU H H 9 8.120 8.122 -0.002 1
1 79 . 8 1 1 A 9 9 LEU HA H 9 4.080 3.908 0.172 1
1 89 . 8 1 1 A 9 9 LEU CA C 9 57.700 57.804 -0.104 1
1 90 . 8 1 1 A 9 9 LEU CB C 9 42.000 41.953 0.047 1
1 94 . 8 1 1 A 9 9 LEU N N 9 120.300 118.914 1.386 1
1 95 . 8 1 1 A 10 10 TYR H H 10 8.700 8.139 0.561 1
1 96 . 8 1 1 A 10 10 TYR HA H 10 2.330 3.020 -0.690 1
1 103 . 8 1 1 A 10 10 TYR CA C 10 62.000 60.953 1.047 1
1 104 . 8 1 1 A 10 10 TYR CB C 10 38.100 38.139 -0.039 1
1 107 . 8 1 1 A 10 10 TYR N N 10 122.900 118.460 4.440 1
1 108 . 8 1 1 A 11 11 ILE H H 11 8.600 8.297 0.303 1
1 109 . 8 1 1 A 11 11 ILE HA H 11 3.270 3.460 -0.190 1
1 119 . 8 1 1 A 11 11 ILE CA C 11 65.600 65.010 0.590 1
1 120 . 8 1 1 A 11 11 ILE CB C 11 38.200 37.785 0.415 1
1 124 . 8 1 1 A 11 11 ILE N N 11 123.900 121.140 2.760 1
1 125 . 8 1 1 A 12 12 LYS H H 12 7.910 8.559 -0.649 1
1 126 . 8 1 1 A 12 12 LYS HA H 12 3.870 4.066 -0.196 1
1 135 . 8 1 1 A 12 12 LYS CA C 12 59.900 59.203 0.697 1
1 136 . 8 1 1 A 12 12 LYS CB C 12 32.600 32.415 0.185 1
1 140 . 8 1 1 A 12 12 LYS N N 12 120.600 119.369 1.231 1
1 141 . 8 1 1 A 13 13 ALA H H 13 7.790 7.797 -0.007 1
1 142 . 8 1 1 A 13 13 ALA HA H 13 4.100 3.944 0.156 1
1 146 . 8 1 1 A 13 13 ALA CA C 13 53.200 54.428 -1.228 1
1 147 . 8 1 1 A 13 13 ALA CB C 13 18.200 17.702 0.498 1
1 148 . 8 1 1 A 13 13 ALA N N 13 118.100 120.986 -2.886 1
1 149 . 8 1 1 A 14 14 HIS H H 14 7.160 7.182 -0.022 1
1 150 . 8 1 1 A 14 14 HIS HA H 14 3.990 4.114 -0.124 1
1 155 . 8 1 1 A 14 14 HIS CA C 14 56.500 54.981 1.519 1
1 156 . 8 1 1 A 14 14 HIS CB C 14 27.000 28.481 -1.481 1
1 159 . 8 1 1 A 14 14 HIS N N 14 113.200 114.520 -1.320 1
1 160 . 8 1 1 A 15 15 ARG H H 15 7.420 7.510 -0.090 1
1 161 . 8 1 1 A 15 15 ARG HA H 15 3.760 3.839 -0.079 1
1 168 . 8 1 1 A 15 15 ARG CA C 15 59.800 59.714 0.086 1
1 169 . 8 1 1 A 15 15 ARG CB C 15 29.800 30.108 -0.308 1
1 172 . 8 1 1 A 15 15 ARG N N 15 121.100 120.115 0.985 1
1 173 . 8 1 1 A 16 16 SER H H 16 8.540 7.826 0.714 1
1 174 . 8 1 1 A 16 16 SER HA H 16 4.230 4.114 0.116 1
1 177 . 8 1 1 A 16 16 SER CA C 16 60.800 61.678 -0.878 1
1 178 . 8 1 1 A 16 16 SER CB C 16 62.200 62.917 -0.717 1
1 179 . 8 1 1 A 16 16 SER N N 16 114.100 116.590 -2.490 1
1 180 . 8 1 1 A 17 17 SER H H 17 7.680 7.758 -0.078 1
1 181 . 8 1 1 A 17 17 SER HA H 17 4.370 4.327 0.043 1
1 184 . 8 1 1 A 17 17 SER CA C 17 59.800 61.294 -1.494 1
1 185 . 8 1 1 A 17 17 SER CB C 17 63.100 63.292 -0.192 1
1 186 . 8 1 1 A 17 17 SER N N 17 116.700 117.119 -0.419 1
1 187 . 8 1 1 A 18 18 TRP H H 18 7.640 7.784 -0.144 1
1 188 . 8 1 1 A 18 18 TRP HA H 18 4.990 4.998 -0.008 1
1 197 . 8 1 1 A 18 18 TRP CA C 18 55.200 55.584 -0.384 1
1 198 . 8 1 1 A 18 18 TRP CB C 18 29.500 27.622 1.878 1
1 204 . 8 1 1 A 18 18 TRP N N 18 121.200 119.121 2.079 1
1 206 . 8 1 1 A 19 19 LYS H H 19 7.920 7.659 0.261 1
1 207 . 8 1 1 A 19 19 LYS HA H 19 4.180 5.078 -0.898 1
1 216 . 8 1 1 A 19 19 LYS CA C 19 58.100 54.725 3.375 1
1 217 . 8 1 1 A 19 19 LYS CB C 19 32.200 35.054 -2.854 1
1 221 . 8 1 1 A 19 19 LYS N N 19 121.100 122.156 -1.056 1
1 222 . 8 1 1 A 20 20 ASN H H 20 8.630 8.706 -0.076 1
1 223 . 8 1 1 A 20 20 ASN HA H 20 4.760 5.101 -0.341 1
1 228 . 8 1 1 A 20 20 ASN CA C 20 53.600 51.987 1.613 1
1 229 . 8 1 1 A 20 20 ASN CB C 20 38.200 38.041 0.159 1
1 230 . 8 1 1 A 20 20 ASN N N 20 116.500 122.191 -5.691 1
1 232 . 8 1 1 A 21 21 THR H H 21 8.320 7.714 0.606 1
1 233 . 8 1 1 A 21 21 THR HA H 21 4.470 4.221 0.249 1
1 238 . 8 1 1 A 21 21 THR CA C 21 62.500 62.650 -0.150 1
1 239 . 8 1 1 A 21 21 THR CB C 21 70.700 69.645 1.055 1
1 241 . 8 1 1 A 21 21 THR N N 21 113.700 112.177 1.523 1
1 242 . 8 1 1 A 22 22 LYS H H 22 8.440 9.049 -0.609 1
1 243 . 8 1 1 A 22 22 LYS HA H 22 4.500 4.541 -0.041 1
1 252 . 8 1 1 A 22 22 LYS CA C 22 56.700 56.516 0.184 1
1 253 . 8 1 1 A 22 22 LYS CB C 22 31.700 32.059 -0.359 1
1 257 . 8 1 1 A 22 22 LYS N N 22 120.900 124.129 -3.229 1
1 258 . 8 1 1 A 23 23 HIS H H 23 8.110 8.431 -0.321 1
1 259 . 8 1 1 A 23 23 HIS HA H 23 4.450 4.304 0.146 1
1 264 . 8 1 1 A 23 23 HIS CA C 23 57.300 58.860 -1.560 1
1 265 . 8 1 1 A 23 23 HIS CB C 23 27.900 28.771 -0.871 1
1 268 . 8 1 1 A 23 23 HIS N N 23 116.800 119.266 -2.466 1
1 269 . 8 1 1 A 24 24 ALA H H 24 8.490 7.889 0.601 1
1 270 . 8 1 1 A 24 24 ALA HA H 24 4.000 3.398 0.602 1
1 274 . 8 1 1 A 24 24 ALA CA C 24 55.700 54.953 0.747 1
1 275 . 8 1 1 A 24 24 ALA CB C 24 18.000 18.213 -0.213 1
1 276 . 8 1 1 A 24 24 ALA N N 24 121.700 123.498 -1.798 1
1 277 . 8 1 1 A 25 25 ASP H H 25 8.370 8.072 0.298 1
1 278 . 8 1 1 A 25 25 ASP HA H 25 4.450 4.357 0.093 1
1 281 . 8 1 1 A 25 25 ASP CA C 25 56.800 57.530 -0.730 1
1 282 . 8 1 1 A 25 25 ASP CB C 25 40.200 41.254 -1.054 1
1 283 . 8 1 1 A 25 25 ASP N N 25 119.100 118.500 0.600 1
1 284 . 8 1 1 A 26 26 GLN H H 26 8.020 7.796 0.224 1
1 285 . 8 1 1 A 26 26 GLN HA H 26 4.250 4.056 0.194 1
1 292 . 8 1 1 A 26 26 GLN CA C 26 58.600 59.169 -0.569 1
1 293 . 8 1 1 A 26 26 GLN CB C 26 28.500 28.350 0.150 1
1 295 . 8 1 1 A 26 26 GLN N N 26 119.500 117.529 1.971 1
1 297 . 8 1 1 A 27 27 TRP H H 27 8.610 8.611 -0.001 1
1 298 . 8 1 1 A 27 27 TRP HA H 27 3.840 4.425 -0.585 1
1 307 . 8 1 1 A 27 27 TRP CA C 27 62.400 59.461 2.939 1
1 308 . 8 1 1 A 27 27 TRP CB C 27 28.300 29.473 -1.173 1
1 314 . 8 1 1 A 27 27 TRP N N 27 122.000 120.946 1.054 1
1 316 . 8 1 1 A 28 28 THR H H 28 8.460 8.110 0.350 1
1 317 . 8 1 1 A 28 28 THR HA H 28 3.790 4.051 -0.261 1
1 322 . 8 1 1 A 28 28 THR CA C 28 67.000 67.385 -0.385 1
1 323 . 8 1 1 A 28 28 THR CB C 28 68.900 68.620 0.280 1
1 325 . 8 1 1 A 28 28 THR N N 28 114.800 115.095 -0.295 1
1 326 . 8 1 1 A 29 29 ASN H H 29 8.650 8.463 0.187 1
1 327 . 8 1 1 A 29 29 ASN HA H 29 4.530 4.474 0.056 1
1 332 . 8 1 1 A 29 29 ASN CA C 29 56.600 56.287 0.313 1
1 333 . 8 1 1 A 29 29 ASN CB C 29 38.400 38.318 0.082 1
1 334 . 8 1 1 A 29 29 ASN N N 29 118.500 118.530 -0.030 1
1 336 . 8 1 1 A 30 30 THR H H 30 8.170 8.350 -0.180 1
1 337 . 8 1 1 A 30 30 THR HA H 30 4.160 4.009 0.151 1
1 342 . 8 1 1 A 30 30 THR CA C 30 66.100 65.881 0.219 1
1 343 . 8 1 1 A 30 30 THR CB C 30 69.300 68.261 1.039 1
1 345 . 8 1 1 A 30 30 THR N N 30 113.100 112.698 0.402 1
1 346 . 8 1 1 A 31 31 ILE H H 31 8.030 7.788 0.242 1
1 347 . 8 1 1 A 31 31 ILE HA H 31 3.850 3.654 0.196 1
1 357 . 8 1 1 A 31 31 ILE CA C 31 65.200 65.677 -0.477 1
1 358 . 8 1 1 A 31 31 ILE CB C 31 36.300 37.726 -1.426 1
1 362 . 8 1 1 A 31 31 ILE N N 31 122.000 123.883 -1.883 1
1 363 . 8 1 1 A 32 32 LYS H H 32 8.320 8.308 0.012 1
1 364 . 8 1 1 A 32 32 LYS HA H 32 4.090 4.070 0.020 1
1 373 . 8 1 1 A 32 32 LYS CA C 32 60.500 59.517 0.983 1
1 374 . 8 1 1 A 32 32 LYS CB C 32 32.500 32.101 0.399 1
1 378 . 8 1 1 A 32 32 LYS N N 32 121.300 121.678 -0.378 1
1 379 . 8 1 1 A 33 33 THR H H 33 8.160 7.717 0.443 1
1 380 . 8 1 1 A 33 33 THR HA H 33 3.690 3.881 -0.191 1
1 385 . 8 1 1 A 33 33 THR CA C 33 66.500 66.350 0.150 1
1 386 . 8 1 1 A 33 33 THR CB C 33 69.200 68.866 0.334 1
1 388 . 8 1 1 A 33 33 THR N N 33 113.400 116.779 -3.379 1
1 389 . 8 1 1 A 34 34 TYR H H 34 7.640 8.023 -0.383 1
1 390 . 8 1 1 A 34 34 TYR HA H 34 4.670 4.316 0.354 1
1 397 . 8 1 1 A 34 34 TYR CA C 34 59.800 60.381 -0.581 1
1 398 . 8 1 1 A 34 34 TYR CB C 34 39.800 38.939 0.861 1
1 401 . 8 1 1 A 34 34 TYR N N 34 113.700 118.840 -5.140 1
1 402 . 8 1 1 A 35 35 CYS H H 35 8.170 8.217 -0.047 1
1 403 . 8 1 1 A 35 35 CYS HA H 35 4.470 4.582 -0.112 1
1 406 . 8 1 1 A 35 35 CYS CA C 35 60.700 60.464 0.236 1
1 407 . 8 1 1 A 35 35 CYS CB C 35 27.700 28.461 -0.761 1
1 408 . 8 1 1 A 35 35 CYS N N 35 113.100 118.425 -5.325 1
1 409 . 8 1 1 A 36 36 GLY H H 36 8.110 7.892 0.218 1
1 410 . 8 1 1 A 36 36 GLY HA2 H 36 3.880 3.797 0.083 1
1 411 . 8 1 1 A 36 36 GLY HA3 H 36 4.480 3.841 0.639 1
1 412 . 8 1 1 A 36 36 GLY CA C 36 49.400 48.208 1.192 1
1 413 . 8 1 1 A 36 36 GLY N N 36 110.800 110.398 0.402 1
1 414 . 8 1 1 A 37 37 PRO HA H 37 4.470 4.378 0.092 1
1 421 . 8 1 1 A 37 37 PRO CA C 37 64.400 64.763 -0.363 1
1 422 . 8 1 1 A 37 37 PRO CB C 37 32.700 31.370 1.330 1
1 425 . 8 1 1 A 38 38 VAL H H 38 7.270 7.734 -0.464 1
1 426 . 8 1 1 A 38 38 VAL HA H 38 4.190 3.871 0.319 1
1 434 . 8 1 1 A 38 38 VAL CA C 38 63.600 64.028 -0.428 1
1 435 . 8 1 1 A 38 38 VAL CB C 38 34.800 32.144 2.656 1
1 438 . 8 1 1 A 38 38 VAL N N 38 113.900 115.939 -2.039 1
1 439 . 8 1 1 A 39 39 ILE H H 39 7.590 7.788 -0.198 1
1 440 . 8 1 1 A 39 39 ILE HA H 39 4.590 4.412 0.178 1
1 450 . 8 1 1 A 39 39 ILE CA C 39 60.500 60.563 -0.063 1
1 451 . 8 1 1 A 39 39 ILE CB C 39 39.500 38.253 1.247 1
1 455 . 8 1 1 A 39 39 ILE N N 39 107.400 115.054 -7.654 1
1 456 . 8 1 1 A 40 40 GLY H H 40 7.670 8.073 -0.403 1
1 457 . 8 1 1 A 40 40 GLY HA2 H 40 4.040 3.917 0.123 1
1 458 . 8 1 1 A 40 40 GLY HA3 H 40 4.430 4.078 0.352 1
1 459 . 8 1 1 A 40 40 GLY CA C 40 49.400 48.270 1.130 1
1 460 . 8 1 1 A 40 40 GLY N N 40 109.200 112.447 -3.247 1
1 461 . 8 1 1 A 41 41 PRO HA H 41 4.770 4.531 0.239 1
1 468 . 8 1 1 A 41 41 PRO CA C 41 63.200 63.916 -0.716 1
1 469 . 8 1 1 A 41 41 PRO CB C 41 31.800 31.966 -0.166 1
1 472 . 8 1 1 A 42 42 LEU H H 42 7.540 7.667 -0.127 1
1 473 . 8 1 1 A 42 42 LEU HA H 42 4.320 4.409 -0.089 1
1 483 . 8 1 1 A 42 42 LEU CA C 42 54.000 54.086 -0.086 1
1 484 . 8 1 1 A 42 42 LEU CB C 42 42.000 43.043 -1.043 1
1 488 . 8 1 1 A 42 42 LEU N N 42 119.600 120.455 -0.855 1
1 489 . 8 1 1 A 43 43 SER H H 43 8.880 8.626 0.254 1
1 490 . 8 1 1 A 43 43 SER HA H 43 4.510 4.756 -0.246 1
1 493 . 8 1 1 A 43 43 SER CA C 43 58.600 59.414 -0.814 1
1 494 . 8 1 1 A 43 43 SER CB C 43 63.000 63.657 -0.657 1
1 495 . 8 1 1 A 43 43 SER N N 43 116.100 117.053 -0.953 1
1 496 . 8 1 1 A 44 44 VAL H H 44 9.020 9.155 -0.135 1
1 497 . 8 1 1 A 44 44 VAL HA H 44 3.920 4.128 -0.208 1
1 505 . 8 1 1 A 44 44 VAL CA C 44 65.900 64.810 1.090 1
1 506 . 8 1 1 A 44 44 VAL CB C 44 32.100 32.016 0.084 1
1 509 . 8 1 1 A 44 44 VAL N N 44 124.400 125.944 -1.544 1
1 510 . 8 1 1 A 45 45 GLN H H 45 8.700 8.038 0.662 1
1 511 . 8 1 1 A 45 45 GLN HA H 45 4.170 4.148 0.022 1
1 518 . 8 1 1 A 45 45 GLN CA C 45 57.400 58.640 -1.240 1
1 519 . 8 1 1 A 45 45 GLN CB C 45 29.000 28.367 0.633 1
1 521 . 8 1 1 A 45 45 GLN N N 45 120.500 121.335 -0.835 1
1 523 . 8 1 1 A 46 46 ASP H H 46 7.870 7.888 -0.018 1
1 524 . 8 1 1 A 46 46 ASP HA H 46 4.720 4.602 0.118 1
1 527 . 8 1 1 A 46 46 ASP CA C 46 54.400 55.650 -1.250 1
1 528 . 8 1 1 A 46 46 ASP CB C 46 40.800 41.298 -0.498 1
1 529 . 8 1 1 A 46 46 ASP N N 46 117.200 117.572 -0.372 1
1 530 . 8 1 1 A 47 47 VAL H H 47 6.970 7.054 -0.084 1
1 531 . 8 1 1 A 47 47 VAL HA H 47 3.490 3.852 -0.362 1
1 539 . 8 1 1 A 47 47 VAL CA C 47 65.200 62.956 2.244 1
1 540 . 8 1 1 A 47 47 VAL CB C 47 31.100 31.510 -0.410 1
1 543 . 8 1 1 A 47 47 VAL N N 47 118.500 120.563 -2.063 1
1 544 . 8 1 1 A 48 48 ASP H H 48 7.220 7.916 -0.696 1
1 545 . 8 1 1 A 48 48 ASP HA H 48 4.910 4.962 -0.052 1
1 548 . 8 1 1 A 48 48 ASP CA C 48 51.600 51.723 -0.123 1
1 549 . 8 1 1 A 48 48 ASP CB C 48 42.700 42.540 0.160 1
1 550 . 8 1 1 A 48 48 ASP N N 48 128.000 128.763 -0.763 1
1 551 . 8 1 1 A 49 49 THR H H 49 8.490 8.404 0.086 1
1 552 . 8 1 1 A 49 49 THR HA H 49 3.770 3.621 0.149 1
1 557 . 8 1 1 A 49 49 THR CA C 49 67.300 66.499 0.801 1
1 558 . 8 1 1 A 49 49 THR CB C 49 68.900 68.571 0.329 1
1 560 . 8 1 1 A 49 49 THR N N 49 115.800 111.578 4.222 1
1 561 . 8 1 1 A 50 50 LYS H H 50 7.860 7.904 -0.044 1
1 562 . 8 1 1 A 50 50 LYS HA H 50 3.860 4.019 -0.159 1
1 571 . 8 1 1 A 50 50 LYS CA C 50 60.000 59.441 0.559 1
1 572 . 8 1 1 A 50 50 LYS CB C 50 31.600 31.840 -0.240 1
1 576 . 8 1 1 A 50 50 LYS N N 50 120.500 120.885 -0.385 1
1 577 . 8 1 1 A 51 51 LEU H H 51 8.190 7.988 0.202 1
1 578 . 8 1 1 A 51 51 LEU HA H 51 4.050 4.016 0.034 1
1 588 . 8 1 1 A 51 51 LEU CA C 51 57.600 58.182 -0.582 1
1 589 . 8 1 1 A 51 51 LEU CB C 51 42.400 41.679 0.721 1
1 593 . 8 1 1 A 51 51 LEU N N 51 120.600 119.025 1.575 1
1 594 . 8 1 1 A 52 52 ILE H H 52 7.850 7.963 -0.113 1
1 595 . 8 1 1 A 52 52 ILE HA H 52 3.440 3.493 -0.053 1
1 605 . 8 1 1 A 52 52 ILE CA C 52 65.200 64.702 0.498 1
1 606 . 8 1 1 A 52 52 ILE CB C 52 36.700 37.371 -0.671 1
1 610 . 8 1 1 A 52 52 ILE N N 52 118.600 119.745 -1.145 1
1 611 . 8 1 1 A 53 53 MET H H 53 8.540 8.231 0.309 1
1 612 . 8 1 1 A 53 53 MET HA H 53 4.040 4.350 -0.310 1
1 620 . 8 1 1 A 53 53 MET CA C 53 59.000 59.373 -0.373 1
1 621 . 8 1 1 A 53 53 MET CB C 53 31.300 32.862 -1.562 1
1 624 . 8 1 1 A 53 53 MET N N 53 118.600 118.329 0.271 1
1 625 . 8 1 1 A 54 54 LYS H H 54 7.620 7.679 -0.059 1
1 626 . 8 1 1 A 54 54 LYS HA H 54 4.140 4.105 0.035 1
1 635 . 8 1 1 A 54 54 LYS CA C 54 59.200 59.044 0.156 1
1 636 . 8 1 1 A 54 54 LYS CB C 54 32.300 32.605 -0.305 1
1 640 . 8 1 1 A 54 54 LYS N N 54 119.100 119.097 0.003 1
1 641 . 8 1 1 A 55 55 VAL H H 55 7.560 7.866 -0.306 1
1 642 . 8 1 1 A 55 55 VAL HA H 55 3.670 3.677 -0.007 1
1 650 . 8 1 1 A 55 55 VAL CA C 55 65.600 66.411 -0.811 1
1 651 . 8 1 1 A 55 55 VAL CB C 55 31.900 31.497 0.403 1
1 654 . 8 1 1 A 55 55 VAL N N 55 117.200 120.051 -2.851 1
1 655 . 8 1 1 A 56 56 LEU H H 56 7.790 7.784 0.006 1
1 656 . 8 1 1 A 56 56 LEU HA H 56 3.900 3.879 0.021 1
1 666 . 8 1 1 A 56 56 LEU CA C 56 56.400 56.814 -0.414 1
1 667 . 8 1 1 A 56 56 LEU CB C 56 42.700 42.138 0.562 1
1 671 . 8 1 1 A 56 56 LEU N N 56 114.400 119.207 -4.807 1
1 672 . 8 1 1 A 57 57 ASP H H 57 8.850 7.999 0.851 1
1 673 . 8 1 1 A 57 57 ASP HA H 57 4.140 4.547 -0.407 1
1 676 . 8 1 1 A 57 57 ASP CA C 57 59.100 59.389 -0.289 1
1 677 . 8 1 1 A 57 57 ASP CB C 57 38.200 38.607 -0.407 1
1 678 . 8 1 1 A 57 57 ASP N N 57 120.500 121.396 -0.896 1
1 679 . 8 1 1 A 58 58 PRO HA H 58 4.520 4.417 0.103 1
1 686 . 8 1 1 A 58 58 PRO CA C 58 65.300 64.975 0.325 1
1 687 . 8 1 1 A 58 58 PRO CB C 58 31.700 31.023 0.677 1
1 690 . 8 1 1 A 59 59 ILE H H 59 7.400 7.125 0.275 1
1 691 . 8 1 1 A 59 59 ILE HA H 59 4.060 3.748 0.312 1
1 701 . 8 1 1 A 59 59 ILE CA C 59 62.300 63.625 -1.325 1
1 702 . 8 1 1 A 59 59 ILE CB C 59 39.300 36.470 2.830 1
1 706 . 8 1 1 A 59 59 ILE N N 59 113.300 116.918 -3.618 1
1 707 . 8 1 1 A 60 60 TRP H H 60 8.000 7.434 0.566 1
1 708 . 8 1 1 A 60 60 TRP HA H 60 3.830 4.327 -0.497 1
1 717 . 8 1 1 A 60 60 TRP CA C 60 61.300 60.026 1.274 1
1 718 . 8 1 1 A 60 60 TRP CB C 60 29.700 29.357 0.343 1
1 724 . 8 1 1 A 60 60 TRP N N 60 120.900 121.448 -0.548 1
1 726 . 8 1 1 A 61 61 GLU H H 61 7.840 8.097 -0.257 1
1 727 . 8 1 1 A 61 61 GLU HA H 61 4.110 4.290 -0.180 1
1 732 . 8 1 1 A 61 61 GLU CA C 61 58.100 58.422 -0.322 1
1 733 . 8 1 1 A 61 61 GLU CB C 61 29.500 29.672 -0.172 1
1 735 . 8 1 1 A 61 61 GLU N N 61 112.300 119.588 -7.288 1
1 736 . 8 1 1 A 62 62 GLN H H 62 7.710 7.644 0.066 1
1 737 . 8 1 1 A 62 62 GLN HA H 62 4.400 4.457 -0.057 1
1 744 . 8 1 1 A 62 62 GLN CA C 62 57.200 57.193 0.007 1
1 745 . 8 1 1 A 62 62 GLN CB C 62 30.800 30.091 0.709 1
1 747 . 8 1 1 A 62 62 GLN N N 62 115.200 117.354 -2.154 1
1 749 . 8 1 1 A 63 63 LYS H H 63 8.500 8.118 0.382 1
1 750 . 8 1 1 A 63 63 LYS HA H 63 4.860 4.754 0.106 1
1 759 . 8 1 1 A 63 63 LYS CA C 63 53.300 53.634 -0.334 1
1 760 . 8 1 1 A 63 63 LYS CB C 63 33.800 32.878 0.922 1
1 764 . 8 1 1 A 63 63 LYS N N 63 117.800 118.755 -0.955 1
1 765 . 8 1 1 A 64 64 PRO HA H 64 4.110 4.211 -0.101 1
1 772 . 8 1 1 A 64 64 PRO CA C 64 66.000 65.216 0.784 1
1 773 . 8 1 1 A 64 64 PRO CB C 64 31.500 32.107 -0.607 1
1 776 . 8 1 1 A 65 65 GLU H H 65 8.680 8.026 0.654 1
1 777 . 8 1 1 A 65 65 GLU HA H 65 4.120 4.101 0.019 1
1 782 . 8 1 1 A 65 65 GLU CA C 65 59.300 59.699 -0.399 1
1 783 . 8 1 1 A 65 65 GLU CB C 65 28.500 29.444 -0.944 1
1 785 . 8 1 1 A 65 65 GLU N N 65 117.800 118.383 -0.583 1
1 786 . 8 1 1 A 66 66 THR H H 66 7.370 8.012 -0.642 1
1 787 . 8 1 1 A 66 66 THR HA H 66 3.820 3.747 0.073 1
1 792 . 8 1 1 A 66 66 THR CA C 66 66.200 66.268 -0.068 1
1 793 . 8 1 1 A 66 66 THR CB C 66 68.200 68.531 -0.331 1
1 795 . 8 1 1 A 66 66 THR N N 66 117.800 117.068 0.732 1
1 796 . 8 1 1 A 67 67 ALA H H 67 7.890 8.158 -0.268 1
1 797 . 8 1 1 A 67 67 ALA HA H 67 3.380 3.649 -0.269 1
1 801 . 8 1 1 A 67 67 ALA CA C 67 55.200 54.894 0.306 1
1 802 . 8 1 1 A 67 67 ALA CB C 67 17.400 17.283 0.117 1
1 803 . 8 1 1 A 67 67 ALA N N 67 123.900 123.832 0.068 1
1 804 . 8 1 1 A 68 68 SER H H 68 7.920 7.583 0.337 1
1 805 . 8 1 1 A 68 68 SER HA H 68 4.070 4.125 -0.055 1
1 808 . 8 1 1 A 68 68 SER CA C 68 61.200 61.187 0.013 1
1 809 . 8 1 1 A 68 68 SER CB C 68 62.700 63.046 -0.346 1
1 810 . 8 1 1 A 68 68 SER N N 68 111.500 113.146 -1.646 1
1 811 . 8 1 1 A 69 69 ARG H H 69 7.840 7.461 0.379 1
1 812 . 8 1 1 A 69 69 ARG HA H 69 4.010 4.010 0.000 1
1 819 . 8 1 1 A 69 69 ARG CA C 69 58.700 58.987 -0.287 1
1 820 . 8 1 1 A 69 69 ARG CB C 69 30.000 30.059 -0.059 1
1 823 . 8 1 1 A 69 69 ARG N N 69 121.200 121.976 -0.776 1
1 824 . 8 1 1 A 70 70 LEU H H 70 8.490 8.407 0.083 1
1 825 . 8 1 1 A 70 70 LEU HA H 70 3.740 3.925 -0.185 1
1 835 . 8 1 1 A 70 70 LEU CA C 70 57.500 57.478 0.022 1
1 836 . 8 1 1 A 70 70 LEU CB C 70 41.100 41.639 -0.539 1
1 840 . 8 1 1 A 70 70 LEU N N 70 121.100 120.989 0.111 1
1 841 . 8 1 1 A 71 71 ARG H H 71 8.460 8.036 0.424 1
1 842 . 8 1 1 A 71 71 ARG HA H 71 3.540 3.941 -0.401 1
1 850 . 8 1 1 A 71 71 ARG CA C 71 60.700 59.769 0.931 1
1 851 . 8 1 1 A 71 71 ARG CB C 71 28.000 29.893 -1.893 1
1 854 . 8 1 1 A 71 71 ARG N N 71 119.800 119.488 0.312 1
1 856 . 8 1 1 A 72 72 GLY H H 72 7.530 7.876 -0.346 1
1 857 . 8 1 1 A 72 72 GLY HA2 H 72 3.980 3.751 0.229 1
1 858 . 8 1 1 A 72 72 GLY HA3 H 72 3.870 3.774 0.096 1
1 859 . 8 1 1 A 72 72 GLY CA C 72 47.100 47.054 0.046 1
1 860 . 8 1 1 A 72 72 GLY N N 72 103.400 107.203 -3.803 1
1 861 . 8 1 1 A 73 73 ARG H H 73 7.800 7.928 -0.128 1
1 862 . 8 1 1 A 73 73 ARG HA H 73 3.930 4.044 -0.114 1
1 869 . 8 1 1 A 73 73 ARG CA C 73 59.400 59.491 -0.091 1
1 870 . 8 1 1 A 73 73 ARG CB C 73 29.500 29.904 -0.404 1
1 873 . 8 1 1 A 73 73 ARG N N 73 122.800 121.479 1.321 1
1 874 . 8 1 1 A 74 74 ILE H H 74 8.420 8.256 0.164 1
1 875 . 8 1 1 A 74 74 ILE HA H 74 3.440 3.825 -0.385 1
1 885 . 8 1 1 A 74 74 ILE CA C 74 66.500 65.598 0.902 1
1 886 . 8 1 1 A 74 74 ILE CB C 74 38.300 37.325 0.975 1
1 890 . 8 1 1 A 74 74 ILE N N 74 118.800 121.147 -2.347 1
1 891 . 8 1 1 A 75 75 GLU H H 75 8.620 8.532 0.088 1
1 892 . 8 1 1 A 75 75 GLU HA H 75 3.840 4.017 -0.177 1
1 897 . 8 1 1 A 75 75 GLU CA C 75 59.900 59.957 -0.057 1
1 898 . 8 1 1 A 75 75 GLU CB C 75 29.400 29.610 -0.210 1
1 900 . 8 1 1 A 75 75 GLU N N 75 119.200 122.262 -3.062 1
1 901 . 8 1 1 A 76 76 SER H H 76 8.380 8.109 0.271 1
1 902 . 8 1 1 A 76 76 SER HA H 76 4.460 4.213 0.247 1
1 905 . 8 1 1 A 76 76 SER CA C 76 62.900 62.704 0.196 1
1 906 . 8 1 1 A 76 76 SER CB C 76 63.000 63.027 -0.027 1
1 907 . 8 1 1 A 76 76 SER N N 76 116.000 116.974 -0.974 1
1 908 . 8 1 1 A 77 77 VAL H H 77 8.190 7.758 0.432 1
1 909 . 8 1 1 A 77 77 VAL HA H 77 3.290 3.112 0.178 1
1 917 . 8 1 1 A 77 77 VAL CA C 77 66.800 66.712 0.088 1
1 918 . 8 1 1 A 77 77 VAL CB C 77 31.400 31.508 -0.108 1
1 921 . 8 1 1 A 77 77 VAL N N 77 122.800 121.861 0.939 1
1 922 . 8 1 1 A 78 78 LEU H H 78 8.590 8.781 -0.191 1
1 923 . 8 1 1 A 78 78 LEU HA H 78 4.270 4.086 0.184 1
1 933 . 8 1 1 A 78 78 LEU CA C 78 57.800 58.319 -0.519 1
1 934 . 8 1 1 A 78 78 LEU CB C 78 40.900 40.775 0.125 1
1 938 . 8 1 1 A 78 78 LEU N N 78 116.900 118.919 -2.019 1
1 939 . 8 1 1 A 79 79 ASP H H 79 8.790 8.670 0.120 1
1 940 . 8 1 1 A 79 79 ASP HA H 79 4.730 4.373 0.357 1
1 943 . 8 1 1 A 79 79 ASP CA C 79 57.900 57.331 0.569 1
1 944 . 8 1 1 A 79 79 ASP CB C 79 40.400 41.072 -0.672 1
1 945 . 8 1 1 A 79 79 ASP N N 79 123.800 119.084 4.716 1
1 946 . 8 1 1 A 80 80 TRP H H 80 8.210 8.237 -0.027 1
1 947 . 8 1 1 A 80 80 TRP HA H 80 4.380 4.351 0.029 1
1 956 . 8 1 1 A 80 80 TRP CA C 80 61.600 61.488 0.112 1
1 957 . 8 1 1 A 80 80 TRP CB C 80 29.100 29.504 -0.404 1
1 963 . 8 1 1 A 80 80 TRP N N 80 123.700 122.125 1.575 1
1 965 . 8 1 1 A 81 81 ALA H H 81 8.980 8.647 0.333 1
1 966 . 8 1 1 A 81 81 ALA HA H 81 3.850 4.177 -0.327 1
1 970 . 8 1 1 A 81 81 ALA CA C 81 54.500 55.346 -0.846 1
1 971 . 8 1 1 A 81 81 ALA CB C 81 19.600 18.166 1.434 1
1 972 . 8 1 1 A 81 81 ALA N N 81 118.400 121.452 -3.052 1
1 973 . 8 1 1 A 82 82 THR H H 82 7.990 7.945 0.045 1
1 974 . 8 1 1 A 82 82 THR HA H 82 4.310 4.001 0.309 1
1 979 . 8 1 1 A 82 82 THR CA C 82 65.800 66.454 -0.654 1
1 980 . 8 1 1 A 82 82 THR CB C 82 68.800 68.277 0.523 1
1 982 . 8 1 1 A 82 82 THR N N 82 116.400 114.990 1.410 1
1 983 . 8 1 1 A 83 83 VAL H H 83 7.970 7.865 0.105 1
1 984 . 8 1 1 A 83 83 VAL HA H 83 3.720 3.536 0.184 1
1 992 . 8 1 1 A 83 83 VAL CA C 83 65.900 66.576 -0.676 1
1 993 . 8 1 1 A 83 83 VAL CB C 83 31.400 31.587 -0.187 1
1 996 . 8 1 1 A 83 83 VAL N N 83 123.700 121.916 1.784 1
1 997 . 8 1 1 A 84 84 ARG H H 84 7.300 7.542 -0.242 1
1 998 . 8 1 1 A 84 84 ARG HA H 84 3.740 3.808 -0.068 1
1 1005 . 8 1 1 A 84 84 ARG CA C 84 55.300 55.894 -0.594 1
1 1006 . 8 1 1 A 84 84 ARG CB C 84 29.400 29.792 -0.392 1
1 1009 . 8 1 1 A 84 84 ARG N N 84 115.400 117.893 -2.493 1
1 1010 . 8 1 1 A 85 85 GLY H H 85 7.510 7.501 0.009 1
1 1011 . 8 1 1 A 85 85 GLY HA2 H 85 4.010 3.786 0.224 1
1 1012 . 8 1 1 A 85 85 GLY HA3 H 85 3.830 3.858 -0.028 1
1 1013 . 8 1 1 A 85 85 GLY CA C 85 45.400 45.586 -0.186 1
1 1014 . 8 1 1 A 85 85 GLY N N 85 105.600 107.546 -1.946 1
1 1015 . 8 1 1 A 86 86 TYR H H 86 8.120 8.331 -0.211 1
1 1016 . 8 1 1 A 86 86 TYR HA H 86 4.740 4.425 0.315 1
1 1023 . 8 1 1 A 86 86 TYR CA C 86 55.800 59.608 -3.808 1
1 1024 . 8 1 1 A 86 86 TYR CB C 86 38.000 39.275 -1.275 1
1 1027 . 8 1 1 A 86 86 TYR N N 86 118.700 118.534 0.166 1
1 1028 . 8 1 1 A 87 87 ARG H H 87 7.500 7.339 0.161 1
1 1029 . 8 1 1 A 87 87 ARG HA H 87 4.710 4.761 -0.051 1
1 1037 . 8 1 1 A 87 87 ARG CA C 87 54.100 54.158 -0.058 1
1 1038 . 8 1 1 A 87 87 ARG CB C 87 31.900 33.341 -1.441 1
1 1041 . 8 1 1 A 87 87 ARG N N 87 111.200 115.769 -4.569 1
1 1043 . 8 1 1 A 88 88 GLU H H 88 9.190 8.573 0.617 1
1 1044 . 8 1 1 A 88 88 GLU HA H 88 4.760 4.453 0.307 1
1 1049 . 8 1 1 A 88 88 GLU CA C 88 54.800 56.081 -1.281 1
1 1050 . 8 1 1 A 88 88 GLU CB C 88 32.500 30.727 1.773 1
1 1052 . 8 1 1 A 88 88 GLU N N 88 118.800 119.657 -0.857 1
1 1053 . 8 1 1 A 89 89 GLY H H 89 8.580 8.548 0.032 1
1 1054 . 8 1 1 A 89 89 GLY HA2 H 89 3.850 3.821 0.029 1
1 1055 . 8 1 1 A 89 89 GLY HA3 H 89 4.500 3.825 0.675 1
1 1056 . 8 1 1 A 89 89 GLY CA C 89 43.700 45.629 -1.929 1
1 1057 . 8 1 1 A 89 89 GLY N N 89 107.900 109.993 -2.093 1
1 1058 . 8 1 1 A 90 90 ASP H H 90 8.630 7.645 0.985 1
1 1059 . 8 1 1 A 90 90 ASP HA H 90 4.480 4.844 -0.364 1
1 1062 . 8 1 1 A 90 90 ASP CA C 90 54.600 53.322 1.278 1
1 1063 . 8 1 1 A 90 90 ASP CB C 90 40.500 43.292 -2.792 1
1 1064 . 8 1 1 A 90 90 ASP N N 90 120.700 120.202 0.498 1
1 1065 . 8 1 1 A 91 91 ASN H H 91 8.930 8.780 0.150 1
1 1066 . 8 1 1 A 91 91 ASN HA H 91 4.580 5.376 -0.796 1
1 1071 . 8 1 1 A 91 91 ASN CA C 91 51.100 49.771 1.329 1
1 1072 . 8 1 1 A 91 91 ASN CB C 91 39.100 39.714 -0.614 1
1 1073 . 8 1 1 A 91 91 ASN N N 91 122.700 122.516 0.184 1
1 1075 . 8 1 1 A 92 92 PRO HA H 92 4.490 4.271 0.219 1
1 1082 . 8 1 1 A 92 92 PRO CA C 92 63.500 63.990 -0.490 1
1 1083 . 8 1 1 A 92 92 PRO CB C 92 32.300 31.729 0.571 1
1 1086 . 8 1 1 A 93 93 ALA H H 93 8.610 8.339 0.271 1
1 1087 . 8 1 1 A 93 93 ALA HA H 93 4.450 4.160 0.290 1
1 1091 . 8 1 1 A 93 93 ALA CA C 93 52.000 53.556 -1.556 1
1 1092 . 8 1 1 A 93 93 ALA CB C 93 18.100 18.817 -0.717 1
1 1093 . 8 1 1 A 93 93 ALA N N 93 120.500 120.537 -0.037 1
1 1094 . 8 1 1 A 94 94 ARG H H 94 7.280 7.710 -0.430 1
1 1095 . 8 1 1 A 94 94 ARG HA H 94 3.830 4.459 -0.629 1
1 1102 . 8 1 1 A 94 94 ARG CA C 94 55.500 58.560 -3.060 1
1 1103 . 8 1 1 A 94 94 ARG CB C 94 30.500 31.306 -0.806 1
1 1106 . 8 1 1 A 94 94 ARG N N 94 118.100 115.091 3.009 1
1 1107 . 8 1 1 A 95 95 TRP H H 95 7.310 7.746 -0.436 1
1 1108 . 8 1 1 A 95 95 TRP HA H 95 4.610 4.706 -0.096 1
1 1117 . 8 1 1 A 95 95 TRP CA C 95 55.200 59.043 -3.843 1
1 1118 . 8 1 1 A 95 95 TRP CB C 95 29.500 28.786 0.714 1
1 1124 . 8 1 1 A 95 95 TRP N N 95 121.200 118.705 2.495 1
1 1126 . 8 1 1 A 96 96 ARG H H 96 8.380 9.109 -0.729 1
1 1127 . 8 1 1 A 96 96 ARG HA H 96 4.140 4.485 -0.345 1
1 1134 . 8 1 1 A 96 96 ARG CA C 96 57.200 56.555 0.645 1
1 1135 . 8 1 1 A 96 96 ARG CB C 96 29.900 31.209 -1.309 1
1 1138 . 8 1 1 A 96 96 ARG N N 96 122.100 123.241 -1.141 1
1 1139 . 8 1 1 A 97 97 GLY H H 97 7.920 7.966 -0.046 1
1 1140 . 8 1 1 A 97 97 GLY HA2 H 97 3.710 4.076 -0.366 1
1 1141 . 8 1 1 A 97 97 GLY HA3 H 97 3.630 4.161 -0.531 1
1 1142 . 8 1 1 A 97 97 GLY CA C 97 45.700 45.688 0.012 1
1 1143 . 8 1 1 A 97 97 GLY N N 97 110.500 106.818 3.682 1
1 1144 . 8 1 1 A 98 98 TYR H H 98 7.770 7.959 -0.189 1
1 1145 . 8 1 1 A 98 98 TYR HA H 98 4.090 4.908 -0.818 1
1 1152 . 8 1 1 A 98 98 TYR CA C 98 59.900 56.251 3.649 1
1 1153 . 8 1 1 A 98 98 TYR CB C 98 37.100 41.596 -4.496 1
1 1156 . 8 1 1 A 98 98 TYR N N 98 120.400 121.207 -0.807 1
1 1157 . 8 1 1 A 99 99 LEU H H 99 7.820 7.853 -0.033 1
1 1158 . 8 1 1 A 99 99 LEU HA H 99 3.890 3.388 0.502 1
1 1168 . 8 1 1 A 99 99 LEU CA C 99 55.600 56.422 -0.822 1
1 1169 . 8 1 1 A 99 99 LEU CB C 99 41.600 39.441 2.159 1
1 1173 . 8 1 1 A 99 99 LEU N N 99 120.700 122.375 -1.675 1
1 1174 . 8 1 1 A 100 100 GLU H H 100 7.680 7.882 -0.202 1
1 1175 . 8 1 1 A 100 100 GLU HA H 100 3.900 4.143 -0.243 1
1 1180 . 8 1 1 A 100 100 GLU CA C 100 56.500 56.028 0.472 1
1 1181 . 8 1 1 A 100 100 GLU CB C 100 29.500 30.278 -0.778 1
1 13 . 9 1 1 A 2 2 THR H H 2 9.230 8.691 0.539 1
1 14 . 9 1 1 A 2 2 THR HA H 2 5.080 5.065 0.015 1
1 19 . 9 1 1 A 2 2 THR CA C 2 61.000 60.294 0.706 1
1 20 . 9 1 1 A 2 2 THR CB C 2 70.800 71.600 -0.800 1
1 22 . 9 1 1 A 2 2 THR N N 2 119.100 116.851 2.249 1
1 23 . 9 1 1 A 3 3 PHE H H 3 9.290 9.498 -0.208 1
1 24 . 9 1 1 A 3 3 PHE HA H 3 3.880 4.144 -0.264 1
1 32 . 9 1 1 A 3 3 PHE CA C 3 63.900 62.279 1.621 1
1 33 . 9 1 1 A 3 3 PHE CB C 3 38.800 39.350 -0.550 1
1 37 . 9 1 1 A 3 3 PHE N N 3 122.600 123.902 -1.302 1
1 38 . 9 1 1 A 4 4 SER H H 4 9.930 8.222 1.708 1
1 39 . 9 1 1 A 4 4 SER HA H 4 4.000 4.251 -0.251 1
1 42 . 9 1 1 A 4 4 SER CA C 4 62.800 61.709 1.091 1
1 43 . 9 1 1 A 4 4 SER CB C 4 62.600 62.775 -0.175 1
1 44 . 9 1 1 A 4 4 SER N N 4 116.300 116.246 0.054 1
1 45 . 9 1 1 A 5 5 GLU H H 5 7.980 7.397 0.583 1
1 46 . 9 1 1 A 5 5 GLU HA H 5 3.990 4.070 -0.080 1
1 51 . 9 1 1 A 5 5 GLU CA C 5 58.800 58.928 -0.128 1
1 52 . 9 1 1 A 5 5 GLU CB C 5 29.700 29.942 -0.242 1
1 54 . 9 1 1 A 5 5 GLU N N 5 122.800 121.188 1.612 1
1 55 . 9 1 1 A 6 6 CYS H H 6 8.430 8.028 0.402 1
1 56 . 9 1 1 A 6 6 CYS HA H 6 4.120 4.266 -0.146 1
1 59 . 9 1 1 A 6 6 CYS CA C 6 63.300 62.066 1.234 1
1 60 . 9 1 1 A 6 6 CYS CB C 6 27.100 26.962 0.138 1
1 61 . 9 1 1 A 6 6 CYS N N 6 120.100 119.544 0.556 1
1 62 . 9 1 1 A 7 7 ALA H H 7 8.770 8.163 0.607 1
1 63 . 9 1 1 A 7 7 ALA HA H 7 3.790 3.947 -0.157 1
1 67 . 9 1 1 A 7 7 ALA CA C 7 55.200 54.952 0.248 1
1 68 . 9 1 1 A 7 7 ALA CB C 7 17.400 17.899 -0.499 1
1 69 . 9 1 1 A 7 7 ALA N N 7 120.400 122.279 -1.879 1
1 70 . 9 1 1 A 8 8 ALA H H 8 7.800 8.225 -0.425 1
1 71 . 9 1 1 A 8 8 ALA HA H 8 4.130 4.161 -0.031 1
1 75 . 9 1 1 A 8 8 ALA CA C 8 55.200 55.101 0.099 1
1 76 . 9 1 1 A 8 8 ALA CB C 8 17.700 17.944 -0.244 1
1 77 . 9 1 1 A 8 8 ALA N N 8 119.200 120.741 -1.541 1
1 78 . 9 1 1 A 9 9 LEU H H 9 8.120 8.309 -0.189 1
1 79 . 9 1 1 A 9 9 LEU HA H 9 4.080 3.970 0.110 1
1 89 . 9 1 1 A 9 9 LEU CA C 9 57.700 57.886 -0.186 1
1 90 . 9 1 1 A 9 9 LEU CB C 9 42.000 42.301 -0.301 1
1 94 . 9 1 1 A 9 9 LEU N N 9 120.300 119.014 1.286 1
1 95 . 9 1 1 A 10 10 TYR H H 10 8.700 8.339 0.361 1
1 96 . 9 1 1 A 10 10 TYR HA H 10 2.330 3.126 -0.796 1
1 103 . 9 1 1 A 10 10 TYR CA C 10 62.000 61.106 0.894 1
1 104 . 9 1 1 A 10 10 TYR CB C 10 38.100 38.251 -0.151 1
1 107 . 9 1 1 A 10 10 TYR N N 10 122.900 118.553 4.347 1
1 108 . 9 1 1 A 11 11 ILE H H 11 8.600 8.590 0.010 1
1 109 . 9 1 1 A 11 11 ILE HA H 11 3.270 3.669 -0.399 1
1 119 . 9 1 1 A 11 11 ILE CA C 11 65.600 65.170 0.430 1
1 120 . 9 1 1 A 11 11 ILE CB C 11 38.200 37.928 0.272 1
1 124 . 9 1 1 A 11 11 ILE N N 11 123.900 121.281 2.619 1
1 125 . 9 1 1 A 12 12 LYS H H 12 7.910 8.212 -0.302 1
1 126 . 9 1 1 A 12 12 LYS HA H 12 3.870 4.036 -0.166 1
1 135 . 9 1 1 A 12 12 LYS CA C 12 59.900 59.336 0.564 1
1 136 . 9 1 1 A 12 12 LYS CB C 12 32.600 32.146 0.454 1
1 140 . 9 1 1 A 12 12 LYS N N 12 120.600 119.871 0.729 1
1 141 . 9 1 1 A 13 13 ALA H H 13 7.790 7.710 0.080 1
1 142 . 9 1 1 A 13 13 ALA HA H 13 4.100 4.034 0.066 1
1 146 . 9 1 1 A 13 13 ALA CA C 13 53.200 53.215 -0.015 1
1 147 . 9 1 1 A 13 13 ALA CB C 13 18.200 18.469 -0.269 1
1 148 . 9 1 1 A 13 13 ALA N N 13 118.100 120.528 -2.428 1
1 149 . 9 1 1 A 14 14 HIS H H 14 7.160 7.089 0.071 1
1 150 . 9 1 1 A 14 14 HIS HA H 14 3.990 4.430 -0.440 1
1 155 . 9 1 1 A 14 14 HIS CA C 14 56.500 55.083 1.417 1
1 156 . 9 1 1 A 14 14 HIS CB C 14 27.000 29.975 -2.975 1
1 159 . 9 1 1 A 14 14 HIS N N 14 113.200 115.182 -1.982 1
1 160 . 9 1 1 A 15 15 ARG H H 15 7.420 7.819 -0.399 1
1 161 . 9 1 1 A 15 15 ARG HA H 15 3.760 3.777 -0.017 1
1 168 . 9 1 1 A 15 15 ARG CA C 15 59.800 57.867 1.933 1
1 169 . 9 1 1 A 15 15 ARG CB C 15 29.800 29.354 0.446 1
1 172 . 9 1 1 A 15 15 ARG N N 15 121.100 119.725 1.375 1
1 173 . 9 1 1 A 16 16 SER H H 16 8.540 7.797 0.743 1
1 174 . 9 1 1 A 16 16 SER HA H 16 4.230 4.055 0.175 1
1 177 . 9 1 1 A 16 16 SER CA C 16 60.800 61.772 -0.972 1
1 178 . 9 1 1 A 16 16 SER CB C 16 62.200 62.717 -0.517 1
1 179 . 9 1 1 A 16 16 SER N N 16 114.100 118.153 -4.053 1
1 180 . 9 1 1 A 17 17 SER H H 17 7.680 7.506 0.174 1
1 181 . 9 1 1 A 17 17 SER HA H 17 4.370 4.130 0.240 1
1 184 . 9 1 1 A 17 17 SER CA C 17 59.800 60.290 -0.490 1
1 185 . 9 1 1 A 17 17 SER CB C 17 63.100 62.462 0.638 1
1 186 . 9 1 1 A 17 17 SER N N 17 116.700 115.711 0.989 1
1 187 . 9 1 1 A 18 18 TRP H H 18 7.640 7.576 0.064 1
1 188 . 9 1 1 A 18 18 TRP HA H 18 4.990 4.917 0.073 1
1 197 . 9 1 1 A 18 18 TRP CA C 18 55.200 56.037 -0.837 1
1 198 . 9 1 1 A 18 18 TRP CB C 18 29.500 28.878 0.622 1
1 204 . 9 1 1 A 18 18 TRP N N 18 121.200 119.698 1.502 1
1 206 . 9 1 1 A 19 19 LYS H H 19 7.920 7.465 0.455 1
1 207 . 9 1 1 A 19 19 LYS HA H 19 4.180 5.016 -0.836 1
1 216 . 9 1 1 A 19 19 LYS CA C 19 58.100 54.808 3.292 1
1 217 . 9 1 1 A 19 19 LYS CB C 19 32.200 34.886 -2.686 1
1 221 . 9 1 1 A 19 19 LYS N N 19 121.100 121.270 -0.170 1
1 222 . 9 1 1 A 20 20 ASN H H 20 8.630 8.983 -0.353 1
1 223 . 9 1 1 A 20 20 ASN HA H 20 4.760 5.284 -0.524 1
1 228 . 9 1 1 A 20 20 ASN CA C 20 53.600 52.038 1.562 1
1 229 . 9 1 1 A 20 20 ASN CB C 20 38.200 39.426 -1.226 1
1 230 . 9 1 1 A 20 20 ASN N N 20 116.500 126.643 -10.143 1
1 232 . 9 1 1 A 21 21 THR H H 21 8.320 8.709 -0.389 1
1 233 . 9 1 1 A 21 21 THR HA H 21 4.470 4.946 -0.476 1
1 238 . 9 1 1 A 21 21 THR CA C 21 62.500 59.274 3.226 1
1 239 . 9 1 1 A 21 21 THR CB C 21 70.700 71.650 -0.950 1
1 241 . 9 1 1 A 21 21 THR N N 21 113.700 116.815 -3.115 1
1 242 . 9 1 1 A 22 22 LYS H H 22 8.440 8.865 -0.425 1
1 243 . 9 1 1 A 22 22 LYS HA H 22 4.500 4.339 0.161 1
1 252 . 9 1 1 A 22 22 LYS CA C 22 56.700 58.156 -1.456 1
1 253 . 9 1 1 A 22 22 LYS CB C 22 31.700 32.015 -0.315 1
1 257 . 9 1 1 A 22 22 LYS N N 22 120.900 120.964 -0.064 1
1 258 . 9 1 1 A 23 23 HIS H H 23 8.110 7.754 0.356 1
1 259 . 9 1 1 A 23 23 HIS HA H 23 4.450 4.341 0.109 1
1 264 . 9 1 1 A 23 23 HIS CA C 23 57.300 59.596 -2.296 1
1 265 . 9 1 1 A 23 23 HIS CB C 23 27.900 29.212 -1.312 1
1 268 . 9 1 1 A 23 23 HIS N N 23 116.800 118.472 -1.672 1
1 269 . 9 1 1 A 24 24 ALA H H 24 8.490 8.429 0.061 1
1 270 . 9 1 1 A 24 24 ALA HA H 24 4.000 3.964 0.036 1
1 274 . 9 1 1 A 24 24 ALA CA C 24 55.700 55.362 0.338 1
1 275 . 9 1 1 A 24 24 ALA CB C 24 18.000 18.400 -0.400 1
1 276 . 9 1 1 A 24 24 ALA N N 24 121.700 122.074 -0.374 1
1 277 . 9 1 1 A 25 25 ASP H H 25 8.370 8.332 0.038 1
1 278 . 9 1 1 A 25 25 ASP HA H 25 4.450 4.375 0.075 1
1 281 . 9 1 1 A 25 25 ASP CA C 25 56.800 57.609 -0.809 1
1 282 . 9 1 1 A 25 25 ASP CB C 25 40.200 41.315 -1.115 1
1 283 . 9 1 1 A 25 25 ASP N N 25 119.100 118.772 0.328 1
1 284 . 9 1 1 A 26 26 GLN H H 26 8.020 8.412 -0.392 1
1 285 . 9 1 1 A 26 26 GLN HA H 26 4.250 4.067 0.183 1
1 292 . 9 1 1 A 26 26 GLN CA C 26 58.600 59.110 -0.510 1
1 293 . 9 1 1 A 26 26 GLN CB C 26 28.500 28.167 0.333 1
1 295 . 9 1 1 A 26 26 GLN N N 26 119.500 117.535 1.965 1
1 297 . 9 1 1 A 27 27 TRP H H 27 8.610 8.602 0.008 1
1 298 . 9 1 1 A 27 27 TRP HA H 27 3.840 4.383 -0.543 1
1 307 . 9 1 1 A 27 27 TRP CA C 27 62.400 59.674 2.726 1
1 308 . 9 1 1 A 27 27 TRP CB C 27 28.300 29.432 -1.132 1
1 314 . 9 1 1 A 27 27 TRP N N 27 122.000 121.147 0.853 1
1 316 . 9 1 1 A 28 28 THR H H 28 8.460 7.969 0.491 1
1 317 . 9 1 1 A 28 28 THR HA H 28 3.790 4.054 -0.264 1
1 322 . 9 1 1 A 28 28 THR CA C 28 67.000 67.474 -0.474 1
1 323 . 9 1 1 A 28 28 THR CB C 28 68.900 68.833 0.067 1
1 325 . 9 1 1 A 28 28 THR N N 28 114.800 114.967 -0.167 1
1 326 . 9 1 1 A 29 29 ASN H H 29 8.650 8.600 0.050 1
1 327 . 9 1 1 A 29 29 ASN HA H 29 4.530 4.490 0.040 1
1 332 . 9 1 1 A 29 29 ASN CA C 29 56.600 56.547 0.053 1
1 333 . 9 1 1 A 29 29 ASN CB C 29 38.400 38.416 -0.016 1
1 334 . 9 1 1 A 29 29 ASN N N 29 118.500 118.516 -0.016 1
1 336 . 9 1 1 A 30 30 THR H H 30 8.170 8.183 -0.013 1
1 337 . 9 1 1 A 30 30 THR HA H 30 4.160 4.081 0.079 1
1 342 . 9 1 1 A 30 30 THR CA C 30 66.100 67.407 -1.307 1
1 343 . 9 1 1 A 30 30 THR CB C 30 69.300 68.715 0.585 1
1 345 . 9 1 1 A 30 30 THR N N 30 113.100 116.036 -2.936 1
1 346 . 9 1 1 A 31 31 ILE H H 31 8.030 7.923 0.107 1
1 347 . 9 1 1 A 31 31 ILE HA H 31 3.850 3.711 0.139 1
1 357 . 9 1 1 A 31 31 ILE CA C 31 65.200 65.631 -0.431 1
1 358 . 9 1 1 A 31 31 ILE CB C 31 36.300 37.786 -1.486 1
1 362 . 9 1 1 A 31 31 ILE N N 31 122.000 121.206 0.794 1
1 363 . 9 1 1 A 32 32 LYS H H 32 8.320 8.565 -0.245 1
1 364 . 9 1 1 A 32 32 LYS HA H 32 4.090 4.034 0.056 1
1 373 . 9 1 1 A 32 32 LYS CA C 32 60.500 59.587 0.913 1
1 374 . 9 1 1 A 32 32 LYS CB C 32 32.500 32.116 0.384 1
1 378 . 9 1 1 A 32 32 LYS N N 32 121.300 121.704 -0.404 1
1 379 . 9 1 1 A 33 33 THR H H 33 8.160 7.482 0.678 1
1 380 . 9 1 1 A 33 33 THR HA H 33 3.690 3.932 -0.242 1
1 385 . 9 1 1 A 33 33 THR CA C 33 66.500 66.260 0.240 1
1 386 . 9 1 1 A 33 33 THR CB C 33 69.200 68.963 0.237 1
1 388 . 9 1 1 A 33 33 THR N N 33 113.400 116.111 -2.711 1
1 389 . 9 1 1 A 34 34 TYR H H 34 7.640 7.976 -0.336 1
1 390 . 9 1 1 A 34 34 TYR HA H 34 4.670 4.345 0.325 1
1 397 . 9 1 1 A 34 34 TYR CA C 34 59.800 60.332 -0.532 1
1 398 . 9 1 1 A 34 34 TYR CB C 34 39.800 38.969 0.831 1
1 401 . 9 1 1 A 34 34 TYR N N 34 113.700 118.827 -5.127 1
1 402 . 9 1 1 A 35 35 CYS H H 35 8.170 8.269 -0.099 1
1 403 . 9 1 1 A 35 35 CYS HA H 35 4.470 4.438 0.032 1
1 406 . 9 1 1 A 35 35 CYS CA C 35 60.700 61.506 -0.806 1
1 407 . 9 1 1 A 35 35 CYS CB C 35 27.700 27.922 -0.222 1
1 408 . 9 1 1 A 35 35 CYS N N 35 113.100 118.423 -5.323 1
1 409 . 9 1 1 A 36 36 GLY H H 36 8.110 8.048 0.062 1
1 410 . 9 1 1 A 36 36 GLY HA2 H 36 3.880 3.809 0.071 1
1 411 . 9 1 1 A 36 36 GLY HA3 H 36 4.480 3.856 0.624 1
1 412 . 9 1 1 A 36 36 GLY CA C 36 49.400 48.313 1.087 1
1 413 . 9 1 1 A 36 36 GLY N N 36 110.800 109.759 1.041 1
1 414 . 9 1 1 A 37 37 PRO HA H 37 4.470 4.350 0.120 1
1 421 . 9 1 1 A 37 37 PRO CA C 37 64.400 65.038 -0.638 1
1 422 . 9 1 1 A 37 37 PRO CB C 37 32.700 31.372 1.328 1
1 425 . 9 1 1 A 38 38 VAL H H 38 7.270 7.732 -0.462 1
1 426 . 9 1 1 A 38 38 VAL HA H 38 4.190 3.964 0.226 1
1 434 . 9 1 1 A 38 38 VAL CA C 38 63.600 63.848 -0.248 1
1 435 . 9 1 1 A 38 38 VAL CB C 38 34.800 32.059 2.741 1
1 438 . 9 1 1 A 38 38 VAL N N 38 113.900 115.795 -1.895 1
1 439 . 9 1 1 A 39 39 ILE H H 39 7.590 7.642 -0.052 1
1 440 . 9 1 1 A 39 39 ILE HA H 39 4.590 4.286 0.304 1
1 450 . 9 1 1 A 39 39 ILE CA C 39 60.500 60.741 -0.241 1
1 451 . 9 1 1 A 39 39 ILE CB C 39 39.500 37.942 1.558 1
1 455 . 9 1 1 A 39 39 ILE N N 39 107.400 115.038 -7.638 1
1 456 . 9 1 1 A 40 40 GLY H H 40 7.670 7.834 -0.164 1
1 457 . 9 1 1 A 40 40 GLY HA2 H 40 4.040 3.893 0.147 1
1 458 . 9 1 1 A 40 40 GLY HA3 H 40 4.430 4.036 0.394 1
1 459 . 9 1 1 A 40 40 GLY CA C 40 49.400 48.280 1.120 1
1 460 . 9 1 1 A 40 40 GLY N N 40 109.200 112.489 -3.289 1
1 461 . 9 1 1 A 41 41 PRO HA H 41 4.770 4.498 0.272 1
1 468 . 9 1 1 A 41 41 PRO CA C 41 63.200 64.001 -0.801 1
1 469 . 9 1 1 A 41 41 PRO CB C 41 31.800 31.939 -0.139 1
1 472 . 9 1 1 A 42 42 LEU H H 42 7.540 7.370 0.170 1
1 473 . 9 1 1 A 42 42 LEU HA H 42 4.320 4.404 -0.084 1
1 483 . 9 1 1 A 42 42 LEU CA C 42 54.000 54.013 -0.013 1
1 484 . 9 1 1 A 42 42 LEU CB C 42 42.000 43.269 -1.269 1
1 488 . 9 1 1 A 42 42 LEU N N 42 119.600 120.368 -0.768 1
1 489 . 9 1 1 A 43 43 SER H H 43 8.880 8.672 0.208 1
1 490 . 9 1 1 A 43 43 SER HA H 43 4.510 4.737 -0.227 1
1 493 . 9 1 1 A 43 43 SER CA C 43 58.600 59.442 -0.842 1
1 494 . 9 1 1 A 43 43 SER CB C 43 63.000 63.507 -0.507 1
1 495 . 9 1 1 A 43 43 SER N N 43 116.100 117.605 -1.505 1
1 496 . 9 1 1 A 44 44 VAL H H 44 9.020 8.606 0.414 1
1 497 . 9 1 1 A 44 44 VAL HA H 44 3.920 4.128 -0.208 1
1 505 . 9 1 1 A 44 44 VAL CA C 44 65.900 64.911 0.989 1
1 506 . 9 1 1 A 44 44 VAL CB C 44 32.100 31.966 0.134 1
1 509 . 9 1 1 A 44 44 VAL N N 44 124.400 126.354 -1.954 1
1 510 . 9 1 1 A 45 45 GLN H H 45 8.700 8.038 0.662 1
1 511 . 9 1 1 A 45 45 GLN HA H 45 4.170 4.151 0.019 1
1 518 . 9 1 1 A 45 45 GLN CA C 45 57.400 58.606 -1.206 1
1 519 . 9 1 1 A 45 45 GLN CB C 45 29.000 28.385 0.615 1
1 521 . 9 1 1 A 45 45 GLN N N 45 120.500 121.285 -0.785 1
1 523 . 9 1 1 A 46 46 ASP H H 46 7.870 7.777 0.093 1
1 524 . 9 1 1 A 46 46 ASP HA H 46 4.720 4.709 0.011 1
1 527 . 9 1 1 A 46 46 ASP CA C 46 54.400 54.607 -0.207 1
1 528 . 9 1 1 A 46 46 ASP CB C 46 40.800 41.347 -0.547 1
1 529 . 9 1 1 A 46 46 ASP N N 46 117.200 117.525 -0.325 1
1 530 . 9 1 1 A 47 47 VAL H H 47 6.970 7.406 -0.436 1
1 531 . 9 1 1 A 47 47 VAL HA H 47 3.490 3.991 -0.501 1
1 539 . 9 1 1 A 47 47 VAL CA C 47 65.200 62.745 2.455 1
1 540 . 9 1 1 A 47 47 VAL CB C 47 31.100 31.236 -0.136 1
1 543 . 9 1 1 A 47 47 VAL N N 47 118.500 121.314 -2.814 1
1 544 . 9 1 1 A 48 48 ASP H H 48 7.220 8.875 -1.655 1
1 545 . 9 1 1 A 48 48 ASP HA H 48 4.910 4.900 0.010 1
1 548 . 9 1 1 A 48 48 ASP CA C 48 51.600 52.485 -0.885 1
1 549 . 9 1 1 A 48 48 ASP CB C 48 42.700 42.764 -0.064 1
1 550 . 9 1 1 A 48 48 ASP N N 48 128.000 128.138 -0.138 1
1 551 . 9 1 1 A 49 49 THR H H 49 8.490 8.838 -0.348 1
1 552 . 9 1 1 A 49 49 THR HA H 49 3.770 3.736 0.034 1
1 557 . 9 1 1 A 49 49 THR CA C 49 67.300 65.821 1.479 1
1 558 . 9 1 1 A 49 49 THR CB C 49 68.900 68.103 0.797 1
1 560 . 9 1 1 A 49 49 THR N N 49 115.800 115.791 0.009 1
1 561 . 9 1 1 A 50 50 LYS H H 50 7.860 8.156 -0.296 1
1 562 . 9 1 1 A 50 50 LYS HA H 50 3.860 4.023 -0.163 1
1 571 . 9 1 1 A 50 50 LYS CA C 50 60.000 59.503 0.497 1
1 572 . 9 1 1 A 50 50 LYS CB C 50 31.600 31.893 -0.293 1
1 576 . 9 1 1 A 50 50 LYS N N 50 120.500 121.987 -1.487 1
1 577 . 9 1 1 A 51 51 LEU H H 51 8.190 8.066 0.124 1
1 578 . 9 1 1 A 51 51 LEU HA H 51 4.050 4.050 0.000 1
1 588 . 9 1 1 A 51 51 LEU CA C 51 57.600 58.008 -0.408 1
1 589 . 9 1 1 A 51 51 LEU CB C 51 42.400 41.420 0.980 1
1 593 . 9 1 1 A 51 51 LEU N N 51 120.600 119.136 1.464 1
1 594 . 9 1 1 A 52 52 ILE H H 52 7.850 7.925 -0.075 1
1 595 . 9 1 1 A 52 52 ILE HA H 52 3.440 3.540 -0.100 1
1 605 . 9 1 1 A 52 52 ILE CA C 52 65.200 64.895 0.305 1
1 606 . 9 1 1 A 52 52 ILE CB C 52 36.700 37.129 -0.429 1
1 610 . 9 1 1 A 52 52 ILE N N 52 118.600 120.138 -1.538 1
1 611 . 9 1 1 A 53 53 MET H H 53 8.540 8.251 0.289 1
1 612 . 9 1 1 A 53 53 MET HA H 53 4.040 4.216 -0.176 1
1 620 . 9 1 1 A 53 53 MET CA C 53 59.000 59.417 -0.417 1
1 621 . 9 1 1 A 53 53 MET CB C 53 31.300 32.854 -1.554 1
1 624 . 9 1 1 A 53 53 MET N N 53 118.600 118.649 -0.049 1
1 625 . 9 1 1 A 54 54 LYS H H 54 7.620 7.607 0.013 1
1 626 . 9 1 1 A 54 54 LYS HA H 54 4.140 4.099 0.041 1
1 635 . 9 1 1 A 54 54 LYS CA C 54 59.200 58.929 0.271 1
1 636 . 9 1 1 A 54 54 LYS CB C 54 32.300 32.597 -0.297 1
1 640 . 9 1 1 A 54 54 LYS N N 54 119.100 119.206 -0.106 1
1 641 . 9 1 1 A 55 55 VAL H H 55 7.560 7.262 0.298 1
1 642 . 9 1 1 A 55 55 VAL HA H 55 3.670 3.571 0.099 1
1 650 . 9 1 1 A 55 55 VAL CA C 55 65.600 66.022 -0.422 1
1 651 . 9 1 1 A 55 55 VAL CB C 55 31.900 31.582 0.318 1
1 654 . 9 1 1 A 55 55 VAL N N 55 117.200 119.186 -1.986 1
1 655 . 9 1 1 A 56 56 LEU H H 56 7.790 8.088 -0.298 1
1 656 . 9 1 1 A 56 56 LEU HA H 56 3.900 3.843 0.057 1
1 666 . 9 1 1 A 56 56 LEU CA C 56 56.400 57.976 -1.576 1
1 667 . 9 1 1 A 56 56 LEU CB C 56 42.700 41.072 1.628 1
1 671 . 9 1 1 A 56 56 LEU N N 56 114.400 118.499 -4.099 1
1 672 . 9 1 1 A 57 57 ASP H H 57 8.850 8.315 0.535 1
1 673 . 9 1 1 A 57 57 ASP HA H 57 4.140 4.781 -0.641 1
1 676 . 9 1 1 A 57 57 ASP CA C 57 59.100 59.421 -0.321 1
1 677 . 9 1 1 A 57 57 ASP CB C 57 38.200 38.246 -0.046 1
1 678 . 9 1 1 A 57 57 ASP N N 57 120.500 120.445 0.055 1
1 679 . 9 1 1 A 58 58 PRO HA H 58 4.520 4.457 0.063 1
1 686 . 9 1 1 A 58 58 PRO CA C 58 65.300 65.149 0.151 1
1 687 . 9 1 1 A 58 58 PRO CB C 58 31.700 31.443 0.257 1
1 690 . 9 1 1 A 59 59 ILE H H 59 7.400 7.332 0.068 1
1 691 . 9 1 1 A 59 59 ILE HA H 59 4.060 3.833 0.227 1
1 701 . 9 1 1 A 59 59 ILE CA C 59 62.300 63.595 -1.295 1
1 702 . 9 1 1 A 59 59 ILE CB C 59 39.300 36.363 2.937 1
1 706 . 9 1 1 A 59 59 ILE N N 59 113.300 116.096 -2.796 1
1 707 . 9 1 1 A 60 60 TRP H H 60 8.000 7.623 0.377 1
1 708 . 9 1 1 A 60 60 TRP HA H 60 3.830 4.391 -0.561 1
1 717 . 9 1 1 A 60 60 TRP CA C 60 61.300 59.621 1.679 1
1 718 . 9 1 1 A 60 60 TRP CB C 60 29.700 29.442 0.258 1
1 724 . 9 1 1 A 60 60 TRP N N 60 120.900 121.667 -0.767 1
1 726 . 9 1 1 A 61 61 GLU H H 61 7.840 8.638 -0.798 1
1 727 . 9 1 1 A 61 61 GLU HA H 61 4.110 4.290 -0.180 1
1 732 . 9 1 1 A 61 61 GLU CA C 61 58.100 58.758 -0.658 1
1 733 . 9 1 1 A 61 61 GLU CB C 61 29.500 29.385 0.115 1
1 735 . 9 1 1 A 61 61 GLU N N 61 112.300 119.682 -7.382 1
1 736 . 9 1 1 A 62 62 GLN H H 62 7.710 7.781 -0.071 1
1 737 . 9 1 1 A 62 62 GLN HA H 62 4.400 4.448 -0.048 1
1 744 . 9 1 1 A 62 62 GLN CA C 62 57.200 56.993 0.207 1
1 745 . 9 1 1 A 62 62 GLN CB C 62 30.800 30.935 -0.135 1
1 747 . 9 1 1 A 62 62 GLN N N 62 115.200 117.373 -2.173 1
1 749 . 9 1 1 A 63 63 LYS H H 63 8.500 8.091 0.409 1
1 750 . 9 1 1 A 63 63 LYS HA H 63 4.860 4.734 0.126 1
1 759 . 9 1 1 A 63 63 LYS CA C 63 53.300 53.717 -0.417 1
1 760 . 9 1 1 A 63 63 LYS CB C 63 33.800 32.759 1.041 1
1 764 . 9 1 1 A 63 63 LYS N N 63 117.800 118.761 -0.961 1
1 765 . 9 1 1 A 64 64 PRO HA H 64 4.110 4.389 -0.279 1
1 772 . 9 1 1 A 64 64 PRO CA C 64 66.000 65.701 0.299 1
1 773 . 9 1 1 A 64 64 PRO CB C 64 31.500 31.963 -0.463 1
1 776 . 9 1 1 A 65 65 GLU H H 65 8.680 8.605 0.075 1
1 777 . 9 1 1 A 65 65 GLU HA H 65 4.120 4.069 0.051 1
1 782 . 9 1 1 A 65 65 GLU CA C 65 59.300 59.564 -0.264 1
1 783 . 9 1 1 A 65 65 GLU CB C 65 28.500 29.328 -0.828 1
1 785 . 9 1 1 A 65 65 GLU N N 65 117.800 118.292 -0.492 1
1 786 . 9 1 1 A 66 66 THR H H 66 7.370 7.917 -0.547 1
1 787 . 9 1 1 A 66 66 THR HA H 66 3.820 3.752 0.068 1
1 792 . 9 1 1 A 66 66 THR CA C 66 66.200 66.354 -0.154 1
1 793 . 9 1 1 A 66 66 THR CB C 66 68.200 68.508 -0.308 1
1 795 . 9 1 1 A 66 66 THR N N 66 117.800 118.191 -0.391 1
1 796 . 9 1 1 A 67 67 ALA H H 67 7.890 8.295 -0.405 1
1 797 . 9 1 1 A 67 67 ALA HA H 67 3.380 3.619 -0.239 1
1 801 . 9 1 1 A 67 67 ALA CA C 67 55.200 54.986 0.214 1
1 802 . 9 1 1 A 67 67 ALA CB C 67 17.400 17.254 0.146 1
1 803 . 9 1 1 A 67 67 ALA N N 67 123.900 123.859 0.041 1
1 804 . 9 1 1 A 68 68 SER H H 68 7.920 7.549 0.371 1
1 805 . 9 1 1 A 68 68 SER HA H 68 4.070 4.113 -0.043 1
1 808 . 9 1 1 A 68 68 SER CA C 68 61.200 61.142 0.058 1
1 809 . 9 1 1 A 68 68 SER CB C 68 62.700 63.005 -0.305 1
1 810 . 9 1 1 A 68 68 SER N N 68 111.500 113.060 -1.560 1
1 811 . 9 1 1 A 69 69 ARG H H 69 7.840 7.493 0.347 1
1 812 . 9 1 1 A 69 69 ARG HA H 69 4.010 4.094 -0.084 1
1 819 . 9 1 1 A 69 69 ARG CA C 69 58.700 58.783 -0.083 1
1 820 . 9 1 1 A 69 69 ARG CB C 69 30.000 30.101 -0.101 1
1 823 . 9 1 1 A 69 69 ARG N N 69 121.200 121.858 -0.658 1
1 824 . 9 1 1 A 70 70 LEU H H 70 8.490 8.664 -0.174 1
1 825 . 9 1 1 A 70 70 LEU HA H 70 3.740 3.918 -0.178 1
1 835 . 9 1 1 A 70 70 LEU CA C 70 57.500 57.450 0.050 1
1 836 . 9 1 1 A 70 70 LEU CB C 70 41.100 41.602 -0.502 1
1 840 . 9 1 1 A 70 70 LEU N N 70 121.100 120.997 0.103 1
1 841 . 9 1 1 A 71 71 ARG H H 71 8.460 8.103 0.357 1
1 842 . 9 1 1 A 71 71 ARG HA H 71 3.540 3.890 -0.350 1
1 850 . 9 1 1 A 71 71 ARG CA C 71 60.700 59.798 0.902 1
1 851 . 9 1 1 A 71 71 ARG CB C 71 28.000 29.867 -1.867 1
1 854 . 9 1 1 A 71 71 ARG N N 71 119.800 119.415 0.385 1
1 856 . 9 1 1 A 72 72 GLY H H 72 7.530 7.885 -0.355 1
1 857 . 9 1 1 A 72 72 GLY HA2 H 72 3.980 3.728 0.252 1
1 858 . 9 1 1 A 72 72 GLY HA3 H 72 3.870 3.757 0.113 1
1 859 . 9 1 1 A 72 72 GLY CA C 72 47.100 47.166 -0.066 1
1 860 . 9 1 1 A 72 72 GLY N N 72 103.400 106.800 -3.400 1
1 861 . 9 1 1 A 73 73 ARG H H 73 7.800 7.774 0.026 1
1 862 . 9 1 1 A 73 73 ARG HA H 73 3.930 4.084 -0.154 1
1 869 . 9 1 1 A 73 73 ARG CA C 73 59.400 59.049 0.351 1
1 870 . 9 1 1 A 73 73 ARG CB C 73 29.500 29.623 -0.123 1
1 873 . 9 1 1 A 73 73 ARG N N 73 122.800 121.896 0.904 1
1 874 . 9 1 1 A 74 74 ILE H H 74 8.420 7.983 0.437 1
1 875 . 9 1 1 A 74 74 ILE HA H 74 3.440 3.905 -0.465 1
1 885 . 9 1 1 A 74 74 ILE CA C 74 66.500 65.703 0.797 1
1 886 . 9 1 1 A 74 74 ILE CB C 74 38.300 37.728 0.572 1
1 890 . 9 1 1 A 74 74 ILE N N 74 118.800 120.912 -2.112 1
1 891 . 9 1 1 A 75 75 GLU H H 75 8.620 8.391 0.229 1
1 892 . 9 1 1 A 75 75 GLU HA H 75 3.840 4.029 -0.189 1
1 897 . 9 1 1 A 75 75 GLU CA C 75 59.900 59.981 -0.081 1
1 898 . 9 1 1 A 75 75 GLU CB C 75 29.400 29.641 -0.241 1
1 900 . 9 1 1 A 75 75 GLU N N 75 119.200 121.755 -2.555 1
1 901 . 9 1 1 A 76 76 SER H H 76 8.380 7.974 0.406 1
1 902 . 9 1 1 A 76 76 SER HA H 76 4.460 4.133 0.327 1
1 905 . 9 1 1 A 76 76 SER CA C 76 62.900 62.620 0.280 1
1 906 . 9 1 1 A 76 76 SER CB C 76 63.000 63.104 -0.104 1
1 907 . 9 1 1 A 76 76 SER N N 76 116.000 116.964 -0.964 1
1 908 . 9 1 1 A 77 77 VAL H H 77 8.190 7.683 0.507 1
1 909 . 9 1 1 A 77 77 VAL HA H 77 3.290 3.204 0.086 1
1 917 . 9 1 1 A 77 77 VAL CA C 77 66.800 66.818 -0.018 1
1 918 . 9 1 1 A 77 77 VAL CB C 77 31.400 31.570 -0.170 1
1 921 . 9 1 1 A 77 77 VAL N N 77 122.800 121.669 1.131 1
1 922 . 9 1 1 A 78 78 LEU H H 78 8.590 8.683 -0.093 1
1 923 . 9 1 1 A 78 78 LEU HA H 78 4.270 4.052 0.218 1
1 933 . 9 1 1 A 78 78 LEU CA C 78 57.800 58.198 -0.398 1
1 934 . 9 1 1 A 78 78 LEU CB C 78 40.900 41.379 -0.479 1
1 938 . 9 1 1 A 78 78 LEU N N 78 116.900 118.747 -1.847 1
1 939 . 9 1 1 A 79 79 ASP H H 79 8.790 8.632 0.158 1
1 940 . 9 1 1 A 79 79 ASP HA H 79 4.730 4.375 0.355 1
1 943 . 9 1 1 A 79 79 ASP CA C 79 57.900 57.357 0.543 1
1 944 . 9 1 1 A 79 79 ASP CB C 79 40.400 41.005 -0.605 1
1 945 . 9 1 1 A 79 79 ASP N N 79 123.800 118.685 5.115 1
1 946 . 9 1 1 A 80 80 TRP H H 80 8.210 7.847 0.363 1
1 947 . 9 1 1 A 80 80 TRP HA H 80 4.380 4.365 0.015 1
1 956 . 9 1 1 A 80 80 TRP CA C 80 61.600 60.614 0.986 1
1 957 . 9 1 1 A 80 80 TRP CB C 80 29.100 29.470 -0.370 1
1 963 . 9 1 1 A 80 80 TRP N N 80 123.700 122.089 1.611 1
1 965 . 9 1 1 A 81 81 ALA H H 81 8.980 8.556 0.424 1
1 966 . 9 1 1 A 81 81 ALA HA H 81 3.850 3.959 -0.109 1
1 970 . 9 1 1 A 81 81 ALA CA C 81 54.500 55.241 -0.741 1
1 971 . 9 1 1 A 81 81 ALA CB C 81 19.600 18.262 1.338 1
1 972 . 9 1 1 A 81 81 ALA N N 81 118.400 121.674 -3.274 1
1 973 . 9 1 1 A 82 82 THR H H 82 7.990 7.994 -0.004 1
1 974 . 9 1 1 A 82 82 THR HA H 82 4.310 4.474 -0.164 1
1 979 . 9 1 1 A 82 82 THR CA C 82 65.800 66.856 -1.056 1
1 980 . 9 1 1 A 82 82 THR CB C 82 68.800 68.396 0.404 1
1 982 . 9 1 1 A 82 82 THR N N 82 116.400 114.459 1.941 1
1 983 . 9 1 1 A 83 83 VAL H H 83 7.970 7.781 0.189 1
1 984 . 9 1 1 A 83 83 VAL HA H 83 3.720 3.446 0.274 1
1 992 . 9 1 1 A 83 83 VAL CA C 83 65.900 66.719 -0.819 1
1 993 . 9 1 1 A 83 83 VAL CB C 83 31.400 31.207 0.193 1
1 996 . 9 1 1 A 83 83 VAL N N 83 123.700 121.254 2.446 1
1 997 . 9 1 1 A 84 84 ARG H H 84 7.300 7.394 -0.094 1
1 998 . 9 1 1 A 84 84 ARG HA H 84 3.740 3.747 -0.007 1
1 1005 . 9 1 1 A 84 84 ARG CA C 84 55.300 55.835 -0.535 1
1 1006 . 9 1 1 A 84 84 ARG CB C 84 29.400 29.480 -0.080 1
1 1009 . 9 1 1 A 84 84 ARG N N 84 115.400 118.026 -2.626 1
1 1010 . 9 1 1 A 85 85 GLY H H 85 7.510 7.351 0.159 1
1 1011 . 9 1 1 A 85 85 GLY HA2 H 85 4.010 3.823 0.187 1
1 1012 . 9 1 1 A 85 85 GLY HA3 H 85 3.830 3.878 -0.048 1
1 1013 . 9 1 1 A 85 85 GLY CA C 85 45.400 45.383 0.017 1
1 1014 . 9 1 1 A 85 85 GLY N N 85 105.600 107.225 -1.625 1
1 1015 . 9 1 1 A 86 86 TYR H H 86 8.120 8.208 -0.088 1
1 1016 . 9 1 1 A 86 86 TYR HA H 86 4.740 4.460 0.280 1
1 1023 . 9 1 1 A 86 86 TYR CA C 86 55.800 59.479 -3.679 1
1 1024 . 9 1 1 A 86 86 TYR CB C 86 38.000 39.218 -1.218 1
1 1027 . 9 1 1 A 86 86 TYR N N 86 118.700 119.220 -0.520 1
1 1028 . 9 1 1 A 87 87 ARG H H 87 7.500 7.820 -0.320 1
1 1029 . 9 1 1 A 87 87 ARG HA H 87 4.710 4.705 0.005 1
1 1037 . 9 1 1 A 87 87 ARG CA C 87 54.100 54.969 -0.869 1
1 1038 . 9 1 1 A 87 87 ARG CB C 87 31.900 33.169 -1.269 1
1 1041 . 9 1 1 A 87 87 ARG N N 87 111.200 115.511 -4.311 1
1 1043 . 9 1 1 A 88 88 GLU H H 88 9.190 8.620 0.570 1
1 1044 . 9 1 1 A 88 88 GLU HA H 88 4.760 4.770 -0.010 1
1 1049 . 9 1 1 A 88 88 GLU CA C 88 54.800 54.969 -0.169 1
1 1050 . 9 1 1 A 88 88 GLU CB C 88 32.500 32.378 0.122 1
1 1052 . 9 1 1 A 88 88 GLU N N 88 118.800 117.524 1.276 1
1 1053 . 9 1 1 A 89 89 GLY H H 89 8.580 8.668 -0.088 1
1 1054 . 9 1 1 A 89 89 GLY HA2 H 89 3.850 3.920 -0.070 1
1 1055 . 9 1 1 A 89 89 GLY HA3 H 89 4.500 3.921 0.579 1
1 1056 . 9 1 1 A 89 89 GLY CA C 89 43.700 46.531 -2.831 1
1 1057 . 9 1 1 A 89 89 GLY N N 89 107.900 109.009 -1.109 1
1 1058 . 9 1 1 A 90 90 ASP H H 90 8.630 8.607 0.023 1
1 1059 . 9 1 1 A 90 90 ASP HA H 90 4.480 4.541 -0.061 1
1 1062 . 9 1 1 A 90 90 ASP CA C 90 54.600 54.969 -0.369 1
1 1063 . 9 1 1 A 90 90 ASP CB C 90 40.500 40.323 0.177 1
1 1064 . 9 1 1 A 90 90 ASP N N 90 120.700 124.463 -3.763 1
1 1065 . 9 1 1 A 91 91 ASN H H 91 8.930 8.504 0.426 1
1 1066 . 9 1 1 A 91 91 ASN HA H 91 4.580 5.187 -0.607 1
1 1071 . 9 1 1 A 91 91 ASN CA C 91 51.100 49.645 1.455 1
1 1072 . 9 1 1 A 91 91 ASN CB C 91 39.100 42.139 -3.039 1
1 1073 . 9 1 1 A 91 91 ASN N N 91 122.700 118.676 4.024 1
1 1075 . 9 1 1 A 92 92 PRO HA H 92 4.490 4.384 0.106 1
1 1082 . 9 1 1 A 92 92 PRO CA C 92 63.500 63.879 -0.379 1
1 1083 . 9 1 1 A 92 92 PRO CB C 92 32.300 31.732 0.568 1
1 1086 . 9 1 1 A 93 93 ALA H H 93 8.610 7.887 0.723 1
1 1087 . 9 1 1 A 93 93 ALA HA H 93 4.450 4.370 0.080 1
1 1091 . 9 1 1 A 93 93 ALA CA C 93 52.000 52.713 -0.713 1
1 1092 . 9 1 1 A 93 93 ALA CB C 93 18.100 19.461 -1.361 1
1 1093 . 9 1 1 A 93 93 ALA N N 93 120.500 119.230 1.270 1
1 1094 . 9 1 1 A 94 94 ARG H H 94 7.280 7.798 -0.518 1
1 1095 . 9 1 1 A 94 94 ARG HA H 94 3.830 4.697 -0.867 1
1 1102 . 9 1 1 A 94 94 ARG CA C 94 55.500 56.084 -0.584 1
1 1103 . 9 1 1 A 94 94 ARG CB C 94 30.500 31.538 -1.038 1
1 1106 . 9 1 1 A 94 94 ARG N N 94 118.100 116.994 1.106 1
1 1107 . 9 1 1 A 95 95 TRP H H 95 7.310 8.875 -1.565 1
1 1108 . 9 1 1 A 95 95 TRP HA H 95 4.610 5.165 -0.555 1
1 1117 . 9 1 1 A 95 95 TRP CA C 95 55.200 56.949 -1.749 1
1 1118 . 9 1 1 A 95 95 TRP CB C 95 29.500 31.550 -2.050 1
1 1124 . 9 1 1 A 95 95 TRP N N 95 121.200 123.381 -2.181 1
1 1126 . 9 1 1 A 96 96 ARG H H 96 8.380 8.895 -0.515 1
1 1127 . 9 1 1 A 96 96 ARG HA H 96 4.140 4.394 -0.254 1
1 1134 . 9 1 1 A 96 96 ARG CA C 96 57.200 58.228 -1.028 1
1 1135 . 9 1 1 A 96 96 ARG CB C 96 29.900 31.001 -1.101 1
1 1138 . 9 1 1 A 96 96 ARG N N 96 122.100 125.890 -3.790 1
1 1139 . 9 1 1 A 97 97 GLY H H 97 7.920 8.232 -0.312 1
1 1140 . 9 1 1 A 97 97 GLY HA2 H 97 3.710 4.130 -0.420 1
1 1141 . 9 1 1 A 97 97 GLY HA3 H 97 3.630 4.268 -0.638 1
1 1142 . 9 1 1 A 97 97 GLY CA C 97 45.700 44.859 0.841 1
1 1143 . 9 1 1 A 97 97 GLY N N 97 110.500 108.281 2.219 1
1 1144 . 9 1 1 A 98 98 TYR H H 98 7.770 8.339 -0.569 1
1 1145 . 9 1 1 A 98 98 TYR HA H 98 4.090 4.514 -0.424 1
1 1152 . 9 1 1 A 98 98 TYR CA C 98 59.900 57.211 2.689 1
1 1153 . 9 1 1 A 98 98 TYR CB C 98 37.100 40.063 -2.963 1
1 1156 . 9 1 1 A 98 98 TYR N N 98 120.400 120.568 -0.168 1
1 1157 . 9 1 1 A 99 99 LEU H H 99 7.820 7.530 0.290 1
1 1158 . 9 1 1 A 99 99 LEU HA H 99 3.890 4.558 -0.668 1
1 1168 . 9 1 1 A 99 99 LEU CA C 99 55.600 55.956 -0.356 1
1 1169 . 9 1 1 A 99 99 LEU CB C 99 41.600 43.836 -2.236 1
1 1173 . 9 1 1 A 99 99 LEU N N 99 120.700 119.937 0.763 1
1 1174 . 9 1 1 A 100 100 GLU H H 100 7.680 7.861 -0.181 1
1 1175 . 9 1 1 A 100 100 GLU HA H 100 3.900 4.356 -0.456 1
1 1180 . 9 1 1 A 100 100 GLU CA C 100 56.500 55.576 0.924 1
1 1181 . 9 1 1 A 100 100 GLU CB C 100 29.500 31.109 -1.609 1
1 13 . 10 1 1 A 2 2 THR H H 2 9.230 9.161 0.069 1
1 14 . 10 1 1 A 2 2 THR HA H 2 5.080 4.918 0.162 1
1 19 . 10 1 1 A 2 2 THR CA C 2 61.000 60.921 0.079 1
1 20 . 10 1 1 A 2 2 THR CB C 2 70.800 71.412 -0.612 1
1 22 . 10 1 1 A 2 2 THR N N 2 119.100 117.288 1.812 1
1 23 . 10 1 1 A 3 3 PHE H H 3 9.290 9.332 -0.042 1
1 24 . 10 1 1 A 3 3 PHE HA H 3 3.880 4.141 -0.261 1
1 32 . 10 1 1 A 3 3 PHE CA C 3 63.900 62.151 1.749 1
1 33 . 10 1 1 A 3 3 PHE CB C 3 38.800 39.188 -0.388 1
1 37 . 10 1 1 A 3 3 PHE N N 3 122.600 123.299 -0.699 1
1 38 . 10 1 1 A 4 4 SER H H 4 9.930 8.165 1.765 1
1 39 . 10 1 1 A 4 4 SER HA H 4 4.000 4.137 -0.137 1
1 42 . 10 1 1 A 4 4 SER CA C 4 62.800 62.138 0.662 1
1 43 . 10 1 1 A 4 4 SER CB C 4 62.600 62.754 -0.154 1
1 44 . 10 1 1 A 4 4 SER N N 4 116.300 116.566 -0.266 1
1 45 . 10 1 1 A 5 5 GLU H H 5 7.980 7.395 0.585 1
1 46 . 10 1 1 A 5 5 GLU HA H 5 3.990 4.019 -0.029 1
1 51 . 10 1 1 A 5 5 GLU CA C 5 58.800 59.021 -0.221 1
1 52 . 10 1 1 A 5 5 GLU CB C 5 29.700 29.715 -0.015 1
1 54 . 10 1 1 A 5 5 GLU N N 5 122.800 121.303 1.497 1
1 55 . 10 1 1 A 6 6 CYS H H 6 8.430 7.890 0.540 1
1 56 . 10 1 1 A 6 6 CYS HA H 6 4.120 4.245 -0.125 1
1 59 . 10 1 1 A 6 6 CYS CA C 6 63.300 61.854 1.446 1
1 60 . 10 1 1 A 6 6 CYS CB C 6 27.100 27.142 -0.042 1
1 61 . 10 1 1 A 6 6 CYS N N 6 120.100 119.513 0.587 1
1 62 . 10 1 1 A 7 7 ALA H H 7 8.770 8.296 0.474 1
1 63 . 10 1 1 A 7 7 ALA HA H 7 3.790 3.901 -0.111 1
1 67 . 10 1 1 A 7 7 ALA CA C 7 55.200 54.887 0.313 1
1 68 . 10 1 1 A 7 7 ALA CB C 7 17.400 17.883 -0.483 1
1 69 . 10 1 1 A 7 7 ALA N N 7 120.400 122.259 -1.859 1
1 70 . 10 1 1 A 8 8 ALA H H 8 7.800 8.051 -0.251 1
1 71 . 10 1 1 A 8 8 ALA HA H 8 4.130 4.129 0.001 1
1 75 . 10 1 1 A 8 8 ALA CA C 8 55.200 54.994 0.206 1
1 76 . 10 1 1 A 8 8 ALA CB C 8 17.700 17.968 -0.268 1
1 77 . 10 1 1 A 8 8 ALA N N 8 119.200 120.659 -1.459 1
1 78 . 10 1 1 A 9 9 LEU H H 9 8.120 8.128 -0.008 1
1 79 . 10 1 1 A 9 9 LEU HA H 9 4.080 3.949 0.131 1
1 89 . 10 1 1 A 9 9 LEU CA C 9 57.700 57.830 -0.130 1
1 90 . 10 1 1 A 9 9 LEU CB C 9 42.000 42.063 -0.063 1
1 94 . 10 1 1 A 9 9 LEU N N 9 120.300 118.939 1.361 1
1 95 . 10 1 1 A 10 10 TYR H H 10 8.700 8.425 0.275 1
1 96 . 10 1 1 A 10 10 TYR HA H 10 2.330 2.959 -0.629 1
1 103 . 10 1 1 A 10 10 TYR CA C 10 62.000 61.076 0.924 1
1 104 . 10 1 1 A 10 10 TYR CB C 10 38.100 38.208 -0.108 1
1 107 . 10 1 1 A 10 10 TYR N N 10 122.900 118.683 4.217 1
1 108 . 10 1 1 A 11 11 ILE H H 11 8.600 7.900 0.700 1
1 109 . 10 1 1 A 11 11 ILE HA H 11 3.270 2.952 0.318 1
1 119 . 10 1 1 A 11 11 ILE CA C 11 65.600 64.510 1.090 1
1 120 . 10 1 1 A 11 11 ILE CB C 11 38.200 37.618 0.582 1
1 124 . 10 1 1 A 11 11 ILE N N 11 123.900 120.643 3.257 1
1 125 . 10 1 1 A 12 12 LYS H H 12 7.910 8.259 -0.349 1
1 126 . 10 1 1 A 12 12 LYS HA H 12 3.870 4.003 -0.133 1
1 135 . 10 1 1 A 12 12 LYS CA C 12 59.900 59.294 0.606 1
1 136 . 10 1 1 A 12 12 LYS CB C 12 32.600 32.153 0.447 1
1 140 . 10 1 1 A 12 12 LYS N N 12 120.600 120.034 0.566 1
1 141 . 10 1 1 A 13 13 ALA H H 13 7.790 7.828 -0.038 1
1 142 . 10 1 1 A 13 13 ALA HA H 13 4.100 4.003 0.097 1
1 146 . 10 1 1 A 13 13 ALA CA C 13 53.200 53.999 -0.799 1
1 147 . 10 1 1 A 13 13 ALA CB C 13 18.200 18.083 0.117 1
1 148 . 10 1 1 A 13 13 ALA N N 13 118.100 120.528 -2.428 1
1 149 . 10 1 1 A 14 14 HIS H H 14 7.160 7.090 0.070 1
1 150 . 10 1 1 A 14 14 HIS HA H 14 3.990 4.482 -0.492 1
1 155 . 10 1 1 A 14 14 HIS CA C 14 56.500 54.978 1.522 1
1 156 . 10 1 1 A 14 14 HIS CB C 14 27.000 29.906 -2.906 1
1 159 . 10 1 1 A 14 14 HIS N N 14 113.200 115.726 -2.526 1
1 160 . 10 1 1 A 15 15 ARG H H 15 7.420 7.931 -0.511 1
1 161 . 10 1 1 A 15 15 ARG HA H 15 3.760 4.151 -0.391 1
1 168 . 10 1 1 A 15 15 ARG CA C 15 59.800 58.436 1.364 1
1 169 . 10 1 1 A 15 15 ARG CB C 15 29.800 29.406 0.394 1
1 172 . 10 1 1 A 15 15 ARG N N 15 121.100 119.640 1.460 1
1 173 . 10 1 1 A 16 16 SER H H 16 8.540 7.981 0.559 1
1 174 . 10 1 1 A 16 16 SER HA H 16 4.230 4.093 0.137 1
1 177 . 10 1 1 A 16 16 SER CA C 16 60.800 61.970 -1.170 1
1 178 . 10 1 1 A 16 16 SER CB C 16 62.200 62.816 -0.616 1
1 179 . 10 1 1 A 16 16 SER N N 16 114.100 118.581 -4.481 1
1 180 . 10 1 1 A 17 17 SER H H 17 7.680 7.857 -0.177 1
1 181 . 10 1 1 A 17 17 SER HA H 17 4.370 4.401 -0.031 1
1 184 . 10 1 1 A 17 17 SER CA C 17 59.800 61.171 -1.371 1
1 185 . 10 1 1 A 17 17 SER CB C 17 63.100 63.470 -0.370 1
1 186 . 10 1 1 A 17 17 SER N N 17 116.700 117.701 -1.001 1
1 187 . 10 1 1 A 18 18 TRP H H 18 7.640 8.128 -0.488 1
1 188 . 10 1 1 A 18 18 TRP HA H 18 4.990 4.988 0.002 1
1 197 . 10 1 1 A 18 18 TRP CA C 18 55.200 55.158 0.042 1
1 198 . 10 1 1 A 18 18 TRP CB C 18 29.500 27.604 1.896 1
1 204 . 10 1 1 A 18 18 TRP N N 18 121.200 119.748 1.452 1
1 206 . 10 1 1 A 19 19 LYS H H 19 7.920 7.616 0.304 1
1 207 . 10 1 1 A 19 19 LYS HA H 19 4.180 4.102 0.078 1
1 216 . 10 1 1 A 19 19 LYS CA C 19 58.100 57.619 0.481 1
1 217 . 10 1 1 A 19 19 LYS CB C 19 32.200 32.416 -0.216 1
1 221 . 10 1 1 A 19 19 LYS N N 19 121.100 120.780 0.320 1
1 222 . 10 1 1 A 20 20 ASN H H 20 8.630 8.943 -0.313 1
1 223 . 10 1 1 A 20 20 ASN HA H 20 4.760 4.402 0.358 1
1 228 . 10 1 1 A 20 20 ASN CA C 20 53.600 54.553 -0.953 1
1 229 . 10 1 1 A 20 20 ASN CB C 20 38.200 38.184 0.016 1
1 230 . 10 1 1 A 20 20 ASN N N 20 116.500 121.610 -5.110 1
1 232 . 10 1 1 A 21 21 THR H H 21 8.320 7.815 0.505 1
1 233 . 10 1 1 A 21 21 THR HA H 21 4.470 4.593 -0.123 1
1 238 . 10 1 1 A 21 21 THR CA C 21 62.500 60.712 1.788 1
1 239 . 10 1 1 A 21 21 THR CB C 21 70.700 70.404 0.296 1
1 241 . 10 1 1 A 21 21 THR N N 21 113.700 111.703 1.997 1
1 242 . 10 1 1 A 22 22 LYS H H 22 8.440 8.668 -0.228 1
1 243 . 10 1 1 A 22 22 LYS HA H 22 4.500 4.187 0.313 1
1 252 . 10 1 1 A 22 22 LYS CA C 22 56.700 58.381 -1.681 1
1 253 . 10 1 1 A 22 22 LYS CB C 22 31.700 31.859 -0.159 1
1 257 . 10 1 1 A 22 22 LYS N N 22 120.900 119.736 1.164 1
1 258 . 10 1 1 A 23 23 HIS H H 23 8.110 7.803 0.307 1
1 259 . 10 1 1 A 23 23 HIS HA H 23 4.450 4.378 0.072 1
1 264 . 10 1 1 A 23 23 HIS CA C 23 57.300 58.565 -1.265 1
1 265 . 10 1 1 A 23 23 HIS CB C 23 27.900 28.823 -0.923 1
1 268 . 10 1 1 A 23 23 HIS N N 23 116.800 118.734 -1.934 1
1 269 . 10 1 1 A 24 24 ALA H H 24 8.490 7.478 1.012 1
1 270 . 10 1 1 A 24 24 ALA HA H 24 4.000 3.563 0.437 1
1 274 . 10 1 1 A 24 24 ALA CA C 24 55.700 54.826 0.874 1
1 275 . 10 1 1 A 24 24 ALA CB C 24 18.000 17.897 0.103 1
1 276 . 10 1 1 A 24 24 ALA N N 24 121.700 123.052 -1.352 1
1 277 . 10 1 1 A 25 25 ASP H H 25 8.370 8.231 0.139 1
1 278 . 10 1 1 A 25 25 ASP HA H 25 4.450 4.373 0.077 1
1 281 . 10 1 1 A 25 25 ASP CA C 25 56.800 57.883 -1.083 1
1 282 . 10 1 1 A 25 25 ASP CB C 25 40.200 41.962 -1.762 1
1 283 . 10 1 1 A 25 25 ASP N N 25 119.100 118.506 0.594 1
1 284 . 10 1 1 A 26 26 GLN H H 26 8.020 8.426 -0.406 1
1 285 . 10 1 1 A 26 26 GLN HA H 26 4.250 4.061 0.189 1
1 292 . 10 1 1 A 26 26 GLN CA C 26 58.600 59.034 -0.434 1
1 293 . 10 1 1 A 26 26 GLN CB C 26 28.500 28.420 0.080 1
1 295 . 10 1 1 A 26 26 GLN N N 26 119.500 117.220 2.280 1
1 297 . 10 1 1 A 27 27 TRP H H 27 8.610 7.696 0.914 1
1 298 . 10 1 1 A 27 27 TRP HA H 27 3.840 4.565 -0.725 1
1 307 . 10 1 1 A 27 27 TRP CA C 27 62.400 60.166 2.234 1
1 308 . 10 1 1 A 27 27 TRP CB C 27 28.300 29.511 -1.211 1
1 314 . 10 1 1 A 27 27 TRP N N 27 122.000 120.831 1.169 1
1 316 . 10 1 1 A 28 28 THR H H 28 8.460 8.340 0.120 1
1 317 . 10 1 1 A 28 28 THR HA H 28 3.790 4.151 -0.361 1
1 322 . 10 1 1 A 28 28 THR CA C 28 67.000 67.339 -0.339 1
1 323 . 10 1 1 A 28 28 THR CB C 28 68.900 68.345 0.555 1
1 325 . 10 1 1 A 28 28 THR N N 28 114.800 115.016 -0.216 1
1 326 . 10 1 1 A 29 29 ASN H H 29 8.650 9.157 -0.507 1
1 327 . 10 1 1 A 29 29 ASN HA H 29 4.530 4.464 0.066 1
1 332 . 10 1 1 A 29 29 ASN CA C 29 56.600 56.547 0.053 1
1 333 . 10 1 1 A 29 29 ASN CB C 29 38.400 39.068 -0.668 1
1 334 . 10 1 1 A 29 29 ASN N N 29 118.500 119.687 -1.187 1
1 336 . 10 1 1 A 30 30 THR H H 30 8.170 7.851 0.319 1
1 337 . 10 1 1 A 30 30 THR HA H 30 4.160 4.189 -0.029 1
1 342 . 10 1 1 A 30 30 THR CA C 30 66.100 66.065 0.035 1
1 343 . 10 1 1 A 30 30 THR CB C 30 69.300 68.179 1.121 1
1 345 . 10 1 1 A 30 30 THR N N 30 113.100 113.529 -0.429 1
1 346 . 10 1 1 A 31 31 ILE H H 31 8.030 7.742 0.288 1
1 347 . 10 1 1 A 31 31 ILE HA H 31 3.850 3.731 0.119 1
1 357 . 10 1 1 A 31 31 ILE CA C 31 65.200 64.746 0.454 1
1 358 . 10 1 1 A 31 31 ILE CB C 31 36.300 37.290 -0.990 1
1 362 . 10 1 1 A 31 31 ILE N N 31 122.000 124.276 -2.276 1
1 363 . 10 1 1 A 32 32 LYS H H 32 8.320 8.283 0.037 1
1 364 . 10 1 1 A 32 32 LYS HA H 32 4.090 4.063 0.027 1
1 373 . 10 1 1 A 32 32 LYS CA C 32 60.500 59.568 0.932 1
1 374 . 10 1 1 A 32 32 LYS CB C 32 32.500 32.181 0.319 1
1 378 . 10 1 1 A 32 32 LYS N N 32 121.300 121.347 -0.047 1
1 379 . 10 1 1 A 33 33 THR H H 33 8.160 7.647 0.513 1
1 380 . 10 1 1 A 33 33 THR HA H 33 3.690 3.979 -0.289 1
1 385 . 10 1 1 A 33 33 THR CA C 33 66.500 66.277 0.223 1
1 386 . 10 1 1 A 33 33 THR CB C 33 69.200 69.042 0.158 1
1 388 . 10 1 1 A 33 33 THR N N 33 113.400 116.192 -2.792 1
1 389 . 10 1 1 A 34 34 TYR H H 34 7.640 8.365 -0.725 1
1 390 . 10 1 1 A 34 34 TYR HA H 34 4.670 4.350 0.320 1
1 397 . 10 1 1 A 34 34 TYR CA C 34 59.800 60.309 -0.509 1
1 398 . 10 1 1 A 34 34 TYR CB C 34 39.800 38.892 0.908 1
1 401 . 10 1 1 A 34 34 TYR N N 34 113.700 119.060 -5.360 1
1 402 . 10 1 1 A 35 35 CYS H H 35 8.170 8.031 0.139 1
1 403 . 10 1 1 A 35 35 CYS HA H 35 4.470 4.564 -0.094 1
1 406 . 10 1 1 A 35 35 CYS CA C 35 60.700 60.392 0.308 1
1 407 . 10 1 1 A 35 35 CYS CB C 35 27.700 28.372 -0.672 1
1 408 . 10 1 1 A 35 35 CYS N N 35 113.100 118.202 -5.102 1
1 409 . 10 1 1 A 36 36 GLY H H 36 8.110 8.386 -0.276 1
1 410 . 10 1 1 A 36 36 GLY HA2 H 36 3.880 3.841 0.039 1
1 411 . 10 1 1 A 36 36 GLY HA3 H 36 4.480 3.889 0.591 1
1 412 . 10 1 1 A 36 36 GLY CA C 36 49.400 48.342 1.058 1
1 413 . 10 1 1 A 36 36 GLY N N 36 110.800 109.690 1.110 1
1 414 . 10 1 1 A 37 37 PRO HA H 37 4.470 4.320 0.150 1
1 421 . 10 1 1 A 37 37 PRO CA C 37 64.400 65.155 -0.755 1
1 422 . 10 1 1 A 37 37 PRO CB C 37 32.700 31.486 1.214 1
1 425 . 10 1 1 A 38 38 VAL H H 38 7.270 7.356 -0.086 1
1 426 . 10 1 1 A 38 38 VAL HA H 38 4.190 3.942 0.248 1
1 434 . 10 1 1 A 38 38 VAL CA C 38 63.600 63.919 -0.319 1
1 435 . 10 1 1 A 38 38 VAL CB C 38 34.800 32.071 2.729 1
1 438 . 10 1 1 A 38 38 VAL N N 38 113.900 115.921 -2.021 1
1 439 . 10 1 1 A 39 39 ILE H H 39 7.590 7.878 -0.288 1
1 440 . 10 1 1 A 39 39 ILE HA H 39 4.590 4.111 0.479 1
1 450 . 10 1 1 A 39 39 ILE CA C 39 60.500 62.122 -1.622 1
1 451 . 10 1 1 A 39 39 ILE CB C 39 39.500 37.799 1.701 1
1 455 . 10 1 1 A 39 39 ILE N N 39 107.400 115.790 -8.390 1
1 456 . 10 1 1 A 40 40 GLY H H 40 7.670 7.917 -0.247 1
1 457 . 10 1 1 A 40 40 GLY HA2 H 40 4.040 3.877 0.163 1
1 458 . 10 1 1 A 40 40 GLY HA3 H 40 4.430 4.018 0.412 1
1 459 . 10 1 1 A 40 40 GLY CA C 40 49.400 48.298 1.102 1
1 460 . 10 1 1 A 40 40 GLY N N 40 109.200 112.496 -3.296 1
1 461 . 10 1 1 A 41 41 PRO HA H 41 4.770 4.446 0.324 1
1 468 . 10 1 1 A 41 41 PRO CA C 41 63.200 64.052 -0.852 1
1 469 . 10 1 1 A 41 41 PRO CB C 41 31.800 31.783 0.017 1
1 472 . 10 1 1 A 42 42 LEU H H 42 7.540 7.611 -0.071 1
1 473 . 10 1 1 A 42 42 LEU HA H 42 4.320 4.417 -0.097 1
1 483 . 10 1 1 A 42 42 LEU CA C 42 54.000 54.275 -0.275 1
1 484 . 10 1 1 A 42 42 LEU CB C 42 42.000 42.904 -0.904 1
1 488 . 10 1 1 A 42 42 LEU N N 42 119.600 120.049 -0.449 1
1 489 . 10 1 1 A 43 43 SER H H 43 8.880 8.681 0.199 1
1 490 . 10 1 1 A 43 43 SER HA H 43 4.510 4.567 -0.057 1
1 493 . 10 1 1 A 43 43 SER CA C 43 58.600 58.737 -0.137 1
1 494 . 10 1 1 A 43 43 SER CB C 43 63.000 63.569 -0.569 1
1 495 . 10 1 1 A 43 43 SER N N 43 116.100 117.529 -1.429 1
1 496 . 10 1 1 A 44 44 VAL H H 44 9.020 8.364 0.656 1
1 497 . 10 1 1 A 44 44 VAL HA H 44 3.920 4.104 -0.184 1
1 505 . 10 1 1 A 44 44 VAL CA C 44 65.900 64.797 1.103 1
1 506 . 10 1 1 A 44 44 VAL CB C 44 32.100 31.961 0.139 1
1 509 . 10 1 1 A 44 44 VAL N N 44 124.400 126.794 -2.394 1
1 510 . 10 1 1 A 45 45 GLN H H 45 8.700 7.679 1.021 1
1 511 . 10 1 1 A 45 45 GLN HA H 45 4.170 4.138 0.032 1
1 518 . 10 1 1 A 45 45 GLN CA C 45 57.400 58.540 -1.140 1
1 519 . 10 1 1 A 45 45 GLN CB C 45 29.000 28.196 0.804 1
1 521 . 10 1 1 A 45 45 GLN N N 45 120.500 120.571 -0.071 1
1 523 . 10 1 1 A 46 46 ASP H H 46 7.870 7.851 0.019 1
1 524 . 10 1 1 A 46 46 ASP HA H 46 4.720 4.562 0.158 1
1 527 . 10 1 1 A 46 46 ASP CA C 46 54.400 56.172 -1.772 1
1 528 . 10 1 1 A 46 46 ASP CB C 46 40.800 41.174 -0.374 1
1 529 . 10 1 1 A 46 46 ASP N N 46 117.200 119.857 -2.657 1
1 530 . 10 1 1 A 47 47 VAL H H 47 6.970 7.411 -0.441 1
1 531 . 10 1 1 A 47 47 VAL HA H 47 3.490 3.897 -0.407 1
1 539 . 10 1 1 A 47 47 VAL CA C 47 65.200 63.133 2.067 1
1 540 . 10 1 1 A 47 47 VAL CB C 47 31.100 31.659 -0.559 1
1 543 . 10 1 1 A 47 47 VAL N N 47 118.500 120.376 -1.876 1
1 544 . 10 1 1 A 48 48 ASP H H 48 7.220 8.398 -1.178 1
1 545 . 10 1 1 A 48 48 ASP HA H 48 4.910 5.050 -0.140 1
1 548 . 10 1 1 A 48 48 ASP CA C 48 51.600 52.270 -0.670 1
1 549 . 10 1 1 A 48 48 ASP CB C 48 42.700 44.152 -1.452 1
1 550 . 10 1 1 A 48 48 ASP N N 48 128.000 128.335 -0.335 1
1 551 . 10 1 1 A 49 49 THR H H 49 8.490 8.891 -0.401 1
1 552 . 10 1 1 A 49 49 THR HA H 49 3.770 3.778 -0.008 1
1 557 . 10 1 1 A 49 49 THR CA C 49 67.300 66.010 1.290 1
1 558 . 10 1 1 A 49 49 THR CB C 49 68.900 68.587 0.313 1
1 560 . 10 1 1 A 49 49 THR N N 49 115.800 118.721 -2.921 1
1 561 . 10 1 1 A 50 50 LYS H H 50 7.860 7.937 -0.077 1
1 562 . 10 1 1 A 50 50 LYS HA H 50 3.860 4.021 -0.161 1
1 571 . 10 1 1 A 50 50 LYS CA C 50 60.000 59.958 0.042 1
1 572 . 10 1 1 A 50 50 LYS CB C 50 31.600 32.386 -0.786 1
1 576 . 10 1 1 A 50 50 LYS N N 50 120.500 120.546 -0.046 1
1 577 . 10 1 1 A 51 51 LEU H H 51 8.190 8.117 0.073 1
1 578 . 10 1 1 A 51 51 LEU HA H 51 4.050 4.033 0.017 1
1 588 . 10 1 1 A 51 51 LEU CA C 51 57.600 58.103 -0.503 1
1 589 . 10 1 1 A 51 51 LEU CB C 51 42.400 41.521 0.879 1
1 593 . 10 1 1 A 51 51 LEU N N 51 120.600 120.101 0.499 1
1 594 . 10 1 1 A 52 52 ILE H H 52 7.850 8.047 -0.197 1
1 595 . 10 1 1 A 52 52 ILE HA H 52 3.440 3.582 -0.142 1
1 605 . 10 1 1 A 52 52 ILE CA C 52 65.200 64.772 0.428 1
1 606 . 10 1 1 A 52 52 ILE CB C 52 36.700 37.325 -0.625 1
1 610 . 10 1 1 A 52 52 ILE N N 52 118.600 120.315 -1.715 1
1 611 . 10 1 1 A 53 53 MET H H 53 8.540 8.183 0.357 1
1 612 . 10 1 1 A 53 53 MET HA H 53 4.040 4.281 -0.241 1
1 620 . 10 1 1 A 53 53 MET CA C 53 59.000 59.365 -0.365 1
1 621 . 10 1 1 A 53 53 MET CB C 53 31.300 33.299 -1.999 1
1 624 . 10 1 1 A 53 53 MET N N 53 118.600 119.131 -0.531 1
1 625 . 10 1 1 A 54 54 LYS H H 54 7.620 7.706 -0.086 1
1 626 . 10 1 1 A 54 54 LYS HA H 54 4.140 4.152 -0.012 1
1 635 . 10 1 1 A 54 54 LYS CA C 54 59.200 59.102 0.098 1
1 636 . 10 1 1 A 54 54 LYS CB C 54 32.300 32.688 -0.388 1
1 640 . 10 1 1 A 54 54 LYS N N 54 119.100 119.031 0.069 1
1 641 . 10 1 1 A 55 55 VAL H H 55 7.560 7.345 0.215 1
1 642 . 10 1 1 A 55 55 VAL HA H 55 3.670 3.653 0.017 1
1 650 . 10 1 1 A 55 55 VAL CA C 55 65.600 66.097 -0.497 1
1 651 . 10 1 1 A 55 55 VAL CB C 55 31.900 31.745 0.155 1
1 654 . 10 1 1 A 55 55 VAL N N 55 117.200 119.761 -2.561 1
1 655 . 10 1 1 A 56 56 LEU H H 56 7.790 7.698 0.092 1
1 656 . 10 1 1 A 56 56 LEU HA H 56 3.900 3.982 -0.082 1
1 666 . 10 1 1 A 56 56 LEU CA C 56 56.400 56.898 -0.498 1
1 667 . 10 1 1 A 56 56 LEU CB C 56 42.700 42.162 0.538 1
1 671 . 10 1 1 A 56 56 LEU N N 56 114.400 119.428 -5.028 1
1 672 . 10 1 1 A 57 57 ASP H H 57 8.850 8.163 0.687 1
1 673 . 10 1 1 A 57 57 ASP HA H 57 4.140 4.549 -0.409 1
1 676 . 10 1 1 A 57 57 ASP CA C 57 59.100 59.383 -0.283 1
1 677 . 10 1 1 A 57 57 ASP CB C 57 38.200 38.304 -0.104 1
1 678 . 10 1 1 A 57 57 ASP N N 57 120.500 121.568 -1.068 1
1 679 . 10 1 1 A 58 58 PRO HA H 58 4.520 4.447 0.073 1
1 686 . 10 1 1 A 58 58 PRO CA C 58 65.300 64.923 0.377 1
1 687 . 10 1 1 A 58 58 PRO CB C 58 31.700 31.517 0.183 1
1 690 . 10 1 1 A 59 59 ILE H H 59 7.400 7.625 -0.225 1
1 691 . 10 1 1 A 59 59 ILE HA H 59 4.060 3.915 0.145 1
1 701 . 10 1 1 A 59 59 ILE CA C 59 62.300 63.757 -1.457 1
1 702 . 10 1 1 A 59 59 ILE CB C 59 39.300 37.021 2.279 1
1 706 . 10 1 1 A 59 59 ILE N N 59 113.300 116.390 -3.090 1
1 707 . 10 1 1 A 60 60 TRP H H 60 8.000 8.300 -0.300 1
1 708 . 10 1 1 A 60 60 TRP HA H 60 3.830 4.436 -0.606 1
1 717 . 10 1 1 A 60 60 TRP CA C 60 61.300 59.992 1.308 1
1 718 . 10 1 1 A 60 60 TRP CB C 60 29.700 29.525 0.175 1
1 724 . 10 1 1 A 60 60 TRP N N 60 120.900 120.731 0.169 1
1 726 . 10 1 1 A 61 61 GLU H H 61 7.840 8.815 -0.975 1
1 727 . 10 1 1 A 61 61 GLU HA H 61 4.110 4.136 -0.026 1
1 732 . 10 1 1 A 61 61 GLU CA C 61 58.100 59.880 -1.780 1
1 733 . 10 1 1 A 61 61 GLU CB C 61 29.500 29.416 0.084 1
1 735 . 10 1 1 A 61 61 GLU N N 61 112.300 119.784 -7.484 1
1 736 . 10 1 1 A 62 62 GLN H H 62 7.710 7.969 -0.259 1
1 737 . 10 1 1 A 62 62 GLN HA H 62 4.400 4.474 -0.074 1
1 744 . 10 1 1 A 62 62 GLN CA C 62 57.200 56.812 0.388 1
1 745 . 10 1 1 A 62 62 GLN CB C 62 30.800 30.904 -0.104 1
1 747 . 10 1 1 A 62 62 GLN N N 62 115.200 116.206 -1.006 1
1 749 . 10 1 1 A 63 63 LYS H H 63 8.500 8.275 0.225 1
1 750 . 10 1 1 A 63 63 LYS HA H 63 4.860 4.715 0.145 1
1 759 . 10 1 1 A 63 63 LYS CA C 63 53.300 53.877 -0.577 1
1 760 . 10 1 1 A 63 63 LYS CB C 63 33.800 32.652 1.148 1
1 764 . 10 1 1 A 63 63 LYS N N 63 117.800 118.709 -0.909 1
1 765 . 10 1 1 A 64 64 PRO HA H 64 4.110 4.354 -0.244 1
1 772 . 10 1 1 A 64 64 PRO CA C 64 66.000 65.810 0.190 1
1 773 . 10 1 1 A 64 64 PRO CB C 64 31.500 31.800 -0.300 1
1 776 . 10 1 1 A 65 65 GLU H H 65 8.680 8.263 0.417 1
1 777 . 10 1 1 A 65 65 GLU HA H 65 4.120 4.106 0.014 1
1 782 . 10 1 1 A 65 65 GLU CA C 65 59.300 59.608 -0.308 1
1 783 . 10 1 1 A 65 65 GLU CB C 65 28.500 29.350 -0.850 1
1 785 . 10 1 1 A 65 65 GLU N N 65 117.800 118.498 -0.698 1
1 786 . 10 1 1 A 66 66 THR H H 66 7.370 7.953 -0.583 1
1 787 . 10 1 1 A 66 66 THR HA H 66 3.820 3.731 0.089 1
1 792 . 10 1 1 A 66 66 THR CA C 66 66.200 66.347 -0.147 1
1 793 . 10 1 1 A 66 66 THR CB C 66 68.200 68.443 -0.243 1
1 795 . 10 1 1 A 66 66 THR N N 66 117.800 117.204 0.596 1
1 796 . 10 1 1 A 67 67 ALA H H 67 7.890 7.876 0.014 1
1 797 . 10 1 1 A 67 67 ALA HA H 67 3.380 3.628 -0.248 1
1 801 . 10 1 1 A 67 67 ALA CA C 67 55.200 55.001 0.199 1
1 802 . 10 1 1 A 67 67 ALA CB C 67 17.400 17.340 0.060 1
1 803 . 10 1 1 A 67 67 ALA N N 67 123.900 123.613 0.287 1
1 804 . 10 1 1 A 68 68 SER H H 68 7.920 7.293 0.627 1
1 805 . 10 1 1 A 68 68 SER HA H 68 4.070 4.279 -0.209 1
1 808 . 10 1 1 A 68 68 SER CA C 68 61.200 61.413 -0.213 1
1 809 . 10 1 1 A 68 68 SER CB C 68 62.700 63.032 -0.332 1
1 810 . 10 1 1 A 68 68 SER N N 68 111.500 112.784 -1.284 1
1 811 . 10 1 1 A 69 69 ARG H H 69 7.840 7.931 -0.091 1
1 812 . 10 1 1 A 69 69 ARG HA H 69 4.010 4.044 -0.034 1
1 819 . 10 1 1 A 69 69 ARG CA C 69 58.700 58.817 -0.117 1
1 820 . 10 1 1 A 69 69 ARG CB C 69 30.000 29.730 0.270 1
1 823 . 10 1 1 A 69 69 ARG N N 69 121.200 121.522 -0.322 1
1 824 . 10 1 1 A 70 70 LEU H H 70 8.490 8.303 0.187 1
1 825 . 10 1 1 A 70 70 LEU HA H 70 3.740 3.971 -0.231 1
1 835 . 10 1 1 A 70 70 LEU CA C 70 57.500 57.500 0.000 1
1 836 . 10 1 1 A 70 70 LEU CB C 70 41.100 41.802 -0.702 1
1 840 . 10 1 1 A 70 70 LEU N N 70 121.100 121.731 -0.631 1
1 841 . 10 1 1 A 71 71 ARG H H 71 8.460 7.626 0.834 1
1 842 . 10 1 1 A 71 71 ARG HA H 71 3.540 4.091 -0.551 1
1 850 . 10 1 1 A 71 71 ARG CA C 71 60.700 59.334 1.366 1
1 851 . 10 1 1 A 71 71 ARG CB C 71 28.000 30.034 -2.034 1
1 854 . 10 1 1 A 71 71 ARG N N 71 119.800 119.527 0.273 1
1 856 . 10 1 1 A 72 72 GLY H H 72 7.530 8.204 -0.674 1
1 857 . 10 1 1 A 72 72 GLY HA2 H 72 3.980 3.758 0.222 1
1 858 . 10 1 1 A 72 72 GLY HA3 H 72 3.870 3.785 0.085 1
1 859 . 10 1 1 A 72 72 GLY CA C 72 47.100 47.285 -0.185 1
1 860 . 10 1 1 A 72 72 GLY N N 72 103.400 108.075 -4.675 1
1 861 . 10 1 1 A 73 73 ARG H H 73 7.800 7.486 0.314 1
1 862 . 10 1 1 A 73 73 ARG HA H 73 3.930 4.027 -0.097 1
1 869 . 10 1 1 A 73 73 ARG CA C 73 59.400 59.155 0.245 1
1 870 . 10 1 1 A 73 73 ARG CB C 73 29.500 30.069 -0.569 1
1 873 . 10 1 1 A 73 73 ARG N N 73 122.800 121.851 0.949 1
1 874 . 10 1 1 A 74 74 ILE H H 74 8.420 8.010 0.410 1
1 875 . 10 1 1 A 74 74 ILE HA H 74 3.440 3.853 -0.413 1
1 885 . 10 1 1 A 74 74 ILE CA C 74 66.500 65.594 0.906 1
1 886 . 10 1 1 A 74 74 ILE CB C 74 38.300 37.499 0.801 1
1 890 . 10 1 1 A 74 74 ILE N N 74 118.800 120.906 -2.106 1
1 891 . 10 1 1 A 75 75 GLU H H 75 8.620 8.774 -0.154 1
1 892 . 10 1 1 A 75 75 GLU HA H 75 3.840 4.033 -0.193 1
1 897 . 10 1 1 A 75 75 GLU CA C 75 59.900 59.793 0.107 1
1 898 . 10 1 1 A 75 75 GLU CB C 75 29.400 29.505 -0.105 1
1 900 . 10 1 1 A 75 75 GLU N N 75 119.200 122.130 -2.930 1
1 901 . 10 1 1 A 76 76 SER H H 76 8.380 8.122 0.258 1
1 902 . 10 1 1 A 76 76 SER HA H 76 4.460 4.275 0.185 1
1 905 . 10 1 1 A 76 76 SER CA C 76 62.900 62.729 0.171 1
1 906 . 10 1 1 A 76 76 SER CB C 76 63.000 63.253 -0.253 1
1 907 . 10 1 1 A 76 76 SER N N 76 116.000 116.925 -0.925 1
1 908 . 10 1 1 A 77 77 VAL H H 77 8.190 7.656 0.534 1
1 909 . 10 1 1 A 77 77 VAL HA H 77 3.290 2.898 0.392 1
1 917 . 10 1 1 A 77 77 VAL CA C 77 66.800 66.570 0.230 1
1 918 . 10 1 1 A 77 77 VAL CB C 77 31.400 31.469 -0.069 1
1 921 . 10 1 1 A 77 77 VAL N N 77 122.800 121.797 1.003 1
1 922 . 10 1 1 A 78 78 LEU H H 78 8.590 8.755 -0.165 1
1 923 . 10 1 1 A 78 78 LEU HA H 78 4.270 4.139 0.131 1
1 933 . 10 1 1 A 78 78 LEU CA C 78 57.800 58.096 -0.296 1
1 934 . 10 1 1 A 78 78 LEU CB C 78 40.900 40.921 -0.021 1
1 938 . 10 1 1 A 78 78 LEU N N 78 116.900 118.462 -1.562 1
1 939 . 10 1 1 A 79 79 ASP H H 79 8.790 8.508 0.282 1
1 940 . 10 1 1 A 79 79 ASP HA H 79 4.730 4.360 0.370 1
1 943 . 10 1 1 A 79 79 ASP CA C 79 57.900 57.399 0.501 1
1 944 . 10 1 1 A 79 79 ASP CB C 79 40.400 41.421 -1.021 1
1 945 . 10 1 1 A 79 79 ASP N N 79 123.800 119.161 4.639 1
1 946 . 10 1 1 A 80 80 TRP H H 80 8.210 8.352 -0.142 1
1 947 . 10 1 1 A 80 80 TRP HA H 80 4.380 4.337 0.043 1
1 956 . 10 1 1 A 80 80 TRP CA C 80 61.600 61.348 0.252 1
1 957 . 10 1 1 A 80 80 TRP CB C 80 29.100 29.408 -0.308 1
1 963 . 10 1 1 A 80 80 TRP N N 80 123.700 121.799 1.901 1
1 965 . 10 1 1 A 81 81 ALA H H 81 8.980 8.533 0.447 1
1 966 . 10 1 1 A 81 81 ALA HA H 81 3.850 3.540 0.310 1
1 970 . 10 1 1 A 81 81 ALA CA C 81 54.500 55.068 -0.568 1
1 971 . 10 1 1 A 81 81 ALA CB C 81 19.600 18.079 1.521 1
1 972 . 10 1 1 A 81 81 ALA N N 81 118.400 121.221 -2.821 1
1 973 . 10 1 1 A 82 82 THR H H 82 7.990 7.800 0.190 1
1 974 . 10 1 1 A 82 82 THR HA H 82 4.310 4.294 0.016 1
1 979 . 10 1 1 A 82 82 THR CA C 82 65.800 66.545 -0.745 1
1 980 . 10 1 1 A 82 82 THR CB C 82 68.800 67.877 0.923 1
1 982 . 10 1 1 A 82 82 THR N N 82 116.400 115.041 1.359 1
1 983 . 10 1 1 A 83 83 VAL H H 83 7.970 7.926 0.044 1
1 984 . 10 1 1 A 83 83 VAL HA H 83 3.720 3.433 0.287 1
1 992 . 10 1 1 A 83 83 VAL CA C 83 65.900 66.874 -0.974 1
1 993 . 10 1 1 A 83 83 VAL CB C 83 31.400 31.270 0.130 1
1 996 . 10 1 1 A 83 83 VAL N N 83 123.700 121.185 2.515 1
1 997 . 10 1 1 A 84 84 ARG H H 84 7.300 7.324 -0.024 1
1 998 . 10 1 1 A 84 84 ARG HA H 84 3.740 3.861 -0.121 1
1 1005 . 10 1 1 A 84 84 ARG CA C 84 55.300 55.438 -0.138 1
1 1006 . 10 1 1 A 84 84 ARG CB C 84 29.400 29.370 0.030 1
1 1009 . 10 1 1 A 84 84 ARG N N 84 115.400 118.170 -2.770 1
1 1010 . 10 1 1 A 85 85 GLY H H 85 7.510 7.416 0.094 1
1 1011 . 10 1 1 A 85 85 GLY HA2 H 85 4.010 3.852 0.158 1
1 1012 . 10 1 1 A 85 85 GLY HA3 H 85 3.830 3.868 -0.038 1
1 1013 . 10 1 1 A 85 85 GLY CA C 85 45.400 45.872 -0.472 1
1 1014 . 10 1 1 A 85 85 GLY N N 85 105.600 107.531 -1.931 1
1 1015 . 10 1 1 A 86 86 TYR H H 86 8.120 8.139 -0.019 1
1 1016 . 10 1 1 A 86 86 TYR HA H 86 4.740 4.367 0.373 1
1 1023 . 10 1 1 A 86 86 TYR CA C 86 55.800 59.666 -3.866 1
1 1024 . 10 1 1 A 86 86 TYR CB C 86 38.000 39.246 -1.246 1
1 1027 . 10 1 1 A 86 86 TYR N N 86 118.700 118.907 -0.207 1
1 1028 . 10 1 1 A 87 87 ARG H H 87 7.500 7.712 -0.212 1
1 1029 . 10 1 1 A 87 87 ARG HA H 87 4.710 4.848 -0.138 1
1 1037 . 10 1 1 A 87 87 ARG CA C 87 54.100 54.666 -0.566 1
1 1038 . 10 1 1 A 87 87 ARG CB C 87 31.900 33.165 -1.265 1
1 1041 . 10 1 1 A 87 87 ARG N N 87 111.200 115.160 -3.960 1
1 1043 . 10 1 1 A 88 88 GLU H H 88 9.190 8.771 0.419 1
1 1044 . 10 1 1 A 88 88 GLU HA H 88 4.760 4.853 -0.093 1
1 1049 . 10 1 1 A 88 88 GLU CA C 88 54.800 55.007 -0.207 1
1 1050 . 10 1 1 A 88 88 GLU CB C 88 32.500 32.646 -0.146 1
1 1052 . 10 1 1 A 88 88 GLU N N 88 118.800 120.528 -1.728 1
1 1053 . 10 1 1 A 89 89 GLY H H 89 8.580 8.395 0.185 1
1 1054 . 10 1 1 A 89 89 GLY HA2 H 89 3.850 4.078 -0.228 1
1 1055 . 10 1 1 A 89 89 GLY HA3 H 89 4.500 4.079 0.421 1
1 1056 . 10 1 1 A 89 89 GLY CA C 89 43.700 44.306 -0.606 1
1 1057 . 10 1 1 A 89 89 GLY N N 89 107.900 108.740 -0.840 1
1 1058 . 10 1 1 A 90 90 ASP H H 90 8.630 8.378 0.252 1
1 1059 . 10 1 1 A 90 90 ASP HA H 90 4.480 4.885 -0.405 1
1 1062 . 10 1 1 A 90 90 ASP CA C 90 54.600 53.260 1.340 1
1 1063 . 10 1 1 A 90 90 ASP CB C 90 40.500 42.374 -1.874 1
1 1064 . 10 1 1 A 90 90 ASP N N 90 120.700 121.040 -0.340 1
1 1065 . 10 1 1 A 91 91 ASN H H 91 8.930 8.531 0.399 1
1 1066 . 10 1 1 A 91 91 ASN HA H 91 4.580 4.994 -0.414 1
1 1071 . 10 1 1 A 91 91 ASN CA C 91 51.100 50.552 0.548 1
1 1072 . 10 1 1 A 91 91 ASN CB C 91 39.100 40.267 -1.167 1
1 1073 . 10 1 1 A 91 91 ASN N N 91 122.700 121.273 1.427 1
1 1075 . 10 1 1 A 92 92 PRO HA H 92 4.490 4.499 -0.009 1
1 1082 . 10 1 1 A 92 92 PRO CA C 92 63.500 63.791 -0.291 1
1 1083 . 10 1 1 A 92 92 PRO CB C 92 32.300 32.276 0.024 1
1 1086 . 10 1 1 A 93 93 ALA H H 93 8.610 8.365 0.245 1
1 1087 . 10 1 1 A 93 93 ALA HA H 93 4.450 4.196 0.254 1
1 1091 . 10 1 1 A 93 93 ALA CA C 93 52.000 52.452 -0.452 1
1 1092 . 10 1 1 A 93 93 ALA CB C 93 18.100 19.307 -1.207 1
1 1093 . 10 1 1 A 93 93 ALA N N 93 120.500 118.564 1.936 1
1 1094 . 10 1 1 A 94 94 ARG H H 94 7.280 7.398 -0.118 1
1 1095 . 10 1 1 A 94 94 ARG HA H 94 3.830 4.936 -1.106 1
1 1102 . 10 1 1 A 94 94 ARG CA C 94 55.500 55.078 0.422 1
1 1103 . 10 1 1 A 94 94 ARG CB C 94 30.500 32.624 -2.124 1
1 1106 . 10 1 1 A 94 94 ARG N N 94 118.100 116.357 1.743 1
1 1107 . 10 1 1 A 95 95 TRP H H 95 7.310 8.966 -1.656 1
1 1108 . 10 1 1 A 95 95 TRP HA H 95 4.610 5.230 -0.620 1
1 1117 . 10 1 1 A 95 95 TRP CA C 95 55.200 56.074 -0.874 1
1 1118 . 10 1 1 A 95 95 TRP CB C 95 29.500 32.188 -2.688 1
1 1124 . 10 1 1 A 95 95 TRP N N 95 121.200 121.301 -0.101 1
1 1126 . 10 1 1 A 96 96 ARG H H 96 8.380 8.827 -0.447 1
1 1127 . 10 1 1 A 96 96 ARG HA H 96 4.140 4.811 -0.671 1
1 1134 . 10 1 1 A 96 96 ARG CA C 96 57.200 54.864 2.336 1
1 1135 . 10 1 1 A 96 96 ARG CB C 96 29.900 31.519 -1.619 1
1 1138 . 10 1 1 A 96 96 ARG N N 96 122.100 125.351 -3.251 1
1 1139 . 10 1 1 A 97 97 GLY H H 97 7.920 8.594 -0.674 1
1 1140 . 10 1 1 A 97 97 GLY HA2 H 97 3.710 4.056 -0.346 1
1 1141 . 10 1 1 A 97 97 GLY HA3 H 97 3.630 4.078 -0.448 1
1 1142 . 10 1 1 A 97 97 GLY CA C 97 45.700 45.477 0.223 1
1 1143 . 10 1 1 A 97 97 GLY N N 97 110.500 113.607 -3.107 1
1 1144 . 10 1 1 A 98 98 TYR H H 98 7.770 8.665 -0.895 1
1 1145 . 10 1 1 A 98 98 TYR HA H 98 4.090 4.259 -0.169 1
1 1152 . 10 1 1 A 98 98 TYR CA C 98 59.900 58.859 1.041 1
1 1153 . 10 1 1 A 98 98 TYR CB C 98 37.100 38.107 -1.007 1
1 1156 . 10 1 1 A 98 98 TYR N N 98 120.400 120.875 -0.475 1
1 1157 . 10 1 1 A 99 99 LEU H H 99 7.820 7.516 0.304 1
1 1158 . 10 1 1 A 99 99 LEU HA H 99 3.890 3.894 -0.004 1
1 1168 . 10 1 1 A 99 99 LEU CA C 99 55.600 57.476 -1.876 1
1 1169 . 10 1 1 A 99 99 LEU CB C 99 41.600 41.697 -0.097 1
1 1173 . 10 1 1 A 99 99 LEU N N 99 120.700 123.345 -2.645 1
1 1174 . 10 1 1 A 100 100 GLU H H 100 7.680 7.888 -0.208 1
1 1175 . 10 1 1 A 100 100 GLU HA H 100 3.900 4.764 -0.864 1
1 1180 . 10 1 1 A 100 100 GLU CA C 100 56.500 56.224 0.276 1
1 1181 . 10 1 1 A 100 100 GLU CB C 100 29.500 32.081 -2.581 1
1 13 . 11 1 1 A 2 2 THR H H 2 9.230 8.621 0.609 1
1 14 . 11 1 1 A 2 2 THR HA H 2 5.080 5.077 0.003 1
1 19 . 11 1 1 A 2 2 THR CA C 2 61.000 60.310 0.690 1
1 20 . 11 1 1 A 2 2 THR CB C 2 70.800 71.707 -0.907 1
1 22 . 11 1 1 A 2 2 THR N N 2 119.100 116.884 2.216 1
1 23 . 11 1 1 A 3 3 PHE H H 3 9.290 9.503 -0.213 1
1 24 . 11 1 1 A 3 3 PHE HA H 3 3.880 4.133 -0.253 1
1 32 . 11 1 1 A 3 3 PHE CA C 3 63.900 62.338 1.562 1
1 33 . 11 1 1 A 3 3 PHE CB C 3 38.800 39.261 -0.461 1
1 37 . 11 1 1 A 3 3 PHE N N 3 122.600 123.785 -1.185 1
1 38 . 11 1 1 A 4 4 SER H H 4 9.930 8.377 1.553 1
1 39 . 11 1 1 A 4 4 SER HA H 4 4.000 3.997 0.003 1
1 42 . 11 1 1 A 4 4 SER CA C 4 62.800 61.687 1.113 1
1 43 . 11 1 1 A 4 4 SER CB C 4 62.600 62.893 -0.293 1
1 44 . 11 1 1 A 4 4 SER N N 4 116.300 114.096 2.204 1
1 45 . 11 1 1 A 5 5 GLU H H 5 7.980 7.378 0.602 1
1 46 . 11 1 1 A 5 5 GLU HA H 5 3.990 4.012 -0.022 1
1 51 . 11 1 1 A 5 5 GLU CA C 5 58.800 58.912 -0.112 1
1 52 . 11 1 1 A 5 5 GLU CB C 5 29.700 29.852 -0.152 1
1 54 . 11 1 1 A 5 5 GLU N N 5 122.800 121.141 1.659 1
1 55 . 11 1 1 A 6 6 CYS H H 6 8.430 7.977 0.453 1
1 56 . 11 1 1 A 6 6 CYS HA H 6 4.120 4.019 0.101 1
1 59 . 11 1 1 A 6 6 CYS CA C 6 63.300 61.925 1.375 1
1 60 . 11 1 1 A 6 6 CYS CB C 6 27.100 26.934 0.166 1
1 61 . 11 1 1 A 6 6 CYS N N 6 120.100 119.439 0.661 1
1 62 . 11 1 1 A 7 7 ALA H H 7 8.770 8.078 0.692 1
1 63 . 11 1 1 A 7 7 ALA HA H 7 3.790 3.810 -0.020 1
1 67 . 11 1 1 A 7 7 ALA CA C 7 55.200 54.910 0.290 1
1 68 . 11 1 1 A 7 7 ALA CB C 7 17.400 17.913 -0.513 1
1 69 . 11 1 1 A 7 7 ALA N N 7 120.400 122.275 -1.875 1
1 70 . 11 1 1 A 8 8 ALA H H 8 7.800 7.800 0.000 1
1 71 . 11 1 1 A 8 8 ALA HA H 8 4.130 4.124 0.006 1
1 75 . 11 1 1 A 8 8 ALA CA C 8 55.200 55.073 0.127 1
1 76 . 11 1 1 A 8 8 ALA CB C 8 17.700 18.165 -0.465 1
1 77 . 11 1 1 A 8 8 ALA N N 8 119.200 120.707 -1.507 1
1 78 . 11 1 1 A 9 9 LEU H H 9 8.120 8.123 -0.003 1
1 79 . 11 1 1 A 9 9 LEU HA H 9 4.080 3.937 0.143 1
1 89 . 11 1 1 A 9 9 LEU CA C 9 57.700 57.779 -0.079 1
1 90 . 11 1 1 A 9 9 LEU CB C 9 42.000 42.203 -0.203 1
1 94 . 11 1 1 A 9 9 LEU N N 9 120.300 119.073 1.227 1
1 95 . 11 1 1 A 10 10 TYR H H 10 8.700 8.083 0.617 1
1 96 . 11 1 1 A 10 10 TYR HA H 10 2.330 2.894 -0.564 1
1 103 . 11 1 1 A 10 10 TYR CA C 10 62.000 61.047 0.953 1
1 104 . 11 1 1 A 10 10 TYR CB C 10 38.100 38.068 0.032 1
1 107 . 11 1 1 A 10 10 TYR N N 10 122.900 118.414 4.486 1
1 108 . 11 1 1 A 11 11 ILE H H 11 8.600 8.006 0.594 1
1 109 . 11 1 1 A 11 11 ILE HA H 11 3.270 2.932 0.338 1
1 119 . 11 1 1 A 11 11 ILE CA C 11 65.600 64.714 0.886 1
1 120 . 11 1 1 A 11 11 ILE CB C 11 38.200 37.827 0.373 1
1 124 . 11 1 1 A 11 11 ILE N N 11 123.900 121.052 2.848 1
1 125 . 11 1 1 A 12 12 LYS H H 12 7.910 8.250 -0.340 1
1 126 . 11 1 1 A 12 12 LYS HA H 12 3.870 4.010 -0.140 1
1 135 . 11 1 1 A 12 12 LYS CA C 12 59.900 59.276 0.624 1
1 136 . 11 1 1 A 12 12 LYS CB C 12 32.600 32.031 0.569 1
1 140 . 11 1 1 A 12 12 LYS N N 12 120.600 119.585 1.015 1
1 141 . 11 1 1 A 13 13 ALA H H 13 7.790 8.115 -0.325 1
1 142 . 11 1 1 A 13 13 ALA HA H 13 4.100 3.987 0.113 1
1 146 . 11 1 1 A 13 13 ALA CA C 13 53.200 54.151 -0.951 1
1 147 . 11 1 1 A 13 13 ALA CB C 13 18.200 18.127 0.073 1
1 148 . 11 1 1 A 13 13 ALA N N 13 118.100 120.363 -2.263 1
1 149 . 11 1 1 A 14 14 HIS H H 14 7.160 7.307 -0.147 1
1 150 . 11 1 1 A 14 14 HIS HA H 14 3.990 4.495 -0.505 1
1 155 . 11 1 1 A 14 14 HIS CA C 14 56.500 54.877 1.623 1
1 156 . 11 1 1 A 14 14 HIS CB C 14 27.000 29.528 -2.528 1
1 159 . 11 1 1 A 14 14 HIS N N 14 113.200 115.510 -2.310 1
1 160 . 11 1 1 A 15 15 ARG H H 15 7.420 7.950 -0.530 1
1 161 . 11 1 1 A 15 15 ARG HA H 15 3.760 4.112 -0.352 1
1 168 . 11 1 1 A 15 15 ARG CA C 15 59.800 58.506 1.294 1
1 169 . 11 1 1 A 15 15 ARG CB C 15 29.800 29.416 0.384 1
1 172 . 11 1 1 A 15 15 ARG N N 15 121.100 119.964 1.136 1
1 173 . 11 1 1 A 16 16 SER H H 16 8.540 8.008 0.532 1
1 174 . 11 1 1 A 16 16 SER HA H 16 4.230 4.213 0.017 1
1 177 . 11 1 1 A 16 16 SER CA C 16 60.800 62.114 -1.314 1
1 178 . 11 1 1 A 16 16 SER CB C 16 62.200 63.161 -0.961 1
1 179 . 11 1 1 A 16 16 SER N N 16 114.100 118.222 -4.122 1
1 180 . 11 1 1 A 17 17 SER H H 17 7.680 7.752 -0.072 1
1 181 . 11 1 1 A 17 17 SER HA H 17 4.370 4.385 -0.015 1
1 184 . 11 1 1 A 17 17 SER CA C 17 59.800 60.895 -1.095 1
1 185 . 11 1 1 A 17 17 SER CB C 17 63.100 63.506 -0.406 1
1 186 . 11 1 1 A 17 17 SER N N 17 116.700 116.520 0.180 1
1 187 . 11 1 1 A 18 18 TRP H H 18 7.640 7.852 -0.212 1
1 188 . 11 1 1 A 18 18 TRP HA H 18 4.990 4.766 0.224 1
1 197 . 11 1 1 A 18 18 TRP CA C 18 55.200 55.348 -0.148 1
1 198 . 11 1 1 A 18 18 TRP CB C 18 29.500 27.564 1.936 1
1 204 . 11 1 1 A 18 18 TRP N N 18 121.200 120.714 0.486 1
1 206 . 11 1 1 A 19 19 LYS H H 19 7.920 7.892 0.028 1
1 207 . 11 1 1 A 19 19 LYS HA H 19 4.180 4.007 0.173 1
1 216 . 11 1 1 A 19 19 LYS CA C 19 58.100 57.758 0.342 1
1 217 . 11 1 1 A 19 19 LYS CB C 19 32.200 32.638 -0.438 1
1 221 . 11 1 1 A 19 19 LYS N N 19 121.100 122.597 -1.497 1
1 222 . 11 1 1 A 20 20 ASN H H 20 8.630 8.969 -0.339 1
1 223 . 11 1 1 A 20 20 ASN HA H 20 4.760 4.473 0.287 1
1 228 . 11 1 1 A 20 20 ASN CA C 20 53.600 54.617 -1.017 1
1 229 . 11 1 1 A 20 20 ASN CB C 20 38.200 38.240 -0.040 1
1 230 . 11 1 1 A 20 20 ASN N N 20 116.500 121.290 -4.790 1
1 232 . 11 1 1 A 21 21 THR H H 21 8.320 7.660 0.660 1
1 233 . 11 1 1 A 21 21 THR HA H 21 4.470 4.733 -0.263 1
1 238 . 11 1 1 A 21 21 THR CA C 21 62.500 59.996 2.504 1
1 239 . 11 1 1 A 21 21 THR CB C 21 70.700 70.993 -0.293 1
1 241 . 11 1 1 A 21 21 THR N N 21 113.700 110.456 3.244 1
1 242 . 11 1 1 A 22 22 LYS H H 22 8.440 8.722 -0.282 1
1 243 . 11 1 1 A 22 22 LYS HA H 22 4.500 4.276 0.224 1
1 252 . 11 1 1 A 22 22 LYS CA C 22 56.700 58.133 -1.433 1
1 253 . 11 1 1 A 22 22 LYS CB C 22 31.700 31.953 -0.253 1
1 257 . 11 1 1 A 22 22 LYS N N 22 120.900 120.075 0.825 1
1 258 . 11 1 1 A 23 23 HIS H H 23 8.110 7.505 0.605 1
1 259 . 11 1 1 A 23 23 HIS HA H 23 4.450 4.331 0.119 1
1 264 . 11 1 1 A 23 23 HIS CA C 23 57.300 59.578 -2.278 1
1 265 . 11 1 1 A 23 23 HIS CB C 23 27.900 29.237 -1.337 1
1 268 . 11 1 1 A 23 23 HIS N N 23 116.800 118.361 -1.561 1
1 269 . 11 1 1 A 24 24 ALA H H 24 8.490 8.298 0.192 1
1 270 . 11 1 1 A 24 24 ALA HA H 24 4.000 3.812 0.188 1
1 274 . 11 1 1 A 24 24 ALA CA C 24 55.700 55.084 0.616 1
1 275 . 11 1 1 A 24 24 ALA CB C 24 18.000 17.889 0.111 1
1 276 . 11 1 1 A 24 24 ALA N N 24 121.700 122.191 -0.491 1
1 277 . 11 1 1 A 25 25 ASP H H 25 8.370 8.237 0.133 1
1 278 . 11 1 1 A 25 25 ASP HA H 25 4.450 4.389 0.061 1
1 281 . 11 1 1 A 25 25 ASP CA C 25 56.800 57.498 -0.698 1
1 282 . 11 1 1 A 25 25 ASP CB C 25 40.200 41.132 -0.932 1
1 283 . 11 1 1 A 25 25 ASP N N 25 119.100 118.498 0.602 1
1 284 . 11 1 1 A 26 26 GLN H H 26 8.020 8.598 -0.578 1
1 285 . 11 1 1 A 26 26 GLN HA H 26 4.250 4.045 0.205 1
1 292 . 11 1 1 A 26 26 GLN CA C 26 58.600 59.342 -0.742 1
1 293 . 11 1 1 A 26 26 GLN CB C 26 28.500 28.044 0.456 1
1 295 . 11 1 1 A 26 26 GLN N N 26 119.500 117.323 2.177 1
1 297 . 11 1 1 A 27 27 TRP H H 27 8.610 8.122 0.488 1
1 298 . 11 1 1 A 27 27 TRP HA H 27 3.840 4.573 -0.733 1
1 307 . 11 1 1 A 27 27 TRP CA C 27 62.400 59.938 2.462 1
1 308 . 11 1 1 A 27 27 TRP CB C 27 28.300 29.127 -0.827 1
1 314 . 11 1 1 A 27 27 TRP N N 27 122.000 121.599 0.401 1
1 316 . 11 1 1 A 28 28 THR H H 28 8.460 8.627 -0.167 1
1 317 . 11 1 1 A 28 28 THR HA H 28 3.790 4.084 -0.294 1
1 322 . 11 1 1 A 28 28 THR CA C 28 67.000 67.133 -0.133 1
1 323 . 11 1 1 A 28 28 THR CB C 28 68.900 68.673 0.227 1
1 325 . 11 1 1 A 28 28 THR N N 28 114.800 115.043 -0.243 1
1 326 . 11 1 1 A 29 29 ASN H H 29 8.650 9.082 -0.432 1
1 327 . 11 1 1 A 29 29 ASN HA H 29 4.530 4.389 0.141 1
1 332 . 11 1 1 A 29 29 ASN CA C 29 56.600 56.472 0.128 1
1 333 . 11 1 1 A 29 29 ASN CB C 29 38.400 39.093 -0.693 1
1 334 . 11 1 1 A 29 29 ASN N N 29 118.500 119.619 -1.119 1
1 336 . 11 1 1 A 30 30 THR H H 30 8.170 7.677 0.493 1
1 337 . 11 1 1 A 30 30 THR HA H 30 4.160 4.082 0.078 1
1 342 . 11 1 1 A 30 30 THR CA C 30 66.100 67.396 -1.296 1
1 343 . 11 1 1 A 30 30 THR CB C 30 69.300 68.583 0.717 1
1 345 . 11 1 1 A 30 30 THR N N 30 113.100 115.736 -2.636 1
1 346 . 11 1 1 A 31 31 ILE H H 31 8.030 7.596 0.434 1
1 347 . 11 1 1 A 31 31 ILE HA H 31 3.850 3.674 0.176 1
1 357 . 11 1 1 A 31 31 ILE CA C 31 65.200 65.721 -0.521 1
1 358 . 11 1 1 A 31 31 ILE CB C 31 36.300 37.530 -1.230 1
1 362 . 11 1 1 A 31 31 ILE N N 31 122.000 121.568 0.432 1
1 363 . 11 1 1 A 32 32 LYS H H 32 8.320 8.453 -0.133 1
1 364 . 11 1 1 A 32 32 LYS HA H 32 4.090 4.077 0.013 1
1 373 . 11 1 1 A 32 32 LYS CA C 32 60.500 59.508 0.992 1
1 374 . 11 1 1 A 32 32 LYS CB C 32 32.500 32.111 0.389 1
1 378 . 11 1 1 A 32 32 LYS N N 32 121.300 121.373 -0.073 1
1 379 . 11 1 1 A 33 33 THR H H 33 8.160 7.731 0.429 1
1 380 . 11 1 1 A 33 33 THR HA H 33 3.690 3.956 -0.266 1
1 385 . 11 1 1 A 33 33 THR CA C 33 66.500 66.243 0.257 1
1 386 . 11 1 1 A 33 33 THR CB C 33 69.200 69.035 0.165 1
1 388 . 11 1 1 A 33 33 THR N N 33 113.400 116.146 -2.746 1
1 389 . 11 1 1 A 34 34 TYR H H 34 7.640 8.247 -0.607 1
1 390 . 11 1 1 A 34 34 TYR HA H 34 4.670 4.347 0.323 1
1 397 . 11 1 1 A 34 34 TYR CA C 34 59.800 60.596 -0.796 1
1 398 . 11 1 1 A 34 34 TYR CB C 34 39.800 38.920 0.880 1
1 401 . 11 1 1 A 34 34 TYR N N 34 113.700 118.892 -5.192 1
1 402 . 11 1 1 A 35 35 CYS H H 35 8.170 8.432 -0.262 1
1 403 . 11 1 1 A 35 35 CYS HA H 35 4.470 4.348 0.122 1
1 406 . 11 1 1 A 35 35 CYS CA C 35 60.700 62.360 -1.660 1
1 407 . 11 1 1 A 35 35 CYS CB C 35 27.700 27.671 0.029 1
1 408 . 11 1 1 A 35 35 CYS N N 35 113.100 118.424 -5.324 1
1 409 . 11 1 1 A 36 36 GLY H H 36 8.110 8.388 -0.278 1
1 410 . 11 1 1 A 36 36 GLY HA2 H 36 3.880 3.836 0.044 1
1 411 . 11 1 1 A 36 36 GLY HA3 H 36 4.480 3.882 0.598 1
1 412 . 11 1 1 A 36 36 GLY CA C 36 49.400 48.312 1.088 1
1 413 . 11 1 1 A 36 36 GLY N N 36 110.800 109.955 0.845 1
1 414 . 11 1 1 A 37 37 PRO HA H 37 4.470 4.306 0.164 1
1 421 . 11 1 1 A 37 37 PRO CA C 37 64.400 65.257 -0.857 1
1 422 . 11 1 1 A 37 37 PRO CB C 37 32.700 31.388 1.312 1
1 425 . 11 1 1 A 38 38 VAL H H 38 7.270 7.251 0.019 1
1 426 . 11 1 1 A 38 38 VAL HA H 38 4.190 3.892 0.298 1
1 434 . 11 1 1 A 38 38 VAL CA C 38 63.600 64.008 -0.408 1
1 435 . 11 1 1 A 38 38 VAL CB C 38 34.800 32.085 2.715 1
1 438 . 11 1 1 A 38 38 VAL N N 38 113.900 115.745 -1.845 1
1 439 . 11 1 1 A 39 39 ILE H H 39 7.590 7.977 -0.387 1
1 440 . 11 1 1 A 39 39 ILE HA H 39 4.590 4.259 0.331 1
1 450 . 11 1 1 A 39 39 ILE CA C 39 60.500 61.129 -0.629 1
1 451 . 11 1 1 A 39 39 ILE CB C 39 39.500 37.913 1.587 1
1 455 . 11 1 1 A 39 39 ILE N N 39 107.400 115.413 -8.013 1
1 456 . 11 1 1 A 40 40 GLY H H 40 7.670 8.000 -0.330 1
1 457 . 11 1 1 A 40 40 GLY HA2 H 40 4.040 3.863 0.177 1
1 458 . 11 1 1 A 40 40 GLY HA3 H 40 4.430 3.995 0.435 1
1 459 . 11 1 1 A 40 40 GLY CA C 40 49.400 48.261 1.139 1
1 460 . 11 1 1 A 40 40 GLY N N 40 109.200 112.516 -3.316 1
1 461 . 11 1 1 A 41 41 PRO HA H 41 4.770 4.491 0.279 1
1 468 . 11 1 1 A 41 41 PRO CA C 41 63.200 63.982 -0.782 1
1 469 . 11 1 1 A 41 41 PRO CB C 41 31.800 32.029 -0.229 1
1 472 . 11 1 1 A 42 42 LEU H H 42 7.540 7.572 -0.032 1
1 473 . 11 1 1 A 42 42 LEU HA H 42 4.320 4.453 -0.133 1
1 483 . 11 1 1 A 42 42 LEU CA C 42 54.000 54.424 -0.424 1
1 484 . 11 1 1 A 42 42 LEU CB C 42 42.000 42.369 -0.369 1
1 488 . 11 1 1 A 42 42 LEU N N 42 119.600 120.117 -0.517 1
1 489 . 11 1 1 A 43 43 SER H H 43 8.880 8.620 0.260 1
1 490 . 11 1 1 A 43 43 SER HA H 43 4.510 4.914 -0.404 1
1 493 . 11 1 1 A 43 43 SER CA C 43 58.600 58.720 -0.120 1
1 494 . 11 1 1 A 43 43 SER CB C 43 63.000 63.512 -0.512 1
1 495 . 11 1 1 A 43 43 SER N N 43 116.100 116.994 -0.894 1
1 496 . 11 1 1 A 44 44 VAL H H 44 9.020 8.418 0.602 1
1 497 . 11 1 1 A 44 44 VAL HA H 44 3.920 4.120 -0.200 1
1 505 . 11 1 1 A 44 44 VAL CA C 44 65.900 64.908 0.992 1
1 506 . 11 1 1 A 44 44 VAL CB C 44 32.100 32.031 0.069 1
1 509 . 11 1 1 A 44 44 VAL N N 44 124.400 126.819 -2.419 1
1 510 . 11 1 1 A 45 45 GLN H H 45 8.700 7.812 0.888 1
1 511 . 11 1 1 A 45 45 GLN HA H 45 4.170 4.121 0.049 1
1 518 . 11 1 1 A 45 45 GLN CA C 45 57.400 58.703 -1.303 1
1 519 . 11 1 1 A 45 45 GLN CB C 45 29.000 28.398 0.602 1
1 521 . 11 1 1 A 45 45 GLN N N 45 120.500 120.669 -0.169 1
1 523 . 11 1 1 A 46 46 ASP H H 46 7.870 7.707 0.163 1
1 524 . 11 1 1 A 46 46 ASP HA H 46 4.720 4.665 0.055 1
1 527 . 11 1 1 A 46 46 ASP CA C 46 54.400 54.736 -0.336 1
1 528 . 11 1 1 A 46 46 ASP CB C 46 40.800 41.570 -0.770 1
1 529 . 11 1 1 A 46 46 ASP N N 46 117.200 117.775 -0.575 1
1 530 . 11 1 1 A 47 47 VAL H H 47 6.970 7.384 -0.414 1
1 531 . 11 1 1 A 47 47 VAL HA H 47 3.490 3.840 -0.350 1
1 539 . 11 1 1 A 47 47 VAL CA C 47 65.200 62.788 2.412 1
1 540 . 11 1 1 A 47 47 VAL CB C 47 31.100 31.463 -0.363 1
1 543 . 11 1 1 A 47 47 VAL N N 47 118.500 121.326 -2.826 1
1 544 . 11 1 1 A 48 48 ASP H H 48 7.220 8.389 -1.169 1
1 545 . 11 1 1 A 48 48 ASP HA H 48 4.910 5.027 -0.117 1
1 548 . 11 1 1 A 48 48 ASP CA C 48 51.600 52.343 -0.743 1
1 549 . 11 1 1 A 48 48 ASP CB C 48 42.700 44.044 -1.344 1
1 550 . 11 1 1 A 48 48 ASP N N 48 128.000 128.320 -0.320 1
1 551 . 11 1 1 A 49 49 THR H H 49 8.490 8.908 -0.418 1
1 552 . 11 1 1 A 49 49 THR HA H 49 3.770 3.736 0.034 1
1 557 . 11 1 1 A 49 49 THR CA C 49 67.300 66.011 1.289 1
1 558 . 11 1 1 A 49 49 THR CB C 49 68.900 68.671 0.229 1
1 560 . 11 1 1 A 49 49 THR N N 49 115.800 118.757 -2.957 1
1 561 . 11 1 1 A 50 50 LYS H H 50 7.860 8.237 -0.377 1
1 562 . 11 1 1 A 50 50 LYS HA H 50 3.860 4.057 -0.197 1
1 571 . 11 1 1 A 50 50 LYS CA C 50 60.000 59.662 0.338 1
1 572 . 11 1 1 A 50 50 LYS CB C 50 31.600 31.130 0.470 1
1 576 . 11 1 1 A 50 50 LYS N N 50 120.500 121.109 -0.609 1
1 577 . 11 1 1 A 51 51 LEU H H 51 8.190 8.073 0.117 1
1 578 . 11 1 1 A 51 51 LEU HA H 51 4.050 4.033 0.017 1
1 588 . 11 1 1 A 51 51 LEU CA C 51 57.600 58.093 -0.493 1
1 589 . 11 1 1 A 51 51 LEU CB C 51 42.400 41.706 0.694 1
1 593 . 11 1 1 A 51 51 LEU N N 51 120.600 119.021 1.579 1
1 594 . 11 1 1 A 52 52 ILE H H 52 7.850 8.062 -0.212 1
1 595 . 11 1 1 A 52 52 ILE HA H 52 3.440 3.544 -0.104 1
1 605 . 11 1 1 A 52 52 ILE CA C 52 65.200 64.799 0.401 1
1 606 . 11 1 1 A 52 52 ILE CB C 52 36.700 37.497 -0.797 1
1 610 . 11 1 1 A 52 52 ILE N N 52 118.600 119.730 -1.130 1
1 611 . 11 1 1 A 53 53 MET H H 53 8.540 8.306 0.234 1
1 612 . 11 1 1 A 53 53 MET HA H 53 4.040 4.135 -0.095 1
1 620 . 11 1 1 A 53 53 MET CA C 53 59.000 59.019 -0.019 1
1 621 . 11 1 1 A 53 53 MET CB C 53 31.300 32.798 -1.498 1
1 624 . 11 1 1 A 53 53 MET N N 53 118.600 118.429 0.171 1
1 625 . 11 1 1 A 54 54 LYS H H 54 7.620 7.689 -0.069 1
1 626 . 11 1 1 A 54 54 LYS HA H 54 4.140 4.109 0.031 1
1 635 . 11 1 1 A 54 54 LYS CA C 54 59.200 58.904 0.296 1
1 636 . 11 1 1 A 54 54 LYS CB C 54 32.300 32.619 -0.319 1
1 640 . 11 1 1 A 54 54 LYS N N 54 119.100 119.792 -0.692 1
1 641 . 11 1 1 A 55 55 VAL H H 55 7.560 7.736 -0.176 1
1 642 . 11 1 1 A 55 55 VAL HA H 55 3.670 3.627 0.043 1
1 650 . 11 1 1 A 55 55 VAL CA C 55 65.600 66.090 -0.490 1
1 651 . 11 1 1 A 55 55 VAL CB C 55 31.900 31.794 0.106 1
1 654 . 11 1 1 A 55 55 VAL N N 55 117.200 120.041 -2.841 1
1 655 . 11 1 1 A 56 56 LEU H H 56 7.790 8.291 -0.501 1
1 656 . 11 1 1 A 56 56 LEU HA H 56 3.900 3.867 0.033 1
1 666 . 11 1 1 A 56 56 LEU CA C 56 56.400 57.384 -0.984 1
1 667 . 11 1 1 A 56 56 LEU CB C 56 42.700 41.526 1.174 1
1 671 . 11 1 1 A 56 56 LEU N N 56 114.400 118.152 -3.752 1
1 672 . 11 1 1 A 57 57 ASP H H 57 8.850 8.055 0.795 1
1 673 . 11 1 1 A 57 57 ASP HA H 57 4.140 4.648 -0.508 1
1 676 . 11 1 1 A 57 57 ASP CA C 57 59.100 59.365 -0.265 1
1 677 . 11 1 1 A 57 57 ASP CB C 57 38.200 38.086 0.114 1
1 678 . 11 1 1 A 57 57 ASP N N 57 120.500 121.311 -0.811 1
1 679 . 11 1 1 A 58 58 PRO HA H 58 4.520 4.451 0.069 1
1 686 . 11 1 1 A 58 58 PRO CA C 58 65.300 65.058 0.242 1
1 687 . 11 1 1 A 58 58 PRO CB C 58 31.700 31.340 0.360 1
1 690 . 11 1 1 A 59 59 ILE H H 59 7.400 7.348 0.052 1
1 691 . 11 1 1 A 59 59 ILE HA H 59 4.060 3.790 0.270 1
1 701 . 11 1 1 A 59 59 ILE CA C 59 62.300 63.827 -1.527 1
1 702 . 11 1 1 A 59 59 ILE CB C 59 39.300 36.763 2.537 1
1 706 . 11 1 1 A 59 59 ILE N N 59 113.300 116.293 -2.993 1
1 707 . 11 1 1 A 60 60 TRP H H 60 8.000 7.883 0.117 1
1 708 . 11 1 1 A 60 60 TRP HA H 60 3.830 4.422 -0.592 1
1 717 . 11 1 1 A 60 60 TRP CA C 60 61.300 59.817 1.483 1
1 718 . 11 1 1 A 60 60 TRP CB C 60 29.700 29.438 0.262 1
1 724 . 11 1 1 A 60 60 TRP N N 60 120.900 120.979 -0.079 1
1 726 . 11 1 1 A 61 61 GLU H H 61 7.840 8.521 -0.681 1
1 727 . 11 1 1 A 61 61 GLU HA H 61 4.110 4.187 -0.077 1
1 732 . 11 1 1 A 61 61 GLU CA C 61 58.100 59.572 -1.472 1
1 733 . 11 1 1 A 61 61 GLU CB C 61 29.500 29.589 -0.089 1
1 735 . 11 1 1 A 61 61 GLU N N 61 112.300 119.703 -7.403 1
1 736 . 11 1 1 A 62 62 GLN H H 62 7.710 7.871 -0.161 1
1 737 . 11 1 1 A 62 62 GLN HA H 62 4.400 4.464 -0.064 1
1 744 . 11 1 1 A 62 62 GLN CA C 62 57.200 56.927 0.273 1
1 745 . 11 1 1 A 62 62 GLN CB C 62 30.800 30.445 0.355 1
1 747 . 11 1 1 A 62 62 GLN N N 62 115.200 116.453 -1.253 1
1 749 . 11 1 1 A 63 63 LYS H H 63 8.500 8.324 0.176 1
1 750 . 11 1 1 A 63 63 LYS HA H 63 4.860 4.733 0.127 1
1 759 . 11 1 1 A 63 63 LYS CA C 63 53.300 53.734 -0.434 1
1 760 . 11 1 1 A 63 63 LYS CB C 63 33.800 32.962 0.838 1
1 764 . 11 1 1 A 63 63 LYS N N 63 117.800 118.594 -0.794 1
1 765 . 11 1 1 A 64 64 PRO HA H 64 4.110 4.356 -0.246 1
1 772 . 11 1 1 A 64 64 PRO CA C 64 66.000 65.377 0.623 1
1 773 . 11 1 1 A 64 64 PRO CB C 64 31.500 32.097 -0.597 1
1 776 . 11 1 1 A 65 65 GLU H H 65 8.680 8.092 0.588 1
1 777 . 11 1 1 A 65 65 GLU HA H 65 4.120 4.107 0.013 1
1 782 . 11 1 1 A 65 65 GLU CA C 65 59.300 59.708 -0.408 1
1 783 . 11 1 1 A 65 65 GLU CB C 65 28.500 29.414 -0.914 1
1 785 . 11 1 1 A 65 65 GLU N N 65 117.800 118.389 -0.589 1
1 786 . 11 1 1 A 66 66 THR H H 66 7.370 7.920 -0.550 1
1 787 . 11 1 1 A 66 66 THR HA H 66 3.820 3.781 0.039 1
1 792 . 11 1 1 A 66 66 THR CA C 66 66.200 66.296 -0.096 1
1 793 . 11 1 1 A 66 66 THR CB C 66 68.200 68.542 -0.342 1
1 795 . 11 1 1 A 66 66 THR N N 66 117.800 117.045 0.755 1
1 796 . 11 1 1 A 67 67 ALA H H 67 7.890 8.229 -0.339 1
1 797 . 11 1 1 A 67 67 ALA HA H 67 3.380 3.634 -0.254 1
1 801 . 11 1 1 A 67 67 ALA CA C 67 55.200 54.869 0.331 1
1 802 . 11 1 1 A 67 67 ALA CB C 67 17.400 17.249 0.151 1
1 803 . 11 1 1 A 67 67 ALA N N 67 123.900 124.219 -0.319 1
1 804 . 11 1 1 A 68 68 SER H H 68 7.920 7.785 0.135 1
1 805 . 11 1 1 A 68 68 SER HA H 68 4.070 4.232 -0.162 1
1 808 . 11 1 1 A 68 68 SER CA C 68 61.200 61.474 -0.274 1
1 809 . 11 1 1 A 68 68 SER CB C 68 62.700 62.514 0.186 1
1 810 . 11 1 1 A 68 68 SER N N 68 111.500 112.840 -1.340 1
1 811 . 11 1 1 A 69 69 ARG H H 69 7.840 7.297 0.543 1
1 812 . 11 1 1 A 69 69 ARG HA H 69 4.010 3.979 0.031 1
1 819 . 11 1 1 A 69 69 ARG CA C 69 58.700 58.684 0.016 1
1 820 . 11 1 1 A 69 69 ARG CB C 69 30.000 29.425 0.575 1
1 823 . 11 1 1 A 69 69 ARG N N 69 121.200 122.457 -1.257 1
1 824 . 11 1 1 A 70 70 LEU H H 70 8.490 8.163 0.327 1
1 825 . 11 1 1 A 70 70 LEU HA H 70 3.740 3.979 -0.239 1
1 835 . 11 1 1 A 70 70 LEU CA C 70 57.500 57.651 -0.151 1
1 836 . 11 1 1 A 70 70 LEU CB C 70 41.100 41.160 -0.060 1
1 840 . 11 1 1 A 70 70 LEU N N 70 121.100 121.924 -0.824 1
1 841 . 11 1 1 A 71 71 ARG H H 71 8.460 7.910 0.550 1
1 842 . 11 1 1 A 71 71 ARG HA H 71 3.540 4.082 -0.542 1
1 850 . 11 1 1 A 71 71 ARG CA C 71 60.700 59.261 1.439 1
1 851 . 11 1 1 A 71 71 ARG CB C 71 28.000 30.057 -2.057 1
1 854 . 11 1 1 A 71 71 ARG N N 71 119.800 119.411 0.389 1
1 856 . 11 1 1 A 72 72 GLY H H 72 7.530 8.219 -0.689 1
1 857 . 11 1 1 A 72 72 GLY HA2 H 72 3.980 3.760 0.220 1
1 858 . 11 1 1 A 72 72 GLY HA3 H 72 3.870 3.787 0.083 1
1 859 . 11 1 1 A 72 72 GLY CA C 72 47.100 47.290 -0.190 1
1 860 . 11 1 1 A 72 72 GLY N N 72 103.400 108.313 -4.913 1
1 861 . 11 1 1 A 73 73 ARG H H 73 7.800 7.416 0.384 1
1 862 . 11 1 1 A 73 73 ARG HA H 73 3.930 3.958 -0.028 1
1 869 . 11 1 1 A 73 73 ARG CA C 73 59.400 59.084 0.316 1
1 870 . 11 1 1 A 73 73 ARG CB C 73 29.500 29.968 -0.468 1
1 873 . 11 1 1 A 73 73 ARG N N 73 122.800 121.842 0.958 1
1 874 . 11 1 1 A 74 74 ILE H H 74 8.420 8.372 0.048 1
1 875 . 11 1 1 A 74 74 ILE HA H 74 3.440 3.778 -0.338 1
1 885 . 11 1 1 A 74 74 ILE CA C 74 66.500 65.640 0.860 1
1 886 . 11 1 1 A 74 74 ILE CB C 74 38.300 37.814 0.486 1
1 890 . 11 1 1 A 74 74 ILE N N 74 118.800 120.780 -1.980 1
1 891 . 11 1 1 A 75 75 GLU H H 75 8.620 8.711 -0.091 1
1 892 . 11 1 1 A 75 75 GLU HA H 75 3.840 3.968 -0.128 1
1 897 . 11 1 1 A 75 75 GLU CA C 75 59.900 59.800 0.100 1
1 898 . 11 1 1 A 75 75 GLU CB C 75 29.400 29.590 -0.190 1
1 900 . 11 1 1 A 75 75 GLU N N 75 119.200 121.376 -2.176 1
1 901 . 11 1 1 A 76 76 SER H H 76 8.380 7.918 0.462 1
1 902 . 11 1 1 A 76 76 SER HA H 76 4.460 4.207 0.253 1
1 905 . 11 1 1 A 76 76 SER CA C 76 62.900 62.563 0.337 1
1 906 . 11 1 1 A 76 76 SER CB C 76 63.000 63.102 -0.102 1
1 907 . 11 1 1 A 76 76 SER N N 76 116.000 117.150 -1.150 1
1 908 . 11 1 1 A 77 77 VAL H H 77 8.190 7.838 0.352 1
1 909 . 11 1 1 A 77 77 VAL HA H 77 3.290 3.303 -0.013 1
1 917 . 11 1 1 A 77 77 VAL CA C 77 66.800 66.859 -0.059 1
1 918 . 11 1 1 A 77 77 VAL CB C 77 31.400 31.589 -0.189 1
1 921 . 11 1 1 A 77 77 VAL N N 77 122.800 122.157 0.643 1
1 922 . 11 1 1 A 78 78 LEU H H 78 8.590 8.551 0.039 1
1 923 . 11 1 1 A 78 78 LEU HA H 78 4.270 3.995 0.275 1
1 933 . 11 1 1 A 78 78 LEU CA C 78 57.800 57.927 -0.127 1
1 934 . 11 1 1 A 78 78 LEU CB C 78 40.900 41.212 -0.312 1
1 938 . 11 1 1 A 78 78 LEU N N 78 116.900 118.968 -2.068 1
1 939 . 11 1 1 A 79 79 ASP H H 79 8.790 8.612 0.178 1
1 940 . 11 1 1 A 79 79 ASP HA H 79 4.730 4.373 0.357 1
1 943 . 11 1 1 A 79 79 ASP CA C 79 57.900 57.299 0.601 1
1 944 . 11 1 1 A 79 79 ASP CB C 79 40.400 41.068 -0.668 1
1 945 . 11 1 1 A 79 79 ASP N N 79 123.800 118.764 5.036 1
1 946 . 11 1 1 A 80 80 TRP H H 80 8.210 8.332 -0.122 1
1 947 . 11 1 1 A 80 80 TRP HA H 80 4.380 4.346 0.034 1
1 956 . 11 1 1 A 80 80 TRP CA C 80 61.600 61.444 0.156 1
1 957 . 11 1 1 A 80 80 TRP CB C 80 29.100 29.481 -0.381 1
1 963 . 11 1 1 A 80 80 TRP N N 80 123.700 122.195 1.505 1
1 965 . 11 1 1 A 81 81 ALA H H 81 8.980 8.647 0.333 1
1 966 . 11 1 1 A 81 81 ALA HA H 81 3.850 4.147 -0.297 1
1 970 . 11 1 1 A 81 81 ALA CA C 81 54.500 55.257 -0.757 1
1 971 . 11 1 1 A 81 81 ALA CB C 81 19.600 18.175 1.425 1
1 972 . 11 1 1 A 81 81 ALA N N 81 118.400 121.385 -2.985 1
1 973 . 11 1 1 A 82 82 THR H H 82 7.990 7.876 0.114 1
1 974 . 11 1 1 A 82 82 THR HA H 82 4.310 4.014 0.296 1
1 979 . 11 1 1 A 82 82 THR CA C 82 65.800 66.965 -1.165 1
1 980 . 11 1 1 A 82 82 THR CB C 82 68.800 68.030 0.770 1
1 982 . 11 1 1 A 82 82 THR N N 82 116.400 114.772 1.628 1
1 983 . 11 1 1 A 83 83 VAL H H 83 7.970 7.843 0.127 1
1 984 . 11 1 1 A 83 83 VAL HA H 83 3.720 3.468 0.252 1
1 992 . 11 1 1 A 83 83 VAL CA C 83 65.900 66.739 -0.839 1
1 993 . 11 1 1 A 83 83 VAL CB C 83 31.400 31.497 -0.097 1
1 996 . 11 1 1 A 83 83 VAL N N 83 123.700 121.513 2.187 1
1 997 . 11 1 1 A 84 84 ARG H H 84 7.300 7.520 -0.220 1
1 998 . 11 1 1 A 84 84 ARG HA H 84 3.740 3.827 -0.087 1
1 1005 . 11 1 1 A 84 84 ARG CA C 84 55.300 55.769 -0.469 1
1 1006 . 11 1 1 A 84 84 ARG CB C 84 29.400 29.745 -0.345 1
1 1009 . 11 1 1 A 84 84 ARG N N 84 115.400 118.032 -2.632 1
1 1010 . 11 1 1 A 85 85 GLY H H 85 7.510 7.403 0.107 1
1 1011 . 11 1 1 A 85 85 GLY HA2 H 85 4.010 3.775 0.235 1
1 1012 . 11 1 1 A 85 85 GLY HA3 H 85 3.830 3.853 -0.023 1
1 1013 . 11 1 1 A 85 85 GLY CA C 85 45.400 45.584 -0.184 1
1 1014 . 11 1 1 A 85 85 GLY N N 85 105.600 107.582 -1.982 1
1 1015 . 11 1 1 A 86 86 TYR H H 86 8.120 8.376 -0.256 1
1 1016 . 11 1 1 A 86 86 TYR HA H 86 4.740 4.490 0.250 1
1 1023 . 11 1 1 A 86 86 TYR CA C 86 55.800 59.381 -3.581 1
1 1024 . 11 1 1 A 86 86 TYR CB C 86 38.000 39.842 -1.842 1
1 1027 . 11 1 1 A 86 86 TYR N N 86 118.700 118.341 0.359 1
1 1028 . 11 1 1 A 87 87 ARG H H 87 7.500 7.417 0.083 1
1 1029 . 11 1 1 A 87 87 ARG HA H 87 4.710 4.825 -0.115 1
1 1037 . 11 1 1 A 87 87 ARG CA C 87 54.100 54.091 0.009 1
1 1038 . 11 1 1 A 87 87 ARG CB C 87 31.900 33.388 -1.488 1
1 1041 . 11 1 1 A 87 87 ARG N N 87 111.200 116.516 -5.316 1
1 1043 . 11 1 1 A 88 88 GLU H H 88 9.190 8.657 0.533 1
1 1044 . 11 1 1 A 88 88 GLU HA H 88 4.760 4.459 0.301 1
1 1049 . 11 1 1 A 88 88 GLU CA C 88 54.800 55.993 -1.193 1
1 1050 . 11 1 1 A 88 88 GLU CB C 88 32.500 30.742 1.758 1
1 1052 . 11 1 1 A 88 88 GLU N N 88 118.800 119.474 -0.674 1
1 1053 . 11 1 1 A 89 89 GLY H H 89 8.580 8.489 0.091 1
1 1054 . 11 1 1 A 89 89 GLY HA2 H 89 3.850 3.783 0.067 1
1 1055 . 11 1 1 A 89 89 GLY HA3 H 89 4.500 3.784 0.716 1
1 1056 . 11 1 1 A 89 89 GLY CA C 89 43.700 45.662 -1.962 1
1 1057 . 11 1 1 A 89 89 GLY N N 89 107.900 109.866 -1.966 1
1 1058 . 11 1 1 A 90 90 ASP H H 90 8.630 7.901 0.729 1
1 1059 . 11 1 1 A 90 90 ASP HA H 90 4.480 5.024 -0.544 1
1 1062 . 11 1 1 A 90 90 ASP CA C 90 54.600 52.815 1.785 1
1 1063 . 11 1 1 A 90 90 ASP CB C 90 40.500 44.463 -3.963 1
1 1064 . 11 1 1 A 90 90 ASP N N 90 120.700 121.331 -0.631 1
1 1065 . 11 1 1 A 91 91 ASN H H 91 8.930 8.672 0.258 1
1 1066 . 11 1 1 A 91 91 ASN HA H 91 4.580 5.345 -0.765 1
1 1071 . 11 1 1 A 91 91 ASN CA C 91 51.100 49.836 1.264 1
1 1072 . 11 1 1 A 91 91 ASN CB C 91 39.100 39.781 -0.681 1
1 1073 . 11 1 1 A 91 91 ASN N N 91 122.700 123.098 -0.398 1
1 1075 . 11 1 1 A 92 92 PRO HA H 92 4.490 4.307 0.183 1
1 1082 . 11 1 1 A 92 92 PRO CA C 92 63.500 63.854 -0.354 1
1 1083 . 11 1 1 A 92 92 PRO CB C 92 32.300 31.840 0.460 1
1 1086 . 11 1 1 A 93 93 ALA H H 93 8.610 7.842 0.768 1
1 1087 . 11 1 1 A 93 93 ALA HA H 93 4.450 3.967 0.483 1
1 1091 . 11 1 1 A 93 93 ALA CA C 93 52.000 53.285 -1.285 1
1 1092 . 11 1 1 A 93 93 ALA CB C 93 18.100 19.911 -1.811 1
1 1093 . 11 1 1 A 93 93 ALA N N 93 120.500 119.457 1.043 1
1 1094 . 11 1 1 A 94 94 ARG H H 94 7.280 7.290 -0.010 1
1 1095 . 11 1 1 A 94 94 ARG HA H 94 3.830 4.591 -0.761 1
1 1102 . 11 1 1 A 94 94 ARG CA C 94 55.500 55.423 0.077 1
1 1103 . 11 1 1 A 94 94 ARG CB C 94 30.500 31.639 -1.139 1
1 1106 . 11 1 1 A 94 94 ARG N N 94 118.100 119.159 -1.059 1
1 1107 . 11 1 1 A 95 95 TRP H H 95 7.310 9.109 -1.799 1
1 1108 . 11 1 1 A 95 95 TRP HA H 95 4.610 5.180 -0.570 1
1 1117 . 11 1 1 A 95 95 TRP CA C 95 55.200 55.578 -0.378 1
1 1118 . 11 1 1 A 95 95 TRP CB C 95 29.500 31.538 -2.038 1
1 1124 . 11 1 1 A 95 95 TRP N N 95 121.200 127.862 -6.662 1
1 1126 . 11 1 1 A 96 96 ARG H H 96 8.380 8.733 -0.353 1
1 1127 . 11 1 1 A 96 96 ARG HA H 96 4.140 4.246 -0.106 1
1 1134 . 11 1 1 A 96 96 ARG CA C 96 57.200 57.632 -0.432 1
1 1135 . 11 1 1 A 96 96 ARG CB C 96 29.900 30.134 -0.234 1
1 1138 . 11 1 1 A 96 96 ARG N N 96 122.100 123.154 -1.054 1
1 1139 . 11 1 1 A 97 97 GLY H H 97 7.920 7.542 0.378 1
1 1140 . 11 1 1 A 97 97 GLY HA2 H 97 3.710 4.167 -0.457 1
1 1141 . 11 1 1 A 97 97 GLY HA3 H 97 3.630 4.170 -0.540 1
1 1142 . 11 1 1 A 97 97 GLY CA C 97 45.700 45.739 -0.039 1
1 1143 . 11 1 1 A 97 97 GLY N N 97 110.500 106.590 3.910 1
1 1144 . 11 1 1 A 98 98 TYR H H 98 7.770 8.672 -0.902 1
1 1145 . 11 1 1 A 98 98 TYR HA H 98 4.090 4.391 -0.301 1
1 1152 . 11 1 1 A 98 98 TYR CA C 98 59.900 59.907 -0.007 1
1 1153 . 11 1 1 A 98 98 TYR CB C 98 37.100 39.183 -2.083 1
1 1156 . 11 1 1 A 98 98 TYR N N 98 120.400 124.744 -4.344 1
1 1157 . 11 1 1 A 99 99 LEU H H 99 7.820 7.635 0.185 1
1 1158 . 11 1 1 A 99 99 LEU HA H 99 3.890 4.155 -0.265 1
1 1168 . 11 1 1 A 99 99 LEU CA C 99 55.600 53.913 1.687 1
1 1169 . 11 1 1 A 99 99 LEU CB C 99 41.600 41.161 0.439 1
1 1173 . 11 1 1 A 99 99 LEU N N 99 120.700 118.523 2.177 1
1 1174 . 11 1 1 A 100 100 GLU H H 100 7.680 7.477 0.203 1
1 1175 . 11 1 1 A 100 100 GLU HA H 100 3.900 4.131 -0.231 1
1 1180 . 11 1 1 A 100 100 GLU CA C 100 56.500 57.355 -0.855 1
1 1181 . 11 1 1 A 100 100 GLU CB C 100 29.500 30.409 -0.909 1
1 13 . 12 1 1 A 2 2 THR H H 2 9.230 8.482 0.748 1
1 14 . 12 1 1 A 2 2 THR HA H 2 5.080 4.991 0.089 1
1 19 . 12 1 1 A 2 2 THR CA C 2 61.000 60.523 0.477 1
1 20 . 12 1 1 A 2 2 THR CB C 2 70.800 71.494 -0.694 1
1 22 . 12 1 1 A 2 2 THR N N 2 119.100 115.327 3.773 1
1 23 . 12 1 1 A 3 3 PHE H H 3 9.290 9.649 -0.359 1
1 24 . 12 1 1 A 3 3 PHE HA H 3 3.880 4.093 -0.213 1
1 32 . 12 1 1 A 3 3 PHE CA C 3 63.900 62.349 1.551 1
1 33 . 12 1 1 A 3 3 PHE CB C 3 38.800 39.350 -0.550 1
1 37 . 12 1 1 A 3 3 PHE N N 3 122.600 123.723 -1.123 1
1 38 . 12 1 1 A 4 4 SER H H 4 9.930 8.129 1.801 1
1 39 . 12 1 1 A 4 4 SER HA H 4 4.000 4.170 -0.170 1
1 42 . 12 1 1 A 4 4 SER CA C 4 62.800 61.427 1.373 1
1 43 . 12 1 1 A 4 4 SER CB C 4 62.600 62.924 -0.324 1
1 44 . 12 1 1 A 4 4 SER N N 4 116.300 115.861 0.439 1
1 45 . 12 1 1 A 5 5 GLU H H 5 7.980 7.462 0.518 1
1 46 . 12 1 1 A 5 5 GLU HA H 5 3.990 4.036 -0.046 1
1 51 . 12 1 1 A 5 5 GLU CA C 5 58.800 58.919 -0.119 1
1 52 . 12 1 1 A 5 5 GLU CB C 5 29.700 29.636 0.064 1
1 54 . 12 1 1 A 5 5 GLU N N 5 122.800 121.094 1.706 1
1 55 . 12 1 1 A 6 6 CYS H H 6 8.430 8.130 0.300 1
1 56 . 12 1 1 A 6 6 CYS HA H 6 4.120 4.045 0.075 1
1 59 . 12 1 1 A 6 6 CYS CA C 6 63.300 61.810 1.490 1
1 60 . 12 1 1 A 6 6 CYS CB C 6 27.100 27.072 0.028 1
1 61 . 12 1 1 A 6 6 CYS N N 6 120.100 119.555 0.545 1
1 62 . 12 1 1 A 7 7 ALA H H 7 8.770 8.084 0.686 1
1 63 . 12 1 1 A 7 7 ALA HA H 7 3.790 3.848 -0.058 1
1 67 . 12 1 1 A 7 7 ALA CA C 7 55.200 54.892 0.308 1
1 68 . 12 1 1 A 7 7 ALA CB C 7 17.400 17.899 -0.499 1
1 69 . 12 1 1 A 7 7 ALA N N 7 120.400 122.344 -1.944 1
1 70 . 12 1 1 A 8 8 ALA H H 8 7.800 8.012 -0.212 1
1 71 . 12 1 1 A 8 8 ALA HA H 8 4.130 4.125 0.005 1
1 75 . 12 1 1 A 8 8 ALA CA C 8 55.200 55.085 0.115 1
1 76 . 12 1 1 A 8 8 ALA CB C 8 17.700 17.967 -0.267 1
1 77 . 12 1 1 A 8 8 ALA N N 8 119.200 120.682 -1.482 1
1 78 . 12 1 1 A 9 9 LEU H H 9 8.120 8.072 0.048 1
1 79 . 12 1 1 A 9 9 LEU HA H 9 4.080 3.876 0.204 1
1 89 . 12 1 1 A 9 9 LEU CA C 9 57.700 57.782 -0.082 1
1 90 . 12 1 1 A 9 9 LEU CB C 9 42.000 42.068 -0.068 1
1 94 . 12 1 1 A 9 9 LEU N N 9 120.300 118.792 1.508 1
1 95 . 12 1 1 A 10 10 TYR H H 10 8.700 8.022 0.678 1
1 96 . 12 1 1 A 10 10 TYR HA H 10 2.330 3.003 -0.673 1
1 103 . 12 1 1 A 10 10 TYR CA C 10 62.000 60.883 1.117 1
1 104 . 12 1 1 A 10 10 TYR CB C 10 38.100 38.006 0.094 1
1 107 . 12 1 1 A 10 10 TYR N N 10 122.900 118.148 4.752 1
1 108 . 12 1 1 A 11 11 ILE H H 11 8.600 8.475 0.125 1
1 109 . 12 1 1 A 11 11 ILE HA H 11 3.270 3.450 -0.180 1
1 119 . 12 1 1 A 11 11 ILE CA C 11 65.600 65.008 0.592 1
1 120 . 12 1 1 A 11 11 ILE CB C 11 38.200 37.651 0.549 1
1 124 . 12 1 1 A 11 11 ILE N N 11 123.900 121.193 2.707 1
1 125 . 12 1 1 A 12 12 LYS H H 12 7.910 8.331 -0.421 1
1 126 . 12 1 1 A 12 12 LYS HA H 12 3.870 4.006 -0.136 1
1 135 . 12 1 1 A 12 12 LYS CA C 12 59.900 59.170 0.730 1
1 136 . 12 1 1 A 12 12 LYS CB C 12 32.600 32.179 0.421 1
1 140 . 12 1 1 A 12 12 LYS N N 12 120.600 119.533 1.067 1
1 141 . 12 1 1 A 13 13 ALA H H 13 7.790 7.466 0.324 1
1 142 . 12 1 1 A 13 13 ALA HA H 13 4.100 3.913 0.187 1
1 146 . 12 1 1 A 13 13 ALA CA C 13 53.200 54.037 -0.837 1
1 147 . 12 1 1 A 13 13 ALA CB C 13 18.200 17.992 0.208 1
1 148 . 12 1 1 A 13 13 ALA N N 13 118.100 120.246 -2.146 1
1 149 . 12 1 1 A 14 14 HIS H H 14 7.160 7.325 -0.165 1
1 150 . 12 1 1 A 14 14 HIS HA H 14 3.990 4.292 -0.302 1
1 155 . 12 1 1 A 14 14 HIS CA C 14 56.500 54.569 1.931 1
1 156 . 12 1 1 A 14 14 HIS CB C 14 27.000 28.951 -1.951 1
1 159 . 12 1 1 A 14 14 HIS N N 14 113.200 115.466 -2.266 1
1 160 . 12 1 1 A 15 15 ARG H H 15 7.420 7.722 -0.302 1
1 161 . 12 1 1 A 15 15 ARG HA H 15 3.760 3.975 -0.215 1
1 168 . 12 1 1 A 15 15 ARG CA C 15 59.800 58.313 1.487 1
1 169 . 12 1 1 A 15 15 ARG CB C 15 29.800 29.643 0.157 1
1 172 . 12 1 1 A 15 15 ARG N N 15 121.100 119.918 1.182 1
1 173 . 12 1 1 A 16 16 SER H H 16 8.540 7.840 0.700 1
1 174 . 12 1 1 A 16 16 SER HA H 16 4.230 4.186 0.044 1
1 177 . 12 1 1 A 16 16 SER CA C 16 60.800 61.406 -0.606 1
1 178 . 12 1 1 A 16 16 SER CB C 16 62.200 63.175 -0.975 1
1 179 . 12 1 1 A 16 16 SER N N 16 114.100 118.069 -3.969 1
1 180 . 12 1 1 A 17 17 SER H H 17 7.680 7.674 0.006 1
1 181 . 12 1 1 A 17 17 SER HA H 17 4.370 4.344 0.026 1
1 184 . 12 1 1 A 17 17 SER CA C 17 59.800 61.039 -1.239 1
1 185 . 12 1 1 A 17 17 SER CB C 17 63.100 63.164 -0.064 1
1 186 . 12 1 1 A 17 17 SER N N 17 116.700 116.239 0.461 1
1 187 . 12 1 1 A 18 18 TRP H H 18 7.640 7.442 0.198 1
1 188 . 12 1 1 A 18 18 TRP HA H 18 4.990 4.917 0.073 1
1 197 . 12 1 1 A 18 18 TRP CA C 18 55.200 56.126 -0.926 1
1 198 . 12 1 1 A 18 18 TRP CB C 18 29.500 28.040 1.460 1
1 204 . 12 1 1 A 18 18 TRP N N 18 121.200 118.857 2.343 1
1 206 . 12 1 1 A 19 19 LYS H H 19 7.920 7.629 0.291 1
1 207 . 12 1 1 A 19 19 LYS HA H 19 4.180 5.028 -0.848 1
1 216 . 12 1 1 A 19 19 LYS CA C 19 58.100 54.701 3.399 1
1 217 . 12 1 1 A 19 19 LYS CB C 19 32.200 35.236 -3.036 1
1 221 . 12 1 1 A 19 19 LYS N N 19 121.100 117.161 3.939 1
1 222 . 12 1 1 A 20 20 ASN H H 20 8.630 8.988 -0.358 1
1 223 . 12 1 1 A 20 20 ASN HA H 20 4.760 5.253 -0.493 1
1 228 . 12 1 1 A 20 20 ASN CA C 20 53.600 51.959 1.641 1
1 229 . 12 1 1 A 20 20 ASN CB C 20 38.200 39.438 -1.238 1
1 230 . 12 1 1 A 20 20 ASN N N 20 116.500 122.936 -6.436 1
1 232 . 12 1 1 A 21 21 THR H H 21 8.320 8.140 0.180 1
1 233 . 12 1 1 A 21 21 THR HA H 21 4.470 4.940 -0.470 1
1 238 . 12 1 1 A 21 21 THR CA C 21 62.500 59.514 2.986 1
1 239 . 12 1 1 A 21 21 THR CB C 21 70.700 71.632 -0.932 1
1 241 . 12 1 1 A 21 21 THR N N 21 113.700 116.400 -2.700 1
1 242 . 12 1 1 A 22 22 LYS H H 22 8.440 8.916 -0.476 1
1 243 . 12 1 1 A 22 22 LYS HA H 22 4.500 4.326 0.174 1
1 252 . 12 1 1 A 22 22 LYS CA C 22 56.700 57.374 -0.674 1
1 253 . 12 1 1 A 22 22 LYS CB C 22 31.700 32.289 -0.589 1
1 257 . 12 1 1 A 22 22 LYS N N 22 120.900 121.686 -0.786 1
1 258 . 12 1 1 A 23 23 HIS H H 23 8.110 8.002 0.108 1
1 259 . 12 1 1 A 23 23 HIS HA H 23 4.450 4.336 0.114 1
1 264 . 12 1 1 A 23 23 HIS CA C 23 57.300 58.753 -1.453 1
1 265 . 12 1 1 A 23 23 HIS CB C 23 27.900 28.816 -0.916 1
1 268 . 12 1 1 A 23 23 HIS N N 23 116.800 119.275 -2.475 1
1 269 . 12 1 1 A 24 24 ALA H H 24 8.490 8.061 0.429 1
1 270 . 12 1 1 A 24 24 ALA HA H 24 4.000 3.726 0.274 1
1 274 . 12 1 1 A 24 24 ALA CA C 24 55.700 55.243 0.457 1
1 275 . 12 1 1 A 24 24 ALA CB C 24 18.000 18.492 -0.492 1
1 276 . 12 1 1 A 24 24 ALA N N 24 121.700 123.470 -1.770 1
1 277 . 12 1 1 A 25 25 ASP H H 25 8.370 8.058 0.312 1
1 278 . 12 1 1 A 25 25 ASP HA H 25 4.450 4.428 0.022 1
1 281 . 12 1 1 A 25 25 ASP CA C 25 56.800 57.645 -0.845 1
1 282 . 12 1 1 A 25 25 ASP CB C 25 40.200 41.122 -0.922 1
1 283 . 12 1 1 A 25 25 ASP N N 25 119.100 118.431 0.669 1
1 284 . 12 1 1 A 26 26 GLN H H 26 8.020 8.130 -0.110 1
1 285 . 12 1 1 A 26 26 GLN HA H 26 4.250 4.090 0.160 1
1 292 . 12 1 1 A 26 26 GLN CA C 26 58.600 59.200 -0.600 1
1 293 . 12 1 1 A 26 26 GLN CB C 26 28.500 27.999 0.501 1
1 295 . 12 1 1 A 26 26 GLN N N 26 119.500 117.192 2.308 1
1 297 . 12 1 1 A 27 27 TRP H H 27 8.610 8.635 -0.025 1
1 298 . 12 1 1 A 27 27 TRP HA H 27 3.840 4.451 -0.611 1
1 307 . 12 1 1 A 27 27 TRP CA C 27 62.400 59.507 2.893 1
1 308 . 12 1 1 A 27 27 TRP CB C 27 28.300 29.532 -1.232 1
1 314 . 12 1 1 A 27 27 TRP N N 27 122.000 120.831 1.169 1
1 316 . 12 1 1 A 28 28 THR H H 28 8.460 7.731 0.729 1
1 317 . 12 1 1 A 28 28 THR HA H 28 3.790 4.160 -0.370 1
1 322 . 12 1 1 A 28 28 THR CA C 28 67.000 67.039 -0.039 1
1 323 . 12 1 1 A 28 28 THR CB C 28 68.900 68.123 0.777 1
1 325 . 12 1 1 A 28 28 THR N N 28 114.800 114.719 0.081 1
1 326 . 12 1 1 A 29 29 ASN H H 29 8.650 8.730 -0.080 1
1 327 . 12 1 1 A 29 29 ASN HA H 29 4.530 4.426 0.104 1
1 332 . 12 1 1 A 29 29 ASN CA C 29 56.600 56.457 0.143 1
1 333 . 12 1 1 A 29 29 ASN CB C 29 38.400 39.182 -0.782 1
1 334 . 12 1 1 A 29 29 ASN N N 29 118.500 119.556 -1.056 1
1 336 . 12 1 1 A 30 30 THR H H 30 8.170 8.380 -0.210 1
1 337 . 12 1 1 A 30 30 THR HA H 30 4.160 4.160 0.000 1
1 342 . 12 1 1 A 30 30 THR CA C 30 66.100 67.186 -1.086 1
1 343 . 12 1 1 A 30 30 THR CB C 30 69.300 67.977 1.323 1
1 345 . 12 1 1 A 30 30 THR N N 30 113.100 115.674 -2.574 1
1 346 . 12 1 1 A 31 31 ILE H H 31 8.030 7.761 0.269 1
1 347 . 12 1 1 A 31 31 ILE HA H 31 3.850 3.686 0.164 1
1 357 . 12 1 1 A 31 31 ILE CA C 31 65.200 65.468 -0.268 1
1 358 . 12 1 1 A 31 31 ILE CB C 31 36.300 37.902 -1.602 1
1 362 . 12 1 1 A 31 31 ILE N N 31 122.000 121.214 0.786 1
1 363 . 12 1 1 A 32 32 LYS H H 32 8.320 8.548 -0.228 1
1 364 . 12 1 1 A 32 32 LYS HA H 32 4.090 4.094 -0.004 1
1 373 . 12 1 1 A 32 32 LYS CA C 32 60.500 59.473 1.027 1
1 374 . 12 1 1 A 32 32 LYS CB C 32 32.500 32.114 0.386 1
1 378 . 12 1 1 A 32 32 LYS N N 32 121.300 121.500 -0.200 1
1 379 . 12 1 1 A 33 33 THR H H 33 8.160 7.552 0.608 1
1 380 . 12 1 1 A 33 33 THR HA H 33 3.690 3.923 -0.233 1
1 385 . 12 1 1 A 33 33 THR CA C 33 66.500 66.506 -0.006 1
1 386 . 12 1 1 A 33 33 THR CB C 33 69.200 68.966 0.234 1
1 388 . 12 1 1 A 33 33 THR N N 33 113.400 116.797 -3.397 1
1 389 . 12 1 1 A 34 34 TYR H H 34 7.640 8.054 -0.414 1
1 390 . 12 1 1 A 34 34 TYR HA H 34 4.670 4.355 0.315 1
1 397 . 12 1 1 A 34 34 TYR CA C 34 59.800 60.446 -0.646 1
1 398 . 12 1 1 A 34 34 TYR CB C 34 39.800 38.984 0.816 1
1 401 . 12 1 1 A 34 34 TYR N N 34 113.700 118.809 -5.109 1
1 402 . 12 1 1 A 35 35 CYS H H 35 8.170 8.538 -0.368 1
1 403 . 12 1 1 A 35 35 CYS HA H 35 4.470 4.379 0.091 1
1 406 . 12 1 1 A 35 35 CYS CA C 35 60.700 61.866 -1.166 1
1 407 . 12 1 1 A 35 35 CYS CB C 35 27.700 28.137 -0.437 1
1 408 . 12 1 1 A 35 35 CYS N N 35 113.100 118.415 -5.315 1
1 409 . 12 1 1 A 36 36 GLY H H 36 8.110 8.350 -0.240 1
1 410 . 12 1 1 A 36 36 GLY HA2 H 36 3.880 3.802 0.078 1
1 411 . 12 1 1 A 36 36 GLY HA3 H 36 4.480 3.837 0.643 1
1 412 . 12 1 1 A 36 36 GLY CA C 36 49.400 48.248 1.152 1
1 413 . 12 1 1 A 36 36 GLY N N 36 110.800 109.707 1.093 1
1 414 . 12 1 1 A 37 37 PRO HA H 37 4.470 4.379 0.091 1
1 421 . 12 1 1 A 37 37 PRO CA C 37 64.400 64.763 -0.363 1
1 422 . 12 1 1 A 37 37 PRO CB C 37 32.700 31.461 1.239 1
1 425 . 12 1 1 A 38 38 VAL H H 38 7.270 7.571 -0.301 1
1 426 . 12 1 1 A 38 38 VAL HA H 38 4.190 4.024 0.166 1
1 434 . 12 1 1 A 38 38 VAL CA C 38 63.600 63.213 0.387 1
1 435 . 12 1 1 A 38 38 VAL CB C 38 34.800 32.154 2.646 1
1 438 . 12 1 1 A 38 38 VAL N N 38 113.900 115.593 -1.693 1
1 439 . 12 1 1 A 39 39 ILE H H 39 7.590 7.887 -0.297 1
1 440 . 12 1 1 A 39 39 ILE HA H 39 4.590 4.388 0.202 1
1 450 . 12 1 1 A 39 39 ILE CA C 39 60.500 60.550 -0.050 1
1 451 . 12 1 1 A 39 39 ILE CB C 39 39.500 38.077 1.423 1
1 455 . 12 1 1 A 39 39 ILE N N 39 107.400 115.081 -7.681 1
1 456 . 12 1 1 A 40 40 GLY H H 40 7.670 8.016 -0.346 1
1 457 . 12 1 1 A 40 40 GLY HA2 H 40 4.040 3.817 0.223 1
1 458 . 12 1 1 A 40 40 GLY HA3 H 40 4.430 3.960 0.470 1
1 459 . 12 1 1 A 40 40 GLY CA C 40 49.400 48.169 1.231 1
1 460 . 12 1 1 A 40 40 GLY N N 40 109.200 112.442 -3.242 1
1 461 . 12 1 1 A 41 41 PRO HA H 41 4.770 4.518 0.252 1
1 468 . 12 1 1 A 41 41 PRO CA C 41 63.200 63.999 -0.799 1
1 469 . 12 1 1 A 41 41 PRO CB C 41 31.800 31.972 -0.172 1
1 472 . 12 1 1 A 42 42 LEU H H 42 7.540 7.592 -0.052 1
1 473 . 12 1 1 A 42 42 LEU HA H 42 4.320 4.379 -0.059 1
1 483 . 12 1 1 A 42 42 LEU CA C 42 54.000 54.423 -0.423 1
1 484 . 12 1 1 A 42 42 LEU CB C 42 42.000 42.659 -0.659 1
1 488 . 12 1 1 A 42 42 LEU N N 42 119.600 120.186 -0.586 1
1 489 . 12 1 1 A 43 43 SER H H 43 8.880 8.637 0.243 1
1 490 . 12 1 1 A 43 43 SER HA H 43 4.510 4.769 -0.259 1
1 493 . 12 1 1 A 43 43 SER CA C 43 58.600 59.766 -1.166 1
1 494 . 12 1 1 A 43 43 SER CB C 43 63.000 63.673 -0.673 1
1 495 . 12 1 1 A 43 43 SER N N 43 116.100 117.928 -1.828 1
1 496 . 12 1 1 A 44 44 VAL H H 44 9.020 9.342 -0.322 1
1 497 . 12 1 1 A 44 44 VAL HA H 44 3.920 4.156 -0.236 1
1 505 . 12 1 1 A 44 44 VAL CA C 44 65.900 64.475 1.425 1
1 506 . 12 1 1 A 44 44 VAL CB C 44 32.100 31.889 0.211 1
1 509 . 12 1 1 A 44 44 VAL N N 44 124.400 126.870 -2.470 1
1 510 . 12 1 1 A 45 45 GLN H H 45 8.700 8.068 0.632 1
1 511 . 12 1 1 A 45 45 GLN HA H 45 4.170 4.191 -0.021 1
1 518 . 12 1 1 A 45 45 GLN CA C 45 57.400 58.483 -1.083 1
1 519 . 12 1 1 A 45 45 GLN CB C 45 29.000 28.640 0.360 1
1 521 . 12 1 1 A 45 45 GLN N N 45 120.500 121.233 -0.733 1
1 523 . 12 1 1 A 46 46 ASP H H 46 7.870 7.768 0.102 1
1 524 . 12 1 1 A 46 46 ASP HA H 46 4.720 4.646 0.074 1
1 527 . 12 1 1 A 46 46 ASP CA C 46 54.400 54.773 -0.373 1
1 528 . 12 1 1 A 46 46 ASP CB C 46 40.800 41.802 -1.002 1
1 529 . 12 1 1 A 46 46 ASP N N 46 117.200 117.420 -0.220 1
1 530 . 12 1 1 A 47 47 VAL H H 47 6.970 7.236 -0.266 1
1 531 . 12 1 1 A 47 47 VAL HA H 47 3.490 3.896 -0.406 1
1 539 . 12 1 1 A 47 47 VAL CA C 47 65.200 62.999 2.201 1
1 540 . 12 1 1 A 47 47 VAL CB C 47 31.100 31.677 -0.577 1
1 543 . 12 1 1 A 47 47 VAL N N 47 118.500 121.386 -2.886 1
1 544 . 12 1 1 A 48 48 ASP H H 48 7.220 8.429 -1.209 1
1 545 . 12 1 1 A 48 48 ASP HA H 48 4.910 4.953 -0.043 1
1 548 . 12 1 1 A 48 48 ASP CA C 48 51.600 52.429 -0.829 1
1 549 . 12 1 1 A 48 48 ASP CB C 48 42.700 43.665 -0.965 1
1 550 . 12 1 1 A 48 48 ASP N N 48 128.000 129.005 -1.005 1
1 551 . 12 1 1 A 49 49 THR H H 49 8.490 9.033 -0.543 1
1 552 . 12 1 1 A 49 49 THR HA H 49 3.770 3.910 -0.140 1
1 557 . 12 1 1 A 49 49 THR CA C 49 67.300 65.865 1.435 1
1 558 . 12 1 1 A 49 49 THR CB C 49 68.900 68.666 0.234 1
1 560 . 12 1 1 A 49 49 THR N N 49 115.800 119.085 -3.285 1
1 561 . 12 1 1 A 50 50 LYS H H 50 7.860 8.572 -0.712 1
1 562 . 12 1 1 A 50 50 LYS HA H 50 3.860 4.084 -0.224 1
1 571 . 12 1 1 A 50 50 LYS CA C 50 60.000 59.177 0.823 1
1 572 . 12 1 1 A 50 50 LYS CB C 50 31.600 32.101 -0.501 1
1 576 . 12 1 1 A 50 50 LYS N N 50 120.500 120.412 0.088 1
1 577 . 12 1 1 A 51 51 LEU H H 51 8.190 8.134 0.056 1
1 578 . 12 1 1 A 51 51 LEU HA H 51 4.050 4.030 0.020 1
1 588 . 12 1 1 A 51 51 LEU CA C 51 57.600 58.095 -0.495 1
1 589 . 12 1 1 A 51 51 LEU CB C 51 42.400 41.560 0.840 1
1 593 . 12 1 1 A 51 51 LEU N N 51 120.600 118.994 1.606 1
1 594 . 12 1 1 A 52 52 ILE H H 52 7.850 8.074 -0.224 1
1 595 . 12 1 1 A 52 52 ILE HA H 52 3.440 3.524 -0.084 1
1 605 . 12 1 1 A 52 52 ILE CA C 52 65.200 64.848 0.352 1
1 606 . 12 1 1 A 52 52 ILE CB C 52 36.700 37.140 -0.440 1
1 610 . 12 1 1 A 52 52 ILE N N 52 118.600 120.434 -1.834 1
1 611 . 12 1 1 A 53 53 MET H H 53 8.540 8.581 -0.041 1
1 612 . 12 1 1 A 53 53 MET HA H 53 4.040 4.153 -0.113 1
1 620 . 12 1 1 A 53 53 MET CA C 53 59.000 59.290 -0.290 1
1 621 . 12 1 1 A 53 53 MET CB C 53 31.300 32.473 -1.173 1
1 624 . 12 1 1 A 53 53 MET N N 53 118.600 118.418 0.182 1
1 625 . 12 1 1 A 54 54 LYS H H 54 7.620 7.766 -0.146 1
1 626 . 12 1 1 A 54 54 LYS HA H 54 4.140 4.094 0.046 1
1 635 . 12 1 1 A 54 54 LYS CA C 54 59.200 59.319 -0.119 1
1 636 . 12 1 1 A 54 54 LYS CB C 54 32.300 32.663 -0.363 1
1 640 . 12 1 1 A 54 54 LYS N N 54 119.100 119.174 -0.074 1
1 641 . 12 1 1 A 55 55 VAL H H 55 7.560 7.215 0.345 1
1 642 . 12 1 1 A 55 55 VAL HA H 55 3.670 3.571 0.099 1
1 650 . 12 1 1 A 55 55 VAL CA C 55 65.600 65.959 -0.359 1
1 651 . 12 1 1 A 55 55 VAL CB C 55 31.900 31.603 0.297 1
1 654 . 12 1 1 A 55 55 VAL N N 55 117.200 119.797 -2.597 1
1 655 . 12 1 1 A 56 56 LEU H H 56 7.790 8.106 -0.316 1
1 656 . 12 1 1 A 56 56 LEU HA H 56 3.900 3.687 0.213 1
1 666 . 12 1 1 A 56 56 LEU CA C 56 56.400 56.934 -0.534 1
1 667 . 12 1 1 A 56 56 LEU CB C 56 42.700 41.431 1.269 1
1 671 . 12 1 1 A 56 56 LEU N N 56 114.400 118.163 -3.763 1
1 672 . 12 1 1 A 57 57 ASP H H 57 8.850 8.251 0.599 1
1 673 . 12 1 1 A 57 57 ASP HA H 57 4.140 4.650 -0.510 1
1 676 . 12 1 1 A 57 57 ASP CA C 57 59.100 59.328 -0.228 1
1 677 . 12 1 1 A 57 57 ASP CB C 57 38.200 38.322 -0.122 1
1 678 . 12 1 1 A 57 57 ASP N N 57 120.500 120.861 -0.361 1
1 679 . 12 1 1 A 58 58 PRO HA H 58 4.520 4.399 0.121 1
1 686 . 12 1 1 A 58 58 PRO CA C 58 65.300 65.231 0.069 1
1 687 . 12 1 1 A 58 58 PRO CB C 58 31.700 30.877 0.823 1
1 690 . 12 1 1 A 59 59 ILE H H 59 7.400 7.293 0.107 1
1 691 . 12 1 1 A 59 59 ILE HA H 59 4.060 3.830 0.230 1
1 701 . 12 1 1 A 59 59 ILE CA C 59 62.300 63.780 -1.480 1
1 702 . 12 1 1 A 59 59 ILE CB C 59 39.300 36.738 2.562 1
1 706 . 12 1 1 A 59 59 ILE N N 59 113.300 116.325 -3.025 1
1 707 . 12 1 1 A 60 60 TRP H H 60 8.000 7.943 0.057 1
1 708 . 12 1 1 A 60 60 TRP HA H 60 3.830 4.395 -0.565 1
1 717 . 12 1 1 A 60 60 TRP CA C 60 61.300 59.508 1.792 1
1 718 . 12 1 1 A 60 60 TRP CB C 60 29.700 29.317 0.383 1
1 724 . 12 1 1 A 60 60 TRP N N 60 120.900 121.529 -0.629 1
1 726 . 12 1 1 A 61 61 GLU H H 61 7.840 7.638 0.202 1
1 727 . 12 1 1 A 61 61 GLU HA H 61 4.110 4.274 -0.164 1
1 732 . 12 1 1 A 61 61 GLU CA C 61 58.100 58.883 -0.783 1
1 733 . 12 1 1 A 61 61 GLU CB C 61 29.500 30.072 -0.572 1
1 735 . 12 1 1 A 61 61 GLU N N 61 112.300 120.105 -7.805 1
1 736 . 12 1 1 A 62 62 GLN H H 62 7.710 8.129 -0.419 1
1 737 . 12 1 1 A 62 62 GLN HA H 62 4.400 4.251 0.149 1
1 744 . 12 1 1 A 62 62 GLN CA C 62 57.200 58.284 -1.084 1
1 745 . 12 1 1 A 62 62 GLN CB C 62 30.800 29.181 1.619 1
1 747 . 12 1 1 A 62 62 GLN N N 62 115.200 119.252 -4.052 1
1 749 . 12 1 1 A 63 63 LYS H H 63 8.500 8.218 0.282 1
1 750 . 12 1 1 A 63 63 LYS HA H 63 4.860 4.778 0.082 1
1 759 . 12 1 1 A 63 63 LYS CA C 63 53.300 53.847 -0.547 1
1 760 . 12 1 1 A 63 63 LYS CB C 63 33.800 32.899 0.901 1
1 764 . 12 1 1 A 63 63 LYS N N 63 117.800 119.079 -1.279 1
1 765 . 12 1 1 A 64 64 PRO HA H 64 4.110 4.405 -0.295 1
1 772 . 12 1 1 A 64 64 PRO CA C 64 66.000 65.761 0.239 1
1 773 . 12 1 1 A 64 64 PRO CB C 64 31.500 31.848 -0.348 1
1 776 . 12 1 1 A 65 65 GLU H H 65 8.680 8.676 0.004 1
1 777 . 12 1 1 A 65 65 GLU HA H 65 4.120 4.092 0.028 1
1 782 . 12 1 1 A 65 65 GLU CA C 65 59.300 59.389 -0.089 1
1 783 . 12 1 1 A 65 65 GLU CB C 65 28.500 29.127 -0.627 1
1 785 . 12 1 1 A 65 65 GLU N N 65 117.800 118.458 -0.658 1
1 786 . 12 1 1 A 66 66 THR H H 66 7.370 7.928 -0.558 1
1 787 . 12 1 1 A 66 66 THR HA H 66 3.820 3.775 0.045 1
1 792 . 12 1 1 A 66 66 THR CA C 66 66.200 66.489 -0.289 1
1 793 . 12 1 1 A 66 66 THR CB C 66 68.200 68.493 -0.293 1
1 795 . 12 1 1 A 66 66 THR N N 66 117.800 117.779 0.021 1
1 796 . 12 1 1 A 67 67 ALA H H 67 7.890 8.280 -0.390 1
1 797 . 12 1 1 A 67 67 ALA HA H 67 3.380 3.607 -0.227 1
1 801 . 12 1 1 A 67 67 ALA CA C 67 55.200 55.066 0.134 1
1 802 . 12 1 1 A 67 67 ALA CB C 67 17.400 17.496 -0.096 1
1 803 . 12 1 1 A 67 67 ALA N N 67 123.900 123.972 -0.072 1
1 804 . 12 1 1 A 68 68 SER H H 68 7.920 7.944 -0.024 1
1 805 . 12 1 1 A 68 68 SER HA H 68 4.070 4.143 -0.073 1
1 808 . 12 1 1 A 68 68 SER CA C 68 61.200 61.554 -0.354 1
1 809 . 12 1 1 A 68 68 SER CB C 68 62.700 62.741 -0.041 1
1 810 . 12 1 1 A 68 68 SER N N 68 111.500 112.933 -1.433 1
1 811 . 12 1 1 A 69 69 ARG H H 69 7.840 7.646 0.194 1
1 812 . 12 1 1 A 69 69 ARG HA H 69 4.010 4.018 -0.008 1
1 819 . 12 1 1 A 69 69 ARG CA C 69 58.700 58.862 -0.162 1
1 820 . 12 1 1 A 69 69 ARG CB C 69 30.000 29.813 0.187 1
1 823 . 12 1 1 A 69 69 ARG N N 69 121.200 122.284 -1.084 1
1 824 . 12 1 1 A 70 70 LEU H H 70 8.490 8.400 0.090 1
1 825 . 12 1 1 A 70 70 LEU HA H 70 3.740 3.898 -0.158 1
1 835 . 12 1 1 A 70 70 LEU CA C 70 57.500 57.544 -0.044 1
1 836 . 12 1 1 A 70 70 LEU CB C 70 41.100 41.285 -0.185 1
1 840 . 12 1 1 A 70 70 LEU N N 70 121.100 121.317 -0.217 1
1 841 . 12 1 1 A 71 71 ARG H H 71 8.460 8.299 0.161 1
1 842 . 12 1 1 A 71 71 ARG HA H 71 3.540 3.833 -0.293 1
1 850 . 12 1 1 A 71 71 ARG CA C 71 60.700 59.620 1.080 1
1 851 . 12 1 1 A 71 71 ARG CB C 71 28.000 29.550 -1.550 1
1 854 . 12 1 1 A 71 71 ARG N N 71 119.800 118.551 1.249 1
1 856 . 12 1 1 A 72 72 GLY H H 72 7.530 8.312 -0.782 1
1 857 . 12 1 1 A 72 72 GLY HA2 H 72 3.980 3.801 0.179 1
1 858 . 12 1 1 A 72 72 GLY HA3 H 72 3.870 3.828 0.042 1
1 859 . 12 1 1 A 72 72 GLY CA C 72 47.100 47.275 -0.175 1
1 860 . 12 1 1 A 72 72 GLY N N 72 103.400 106.915 -3.515 1
1 861 . 12 1 1 A 73 73 ARG H H 73 7.800 7.757 0.043 1
1 862 . 12 1 1 A 73 73 ARG HA H 73 3.930 3.944 -0.014 1
1 869 . 12 1 1 A 73 73 ARG CA C 73 59.400 58.556 0.844 1
1 870 . 12 1 1 A 73 73 ARG CB C 73 29.500 29.134 0.366 1
1 873 . 12 1 1 A 73 73 ARG N N 73 122.800 120.918 1.882 1
1 874 . 12 1 1 A 74 74 ILE H H 74 8.420 8.048 0.372 1
1 875 . 12 1 1 A 74 74 ILE HA H 74 3.440 3.830 -0.390 1
1 885 . 12 1 1 A 74 74 ILE CA C 74 66.500 65.640 0.860 1
1 886 . 12 1 1 A 74 74 ILE CB C 74 38.300 37.378 0.922 1
1 890 . 12 1 1 A 74 74 ILE N N 74 118.800 121.014 -2.214 1
1 891 . 12 1 1 A 75 75 GLU H H 75 8.620 8.952 -0.332 1
1 892 . 12 1 1 A 75 75 GLU HA H 75 3.840 4.044 -0.204 1
1 897 . 12 1 1 A 75 75 GLU CA C 75 59.900 59.815 0.085 1
1 898 . 12 1 1 A 75 75 GLU CB C 75 29.400 29.609 -0.209 1
1 900 . 12 1 1 A 75 75 GLU N N 75 119.200 122.003 -2.803 1
1 901 . 12 1 1 A 76 76 SER H H 76 8.380 7.516 0.864 1
1 902 . 12 1 1 A 76 76 SER HA H 76 4.460 4.337 0.123 1
1 905 . 12 1 1 A 76 76 SER CA C 76 62.900 61.500 1.400 1
1 906 . 12 1 1 A 76 76 SER CB C 76 63.000 62.805 0.195 1
1 907 . 12 1 1 A 76 76 SER N N 76 116.000 114.656 1.344 1
1 908 . 12 1 1 A 77 77 VAL H H 77 8.190 7.807 0.383 1
1 909 . 12 1 1 A 77 77 VAL HA H 77 3.290 3.269 0.021 1
1 917 . 12 1 1 A 77 77 VAL CA C 77 66.800 66.898 -0.098 1
1 918 . 12 1 1 A 77 77 VAL CB C 77 31.400 31.401 -0.001 1
1 921 . 12 1 1 A 77 77 VAL N N 77 122.800 121.154 1.646 1
1 922 . 12 1 1 A 78 78 LEU H H 78 8.590 8.592 -0.002 1
1 923 . 12 1 1 A 78 78 LEU HA H 78 4.270 3.993 0.277 1
1 933 . 12 1 1 A 78 78 LEU CA C 78 57.800 58.269 -0.469 1
1 934 . 12 1 1 A 78 78 LEU CB C 78 40.900 41.500 -0.600 1
1 938 . 12 1 1 A 78 78 LEU N N 78 116.900 119.181 -2.281 1
1 939 . 12 1 1 A 79 79 ASP H H 79 8.790 8.684 0.106 1
1 940 . 12 1 1 A 79 79 ASP HA H 79 4.730 4.334 0.396 1
1 943 . 12 1 1 A 79 79 ASP CA C 79 57.900 57.439 0.461 1
1 944 . 12 1 1 A 79 79 ASP CB C 79 40.400 41.215 -0.815 1
1 945 . 12 1 1 A 79 79 ASP N N 79 123.800 118.488 5.312 1
1 946 . 12 1 1 A 80 80 TRP H H 80 8.210 8.337 -0.127 1
1 947 . 12 1 1 A 80 80 TRP HA H 80 4.380 4.336 0.044 1
1 956 . 12 1 1 A 80 80 TRP CA C 80 61.600 61.479 0.121 1
1 957 . 12 1 1 A 80 80 TRP CB C 80 29.100 29.456 -0.356 1
1 963 . 12 1 1 A 80 80 TRP N N 80 123.700 121.979 1.721 1
1 965 . 12 1 1 A 81 81 ALA H H 81 8.980 8.347 0.633 1
1 966 . 12 1 1 A 81 81 ALA HA H 81 3.850 3.919 -0.069 1
1 970 . 12 1 1 A 81 81 ALA CA C 81 54.500 55.230 -0.730 1
1 971 . 12 1 1 A 81 81 ALA CB C 81 19.600 18.069 1.531 1
1 972 . 12 1 1 A 81 81 ALA N N 81 118.400 121.272 -2.872 1
1 973 . 12 1 1 A 82 82 THR H H 82 7.990 7.774 0.216 1
1 974 . 12 1 1 A 82 82 THR HA H 82 4.310 3.960 0.350 1
1 979 . 12 1 1 A 82 82 THR CA C 82 65.800 66.954 -1.154 1
1 980 . 12 1 1 A 82 82 THR CB C 82 68.800 68.474 0.326 1
1 982 . 12 1 1 A 82 82 THR N N 82 116.400 114.931 1.469 1
1 983 . 12 1 1 A 83 83 VAL H H 83 7.970 7.786 0.184 1
1 984 . 12 1 1 A 83 83 VAL HA H 83 3.720 3.516 0.204 1
1 992 . 12 1 1 A 83 83 VAL CA C 83 65.900 66.924 -1.024 1
1 993 . 12 1 1 A 83 83 VAL CB C 83 31.400 31.462 -0.062 1
1 996 . 12 1 1 A 83 83 VAL N N 83 123.700 121.268 2.432 1
1 997 . 12 1 1 A 84 84 ARG H H 84 7.300 7.547 -0.247 1
1 998 . 12 1 1 A 84 84 ARG HA H 84 3.740 4.047 -0.307 1
1 1005 . 12 1 1 A 84 84 ARG CA C 84 55.300 55.932 -0.632 1
1 1006 . 12 1 1 A 84 84 ARG CB C 84 29.400 30.172 -0.772 1
1 1009 . 12 1 1 A 84 84 ARG N N 84 115.400 118.369 -2.969 1
1 1010 . 12 1 1 A 85 85 GLY H H 85 7.510 7.489 0.021 1
1 1011 . 12 1 1 A 85 85 GLY HA2 H 85 4.010 3.822 0.188 1
1 1012 . 12 1 1 A 85 85 GLY HA3 H 85 3.830 3.892 -0.062 1
1 1013 . 12 1 1 A 85 85 GLY CA C 85 45.400 45.684 -0.284 1
1 1014 . 12 1 1 A 85 85 GLY N N 85 105.600 107.975 -2.375 1
1 1015 . 12 1 1 A 86 86 TYR H H 86 8.120 8.503 -0.383 1
1 1016 . 12 1 1 A 86 86 TYR HA H 86 4.740 4.495 0.245 1
1 1023 . 12 1 1 A 86 86 TYR CA C 86 55.800 59.203 -3.403 1
1 1024 . 12 1 1 A 86 86 TYR CB C 86 38.000 38.874 -0.874 1
1 1027 . 12 1 1 A 86 86 TYR N N 86 118.700 118.221 0.479 1
1 1028 . 12 1 1 A 87 87 ARG H H 87 7.500 7.745 -0.245 1
1 1029 . 12 1 1 A 87 87 ARG HA H 87 4.710 4.648 0.062 1
1 1037 . 12 1 1 A 87 87 ARG CA C 87 54.100 54.938 -0.838 1
1 1038 . 12 1 1 A 87 87 ARG CB C 87 31.900 32.780 -0.880 1
1 1041 . 12 1 1 A 87 87 ARG N N 87 111.200 116.834 -5.634 1
1 1043 . 12 1 1 A 88 88 GLU H H 88 9.190 8.635 0.555 1
1 1044 . 12 1 1 A 88 88 GLU HA H 88 4.760 4.876 -0.116 1
1 1049 . 12 1 1 A 88 88 GLU CA C 88 54.800 54.896 -0.096 1
1 1050 . 12 1 1 A 88 88 GLU CB C 88 32.500 32.993 -0.493 1
1 1052 . 12 1 1 A 88 88 GLU N N 88 118.800 119.302 -0.502 1
1 1053 . 12 1 1 A 89 89 GLY H H 89 8.580 8.314 0.266 1
1 1054 . 12 1 1 A 89 89 GLY HA2 H 89 3.850 4.015 -0.165 1
1 1055 . 12 1 1 A 89 89 GLY HA3 H 89 4.500 4.015 0.485 1
1 1056 . 12 1 1 A 89 89 GLY CA C 89 43.700 45.371 -1.671 1
1 1057 . 12 1 1 A 89 89 GLY N N 89 107.900 108.964 -1.064 1
1 1058 . 12 1 1 A 90 90 ASP H H 90 8.630 8.409 0.221 1
1 1059 . 12 1 1 A 90 90 ASP HA H 90 4.480 5.241 -0.761 1
1 1062 . 12 1 1 A 90 90 ASP CA C 90 54.600 52.731 1.869 1
1 1063 . 12 1 1 A 90 90 ASP CB C 90 40.500 44.152 -3.652 1
1 1064 . 12 1 1 A 90 90 ASP N N 90 120.700 122.240 -1.540 1
1 1065 . 12 1 1 A 91 91 ASN H H 91 8.930 8.661 0.269 1
1 1066 . 12 1 1 A 91 91 ASN HA H 91 4.580 5.019 -0.439 1
1 1071 . 12 1 1 A 91 91 ASN CA C 91 51.100 51.324 -0.224 1
1 1072 . 12 1 1 A 91 91 ASN CB C 91 39.100 38.122 0.978 1
1 1073 . 12 1 1 A 91 91 ASN N N 91 122.700 118.902 3.798 1
1 1075 . 12 1 1 A 92 92 PRO HA H 92 4.490 4.454 0.036 1
1 1082 . 12 1 1 A 92 92 PRO CA C 92 63.500 63.821 -0.321 1
1 1083 . 12 1 1 A 92 92 PRO CB C 92 32.300 31.894 0.406 1
1 1086 . 12 1 1 A 93 93 ALA H H 93 8.610 8.050 0.560 1
1 1087 . 12 1 1 A 93 93 ALA HA H 93 4.450 4.299 0.151 1
1 1091 . 12 1 1 A 93 93 ALA CA C 93 52.000 51.508 0.492 1
1 1092 . 12 1 1 A 93 93 ALA CB C 93 18.100 19.344 -1.244 1
1 1093 . 12 1 1 A 93 93 ALA N N 93 120.500 119.140 1.360 1
1 1094 . 12 1 1 A 94 94 ARG H H 94 7.280 6.836 0.444 1
1 1095 . 12 1 1 A 94 94 ARG HA H 94 3.830 4.383 -0.553 1
1 1102 . 12 1 1 A 94 94 ARG CA C 94 55.500 56.025 -0.525 1
1 1103 . 12 1 1 A 94 94 ARG CB C 94 30.500 30.363 0.137 1
1 1106 . 12 1 1 A 94 94 ARG N N 94 118.100 117.894 0.206 1
1 1107 . 12 1 1 A 95 95 TRP H H 95 7.310 8.957 -1.647 1
1 1108 . 12 1 1 A 95 95 TRP HA H 95 4.610 5.201 -0.591 1
1 1117 . 12 1 1 A 95 95 TRP CA C 95 55.200 55.802 -0.602 1
1 1118 . 12 1 1 A 95 95 TRP CB C 95 29.500 31.386 -1.886 1
1 1124 . 12 1 1 A 95 95 TRP N N 95 121.200 121.939 -0.739 1
1 1126 . 12 1 1 A 96 96 ARG H H 96 8.380 8.797 -0.417 1
1 1127 . 12 1 1 A 96 96 ARG HA H 96 4.140 4.022 0.118 1
1 1134 . 12 1 1 A 96 96 ARG CA C 96 57.200 57.433 -0.233 1
1 1135 . 12 1 1 A 96 96 ARG CB C 96 29.900 29.802 0.098 1
1 1138 . 12 1 1 A 96 96 ARG N N 96 122.100 123.456 -1.356 1
1 1139 . 12 1 1 A 97 97 GLY H H 97 7.920 7.630 0.290 1
1 1140 . 12 1 1 A 97 97 GLY HA2 H 97 3.710 3.998 -0.288 1
1 1141 . 12 1 1 A 97 97 GLY HA3 H 97 3.630 4.097 -0.467 1
1 1142 . 12 1 1 A 97 97 GLY CA C 97 45.700 45.705 -0.005 1
1 1143 . 12 1 1 A 97 97 GLY N N 97 110.500 107.011 3.489 1
1 1144 . 12 1 1 A 98 98 TYR H H 98 7.770 8.197 -0.427 1
1 1145 . 12 1 1 A 98 98 TYR HA H 98 4.090 4.043 0.047 1
1 1152 . 12 1 1 A 98 98 TYR CA C 98 59.900 60.554 -0.654 1
1 1153 . 12 1 1 A 98 98 TYR CB C 98 37.100 37.228 -0.128 1
1 1156 . 12 1 1 A 98 98 TYR N N 98 120.400 120.747 -0.347 1
1 1157 . 12 1 1 A 99 99 LEU H H 99 7.820 7.085 0.735 1
1 1158 . 12 1 1 A 99 99 LEU HA H 99 3.890 4.181 -0.291 1
1 1168 . 12 1 1 A 99 99 LEU CA C 99 55.600 55.614 -0.014 1
1 1169 . 12 1 1 A 99 99 LEU CB C 99 41.600 43.148 -1.548 1
1 1173 . 12 1 1 A 99 99 LEU N N 99 120.700 119.624 1.076 1
1 1174 . 12 1 1 A 100 100 GLU H H 100 7.680 7.787 -0.107 1
1 1175 . 12 1 1 A 100 100 GLU HA H 100 3.900 4.795 -0.895 1
1 1180 . 12 1 1 A 100 100 GLU CA C 100 56.500 54.902 1.598 1
1 1181 . 12 1 1 A 100 100 GLU CB C 100 29.500 32.848 -3.348 1
1 13 . 13 1 1 A 2 2 THR H H 2 9.230 8.408 0.822 1
1 14 . 13 1 1 A 2 2 THR HA H 2 5.080 4.947 0.133 1
1 19 . 13 1 1 A 2 2 THR CA C 2 61.000 60.305 0.695 1
1 20 . 13 1 1 A 2 2 THR CB C 2 70.800 71.447 -0.647 1
1 22 . 13 1 1 A 2 2 THR N N 2 119.100 116.871 2.229 1
1 23 . 13 1 1 A 3 3 PHE H H 3 9.290 9.552 -0.262 1
1 24 . 13 1 1 A 3 3 PHE HA H 3 3.880 4.130 -0.250 1
1 32 . 13 1 1 A 3 3 PHE CA C 3 63.900 62.324 1.576 1
1 33 . 13 1 1 A 3 3 PHE CB C 3 38.800 39.252 -0.452 1
1 37 . 13 1 1 A 3 3 PHE N N 3 122.600 123.964 -1.364 1
1 38 . 13 1 1 A 4 4 SER H H 4 9.930 8.127 1.803 1
1 39 . 13 1 1 A 4 4 SER HA H 4 4.000 4.156 -0.156 1
1 42 . 13 1 1 A 4 4 SER CA C 4 62.800 61.979 0.821 1
1 43 . 13 1 1 A 4 4 SER CB C 4 62.600 62.717 -0.117 1
1 44 . 13 1 1 A 4 4 SER N N 4 116.300 116.623 -0.323 1
1 45 . 13 1 1 A 5 5 GLU H H 5 7.980 7.367 0.613 1
1 46 . 13 1 1 A 5 5 GLU HA H 5 3.990 4.017 -0.027 1
1 51 . 13 1 1 A 5 5 GLU CA C 5 58.800 58.949 -0.149 1
1 52 . 13 1 1 A 5 5 GLU CB C 5 29.700 29.688 0.012 1
1 54 . 13 1 1 A 5 5 GLU N N 5 122.800 121.333 1.467 1
1 55 . 13 1 1 A 6 6 CYS H H 6 8.430 8.163 0.267 1
1 56 . 13 1 1 A 6 6 CYS HA H 6 4.120 4.048 0.072 1
1 59 . 13 1 1 A 6 6 CYS CA C 6 63.300 61.846 1.454 1
1 60 . 13 1 1 A 6 6 CYS CB C 6 27.100 26.830 0.270 1
1 61 . 13 1 1 A 6 6 CYS N N 6 120.100 119.518 0.582 1
1 62 . 13 1 1 A 7 7 ALA H H 7 8.770 8.066 0.704 1
1 63 . 13 1 1 A 7 7 ALA HA H 7 3.790 3.798 -0.008 1
1 67 . 13 1 1 A 7 7 ALA CA C 7 55.200 54.915 0.285 1
1 68 . 13 1 1 A 7 7 ALA CB C 7 17.400 17.872 -0.472 1
1 69 . 13 1 1 A 7 7 ALA N N 7 120.400 122.332 -1.932 1
1 70 . 13 1 1 A 8 8 ALA H H 8 7.800 7.691 0.109 1
1 71 . 13 1 1 A 8 8 ALA HA H 8 4.130 4.108 0.022 1
1 75 . 13 1 1 A 8 8 ALA CA C 8 55.200 55.052 0.148 1
1 76 . 13 1 1 A 8 8 ALA CB C 8 17.700 18.286 -0.586 1
1 77 . 13 1 1 A 8 8 ALA N N 8 119.200 120.956 -1.756 1
1 78 . 13 1 1 A 9 9 LEU H H 9 8.120 8.136 -0.016 1
1 79 . 13 1 1 A 9 9 LEU HA H 9 4.080 3.964 0.116 1
1 89 . 13 1 1 A 9 9 LEU CA C 9 57.700 57.901 -0.201 1
1 90 . 13 1 1 A 9 9 LEU CB C 9 42.000 42.168 -0.168 1
1 94 . 13 1 1 A 9 9 LEU N N 9 120.300 119.784 0.516 1
1 95 . 13 1 1 A 10 10 TYR H H 10 8.700 8.043 0.657 1
1 96 . 13 1 1 A 10 10 TYR HA H 10 2.330 2.838 -0.508 1
1 103 . 13 1 1 A 10 10 TYR CA C 10 62.000 60.872 1.128 1
1 104 . 13 1 1 A 10 10 TYR CB C 10 38.100 37.976 0.124 1
1 107 . 13 1 1 A 10 10 TYR N N 10 122.900 118.442 4.458 1
1 108 . 13 1 1 A 11 11 ILE H H 11 8.600 8.199 0.401 1
1 109 . 13 1 1 A 11 11 ILE HA H 11 3.270 2.970 0.300 1
1 119 . 13 1 1 A 11 11 ILE CA C 11 65.600 64.804 0.796 1
1 120 . 13 1 1 A 11 11 ILE CB C 11 38.200 37.735 0.465 1
1 124 . 13 1 1 A 11 11 ILE N N 11 123.900 120.972 2.928 1
1 125 . 13 1 1 A 12 12 LYS H H 12 7.910 8.059 -0.149 1
1 126 . 13 1 1 A 12 12 LYS HA H 12 3.870 4.013 -0.143 1
1 135 . 13 1 1 A 12 12 LYS CA C 12 59.900 59.199 0.701 1
1 136 . 13 1 1 A 12 12 LYS CB C 12 32.600 32.130 0.470 1
1 140 . 13 1 1 A 12 12 LYS N N 12 120.600 119.238 1.362 1
1 141 . 13 1 1 A 13 13 ALA H H 13 7.790 7.978 -0.188 1
1 142 . 13 1 1 A 13 13 ALA HA H 13 4.100 4.046 0.054 1
1 146 . 13 1 1 A 13 13 ALA CA C 13 53.200 54.292 -1.092 1
1 147 . 13 1 1 A 13 13 ALA CB C 13 18.200 18.200 0.000 1
1 148 . 13 1 1 A 13 13 ALA N N 13 118.100 120.297 -2.197 1
1 149 . 13 1 1 A 14 14 HIS H H 14 7.160 7.253 -0.093 1
1 150 . 13 1 1 A 14 14 HIS HA H 14 3.990 4.396 -0.406 1
1 155 . 13 1 1 A 14 14 HIS CA C 14 56.500 54.723 1.777 1
1 156 . 13 1 1 A 14 14 HIS CB C 14 27.000 29.353 -2.353 1
1 159 . 13 1 1 A 14 14 HIS N N 14 113.200 115.055 -1.855 1
1 160 . 13 1 1 A 15 15 ARG H H 15 7.420 7.928 -0.508 1
1 161 . 13 1 1 A 15 15 ARG HA H 15 3.760 4.074 -0.314 1
1 168 . 13 1 1 A 15 15 ARG CA C 15 59.800 58.709 1.091 1
1 169 . 13 1 1 A 15 15 ARG CB C 15 29.800 29.832 -0.032 1
1 172 . 13 1 1 A 15 15 ARG N N 15 121.100 119.508 1.592 1
1 173 . 13 1 1 A 16 16 SER H H 16 8.540 7.943 0.597 1
1 174 . 13 1 1 A 16 16 SER HA H 16 4.230 4.182 0.048 1
1 177 . 13 1 1 A 16 16 SER CA C 16 60.800 61.832 -1.032 1
1 178 . 13 1 1 A 16 16 SER CB C 16 62.200 62.889 -0.689 1
1 179 . 13 1 1 A 16 16 SER N N 16 114.100 118.330 -4.230 1
1 180 . 13 1 1 A 17 17 SER H H 17 7.680 7.691 -0.011 1
1 181 . 13 1 1 A 17 17 SER HA H 17 4.370 4.372 -0.002 1
1 184 . 13 1 1 A 17 17 SER CA C 17 59.800 60.917 -1.117 1
1 185 . 13 1 1 A 17 17 SER CB C 17 63.100 63.500 -0.400 1
1 186 . 13 1 1 A 17 17 SER N N 17 116.700 116.823 -0.123 1
1 187 . 13 1 1 A 18 18 TRP H H 18 7.640 7.771 -0.131 1
1 188 . 13 1 1 A 18 18 TRP HA H 18 4.990 4.800 0.190 1
1 197 . 13 1 1 A 18 18 TRP CA C 18 55.200 55.301 -0.101 1
1 198 . 13 1 1 A 18 18 TRP CB C 18 29.500 27.402 2.098 1
1 204 . 13 1 1 A 18 18 TRP N N 18 121.200 120.053 1.147 1
1 206 . 13 1 1 A 19 19 LYS H H 19 7.920 7.674 0.246 1
1 207 . 13 1 1 A 19 19 LYS HA H 19 4.180 4.337 -0.157 1
1 216 . 13 1 1 A 19 19 LYS CA C 19 58.100 56.446 1.654 1
1 217 . 13 1 1 A 19 19 LYS CB C 19 32.200 31.403 0.797 1
1 221 . 13 1 1 A 19 19 LYS N N 19 121.100 121.764 -0.664 1
1 222 . 13 1 1 A 20 20 ASN H H 20 8.630 8.665 -0.035 1
1 223 . 13 1 1 A 20 20 ASN HA H 20 4.760 4.317 0.443 1
1 228 . 13 1 1 A 20 20 ASN CA C 20 53.600 53.952 -0.352 1
1 229 . 13 1 1 A 20 20 ASN CB C 20 38.200 36.962 1.238 1
1 230 . 13 1 1 A 20 20 ASN N N 20 116.500 120.848 -4.348 1
1 232 . 13 1 1 A 21 21 THR H H 21 8.320 7.733 0.587 1
1 233 . 13 1 1 A 21 21 THR HA H 21 4.470 4.694 -0.224 1
1 238 . 13 1 1 A 21 21 THR CA C 21 62.500 60.852 1.648 1
1 239 . 13 1 1 A 21 21 THR CB C 21 70.700 71.450 -0.750 1
1 241 . 13 1 1 A 21 21 THR N N 21 113.700 111.909 1.791 1
1 242 . 13 1 1 A 22 22 LYS H H 22 8.440 9.047 -0.607 1
1 243 . 13 1 1 A 22 22 LYS HA H 22 4.500 3.968 0.532 1
1 252 . 13 1 1 A 22 22 LYS CA C 22 56.700 59.436 -2.736 1
1 253 . 13 1 1 A 22 22 LYS CB C 22 31.700 31.815 -0.115 1
1 257 . 13 1 1 A 22 22 LYS N N 22 120.900 120.099 0.801 1
1 258 . 13 1 1 A 23 23 HIS H H 23 8.110 7.790 0.320 1
1 259 . 13 1 1 A 23 23 HIS HA H 23 4.450 4.376 0.074 1
1 264 . 13 1 1 A 23 23 HIS CA C 23 57.300 59.429 -2.129 1
1 265 . 13 1 1 A 23 23 HIS CB C 23 27.900 29.371 -1.471 1
1 268 . 13 1 1 A 23 23 HIS N N 23 116.800 117.914 -1.114 1
1 269 . 13 1 1 A 24 24 ALA H H 24 8.490 8.174 0.316 1
1 270 . 13 1 1 A 24 24 ALA HA H 24 4.000 3.863 0.137 1
1 274 . 13 1 1 A 24 24 ALA CA C 24 55.700 55.197 0.503 1
1 275 . 13 1 1 A 24 24 ALA CB C 24 18.000 18.186 -0.186 1
1 276 . 13 1 1 A 24 24 ALA N N 24 121.700 122.038 -0.338 1
1 277 . 13 1 1 A 25 25 ASP H H 25 8.370 7.832 0.538 1
1 278 . 13 1 1 A 25 25 ASP HA H 25 4.450 4.366 0.084 1
1 281 . 13 1 1 A 25 25 ASP CA C 25 56.800 57.734 -0.934 1
1 282 . 13 1 1 A 25 25 ASP CB C 25 40.200 41.792 -1.592 1
1 283 . 13 1 1 A 25 25 ASP N N 25 119.100 118.737 0.363 1
1 284 . 13 1 1 A 26 26 GLN H H 26 8.020 8.683 -0.663 1
1 285 . 13 1 1 A 26 26 GLN HA H 26 4.250 4.037 0.213 1
1 292 . 13 1 1 A 26 26 GLN CA C 26 58.600 59.151 -0.551 1
1 293 . 13 1 1 A 26 26 GLN CB C 26 28.500 28.288 0.212 1
1 295 . 13 1 1 A 26 26 GLN N N 26 119.500 117.819 1.681 1
1 297 . 13 1 1 A 27 27 TRP H H 27 8.610 8.450 0.160 1
1 298 . 13 1 1 A 27 27 TRP HA H 27 3.840 4.515 -0.675 1
1 307 . 13 1 1 A 27 27 TRP CA C 27 62.400 59.751 2.649 1
1 308 . 13 1 1 A 27 27 TRP CB C 27 28.300 29.691 -1.391 1
1 314 . 13 1 1 A 27 27 TRP N N 27 122.000 121.175 0.825 1
1 316 . 13 1 1 A 28 28 THR H H 28 8.460 7.888 0.572 1
1 317 . 13 1 1 A 28 28 THR HA H 28 3.790 4.187 -0.397 1
1 322 . 13 1 1 A 28 28 THR CA C 28 67.000 67.099 -0.099 1
1 323 . 13 1 1 A 28 28 THR CB C 28 68.900 68.332 0.568 1
1 325 . 13 1 1 A 28 28 THR N N 28 114.800 114.665 0.135 1
1 326 . 13 1 1 A 29 29 ASN H H 29 8.650 8.771 -0.121 1
1 327 . 13 1 1 A 29 29 ASN HA H 29 4.530 4.422 0.108 1
1 332 . 13 1 1 A 29 29 ASN CA C 29 56.600 56.513 0.087 1
1 333 . 13 1 1 A 29 29 ASN CB C 29 38.400 39.003 -0.603 1
1 334 . 13 1 1 A 29 29 ASN N N 29 118.500 119.428 -0.928 1
1 336 . 13 1 1 A 30 30 THR H H 30 8.170 8.403 -0.233 1
1 337 . 13 1 1 A 30 30 THR HA H 30 4.160 4.050 0.110 1
1 342 . 13 1 1 A 30 30 THR CA C 30 66.100 65.939 0.161 1
1 343 . 13 1 1 A 30 30 THR CB C 30 69.300 68.298 1.002 1
1 345 . 13 1 1 A 30 30 THR N N 30 113.100 113.403 -0.303 1
1 346 . 13 1 1 A 31 31 ILE H H 31 8.030 7.699 0.331 1
1 347 . 13 1 1 A 31 31 ILE HA H 31 3.850 3.714 0.136 1
1 357 . 13 1 1 A 31 31 ILE CA C 31 65.200 65.566 -0.366 1
1 358 . 13 1 1 A 31 31 ILE CB C 31 36.300 37.892 -1.592 1
1 362 . 13 1 1 A 31 31 ILE N N 31 122.000 124.151 -2.151 1
1 363 . 13 1 1 A 32 32 LYS H H 32 8.320 8.118 0.202 1
1 364 . 13 1 1 A 32 32 LYS HA H 32 4.090 4.064 0.026 1
1 373 . 13 1 1 A 32 32 LYS CA C 32 60.500 59.495 1.005 1
1 374 . 13 1 1 A 32 32 LYS CB C 32 32.500 32.111 0.389 1
1 378 . 13 1 1 A 32 32 LYS N N 32 121.300 121.518 -0.218 1
1 379 . 13 1 1 A 33 33 THR H H 33 8.160 7.440 0.720 1
1 380 . 13 1 1 A 33 33 THR HA H 33 3.690 3.936 -0.246 1
1 385 . 13 1 1 A 33 33 THR CA C 33 66.500 66.208 0.292 1
1 386 . 13 1 1 A 33 33 THR CB C 33 69.200 68.958 0.242 1
1 388 . 13 1 1 A 33 33 THR N N 33 113.400 116.117 -2.717 1
1 389 . 13 1 1 A 34 34 TYR H H 34 7.640 8.279 -0.639 1
1 390 . 13 1 1 A 34 34 TYR HA H 34 4.670 4.346 0.324 1
1 397 . 13 1 1 A 34 34 TYR CA C 34 59.800 60.575 -0.775 1
1 398 . 13 1 1 A 34 34 TYR CB C 34 39.800 38.819 0.981 1
1 401 . 13 1 1 A 34 34 TYR N N 34 113.700 119.032 -5.332 1
1 402 . 13 1 1 A 35 35 CYS H H 35 8.170 8.383 -0.213 1
1 403 . 13 1 1 A 35 35 CYS HA H 35 4.470 4.359 0.111 1
1 406 . 13 1 1 A 35 35 CYS CA C 35 60.700 62.025 -1.325 1
1 407 . 13 1 1 A 35 35 CYS CB C 35 27.700 27.703 -0.003 1
1 408 . 13 1 1 A 35 35 CYS N N 35 113.100 118.420 -5.320 1
1 409 . 13 1 1 A 36 36 GLY H H 36 8.110 8.063 0.047 1
1 410 . 13 1 1 A 36 36 GLY HA2 H 36 3.880 3.830 0.050 1
1 411 . 13 1 1 A 36 36 GLY HA3 H 36 4.480 3.876 0.604 1
1 412 . 13 1 1 A 36 36 GLY CA C 36 49.400 48.310 1.090 1
1 413 . 13 1 1 A 36 36 GLY N N 36 110.800 109.714 1.086 1
1 414 . 13 1 1 A 37 37 PRO HA H 37 4.470 4.333 0.137 1
1 421 . 13 1 1 A 37 37 PRO CA C 37 64.400 65.142 -0.742 1
1 422 . 13 1 1 A 37 37 PRO CB C 37 32.700 31.312 1.388 1
1 425 . 13 1 1 A 38 38 VAL H H 38 7.270 7.691 -0.421 1
1 426 . 13 1 1 A 38 38 VAL HA H 38 4.190 3.945 0.245 1
1 434 . 13 1 1 A 38 38 VAL CA C 38 63.600 63.876 -0.276 1
1 435 . 13 1 1 A 38 38 VAL CB C 38 34.800 32.074 2.726 1
1 438 . 13 1 1 A 38 38 VAL N N 38 113.900 115.890 -1.990 1
1 439 . 13 1 1 A 39 39 ILE H H 39 7.590 7.711 -0.121 1
1 440 . 13 1 1 A 39 39 ILE HA H 39 4.590 4.286 0.304 1
1 450 . 13 1 1 A 39 39 ILE CA C 39 60.500 60.795 -0.295 1
1 451 . 13 1 1 A 39 39 ILE CB C 39 39.500 37.941 1.559 1
1 455 . 13 1 1 A 39 39 ILE N N 39 107.400 115.215 -7.815 1
1 456 . 13 1 1 A 40 40 GLY H H 40 7.670 7.865 -0.195 1
1 457 . 13 1 1 A 40 40 GLY HA2 H 40 4.040 3.886 0.154 1
1 458 . 13 1 1 A 40 40 GLY HA3 H 40 4.430 4.018 0.412 1
1 459 . 13 1 1 A 40 40 GLY CA C 40 49.400 48.285 1.115 1
1 460 . 13 1 1 A 40 40 GLY N N 40 109.200 112.493 -3.293 1
1 461 . 13 1 1 A 41 41 PRO HA H 41 4.770 4.476 0.294 1
1 468 . 13 1 1 A 41 41 PRO CA C 41 63.200 64.023 -0.823 1
1 469 . 13 1 1 A 41 41 PRO CB C 41 31.800 31.877 -0.077 1
1 472 . 13 1 1 A 42 42 LEU H H 42 7.540 7.392 0.148 1
1 473 . 13 1 1 A 42 42 LEU HA H 42 4.320 4.422 -0.102 1
1 483 . 13 1 1 A 42 42 LEU CA C 42 54.000 54.129 -0.129 1
1 484 . 13 1 1 A 42 42 LEU CB C 42 42.000 43.466 -1.466 1
1 488 . 13 1 1 A 42 42 LEU N N 42 119.600 120.483 -0.883 1
1 489 . 13 1 1 A 43 43 SER H H 43 8.880 8.601 0.279 1
1 490 . 13 1 1 A 43 43 SER HA H 43 4.510 4.984 -0.474 1
1 493 . 13 1 1 A 43 43 SER CA C 43 58.600 59.785 -1.185 1
1 494 . 13 1 1 A 43 43 SER CB C 43 63.000 63.511 -0.511 1
1 495 . 13 1 1 A 43 43 SER N N 43 116.100 118.203 -2.103 1
1 496 . 13 1 1 A 44 44 VAL H H 44 9.020 8.439 0.581 1
1 497 . 13 1 1 A 44 44 VAL HA H 44 3.920 4.092 -0.172 1
1 505 . 13 1 1 A 44 44 VAL CA C 44 65.900 64.965 0.935 1
1 506 . 13 1 1 A 44 44 VAL CB C 44 32.100 32.011 0.089 1
1 509 . 13 1 1 A 44 44 VAL N N 44 124.400 126.911 -2.511 1
1 510 . 13 1 1 A 45 45 GLN H H 45 8.700 8.027 0.673 1
1 511 . 13 1 1 A 45 45 GLN HA H 45 4.170 4.052 0.118 1
1 518 . 13 1 1 A 45 45 GLN CA C 45 57.400 58.706 -1.306 1
1 519 . 13 1 1 A 45 45 GLN CB C 45 29.000 28.283 0.717 1
1 521 . 13 1 1 A 45 45 GLN N N 45 120.500 121.197 -0.697 1
1 523 . 13 1 1 A 46 46 ASP H H 46 7.870 8.030 -0.160 1
1 524 . 13 1 1 A 46 46 ASP HA H 46 4.720 4.733 -0.013 1
1 527 . 13 1 1 A 46 46 ASP CA C 46 54.400 55.300 -0.900 1
1 528 . 13 1 1 A 46 46 ASP CB C 46 40.800 41.391 -0.591 1
1 529 . 13 1 1 A 46 46 ASP N N 46 117.200 118.583 -1.383 1
1 530 . 13 1 1 A 47 47 VAL H H 47 6.970 6.970 0.000 1
1 531 . 13 1 1 A 47 47 VAL HA H 47 3.490 3.880 -0.390 1
1 539 . 13 1 1 A 47 47 VAL CA C 47 65.200 63.060 2.140 1
1 540 . 13 1 1 A 47 47 VAL CB C 47 31.100 31.772 -0.672 1
1 543 . 13 1 1 A 47 47 VAL N N 47 118.500 121.355 -2.855 1
1 544 . 13 1 1 A 48 48 ASP H H 48 7.220 8.351 -1.131 1
1 545 . 13 1 1 A 48 48 ASP HA H 48 4.910 5.013 -0.103 1
1 548 . 13 1 1 A 48 48 ASP CA C 48 51.600 52.029 -0.429 1
1 549 . 13 1 1 A 48 48 ASP CB C 48 42.700 43.880 -1.180 1
1 550 . 13 1 1 A 48 48 ASP N N 48 128.000 128.335 -0.335 1
1 551 . 13 1 1 A 49 49 THR H H 49 8.490 8.922 -0.432 1
1 552 . 13 1 1 A 49 49 THR HA H 49 3.770 3.747 0.023 1
1 557 . 13 1 1 A 49 49 THR CA C 49 67.300 66.472 0.828 1
1 558 . 13 1 1 A 49 49 THR CB C 49 68.900 68.750 0.150 1
1 560 . 13 1 1 A 49 49 THR N N 49 115.800 118.996 -3.196 1
1 561 . 13 1 1 A 50 50 LYS H H 50 7.860 8.184 -0.324 1
1 562 . 13 1 1 A 50 50 LYS HA H 50 3.860 4.132 -0.272 1
1 571 . 13 1 1 A 50 50 LYS CA C 50 60.000 59.126 0.874 1
1 572 . 13 1 1 A 50 50 LYS CB C 50 31.600 32.215 -0.615 1
1 576 . 13 1 1 A 50 50 LYS N N 50 120.500 121.426 -0.926 1
1 577 . 13 1 1 A 51 51 LEU H H 51 8.190 8.207 -0.017 1
1 578 . 13 1 1 A 51 51 LEU HA H 51 4.050 4.016 0.034 1
1 588 . 13 1 1 A 51 51 LEU CA C 51 57.600 58.163 -0.563 1
1 589 . 13 1 1 A 51 51 LEU CB C 51 42.400 41.511 0.889 1
1 593 . 13 1 1 A 51 51 LEU N N 51 120.600 119.099 1.501 1
1 594 . 13 1 1 A 52 52 ILE H H 52 7.850 8.030 -0.180 1
1 595 . 13 1 1 A 52 52 ILE HA H 52 3.440 3.477 -0.037 1
1 605 . 13 1 1 A 52 52 ILE CA C 52 65.200 64.900 0.300 1
1 606 . 13 1 1 A 52 52 ILE CB C 52 36.700 37.107 -0.407 1
1 610 . 13 1 1 A 52 52 ILE N N 52 118.600 120.334 -1.734 1
1 611 . 13 1 1 A 53 53 MET H H 53 8.540 8.424 0.116 1
1 612 . 13 1 1 A 53 53 MET HA H 53 4.040 4.193 -0.153 1
1 620 . 13 1 1 A 53 53 MET CA C 53 59.000 59.353 -0.353 1
1 621 . 13 1 1 A 53 53 MET CB C 53 31.300 32.632 -1.332 1
1 624 . 13 1 1 A 53 53 MET N N 53 118.600 118.427 0.173 1
1 625 . 13 1 1 A 54 54 LYS H H 54 7.620 7.736 -0.116 1
1 626 . 13 1 1 A 54 54 LYS HA H 54 4.140 4.136 0.004 1
1 635 . 13 1 1 A 54 54 LYS CA C 54 59.200 58.975 0.225 1
1 636 . 13 1 1 A 54 54 LYS CB C 54 32.300 32.583 -0.283 1
1 640 . 13 1 1 A 54 54 LYS N N 54 119.100 119.337 -0.237 1
1 641 . 13 1 1 A 55 55 VAL H H 55 7.560 7.314 0.246 1
1 642 . 13 1 1 A 55 55 VAL HA H 55 3.670 3.582 0.088 1
1 650 . 13 1 1 A 55 55 VAL CA C 55 65.600 66.017 -0.417 1
1 651 . 13 1 1 A 55 55 VAL CB C 55 31.900 31.639 0.261 1
1 654 . 13 1 1 A 55 55 VAL N N 55 117.200 119.660 -2.460 1
1 655 . 13 1 1 A 56 56 LEU H H 56 7.790 8.012 -0.222 1
1 656 . 13 1 1 A 56 56 LEU HA H 56 3.900 3.817 0.083 1
1 666 . 13 1 1 A 56 56 LEU CA C 56 56.400 56.964 -0.564 1
1 667 . 13 1 1 A 56 56 LEU CB C 56 42.700 41.940 0.760 1
1 671 . 13 1 1 A 56 56 LEU N N 56 114.400 118.814 -4.414 1
1 672 . 13 1 1 A 57 57 ASP H H 57 8.850 8.275 0.575 1
1 673 . 13 1 1 A 57 57 ASP HA H 57 4.140 4.641 -0.501 1
1 676 . 13 1 1 A 57 57 ASP CA C 57 59.100 59.417 -0.317 1
1 677 . 13 1 1 A 57 57 ASP CB C 57 38.200 38.514 -0.314 1
1 678 . 13 1 1 A 57 57 ASP N N 57 120.500 121.387 -0.887 1
1 679 . 13 1 1 A 58 58 PRO HA H 58 4.520 4.447 0.073 1
1 686 . 13 1 1 A 58 58 PRO CA C 58 65.300 65.097 0.203 1
1 687 . 13 1 1 A 58 58 PRO CB C 58 31.700 31.239 0.461 1
1 690 . 13 1 1 A 59 59 ILE H H 59 7.400 7.292 0.108 1
1 691 . 13 1 1 A 59 59 ILE HA H 59 4.060 3.816 0.244 1
1 701 . 13 1 1 A 59 59 ILE CA C 59 62.300 63.717 -1.417 1
1 702 . 13 1 1 A 59 59 ILE CB C 59 39.300 36.246 3.054 1
1 706 . 13 1 1 A 59 59 ILE N N 59 113.300 116.316 -3.016 1
1 707 . 13 1 1 A 60 60 TRP H H 60 8.000 7.756 0.244 1
1 708 . 13 1 1 A 60 60 TRP HA H 60 3.830 4.402 -0.572 1
1 717 . 13 1 1 A 60 60 TRP CA C 60 61.300 59.816 1.484 1
1 718 . 13 1 1 A 60 60 TRP CB C 60 29.700 29.400 0.300 1
1 724 . 13 1 1 A 60 60 TRP N N 60 120.900 121.396 -0.496 1
1 726 . 13 1 1 A 61 61 GLU H H 61 7.840 8.155 -0.315 1
1 727 . 13 1 1 A 61 61 GLU HA H 61 4.110 4.259 -0.149 1
1 732 . 13 1 1 A 61 61 GLU CA C 61 58.100 58.939 -0.839 1
1 733 . 13 1 1 A 61 61 GLU CB C 61 29.500 29.647 -0.147 1
1 735 . 13 1 1 A 61 61 GLU N N 61 112.300 120.392 -8.092 1
1 736 . 13 1 1 A 62 62 GLN H H 62 7.710 7.357 0.353 1
1 737 . 13 1 1 A 62 62 GLN HA H 62 4.400 4.327 0.073 1
1 744 . 13 1 1 A 62 62 GLN CA C 62 57.200 57.622 -0.422 1
1 745 . 13 1 1 A 62 62 GLN CB C 62 30.800 29.775 1.025 1
1 747 . 13 1 1 A 62 62 GLN N N 62 115.200 118.103 -2.903 1
1 749 . 13 1 1 A 63 63 LYS H H 63 8.500 8.269 0.231 1
1 750 . 13 1 1 A 63 63 LYS HA H 63 4.860 4.776 0.084 1
1 759 . 13 1 1 A 63 63 LYS CA C 63 53.300 53.665 -0.365 1
1 760 . 13 1 1 A 63 63 LYS CB C 63 33.800 32.898 0.902 1
1 764 . 13 1 1 A 63 63 LYS N N 63 117.800 118.513 -0.713 1
1 765 . 13 1 1 A 64 64 PRO HA H 64 4.110 4.442 -0.332 1
1 772 . 13 1 1 A 64 64 PRO CA C 64 66.000 65.856 0.144 1
1 773 . 13 1 1 A 64 64 PRO CB C 64 31.500 31.850 -0.350 1
1 776 . 13 1 1 A 65 65 GLU H H 65 8.680 8.773 -0.093 1
1 777 . 13 1 1 A 65 65 GLU HA H 65 4.120 4.103 0.017 1
1 782 . 13 1 1 A 65 65 GLU CA C 65 59.300 59.568 -0.268 1
1 783 . 13 1 1 A 65 65 GLU CB C 65 28.500 29.243 -0.743 1
1 785 . 13 1 1 A 65 65 GLU N N 65 117.800 119.070 -1.270 1
1 786 . 13 1 1 A 66 66 THR H H 66 7.370 8.009 -0.639 1
1 787 . 13 1 1 A 66 66 THR HA H 66 3.820 3.746 0.074 1
1 792 . 13 1 1 A 66 66 THR CA C 66 66.200 66.453 -0.253 1
1 793 . 13 1 1 A 66 66 THR CB C 66 68.200 68.260 -0.060 1
1 795 . 13 1 1 A 66 66 THR N N 66 117.800 117.527 0.273 1
1 796 . 13 1 1 A 67 67 ALA H H 67 7.890 7.981 -0.091 1
1 797 . 13 1 1 A 67 67 ALA HA H 67 3.380 3.561 -0.181 1
1 801 . 13 1 1 A 67 67 ALA CA C 67 55.200 54.893 0.307 1
1 802 . 13 1 1 A 67 67 ALA CB C 67 17.400 17.119 0.281 1
1 803 . 13 1 1 A 67 67 ALA N N 67 123.900 124.116 -0.216 1
1 804 . 13 1 1 A 68 68 SER H H 68 7.920 7.405 0.515 1
1 805 . 13 1 1 A 68 68 SER HA H 68 4.070 4.171 -0.101 1
1 808 . 13 1 1 A 68 68 SER CA C 68 61.200 61.238 -0.038 1
1 809 . 13 1 1 A 68 68 SER CB C 68 62.700 63.108 -0.408 1
1 810 . 13 1 1 A 68 68 SER N N 68 111.500 113.135 -1.635 1
1 811 . 13 1 1 A 69 69 ARG H H 69 7.840 7.532 0.308 1
1 812 . 13 1 1 A 69 69 ARG HA H 69 4.010 4.042 -0.032 1
1 819 . 13 1 1 A 69 69 ARG CA C 69 58.700 58.674 0.026 1
1 820 . 13 1 1 A 69 69 ARG CB C 69 30.000 29.378 0.622 1
1 823 . 13 1 1 A 69 69 ARG N N 69 121.200 121.840 -0.640 1
1 824 . 13 1 1 A 70 70 LEU H H 70 8.490 8.306 0.184 1
1 825 . 13 1 1 A 70 70 LEU HA H 70 3.740 3.958 -0.218 1
1 835 . 13 1 1 A 70 70 LEU CA C 70 57.500 57.467 0.033 1
1 836 . 13 1 1 A 70 70 LEU CB C 70 41.100 41.600 -0.500 1
1 840 . 13 1 1 A 70 70 LEU N N 70 121.100 121.653 -0.553 1
1 841 . 13 1 1 A 71 71 ARG H H 71 8.460 7.736 0.724 1
1 842 . 13 1 1 A 71 71 ARG HA H 71 3.540 4.074 -0.534 1
1 850 . 13 1 1 A 71 71 ARG CA C 71 60.700 59.139 1.561 1
1 851 . 13 1 1 A 71 71 ARG CB C 71 28.000 30.014 -2.014 1
1 854 . 13 1 1 A 71 71 ARG N N 71 119.800 119.428 0.372 1
1 856 . 13 1 1 A 72 72 GLY H H 72 7.530 8.377 -0.847 1
1 857 . 13 1 1 A 72 72 GLY HA2 H 72 3.980 3.738 0.242 1
1 858 . 13 1 1 A 72 72 GLY HA3 H 72 3.870 3.764 0.106 1
1 859 . 13 1 1 A 72 72 GLY CA C 72 47.100 47.400 -0.300 1
1 860 . 13 1 1 A 72 72 GLY N N 72 103.400 108.216 -4.816 1
1 861 . 13 1 1 A 73 73 ARG H H 73 7.800 7.683 0.117 1
1 862 . 13 1 1 A 73 73 ARG HA H 73 3.930 4.049 -0.119 1
1 869 . 13 1 1 A 73 73 ARG CA C 73 59.400 59.327 0.073 1
1 870 . 13 1 1 A 73 73 ARG CB C 73 29.500 30.091 -0.591 1
1 873 . 13 1 1 A 73 73 ARG N N 73 122.800 121.671 1.129 1
1 874 . 13 1 1 A 74 74 ILE H H 74 8.420 7.937 0.483 1
1 875 . 13 1 1 A 74 74 ILE HA H 74 3.440 3.825 -0.385 1
1 885 . 13 1 1 A 74 74 ILE CA C 74 66.500 65.706 0.794 1
1 886 . 13 1 1 A 74 74 ILE CB C 74 38.300 37.704 0.596 1
1 890 . 13 1 1 A 74 74 ILE N N 74 118.800 120.874 -2.074 1
1 891 . 13 1 1 A 75 75 GLU H H 75 8.620 8.761 -0.141 1
1 892 . 13 1 1 A 75 75 GLU HA H 75 3.840 3.973 -0.133 1
1 897 . 13 1 1 A 75 75 GLU CA C 75 59.900 59.969 -0.069 1
1 898 . 13 1 1 A 75 75 GLU CB C 75 29.400 29.741 -0.341 1
1 900 . 13 1 1 A 75 75 GLU N N 75 119.200 121.315 -2.115 1
1 901 . 13 1 1 A 76 76 SER H H 76 8.380 7.952 0.428 1
1 902 . 13 1 1 A 76 76 SER HA H 76 4.460 4.170 0.290 1
1 905 . 13 1 1 A 76 76 SER CA C 76 62.900 62.603 0.297 1
1 906 . 13 1 1 A 76 76 SER CB C 76 63.000 63.031 -0.031 1
1 907 . 13 1 1 A 76 76 SER N N 76 116.000 117.039 -1.039 1
1 908 . 13 1 1 A 77 77 VAL H H 77 8.190 7.745 0.445 1
1 909 . 13 1 1 A 77 77 VAL HA H 77 3.290 3.082 0.208 1
1 917 . 13 1 1 A 77 77 VAL CA C 77 66.800 66.642 0.158 1
1 918 . 13 1 1 A 77 77 VAL CB C 77 31.400 31.299 0.101 1
1 921 . 13 1 1 A 77 77 VAL N N 77 122.800 121.767 1.033 1
1 922 . 13 1 1 A 78 78 LEU H H 78 8.590 8.501 0.089 1
1 923 . 13 1 1 A 78 78 LEU HA H 78 4.270 4.075 0.195 1
1 933 . 13 1 1 A 78 78 LEU CA C 78 57.800 58.286 -0.486 1
1 934 . 13 1 1 A 78 78 LEU CB C 78 40.900 40.649 0.251 1
1 938 . 13 1 1 A 78 78 LEU N N 78 116.900 119.753 -2.853 1
1 939 . 13 1 1 A 79 79 ASP H H 79 8.790 8.211 0.579 1
1 940 . 13 1 1 A 79 79 ASP HA H 79 4.730 4.362 0.368 1
1 943 . 13 1 1 A 79 79 ASP CA C 79 57.900 57.406 0.494 1
1 944 . 13 1 1 A 79 79 ASP CB C 79 40.400 41.270 -0.870 1
1 945 . 13 1 1 A 79 79 ASP N N 79 123.800 119.224 4.576 1
1 946 . 13 1 1 A 80 80 TRP H H 80 8.210 8.001 0.209 1
1 947 . 13 1 1 A 80 80 TRP HA H 80 4.380 4.328 0.052 1
1 956 . 13 1 1 A 80 80 TRP CA C 80 61.600 61.429 0.171 1
1 957 . 13 1 1 A 80 80 TRP CB C 80 29.100 29.397 -0.297 1
1 963 . 13 1 1 A 80 80 TRP N N 80 123.700 121.849 1.851 1
1 965 . 13 1 1 A 81 81 ALA H H 81 8.980 8.598 0.382 1
1 966 . 13 1 1 A 81 81 ALA HA H 81 3.850 4.132 -0.282 1
1 970 . 13 1 1 A 81 81 ALA CA C 81 54.500 55.307 -0.807 1
1 971 . 13 1 1 A 81 81 ALA CB C 81 19.600 18.186 1.414 1
1 972 . 13 1 1 A 81 81 ALA N N 81 118.400 121.352 -2.952 1
1 973 . 13 1 1 A 82 82 THR H H 82 7.990 7.974 0.016 1
1 974 . 13 1 1 A 82 82 THR HA H 82 4.310 4.986 -0.676 1
1 979 . 13 1 1 A 82 82 THR CA C 82 65.800 66.763 -0.963 1
1 980 . 13 1 1 A 82 82 THR CB C 82 68.800 67.920 0.880 1
1 982 . 13 1 1 A 82 82 THR N N 82 116.400 115.034 1.366 1
1 983 . 13 1 1 A 83 83 VAL H H 83 7.970 7.837 0.133 1
1 984 . 13 1 1 A 83 83 VAL HA H 83 3.720 3.454 0.266 1
1 992 . 13 1 1 A 83 83 VAL CA C 83 65.900 66.866 -0.966 1
1 993 . 13 1 1 A 83 83 VAL CB C 83 31.400 31.336 0.064 1
1 996 . 13 1 1 A 83 83 VAL N N 83 123.700 121.334 2.366 1
1 997 . 13 1 1 A 84 84 ARG H H 84 7.300 7.340 -0.040 1
1 998 . 13 1 1 A 84 84 ARG HA H 84 3.740 4.001 -0.261 1
1 1005 . 13 1 1 A 84 84 ARG CA C 84 55.300 55.398 -0.098 1
1 1006 . 13 1 1 A 84 84 ARG CB C 84 29.400 29.909 -0.509 1
1 1009 . 13 1 1 A 84 84 ARG N N 84 115.400 118.503 -3.103 1
1 1010 . 13 1 1 A 85 85 GLY H H 85 7.510 7.233 0.277 1
1 1011 . 13 1 1 A 85 85 GLY HA2 H 85 4.010 3.773 0.237 1
1 1012 . 13 1 1 A 85 85 GLY HA3 H 85 3.830 3.853 -0.023 1
1 1013 . 13 1 1 A 85 85 GLY CA C 85 45.400 45.377 0.023 1
1 1014 . 13 1 1 A 85 85 GLY N N 85 105.600 107.547 -1.947 1
1 1015 . 13 1 1 A 86 86 TYR H H 86 8.120 7.792 0.328 1
1 1016 . 13 1 1 A 86 86 TYR HA H 86 4.740 4.349 0.391 1
1 1023 . 13 1 1 A 86 86 TYR CA C 86 55.800 60.110 -4.310 1
1 1024 . 13 1 1 A 86 86 TYR CB C 86 38.000 38.463 -0.463 1
1 1027 . 13 1 1 A 86 86 TYR N N 86 118.700 119.275 -0.575 1
1 1028 . 13 1 1 A 87 87 ARG H H 87 7.500 7.302 0.198 1
1 1029 . 13 1 1 A 87 87 ARG HA H 87 4.710 4.761 -0.051 1
1 1037 . 13 1 1 A 87 87 ARG CA C 87 54.100 54.961 -0.861 1
1 1038 . 13 1 1 A 87 87 ARG CB C 87 31.900 33.884 -1.984 1
1 1041 . 13 1 1 A 87 87 ARG N N 87 111.200 115.890 -4.690 1
1 1043 . 13 1 1 A 88 88 GLU H H 88 9.190 8.758 0.432 1
1 1044 . 13 1 1 A 88 88 GLU HA H 88 4.760 4.887 -0.127 1
1 1049 . 13 1 1 A 88 88 GLU CA C 88 54.800 54.987 -0.187 1
1 1050 . 13 1 1 A 88 88 GLU CB C 88 32.500 33.243 -0.743 1
1 1052 . 13 1 1 A 88 88 GLU N N 88 118.800 119.862 -1.062 1
1 1053 . 13 1 1 A 89 89 GLY H H 89 8.580 8.294 0.286 1
1 1054 . 13 1 1 A 89 89 GLY HA2 H 89 3.850 4.070 -0.220 1
1 1055 . 13 1 1 A 89 89 GLY HA3 H 89 4.500 4.071 0.429 1
1 1056 . 13 1 1 A 89 89 GLY CA C 89 43.700 45.569 -1.869 1
1 1057 . 13 1 1 A 89 89 GLY N N 89 107.900 108.683 -0.783 1
1 1058 . 13 1 1 A 90 90 ASP H H 90 8.630 8.543 0.087 1
1 1059 . 13 1 1 A 90 90 ASP HA H 90 4.480 5.351 -0.871 1
1 1062 . 13 1 1 A 90 90 ASP CA C 90 54.600 52.975 1.625 1
1 1063 . 13 1 1 A 90 90 ASP CB C 90 40.500 44.804 -4.304 1
1 1064 . 13 1 1 A 90 90 ASP N N 90 120.700 123.687 -2.987 1
1 1065 . 13 1 1 A 91 91 ASN H H 91 8.930 8.839 0.091 1
1 1066 . 13 1 1 A 91 91 ASN HA H 91 4.580 4.959 -0.379 1
1 1071 . 13 1 1 A 91 91 ASN CA C 91 51.100 51.599 -0.499 1
1 1072 . 13 1 1 A 91 91 ASN CB C 91 39.100 37.840 1.260 1
1 1073 . 13 1 1 A 91 91 ASN N N 91 122.700 120.056 2.644 1
1 1075 . 13 1 1 A 92 92 PRO HA H 92 4.490 4.389 0.101 1
1 1082 . 13 1 1 A 92 92 PRO CA C 92 63.500 63.791 -0.291 1
1 1083 . 13 1 1 A 92 92 PRO CB C 92 32.300 32.883 -0.583 1
1 1086 . 13 1 1 A 93 93 ALA H H 93 8.610 7.974 0.636 1
1 1087 . 13 1 1 A 93 93 ALA HA H 93 4.450 4.087 0.363 1
1 1091 . 13 1 1 A 93 93 ALA CA C 93 52.000 52.293 -0.293 1
1 1092 . 13 1 1 A 93 93 ALA CB C 93 18.100 19.284 -1.184 1
1 1093 . 13 1 1 A 93 93 ALA N N 93 120.500 119.096 1.404 1
1 1094 . 13 1 1 A 94 94 ARG H H 94 7.280 7.322 -0.042 1
1 1095 . 13 1 1 A 94 94 ARG HA H 94 3.830 4.833 -1.003 1
1 1102 . 13 1 1 A 94 94 ARG CA C 94 55.500 55.353 0.147 1
1 1103 . 13 1 1 A 94 94 ARG CB C 94 30.500 31.770 -1.270 1
1 1106 . 13 1 1 A 94 94 ARG N N 94 118.100 116.545 1.555 1
1 1107 . 13 1 1 A 95 95 TRP H H 95 7.310 8.787 -1.477 1
1 1108 . 13 1 1 A 95 95 TRP HA H 95 4.610 5.186 -0.576 1
1 1117 . 13 1 1 A 95 95 TRP CA C 95 55.200 55.805 -0.605 1
1 1118 . 13 1 1 A 95 95 TRP CB C 95 29.500 34.165 -4.665 1
1 1124 . 13 1 1 A 95 95 TRP N N 95 121.200 120.200 1.000 1
1 1126 . 13 1 1 A 96 96 ARG H H 96 8.380 9.065 -0.685 1
1 1127 . 13 1 1 A 96 96 ARG HA H 96 4.140 4.549 -0.409 1
1 1134 . 13 1 1 A 96 96 ARG CA C 96 57.200 57.648 -0.448 1
1 1135 . 13 1 1 A 96 96 ARG CB C 96 29.900 31.558 -1.658 1
1 1138 . 13 1 1 A 96 96 ARG N N 96 122.100 122.542 -0.442 1
1 1139 . 13 1 1 A 97 97 GLY H H 97 7.920 7.831 0.089 1
1 1140 . 13 1 1 A 97 97 GLY HA2 H 97 3.710 4.211 -0.501 1
1 1141 . 13 1 1 A 97 97 GLY HA3 H 97 3.630 4.264 -0.634 1
1 1142 . 13 1 1 A 97 97 GLY CA C 97 45.700 45.834 -0.134 1
1 1143 . 13 1 1 A 97 97 GLY N N 97 110.500 105.074 5.426 1
1 1144 . 13 1 1 A 98 98 TYR H H 98 7.770 8.034 -0.264 1
1 1145 . 13 1 1 A 98 98 TYR HA H 98 4.090 3.817 0.273 1
1 1152 . 13 1 1 A 98 98 TYR CA C 98 59.900 60.925 -1.025 1
1 1153 . 13 1 1 A 98 98 TYR CB C 98 37.100 38.465 -1.365 1
1 1156 . 13 1 1 A 98 98 TYR N N 98 120.400 121.049 -0.649 1
1 1157 . 13 1 1 A 99 99 LEU H H 99 7.820 7.601 0.219 1
1 1158 . 13 1 1 A 99 99 LEU HA H 99 3.890 3.934 -0.044 1
1 1168 . 13 1 1 A 99 99 LEU CA C 99 55.600 56.348 -0.748 1
1 1169 . 13 1 1 A 99 99 LEU CB C 99 41.600 42.485 -0.885 1
1 1173 . 13 1 1 A 99 99 LEU N N 99 120.700 119.782 0.918 1
1 1174 . 13 1 1 A 100 100 GLU H H 100 7.680 7.653 0.027 1
1 1175 . 13 1 1 A 100 100 GLU HA H 100 3.900 4.570 -0.670 1
1 1180 . 13 1 1 A 100 100 GLU CA C 100 56.500 55.998 0.502 1
1 1181 . 13 1 1 A 100 100 GLU CB C 100 29.500 33.289 -3.789 1
1 13 . 14 1 1 A 2 2 THR H H 2 9.230 8.791 0.439 1
1 14 . 14 1 1 A 2 2 THR HA H 2 5.080 5.124 -0.044 1
1 19 . 14 1 1 A 2 2 THR CA C 2 61.000 60.833 0.167 1
1 20 . 14 1 1 A 2 2 THR CB C 2 70.800 71.139 -0.339 1
1 22 . 14 1 1 A 2 2 THR N N 2 119.100 116.136 2.964 1
1 23 . 14 1 1 A 3 3 PHE H H 3 9.290 9.504 -0.214 1
1 24 . 14 1 1 A 3 3 PHE HA H 3 3.880 4.140 -0.260 1
1 32 . 14 1 1 A 3 3 PHE CA C 3 63.900 62.294 1.606 1
1 33 . 14 1 1 A 3 3 PHE CB C 3 38.800 39.346 -0.546 1
1 37 . 14 1 1 A 3 3 PHE N N 3 122.600 123.703 -1.103 1
1 38 . 14 1 1 A 4 4 SER H H 4 9.930 8.226 1.704 1
1 39 . 14 1 1 A 4 4 SER HA H 4 4.000 4.176 -0.176 1
1 42 . 14 1 1 A 4 4 SER CA C 4 62.800 61.647 1.153 1
1 43 . 14 1 1 A 4 4 SER CB C 4 62.600 62.764 -0.164 1
1 44 . 14 1 1 A 4 4 SER N N 4 116.300 116.223 0.077 1
1 45 . 14 1 1 A 5 5 GLU H H 5 7.980 7.373 0.607 1
1 46 . 14 1 1 A 5 5 GLU HA H 5 3.990 4.048 -0.058 1
1 51 . 14 1 1 A 5 5 GLU CA C 5 58.800 58.964 -0.164 1
1 52 . 14 1 1 A 5 5 GLU CB C 5 29.700 30.001 -0.301 1
1 54 . 14 1 1 A 5 5 GLU N N 5 122.800 121.280 1.520 1
1 55 . 14 1 1 A 6 6 CYS H H 6 8.430 8.107 0.323 1
1 56 . 14 1 1 A 6 6 CYS HA H 6 4.120 4.142 -0.022 1
1 59 . 14 1 1 A 6 6 CYS CA C 6 63.300 61.773 1.527 1
1 60 . 14 1 1 A 6 6 CYS CB C 6 27.100 27.075 0.025 1
1 61 . 14 1 1 A 6 6 CYS N N 6 120.100 119.479 0.621 1
1 62 . 14 1 1 A 7 7 ALA H H 7 8.770 8.097 0.673 1
1 63 . 14 1 1 A 7 7 ALA HA H 7 3.790 3.817 -0.027 1
1 67 . 14 1 1 A 7 7 ALA CA C 7 55.200 54.916 0.284 1
1 68 . 14 1 1 A 7 7 ALA CB C 7 17.400 17.915 -0.515 1
1 69 . 14 1 1 A 7 7 ALA N N 7 120.400 122.300 -1.900 1
1 70 . 14 1 1 A 8 8 ALA H H 8 7.800 7.711 0.089 1
1 71 . 14 1 1 A 8 8 ALA HA H 8 4.130 4.154 -0.024 1
1 75 . 14 1 1 A 8 8 ALA CA C 8 55.200 54.740 0.460 1
1 76 . 14 1 1 A 8 8 ALA CB C 8 17.700 17.891 -0.191 1
1 77 . 14 1 1 A 8 8 ALA N N 8 119.200 120.379 -1.179 1
1 78 . 14 1 1 A 9 9 LEU H H 9 8.120 8.309 -0.189 1
1 79 . 14 1 1 A 9 9 LEU HA H 9 4.080 3.913 0.167 1
1 89 . 14 1 1 A 9 9 LEU CA C 9 57.700 57.713 -0.013 1
1 90 . 14 1 1 A 9 9 LEU CB C 9 42.000 41.828 0.172 1
1 94 . 14 1 1 A 9 9 LEU N N 9 120.300 118.983 1.317 1
1 95 . 14 1 1 A 10 10 TYR H H 10 8.700 8.155 0.545 1
1 96 . 14 1 1 A 10 10 TYR HA H 10 2.330 3.018 -0.688 1
1 103 . 14 1 1 A 10 10 TYR CA C 10 62.000 61.035 0.965 1
1 104 . 14 1 1 A 10 10 TYR CB C 10 38.100 38.187 -0.087 1
1 107 . 14 1 1 A 10 10 TYR N N 10 122.900 118.833 4.067 1
1 108 . 14 1 1 A 11 11 ILE H H 11 8.600 7.864 0.736 1
1 109 . 14 1 1 A 11 11 ILE HA H 11 3.270 3.052 0.218 1
1 119 . 14 1 1 A 11 11 ILE CA C 11 65.600 64.621 0.979 1
1 120 . 14 1 1 A 11 11 ILE CB C 11 38.200 37.363 0.837 1
1 124 . 14 1 1 A 11 11 ILE N N 11 123.900 120.501 3.399 1
1 125 . 14 1 1 A 12 12 LYS H H 12 7.910 8.409 -0.499 1
1 126 . 14 1 1 A 12 12 LYS HA H 12 3.870 3.831 0.039 1
1 135 . 14 1 1 A 12 12 LYS CA C 12 59.900 59.757 0.143 1
1 136 . 14 1 1 A 12 12 LYS CB C 12 32.600 32.124 0.476 1
1 140 . 14 1 1 A 12 12 LYS N N 12 120.600 119.197 1.403 1
1 141 . 14 1 1 A 13 13 ALA H H 13 7.790 8.043 -0.253 1
1 142 . 14 1 1 A 13 13 ALA HA H 13 4.100 3.923 0.177 1
1 146 . 14 1 1 A 13 13 ALA CA C 13 53.200 53.849 -0.649 1
1 147 . 14 1 1 A 13 13 ALA CB C 13 18.200 18.110 0.090 1
1 148 . 14 1 1 A 13 13 ALA N N 13 118.100 120.713 -2.613 1
1 149 . 14 1 1 A 14 14 HIS H H 14 7.160 7.209 -0.049 1
1 150 . 14 1 1 A 14 14 HIS HA H 14 3.990 4.367 -0.377 1
1 155 . 14 1 1 A 14 14 HIS CA C 14 56.500 54.923 1.577 1
1 156 . 14 1 1 A 14 14 HIS CB C 14 27.000 29.426 -2.426 1
1 159 . 14 1 1 A 14 14 HIS N N 14 113.200 115.575 -2.375 1
1 160 . 14 1 1 A 15 15 ARG H H 15 7.420 7.750 -0.330 1
1 161 . 14 1 1 A 15 15 ARG HA H 15 3.760 3.943 -0.183 1
1 168 . 14 1 1 A 15 15 ARG CA C 15 59.800 57.840 1.960 1
1 169 . 14 1 1 A 15 15 ARG CB C 15 29.800 28.892 0.908 1
1 172 . 14 1 1 A 15 15 ARG N N 15 121.100 119.649 1.451 1
1 173 . 14 1 1 A 16 16 SER H H 16 8.540 7.696 0.844 1
1 174 . 14 1 1 A 16 16 SER HA H 16 4.230 4.366 -0.136 1
1 177 . 14 1 1 A 16 16 SER CA C 16 60.800 60.876 -0.076 1
1 178 . 14 1 1 A 16 16 SER CB C 16 62.200 63.097 -0.897 1
1 179 . 14 1 1 A 16 16 SER N N 16 114.100 116.455 -2.355 1
1 180 . 14 1 1 A 17 17 SER H H 17 7.680 7.881 -0.201 1
1 181 . 14 1 1 A 17 17 SER HA H 17 4.370 4.400 -0.030 1
1 184 . 14 1 1 A 17 17 SER CA C 17 59.800 60.661 -0.861 1
1 185 . 14 1 1 A 17 17 SER CB C 17 63.100 63.557 -0.457 1
1 186 . 14 1 1 A 17 17 SER N N 17 116.700 114.542 2.158 1
1 187 . 14 1 1 A 18 18 TRP H H 18 7.640 7.652 -0.012 1
1 188 . 14 1 1 A 18 18 TRP HA H 18 4.990 4.928 0.062 1
1 197 . 14 1 1 A 18 18 TRP CA C 18 55.200 55.235 -0.035 1
1 198 . 14 1 1 A 18 18 TRP CB C 18 29.500 28.709 0.791 1
1 204 . 14 1 1 A 18 18 TRP N N 18 121.200 120.936 0.264 1
1 206 . 14 1 1 A 19 19 LYS H H 19 7.920 8.340 -0.420 1
1 207 . 14 1 1 A 19 19 LYS HA H 19 4.180 4.347 -0.167 1
1 216 . 14 1 1 A 19 19 LYS CA C 19 58.100 56.361 1.739 1
1 217 . 14 1 1 A 19 19 LYS CB C 19 32.200 31.277 0.923 1
1 221 . 14 1 1 A 19 19 LYS N N 19 121.100 124.514 -3.414 1
1 222 . 14 1 1 A 20 20 ASN H H 20 8.630 8.692 -0.062 1
1 223 . 14 1 1 A 20 20 ASN HA H 20 4.760 4.432 0.328 1
1 228 . 14 1 1 A 20 20 ASN CA C 20 53.600 53.999 -0.399 1
1 229 . 14 1 1 A 20 20 ASN CB C 20 38.200 36.979 1.221 1
1 230 . 14 1 1 A 20 20 ASN N N 20 116.500 120.171 -3.671 1
1 232 . 14 1 1 A 21 21 THR H H 21 8.320 7.837 0.483 1
1 233 . 14 1 1 A 21 21 THR HA H 21 4.470 4.714 -0.244 1
1 238 . 14 1 1 A 21 21 THR CA C 21 62.500 61.019 1.481 1
1 239 . 14 1 1 A 21 21 THR CB C 21 70.700 70.834 -0.134 1
1 241 . 14 1 1 A 21 21 THR N N 21 113.700 112.992 0.708 1
1 242 . 14 1 1 A 22 22 LYS H H 22 8.440 8.948 -0.508 1
1 243 . 14 1 1 A 22 22 LYS HA H 22 4.500 4.115 0.385 1
1 252 . 14 1 1 A 22 22 LYS CA C 22 56.700 58.342 -1.642 1
1 253 . 14 1 1 A 22 22 LYS CB C 22 31.700 31.941 -0.241 1
1 257 . 14 1 1 A 22 22 LYS N N 22 120.900 119.165 1.735 1
1 258 . 14 1 1 A 23 23 HIS H H 23 8.110 8.152 -0.042 1
1 259 . 14 1 1 A 23 23 HIS HA H 23 4.450 4.455 -0.005 1
1 264 . 14 1 1 A 23 23 HIS CA C 23 57.300 59.268 -1.968 1
1 265 . 14 1 1 A 23 23 HIS CB C 23 27.900 29.549 -1.649 1
1 268 . 14 1 1 A 23 23 HIS N N 23 116.800 117.778 -0.978 1
1 269 . 14 1 1 A 24 24 ALA H H 24 8.490 8.121 0.369 1
1 270 . 14 1 1 A 24 24 ALA HA H 24 4.000 4.240 -0.240 1
1 274 . 14 1 1 A 24 24 ALA CA C 24 55.700 55.189 0.511 1
1 275 . 14 1 1 A 24 24 ALA CB C 24 18.000 18.123 -0.123 1
1 276 . 14 1 1 A 24 24 ALA N N 24 121.700 122.475 -0.775 1
1 277 . 14 1 1 A 25 25 ASP H H 25 8.370 8.295 0.075 1
1 278 . 14 1 1 A 25 25 ASP HA H 25 4.450 4.422 0.028 1
1 281 . 14 1 1 A 25 25 ASP CA C 25 56.800 57.650 -0.850 1
1 282 . 14 1 1 A 25 25 ASP CB C 25 40.200 41.306 -1.106 1
1 283 . 14 1 1 A 25 25 ASP N N 25 119.100 118.674 0.426 1
1 284 . 14 1 1 A 26 26 GLN H H 26 8.020 8.474 -0.454 1
1 285 . 14 1 1 A 26 26 GLN HA H 26 4.250 4.031 0.219 1
1 292 . 14 1 1 A 26 26 GLN CA C 26 58.600 59.237 -0.637 1
1 293 . 14 1 1 A 26 26 GLN CB C 26 28.500 28.243 0.257 1
1 295 . 14 1 1 A 26 26 GLN N N 26 119.500 117.551 1.949 1
1 297 . 14 1 1 A 27 27 TRP H H 27 8.610 8.238 0.372 1
1 298 . 14 1 1 A 27 27 TRP HA H 27 3.840 4.523 -0.683 1
1 307 . 14 1 1 A 27 27 TRP CA C 27 62.400 59.918 2.482 1
1 308 . 14 1 1 A 27 27 TRP CB C 27 28.300 29.154 -0.854 1
1 314 . 14 1 1 A 27 27 TRP N N 27 122.000 121.558 0.442 1
1 316 . 14 1 1 A 28 28 THR H H 28 8.460 8.476 -0.016 1
1 317 . 14 1 1 A 28 28 THR HA H 28 3.790 4.195 -0.405 1
1 322 . 14 1 1 A 28 28 THR CA C 28 67.000 67.107 -0.107 1
1 323 . 14 1 1 A 28 28 THR CB C 28 68.900 68.515 0.385 1
1 325 . 14 1 1 A 28 28 THR N N 28 114.800 115.190 -0.390 1
1 326 . 14 1 1 A 29 29 ASN H H 29 8.650 9.111 -0.461 1
1 327 . 14 1 1 A 29 29 ASN HA H 29 4.530 4.407 0.123 1
1 332 . 14 1 1 A 29 29 ASN CA C 29 56.600 56.471 0.129 1
1 333 . 14 1 1 A 29 29 ASN CB C 29 38.400 39.141 -0.741 1
1 334 . 14 1 1 A 29 29 ASN N N 29 118.500 119.696 -1.196 1
1 336 . 14 1 1 A 30 30 THR H H 30 8.170 7.808 0.362 1
1 337 . 14 1 1 A 30 30 THR HA H 30 4.160 4.164 -0.004 1
1 342 . 14 1 1 A 30 30 THR CA C 30 66.100 65.964 0.136 1
1 343 . 14 1 1 A 30 30 THR CB C 30 69.300 68.117 1.183 1
1 345 . 14 1 1 A 30 30 THR N N 30 113.100 113.452 -0.352 1
1 346 . 14 1 1 A 31 31 ILE H H 31 8.030 7.591 0.439 1
1 347 . 14 1 1 A 31 31 ILE HA H 31 3.850 3.672 0.178 1
1 357 . 14 1 1 A 31 31 ILE CA C 31 65.200 65.595 -0.395 1
1 358 . 14 1 1 A 31 31 ILE CB C 31 36.300 37.438 -1.138 1
1 362 . 14 1 1 A 31 31 ILE N N 31 122.000 123.891 -1.891 1
1 363 . 14 1 1 A 32 32 LYS H H 32 8.320 8.624 -0.304 1
1 364 . 14 1 1 A 32 32 LYS HA H 32 4.090 4.012 0.078 1
1 373 . 14 1 1 A 32 32 LYS CA C 32 60.500 59.521 0.979 1
1 374 . 14 1 1 A 32 32 LYS CB C 32 32.500 32.161 0.339 1
1 378 . 14 1 1 A 32 32 LYS N N 32 121.300 121.628 -0.328 1
1 379 . 14 1 1 A 33 33 THR H H 33 8.160 7.653 0.507 1
1 380 . 14 1 1 A 33 33 THR HA H 33 3.690 3.976 -0.286 1
1 385 . 14 1 1 A 33 33 THR CA C 33 66.500 66.223 0.277 1
1 386 . 14 1 1 A 33 33 THR CB C 33 69.200 69.061 0.139 1
1 388 . 14 1 1 A 33 33 THR N N 33 113.400 116.474 -3.074 1
1 389 . 14 1 1 A 34 34 TYR H H 34 7.640 8.108 -0.468 1
1 390 . 14 1 1 A 34 34 TYR HA H 34 4.670 4.344 0.326 1
1 397 . 14 1 1 A 34 34 TYR CA C 34 59.800 60.531 -0.731 1
1 398 . 14 1 1 A 34 34 TYR CB C 34 39.800 38.872 0.928 1
1 401 . 14 1 1 A 34 34 TYR N N 34 113.700 119.040 -5.340 1
1 402 . 14 1 1 A 35 35 CYS H H 35 8.170 8.384 -0.214 1
1 403 . 14 1 1 A 35 35 CYS HA H 35 4.470 4.361 0.109 1
1 406 . 14 1 1 A 35 35 CYS CA C 35 60.700 62.434 -1.734 1
1 407 . 14 1 1 A 35 35 CYS CB C 35 27.700 27.741 -0.041 1
1 408 . 14 1 1 A 35 35 CYS N N 35 113.100 118.456 -5.356 1
1 409 . 14 1 1 A 36 36 GLY H H 36 8.110 8.197 -0.087 1
1 410 . 14 1 1 A 36 36 GLY HA2 H 36 3.880 3.839 0.041 1
1 411 . 14 1 1 A 36 36 GLY HA3 H 36 4.480 3.885 0.595 1
1 412 . 14 1 1 A 36 36 GLY CA C 36 49.400 48.312 1.088 1
1 413 . 14 1 1 A 36 36 GLY N N 36 110.800 109.682 1.118 1
1 414 . 14 1 1 A 37 37 PRO HA H 37 4.470 4.318 0.152 1
1 421 . 14 1 1 A 37 37 PRO CA C 37 64.400 65.048 -0.648 1
1 422 . 14 1 1 A 37 37 PRO CB C 37 32.700 31.427 1.273 1
1 425 . 14 1 1 A 38 38 VAL H H 38 7.270 7.382 -0.112 1
1 426 . 14 1 1 A 38 38 VAL HA H 38 4.190 4.009 0.181 1
1 434 . 14 1 1 A 38 38 VAL CA C 38 63.600 63.547 0.053 1
1 435 . 14 1 1 A 38 38 VAL CB C 38 34.800 32.002 2.798 1
1 438 . 14 1 1 A 38 38 VAL N N 38 113.900 115.828 -1.928 1
1 439 . 14 1 1 A 39 39 ILE H H 39 7.590 7.696 -0.106 1
1 440 . 14 1 1 A 39 39 ILE HA H 39 4.590 4.147 0.443 1
1 450 . 14 1 1 A 39 39 ILE CA C 39 60.500 61.253 -0.753 1
1 451 . 14 1 1 A 39 39 ILE CB C 39 39.500 37.567 1.933 1
1 455 . 14 1 1 A 39 39 ILE N N 39 107.400 115.873 -8.473 1
1 456 . 14 1 1 A 40 40 GLY H H 40 7.670 7.814 -0.144 1
1 457 . 14 1 1 A 40 40 GLY HA2 H 40 4.040 3.898 0.142 1
1 458 . 14 1 1 A 40 40 GLY HA3 H 40 4.430 4.033 0.397 1
1 459 . 14 1 1 A 40 40 GLY CA C 40 49.400 48.282 1.118 1
1 460 . 14 1 1 A 40 40 GLY N N 40 109.200 112.489 -3.289 1
1 461 . 14 1 1 A 41 41 PRO HA H 41 4.770 4.504 0.266 1
1 468 . 14 1 1 A 41 41 PRO CA C 41 63.200 63.955 -0.755 1
1 469 . 14 1 1 A 41 41 PRO CB C 41 31.800 31.802 -0.002 1
1 472 . 14 1 1 A 42 42 LEU H H 42 7.540 7.375 0.165 1
1 473 . 14 1 1 A 42 42 LEU HA H 42 4.320 4.448 -0.128 1
1 483 . 14 1 1 A 42 42 LEU CA C 42 54.000 54.102 -0.102 1
1 484 . 14 1 1 A 42 42 LEU CB C 42 42.000 42.837 -0.837 1
1 488 . 14 1 1 A 42 42 LEU N N 42 119.600 120.466 -0.866 1
1 489 . 14 1 1 A 43 43 SER H H 43 8.880 8.698 0.182 1
1 490 . 14 1 1 A 43 43 SER HA H 43 4.510 4.720 -0.210 1
1 493 . 14 1 1 A 43 43 SER CA C 43 58.600 58.511 0.089 1
1 494 . 14 1 1 A 43 43 SER CB C 43 63.000 63.674 -0.674 1
1 495 . 14 1 1 A 43 43 SER N N 43 116.100 117.014 -0.914 1
1 496 . 14 1 1 A 44 44 VAL H H 44 9.020 8.767 0.253 1
1 497 . 14 1 1 A 44 44 VAL HA H 44 3.920 4.116 -0.196 1
1 505 . 14 1 1 A 44 44 VAL CA C 44 65.900 64.860 1.040 1
1 506 . 14 1 1 A 44 44 VAL CB C 44 32.100 31.946 0.154 1
1 509 . 14 1 1 A 44 44 VAL N N 44 124.400 126.671 -2.271 1
1 510 . 14 1 1 A 45 45 GLN H H 45 8.700 7.843 0.857 1
1 511 . 14 1 1 A 45 45 GLN HA H 45 4.170 3.988 0.182 1
1 518 . 14 1 1 A 45 45 GLN CA C 45 57.400 59.003 -1.603 1
1 519 . 14 1 1 A 45 45 GLN CB C 45 29.000 28.563 0.437 1
1 521 . 14 1 1 A 45 45 GLN N N 45 120.500 121.233 -0.733 1
1 523 . 14 1 1 A 46 46 ASP H H 46 7.870 7.742 0.128 1
1 524 . 14 1 1 A 46 46 ASP HA H 46 4.720 4.661 0.059 1
1 527 . 14 1 1 A 46 46 ASP CA C 46 54.400 54.816 -0.416 1
1 528 . 14 1 1 A 46 46 ASP CB C 46 40.800 41.544 -0.744 1
1 529 . 14 1 1 A 46 46 ASP N N 46 117.200 117.770 -0.570 1
1 530 . 14 1 1 A 47 47 VAL H H 47 6.970 7.447 -0.477 1
1 531 . 14 1 1 A 47 47 VAL HA H 47 3.490 3.895 -0.405 1
1 539 . 14 1 1 A 47 47 VAL CA C 47 65.200 62.883 2.317 1
1 540 . 14 1 1 A 47 47 VAL CB C 47 31.100 31.526 -0.426 1
1 543 . 14 1 1 A 47 47 VAL N N 47 118.500 121.502 -3.002 1
1 544 . 14 1 1 A 48 48 ASP H H 48 7.220 8.325 -1.105 1
1 545 . 14 1 1 A 48 48 ASP HA H 48 4.910 5.012 -0.102 1
1 548 . 14 1 1 A 48 48 ASP CA C 48 51.600 52.249 -0.649 1
1 549 . 14 1 1 A 48 48 ASP CB C 48 42.700 43.566 -0.866 1
1 550 . 14 1 1 A 48 48 ASP N N 48 128.000 129.268 -1.268 1
1 551 . 14 1 1 A 49 49 THR H H 49 8.490 8.933 -0.443 1
1 552 . 14 1 1 A 49 49 THR HA H 49 3.770 3.869 -0.099 1
1 557 . 14 1 1 A 49 49 THR CA C 49 67.300 66.171 1.129 1
1 558 . 14 1 1 A 49 49 THR CB C 49 68.900 68.752 0.148 1
1 560 . 14 1 1 A 49 49 THR N N 49 115.800 119.073 -3.273 1
1 561 . 14 1 1 A 50 50 LYS H H 50 7.860 8.243 -0.383 1
1 562 . 14 1 1 A 50 50 LYS HA H 50 3.860 4.053 -0.193 1
1 571 . 14 1 1 A 50 50 LYS CA C 50 60.000 59.178 0.822 1
1 572 . 14 1 1 A 50 50 LYS CB C 50 31.600 32.126 -0.526 1
1 576 . 14 1 1 A 50 50 LYS N N 50 120.500 120.985 -0.485 1
1 577 . 14 1 1 A 51 51 LEU H H 51 8.190 8.149 0.041 1
1 578 . 14 1 1 A 51 51 LEU HA H 51 4.050 3.997 0.053 1
1 588 . 14 1 1 A 51 51 LEU CA C 51 57.600 58.246 -0.646 1
1 589 . 14 1 1 A 51 51 LEU CB C 51 42.400 41.539 0.861 1
1 593 . 14 1 1 A 51 51 LEU N N 51 120.600 119.141 1.459 1
1 594 . 14 1 1 A 52 52 ILE H H 52 7.850 7.894 -0.044 1
1 595 . 14 1 1 A 52 52 ILE HA H 52 3.440 3.484 -0.044 1
1 605 . 14 1 1 A 52 52 ILE CA C 52 65.200 64.891 0.309 1
1 606 . 14 1 1 A 52 52 ILE CB C 52 36.700 37.203 -0.503 1
1 610 . 14 1 1 A 52 52 ILE N N 52 118.600 120.314 -1.714 1
1 611 . 14 1 1 A 53 53 MET H H 53 8.540 8.383 0.157 1
1 612 . 14 1 1 A 53 53 MET HA H 53 4.040 4.134 -0.094 1
1 620 . 14 1 1 A 53 53 MET CA C 53 59.000 59.195 -0.195 1
1 621 . 14 1 1 A 53 53 MET CB C 53 31.300 32.500 -1.200 1
1 624 . 14 1 1 A 53 53 MET N N 53 118.600 118.489 0.111 1
1 625 . 14 1 1 A 54 54 LYS H H 54 7.620 7.643 -0.023 1
1 626 . 14 1 1 A 54 54 LYS HA H 54 4.140 4.092 0.048 1
1 635 . 14 1 1 A 54 54 LYS CA C 54 59.200 58.924 0.276 1
1 636 . 14 1 1 A 54 54 LYS CB C 54 32.300 32.580 -0.280 1
1 640 . 14 1 1 A 54 54 LYS N N 54 119.100 119.314 -0.214 1
1 641 . 14 1 1 A 55 55 VAL H H 55 7.560 7.281 0.279 1
1 642 . 14 1 1 A 55 55 VAL HA H 55 3.670 3.600 0.070 1
1 650 . 14 1 1 A 55 55 VAL CA C 55 65.600 66.045 -0.445 1
1 651 . 14 1 1 A 55 55 VAL CB C 55 31.900 31.507 0.393 1
1 654 . 14 1 1 A 55 55 VAL N N 55 117.200 119.654 -2.454 1
1 655 . 14 1 1 A 56 56 LEU H H 56 7.790 8.193 -0.403 1
1 656 . 14 1 1 A 56 56 LEU HA H 56 3.900 3.885 0.015 1
1 666 . 14 1 1 A 56 56 LEU CA C 56 56.400 57.204 -0.804 1
1 667 . 14 1 1 A 56 56 LEU CB C 56 42.700 41.930 0.770 1
1 671 . 14 1 1 A 56 56 LEU N N 56 114.400 118.920 -4.520 1
1 672 . 14 1 1 A 57 57 ASP H H 57 8.850 8.116 0.734 1
1 673 . 14 1 1 A 57 57 ASP HA H 57 4.140 4.509 -0.369 1
1 676 . 14 1 1 A 57 57 ASP CA C 57 59.100 59.317 -0.217 1
1 677 . 14 1 1 A 57 57 ASP CB C 57 38.200 38.312 -0.112 1
1 678 . 14 1 1 A 57 57 ASP N N 57 120.500 121.399 -0.899 1
1 679 . 14 1 1 A 58 58 PRO HA H 58 4.520 4.437 0.083 1
1 686 . 14 1 1 A 58 58 PRO CA C 58 65.300 64.979 0.321 1
1 687 . 14 1 1 A 58 58 PRO CB C 58 31.700 31.395 0.305 1
1 690 . 14 1 1 A 59 59 ILE H H 59 7.400 7.286 0.114 1
1 691 . 14 1 1 A 59 59 ILE HA H 59 4.060 3.876 0.184 1
1 701 . 14 1 1 A 59 59 ILE CA C 59 62.300 63.840 -1.540 1
1 702 . 14 1 1 A 59 59 ILE CB C 59 39.300 36.896 2.404 1
1 706 . 14 1 1 A 59 59 ILE N N 59 113.300 116.221 -2.921 1
1 707 . 14 1 1 A 60 60 TRP H H 60 8.000 8.208 -0.208 1
1 708 . 14 1 1 A 60 60 TRP HA H 60 3.830 4.428 -0.598 1
1 717 . 14 1 1 A 60 60 TRP CA C 60 61.300 59.808 1.492 1
1 718 . 14 1 1 A 60 60 TRP CB C 60 29.700 29.432 0.268 1
1 724 . 14 1 1 A 60 60 TRP N N 60 120.900 120.763 0.137 1
1 726 . 14 1 1 A 61 61 GLU H H 61 7.840 8.326 -0.486 1
1 727 . 14 1 1 A 61 61 GLU HA H 61 4.110 4.278 -0.168 1
1 732 . 14 1 1 A 61 61 GLU CA C 61 58.100 58.835 -0.735 1
1 733 . 14 1 1 A 61 61 GLU CB C 61 29.500 29.513 -0.013 1
1 735 . 14 1 1 A 61 61 GLU N N 61 112.300 119.796 -7.496 1
1 736 . 14 1 1 A 62 62 GLN H H 62 7.710 7.702 0.008 1
1 737 . 14 1 1 A 62 62 GLN HA H 62 4.400 4.445 -0.045 1
1 744 . 14 1 1 A 62 62 GLN CA C 62 57.200 57.406 -0.206 1
1 745 . 14 1 1 A 62 62 GLN CB C 62 30.800 30.152 0.648 1
1 747 . 14 1 1 A 62 62 GLN N N 62 115.200 117.460 -2.260 1
1 749 . 14 1 1 A 63 63 LYS H H 63 8.500 8.062 0.438 1
1 750 . 14 1 1 A 63 63 LYS HA H 63 4.860 4.773 0.087 1
1 759 . 14 1 1 A 63 63 LYS CA C 63 53.300 53.704 -0.404 1
1 760 . 14 1 1 A 63 63 LYS CB C 63 33.800 32.819 0.981 1
1 764 . 14 1 1 A 63 63 LYS N N 63 117.800 119.068 -1.268 1
1 765 . 14 1 1 A 64 64 PRO HA H 64 4.110 4.393 -0.283 1
1 772 . 14 1 1 A 64 64 PRO CA C 64 66.000 65.237 0.763 1
1 773 . 14 1 1 A 64 64 PRO CB C 64 31.500 32.021 -0.521 1
1 776 . 14 1 1 A 65 65 GLU H H 65 8.680 8.320 0.360 1
1 777 . 14 1 1 A 65 65 GLU HA H 65 4.120 4.070 0.050 1
1 782 . 14 1 1 A 65 65 GLU CA C 65 59.300 59.504 -0.204 1
1 783 . 14 1 1 A 65 65 GLU CB C 65 28.500 29.317 -0.817 1
1 785 . 14 1 1 A 65 65 GLU N N 65 117.800 118.175 -0.375 1
1 786 . 14 1 1 A 66 66 THR H H 66 7.370 7.913 -0.543 1
1 787 . 14 1 1 A 66 66 THR HA H 66 3.820 3.737 0.083 1
1 792 . 14 1 1 A 66 66 THR CA C 66 66.200 66.472 -0.272 1
1 793 . 14 1 1 A 66 66 THR CB C 66 68.200 68.453 -0.253 1
1 795 . 14 1 1 A 66 66 THR N N 66 117.800 117.995 -0.195 1
1 796 . 14 1 1 A 67 67 ALA H H 67 7.890 8.171 -0.281 1
1 797 . 14 1 1 A 67 67 ALA HA H 67 3.380 3.567 -0.187 1
1 801 . 14 1 1 A 67 67 ALA CA C 67 55.200 54.859 0.341 1
1 802 . 14 1 1 A 67 67 ALA CB C 67 17.400 17.138 0.262 1
1 803 . 14 1 1 A 67 67 ALA N N 67 123.900 124.022 -0.122 1
1 804 . 14 1 1 A 68 68 SER H H 68 7.920 8.041 -0.121 1
1 805 . 14 1 1 A 68 68 SER HA H 68 4.070 4.222 -0.152 1
1 808 . 14 1 1 A 68 68 SER CA C 68 61.200 60.790 0.410 1
1 809 . 14 1 1 A 68 68 SER CB C 68 62.700 62.975 -0.275 1
1 810 . 14 1 1 A 68 68 SER N N 68 111.500 113.434 -1.934 1
1 811 . 14 1 1 A 69 69 ARG H H 69 7.840 7.644 0.196 1
1 812 . 14 1 1 A 69 69 ARG HA H 69 4.010 3.996 0.014 1
1 819 . 14 1 1 A 69 69 ARG CA C 69 58.700 58.865 -0.165 1
1 820 . 14 1 1 A 69 69 ARG CB C 69 30.000 29.760 0.240 1
1 823 . 14 1 1 A 69 69 ARG N N 69 121.200 122.010 -0.810 1
1 824 . 14 1 1 A 70 70 LEU H H 70 8.490 8.406 0.084 1
1 825 . 14 1 1 A 70 70 LEU HA H 70 3.740 3.944 -0.204 1
1 835 . 14 1 1 A 70 70 LEU CA C 70 57.500 57.614 -0.114 1
1 836 . 14 1 1 A 70 70 LEU CB C 70 41.100 41.700 -0.600 1
1 840 . 14 1 1 A 70 70 LEU N N 70 121.100 121.101 -0.001 1
1 841 . 14 1 1 A 71 71 ARG H H 71 8.460 8.238 0.222 1
1 842 . 14 1 1 A 71 71 ARG HA H 71 3.540 4.089 -0.549 1
1 850 . 14 1 1 A 71 71 ARG CA C 71 60.700 59.118 1.582 1
1 851 . 14 1 1 A 71 71 ARG CB C 71 28.000 30.211 -2.211 1
1 854 . 14 1 1 A 71 71 ARG N N 71 119.800 119.345 0.455 1
1 856 . 14 1 1 A 72 72 GLY H H 72 7.530 8.051 -0.521 1
1 857 . 14 1 1 A 72 72 GLY HA2 H 72 3.980 3.824 0.156 1
1 858 . 14 1 1 A 72 72 GLY HA3 H 72 3.870 3.861 0.009 1
1 859 . 14 1 1 A 72 72 GLY CA C 72 47.100 47.161 -0.061 1
1 860 . 14 1 1 A 72 72 GLY N N 72 103.400 108.495 -5.095 1
1 861 . 14 1 1 A 73 73 ARG H H 73 7.800 7.719 0.081 1
1 862 . 14 1 1 A 73 73 ARG HA H 73 3.930 4.014 -0.084 1
1 869 . 14 1 1 A 73 73 ARG CA C 73 59.400 59.310 0.090 1
1 870 . 14 1 1 A 73 73 ARG CB C 73 29.500 30.069 -0.569 1
1 873 . 14 1 1 A 73 73 ARG N N 73 122.800 121.721 1.079 1
1 874 . 14 1 1 A 74 74 ILE H H 74 8.420 8.545 -0.125 1
1 875 . 14 1 1 A 74 74 ILE HA H 74 3.440 3.811 -0.371 1
1 885 . 14 1 1 A 74 74 ILE CA C 74 66.500 65.583 0.917 1
1 886 . 14 1 1 A 74 74 ILE CB C 74 38.300 37.481 0.819 1
1 890 . 14 1 1 A 74 74 ILE N N 74 118.800 121.034 -2.234 1
1 891 . 14 1 1 A 75 75 GLU H H 75 8.620 8.680 -0.060 1
1 892 . 14 1 1 A 75 75 GLU HA H 75 3.840 4.014 -0.174 1
1 897 . 14 1 1 A 75 75 GLU CA C 75 59.900 59.792 0.108 1
1 898 . 14 1 1 A 75 75 GLU CB C 75 29.400 29.606 -0.206 1
1 900 . 14 1 1 A 75 75 GLU N N 75 119.200 122.211 -3.011 1
1 901 . 14 1 1 A 76 76 SER H H 76 8.380 7.890 0.490 1
1 902 . 14 1 1 A 76 76 SER HA H 76 4.460 4.207 0.253 1
1 905 . 14 1 1 A 76 76 SER CA C 76 62.900 62.559 0.341 1
1 906 . 14 1 1 A 76 76 SER CB C 76 63.000 63.095 -0.095 1
1 907 . 14 1 1 A 76 76 SER N N 76 116.000 117.157 -1.157 1
1 908 . 14 1 1 A 77 77 VAL H H 77 8.190 7.675 0.515 1
1 909 . 14 1 1 A 77 77 VAL HA H 77 3.290 3.124 0.166 1
1 917 . 14 1 1 A 77 77 VAL CA C 77 66.800 66.737 0.063 1
1 918 . 14 1 1 A 77 77 VAL CB C 77 31.400 31.388 0.012 1
1 921 . 14 1 1 A 77 77 VAL N N 77 122.800 122.086 0.714 1
1 922 . 14 1 1 A 78 78 LEU H H 78 8.590 8.402 0.188 1
1 923 . 14 1 1 A 78 78 LEU HA H 78 4.270 4.040 0.230 1
1 933 . 14 1 1 A 78 78 LEU CA C 78 57.800 58.266 -0.466 1
1 934 . 14 1 1 A 78 78 LEU CB C 78 40.900 40.877 0.023 1
1 938 . 14 1 1 A 78 78 LEU N N 78 116.900 118.723 -1.823 1
1 939 . 14 1 1 A 79 79 ASP H H 79 8.790 8.577 0.213 1
1 940 . 14 1 1 A 79 79 ASP HA H 79 4.730 4.361 0.369 1
1 943 . 14 1 1 A 79 79 ASP CA C 79 57.900 57.373 0.527 1
1 944 . 14 1 1 A 79 79 ASP CB C 79 40.400 41.128 -0.728 1
1 945 . 14 1 1 A 79 79 ASP N N 79 123.800 118.853 4.947 1
1 946 . 14 1 1 A 80 80 TRP H H 80 8.210 8.453 -0.243 1
1 947 . 14 1 1 A 80 80 TRP HA H 80 4.380 4.371 0.009 1
1 956 . 14 1 1 A 80 80 TRP CA C 80 61.600 61.468 0.132 1
1 957 . 14 1 1 A 80 80 TRP CB C 80 29.100 29.481 -0.381 1
1 963 . 14 1 1 A 80 80 TRP N N 80 123.700 122.148 1.552 1
1 965 . 14 1 1 A 81 81 ALA H H 81 8.980 8.340 0.640 1
1 966 . 14 1 1 A 81 81 ALA HA H 81 3.850 3.685 0.165 1
1 970 . 14 1 1 A 81 81 ALA CA C 81 54.500 55.076 -0.576 1
1 971 . 14 1 1 A 81 81 ALA CB C 81 19.600 17.938 1.662 1
1 972 . 14 1 1 A 81 81 ALA N N 81 118.400 120.773 -2.373 1
1 973 . 14 1 1 A 82 82 THR H H 82 7.990 7.982 0.008 1
1 974 . 14 1 1 A 82 82 THR HA H 82 4.310 4.017 0.293 1
1 979 . 14 1 1 A 82 82 THR CA C 82 65.800 66.963 -1.163 1
1 980 . 14 1 1 A 82 82 THR CB C 82 68.800 67.950 0.850 1
1 982 . 14 1 1 A 82 82 THR N N 82 116.400 115.261 1.139 1
1 983 . 14 1 1 A 83 83 VAL H H 83 7.970 8.375 -0.405 1
1 984 . 14 1 1 A 83 83 VAL HA H 83 3.720 3.556 0.164 1
1 992 . 14 1 1 A 83 83 VAL CA C 83 65.900 66.865 -0.965 1
1 993 . 14 1 1 A 83 83 VAL CB C 83 31.400 31.455 -0.055 1
1 996 . 14 1 1 A 83 83 VAL N N 83 123.700 121.540 2.160 1
1 997 . 14 1 1 A 84 84 ARG H H 84 7.300 7.859 -0.559 1
1 998 . 14 1 1 A 84 84 ARG HA H 84 3.740 4.122 -0.382 1
1 1005 . 14 1 1 A 84 84 ARG CA C 84 55.300 56.002 -0.702 1
1 1006 . 14 1 1 A 84 84 ARG CB C 84 29.400 30.215 -0.815 1
1 1009 . 14 1 1 A 84 84 ARG N N 84 115.400 118.300 -2.900 1
1 1010 . 14 1 1 A 85 85 GLY H H 85 7.510 7.506 0.004 1
1 1011 . 14 1 1 A 85 85 GLY HA2 H 85 4.010 3.880 0.130 1
1 1012 . 14 1 1 A 85 85 GLY HA3 H 85 3.830 3.935 -0.105 1
1 1013 . 14 1 1 A 85 85 GLY CA C 85 45.400 45.658 -0.258 1
1 1014 . 14 1 1 A 85 85 GLY N N 85 105.600 107.526 -1.926 1
1 1015 . 14 1 1 A 86 86 TYR H H 86 8.120 8.717 -0.597 1
1 1016 . 14 1 1 A 86 86 TYR HA H 86 4.740 4.389 0.351 1
1 1023 . 14 1 1 A 86 86 TYR CA C 86 55.800 59.264 -3.464 1
1 1024 . 14 1 1 A 86 86 TYR CB C 86 38.000 38.976 -0.976 1
1 1027 . 14 1 1 A 86 86 TYR N N 86 118.700 118.337 0.363 1
1 1028 . 14 1 1 A 87 87 ARG H H 87 7.500 7.748 -0.248 1
1 1029 . 14 1 1 A 87 87 ARG HA H 87 4.710 4.649 0.061 1
1 1037 . 14 1 1 A 87 87 ARG CA C 87 54.100 54.882 -0.782 1
1 1038 . 14 1 1 A 87 87 ARG CB C 87 31.900 32.879 -0.979 1
1 1041 . 14 1 1 A 87 87 ARG N N 87 111.200 115.646 -4.446 1
1 1043 . 14 1 1 A 88 88 GLU H H 88 9.190 8.690 0.500 1
1 1044 . 14 1 1 A 88 88 GLU HA H 88 4.760 4.601 0.159 1
1 1049 . 14 1 1 A 88 88 GLU CA C 88 54.800 55.499 -0.699 1
1 1050 . 14 1 1 A 88 88 GLU CB C 88 32.500 31.548 0.952 1
1 1052 . 14 1 1 A 88 88 GLU N N 88 118.800 120.276 -1.476 1
1 1053 . 14 1 1 A 89 89 GLY H H 89 8.580 8.527 0.053 1
1 1054 . 14 1 1 A 89 89 GLY HA2 H 89 3.850 3.957 -0.107 1
1 1055 . 14 1 1 A 89 89 GLY HA3 H 89 4.500 3.958 0.542 1
1 1056 . 14 1 1 A 89 89 GLY CA C 89 43.700 46.553 -2.853 1
1 1057 . 14 1 1 A 89 89 GLY N N 89 107.900 108.882 -0.982 1
1 1058 . 14 1 1 A 90 90 ASP H H 90 8.630 8.501 0.129 1
1 1059 . 14 1 1 A 90 90 ASP HA H 90 4.480 5.363 -0.883 1
1 1062 . 14 1 1 A 90 90 ASP CA C 90 54.600 53.093 1.507 1
1 1063 . 14 1 1 A 90 90 ASP CB C 90 40.500 44.554 -4.054 1
1 1064 . 14 1 1 A 90 90 ASP N N 90 120.700 122.371 -1.671 1
1 1065 . 14 1 1 A 91 91 ASN H H 91 8.930 8.669 0.261 1
1 1066 . 14 1 1 A 91 91 ASN HA H 91 4.580 5.095 -0.515 1
1 1071 . 14 1 1 A 91 91 ASN CA C 91 51.100 51.156 -0.056 1
1 1072 . 14 1 1 A 91 91 ASN CB C 91 39.100 38.877 0.223 1
1 1073 . 14 1 1 A 91 91 ASN N N 91 122.700 120.242 2.458 1
1 1075 . 14 1 1 A 92 92 PRO HA H 92 4.490 4.340 0.150 1
1 1082 . 14 1 1 A 92 92 PRO CA C 92 63.500 63.883 -0.383 1
1 1083 . 14 1 1 A 92 92 PRO CB C 92 32.300 32.778 -0.478 1
1 1086 . 14 1 1 A 93 93 ALA H H 93 8.610 7.946 0.664 1
1 1087 . 14 1 1 A 93 93 ALA HA H 93 4.450 3.876 0.574 1
1 1091 . 14 1 1 A 93 93 ALA CA C 93 52.000 52.884 -0.884 1
1 1092 . 14 1 1 A 93 93 ALA CB C 93 18.100 19.237 -1.137 1
1 1093 . 14 1 1 A 93 93 ALA N N 93 120.500 119.956 0.544 1
1 1094 . 14 1 1 A 94 94 ARG H H 94 7.280 7.614 -0.334 1
1 1095 . 14 1 1 A 94 94 ARG HA H 94 3.830 4.579 -0.749 1
1 1102 . 14 1 1 A 94 94 ARG CA C 94 55.500 55.456 0.044 1
1 1103 . 14 1 1 A 94 94 ARG CB C 94 30.500 31.430 -0.930 1
1 1106 . 14 1 1 A 94 94 ARG N N 94 118.100 117.703 0.397 1
1 1107 . 14 1 1 A 95 95 TRP H H 95 7.310 9.106 -1.796 1
1 1108 . 14 1 1 A 95 95 TRP HA H 95 4.610 5.238 -0.628 1
1 1117 . 14 1 1 A 95 95 TRP CA C 95 55.200 55.695 -0.495 1
1 1118 . 14 1 1 A 95 95 TRP CB C 95 29.500 31.226 -1.726 1
1 1124 . 14 1 1 A 95 95 TRP N N 95 121.200 124.374 -3.174 1
1 1126 . 14 1 1 A 96 96 ARG H H 96 8.380 8.941 -0.561 1
1 1127 . 14 1 1 A 96 96 ARG HA H 96 4.140 4.204 -0.064 1
1 1134 . 14 1 1 A 96 96 ARG CA C 96 57.200 58.288 -1.088 1
1 1135 . 14 1 1 A 96 96 ARG CB C 96 29.900 30.151 -0.251 1
1 1138 . 14 1 1 A 96 96 ARG N N 96 122.100 124.031 -1.931 1
1 1139 . 14 1 1 A 97 97 GLY H H 97 7.920 8.062 -0.142 1
1 1140 . 14 1 1 A 97 97 GLY HA2 H 97 3.710 4.151 -0.441 1
1 1141 . 14 1 1 A 97 97 GLY HA3 H 97 3.630 4.151 -0.521 1
1 1142 . 14 1 1 A 97 97 GLY CA C 97 45.700 45.543 0.157 1
1 1143 . 14 1 1 A 97 97 GLY N N 97 110.500 107.550 2.950 1
1 1144 . 14 1 1 A 98 98 TYR H H 98 7.770 8.418 -0.648 1
1 1145 . 14 1 1 A 98 98 TYR HA H 98 4.090 4.128 -0.038 1
1 1152 . 14 1 1 A 98 98 TYR CA C 98 59.900 58.555 1.345 1
1 1153 . 14 1 1 A 98 98 TYR CB C 98 37.100 38.004 -0.904 1
1 1156 . 14 1 1 A 98 98 TYR N N 98 120.400 119.062 1.338 1
1 1157 . 14 1 1 A 99 99 LEU H H 99 7.820 6.947 0.873 1
1 1158 . 14 1 1 A 99 99 LEU HA H 99 3.890 3.706 0.184 1
1 1168 . 14 1 1 A 99 99 LEU CA C 99 55.600 57.100 -1.500 1
1 1169 . 14 1 1 A 99 99 LEU CB C 99 41.600 40.471 1.129 1
1 1173 . 14 1 1 A 99 99 LEU N N 99 120.700 123.529 -2.829 1
1 1174 . 14 1 1 A 100 100 GLU H H 100 7.680 7.574 0.106 1
1 1175 . 14 1 1 A 100 100 GLU HA H 100 3.900 4.312 -0.412 1
1 1180 . 14 1 1 A 100 100 GLU CA C 100 56.500 54.770 1.730 1
1 1181 . 14 1 1 A 100 100 GLU CB C 100 29.500 31.227 -1.727 1
1 13 . 15 1 1 A 2 2 THR H H 2 9.230 8.716 0.514 1
1 14 . 15 1 1 A 2 2 THR HA H 2 5.080 5.004 0.076 1
1 19 . 15 1 1 A 2 2 THR CA C 2 61.000 60.479 0.521 1
1 20 . 15 1 1 A 2 2 THR CB C 2 70.800 71.628 -0.828 1
1 22 . 15 1 1 A 2 2 THR N N 2 119.100 116.265 2.835 1
1 23 . 15 1 1 A 3 3 PHE H H 3 9.290 9.613 -0.323 1
1 24 . 15 1 1 A 3 3 PHE HA H 3 3.880 4.121 -0.241 1
1 32 . 15 1 1 A 3 3 PHE CA C 3 63.900 62.143 1.757 1
1 33 . 15 1 1 A 3 3 PHE CB C 3 38.800 39.261 -0.461 1
1 37 . 15 1 1 A 3 3 PHE N N 3 122.600 123.652 -1.052 1
1 38 . 15 1 1 A 4 4 SER H H 4 9.930 8.379 1.551 1
1 39 . 15 1 1 A 4 4 SER HA H 4 4.000 4.058 -0.058 1
1 42 . 15 1 1 A 4 4 SER CA C 4 62.800 61.588 1.212 1
1 43 . 15 1 1 A 4 4 SER CB C 4 62.600 62.872 -0.272 1
1 44 . 15 1 1 A 4 4 SER N N 4 116.300 114.110 2.190 1
1 45 . 15 1 1 A 5 5 GLU H H 5 7.980 7.387 0.593 1
1 46 . 15 1 1 A 5 5 GLU HA H 5 3.990 4.048 -0.058 1
1 51 . 15 1 1 A 5 5 GLU CA C 5 58.800 58.890 -0.090 1
1 52 . 15 1 1 A 5 5 GLU CB C 5 29.700 29.973 -0.273 1
1 54 . 15 1 1 A 5 5 GLU N N 5 122.800 121.388 1.412 1
1 55 . 15 1 1 A 6 6 CYS H H 6 8.430 8.031 0.399 1
1 56 . 15 1 1 A 6 6 CYS HA H 6 4.120 4.036 0.084 1
1 59 . 15 1 1 A 6 6 CYS CA C 6 63.300 61.954 1.346 1
1 60 . 15 1 1 A 6 6 CYS CB C 6 27.100 26.915 0.185 1
1 61 . 15 1 1 A 6 6 CYS N N 6 120.100 119.462 0.638 1
1 62 . 15 1 1 A 7 7 ALA H H 7 8.770 8.097 0.673 1
1 63 . 15 1 1 A 7 7 ALA HA H 7 3.790 3.902 -0.112 1
1 67 . 15 1 1 A 7 7 ALA CA C 7 55.200 54.871 0.329 1
1 68 . 15 1 1 A 7 7 ALA CB C 7 17.400 17.898 -0.498 1
1 69 . 15 1 1 A 7 7 ALA N N 7 120.400 122.434 -2.034 1
1 70 . 15 1 1 A 8 8 ALA H H 8 7.800 8.020 -0.220 1
1 71 . 15 1 1 A 8 8 ALA HA H 8 4.130 4.115 0.015 1
1 75 . 15 1 1 A 8 8 ALA CA C 8 55.200 55.055 0.145 1
1 76 . 15 1 1 A 8 8 ALA CB C 8 17.700 18.348 -0.648 1
1 77 . 15 1 1 A 8 8 ALA N N 8 119.200 120.740 -1.540 1
1 78 . 15 1 1 A 9 9 LEU H H 9 8.120 8.225 -0.105 1
1 79 . 15 1 1 A 9 9 LEU HA H 9 4.080 4.008 0.072 1
1 89 . 15 1 1 A 9 9 LEU CA C 9 57.700 57.913 -0.213 1
1 90 . 15 1 1 A 9 9 LEU CB C 9 42.000 42.221 -0.221 1
1 94 . 15 1 1 A 9 9 LEU N N 9 120.300 119.947 0.353 1
1 95 . 15 1 1 A 10 10 TYR H H 10 8.700 8.261 0.439 1
1 96 . 15 1 1 A 10 10 TYR HA H 10 2.330 2.739 -0.409 1
1 103 . 15 1 1 A 10 10 TYR CA C 10 62.000 60.826 1.174 1
1 104 . 15 1 1 A 10 10 TYR CB C 10 38.100 37.782 0.318 1
1 107 . 15 1 1 A 10 10 TYR N N 10 122.900 118.574 4.326 1
1 108 . 15 1 1 A 11 11 ILE H H 11 8.600 8.514 0.086 1
1 109 . 15 1 1 A 11 11 ILE HA H 11 3.270 3.420 -0.150 1
1 119 . 15 1 1 A 11 11 ILE CA C 11 65.600 65.231 0.369 1
1 120 . 15 1 1 A 11 11 ILE CB C 11 38.200 37.777 0.423 1
1 124 . 15 1 1 A 11 11 ILE N N 11 123.900 120.983 2.917 1
1 125 . 15 1 1 A 12 12 LYS H H 12 7.910 7.524 0.386 1
1 126 . 15 1 1 A 12 12 LYS HA H 12 3.870 3.959 -0.089 1
1 135 . 15 1 1 A 12 12 LYS CA C 12 59.900 59.286 0.614 1
1 136 . 15 1 1 A 12 12 LYS CB C 12 32.600 32.031 0.569 1
1 140 . 15 1 1 A 12 12 LYS N N 12 120.600 119.871 0.729 1
1 141 . 15 1 1 A 13 13 ALA H H 13 7.790 8.056 -0.266 1
1 142 . 15 1 1 A 13 13 ALA HA H 13 4.100 4.012 0.088 1
1 146 . 15 1 1 A 13 13 ALA CA C 13 53.200 54.543 -1.343 1
1 147 . 15 1 1 A 13 13 ALA CB C 13 18.200 18.215 -0.015 1
1 148 . 15 1 1 A 13 13 ALA N N 13 118.100 121.309 -3.209 1
1 149 . 15 1 1 A 14 14 HIS H H 14 7.160 7.258 -0.098 1
1 150 . 15 1 1 A 14 14 HIS HA H 14 3.990 4.107 -0.117 1
1 155 . 15 1 1 A 14 14 HIS CA C 14 56.500 55.652 0.848 1
1 156 . 15 1 1 A 14 14 HIS CB C 14 27.000 28.829 -1.829 1
1 159 . 15 1 1 A 14 14 HIS N N 14 113.200 117.542 -4.342 1
1 160 . 15 1 1 A 15 15 ARG H H 15 7.420 8.044 -0.624 1
1 161 . 15 1 1 A 15 15 ARG HA H 15 3.760 3.650 0.110 1
1 168 . 15 1 1 A 15 15 ARG CA C 15 59.800 58.352 1.448 1
1 169 . 15 1 1 A 15 15 ARG CB C 15 29.800 29.578 0.222 1
1 172 . 15 1 1 A 15 15 ARG N N 15 121.100 118.662 2.438 1
1 173 . 15 1 1 A 16 16 SER H H 16 8.540 7.991 0.549 1
1 174 . 15 1 1 A 16 16 SER HA H 16 4.230 4.072 0.158 1
1 177 . 15 1 1 A 16 16 SER CA C 16 60.800 61.628 -0.828 1
1 178 . 15 1 1 A 16 16 SER CB C 16 62.200 62.830 -0.630 1
1 179 . 15 1 1 A 16 16 SER N N 16 114.100 117.608 -3.508 1
1 180 . 15 1 1 A 17 17 SER H H 17 7.680 7.520 0.160 1
1 181 . 15 1 1 A 17 17 SER HA H 17 4.370 3.961 0.409 1
1 184 . 15 1 1 A 17 17 SER CA C 17 59.800 60.896 -1.096 1
1 185 . 15 1 1 A 17 17 SER CB C 17 63.100 62.416 0.684 1
1 186 . 15 1 1 A 17 17 SER N N 17 116.700 115.930 0.770 1
1 187 . 15 1 1 A 18 18 TRP H H 18 7.640 6.901 0.739 1
1 188 . 15 1 1 A 18 18 TRP HA H 18 4.990 4.582 0.408 1
1 197 . 15 1 1 A 18 18 TRP CA C 18 55.200 58.616 -3.416 1
1 198 . 15 1 1 A 18 18 TRP CB C 18 29.500 30.070 -0.570 1
1 204 . 15 1 1 A 18 18 TRP N N 18 121.200 118.227 2.973 1
1 206 . 15 1 1 A 19 19 LYS H H 19 7.920 8.421 -0.501 1
1 207 . 15 1 1 A 19 19 LYS HA H 19 4.180 3.960 0.220 1
1 216 . 15 1 1 A 19 19 LYS CA C 19 58.100 57.065 1.035 1
1 217 . 15 1 1 A 19 19 LYS CB C 19 32.200 31.731 0.469 1
1 221 . 15 1 1 A 19 19 LYS N N 19 121.100 119.473 1.627 1
1 222 . 15 1 1 A 20 20 ASN H H 20 8.630 8.803 -0.173 1
1 223 . 15 1 1 A 20 20 ASN HA H 20 4.760 4.509 0.251 1
1 228 . 15 1 1 A 20 20 ASN CA C 20 53.600 54.643 -1.043 1
1 229 . 15 1 1 A 20 20 ASN CB C 20 38.200 38.370 -0.170 1
1 230 . 15 1 1 A 20 20 ASN N N 20 116.500 123.676 -7.176 1
1 232 . 15 1 1 A 21 21 THR H H 21 8.320 8.162 0.158 1
1 233 . 15 1 1 A 21 21 THR HA H 21 4.470 4.673 -0.203 1
1 238 . 15 1 1 A 21 21 THR CA C 21 62.500 62.415 0.085 1
1 239 . 15 1 1 A 21 21 THR CB C 21 70.700 69.633 1.067 1
1 241 . 15 1 1 A 21 21 THR N N 21 113.700 110.338 3.362 1
1 242 . 15 1 1 A 22 22 LYS H H 22 8.440 8.387 0.053 1
1 243 . 15 1 1 A 22 22 LYS HA H 22 4.500 4.527 -0.027 1
1 252 . 15 1 1 A 22 22 LYS CA C 22 56.700 56.501 0.199 1
1 253 . 15 1 1 A 22 22 LYS CB C 22 31.700 33.304 -1.604 1
1 257 . 15 1 1 A 22 22 LYS N N 22 120.900 121.678 -0.778 1
1 258 . 15 1 1 A 23 23 HIS H H 23 8.110 8.312 -0.202 1
1 259 . 15 1 1 A 23 23 HIS HA H 23 4.450 4.408 0.042 1
1 264 . 15 1 1 A 23 23 HIS CA C 23 57.300 59.406 -2.106 1
1 265 . 15 1 1 A 23 23 HIS CB C 23 27.900 29.379 -1.479 1
1 268 . 15 1 1 A 23 23 HIS N N 23 116.800 117.804 -1.004 1
1 269 . 15 1 1 A 24 24 ALA H H 24 8.490 8.425 0.065 1
1 270 . 15 1 1 A 24 24 ALA HA H 24 4.000 4.118 -0.118 1
1 274 . 15 1 1 A 24 24 ALA CA C 24 55.700 55.299 0.401 1
1 275 . 15 1 1 A 24 24 ALA CB C 24 18.000 18.099 -0.099 1
1 276 . 15 1 1 A 24 24 ALA N N 24 121.700 122.326 -0.626 1
1 277 . 15 1 1 A 25 25 ASP H H 25 8.370 8.059 0.311 1
1 278 . 15 1 1 A 25 25 ASP HA H 25 4.450 4.379 0.071 1
1 281 . 15 1 1 A 25 25 ASP CA C 25 56.800 57.293 -0.493 1
1 282 . 15 1 1 A 25 25 ASP CB C 25 40.200 41.074 -0.874 1
1 283 . 15 1 1 A 25 25 ASP N N 25 119.100 118.732 0.368 1
1 284 . 15 1 1 A 26 26 GLN H H 26 8.020 8.129 -0.109 1
1 285 . 15 1 1 A 26 26 GLN HA H 26 4.250 4.007 0.243 1
1 292 . 15 1 1 A 26 26 GLN CA C 26 58.600 59.211 -0.611 1
1 293 . 15 1 1 A 26 26 GLN CB C 26 28.500 28.130 0.370 1
1 295 . 15 1 1 A 26 26 GLN N N 26 119.500 117.952 1.548 1
1 297 . 15 1 1 A 27 27 TRP H H 27 8.610 7.997 0.613 1
1 298 . 15 1 1 A 27 27 TRP HA H 27 3.840 4.411 -0.571 1
1 307 . 15 1 1 A 27 27 TRP CA C 27 62.400 59.767 2.633 1
1 308 . 15 1 1 A 27 27 TRP CB C 27 28.300 29.220 -0.920 1
1 314 . 15 1 1 A 27 27 TRP N N 27 122.000 121.614 0.386 1
1 316 . 15 1 1 A 28 28 THR H H 28 8.460 8.399 0.061 1
1 317 . 15 1 1 A 28 28 THR HA H 28 3.790 4.026 -0.236 1
1 322 . 15 1 1 A 28 28 THR CA C 28 67.000 67.498 -0.498 1
1 323 . 15 1 1 A 28 28 THR CB C 28 68.900 68.691 0.209 1
1 325 . 15 1 1 A 28 28 THR N N 28 114.800 115.889 -1.089 1
1 326 . 15 1 1 A 29 29 ASN H H 29 8.650 8.955 -0.305 1
1 327 . 15 1 1 A 29 29 ASN HA H 29 4.530 4.409 0.121 1
1 332 . 15 1 1 A 29 29 ASN CA C 29 56.600 56.476 0.124 1
1 333 . 15 1 1 A 29 29 ASN CB C 29 38.400 39.299 -0.899 1
1 334 . 15 1 1 A 29 29 ASN N N 29 118.500 119.568 -1.068 1
1 336 . 15 1 1 A 30 30 THR H H 30 8.170 8.028 0.142 1
1 337 . 15 1 1 A 30 30 THR HA H 30 4.160 4.097 0.063 1
1 342 . 15 1 1 A 30 30 THR CA C 30 66.100 67.441 -1.341 1
1 343 . 15 1 1 A 30 30 THR CB C 30 69.300 68.851 0.449 1
1 345 . 15 1 1 A 30 30 THR N N 30 113.100 115.483 -2.383 1
1 346 . 15 1 1 A 31 31 ILE H H 31 8.030 7.633 0.397 1
1 347 . 15 1 1 A 31 31 ILE HA H 31 3.850 3.670 0.180 1
1 357 . 15 1 1 A 31 31 ILE CA C 31 65.200 65.784 -0.584 1
1 358 . 15 1 1 A 31 31 ILE CB C 31 36.300 37.789 -1.489 1
1 362 . 15 1 1 A 31 31 ILE N N 31 122.000 121.195 0.805 1
1 363 . 15 1 1 A 32 32 LYS H H 32 8.320 8.665 -0.345 1
1 364 . 15 1 1 A 32 32 LYS HA H 32 4.090 4.167 -0.077 1
1 373 . 15 1 1 A 32 32 LYS CA C 32 60.500 59.448 1.052 1
1 374 . 15 1 1 A 32 32 LYS CB C 32 32.500 32.110 0.390 1
1 378 . 15 1 1 A 32 32 LYS N N 32 121.300 121.507 -0.207 1
1 379 . 15 1 1 A 33 33 THR H H 33 8.160 7.585 0.575 1
1 380 . 15 1 1 A 33 33 THR HA H 33 3.690 3.956 -0.266 1
1 385 . 15 1 1 A 33 33 THR CA C 33 66.500 66.171 0.329 1
1 386 . 15 1 1 A 33 33 THR CB C 33 69.200 69.040 0.160 1
1 388 . 15 1 1 A 33 33 THR N N 33 113.400 116.398 -2.998 1
1 389 . 15 1 1 A 34 34 TYR H H 34 7.640 8.431 -0.791 1
1 390 . 15 1 1 A 34 34 TYR HA H 34 4.670 4.326 0.344 1
1 397 . 15 1 1 A 34 34 TYR CA C 34 59.800 60.583 -0.783 1
1 398 . 15 1 1 A 34 34 TYR CB C 34 39.800 38.803 0.997 1
1 401 . 15 1 1 A 34 34 TYR N N 34 113.700 119.028 -5.328 1
1 402 . 15 1 1 A 35 35 CYS H H 35 8.170 8.366 -0.196 1
1 403 . 15 1 1 A 35 35 CYS HA H 35 4.470 4.306 0.164 1
1 406 . 15 1 1 A 35 35 CYS CA C 35 60.700 62.929 -2.229 1
1 407 . 15 1 1 A 35 35 CYS CB C 35 27.700 27.439 0.261 1
1 408 . 15 1 1 A 35 35 CYS N N 35 113.100 118.378 -5.278 1
1 409 . 15 1 1 A 36 36 GLY H H 36 8.110 8.245 -0.135 1
1 410 . 15 1 1 A 36 36 GLY HA2 H 36 3.880 3.836 0.044 1
1 411 . 15 1 1 A 36 36 GLY HA3 H 36 4.480 3.882 0.598 1
1 412 . 15 1 1 A 36 36 GLY CA C 36 49.400 48.299 1.101 1
1 413 . 15 1 1 A 36 36 GLY N N 36 110.800 109.965 0.835 1
1 414 . 15 1 1 A 37 37 PRO HA H 37 4.470 4.315 0.155 1
1 421 . 15 1 1 A 37 37 PRO CA C 37 64.400 65.165 -0.765 1
1 422 . 15 1 1 A 37 37 PRO CB C 37 32.700 31.440 1.260 1
1 425 . 15 1 1 A 38 38 VAL H H 38 7.270 7.460 -0.190 1
1 426 . 15 1 1 A 38 38 VAL HA H 38 4.190 3.970 0.220 1
1 434 . 15 1 1 A 38 38 VAL CA C 38 63.600 63.594 0.006 1
1 435 . 15 1 1 A 38 38 VAL CB C 38 34.800 32.086 2.714 1
1 438 . 15 1 1 A 38 38 VAL N N 38 113.900 115.815 -1.915 1
1 439 . 15 1 1 A 39 39 ILE H H 39 7.590 7.885 -0.295 1
1 440 . 15 1 1 A 39 39 ILE HA H 39 4.590 4.300 0.290 1
1 450 . 15 1 1 A 39 39 ILE CA C 39 60.500 60.804 -0.304 1
1 451 . 15 1 1 A 39 39 ILE CB C 39 39.500 37.850 1.650 1
1 455 . 15 1 1 A 39 39 ILE N N 39 107.400 115.054 -7.654 1
1 456 . 15 1 1 A 40 40 GLY H H 40 7.670 8.005 -0.335 1
1 457 . 15 1 1 A 40 40 GLY HA2 H 40 4.040 3.895 0.145 1
1 458 . 15 1 1 A 40 40 GLY HA3 H 40 4.430 4.035 0.395 1
1 459 . 15 1 1 A 40 40 GLY CA C 40 49.400 48.284 1.116 1
1 460 . 15 1 1 A 40 40 GLY N N 40 109.200 112.477 -3.277 1
1 461 . 15 1 1 A 41 41 PRO HA H 41 4.770 4.515 0.255 1
1 468 . 15 1 1 A 41 41 PRO CA C 41 63.200 64.003 -0.803 1
1 469 . 15 1 1 A 41 41 PRO CB C 41 31.800 31.973 -0.173 1
1 472 . 15 1 1 A 42 42 LEU H H 42 7.540 7.380 0.160 1
1 473 . 15 1 1 A 42 42 LEU HA H 42 4.320 4.417 -0.097 1
1 483 . 15 1 1 A 42 42 LEU CA C 42 54.000 54.217 -0.217 1
1 484 . 15 1 1 A 42 42 LEU CB C 42 42.000 42.899 -0.899 1
1 488 . 15 1 1 A 42 42 LEU N N 42 119.600 120.383 -0.783 1
1 489 . 15 1 1 A 43 43 SER H H 43 8.880 8.713 0.167 1
1 490 . 15 1 1 A 43 43 SER HA H 43 4.510 4.715 -0.205 1
1 493 . 15 1 1 A 43 43 SER CA C 43 58.600 58.600 0.000 1
1 494 . 15 1 1 A 43 43 SER CB C 43 63.000 63.520 -0.520 1
1 495 . 15 1 1 A 43 43 SER N N 43 116.100 117.684 -1.584 1
1 496 . 15 1 1 A 44 44 VAL H H 44 9.020 8.962 0.058 1
1 497 . 15 1 1 A 44 44 VAL HA H 44 3.920 4.126 -0.206 1
1 505 . 15 1 1 A 44 44 VAL CA C 44 65.900 64.814 1.086 1
1 506 . 15 1 1 A 44 44 VAL CB C 44 32.100 31.972 0.128 1
1 509 . 15 1 1 A 44 44 VAL N N 44 124.400 126.469 -2.069 1
1 510 . 15 1 1 A 45 45 GLN H H 45 8.700 7.688 1.012 1
1 511 . 15 1 1 A 45 45 GLN HA H 45 4.170 4.036 0.134 1
1 518 . 15 1 1 A 45 45 GLN CA C 45 57.400 58.746 -1.346 1
1 519 . 15 1 1 A 45 45 GLN CB C 45 29.000 28.169 0.831 1
1 521 . 15 1 1 A 45 45 GLN N N 45 120.500 121.297 -0.797 1
1 523 . 15 1 1 A 46 46 ASP H H 46 7.870 7.967 -0.097 1
1 524 . 15 1 1 A 46 46 ASP HA H 46 4.720 4.524 0.196 1
1 527 . 15 1 1 A 46 46 ASP CA C 46 54.400 56.428 -2.028 1
1 528 . 15 1 1 A 46 46 ASP CB C 46 40.800 40.811 -0.011 1
1 529 . 15 1 1 A 46 46 ASP N N 46 117.200 118.356 -1.156 1
1 530 . 15 1 1 A 47 47 VAL H H 47 6.970 7.121 -0.151 1
1 531 . 15 1 1 A 47 47 VAL HA H 47 3.490 3.861 -0.371 1
1 539 . 15 1 1 A 47 47 VAL CA C 47 65.200 63.121 2.079 1
1 540 . 15 1 1 A 47 47 VAL CB C 47 31.100 31.321 -0.221 1
1 543 . 15 1 1 A 47 47 VAL N N 47 118.500 120.762 -2.262 1
1 544 . 15 1 1 A 48 48 ASP H H 48 7.220 8.481 -1.261 1
1 545 . 15 1 1 A 48 48 ASP HA H 48 4.910 5.070 -0.160 1
1 548 . 15 1 1 A 48 48 ASP CA C 48 51.600 52.443 -0.843 1
1 549 . 15 1 1 A 48 48 ASP CB C 48 42.700 44.041 -1.341 1
1 550 . 15 1 1 A 48 48 ASP N N 48 128.000 128.132 -0.132 1
1 551 . 15 1 1 A 49 49 THR H H 49 8.490 8.725 -0.235 1
1 552 . 15 1 1 A 49 49 THR HA H 49 3.770 3.889 -0.119 1
1 557 . 15 1 1 A 49 49 THR CA C 49 67.300 66.737 0.563 1
1 558 . 15 1 1 A 49 49 THR CB C 49 68.900 69.081 -0.181 1
1 560 . 15 1 1 A 49 49 THR N N 49 115.800 118.345 -2.545 1
1 561 . 15 1 1 A 50 50 LYS H H 50 7.860 7.705 0.155 1
1 562 . 15 1 1 A 50 50 LYS HA H 50 3.860 4.137 -0.277 1
1 571 . 15 1 1 A 50 50 LYS CA C 50 60.000 59.490 0.510 1
1 572 . 15 1 1 A 50 50 LYS CB C 50 31.600 32.089 -0.489 1
1 576 . 15 1 1 A 50 50 LYS N N 50 120.500 120.263 0.237 1
1 577 . 15 1 1 A 51 51 LEU H H 51 8.190 8.130 0.060 1
1 578 . 15 1 1 A 51 51 LEU HA H 51 4.050 4.028 0.022 1
1 588 . 15 1 1 A 51 51 LEU CA C 51 57.600 58.117 -0.517 1
1 589 . 15 1 1 A 51 51 LEU CB C 51 42.400 41.687 0.713 1
1 593 . 15 1 1 A 51 51 LEU N N 51 120.600 120.091 0.509 1
1 594 . 15 1 1 A 52 52 ILE H H 52 7.850 8.106 -0.256 1
1 595 . 15 1 1 A 52 52 ILE HA H 52 3.440 3.492 -0.052 1
1 605 . 15 1 1 A 52 52 ILE CA C 52 65.200 65.003 0.197 1
1 606 . 15 1 1 A 52 52 ILE CB C 52 36.700 37.475 -0.775 1
1 610 . 15 1 1 A 52 52 ILE N N 52 118.600 119.739 -1.139 1
1 611 . 15 1 1 A 53 53 MET H H 53 8.540 8.238 0.302 1
1 612 . 15 1 1 A 53 53 MET HA H 53 4.040 4.165 -0.125 1
1 620 . 15 1 1 A 53 53 MET CA C 53 59.000 59.424 -0.424 1
1 621 . 15 1 1 A 53 53 MET CB C 53 31.300 32.996 -1.696 1
1 624 . 15 1 1 A 53 53 MET N N 53 118.600 118.329 0.271 1
1 625 . 15 1 1 A 54 54 LYS H H 54 7.620 7.977 -0.357 1
1 626 . 15 1 1 A 54 54 LYS HA H 54 4.140 4.129 0.011 1
1 635 . 15 1 1 A 54 54 LYS CA C 54 59.200 58.903 0.297 1
1 636 . 15 1 1 A 54 54 LYS CB C 54 32.300 32.584 -0.284 1
1 640 . 15 1 1 A 54 54 LYS N N 54 119.100 119.118 -0.018 1
1 641 . 15 1 1 A 55 55 VAL H H 55 7.560 7.303 0.257 1
1 642 . 15 1 1 A 55 55 VAL HA H 55 3.670 3.574 0.096 1
1 650 . 15 1 1 A 55 55 VAL CA C 55 65.600 66.006 -0.406 1
1 651 . 15 1 1 A 55 55 VAL CB C 55 31.900 31.656 0.244 1
1 654 . 15 1 1 A 55 55 VAL N N 55 117.200 119.419 -2.219 1
1 655 . 15 1 1 A 56 56 LEU H H 56 7.790 7.948 -0.158 1
1 656 . 15 1 1 A 56 56 LEU HA H 56 3.900 3.750 0.150 1
1 666 . 15 1 1 A 56 56 LEU CA C 56 56.400 57.123 -0.723 1
1 667 . 15 1 1 A 56 56 LEU CB C 56 42.700 41.437 1.263 1
1 671 . 15 1 1 A 56 56 LEU N N 56 114.400 117.998 -3.598 1
1 672 . 15 1 1 A 57 57 ASP H H 57 8.850 8.585 0.265 1
1 673 . 15 1 1 A 57 57 ASP HA H 57 4.140 4.728 -0.588 1
1 676 . 15 1 1 A 57 57 ASP CA C 57 59.100 59.416 -0.316 1
1 677 . 15 1 1 A 57 57 ASP CB C 57 38.200 38.071 0.129 1
1 678 . 15 1 1 A 57 57 ASP N N 57 120.500 121.125 -0.625 1
1 679 . 15 1 1 A 58 58 PRO HA H 58 4.520 4.408 0.112 1
1 686 . 15 1 1 A 58 58 PRO CA C 58 65.300 65.451 -0.151 1
1 687 . 15 1 1 A 58 58 PRO CB C 58 31.700 30.814 0.886 1
1 690 . 15 1 1 A 59 59 ILE H H 59 7.400 7.342 0.058 1
1 691 . 15 1 1 A 59 59 ILE HA H 59 4.060 3.842 0.218 1
1 701 . 15 1 1 A 59 59 ILE CA C 59 62.300 63.797 -1.497 1
1 702 . 15 1 1 A 59 59 ILE CB C 59 39.300 36.871 2.429 1
1 706 . 15 1 1 A 59 59 ILE N N 59 113.300 116.440 -3.140 1
1 707 . 15 1 1 A 60 60 TRP H H 60 8.000 8.153 -0.153 1
1 708 . 15 1 1 A 60 60 TRP HA H 60 3.830 4.488 -0.658 1
1 717 . 15 1 1 A 60 60 TRP CA C 60 61.300 59.901 1.399 1
1 718 . 15 1 1 A 60 60 TRP CB C 60 29.700 29.297 0.403 1
1 724 . 15 1 1 A 60 60 TRP N N 60 120.900 121.145 -0.245 1
1 726 . 15 1 1 A 61 61 GLU H H 61 7.840 7.977 -0.137 1
1 727 . 15 1 1 A 61 61 GLU HA H 61 4.110 4.273 -0.163 1
1 732 . 15 1 1 A 61 61 GLU CA C 61 58.100 59.367 -1.267 1
1 733 . 15 1 1 A 61 61 GLU CB C 61 29.500 30.012 -0.512 1
1 735 . 15 1 1 A 61 61 GLU N N 61 112.300 120.478 -8.178 1
1 736 . 15 1 1 A 62 62 GLN H H 62 7.710 7.741 -0.031 1
1 737 . 15 1 1 A 62 62 GLN HA H 62 4.400 4.465 -0.065 1
1 744 . 15 1 1 A 62 62 GLN CA C 62 57.200 56.851 0.349 1
1 745 . 15 1 1 A 62 62 GLN CB C 62 30.800 30.145 0.655 1
1 747 . 15 1 1 A 62 62 GLN N N 62 115.200 115.636 -0.436 1
1 749 . 15 1 1 A 63 63 LYS H H 63 8.500 8.279 0.221 1
1 750 . 15 1 1 A 63 63 LYS HA H 63 4.860 4.764 0.096 1
1 759 . 15 1 1 A 63 63 LYS CA C 63 53.300 53.840 -0.540 1
1 760 . 15 1 1 A 63 63 LYS CB C 63 33.800 33.031 0.769 1
1 764 . 15 1 1 A 63 63 LYS N N 63 117.800 118.180 -0.380 1
1 765 . 15 1 1 A 64 64 PRO HA H 64 4.110 4.497 -0.387 1
1 772 . 15 1 1 A 64 64 PRO CA C 64 66.000 65.811 0.189 1
1 773 . 15 1 1 A 64 64 PRO CB C 64 31.500 31.840 -0.340 1
1 776 . 15 1 1 A 65 65 GLU H H 65 8.680 8.227 0.453 1
1 777 . 15 1 1 A 65 65 GLU HA H 65 4.120 4.102 0.018 1
1 782 . 15 1 1 A 65 65 GLU CA C 65 59.300 59.662 -0.362 1
1 783 . 15 1 1 A 65 65 GLU CB C 65 28.500 29.379 -0.879 1
1 785 . 15 1 1 A 65 65 GLU N N 65 117.800 118.485 -0.685 1
1 786 . 15 1 1 A 66 66 THR H H 66 7.370 7.964 -0.594 1
1 787 . 15 1 1 A 66 66 THR HA H 66 3.820 3.721 0.099 1
1 792 . 15 1 1 A 66 66 THR CA C 66 66.200 66.453 -0.253 1
1 793 . 15 1 1 A 66 66 THR CB C 66 68.200 68.346 -0.146 1
1 795 . 15 1 1 A 66 66 THR N N 66 117.800 117.236 0.564 1
1 796 . 15 1 1 A 67 67 ALA H H 67 7.890 8.202 -0.312 1
1 797 . 15 1 1 A 67 67 ALA HA H 67 3.380 3.577 -0.197 1
1 801 . 15 1 1 A 67 67 ALA CA C 67 55.200 54.883 0.317 1
1 802 . 15 1 1 A 67 67 ALA CB C 67 17.400 17.333 0.067 1
1 803 . 15 1 1 A 67 67 ALA N N 67 123.900 123.822 0.078 1
1 804 . 15 1 1 A 68 68 SER H H 68 7.920 8.048 -0.128 1
1 805 . 15 1 1 A 68 68 SER HA H 68 4.070 4.235 -0.165 1
1 808 . 15 1 1 A 68 68 SER CA C 68 61.200 59.951 1.249 1
1 809 . 15 1 1 A 68 68 SER CB C 68 62.700 63.066 -0.366 1
1 810 . 15 1 1 A 68 68 SER N N 68 111.500 113.349 -1.849 1
1 811 . 15 1 1 A 69 69 ARG H H 69 7.840 7.933 -0.093 1
1 812 . 15 1 1 A 69 69 ARG HA H 69 4.010 4.056 -0.046 1
1 819 . 15 1 1 A 69 69 ARG CA C 69 58.700 58.467 0.233 1
1 820 . 15 1 1 A 69 69 ARG CB C 69 30.000 29.492 0.508 1
1 823 . 15 1 1 A 69 69 ARG N N 69 121.200 122.190 -0.990 1
1 824 . 15 1 1 A 70 70 LEU H H 70 8.490 8.287 0.203 1
1 825 . 15 1 1 A 70 70 LEU HA H 70 3.740 3.924 -0.184 1
1 835 . 15 1 1 A 70 70 LEU CA C 70 57.500 57.470 0.030 1
1 836 . 15 1 1 A 70 70 LEU CB C 70 41.100 41.654 -0.554 1
1 840 . 15 1 1 A 70 70 LEU N N 70 121.100 120.909 0.191 1
1 841 . 15 1 1 A 71 71 ARG H H 71 8.460 8.031 0.429 1
1 842 . 15 1 1 A 71 71 ARG HA H 71 3.540 4.059 -0.519 1
1 850 . 15 1 1 A 71 71 ARG CA C 71 60.700 59.071 1.629 1
1 851 . 15 1 1 A 71 71 ARG CB C 71 28.000 29.948 -1.948 1
1 854 . 15 1 1 A 71 71 ARG N N 71 119.800 119.375 0.425 1
1 856 . 15 1 1 A 72 72 GLY H H 72 7.530 7.870 -0.340 1
1 857 . 15 1 1 A 72 72 GLY HA2 H 72 3.980 3.772 0.208 1
1 858 . 15 1 1 A 72 72 GLY HA3 H 72 3.870 3.801 0.069 1
1 859 . 15 1 1 A 72 72 GLY CA C 72 47.100 47.136 -0.036 1
1 860 . 15 1 1 A 72 72 GLY N N 72 103.400 108.395 -4.995 1
1 861 . 15 1 1 A 73 73 ARG H H 73 7.800 7.588 0.212 1
1 862 . 15 1 1 A 73 73 ARG HA H 73 3.930 4.144 -0.214 1
1 869 . 15 1 1 A 73 73 ARG CA C 73 59.400 59.369 0.031 1
1 870 . 15 1 1 A 73 73 ARG CB C 73 29.500 30.093 -0.593 1
1 873 . 15 1 1 A 73 73 ARG N N 73 122.800 121.666 1.134 1
1 874 . 15 1 1 A 74 74 ILE H H 74 8.420 8.475 -0.055 1
1 875 . 15 1 1 A 74 74 ILE HA H 74 3.440 3.870 -0.430 1
1 885 . 15 1 1 A 74 74 ILE CA C 74 66.500 65.605 0.895 1
1 886 . 15 1 1 A 74 74 ILE CB C 74 38.300 37.559 0.741 1
1 890 . 15 1 1 A 74 74 ILE N N 74 118.800 120.847 -2.047 1
1 891 . 15 1 1 A 75 75 GLU H H 75 8.620 8.619 0.001 1
1 892 . 15 1 1 A 75 75 GLU HA H 75 3.840 3.992 -0.152 1
1 897 . 15 1 1 A 75 75 GLU CA C 75 59.900 59.783 0.117 1
1 898 . 15 1 1 A 75 75 GLU CB C 75 29.400 29.492 -0.092 1
1 900 . 15 1 1 A 75 75 GLU N N 75 119.200 122.114 -2.914 1
1 901 . 15 1 1 A 76 76 SER H H 76 8.380 8.283 0.097 1
1 902 . 15 1 1 A 76 76 SER HA H 76 4.460 4.202 0.258 1
1 905 . 15 1 1 A 76 76 SER CA C 76 62.900 61.457 1.443 1
1 906 . 15 1 1 A 76 76 SER CB C 76 63.000 62.623 0.377 1
1 907 . 15 1 1 A 76 76 SER N N 76 116.000 115.800 0.200 1
1 908 . 15 1 1 A 77 77 VAL H H 77 8.190 7.718 0.472 1
1 909 . 15 1 1 A 77 77 VAL HA H 77 3.290 3.085 0.205 1
1 917 . 15 1 1 A 77 77 VAL CA C 77 66.800 66.681 0.119 1
1 918 . 15 1 1 A 77 77 VAL CB C 77 31.400 31.384 0.016 1
1 921 . 15 1 1 A 77 77 VAL N N 77 122.800 122.699 0.101 1
1 922 . 15 1 1 A 78 78 LEU H H 78 8.590 8.480 0.110 1
1 923 . 15 1 1 A 78 78 LEU HA H 78 4.270 4.028 0.242 1
1 933 . 15 1 1 A 78 78 LEU CA C 78 57.800 58.269 -0.469 1
1 934 . 15 1 1 A 78 78 LEU CB C 78 40.900 40.729 0.171 1
1 938 . 15 1 1 A 78 78 LEU N N 78 116.900 119.371 -2.471 1
1 939 . 15 1 1 A 79 79 ASP H H 79 8.790 8.211 0.579 1
1 940 . 15 1 1 A 79 79 ASP HA H 79 4.730 4.320 0.410 1
1 943 . 15 1 1 A 79 79 ASP CA C 79 57.900 57.374 0.526 1
1 944 . 15 1 1 A 79 79 ASP CB C 79 40.400 41.303 -0.903 1
1 945 . 15 1 1 A 79 79 ASP N N 79 123.800 118.984 4.816 1
1 946 . 15 1 1 A 80 80 TRP H H 80 8.210 8.021 0.189 1
1 947 . 15 1 1 A 80 80 TRP HA H 80 4.380 4.311 0.069 1
1 956 . 15 1 1 A 80 80 TRP CA C 80 61.600 61.375 0.225 1
1 957 . 15 1 1 A 80 80 TRP CB C 80 29.100 29.280 -0.180 1
1 963 . 15 1 1 A 80 80 TRP N N 80 123.700 121.791 1.909 1
1 965 . 15 1 1 A 81 81 ALA H H 81 8.980 8.478 0.502 1
1 966 . 15 1 1 A 81 81 ALA HA H 81 3.850 4.040 -0.190 1
1 970 . 15 1 1 A 81 81 ALA CA C 81 54.500 55.205 -0.705 1
1 971 . 15 1 1 A 81 81 ALA CB C 81 19.600 18.126 1.474 1
1 972 . 15 1 1 A 81 81 ALA N N 81 118.400 120.796 -2.396 1
1 973 . 15 1 1 A 82 82 THR H H 82 7.990 7.843 0.147 1
1 974 . 15 1 1 A 82 82 THR HA H 82 4.310 3.910 0.400 1
1 979 . 15 1 1 A 82 82 THR CA C 82 65.800 66.963 -1.163 1
1 980 . 15 1 1 A 82 82 THR CB C 82 68.800 68.484 0.316 1
1 982 . 15 1 1 A 82 82 THR N N 82 116.400 114.971 1.429 1
1 983 . 15 1 1 A 83 83 VAL H H 83 7.970 8.204 -0.234 1
1 984 . 15 1 1 A 83 83 VAL HA H 83 3.720 3.508 0.212 1
1 992 . 15 1 1 A 83 83 VAL CA C 83 65.900 66.918 -1.018 1
1 993 . 15 1 1 A 83 83 VAL CB C 83 31.400 31.453 -0.053 1
1 996 . 15 1 1 A 83 83 VAL N N 83 123.700 121.210 2.490 1
1 997 . 15 1 1 A 84 84 ARG H H 84 7.300 7.746 -0.446 1
1 998 . 15 1 1 A 84 84 ARG HA H 84 3.740 3.948 -0.208 1
1 1005 . 15 1 1 A 84 84 ARG CA C 84 55.300 56.074 -0.774 1
1 1006 . 15 1 1 A 84 84 ARG CB C 84 29.400 29.980 -0.580 1
1 1009 . 15 1 1 A 84 84 ARG N N 84 115.400 118.091 -2.691 1
1 1010 . 15 1 1 A 85 85 GLY H H 85 7.510 7.484 0.026 1
1 1011 . 15 1 1 A 85 85 GLY HA2 H 85 4.010 3.818 0.192 1
1 1012 . 15 1 1 A 85 85 GLY HA3 H 85 3.830 3.894 -0.064 1
1 1013 . 15 1 1 A 85 85 GLY CA C 85 45.400 45.619 -0.219 1
1 1014 . 15 1 1 A 85 85 GLY N N 85 105.600 107.509 -1.909 1
1 1015 . 15 1 1 A 86 86 TYR H H 86 8.120 8.292 -0.172 1
1 1016 . 15 1 1 A 86 86 TYR HA H 86 4.740 4.452 0.288 1
1 1023 . 15 1 1 A 86 86 TYR CA C 86 55.800 59.211 -3.411 1
1 1024 . 15 1 1 A 86 86 TYR CB C 86 38.000 39.548 -1.548 1
1 1027 . 15 1 1 A 86 86 TYR N N 86 118.700 117.866 0.834 1
1 1028 . 15 1 1 A 87 87 ARG H H 87 7.500 7.724 -0.224 1
1 1029 . 15 1 1 A 87 87 ARG HA H 87 4.710 4.661 0.049 1
1 1037 . 15 1 1 A 87 87 ARG CA C 87 54.100 54.663 -0.563 1
1 1038 . 15 1 1 A 87 87 ARG CB C 87 31.900 32.789 -0.889 1
1 1041 . 15 1 1 A 87 87 ARG N N 87 111.200 115.367 -4.167 1
1 1043 . 15 1 1 A 88 88 GLU H H 88 9.190 8.546 0.644 1
1 1044 . 15 1 1 A 88 88 GLU HA H 88 4.760 4.280 0.480 1
1 1049 . 15 1 1 A 88 88 GLU CA C 88 54.800 57.349 -2.549 1
1 1050 . 15 1 1 A 88 88 GLU CB C 88 32.500 30.122 2.378 1
1 1052 . 15 1 1 A 88 88 GLU N N 88 118.800 120.861 -2.061 1
1 1053 . 15 1 1 A 89 89 GLY H H 89 8.580 8.501 0.079 1
1 1054 . 15 1 1 A 89 89 GLY HA2 H 89 3.850 4.139 -0.289 1
1 1055 . 15 1 1 A 89 89 GLY HA3 H 89 4.500 4.145 0.355 1
1 1056 . 15 1 1 A 89 89 GLY CA C 89 43.700 44.592 -0.892 1
1 1057 . 15 1 1 A 89 89 GLY N N 89 107.900 109.744 -1.844 1
1 1058 . 15 1 1 A 90 90 ASP H H 90 8.630 8.854 -0.224 1
1 1059 . 15 1 1 A 90 90 ASP HA H 90 4.480 4.306 0.174 1
1 1062 . 15 1 1 A 90 90 ASP CA C 90 54.600 54.696 -0.096 1
1 1063 . 15 1 1 A 90 90 ASP CB C 90 40.500 39.446 1.054 1
1 1064 . 15 1 1 A 90 90 ASP N N 90 120.700 120.577 0.123 1
1 1065 . 15 1 1 A 91 91 ASN H H 91 8.930 8.404 0.526 1
1 1066 . 15 1 1 A 91 91 ASN HA H 91 4.580 4.818 -0.238 1
1 1071 . 15 1 1 A 91 91 ASN CA C 91 51.100 50.876 0.224 1
1 1072 . 15 1 1 A 91 91 ASN CB C 91 39.100 39.861 -0.761 1
1 1073 . 15 1 1 A 91 91 ASN N N 91 122.700 123.074 -0.374 1
1 1075 . 15 1 1 A 92 92 PRO HA H 92 4.490 4.328 0.162 1
1 1082 . 15 1 1 A 92 92 PRO CA C 92 63.500 63.669 -0.169 1
1 1083 . 15 1 1 A 92 92 PRO CB C 92 32.300 32.306 -0.006 1
1 1086 . 15 1 1 A 93 93 ALA H H 93 8.610 8.106 0.504 1
1 1087 . 15 1 1 A 93 93 ALA HA H 93 4.450 3.577 0.873 1
1 1091 . 15 1 1 A 93 93 ALA CA C 93 52.000 52.460 -0.460 1
1 1092 . 15 1 1 A 93 93 ALA CB C 93 18.100 18.954 -0.854 1
1 1093 . 15 1 1 A 93 93 ALA N N 93 120.500 118.751 1.749 1
1 1094 . 15 1 1 A 94 94 ARG H H 94 7.280 7.481 -0.201 1
1 1095 . 15 1 1 A 94 94 ARG HA H 94 3.830 4.657 -0.827 1
1 1102 . 15 1 1 A 94 94 ARG CA C 94 55.500 54.882 0.618 1
1 1103 . 15 1 1 A 94 94 ARG CB C 94 30.500 31.384 -0.884 1
1 1106 . 15 1 1 A 94 94 ARG N N 94 118.100 117.593 0.507 1
1 1107 . 15 1 1 A 95 95 TRP H H 95 7.310 9.037 -1.727 1
1 1108 . 15 1 1 A 95 95 TRP HA H 95 4.610 5.176 -0.566 1
1 1117 . 15 1 1 A 95 95 TRP CA C 95 55.200 55.775 -0.575 1
1 1118 . 15 1 1 A 95 95 TRP CB C 95 29.500 32.391 -2.891 1
1 1124 . 15 1 1 A 95 95 TRP N N 95 121.200 124.290 -3.090 1
1 1126 . 15 1 1 A 96 96 ARG H H 96 8.380 9.136 -0.756 1
1 1127 . 15 1 1 A 96 96 ARG HA H 96 4.140 4.343 -0.203 1
1 1134 . 15 1 1 A 96 96 ARG CA C 96 57.200 56.775 0.425 1
1 1135 . 15 1 1 A 96 96 ARG CB C 96 29.900 30.918 -1.018 1
1 1138 . 15 1 1 A 96 96 ARG N N 96 122.100 122.596 -0.496 1
1 1139 . 15 1 1 A 97 97 GLY H H 97 7.920 7.403 0.517 1
1 1140 . 15 1 1 A 97 97 GLY HA2 H 97 3.710 4.051 -0.341 1
1 1141 . 15 1 1 A 97 97 GLY HA3 H 97 3.630 4.076 -0.446 1
1 1142 . 15 1 1 A 97 97 GLY CA C 97 45.700 45.777 -0.077 1
1 1143 . 15 1 1 A 97 97 GLY N N 97 110.500 105.236 5.264 1
1 1144 . 15 1 1 A 98 98 TYR H H 98 7.770 8.826 -1.056 1
1 1145 . 15 1 1 A 98 98 TYR HA H 98 4.090 3.646 0.444 1
1 1152 . 15 1 1 A 98 98 TYR CA C 98 59.900 60.993 -1.093 1
1 1153 . 15 1 1 A 98 98 TYR CB C 98 37.100 39.342 -2.242 1
1 1156 . 15 1 1 A 98 98 TYR N N 98 120.400 125.707 -5.307 1
1 1157 . 15 1 1 A 99 99 LEU H H 99 7.820 7.799 0.021 1
1 1158 . 15 1 1 A 99 99 LEU HA H 99 3.890 4.238 -0.348 1
1 1168 . 15 1 1 A 99 99 LEU CA C 99 55.600 54.493 1.107 1
1 1169 . 15 1 1 A 99 99 LEU CB C 99 41.600 42.670 -1.070 1
1 1173 . 15 1 1 A 99 99 LEU N N 99 120.700 118.621 2.079 1
1 1174 . 15 1 1 A 100 100 GLU H H 100 7.680 8.138 -0.458 1
1 1175 . 15 1 1 A 100 100 GLU HA H 100 3.900 4.406 -0.506 1
1 1180 . 15 1 1 A 100 100 GLU CA C 100 56.500 56.444 0.056 1
1 1181 . 15 1 1 A 100 100 GLU CB C 100 29.500 29.900 -0.400 1
1 13 . 16 1 1 A 2 2 THR H H 2 9.230 8.216 1.014 1
1 14 . 16 1 1 A 2 2 THR HA H 2 5.080 5.194 -0.114 1
1 19 . 16 1 1 A 2 2 THR CA C 2 61.000 59.922 1.078 1
1 20 . 16 1 1 A 2 2 THR CB C 2 70.800 71.985 -1.185 1
1 22 . 16 1 1 A 2 2 THR N N 2 119.100 116.615 2.485 1
1 23 . 16 1 1 A 3 3 PHE H H 3 9.290 9.591 -0.301 1
1 24 . 16 1 1 A 3 3 PHE HA H 3 3.880 4.101 -0.221 1
1 32 . 16 1 1 A 3 3 PHE CA C 3 63.900 62.252 1.648 1
1 33 . 16 1 1 A 3 3 PHE CB C 3 38.800 39.357 -0.557 1
1 37 . 16 1 1 A 3 3 PHE N N 3 122.600 123.807 -1.207 1
1 38 . 16 1 1 A 4 4 SER H H 4 9.930 8.083 1.847 1
1 39 . 16 1 1 A 4 4 SER HA H 4 4.000 4.157 -0.157 1
1 42 . 16 1 1 A 4 4 SER CA C 4 62.800 61.911 0.889 1
1 43 . 16 1 1 A 4 4 SER CB C 4 62.600 62.712 -0.112 1
1 44 . 16 1 1 A 4 4 SER N N 4 116.300 116.431 -0.131 1
1 45 . 16 1 1 A 5 5 GLU H H 5 7.980 7.376 0.604 1
1 46 . 16 1 1 A 5 5 GLU HA H 5 3.990 4.021 -0.031 1
1 51 . 16 1 1 A 5 5 GLU CA C 5 58.800 58.988 -0.188 1
1 52 . 16 1 1 A 5 5 GLU CB C 5 29.700 29.870 -0.170 1
1 54 . 16 1 1 A 5 5 GLU N N 5 122.800 121.093 1.707 1
1 55 . 16 1 1 A 6 6 CYS H H 6 8.430 7.903 0.527 1
1 56 . 16 1 1 A 6 6 CYS HA H 6 4.120 4.119 0.001 1
1 59 . 16 1 1 A 6 6 CYS CA C 6 63.300 61.525 1.775 1
1 60 . 16 1 1 A 6 6 CYS CB C 6 27.100 27.026 0.074 1
1 61 . 16 1 1 A 6 6 CYS N N 6 120.100 119.467 0.633 1
1 62 . 16 1 1 A 7 7 ALA H H 7 8.770 8.236 0.534 1
1 63 . 16 1 1 A 7 7 ALA HA H 7 3.790 3.877 -0.087 1
1 67 . 16 1 1 A 7 7 ALA CA C 7 55.200 54.911 0.289 1
1 68 . 16 1 1 A 7 7 ALA CB C 7 17.400 17.912 -0.512 1
1 69 . 16 1 1 A 7 7 ALA N N 7 120.400 122.472 -2.072 1
1 70 . 16 1 1 A 8 8 ALA H H 8 7.800 8.147 -0.347 1
1 71 . 16 1 1 A 8 8 ALA HA H 8 4.130 4.122 0.008 1
1 75 . 16 1 1 A 8 8 ALA CA C 8 55.200 55.033 0.167 1
1 76 . 16 1 1 A 8 8 ALA CB C 8 17.700 18.285 -0.585 1
1 77 . 16 1 1 A 8 8 ALA N N 8 119.200 121.006 -1.806 1
1 78 . 16 1 1 A 9 9 LEU H H 9 8.120 8.042 0.078 1
1 79 . 16 1 1 A 9 9 LEU HA H 9 4.080 3.889 0.191 1
1 89 . 16 1 1 A 9 9 LEU CA C 9 57.700 57.697 0.003 1
1 90 . 16 1 1 A 9 9 LEU CB C 9 42.000 42.186 -0.186 1
1 94 . 16 1 1 A 9 9 LEU N N 9 120.300 118.850 1.450 1
1 95 . 16 1 1 A 10 10 TYR H H 10 8.700 7.904 0.796 1
1 96 . 16 1 1 A 10 10 TYR HA H 10 2.330 3.083 -0.753 1
1 103 . 16 1 1 A 10 10 TYR CA C 10 62.000 60.969 1.031 1
1 104 . 16 1 1 A 10 10 TYR CB C 10 38.100 38.104 -0.004 1
1 107 . 16 1 1 A 10 10 TYR N N 10 122.900 118.199 4.701 1
1 108 . 16 1 1 A 11 11 ILE H H 11 8.600 8.134 0.466 1
1 109 . 16 1 1 A 11 11 ILE HA H 11 3.270 3.019 0.251 1
1 119 . 16 1 1 A 11 11 ILE CA C 11 65.600 64.586 1.014 1
1 120 . 16 1 1 A 11 11 ILE CB C 11 38.200 37.666 0.534 1
1 124 . 16 1 1 A 11 11 ILE N N 11 123.900 120.626 3.274 1
1 125 . 16 1 1 A 12 12 LYS H H 12 7.910 8.415 -0.505 1
1 126 . 16 1 1 A 12 12 LYS HA H 12 3.870 3.916 -0.046 1
1 135 . 16 1 1 A 12 12 LYS CA C 12 59.900 59.189 0.711 1
1 136 . 16 1 1 A 12 12 LYS CB C 12 32.600 32.020 0.580 1
1 140 . 16 1 1 A 12 12 LYS N N 12 120.600 119.543 1.057 1
1 141 . 16 1 1 A 13 13 ALA H H 13 7.790 7.604 0.186 1
1 142 . 16 1 1 A 13 13 ALA HA H 13 4.100 3.923 0.177 1
1 146 . 16 1 1 A 13 13 ALA CA C 13 53.200 53.805 -0.605 1
1 147 . 16 1 1 A 13 13 ALA CB C 13 18.200 18.119 0.081 1
1 148 . 16 1 1 A 13 13 ALA N N 13 118.100 120.467 -2.367 1
1 149 . 16 1 1 A 14 14 HIS H H 14 7.160 7.058 0.102 1
1 150 . 16 1 1 A 14 14 HIS HA H 14 3.990 4.414 -0.424 1
1 155 . 16 1 1 A 14 14 HIS CA C 14 56.500 54.907 1.593 1
1 156 . 16 1 1 A 14 14 HIS CB C 14 27.000 29.497 -2.497 1
1 159 . 16 1 1 A 14 14 HIS N N 14 113.200 115.506 -2.306 1
1 160 . 16 1 1 A 15 15 ARG H H 15 7.420 7.596 -0.176 1
1 161 . 16 1 1 A 15 15 ARG HA H 15 3.760 3.802 -0.042 1
1 168 . 16 1 1 A 15 15 ARG CA C 15 59.800 58.508 1.292 1
1 169 . 16 1 1 A 15 15 ARG CB C 15 29.800 29.625 0.175 1
1 172 . 16 1 1 A 15 15 ARG N N 15 121.100 119.906 1.194 1
1 173 . 16 1 1 A 16 16 SER H H 16 8.540 7.820 0.720 1
1 174 . 16 1 1 A 16 16 SER HA H 16 4.230 4.207 0.023 1
1 177 . 16 1 1 A 16 16 SER CA C 16 60.800 61.235 -0.435 1
1 178 . 16 1 1 A 16 16 SER CB C 16 62.200 63.201 -1.001 1
1 179 . 16 1 1 A 16 16 SER N N 16 114.100 117.393 -3.293 1
1 180 . 16 1 1 A 17 17 SER H H 17 7.680 7.816 -0.136 1
1 181 . 16 1 1 A 17 17 SER HA H 17 4.370 4.486 -0.116 1
1 184 . 16 1 1 A 17 17 SER CA C 17 59.800 59.762 0.038 1
1 185 . 16 1 1 A 17 17 SER CB C 17 63.100 63.720 -0.620 1
1 186 . 16 1 1 A 17 17 SER N N 17 116.700 116.465 0.235 1
1 187 . 16 1 1 A 18 18 TRP H H 18 7.640 7.433 0.207 1
1 188 . 16 1 1 A 18 18 TRP HA H 18 4.990 4.806 0.184 1
1 197 . 16 1 1 A 18 18 TRP CA C 18 55.200 56.676 -1.476 1
1 198 . 16 1 1 A 18 18 TRP CB C 18 29.500 28.776 0.724 1
1 204 . 16 1 1 A 18 18 TRP N N 18 121.200 119.248 1.952 1
1 206 . 16 1 1 A 19 19 LYS H H 19 7.920 7.537 0.383 1
1 207 . 16 1 1 A 19 19 LYS HA H 19 4.180 4.217 -0.037 1
1 216 . 16 1 1 A 19 19 LYS CA C 19 58.100 56.378 1.722 1
1 217 . 16 1 1 A 19 19 LYS CB C 19 32.200 32.989 -0.789 1
1 221 . 16 1 1 A 19 19 LYS N N 19 121.100 120.775 0.325 1
1 222 . 16 1 1 A 20 20 ASN H H 20 8.630 8.477 0.153 1
1 223 . 16 1 1 A 20 20 ASN HA H 20 4.760 4.896 -0.136 1
1 228 . 16 1 1 A 20 20 ASN CA C 20 53.600 52.458 1.142 1
1 229 . 16 1 1 A 20 20 ASN CB C 20 38.200 39.789 -1.589 1
1 230 . 16 1 1 A 20 20 ASN N N 20 116.500 120.926 -4.426 1
1 232 . 16 1 1 A 21 21 THR H H 21 8.320 8.602 -0.282 1
1 233 . 16 1 1 A 21 21 THR HA H 21 4.470 4.351 0.119 1
1 238 . 16 1 1 A 21 21 THR CA C 21 62.500 62.206 0.294 1
1 239 . 16 1 1 A 21 21 THR CB C 21 70.700 68.867 1.833 1
1 241 . 16 1 1 A 21 21 THR N N 21 113.700 120.595 -6.895 1
1 242 . 16 1 1 A 22 22 LYS H H 22 8.440 8.712 -0.272 1
1 243 . 16 1 1 A 22 22 LYS HA H 22 4.500 4.574 -0.074 1
1 252 . 16 1 1 A 22 22 LYS CA C 22 56.700 56.756 -0.056 1
1 253 . 16 1 1 A 22 22 LYS CB C 22 31.700 32.205 -0.505 1
1 257 . 16 1 1 A 22 22 LYS N N 22 120.900 121.596 -0.696 1
1 258 . 16 1 1 A 23 23 HIS H H 23 8.110 8.404 -0.294 1
1 259 . 16 1 1 A 23 23 HIS HA H 23 4.450 4.385 0.065 1
1 264 . 16 1 1 A 23 23 HIS CA C 23 57.300 59.340 -2.040 1
1 265 . 16 1 1 A 23 23 HIS CB C 23 27.900 29.354 -1.454 1
1 268 . 16 1 1 A 23 23 HIS N N 23 116.800 118.843 -2.043 1
1 269 . 16 1 1 A 24 24 ALA H H 24 8.490 8.470 0.020 1
1 270 . 16 1 1 A 24 24 ALA HA H 24 4.000 4.308 -0.308 1
1 274 . 16 1 1 A 24 24 ALA CA C 24 55.700 55.367 0.333 1
1 275 . 16 1 1 A 24 24 ALA CB C 24 18.000 18.310 -0.310 1
1 276 . 16 1 1 A 24 24 ALA N N 24 121.700 122.511 -0.811 1
1 277 . 16 1 1 A 25 25 ASP H H 25 8.370 8.298 0.072 1
1 278 . 16 1 1 A 25 25 ASP HA H 25 4.450 4.441 0.009 1
1 281 . 16 1 1 A 25 25 ASP CA C 25 56.800 57.363 -0.563 1
1 282 . 16 1 1 A 25 25 ASP CB C 25 40.200 41.159 -0.959 1
1 283 . 16 1 1 A 25 25 ASP N N 25 119.100 118.517 0.583 1
1 284 . 16 1 1 A 26 26 GLN H H 26 8.020 8.455 -0.435 1
1 285 . 16 1 1 A 26 26 GLN HA H 26 4.250 4.072 0.178 1
1 292 . 16 1 1 A 26 26 GLN CA C 26 58.600 59.142 -0.542 1
1 293 . 16 1 1 A 26 26 GLN CB C 26 28.500 28.322 0.178 1
1 295 . 16 1 1 A 26 26 GLN N N 26 119.500 117.758 1.742 1
1 297 . 16 1 1 A 27 27 TRP H H 27 8.610 8.204 0.406 1
1 298 . 16 1 1 A 27 27 TRP HA H 27 3.840 4.497 -0.657 1
1 307 . 16 1 1 A 27 27 TRP CA C 27 62.400 59.843 2.557 1
1 308 . 16 1 1 A 27 27 TRP CB C 27 28.300 29.213 -0.913 1
1 314 . 16 1 1 A 27 27 TRP N N 27 122.000 121.410 0.590 1
1 316 . 16 1 1 A 28 28 THR H H 28 8.460 8.565 -0.105 1
1 317 . 16 1 1 A 28 28 THR HA H 28 3.790 4.074 -0.284 1
1 322 . 16 1 1 A 28 28 THR CA C 28 67.000 67.570 -0.570 1
1 323 . 16 1 1 A 28 28 THR CB C 28 68.900 68.801 0.099 1
1 325 . 16 1 1 A 28 28 THR N N 28 114.800 115.397 -0.597 1
1 326 . 16 1 1 A 29 29 ASN H H 29 8.650 8.914 -0.264 1
1 327 . 16 1 1 A 29 29 ASN HA H 29 4.530 4.407 0.123 1
1 332 . 16 1 1 A 29 29 ASN CA C 29 56.600 56.549 0.051 1
1 333 . 16 1 1 A 29 29 ASN CB C 29 38.400 39.011 -0.611 1
1 334 . 16 1 1 A 29 29 ASN N N 29 118.500 119.833 -1.333 1
1 336 . 16 1 1 A 30 30 THR H H 30 8.170 8.046 0.124 1
1 337 . 16 1 1 A 30 30 THR HA H 30 4.160 4.091 0.069 1
1 342 . 16 1 1 A 30 30 THR CA C 30 66.100 65.963 0.137 1
1 343 . 16 1 1 A 30 30 THR CB C 30 69.300 68.243 1.057 1
1 345 . 16 1 1 A 30 30 THR N N 30 113.100 113.382 -0.282 1
1 346 . 16 1 1 A 31 31 ILE H H 31 8.030 7.976 0.054 1
1 347 . 16 1 1 A 31 31 ILE HA H 31 3.850 3.717 0.133 1
1 357 . 16 1 1 A 31 31 ILE CA C 31 65.200 65.178 0.022 1
1 358 . 16 1 1 A 31 31 ILE CB C 31 36.300 37.634 -1.334 1
1 362 . 16 1 1 A 31 31 ILE N N 31 122.000 124.266 -2.266 1
1 363 . 16 1 1 A 32 32 LYS H H 32 8.320 8.257 0.063 1
1 364 . 16 1 1 A 32 32 LYS HA H 32 4.090 4.189 -0.099 1
1 373 . 16 1 1 A 32 32 LYS CA C 32 60.500 59.348 1.152 1
1 374 . 16 1 1 A 32 32 LYS CB C 32 32.500 32.068 0.432 1
1 378 . 16 1 1 A 32 32 LYS N N 32 121.300 121.422 -0.122 1
1 379 . 16 1 1 A 33 33 THR H H 33 8.160 7.431 0.729 1
1 380 . 16 1 1 A 33 33 THR HA H 33 3.690 3.941 -0.251 1
1 385 . 16 1 1 A 33 33 THR CA C 33 66.500 66.285 0.215 1
1 386 . 16 1 1 A 33 33 THR CB C 33 69.200 68.988 0.212 1
1 388 . 16 1 1 A 33 33 THR N N 33 113.400 116.341 -2.941 1
1 389 . 16 1 1 A 34 34 TYR H H 34 7.640 8.082 -0.442 1
1 390 . 16 1 1 A 34 34 TYR HA H 34 4.670 4.369 0.301 1
1 397 . 16 1 1 A 34 34 TYR CA C 34 59.800 60.431 -0.631 1
1 398 . 16 1 1 A 34 34 TYR CB C 34 39.800 38.951 0.849 1
1 401 . 16 1 1 A 34 34 TYR N N 34 113.700 118.866 -5.166 1
1 402 . 16 1 1 A 35 35 CYS H H 35 8.170 8.544 -0.374 1
1 403 . 16 1 1 A 35 35 CYS HA H 35 4.470 4.383 0.087 1
1 406 . 16 1 1 A 35 35 CYS CA C 35 60.700 61.909 -1.209 1
1 407 . 16 1 1 A 35 35 CYS CB C 35 27.700 27.708 -0.008 1
1 408 . 16 1 1 A 35 35 CYS N N 35 113.100 118.429 -5.329 1
1 409 . 16 1 1 A 36 36 GLY H H 36 8.110 8.047 0.063 1
1 410 . 16 1 1 A 36 36 GLY HA2 H 36 3.880 3.833 0.047 1
1 411 . 16 1 1 A 36 36 GLY HA3 H 36 4.480 3.874 0.606 1
1 412 . 16 1 1 A 36 36 GLY CA C 36 49.400 48.264 1.136 1
1 413 . 16 1 1 A 36 36 GLY N N 36 110.800 109.507 1.293 1
1 414 . 16 1 1 A 37 37 PRO HA H 37 4.470 4.389 0.081 1
1 421 . 16 1 1 A 37 37 PRO CA C 37 64.400 64.886 -0.486 1
1 422 . 16 1 1 A 37 37 PRO CB C 37 32.700 31.496 1.204 1
1 425 . 16 1 1 A 38 38 VAL H H 38 7.270 7.614 -0.344 1
1 426 . 16 1 1 A 38 38 VAL HA H 38 4.190 4.017 0.173 1
1 434 . 16 1 1 A 38 38 VAL CA C 38 63.600 63.290 0.310 1
1 435 . 16 1 1 A 38 38 VAL CB C 38 34.800 32.486 2.314 1
1 438 . 16 1 1 A 38 38 VAL N N 38 113.900 115.463 -1.563 1
1 439 . 16 1 1 A 39 39 ILE H H 39 7.590 7.985 -0.395 1
1 440 . 16 1 1 A 39 39 ILE HA H 39 4.590 4.435 0.155 1
1 450 . 16 1 1 A 39 39 ILE CA C 39 60.500 60.529 -0.029 1
1 451 . 16 1 1 A 39 39 ILE CB C 39 39.500 38.285 1.215 1
1 455 . 16 1 1 A 39 39 ILE N N 39 107.400 114.723 -7.323 1
1 456 . 16 1 1 A 40 40 GLY H H 40 7.670 8.146 -0.476 1
1 457 . 16 1 1 A 40 40 GLY HA2 H 40 4.040 3.897 0.143 1
1 458 . 16 1 1 A 40 40 GLY HA3 H 40 4.430 4.019 0.411 1
1 459 . 16 1 1 A 40 40 GLY CA C 40 49.400 48.270 1.130 1
1 460 . 16 1 1 A 40 40 GLY N N 40 109.200 112.434 -3.234 1
1 461 . 16 1 1 A 41 41 PRO HA H 41 4.770 4.498 0.272 1
1 468 . 16 1 1 A 41 41 PRO CA C 41 63.200 63.959 -0.759 1
1 469 . 16 1 1 A 41 41 PRO CB C 41 31.800 31.693 0.107 1
1 472 . 16 1 1 A 42 42 LEU H H 42 7.540 7.469 0.071 1
1 473 . 16 1 1 A 42 42 LEU HA H 42 4.320 4.513 -0.193 1
1 483 . 16 1 1 A 42 42 LEU CA C 42 54.000 53.676 0.324 1
1 484 . 16 1 1 A 42 42 LEU CB C 42 42.000 42.916 -0.916 1
1 488 . 16 1 1 A 42 42 LEU N N 42 119.600 120.639 -1.039 1
1 489 . 16 1 1 A 43 43 SER H H 43 8.880 8.623 0.257 1
1 490 . 16 1 1 A 43 43 SER HA H 43 4.510 4.729 -0.219 1
1 493 . 16 1 1 A 43 43 SER CA C 43 58.600 58.527 0.073 1
1 494 . 16 1 1 A 43 43 SER CB C 43 63.000 63.613 -0.613 1
1 495 . 16 1 1 A 43 43 SER N N 43 116.100 116.307 -0.207 1
1 496 . 16 1 1 A 44 44 VAL H H 44 9.020 8.619 0.401 1
1 497 . 16 1 1 A 44 44 VAL HA H 44 3.920 4.220 -0.300 1
1 505 . 16 1 1 A 44 44 VAL CA C 44 65.900 64.739 1.161 1
1 506 . 16 1 1 A 44 44 VAL CB C 44 32.100 31.994 0.106 1
1 509 . 16 1 1 A 44 44 VAL N N 44 124.400 126.881 -2.481 1
1 510 . 16 1 1 A 45 45 GLN H H 45 8.700 7.853 0.847 1
1 511 . 16 1 1 A 45 45 GLN HA H 45 4.170 4.020 0.150 1
1 518 . 16 1 1 A 45 45 GLN CA C 45 57.400 59.036 -1.636 1
1 519 . 16 1 1 A 45 45 GLN CB C 45 29.000 28.477 0.523 1
1 521 . 16 1 1 A 45 45 GLN N N 45 120.500 121.444 -0.944 1
1 523 . 16 1 1 A 46 46 ASP H H 46 7.870 8.125 -0.255 1
1 524 . 16 1 1 A 46 46 ASP HA H 46 4.720 4.491 0.229 1
1 527 . 16 1 1 A 46 46 ASP CA C 46 54.400 55.940 -1.540 1
1 528 . 16 1 1 A 46 46 ASP CB C 46 40.800 40.949 -0.149 1
1 529 . 16 1 1 A 46 46 ASP N N 46 117.200 119.596 -2.396 1
1 530 . 16 1 1 A 47 47 VAL H H 47 6.970 6.970 0.000 1
1 531 . 16 1 1 A 47 47 VAL HA H 47 3.490 3.852 -0.362 1
1 539 . 16 1 1 A 47 47 VAL CA C 47 65.200 63.113 2.087 1
1 540 . 16 1 1 A 47 47 VAL CB C 47 31.100 31.377 -0.277 1
1 543 . 16 1 1 A 47 47 VAL N N 47 118.500 120.759 -2.259 1
1 544 . 16 1 1 A 48 48 ASP H H 48 7.220 8.411 -1.191 1
1 545 . 16 1 1 A 48 48 ASP HA H 48 4.910 4.896 0.014 1
1 548 . 16 1 1 A 48 48 ASP CA C 48 51.600 52.440 -0.840 1
1 549 . 16 1 1 A 48 48 ASP CB C 48 42.700 44.333 -1.633 1
1 550 . 16 1 1 A 48 48 ASP N N 48 128.000 128.117 -0.117 1
1 551 . 16 1 1 A 49 49 THR H H 49 8.490 8.356 0.134 1
1 552 . 16 1 1 A 49 49 THR HA H 49 3.770 3.670 0.100 1
1 557 . 16 1 1 A 49 49 THR CA C 49 67.300 66.841 0.459 1
1 558 . 16 1 1 A 49 49 THR CB C 49 68.900 68.640 0.260 1
1 560 . 16 1 1 A 49 49 THR N N 49 115.800 116.854 -1.054 1
1 561 . 16 1 1 A 50 50 LYS H H 50 7.860 8.164 -0.304 1
1 562 . 16 1 1 A 50 50 LYS HA H 50 3.860 4.038 -0.178 1
1 571 . 16 1 1 A 50 50 LYS CA C 50 60.000 59.665 0.335 1
1 572 . 16 1 1 A 50 50 LYS CB C 50 31.600 31.296 0.304 1
1 576 . 16 1 1 A 50 50 LYS N N 50 120.500 121.264 -0.764 1
1 577 . 16 1 1 A 51 51 LEU H H 51 8.190 8.074 0.116 1
1 578 . 16 1 1 A 51 51 LEU HA H 51 4.050 4.052 -0.002 1
1 588 . 16 1 1 A 51 51 LEU CA C 51 57.600 57.989 -0.389 1
1 589 . 16 1 1 A 51 51 LEU CB C 51 42.400 41.701 0.699 1
1 593 . 16 1 1 A 51 51 LEU N N 51 120.600 119.118 1.482 1
1 594 . 16 1 1 A 52 52 ILE H H 52 7.850 8.073 -0.223 1
1 595 . 16 1 1 A 52 52 ILE HA H 52 3.440 3.561 -0.121 1
1 605 . 16 1 1 A 52 52 ILE CA C 52 65.200 64.889 0.311 1
1 606 . 16 1 1 A 52 52 ILE CB C 52 36.700 37.772 -1.072 1
1 610 . 16 1 1 A 52 52 ILE N N 52 118.600 119.684 -1.084 1
1 611 . 16 1 1 A 53 53 MET H H 53 8.540 8.522 0.018 1
1 612 . 16 1 1 A 53 53 MET HA H 53 4.040 4.171 -0.131 1
1 620 . 16 1 1 A 53 53 MET CA C 53 59.000 58.639 0.361 1
1 621 . 16 1 1 A 53 53 MET CB C 53 31.300 32.653 -1.353 1
1 624 . 16 1 1 A 53 53 MET N N 53 118.600 119.911 -1.311 1
1 625 . 16 1 1 A 54 54 LYS H H 54 7.620 7.609 0.011 1
1 626 . 16 1 1 A 54 54 LYS HA H 54 4.140 4.085 0.055 1
1 635 . 16 1 1 A 54 54 LYS CA C 54 59.200 58.944 0.256 1
1 636 . 16 1 1 A 54 54 LYS CB C 54 32.300 32.658 -0.358 1
1 640 . 16 1 1 A 54 54 LYS N N 54 119.100 120.782 -1.682 1
1 641 . 16 1 1 A 55 55 VAL H H 55 7.560 8.068 -0.508 1
1 642 . 16 1 1 A 55 55 VAL HA H 55 3.670 3.682 -0.012 1
1 650 . 16 1 1 A 55 55 VAL CA C 55 65.600 66.237 -0.637 1
1 651 . 16 1 1 A 55 55 VAL CB C 55 31.900 31.684 0.216 1
1 654 . 16 1 1 A 55 55 VAL N N 55 117.200 119.983 -2.783 1
1 655 . 16 1 1 A 56 56 LEU H H 56 7.790 8.202 -0.412 1
1 656 . 16 1 1 A 56 56 LEU HA H 56 3.900 3.979 -0.079 1
1 666 . 16 1 1 A 56 56 LEU CA C 56 56.400 57.513 -1.113 1
1 667 . 16 1 1 A 56 56 LEU CB C 56 42.700 41.480 1.220 1
1 671 . 16 1 1 A 56 56 LEU N N 56 114.400 118.647 -4.247 1
1 672 . 16 1 1 A 57 57 ASP H H 57 8.850 8.012 0.838 1
1 673 . 16 1 1 A 57 57 ASP HA H 57 4.140 4.578 -0.438 1
1 676 . 16 1 1 A 57 57 ASP CA C 57 59.100 59.371 -0.271 1
1 677 . 16 1 1 A 57 57 ASP CB C 57 38.200 38.232 -0.032 1
1 678 . 16 1 1 A 57 57 ASP N N 57 120.500 121.386 -0.886 1
1 679 . 16 1 1 A 58 58 PRO HA H 58 4.520 4.464 0.056 1
1 686 . 16 1 1 A 58 58 PRO CA C 58 65.300 64.954 0.346 1
1 687 . 16 1 1 A 58 58 PRO CB C 58 31.700 31.483 0.217 1
1 690 . 16 1 1 A 59 59 ILE H H 59 7.400 7.435 -0.035 1
1 691 . 16 1 1 A 59 59 ILE HA H 59 4.060 3.900 0.160 1
1 701 . 16 1 1 A 59 59 ILE CA C 59 62.300 63.818 -1.518 1
1 702 . 16 1 1 A 59 59 ILE CB C 59 39.300 36.575 2.725 1
1 706 . 16 1 1 A 59 59 ILE N N 59 113.300 116.546 -3.246 1
1 707 . 16 1 1 A 60 60 TRP H H 60 8.000 8.020 -0.020 1
1 708 . 16 1 1 A 60 60 TRP HA H 60 3.830 4.406 -0.576 1
1 717 . 16 1 1 A 60 60 TRP CA C 60 61.300 60.184 1.116 1
1 718 . 16 1 1 A 60 60 TRP CB C 60 29.700 29.236 0.464 1
1 724 . 16 1 1 A 60 60 TRP N N 60 120.900 121.026 -0.126 1
1 726 . 16 1 1 A 61 61 GLU H H 61 7.840 8.030 -0.190 1
1 727 . 16 1 1 A 61 61 GLU HA H 61 4.110 4.272 -0.162 1
1 732 . 16 1 1 A 61 61 GLU CA C 61 58.100 59.666 -1.566 1
1 733 . 16 1 1 A 61 61 GLU CB C 61 29.500 29.774 -0.274 1
1 735 . 16 1 1 A 61 61 GLU N N 61 112.300 120.614 -8.314 1
1 736 . 16 1 1 A 62 62 GLN H H 62 7.710 7.522 0.188 1
1 737 . 16 1 1 A 62 62 GLN HA H 62 4.400 4.165 0.235 1
1 744 . 16 1 1 A 62 62 GLN CA C 62 57.200 58.266 -1.066 1
1 745 . 16 1 1 A 62 62 GLN CB C 62 30.800 29.594 1.206 1
1 747 . 16 1 1 A 62 62 GLN N N 62 115.200 118.663 -3.463 1
1 749 . 16 1 1 A 63 63 LYS H H 63 8.500 8.189 0.311 1
1 750 . 16 1 1 A 63 63 LYS HA H 63 4.860 4.730 0.130 1
1 759 . 16 1 1 A 63 63 LYS CA C 63 53.300 53.840 -0.540 1
1 760 . 16 1 1 A 63 63 LYS CB C 63 33.800 32.699 1.101 1
1 764 . 16 1 1 A 63 63 LYS N N 63 117.800 118.254 -0.454 1
1 765 . 16 1 1 A 64 64 PRO HA H 64 4.110 4.240 -0.130 1
1 772 . 16 1 1 A 64 64 PRO CA C 64 66.000 64.853 1.147 1
1 773 . 16 1 1 A 64 64 PRO CB C 64 31.500 32.233 -0.733 1
1 776 . 16 1 1 A 65 65 GLU H H 65 8.680 8.154 0.526 1
1 777 . 16 1 1 A 65 65 GLU HA H 65 4.120 4.051 0.069 1
1 782 . 16 1 1 A 65 65 GLU CA C 65 59.300 59.679 -0.379 1
1 783 . 16 1 1 A 65 65 GLU CB C 65 28.500 29.346 -0.846 1
1 785 . 16 1 1 A 65 65 GLU N N 65 117.800 117.991 -0.191 1
1 786 . 16 1 1 A 66 66 THR H H 66 7.370 8.000 -0.630 1
1 787 . 16 1 1 A 66 66 THR HA H 66 3.820 3.689 0.131 1
1 792 . 16 1 1 A 66 66 THR CA C 66 66.200 66.084 0.116 1
1 793 . 16 1 1 A 66 66 THR CB C 66 68.200 68.387 -0.187 1
1 795 . 16 1 1 A 66 66 THR N N 66 117.800 117.021 0.779 1
1 796 . 16 1 1 A 67 67 ALA H H 67 7.890 8.029 -0.139 1
1 797 . 16 1 1 A 67 67 ALA HA H 67 3.380 3.544 -0.164 1
1 801 . 16 1 1 A 67 67 ALA CA C 67 55.200 54.787 0.413 1
1 802 . 16 1 1 A 67 67 ALA CB C 67 17.400 16.924 0.476 1
1 803 . 16 1 1 A 67 67 ALA N N 67 123.900 123.791 0.109 1
1 804 . 16 1 1 A 68 68 SER H H 68 7.920 7.674 0.246 1
1 805 . 16 1 1 A 68 68 SER HA H 68 4.070 4.073 -0.003 1
1 808 . 16 1 1 A 68 68 SER CA C 68 61.200 61.148 0.052 1
1 809 . 16 1 1 A 68 68 SER CB C 68 62.700 63.017 -0.317 1
1 810 . 16 1 1 A 68 68 SER N N 68 111.500 113.066 -1.566 1
1 811 . 16 1 1 A 69 69 ARG H H 69 7.840 7.278 0.562 1
1 812 . 16 1 1 A 69 69 ARG HA H 69 4.010 3.969 0.041 1
1 819 . 16 1 1 A 69 69 ARG CA C 69 58.700 58.804 -0.104 1
1 820 . 16 1 1 A 69 69 ARG CB C 69 30.000 29.753 0.247 1
1 823 . 16 1 1 A 69 69 ARG N N 69 121.200 121.941 -0.741 1
1 824 . 16 1 1 A 70 70 LEU H H 70 8.490 8.363 0.127 1
1 825 . 16 1 1 A 70 70 LEU HA H 70 3.740 3.889 -0.149 1
1 835 . 16 1 1 A 70 70 LEU CA C 70 57.500 57.448 0.052 1
1 836 . 16 1 1 A 70 70 LEU CB C 70 41.100 41.605 -0.505 1
1 840 . 16 1 1 A 70 70 LEU N N 70 121.100 120.967 0.133 1
1 841 . 16 1 1 A 71 71 ARG H H 71 8.460 7.688 0.772 1
1 842 . 16 1 1 A 71 71 ARG HA H 71 3.540 3.921 -0.381 1
1 850 . 16 1 1 A 71 71 ARG CA C 71 60.700 59.806 0.894 1
1 851 . 16 1 1 A 71 71 ARG CB C 71 28.000 29.887 -1.887 1
1 854 . 16 1 1 A 71 71 ARG N N 71 119.800 119.416 0.384 1
1 856 . 16 1 1 A 72 72 GLY H H 72 7.530 7.925 -0.395 1
1 857 . 16 1 1 A 72 72 GLY HA2 H 72 3.980 3.700 0.280 1
1 858 . 16 1 1 A 72 72 GLY HA3 H 72 3.870 3.755 0.115 1
1 859 . 16 1 1 A 72 72 GLY CA C 72 47.100 47.081 0.019 1
1 860 . 16 1 1 A 72 72 GLY N N 72 103.400 106.947 -3.547 1
1 861 . 16 1 1 A 73 73 ARG H H 73 7.800 7.606 0.194 1
1 862 . 16 1 1 A 73 73 ARG HA H 73 3.930 3.763 0.167 1
1 869 . 16 1 1 A 73 73 ARG CA C 73 59.400 59.004 0.396 1
1 870 . 16 1 1 A 73 73 ARG CB C 73 29.500 29.903 -0.403 1
1 873 . 16 1 1 A 73 73 ARG N N 73 122.800 121.807 0.993 1
1 874 . 16 1 1 A 74 74 ILE H H 74 8.420 8.391 0.029 1
1 875 . 16 1 1 A 74 74 ILE HA H 74 3.440 3.847 -0.407 1
1 885 . 16 1 1 A 74 74 ILE CA C 74 66.500 65.798 0.702 1
1 886 . 16 1 1 A 74 74 ILE CB C 74 38.300 37.742 0.558 1
1 890 . 16 1 1 A 74 74 ILE N N 74 118.800 120.645 -1.845 1
1 891 . 16 1 1 A 75 75 GLU H H 75 8.620 8.711 -0.091 1
1 892 . 16 1 1 A 75 75 GLU HA H 75 3.840 4.005 -0.165 1
1 897 . 16 1 1 A 75 75 GLU CA C 75 59.900 59.763 0.137 1
1 898 . 16 1 1 A 75 75 GLU CB C 75 29.400 29.452 -0.052 1
1 900 . 16 1 1 A 75 75 GLU N N 75 119.200 121.765 -2.565 1
1 901 . 16 1 1 A 76 76 SER H H 76 8.380 8.043 0.337 1
1 902 . 16 1 1 A 76 76 SER HA H 76 4.460 4.157 0.303 1
1 905 . 16 1 1 A 76 76 SER CA C 76 62.900 62.733 0.167 1
1 906 . 16 1 1 A 76 76 SER CB C 76 63.000 63.155 -0.155 1
1 907 . 16 1 1 A 76 76 SER N N 76 116.000 117.122 -1.122 1
1 908 . 16 1 1 A 77 77 VAL H H 77 8.190 7.829 0.361 1
1 909 . 16 1 1 A 77 77 VAL HA H 77 3.290 3.237 0.053 1
1 917 . 16 1 1 A 77 77 VAL CA C 77 66.800 66.723 0.077 1
1 918 . 16 1 1 A 77 77 VAL CB C 77 31.400 31.608 -0.208 1
1 921 . 16 1 1 A 77 77 VAL N N 77 122.800 121.693 1.107 1
1 922 . 16 1 1 A 78 78 LEU H H 78 8.590 8.544 0.046 1
1 923 . 16 1 1 A 78 78 LEU HA H 78 4.270 4.072 0.198 1
1 933 . 16 1 1 A 78 78 LEU CA C 78 57.800 58.355 -0.555 1
1 934 . 16 1 1 A 78 78 LEU CB C 78 40.900 40.666 0.234 1
1 938 . 16 1 1 A 78 78 LEU N N 78 116.900 118.917 -2.017 1
1 939 . 16 1 1 A 79 79 ASP H H 79 8.790 8.817 -0.027 1
1 940 . 16 1 1 A 79 79 ASP HA H 79 4.730 4.307 0.423 1
1 943 . 16 1 1 A 79 79 ASP CA C 79 57.900 57.342 0.558 1
1 944 . 16 1 1 A 79 79 ASP CB C 79 40.400 41.657 -1.257 1
1 945 . 16 1 1 A 79 79 ASP N N 79 123.800 119.035 4.765 1
1 946 . 16 1 1 A 80 80 TRP H H 80 8.210 8.009 0.201 1
1 947 . 16 1 1 A 80 80 TRP HA H 80 4.380 4.320 0.060 1
1 956 . 16 1 1 A 80 80 TRP CA C 80 61.600 61.343 0.257 1
1 957 . 16 1 1 A 80 80 TRP CB C 80 29.100 29.294 -0.194 1
1 963 . 16 1 1 A 80 80 TRP N N 80 123.700 121.591 2.109 1
1 965 . 16 1 1 A 81 81 ALA H H 81 8.980 8.685 0.295 1
1 966 . 16 1 1 A 81 81 ALA HA H 81 3.850 4.174 -0.324 1
1 970 . 16 1 1 A 81 81 ALA CA C 81 54.500 55.326 -0.826 1
1 971 . 16 1 1 A 81 81 ALA CB C 81 19.600 18.122 1.478 1
1 972 . 16 1 1 A 81 81 ALA N N 81 118.400 120.967 -2.567 1
1 973 . 16 1 1 A 82 82 THR H H 82 7.990 8.141 -0.151 1
1 974 . 16 1 1 A 82 82 THR HA H 82 4.310 4.403 -0.093 1
1 979 . 16 1 1 A 82 82 THR CA C 82 65.800 66.800 -1.000 1
1 980 . 16 1 1 A 82 82 THR CB C 82 68.800 68.006 0.794 1
1 982 . 16 1 1 A 82 82 THR N N 82 116.400 114.994 1.406 1
1 983 . 16 1 1 A 83 83 VAL H H 83 7.970 7.964 0.006 1
1 984 . 16 1 1 A 83 83 VAL HA H 83 3.720 3.485 0.235 1
1 992 . 16 1 1 A 83 83 VAL CA C 83 65.900 66.958 -1.058 1
1 993 . 16 1 1 A 83 83 VAL CB C 83 31.400 31.263 0.137 1
1 996 . 16 1 1 A 83 83 VAL N N 83 123.700 121.224 2.476 1
1 997 . 16 1 1 A 84 84 ARG H H 84 7.300 7.419 -0.119 1
1 998 . 16 1 1 A 84 84 ARG HA H 84 3.740 4.051 -0.311 1
1 1005 . 16 1 1 A 84 84 ARG CA C 84 55.300 55.518 -0.218 1
1 1006 . 16 1 1 A 84 84 ARG CB C 84 29.400 30.059 -0.659 1
1 1009 . 16 1 1 A 84 84 ARG N N 84 115.400 118.549 -3.149 1
1 1010 . 16 1 1 A 85 85 GLY H H 85 7.510 7.441 0.069 1
1 1011 . 16 1 1 A 85 85 GLY HA2 H 85 4.010 3.748 0.262 1
1 1012 . 16 1 1 A 85 85 GLY HA3 H 85 3.830 3.835 -0.005 1
1 1013 . 16 1 1 A 85 85 GLY CA C 85 45.400 45.554 -0.154 1
1 1014 . 16 1 1 A 85 85 GLY N N 85 105.600 107.508 -1.908 1
1 1015 . 16 1 1 A 86 86 TYR H H 86 8.120 7.995 0.125 1
1 1016 . 16 1 1 A 86 86 TYR HA H 86 4.740 4.392 0.348 1
1 1023 . 16 1 1 A 86 86 TYR CA C 86 55.800 59.724 -3.924 1
1 1024 . 16 1 1 A 86 86 TYR CB C 86 38.000 38.973 -0.973 1
1 1027 . 16 1 1 A 86 86 TYR N N 86 118.700 119.670 -0.970 1
1 1028 . 16 1 1 A 87 87 ARG H H 87 7.500 7.784 -0.284 1
1 1029 . 16 1 1 A 87 87 ARG HA H 87 4.710 4.714 -0.004 1
1 1037 . 16 1 1 A 87 87 ARG CA C 87 54.100 55.004 -0.904 1
1 1038 . 16 1 1 A 87 87 ARG CB C 87 31.900 33.362 -1.462 1
1 1041 . 16 1 1 A 87 87 ARG N N 87 111.200 115.987 -4.787 1
1 1043 . 16 1 1 A 88 88 GLU H H 88 9.190 8.699 0.491 1
1 1044 . 16 1 1 A 88 88 GLU HA H 88 4.760 4.853 -0.093 1
1 1049 . 16 1 1 A 88 88 GLU CA C 88 54.800 54.923 -0.123 1
1 1050 . 16 1 1 A 88 88 GLU CB C 88 32.500 32.716 -0.216 1
1 1052 . 16 1 1 A 88 88 GLU N N 88 118.800 121.107 -2.307 1
1 1053 . 16 1 1 A 89 89 GLY H H 89 8.580 8.301 0.279 1
1 1054 . 16 1 1 A 89 89 GLY HA2 H 89 3.850 4.055 -0.205 1
1 1055 . 16 1 1 A 89 89 GLY HA3 H 89 4.500 4.057 0.443 1
1 1056 . 16 1 1 A 89 89 GLY CA C 89 43.700 44.504 -0.804 1
1 1057 . 16 1 1 A 89 89 GLY N N 89 107.900 108.701 -0.801 1
1 1058 . 16 1 1 A 90 90 ASP H H 90 8.630 8.400 0.230 1
1 1059 . 16 1 1 A 90 90 ASP HA H 90 4.480 5.291 -0.811 1
1 1062 . 16 1 1 A 90 90 ASP CA C 90 54.600 52.849 1.751 1
1 1063 . 16 1 1 A 90 90 ASP CB C 90 40.500 44.190 -3.690 1
1 1064 . 16 1 1 A 90 90 ASP N N 90 120.700 122.027 -1.327 1
1 1065 . 16 1 1 A 91 91 ASN H H 91 8.930 8.683 0.247 1
1 1066 . 16 1 1 A 91 91 ASN HA H 91 4.580 5.068 -0.488 1
1 1071 . 16 1 1 A 91 91 ASN CA C 91 51.100 50.319 0.781 1
1 1072 . 16 1 1 A 91 91 ASN CB C 91 39.100 40.421 -1.321 1
1 1073 . 16 1 1 A 91 91 ASN N N 91 122.700 119.801 2.899 1
1 1075 . 16 1 1 A 92 92 PRO HA H 92 4.490 4.277 0.213 1
1 1082 . 16 1 1 A 92 92 PRO CA C 92 63.500 63.798 -0.298 1
1 1083 . 16 1 1 A 92 92 PRO CB C 92 32.300 31.655 0.645 1
1 1086 . 16 1 1 A 93 93 ALA H H 93 8.610 8.292 0.318 1
1 1087 . 16 1 1 A 93 93 ALA HA H 93 4.450 3.865 0.585 1
1 1091 . 16 1 1 A 93 93 ALA CA C 93 52.000 53.193 -1.193 1
1 1092 . 16 1 1 A 93 93 ALA CB C 93 18.100 18.393 -0.293 1
1 1093 . 16 1 1 A 93 93 ALA N N 93 120.500 119.333 1.167 1
1 1094 . 16 1 1 A 94 94 ARG H H 94 7.280 7.724 -0.444 1
1 1095 . 16 1 1 A 94 94 ARG HA H 94 3.830 4.174 -0.344 1
1 1102 . 16 1 1 A 94 94 ARG CA C 94 55.500 58.808 -3.308 1
1 1103 . 16 1 1 A 94 94 ARG CB C 94 30.500 30.029 0.471 1
1 1106 . 16 1 1 A 94 94 ARG N N 94 118.100 118.006 0.094 1
1 1107 . 16 1 1 A 95 95 TRP H H 95 7.310 7.676 -0.366 1
1 1108 . 16 1 1 A 95 95 TRP HA H 95 4.610 4.558 0.052 1
1 1117 . 16 1 1 A 95 95 TRP CA C 95 55.200 58.139 -2.939 1
1 1118 . 16 1 1 A 95 95 TRP CB C 95 29.500 28.342 1.158 1
1 1124 . 16 1 1 A 95 95 TRP N N 95 121.200 119.523 1.677 1
1 1126 . 16 1 1 A 96 96 ARG H H 96 8.380 9.022 -0.642 1
1 1127 . 16 1 1 A 96 96 ARG HA H 96 4.140 4.473 -0.333 1
1 1134 . 16 1 1 A 96 96 ARG CA C 96 57.200 57.531 -0.331 1
1 1135 . 16 1 1 A 96 96 ARG CB C 96 29.900 30.658 -0.758 1
1 1138 . 16 1 1 A 96 96 ARG N N 96 122.100 124.192 -2.092 1
1 1139 . 16 1 1 A 97 97 GLY H H 97 7.920 7.524 0.396 1
1 1140 . 16 1 1 A 97 97 GLY HA2 H 97 3.710 4.227 -0.517 1
1 1141 . 16 1 1 A 97 97 GLY HA3 H 97 3.630 4.258 -0.628 1
1 1142 . 16 1 1 A 97 97 GLY CA C 97 45.700 45.784 -0.084 1
1 1143 . 16 1 1 A 97 97 GLY N N 97 110.500 105.573 4.927 1
1 1144 . 16 1 1 A 98 98 TYR H H 98 7.770 8.448 -0.678 1
1 1145 . 16 1 1 A 98 98 TYR HA H 98 4.090 4.143 -0.053 1
1 1152 . 16 1 1 A 98 98 TYR CA C 98 59.900 60.946 -1.046 1
1 1153 . 16 1 1 A 98 98 TYR CB C 98 37.100 38.829 -1.729 1
1 1156 . 16 1 1 A 98 98 TYR N N 98 120.400 122.469 -2.069 1
1 1157 . 16 1 1 A 99 99 LEU H H 99 7.820 7.682 0.138 1
1 1158 . 16 1 1 A 99 99 LEU HA H 99 3.890 4.127 -0.237 1
1 1168 . 16 1 1 A 99 99 LEU CA C 99 55.600 55.959 -0.359 1
1 1169 . 16 1 1 A 99 99 LEU CB C 99 41.600 43.291 -1.691 1
1 1173 . 16 1 1 A 99 99 LEU N N 99 120.700 118.561 2.139 1
1 1174 . 16 1 1 A 100 100 GLU H H 100 7.680 7.858 -0.178 1
1 1175 . 16 1 1 A 100 100 GLU HA H 100 3.900 4.813 -0.913 1
1 1180 . 16 1 1 A 100 100 GLU CA C 100 56.500 54.529 1.971 1
1 1181 . 16 1 1 A 100 100 GLU CB C 100 29.500 32.337 -2.837 1
1 13 . 17 1 1 A 2 2 THR H H 2 9.230 8.436 0.794 1
1 14 . 17 1 1 A 2 2 THR HA H 2 5.080 5.100 -0.020 1
1 19 . 17 1 1 A 2 2 THR CA C 2 61.000 60.465 0.535 1
1 20 . 17 1 1 A 2 2 THR CB C 2 70.800 71.524 -0.724 1
1 22 . 17 1 1 A 2 2 THR N N 2 119.100 116.219 2.881 1
1 23 . 17 1 1 A 3 3 PHE H H 3 9.290 9.338 -0.048 1
1 24 . 17 1 1 A 3 3 PHE HA H 3 3.880 4.086 -0.206 1
1 32 . 17 1 1 A 3 3 PHE CA C 3 63.900 62.252 1.648 1
1 33 . 17 1 1 A 3 3 PHE CB C 3 38.800 39.335 -0.535 1
1 37 . 17 1 1 A 3 3 PHE N N 3 122.600 123.650 -1.050 1
1 38 . 17 1 1 A 4 4 SER H H 4 9.930 8.231 1.699 1
1 39 . 17 1 1 A 4 4 SER HA H 4 4.000 4.185 -0.185 1
1 42 . 17 1 1 A 4 4 SER CA C 4 62.800 61.746 1.054 1
1 43 . 17 1 1 A 4 4 SER CB C 4 62.600 62.715 -0.115 1
1 44 . 17 1 1 A 4 4 SER N N 4 116.300 116.266 0.034 1
1 45 . 17 1 1 A 5 5 GLU H H 5 7.980 7.388 0.592 1
1 46 . 17 1 1 A 5 5 GLU HA H 5 3.990 4.013 -0.023 1
1 51 . 17 1 1 A 5 5 GLU CA C 5 58.800 58.987 -0.187 1
1 52 . 17 1 1 A 5 5 GLU CB C 5 29.700 29.889 -0.189 1
1 54 . 17 1 1 A 5 5 GLU N N 5 122.800 121.120 1.680 1
1 55 . 17 1 1 A 6 6 CYS H H 6 8.430 8.086 0.344 1
1 56 . 17 1 1 A 6 6 CYS HA H 6 4.120 4.021 0.099 1
1 59 . 17 1 1 A 6 6 CYS CA C 6 63.300 61.914 1.386 1
1 60 . 17 1 1 A 6 6 CYS CB C 6 27.100 26.695 0.405 1
1 61 . 17 1 1 A 6 6 CYS N N 6 120.100 119.481 0.619 1
1 62 . 17 1 1 A 7 7 ALA H H 7 8.770 8.085 0.685 1
1 63 . 17 1 1 A 7 7 ALA HA H 7 3.790 3.794 -0.004 1
1 67 . 17 1 1 A 7 7 ALA CA C 7 55.200 54.849 0.351 1
1 68 . 17 1 1 A 7 7 ALA CB C 7 17.400 17.843 -0.443 1
1 69 . 17 1 1 A 7 7 ALA N N 7 120.400 122.045 -1.645 1
1 70 . 17 1 1 A 8 8 ALA H H 8 7.800 8.046 -0.246 1
1 71 . 17 1 1 A 8 8 ALA HA H 8 4.130 4.074 0.056 1
1 75 . 17 1 1 A 8 8 ALA CA C 8 55.200 54.944 0.256 1
1 76 . 17 1 1 A 8 8 ALA CB C 8 17.700 17.856 -0.156 1
1 77 . 17 1 1 A 8 8 ALA N N 8 119.200 120.580 -1.380 1
1 78 . 17 1 1 A 9 9 LEU H H 9 8.120 8.308 -0.188 1
1 79 . 17 1 1 A 9 9 LEU HA H 9 4.080 3.903 0.177 1
1 89 . 17 1 1 A 9 9 LEU CA C 9 57.700 57.689 0.011 1
1 90 . 17 1 1 A 9 9 LEU CB C 9 42.000 41.836 0.164 1
1 94 . 17 1 1 A 9 9 LEU N N 9 120.300 118.906 1.394 1
1 95 . 17 1 1 A 10 10 TYR H H 10 8.700 8.093 0.607 1
1 96 . 17 1 1 A 10 10 TYR HA H 10 2.330 2.792 -0.462 1
1 103 . 17 1 1 A 10 10 TYR CA C 10 62.000 60.757 1.243 1
1 104 . 17 1 1 A 10 10 TYR CB C 10 38.100 37.897 0.203 1
1 107 . 17 1 1 A 10 10 TYR N N 10 122.900 118.494 4.406 1
1 108 . 17 1 1 A 11 11 ILE H H 11 8.600 8.273 0.327 1
1 109 . 17 1 1 A 11 11 ILE HA H 11 3.270 2.921 0.349 1
1 119 . 17 1 1 A 11 11 ILE CA C 11 65.600 64.847 0.753 1
1 120 . 17 1 1 A 11 11 ILE CB C 11 38.200 37.737 0.463 1
1 124 . 17 1 1 A 11 11 ILE N N 11 123.900 120.898 3.002 1
1 125 . 17 1 1 A 12 12 LYS H H 12 7.910 8.136 -0.226 1
1 126 . 17 1 1 A 12 12 LYS HA H 12 3.870 4.005 -0.135 1
1 135 . 17 1 1 A 12 12 LYS CA C 12 59.900 59.220 0.680 1
1 136 . 17 1 1 A 12 12 LYS CB C 12 32.600 32.032 0.568 1
1 140 . 17 1 1 A 12 12 LYS N N 12 120.600 119.523 1.077 1
1 141 . 17 1 1 A 13 13 ALA H H 13 7.790 8.110 -0.320 1
1 142 . 17 1 1 A 13 13 ALA HA H 13 4.100 4.006 0.094 1
1 146 . 17 1 1 A 13 13 ALA CA C 13 53.200 54.237 -1.037 1
1 147 . 17 1 1 A 13 13 ALA CB C 13 18.200 18.098 0.102 1
1 148 . 17 1 1 A 13 13 ALA N N 13 118.100 120.443 -2.343 1
1 149 . 17 1 1 A 14 14 HIS H H 14 7.160 7.235 -0.075 1
1 150 . 17 1 1 A 14 14 HIS HA H 14 3.990 4.416 -0.426 1
1 155 . 17 1 1 A 14 14 HIS CA C 14 56.500 55.138 1.362 1
1 156 . 17 1 1 A 14 14 HIS CB C 14 27.000 30.067 -3.067 1
1 159 . 17 1 1 A 14 14 HIS N N 14 113.200 115.267 -2.067 1
1 160 . 17 1 1 A 15 15 ARG H H 15 7.420 7.896 -0.476 1
1 161 . 17 1 1 A 15 15 ARG HA H 15 3.760 4.169 -0.409 1
1 168 . 17 1 1 A 15 15 ARG CA C 15 59.800 58.778 1.022 1
1 169 . 17 1 1 A 15 15 ARG CB C 15 29.800 29.663 0.137 1
1 172 . 17 1 1 A 15 15 ARG N N 15 121.100 119.564 1.536 1
1 173 . 17 1 1 A 16 16 SER H H 16 8.540 7.908 0.632 1
1 174 . 17 1 1 A 16 16 SER HA H 16 4.230 4.191 0.039 1
1 177 . 17 1 1 A 16 16 SER CA C 16 60.800 61.418 -0.618 1
1 178 . 17 1 1 A 16 16 SER CB C 16 62.200 62.830 -0.630 1
1 179 . 17 1 1 A 16 16 SER N N 16 114.100 115.581 -1.481 1
1 180 . 17 1 1 A 17 17 SER H H 17 7.680 8.118 -0.438 1
1 181 . 17 1 1 A 17 17 SER HA H 17 4.370 4.467 -0.097 1
1 184 . 17 1 1 A 17 17 SER CA C 17 59.800 59.545 0.255 1
1 185 . 17 1 1 A 17 17 SER CB C 17 63.100 63.820 -0.720 1
1 186 . 17 1 1 A 17 17 SER N N 17 116.700 115.000 1.700 1
1 187 . 17 1 1 A 18 18 TRP H H 18 7.640 7.880 -0.240 1
1 188 . 17 1 1 A 18 18 TRP HA H 18 4.990 4.877 0.113 1
1 197 . 17 1 1 A 18 18 TRP CA C 18 55.200 56.091 -0.891 1
1 198 . 17 1 1 A 18 18 TRP CB C 18 29.500 28.537 0.963 1
1 204 . 17 1 1 A 18 18 TRP N N 18 121.200 119.372 1.828 1
1 206 . 17 1 1 A 19 19 LYS H H 19 7.920 7.559 0.361 1
1 207 . 17 1 1 A 19 19 LYS HA H 19 4.180 4.105 0.075 1
1 216 . 17 1 1 A 19 19 LYS CA C 19 58.100 57.661 0.439 1
1 217 . 17 1 1 A 19 19 LYS CB C 19 32.200 32.421 -0.221 1
1 221 . 17 1 1 A 19 19 LYS N N 19 121.100 120.447 0.653 1
1 222 . 17 1 1 A 20 20 ASN H H 20 8.630 8.937 -0.307 1
1 223 . 17 1 1 A 20 20 ASN HA H 20 4.760 4.434 0.326 1
1 228 . 17 1 1 A 20 20 ASN CA C 20 53.600 54.532 -0.932 1
1 229 . 17 1 1 A 20 20 ASN CB C 20 38.200 38.131 0.069 1
1 230 . 17 1 1 A 20 20 ASN N N 20 116.500 121.097 -4.597 1
1 232 . 17 1 1 A 21 21 THR H H 21 8.320 7.737 0.583 1
1 233 . 17 1 1 A 21 21 THR HA H 21 4.470 4.605 -0.135 1
1 238 . 17 1 1 A 21 21 THR CA C 21 62.500 60.483 2.017 1
1 239 . 17 1 1 A 21 21 THR CB C 21 70.700 70.290 0.410 1
1 241 . 17 1 1 A 21 21 THR N N 21 113.700 110.927 2.773 1
1 242 . 17 1 1 A 22 22 LYS H H 22 8.440 8.905 -0.465 1
1 243 . 17 1 1 A 22 22 LYS HA H 22 4.500 4.039 0.461 1
1 252 . 17 1 1 A 22 22 LYS CA C 22 56.700 58.352 -1.652 1
1 253 . 17 1 1 A 22 22 LYS CB C 22 31.700 31.704 -0.004 1
1 257 . 17 1 1 A 22 22 LYS N N 22 120.900 119.291 1.609 1
1 258 . 17 1 1 A 23 23 HIS H H 23 8.110 7.852 0.258 1
1 259 . 17 1 1 A 23 23 HIS HA H 23 4.450 4.243 0.207 1
1 264 . 17 1 1 A 23 23 HIS CA C 23 57.300 59.061 -1.761 1
1 265 . 17 1 1 A 23 23 HIS CB C 23 27.900 29.430 -1.530 1
1 268 . 17 1 1 A 23 23 HIS N N 23 116.800 118.006 -1.206 1
1 269 . 17 1 1 A 24 24 ALA H H 24 8.490 8.192 0.298 1
1 270 . 17 1 1 A 24 24 ALA HA H 24 4.000 3.709 0.291 1
1 274 . 17 1 1 A 24 24 ALA CA C 24 55.700 55.015 0.685 1
1 275 . 17 1 1 A 24 24 ALA CB C 24 18.000 18.060 -0.060 1
1 276 . 17 1 1 A 24 24 ALA N N 24 121.700 121.963 -0.263 1
1 277 . 17 1 1 A 25 25 ASP H H 25 8.370 8.234 0.136 1
1 278 . 17 1 1 A 25 25 ASP HA H 25 4.450 4.350 0.100 1
1 281 . 17 1 1 A 25 25 ASP CA C 25 56.800 57.648 -0.848 1
1 282 . 17 1 1 A 25 25 ASP CB C 25 40.200 41.213 -1.013 1
1 283 . 17 1 1 A 25 25 ASP N N 25 119.100 118.683 0.417 1
1 284 . 17 1 1 A 26 26 GLN H H 26 8.020 8.857 -0.837 1
1 285 . 17 1 1 A 26 26 GLN HA H 26 4.250 4.018 0.232 1
1 292 . 17 1 1 A 26 26 GLN CA C 26 58.600 59.184 -0.584 1
1 293 . 17 1 1 A 26 26 GLN CB C 26 28.500 27.961 0.539 1
1 295 . 17 1 1 A 26 26 GLN N N 26 119.500 117.278 2.222 1
1 297 . 17 1 1 A 27 27 TRP H H 27 8.610 7.695 0.915 1
1 298 . 17 1 1 A 27 27 TRP HA H 27 3.840 4.552 -0.712 1
1 307 . 17 1 1 A 27 27 TRP CA C 27 62.400 60.135 2.265 1
1 308 . 17 1 1 A 27 27 TRP CB C 27 28.300 29.720 -1.420 1
1 314 . 17 1 1 A 27 27 TRP N N 27 122.000 121.274 0.726 1
1 316 . 17 1 1 A 28 28 THR H H 28 8.460 8.610 -0.150 1
1 317 . 17 1 1 A 28 28 THR HA H 28 3.790 4.074 -0.284 1
1 322 . 17 1 1 A 28 28 THR CA C 28 67.000 67.458 -0.458 1
1 323 . 17 1 1 A 28 28 THR CB C 28 68.900 68.519 0.381 1
1 325 . 17 1 1 A 28 28 THR N N 28 114.800 115.216 -0.416 1
1 326 . 17 1 1 A 29 29 ASN H H 29 8.650 9.020 -0.370 1
1 327 . 17 1 1 A 29 29 ASN HA H 29 4.530 4.372 0.158 1
1 332 . 17 1 1 A 29 29 ASN CA C 29 56.600 56.410 0.190 1
1 333 . 17 1 1 A 29 29 ASN CB C 29 38.400 39.148 -0.748 1
1 334 . 17 1 1 A 29 29 ASN N N 29 118.500 119.706 -1.206 1
1 336 . 17 1 1 A 30 30 THR H H 30 8.170 8.214 -0.044 1
1 337 . 17 1 1 A 30 30 THR HA H 30 4.160 3.998 0.162 1
1 342 . 17 1 1 A 30 30 THR CA C 30 66.100 65.912 0.188 1
1 343 . 17 1 1 A 30 30 THR CB C 30 69.300 68.189 1.111 1
1 345 . 17 1 1 A 30 30 THR N N 30 113.100 113.660 -0.560 1
1 346 . 17 1 1 A 31 31 ILE H H 31 8.030 7.707 0.323 1
1 347 . 17 1 1 A 31 31 ILE HA H 31 3.850 3.758 0.092 1
1 357 . 17 1 1 A 31 31 ILE CA C 31 65.200 65.033 0.167 1
1 358 . 17 1 1 A 31 31 ILE CB C 31 36.300 37.672 -1.372 1
1 362 . 17 1 1 A 31 31 ILE N N 31 122.000 123.554 -1.554 1
1 363 . 17 1 1 A 32 32 LYS H H 32 8.320 8.753 -0.433 1
1 364 . 17 1 1 A 32 32 LYS HA H 32 4.090 3.976 0.114 1
1 373 . 17 1 1 A 32 32 LYS CA C 32 60.500 59.574 0.926 1
1 374 . 17 1 1 A 32 32 LYS CB C 32 32.500 32.168 0.332 1
1 378 . 17 1 1 A 32 32 LYS N N 32 121.300 121.142 0.158 1
1 379 . 17 1 1 A 33 33 THR H H 33 8.160 7.564 0.596 1
1 380 . 17 1 1 A 33 33 THR HA H 33 3.690 3.931 -0.241 1
1 385 . 17 1 1 A 33 33 THR CA C 33 66.500 66.191 0.309 1
1 386 . 17 1 1 A 33 33 THR CB C 33 69.200 68.998 0.202 1
1 388 . 17 1 1 A 33 33 THR N N 33 113.400 116.072 -2.672 1
1 389 . 17 1 1 A 34 34 TYR H H 34 7.640 7.731 -0.091 1
1 390 . 17 1 1 A 34 34 TYR HA H 34 4.670 4.364 0.306 1
1 397 . 17 1 1 A 34 34 TYR CA C 34 59.800 60.579 -0.779 1
1 398 . 17 1 1 A 34 34 TYR CB C 34 39.800 39.056 0.744 1
1 401 . 17 1 1 A 34 34 TYR N N 34 113.700 118.841 -5.141 1
1 402 . 17 1 1 A 35 35 CYS H H 35 8.170 8.290 -0.120 1
1 403 . 17 1 1 A 35 35 CYS HA H 35 4.470 4.284 0.186 1
1 406 . 17 1 1 A 35 35 CYS CA C 35 60.700 62.925 -2.225 1
1 407 . 17 1 1 A 35 35 CYS CB C 35 27.700 27.502 0.198 1
1 408 . 17 1 1 A 35 35 CYS N N 35 113.100 118.372 -5.272 1
1 409 . 17 1 1 A 36 36 GLY H H 36 8.110 8.267 -0.157 1
1 410 . 17 1 1 A 36 36 GLY HA2 H 36 3.880 3.800 0.080 1
1 411 . 17 1 1 A 36 36 GLY HA3 H 36 4.480 3.843 0.637 1
1 412 . 17 1 1 A 36 36 GLY CA C 36 49.400 48.249 1.151 1
1 413 . 17 1 1 A 36 36 GLY N N 36 110.800 109.922 0.878 1
1 414 . 17 1 1 A 37 37 PRO HA H 37 4.470 4.377 0.093 1
1 421 . 17 1 1 A 37 37 PRO CA C 37 64.400 64.834 -0.434 1
1 422 . 17 1 1 A 37 37 PRO CB C 37 32.700 31.376 1.324 1
1 425 . 17 1 1 A 38 38 VAL H H 38 7.270 7.367 -0.097 1
1 426 . 17 1 1 A 38 38 VAL HA H 38 4.190 3.983 0.207 1
1 434 . 17 1 1 A 38 38 VAL CA C 38 63.600 63.824 -0.224 1
1 435 . 17 1 1 A 38 38 VAL CB C 38 34.800 32.070 2.730 1
1 438 . 17 1 1 A 38 38 VAL N N 38 113.900 115.743 -1.843 1
1 439 . 17 1 1 A 39 39 ILE H H 39 7.590 7.740 -0.150 1
1 440 . 17 1 1 A 39 39 ILE HA H 39 4.590 4.190 0.400 1
1 450 . 17 1 1 A 39 39 ILE CA C 39 60.500 61.612 -1.112 1
1 451 . 17 1 1 A 39 39 ILE CB C 39 39.500 37.961 1.539 1
1 455 . 17 1 1 A 39 39 ILE N N 39 107.400 115.404 -8.004 1
1 456 . 17 1 1 A 40 40 GLY H H 40 7.670 8.013 -0.343 1
1 457 . 17 1 1 A 40 40 GLY HA2 H 40 4.040 3.863 0.177 1
1 458 . 17 1 1 A 40 40 GLY HA3 H 40 4.430 4.003 0.427 1
1 459 . 17 1 1 A 40 40 GLY CA C 40 49.400 48.295 1.105 1
1 460 . 17 1 1 A 40 40 GLY N N 40 109.200 112.475 -3.275 1
1 461 . 17 1 1 A 41 41 PRO HA H 41 4.770 4.506 0.264 1
1 468 . 17 1 1 A 41 41 PRO CA C 41 63.200 64.026 -0.826 1
1 469 . 17 1 1 A 41 41 PRO CB C 41 31.800 31.857 -0.057 1
1 472 . 17 1 1 A 42 42 LEU H H 42 7.540 7.421 0.119 1
1 473 . 17 1 1 A 42 42 LEU HA H 42 4.320 4.398 -0.078 1
1 483 . 17 1 1 A 42 42 LEU CA C 42 54.000 53.865 0.135 1
1 484 . 17 1 1 A 42 42 LEU CB C 42 42.000 43.345 -1.345 1
1 488 . 17 1 1 A 42 42 LEU N N 42 119.600 120.580 -0.980 1
1 489 . 17 1 1 A 43 43 SER H H 43 8.880 8.545 0.335 1
1 490 . 17 1 1 A 43 43 SER HA H 43 4.510 4.772 -0.262 1
1 493 . 17 1 1 A 43 43 SER CA C 43 58.600 60.003 -1.403 1
1 494 . 17 1 1 A 43 43 SER CB C 43 63.000 63.615 -0.615 1
1 495 . 17 1 1 A 43 43 SER N N 43 116.100 117.647 -1.547 1
1 496 . 17 1 1 A 44 44 VAL H H 44 9.020 8.875 0.145 1
1 497 . 17 1 1 A 44 44 VAL HA H 44 3.920 4.107 -0.187 1
1 505 . 17 1 1 A 44 44 VAL CA C 44 65.900 64.816 1.084 1
1 506 . 17 1 1 A 44 44 VAL CB C 44 32.100 31.994 0.106 1
1 509 . 17 1 1 A 44 44 VAL N N 44 124.400 127.078 -2.678 1
1 510 . 17 1 1 A 45 45 GLN H H 45 8.700 8.054 0.646 1
1 511 . 17 1 1 A 45 45 GLN HA H 45 4.170 4.144 0.026 1
1 518 . 17 1 1 A 45 45 GLN CA C 45 57.400 58.687 -1.287 1
1 519 . 17 1 1 A 45 45 GLN CB C 45 29.000 28.422 0.578 1
1 521 . 17 1 1 A 45 45 GLN N N 45 120.500 121.322 -0.822 1
1 523 . 17 1 1 A 46 46 ASP H H 46 7.870 7.945 -0.075 1
1 524 . 17 1 1 A 46 46 ASP HA H 46 4.720 4.733 -0.013 1
1 527 . 17 1 1 A 46 46 ASP CA C 46 54.400 53.502 0.898 1
1 528 . 17 1 1 A 46 46 ASP CB C 46 40.800 41.150 -0.350 1
1 529 . 17 1 1 A 46 46 ASP N N 46 117.200 118.177 -0.977 1
1 530 . 17 1 1 A 47 47 VAL H H 47 6.970 7.368 -0.398 1
1 531 . 17 1 1 A 47 47 VAL HA H 47 3.490 3.910 -0.420 1
1 539 . 17 1 1 A 47 47 VAL CA C 47 65.200 62.816 2.384 1
1 540 . 17 1 1 A 47 47 VAL CB C 47 31.100 31.991 -0.891 1
1 543 . 17 1 1 A 47 47 VAL N N 47 118.500 121.015 -2.515 1
1 544 . 17 1 1 A 48 48 ASP H H 48 7.220 8.983 -1.763 1
1 545 . 17 1 1 A 48 48 ASP HA H 48 4.910 4.876 0.034 1
1 548 . 17 1 1 A 48 48 ASP CA C 48 51.600 52.961 -1.361 1
1 549 . 17 1 1 A 48 48 ASP CB C 48 42.700 42.155 0.545 1
1 550 . 17 1 1 A 48 48 ASP N N 48 128.000 126.930 1.070 1
1 551 . 17 1 1 A 49 49 THR H H 49 8.490 8.767 -0.277 1
1 552 . 17 1 1 A 49 49 THR HA H 49 3.770 3.880 -0.110 1
1 557 . 17 1 1 A 49 49 THR CA C 49 67.300 66.501 0.799 1
1 558 . 17 1 1 A 49 49 THR CB C 49 68.900 68.814 0.086 1
1 560 . 17 1 1 A 49 49 THR N N 49 115.800 116.619 -0.819 1
1 561 . 17 1 1 A 50 50 LYS H H 50 7.860 8.257 -0.397 1
1 562 . 17 1 1 A 50 50 LYS HA H 50 3.860 4.117 -0.257 1
1 571 . 17 1 1 A 50 50 LYS CA C 50 60.000 59.597 0.403 1
1 572 . 17 1 1 A 50 50 LYS CB C 50 31.600 32.021 -0.421 1
1 576 . 17 1 1 A 50 50 LYS N N 50 120.500 121.057 -0.557 1
1 577 . 17 1 1 A 51 51 LEU H H 51 8.190 8.145 0.045 1
1 578 . 17 1 1 A 51 51 LEU HA H 51 4.050 4.044 0.006 1
1 588 . 17 1 1 A 51 51 LEU CA C 51 57.600 57.960 -0.360 1
1 589 . 17 1 1 A 51 51 LEU CB C 51 42.400 41.540 0.860 1
1 593 . 17 1 1 A 51 51 LEU N N 51 120.600 119.468 1.132 1
1 594 . 17 1 1 A 52 52 ILE H H 52 7.850 7.688 0.162 1
1 595 . 17 1 1 A 52 52 ILE HA H 52 3.440 3.474 -0.034 1
1 605 . 17 1 1 A 52 52 ILE CA C 52 65.200 65.046 0.154 1
1 606 . 17 1 1 A 52 52 ILE CB C 52 36.700 37.377 -0.677 1
1 610 . 17 1 1 A 52 52 ILE N N 52 118.600 119.617 -1.017 1
1 611 . 17 1 1 A 53 53 MET H H 53 8.540 8.436 0.104 1
1 612 . 17 1 1 A 53 53 MET HA H 53 4.040 4.085 -0.045 1
1 620 . 17 1 1 A 53 53 MET CA C 53 59.000 59.495 -0.495 1
1 621 . 17 1 1 A 53 53 MET CB C 53 31.300 32.770 -1.470 1
1 624 . 17 1 1 A 53 53 MET N N 53 118.600 118.036 0.564 1
1 625 . 17 1 1 A 54 54 LYS H H 54 7.620 8.535 -0.915 1
1 626 . 17 1 1 A 54 54 LYS HA H 54 4.140 4.033 0.107 1
1 635 . 17 1 1 A 54 54 LYS CA C 54 59.200 59.407 -0.207 1
1 636 . 17 1 1 A 54 54 LYS CB C 54 32.300 32.223 0.077 1
1 640 . 17 1 1 A 54 54 LYS N N 54 119.100 120.058 -0.958 1
1 641 . 17 1 1 A 55 55 VAL H H 55 7.560 7.471 0.089 1
1 642 . 17 1 1 A 55 55 VAL HA H 55 3.670 3.596 0.074 1
1 650 . 17 1 1 A 55 55 VAL CA C 55 65.600 65.999 -0.399 1
1 651 . 17 1 1 A 55 55 VAL CB C 55 31.900 31.729 0.171 1
1 654 . 17 1 1 A 55 55 VAL N N 55 117.200 119.947 -2.747 1
1 655 . 17 1 1 A 56 56 LEU H H 56 7.790 7.894 -0.104 1
1 656 . 17 1 1 A 56 56 LEU HA H 56 3.900 3.736 0.164 1
1 666 . 17 1 1 A 56 56 LEU CA C 56 56.400 56.645 -0.245 1
1 667 . 17 1 1 A 56 56 LEU CB C 56 42.700 41.813 0.887 1
1 671 . 17 1 1 A 56 56 LEU N N 56 114.400 119.092 -4.692 1
1 672 . 17 1 1 A 57 57 ASP H H 57 8.850 8.343 0.507 1
1 673 . 17 1 1 A 57 57 ASP HA H 57 4.140 4.645 -0.505 1
1 676 . 17 1 1 A 57 57 ASP CA C 57 59.100 59.356 -0.256 1
1 677 . 17 1 1 A 57 57 ASP CB C 57 38.200 38.345 -0.145 1
1 678 . 17 1 1 A 57 57 ASP N N 57 120.500 121.388 -0.888 1
1 679 . 17 1 1 A 58 58 PRO HA H 58 4.520 4.414 0.106 1
1 686 . 17 1 1 A 58 58 PRO CA C 58 65.300 64.955 0.345 1
1 687 . 17 1 1 A 58 58 PRO CB C 58 31.700 31.294 0.406 1
1 690 . 17 1 1 A 59 59 ILE H H 59 7.400 7.620 -0.220 1
1 691 . 17 1 1 A 59 59 ILE HA H 59 4.060 3.817 0.243 1
1 701 . 17 1 1 A 59 59 ILE CA C 59 62.300 63.547 -1.247 1
1 702 . 17 1 1 A 59 59 ILE CB C 59 39.300 37.406 1.894 1
1 706 . 17 1 1 A 59 59 ILE N N 59 113.300 116.113 -2.813 1
1 707 . 17 1 1 A 60 60 TRP H H 60 8.000 8.307 -0.307 1
1 708 . 17 1 1 A 60 60 TRP HA H 60 3.830 4.429 -0.599 1
1 717 . 17 1 1 A 60 60 TRP CA C 60 61.300 59.276 2.024 1
1 718 . 17 1 1 A 60 60 TRP CB C 60 29.700 29.102 0.598 1
1 724 . 17 1 1 A 60 60 TRP N N 60 120.900 120.973 -0.073 1
1 726 . 17 1 1 A 61 61 GLU H H 61 7.840 8.050 -0.210 1
1 727 . 17 1 1 A 61 61 GLU HA H 61 4.110 4.256 -0.146 1
1 732 . 17 1 1 A 61 61 GLU CA C 61 58.100 59.043 -0.943 1
1 733 . 17 1 1 A 61 61 GLU CB C 61 29.500 29.975 -0.475 1
1 735 . 17 1 1 A 61 61 GLU N N 61 112.300 120.288 -7.988 1
1 736 . 17 1 1 A 62 62 GLN H H 62 7.710 7.834 -0.124 1
1 737 . 17 1 1 A 62 62 GLN HA H 62 4.400 4.322 0.078 1
1 744 . 17 1 1 A 62 62 GLN CA C 62 57.200 57.680 -0.480 1
1 745 . 17 1 1 A 62 62 GLN CB C 62 30.800 29.838 0.962 1
1 747 . 17 1 1 A 62 62 GLN N N 62 115.200 117.707 -2.507 1
1 749 . 17 1 1 A 63 63 LYS H H 63 8.500 8.067 0.433 1
1 750 . 17 1 1 A 63 63 LYS HA H 63 4.860 4.746 0.114 1
1 759 . 17 1 1 A 63 63 LYS CA C 63 53.300 53.757 -0.457 1
1 760 . 17 1 1 A 63 63 LYS CB C 63 33.800 33.114 0.686 1
1 764 . 17 1 1 A 63 63 LYS N N 63 117.800 119.194 -1.394 1
1 765 . 17 1 1 A 64 64 PRO HA H 64 4.110 4.355 -0.245 1
1 772 . 17 1 1 A 64 64 PRO CA C 64 66.000 65.276 0.724 1
1 773 . 17 1 1 A 64 64 PRO CB C 64 31.500 32.013 -0.513 1
1 776 . 17 1 1 A 65 65 GLU H H 65 8.680 8.171 0.509 1
1 777 . 17 1 1 A 65 65 GLU HA H 65 4.120 4.094 0.026 1
1 782 . 17 1 1 A 65 65 GLU CA C 65 59.300 59.750 -0.450 1
1 783 . 17 1 1 A 65 65 GLU CB C 65 28.500 29.709 -1.209 1
1 785 . 17 1 1 A 65 65 GLU N N 65 117.800 118.309 -0.509 1
1 786 . 17 1 1 A 66 66 THR H H 66 7.370 7.977 -0.607 1
1 787 . 17 1 1 A 66 66 THR HA H 66 3.820 3.840 -0.020 1
1 792 . 17 1 1 A 66 66 THR CA C 66 66.200 66.429 -0.229 1
1 793 . 17 1 1 A 66 66 THR CB C 66 68.200 68.567 -0.367 1
1 795 . 17 1 1 A 66 66 THR N N 66 117.800 117.253 0.547 1
1 796 . 17 1 1 A 67 67 ALA H H 67 7.890 8.176 -0.286 1
1 797 . 17 1 1 A 67 67 ALA HA H 67 3.380 3.566 -0.186 1
1 801 . 17 1 1 A 67 67 ALA CA C 67 55.200 54.980 0.220 1
1 802 . 17 1 1 A 67 67 ALA CB C 67 17.400 17.407 -0.007 1
1 803 . 17 1 1 A 67 67 ALA N N 67 123.900 124.018 -0.118 1
1 804 . 17 1 1 A 68 68 SER H H 68 7.920 8.136 -0.216 1
1 805 . 17 1 1 A 68 68 SER HA H 68 4.070 4.216 -0.146 1
1 808 . 17 1 1 A 68 68 SER CA C 68 61.200 61.455 -0.255 1
1 809 . 17 1 1 A 68 68 SER CB C 68 62.700 62.597 0.103 1
1 810 . 17 1 1 A 68 68 SER N N 68 111.500 113.041 -1.541 1
1 811 . 17 1 1 A 69 69 ARG H H 69 7.840 7.184 0.656 1
1 812 . 17 1 1 A 69 69 ARG HA H 69 4.010 4.044 -0.034 1
1 819 . 17 1 1 A 69 69 ARG CA C 69 58.700 58.693 0.007 1
1 820 . 17 1 1 A 69 69 ARG CB C 69 30.000 29.434 0.566 1
1 823 . 17 1 1 A 69 69 ARG N N 69 121.200 122.468 -1.268 1
1 824 . 17 1 1 A 70 70 LEU H H 70 8.490 8.381 0.109 1
1 825 . 17 1 1 A 70 70 LEU HA H 70 3.740 3.995 -0.255 1
1 835 . 17 1 1 A 70 70 LEU CA C 70 57.500 57.456 0.044 1
1 836 . 17 1 1 A 70 70 LEU CB C 70 41.100 41.697 -0.597 1
1 840 . 17 1 1 A 70 70 LEU N N 70 121.100 121.647 -0.547 1
1 841 . 17 1 1 A 71 71 ARG H H 71 8.460 8.074 0.386 1
1 842 . 17 1 1 A 71 71 ARG HA H 71 3.540 3.852 -0.312 1
1 850 . 17 1 1 A 71 71 ARG CA C 71 60.700 59.801 0.899 1
1 851 . 17 1 1 A 71 71 ARG CB C 71 28.000 29.839 -1.839 1
1 854 . 17 1 1 A 71 71 ARG N N 71 119.800 119.484 0.316 1
1 856 . 17 1 1 A 72 72 GLY H H 72 7.530 7.946 -0.416 1
1 857 . 17 1 1 A 72 72 GLY HA2 H 72 3.980 3.660 0.320 1
1 858 . 17 1 1 A 72 72 GLY HA3 H 72 3.870 3.723 0.147 1
1 859 . 17 1 1 A 72 72 GLY CA C 72 47.100 47.253 -0.153 1
1 860 . 17 1 1 A 72 72 GLY N N 72 103.400 106.807 -3.407 1
1 861 . 17 1 1 A 73 73 ARG H H 73 7.800 7.402 0.398 1
1 862 . 17 1 1 A 73 73 ARG HA H 73 3.930 3.659 0.271 1
1 869 . 17 1 1 A 73 73 ARG CA C 73 59.400 59.127 0.273 1
1 870 . 17 1 1 A 73 73 ARG CB C 73 29.500 30.070 -0.570 1
1 873 . 17 1 1 A 73 73 ARG N N 73 122.800 121.511 1.289 1
1 874 . 17 1 1 A 74 74 ILE H H 74 8.420 7.930 0.490 1
1 875 . 17 1 1 A 74 74 ILE HA H 74 3.440 3.900 -0.460 1
1 885 . 17 1 1 A 74 74 ILE CA C 74 66.500 65.659 0.841 1
1 886 . 17 1 1 A 74 74 ILE CB C 74 38.300 37.373 0.927 1
1 890 . 17 1 1 A 74 74 ILE N N 74 118.800 120.790 -1.990 1
1 891 . 17 1 1 A 75 75 GLU H H 75 8.620 9.135 -0.515 1
1 892 . 17 1 1 A 75 75 GLU HA H 75 3.840 4.021 -0.181 1
1 897 . 17 1 1 A 75 75 GLU CA C 75 59.900 59.776 0.124 1
1 898 . 17 1 1 A 75 75 GLU CB C 75 29.400 29.467 -0.067 1
1 900 . 17 1 1 A 75 75 GLU N N 75 119.200 121.945 -2.745 1
1 901 . 17 1 1 A 76 76 SER H H 76 8.380 7.652 0.728 1
1 902 . 17 1 1 A 76 76 SER HA H 76 4.460 4.269 0.191 1
1 905 . 17 1 1 A 76 76 SER CA C 76 62.900 61.212 1.688 1
1 906 . 17 1 1 A 76 76 SER CB C 76 63.000 63.015 -0.015 1
1 907 . 17 1 1 A 76 76 SER N N 76 116.000 114.571 1.429 1
1 908 . 17 1 1 A 77 77 VAL H H 77 8.190 7.765 0.425 1
1 909 . 17 1 1 A 77 77 VAL HA H 77 3.290 3.199 0.091 1
1 917 . 17 1 1 A 77 77 VAL CA C 77 66.800 66.725 0.075 1
1 918 . 17 1 1 A 77 77 VAL CB C 77 31.400 31.287 0.113 1
1 921 . 17 1 1 A 77 77 VAL N N 77 122.800 121.428 1.372 1
1 922 . 17 1 1 A 78 78 LEU H H 78 8.590 8.598 -0.008 1
1 923 . 17 1 1 A 78 78 LEU HA H 78 4.270 4.111 0.159 1
1 933 . 17 1 1 A 78 78 LEU CA C 78 57.800 58.174 -0.374 1
1 934 . 17 1 1 A 78 78 LEU CB C 78 40.900 40.794 0.106 1
1 938 . 17 1 1 A 78 78 LEU N N 78 116.900 119.319 -2.419 1
1 939 . 17 1 1 A 79 79 ASP H H 79 8.790 8.297 0.493 1
1 940 . 17 1 1 A 79 79 ASP HA H 79 4.730 4.360 0.370 1
1 943 . 17 1 1 A 79 79 ASP CA C 79 57.900 57.388 0.512 1
1 944 . 17 1 1 A 79 79 ASP CB C 79 40.400 41.622 -1.222 1
1 945 . 17 1 1 A 79 79 ASP N N 79 123.800 119.218 4.582 1
1 946 . 17 1 1 A 80 80 TRP H H 80 8.210 8.512 -0.302 1
1 947 . 17 1 1 A 80 80 TRP HA H 80 4.380 4.380 0.000 1
1 956 . 17 1 1 A 80 80 TRP CA C 80 61.600 61.435 0.165 1
1 957 . 17 1 1 A 80 80 TRP CB C 80 29.100 29.498 -0.398 1
1 963 . 17 1 1 A 80 80 TRP N N 80 123.700 121.736 1.964 1
1 965 . 17 1 1 A 81 81 ALA H H 81 8.980 8.661 0.319 1
1 966 . 17 1 1 A 81 81 ALA HA H 81 3.850 4.026 -0.176 1
1 970 . 17 1 1 A 81 81 ALA CA C 81 54.500 55.280 -0.780 1
1 971 . 17 1 1 A 81 81 ALA CB C 81 19.600 18.076 1.524 1
1 972 . 17 1 1 A 81 81 ALA N N 81 118.400 121.289 -2.889 1
1 973 . 17 1 1 A 82 82 THR H H 82 7.990 7.999 -0.009 1
1 974 . 17 1 1 A 82 82 THR HA H 82 4.310 4.560 -0.250 1
1 979 . 17 1 1 A 82 82 THR CA C 82 65.800 66.969 -1.169 1
1 980 . 17 1 1 A 82 82 THR CB C 82 68.800 68.075 0.725 1
1 982 . 17 1 1 A 82 82 THR N N 82 116.400 114.813 1.587 1
1 983 . 17 1 1 A 83 83 VAL H H 83 7.970 7.579 0.391 1
1 984 . 17 1 1 A 83 83 VAL HA H 83 3.720 3.520 0.200 1
1 992 . 17 1 1 A 83 83 VAL CA C 83 65.900 66.784 -0.884 1
1 993 . 17 1 1 A 83 83 VAL CB C 83 31.400 31.527 -0.127 1
1 996 . 17 1 1 A 83 83 VAL N N 83 123.700 121.441 2.259 1
1 997 . 17 1 1 A 84 84 ARG H H 84 7.300 7.473 -0.173 1
1 998 . 17 1 1 A 84 84 ARG HA H 84 3.740 4.040 -0.300 1
1 1005 . 17 1 1 A 84 84 ARG CA C 84 55.300 55.728 -0.428 1
1 1006 . 17 1 1 A 84 84 ARG CB C 84 29.400 30.035 -0.635 1
1 1009 . 17 1 1 A 84 84 ARG N N 84 115.400 118.248 -2.848 1
1 1010 . 17 1 1 A 85 85 GLY H H 85 7.510 7.405 0.105 1
1 1011 . 17 1 1 A 85 85 GLY HA2 H 85 4.010 3.774 0.236 1
1 1012 . 17 1 1 A 85 85 GLY HA3 H 85 3.830 3.847 -0.017 1
1 1013 . 17 1 1 A 85 85 GLY CA C 85 45.400 45.522 -0.122 1
1 1014 . 17 1 1 A 85 85 GLY N N 85 105.600 107.527 -1.927 1
1 1015 . 17 1 1 A 86 86 TYR H H 86 8.120 8.116 0.004 1
1 1016 . 17 1 1 A 86 86 TYR HA H 86 4.740 4.325 0.415 1
1 1023 . 17 1 1 A 86 86 TYR CA C 86 55.800 60.311 -4.511 1
1 1024 . 17 1 1 A 86 86 TYR CB C 86 38.000 38.466 -0.466 1
1 1027 . 17 1 1 A 86 86 TYR N N 86 118.700 119.230 -0.530 1
1 1028 . 17 1 1 A 87 87 ARG H H 87 7.500 7.275 0.225 1
1 1029 . 17 1 1 A 87 87 ARG HA H 87 4.710 4.751 -0.041 1
1 1037 . 17 1 1 A 87 87 ARG CA C 87 54.100 54.627 -0.527 1
1 1038 . 17 1 1 A 87 87 ARG CB C 87 31.900 33.060 -1.160 1
1 1041 . 17 1 1 A 87 87 ARG N N 87 111.200 115.197 -3.997 1
1 1043 . 17 1 1 A 88 88 GLU H H 88 9.190 8.470 0.720 1
1 1044 . 17 1 1 A 88 88 GLU HA H 88 4.760 4.462 0.298 1
1 1049 . 17 1 1 A 88 88 GLU CA C 88 54.800 56.079 -1.279 1
1 1050 . 17 1 1 A 88 88 GLU CB C 88 32.500 30.671 1.829 1
1 1052 . 17 1 1 A 88 88 GLU N N 88 118.800 121.017 -2.217 1
1 1053 . 17 1 1 A 89 89 GLY H H 89 8.580 8.522 0.058 1
1 1054 . 17 1 1 A 89 89 GLY HA2 H 89 3.850 3.921 -0.071 1
1 1055 . 17 1 1 A 89 89 GLY HA3 H 89 4.500 3.924 0.576 1
1 1056 . 17 1 1 A 89 89 GLY CA C 89 43.700 46.264 -2.564 1
1 1057 . 17 1 1 A 89 89 GLY N N 89 107.900 109.488 -1.588 1
1 1058 . 17 1 1 A 90 90 ASP H H 90 8.630 8.596 0.034 1
1 1059 . 17 1 1 A 90 90 ASP HA H 90 4.480 5.194 -0.714 1
1 1062 . 17 1 1 A 90 90 ASP CA C 90 54.600 54.105 0.495 1
1 1063 . 17 1 1 A 90 90 ASP CB C 90 40.500 45.007 -4.507 1
1 1064 . 17 1 1 A 90 90 ASP N N 90 120.700 123.665 -2.965 1
1 1065 . 17 1 1 A 91 91 ASN H H 91 8.930 8.784 0.146 1
1 1066 . 17 1 1 A 91 91 ASN HA H 91 4.580 5.246 -0.666 1
1 1071 . 17 1 1 A 91 91 ASN CA C 91 51.100 50.216 0.884 1
1 1072 . 17 1 1 A 91 91 ASN CB C 91 39.100 39.480 -0.380 1
1 1073 . 17 1 1 A 91 91 ASN N N 91 122.700 123.201 -0.501 1
1 1075 . 17 1 1 A 92 92 PRO HA H 92 4.490 4.263 0.227 1
1 1082 . 17 1 1 A 92 92 PRO CA C 92 63.500 63.893 -0.393 1
1 1083 . 17 1 1 A 92 92 PRO CB C 92 32.300 31.648 0.652 1
1 1086 . 17 1 1 A 93 93 ALA H H 93 8.610 7.865 0.745 1
1 1087 . 17 1 1 A 93 93 ALA HA H 93 4.450 3.805 0.645 1
1 1091 . 17 1 1 A 93 93 ALA CA C 93 52.000 54.732 -2.732 1
1 1092 . 17 1 1 A 93 93 ALA CB C 93 18.100 19.083 -0.983 1
1 1093 . 17 1 1 A 93 93 ALA N N 93 120.500 118.672 1.828 1
1 1094 . 17 1 1 A 94 94 ARG H H 94 7.280 7.944 -0.664 1
1 1095 . 17 1 1 A 94 94 ARG HA H 94 3.830 4.266 -0.436 1
1 1102 . 17 1 1 A 94 94 ARG CA C 94 55.500 56.044 -0.544 1
1 1103 . 17 1 1 A 94 94 ARG CB C 94 30.500 30.727 -0.227 1
1 1106 . 17 1 1 A 94 94 ARG N N 94 118.100 118.347 -0.247 1
1 1107 . 17 1 1 A 95 95 TRP H H 95 7.310 9.033 -1.723 1
1 1108 . 17 1 1 A 95 95 TRP HA H 95 4.610 5.098 -0.488 1
1 1117 . 17 1 1 A 95 95 TRP CA C 95 55.200 55.676 -0.476 1
1 1118 . 17 1 1 A 95 95 TRP CB C 95 29.500 32.582 -3.082 1
1 1124 . 17 1 1 A 95 95 TRP N N 95 121.200 126.997 -5.797 1
1 1126 . 17 1 1 A 96 96 ARG H H 96 8.380 8.853 -0.473 1
1 1127 . 17 1 1 A 96 96 ARG HA H 96 4.140 4.704 -0.564 1
1 1134 . 17 1 1 A 96 96 ARG CA C 96 57.200 56.932 0.268 1
1 1135 . 17 1 1 A 96 96 ARG CB C 96 29.900 31.781 -1.881 1
1 1138 . 17 1 1 A 96 96 ARG N N 96 122.100 120.372 1.728 1
1 1139 . 17 1 1 A 97 97 GLY H H 97 7.920 7.726 0.194 1
1 1140 . 17 1 1 A 97 97 GLY HA2 H 97 3.710 4.208 -0.498 1
1 1141 . 17 1 1 A 97 97 GLY HA3 H 97 3.630 4.218 -0.588 1
1 1142 . 17 1 1 A 97 97 GLY CA C 97 45.700 45.812 -0.112 1
1 1143 . 17 1 1 A 97 97 GLY N N 97 110.500 106.466 4.034 1
1 1144 . 17 1 1 A 98 98 TYR H H 98 7.770 8.020 -0.250 1
1 1145 . 17 1 1 A 98 98 TYR HA H 98 4.090 3.905 0.185 1
1 1152 . 17 1 1 A 98 98 TYR CA C 98 59.900 60.654 -0.754 1
1 1153 . 17 1 1 A 98 98 TYR CB C 98 37.100 38.165 -1.065 1
1 1156 . 17 1 1 A 98 98 TYR N N 98 120.400 120.907 -0.507 1
1 1157 . 17 1 1 A 99 99 LEU H H 99 7.820 7.727 0.093 1
1 1158 . 17 1 1 A 99 99 LEU HA H 99 3.890 4.009 -0.119 1
1 1168 . 17 1 1 A 99 99 LEU CA C 99 55.600 56.035 -0.435 1
1 1169 . 17 1 1 A 99 99 LEU CB C 99 41.600 42.623 -1.023 1
1 1173 . 17 1 1 A 99 99 LEU N N 99 120.700 118.764 1.936 1
1 1174 . 17 1 1 A 100 100 GLU H H 100 7.680 7.583 0.097 1
1 1175 . 17 1 1 A 100 100 GLU HA H 100 3.900 4.638 -0.738 1
1 1180 . 17 1 1 A 100 100 GLU CA C 100 56.500 55.886 0.614 1
1 1181 . 17 1 1 A 100 100 GLU CB C 100 29.500 33.696 -4.196 1
1 13 . 18 1 1 A 2 2 THR H H 2 9.230 8.523 0.707 1
1 14 . 18 1 1 A 2 2 THR HA H 2 5.080 4.803 0.277 1
1 19 . 18 1 1 A 2 2 THR CA C 2 61.000 60.334 0.666 1
1 20 . 18 1 1 A 2 2 THR CB C 2 70.800 71.706 -0.906 1
1 22 . 18 1 1 A 2 2 THR N N 2 119.100 116.906 2.194 1
1 23 . 18 1 1 A 3 3 PHE H H 3 9.290 9.523 -0.233 1
1 24 . 18 1 1 A 3 3 PHE HA H 3 3.880 4.115 -0.235 1
1 32 . 18 1 1 A 3 3 PHE CA C 3 63.900 62.276 1.624 1
1 33 . 18 1 1 A 3 3 PHE CB C 3 38.800 39.301 -0.501 1
1 37 . 18 1 1 A 3 3 PHE N N 3 122.600 123.809 -1.209 1
1 38 . 18 1 1 A 4 4 SER H H 4 9.930 8.041 1.889 1
1 39 . 18 1 1 A 4 4 SER HA H 4 4.000 4.180 -0.180 1
1 42 . 18 1 1 A 4 4 SER CA C 4 62.800 61.523 1.277 1
1 43 . 18 1 1 A 4 4 SER CB C 4 62.600 62.832 -0.232 1
1 44 . 18 1 1 A 4 4 SER N N 4 116.300 116.243 0.057 1
1 45 . 18 1 1 A 5 5 GLU H H 5 7.980 7.522 0.458 1
1 46 . 18 1 1 A 5 5 GLU HA H 5 3.990 4.060 -0.070 1
1 51 . 18 1 1 A 5 5 GLU CA C 5 58.800 58.905 -0.105 1
1 52 . 18 1 1 A 5 5 GLU CB C 5 29.700 29.945 -0.245 1
1 54 . 18 1 1 A 5 5 GLU N N 5 122.800 121.172 1.628 1
1 55 . 18 1 1 A 6 6 CYS H H 6 8.430 7.988 0.442 1
1 56 . 18 1 1 A 6 6 CYS HA H 6 4.120 4.156 -0.036 1
1 59 . 18 1 1 A 6 6 CYS CA C 6 63.300 61.867 1.433 1
1 60 . 18 1 1 A 6 6 CYS CB C 6 27.100 27.098 0.002 1
1 61 . 18 1 1 A 6 6 CYS N N 6 120.100 119.484 0.616 1
1 62 . 18 1 1 A 7 7 ALA H H 7 8.770 8.107 0.663 1
1 63 . 18 1 1 A 7 7 ALA HA H 7 3.790 3.900 -0.110 1
1 67 . 18 1 1 A 7 7 ALA CA C 7 55.200 54.888 0.312 1
1 68 . 18 1 1 A 7 7 ALA CB C 7 17.400 17.838 -0.438 1
1 69 . 18 1 1 A 7 7 ALA N N 7 120.400 122.374 -1.974 1
1 70 . 18 1 1 A 8 8 ALA H H 8 7.800 8.087 -0.287 1
1 71 . 18 1 1 A 8 8 ALA HA H 8 4.130 4.166 -0.036 1
1 75 . 18 1 1 A 8 8 ALA CA C 8 55.200 55.107 0.093 1
1 76 . 18 1 1 A 8 8 ALA CB C 8 17.700 18.066 -0.366 1
1 77 . 18 1 1 A 8 8 ALA N N 8 119.200 120.924 -1.724 1
1 78 . 18 1 1 A 9 9 LEU H H 9 8.120 8.268 -0.148 1
1 79 . 18 1 1 A 9 9 LEU HA H 9 4.080 3.987 0.093 1
1 89 . 18 1 1 A 9 9 LEU CA C 9 57.700 57.827 -0.127 1
1 90 . 18 1 1 A 9 9 LEU CB C 9 42.000 42.063 -0.063 1
1 94 . 18 1 1 A 9 9 LEU N N 9 120.300 119.053 1.247 1
1 95 . 18 1 1 A 10 10 TYR H H 10 8.700 8.219 0.481 1
1 96 . 18 1 1 A 10 10 TYR HA H 10 2.330 3.202 -0.872 1
1 103 . 18 1 1 A 10 10 TYR CA C 10 62.000 60.768 1.232 1
1 104 . 18 1 1 A 10 10 TYR CB C 10 38.100 38.168 -0.068 1
1 107 . 18 1 1 A 10 10 TYR N N 10 122.900 118.499 4.401 1
1 108 . 18 1 1 A 11 11 ILE H H 11 8.600 8.322 0.278 1
1 109 . 18 1 1 A 11 11 ILE HA H 11 3.270 3.616 -0.346 1
1 119 . 18 1 1 A 11 11 ILE CA C 11 65.600 65.005 0.595 1
1 120 . 18 1 1 A 11 11 ILE CB C 11 38.200 37.807 0.393 1
1 124 . 18 1 1 A 11 11 ILE N N 11 123.900 120.844 3.056 1
1 125 . 18 1 1 A 12 12 LYS H H 12 7.910 8.563 -0.653 1
1 126 . 18 1 1 A 12 12 LYS HA H 12 3.870 4.042 -0.172 1
1 135 . 18 1 1 A 12 12 LYS CA C 12 59.900 59.137 0.763 1
1 136 . 18 1 1 A 12 12 LYS CB C 12 32.600 32.212 0.388 1
1 140 . 18 1 1 A 12 12 LYS N N 12 120.600 119.184 1.416 1
1 141 . 18 1 1 A 13 13 ALA H H 13 7.790 7.653 0.137 1
1 142 . 18 1 1 A 13 13 ALA HA H 13 4.100 3.933 0.167 1
1 146 . 18 1 1 A 13 13 ALA CA C 13 53.200 53.965 -0.765 1
1 147 . 18 1 1 A 13 13 ALA CB C 13 18.200 18.075 0.125 1
1 148 . 18 1 1 A 13 13 ALA N N 13 118.100 120.327 -2.227 1
1 149 . 18 1 1 A 14 14 HIS H H 14 7.160 7.575 -0.415 1
1 150 . 18 1 1 A 14 14 HIS HA H 14 3.990 4.256 -0.266 1
1 155 . 18 1 1 A 14 14 HIS CA C 14 56.500 54.820 1.680 1
1 156 . 18 1 1 A 14 14 HIS CB C 14 27.000 29.093 -2.093 1
1 159 . 18 1 1 A 14 14 HIS N N 14 113.200 115.291 -2.091 1
1 160 . 18 1 1 A 15 15 ARG H H 15 7.420 7.676 -0.256 1
1 161 . 18 1 1 A 15 15 ARG HA H 15 3.760 4.047 -0.287 1
1 168 . 18 1 1 A 15 15 ARG CA C 15 59.800 58.139 1.661 1
1 169 . 18 1 1 A 15 15 ARG CB C 15 29.800 29.302 0.498 1
1 172 . 18 1 1 A 15 15 ARG N N 15 121.100 119.604 1.496 1
1 173 . 18 1 1 A 16 16 SER H H 16 8.540 7.802 0.738 1
1 174 . 18 1 1 A 16 16 SER HA H 16 4.230 4.126 0.104 1
1 177 . 18 1 1 A 16 16 SER CA C 16 60.800 61.732 -0.932 1
1 178 . 18 1 1 A 16 16 SER CB C 16 62.200 62.935 -0.735 1
1 179 . 18 1 1 A 16 16 SER N N 16 114.100 117.763 -3.663 1
1 180 . 18 1 1 A 17 17 SER H H 17 7.680 7.558 0.122 1
1 181 . 18 1 1 A 17 17 SER HA H 17 4.370 4.142 0.228 1
1 184 . 18 1 1 A 17 17 SER CA C 17 59.800 61.095 -1.295 1
1 185 . 18 1 1 A 17 17 SER CB C 17 63.100 63.005 0.095 1
1 186 . 18 1 1 A 17 17 SER N N 17 116.700 115.844 0.856 1
1 187 . 18 1 1 A 18 18 TRP H H 18 7.640 7.323 0.317 1
1 188 . 18 1 1 A 18 18 TRP HA H 18 4.990 4.663 0.327 1
1 197 . 18 1 1 A 18 18 TRP CA C 18 55.200 57.158 -1.958 1
1 198 . 18 1 1 A 18 18 TRP CB C 18 29.500 28.843 0.657 1
1 204 . 18 1 1 A 18 18 TRP N N 18 121.200 119.190 2.010 1
1 206 . 18 1 1 A 19 19 LYS H H 19 7.920 7.638 0.282 1
1 207 . 18 1 1 A 19 19 LYS HA H 19 4.180 4.789 -0.609 1
1 216 . 18 1 1 A 19 19 LYS CA C 19 58.100 54.854 3.246 1
1 217 . 18 1 1 A 19 19 LYS CB C 19 32.200 34.256 -2.056 1
1 221 . 18 1 1 A 19 19 LYS N N 19 121.100 122.210 -1.110 1
1 222 . 18 1 1 A 20 20 ASN H H 20 8.630 8.899 -0.269 1
1 223 . 18 1 1 A 20 20 ASN HA H 20 4.760 4.918 -0.158 1
1 228 . 18 1 1 A 20 20 ASN CA C 20 53.600 52.466 1.134 1
1 229 . 18 1 1 A 20 20 ASN CB C 20 38.200 38.696 -0.496 1
1 230 . 18 1 1 A 20 20 ASN N N 20 116.500 126.013 -9.513 1
1 232 . 18 1 1 A 21 21 THR H H 21 8.320 7.625 0.695 1
1 233 . 18 1 1 A 21 21 THR HA H 21 4.470 4.281 0.189 1
1 238 . 18 1 1 A 21 21 THR CA C 21 62.500 61.889 0.611 1
1 239 . 18 1 1 A 21 21 THR CB C 21 70.700 70.368 0.332 1
1 241 . 18 1 1 A 21 21 THR N N 21 113.700 112.546 1.154 1
1 242 . 18 1 1 A 22 22 LYS H H 22 8.440 9.165 -0.725 1
1 243 . 18 1 1 A 22 22 LYS HA H 22 4.500 4.415 0.085 1
1 252 . 18 1 1 A 22 22 LYS CA C 22 56.700 57.225 -0.525 1
1 253 . 18 1 1 A 22 22 LYS CB C 22 31.700 31.831 -0.131 1
1 257 . 18 1 1 A 22 22 LYS N N 22 120.900 121.559 -0.659 1
1 258 . 18 1 1 A 23 23 HIS H H 23 8.110 7.882 0.228 1
1 259 . 18 1 1 A 23 23 HIS HA H 23 4.450 4.243 0.207 1
1 264 . 18 1 1 A 23 23 HIS CA C 23 57.300 59.322 -2.022 1
1 265 . 18 1 1 A 23 23 HIS CB C 23 27.900 29.023 -1.123 1
1 268 . 18 1 1 A 23 23 HIS N N 23 116.800 119.190 -2.390 1
1 269 . 18 1 1 A 24 24 ALA H H 24 8.490 8.253 0.237 1
1 270 . 18 1 1 A 24 24 ALA HA H 24 4.000 3.893 0.107 1
1 274 . 18 1 1 A 24 24 ALA CA C 24 55.700 55.022 0.678 1
1 275 . 18 1 1 A 24 24 ALA CB C 24 18.000 18.265 -0.265 1
1 276 . 18 1 1 A 24 24 ALA N N 24 121.700 121.753 -0.053 1
1 277 . 18 1 1 A 25 25 ASP H H 25 8.370 8.354 0.016 1
1 278 . 18 1 1 A 25 25 ASP HA H 25 4.450 4.363 0.087 1
1 281 . 18 1 1 A 25 25 ASP CA C 25 56.800 57.705 -0.905 1
1 282 . 18 1 1 A 25 25 ASP CB C 25 40.200 41.209 -1.009 1
1 283 . 18 1 1 A 25 25 ASP N N 25 119.100 118.441 0.659 1
1 284 . 18 1 1 A 26 26 GLN H H 26 8.020 8.425 -0.405 1
1 285 . 18 1 1 A 26 26 GLN HA H 26 4.250 4.007 0.243 1
1 292 . 18 1 1 A 26 26 GLN CA C 26 58.600 58.901 -0.301 1
1 293 . 18 1 1 A 26 26 GLN CB C 26 28.500 28.401 0.099 1
1 295 . 18 1 1 A 26 26 GLN N N 26 119.500 117.161 2.339 1
1 297 . 18 1 1 A 27 27 TRP H H 27 8.610 8.443 0.167 1
1 298 . 18 1 1 A 27 27 TRP HA H 27 3.840 4.378 -0.538 1
1 307 . 18 1 1 A 27 27 TRP CA C 27 62.400 59.528 2.872 1
1 308 . 18 1 1 A 27 27 TRP CB C 27 28.300 29.177 -0.877 1
1 314 . 18 1 1 A 27 27 TRP N N 27 122.000 121.106 0.894 1
1 316 . 18 1 1 A 28 28 THR H H 28 8.460 7.854 0.606 1
1 317 . 18 1 1 A 28 28 THR HA H 28 3.790 4.115 -0.325 1
1 322 . 18 1 1 A 28 28 THR CA C 28 67.000 67.133 -0.133 1
1 323 . 18 1 1 A 28 28 THR CB C 28 68.900 68.129 0.771 1
1 325 . 18 1 1 A 28 28 THR N N 28 114.800 115.388 -0.588 1
1 326 . 18 1 1 A 29 29 ASN H H 29 8.650 8.830 -0.180 1
1 327 . 18 1 1 A 29 29 ASN HA H 29 4.530 4.371 0.159 1
1 332 . 18 1 1 A 29 29 ASN CA C 29 56.600 56.450 0.150 1
1 333 . 18 1 1 A 29 29 ASN CB C 29 38.400 39.333 -0.933 1
1 334 . 18 1 1 A 29 29 ASN N N 29 118.500 119.399 -0.899 1
1 336 . 18 1 1 A 30 30 THR H H 30 8.170 7.913 0.257 1
1 337 . 18 1 1 A 30 30 THR HA H 30 4.160 4.119 0.041 1
1 342 . 18 1 1 A 30 30 THR CA C 30 66.100 67.090 -0.990 1
1 343 . 18 1 1 A 30 30 THR CB C 30 69.300 67.836 1.464 1
1 345 . 18 1 1 A 30 30 THR N N 30 113.100 115.305 -2.205 1
1 346 . 18 1 1 A 31 31 ILE H H 31 8.030 7.536 0.494 1
1 347 . 18 1 1 A 31 31 ILE HA H 31 3.850 3.667 0.183 1
1 357 . 18 1 1 A 31 31 ILE CA C 31 65.200 65.678 -0.478 1
1 358 . 18 1 1 A 31 31 ILE CB C 31 36.300 37.584 -1.284 1
1 362 . 18 1 1 A 31 31 ILE N N 31 122.000 121.426 0.574 1
1 363 . 18 1 1 A 32 32 LYS H H 32 8.320 8.768 -0.448 1
1 364 . 18 1 1 A 32 32 LYS HA H 32 4.090 3.974 0.116 1
1 373 . 18 1 1 A 32 32 LYS CA C 32 60.500 59.565 0.935 1
1 374 . 18 1 1 A 32 32 LYS CB C 32 32.500 32.133 0.367 1
1 378 . 18 1 1 A 32 32 LYS N N 32 121.300 121.550 -0.250 1
1 379 . 18 1 1 A 33 33 THR H H 33 8.160 7.500 0.660 1
1 380 . 18 1 1 A 33 33 THR HA H 33 3.690 3.905 -0.215 1
1 385 . 18 1 1 A 33 33 THR CA C 33 66.500 66.290 0.210 1
1 386 . 18 1 1 A 33 33 THR CB C 33 69.200 68.908 0.292 1
1 388 . 18 1 1 A 33 33 THR N N 33 113.400 116.388 -2.988 1
1 389 . 18 1 1 A 34 34 TYR H H 34 7.640 7.808 -0.168 1
1 390 . 18 1 1 A 34 34 TYR HA H 34 4.670 4.366 0.304 1
1 397 . 18 1 1 A 34 34 TYR CA C 34 59.800 60.289 -0.489 1
1 398 . 18 1 1 A 34 34 TYR CB C 34 39.800 39.032 0.768 1
1 401 . 18 1 1 A 34 34 TYR N N 34 113.700 118.728 -5.028 1
1 402 . 18 1 1 A 35 35 CYS H H 35 8.170 8.320 -0.150 1
1 403 . 18 1 1 A 35 35 CYS HA H 35 4.470 4.280 0.190 1
1 406 . 18 1 1 A 35 35 CYS CA C 35 60.700 63.127 -2.427 1
1 407 . 18 1 1 A 35 35 CYS CB C 35 27.700 27.320 0.380 1
1 408 . 18 1 1 A 35 35 CYS N N 35 113.100 118.385 -5.285 1
1 409 . 18 1 1 A 36 36 GLY H H 36 8.110 8.444 -0.334 1
1 410 . 18 1 1 A 36 36 GLY HA2 H 36 3.880 3.776 0.104 1
1 411 . 18 1 1 A 36 36 GLY HA3 H 36 4.480 3.813 0.667 1
1 412 . 18 1 1 A 36 36 GLY CA C 36 49.400 48.242 1.158 1
1 413 . 18 1 1 A 36 36 GLY N N 36 110.800 109.915 0.885 1
1 414 . 18 1 1 A 37 37 PRO HA H 37 4.470 4.363 0.107 1
1 421 . 18 1 1 A 37 37 PRO CA C 37 64.400 65.019 -0.619 1
1 422 . 18 1 1 A 37 37 PRO CB C 37 32.700 31.357 1.343 1
1 425 . 18 1 1 A 38 38 VAL H H 38 7.270 7.611 -0.341 1
1 426 . 18 1 1 A 38 38 VAL HA H 38 4.190 4.105 0.085 1
1 434 . 18 1 1 A 38 38 VAL CA C 38 63.600 63.295 0.305 1
1 435 . 18 1 1 A 38 38 VAL CB C 38 34.800 32.077 2.723 1
1 438 . 18 1 1 A 38 38 VAL N N 38 113.900 115.462 -1.562 1
1 439 . 18 1 1 A 39 39 ILE H H 39 7.590 7.785 -0.195 1
1 440 . 18 1 1 A 39 39 ILE HA H 39 4.590 4.166 0.424 1
1 450 . 18 1 1 A 39 39 ILE CA C 39 60.500 61.514 -1.014 1
1 451 . 18 1 1 A 39 39 ILE CB C 39 39.500 37.574 1.926 1
1 455 . 18 1 1 A 39 39 ILE N N 39 107.400 115.868 -8.468 1
1 456 . 18 1 1 A 40 40 GLY H H 40 7.670 7.998 -0.328 1
1 457 . 18 1 1 A 40 40 GLY HA2 H 40 4.040 3.856 0.184 1
1 458 . 18 1 1 A 40 40 GLY HA3 H 40 4.430 3.966 0.464 1
1 459 . 18 1 1 A 40 40 GLY CA C 40 49.400 48.261 1.139 1
1 460 . 18 1 1 A 40 40 GLY N N 40 109.200 112.387 -3.187 1
1 461 . 18 1 1 A 41 41 PRO HA H 41 4.770 4.429 0.341 1
1 468 . 18 1 1 A 41 41 PRO CA C 41 63.200 64.001 -0.801 1
1 469 . 18 1 1 A 41 41 PRO CB C 41 31.800 31.663 0.137 1
1 472 . 18 1 1 A 42 42 LEU H H 42 7.540 7.533 0.007 1
1 473 . 18 1 1 A 42 42 LEU HA H 42 4.320 4.384 -0.064 1
1 483 . 18 1 1 A 42 42 LEU CA C 42 54.000 54.585 -0.585 1
1 484 . 18 1 1 A 42 42 LEU CB C 42 42.000 42.875 -0.875 1
1 488 . 18 1 1 A 42 42 LEU N N 42 119.600 119.837 -0.237 1
1 489 . 18 1 1 A 43 43 SER H H 43 8.880 8.678 0.202 1
1 490 . 18 1 1 A 43 43 SER HA H 43 4.510 4.690 -0.180 1
1 493 . 18 1 1 A 43 43 SER CA C 43 58.600 59.408 -0.808 1
1 494 . 18 1 1 A 43 43 SER CB C 43 63.000 63.636 -0.636 1
1 495 . 18 1 1 A 43 43 SER N N 43 116.100 118.122 -2.022 1
1 496 . 18 1 1 A 44 44 VAL H H 44 9.020 8.653 0.367 1
1 497 . 18 1 1 A 44 44 VAL HA H 44 3.920 4.093 -0.173 1
1 505 . 18 1 1 A 44 44 VAL CA C 44 65.900 64.853 1.047 1
1 506 . 18 1 1 A 44 44 VAL CB C 44 32.100 32.052 0.048 1
1 509 . 18 1 1 A 44 44 VAL N N 44 124.400 126.417 -2.017 1
1 510 . 18 1 1 A 45 45 GLN H H 45 8.700 8.039 0.661 1
1 511 . 18 1 1 A 45 45 GLN HA H 45 4.170 4.142 0.028 1
1 518 . 18 1 1 A 45 45 GLN CA C 45 57.400 58.598 -1.198 1
1 519 . 18 1 1 A 45 45 GLN CB C 45 29.000 28.411 0.589 1
1 521 . 18 1 1 A 45 45 GLN N N 45 120.500 120.986 -0.486 1
1 523 . 18 1 1 A 46 46 ASP H H 46 7.870 7.765 0.105 1
1 524 . 18 1 1 A 46 46 ASP HA H 46 4.720 4.636 0.084 1
1 527 . 18 1 1 A 46 46 ASP CA C 46 54.400 55.326 -0.926 1
1 528 . 18 1 1 A 46 46 ASP CB C 46 40.800 41.673 -0.873 1
1 529 . 18 1 1 A 46 46 ASP N N 46 117.200 117.459 -0.259 1
1 530 . 18 1 1 A 47 47 VAL H H 47 6.970 7.279 -0.309 1
1 531 . 18 1 1 A 47 47 VAL HA H 47 3.490 3.891 -0.401 1
1 539 . 18 1 1 A 47 47 VAL CA C 47 65.200 63.092 2.108 1
1 540 . 18 1 1 A 47 47 VAL CB C 47 31.100 31.617 -0.517 1
1 543 . 18 1 1 A 47 47 VAL N N 47 118.500 119.918 -1.418 1
1 544 . 18 1 1 A 48 48 ASP H H 48 7.220 8.044 -0.824 1
1 545 . 18 1 1 A 48 48 ASP HA H 48 4.910 4.929 -0.019 1
1 548 . 18 1 1 A 48 48 ASP CA C 48 51.600 51.674 -0.074 1
1 549 . 18 1 1 A 48 48 ASP CB C 48 42.700 42.367 0.333 1
1 550 . 18 1 1 A 48 48 ASP N N 48 128.000 128.934 -0.934 1
1 551 . 18 1 1 A 49 49 THR H H 49 8.490 8.572 -0.082 1
1 552 . 18 1 1 A 49 49 THR HA H 49 3.770 3.661 0.109 1
1 557 . 18 1 1 A 49 49 THR CA C 49 67.300 66.852 0.448 1
1 558 . 18 1 1 A 49 49 THR CB C 49 68.900 68.617 0.283 1
1 560 . 18 1 1 A 49 49 THR N N 49 115.800 112.513 3.287 1
1 561 . 18 1 1 A 50 50 LYS H H 50 7.860 8.440 -0.580 1
1 562 . 18 1 1 A 50 50 LYS HA H 50 3.860 4.167 -0.307 1
1 571 . 18 1 1 A 50 50 LYS CA C 50 60.000 59.392 0.608 1
1 572 . 18 1 1 A 50 50 LYS CB C 50 31.600 32.139 -0.539 1
1 576 . 18 1 1 A 50 50 LYS N N 50 120.500 120.941 -0.441 1
1 577 . 18 1 1 A 51 51 LEU H H 51 8.190 8.007 0.183 1
1 578 . 18 1 1 A 51 51 LEU HA H 51 4.050 4.038 0.012 1
1 588 . 18 1 1 A 51 51 LEU CA C 51 57.600 58.041 -0.441 1
1 589 . 18 1 1 A 51 51 LEU CB C 51 42.400 41.572 0.828 1
1 593 . 18 1 1 A 51 51 LEU N N 51 120.600 119.184 1.416 1
1 594 . 18 1 1 A 52 52 ILE H H 52 7.850 7.824 0.026 1
1 595 . 18 1 1 A 52 52 ILE HA H 52 3.440 3.571 -0.131 1
1 605 . 18 1 1 A 52 52 ILE CA C 52 65.200 64.772 0.428 1
1 606 . 18 1 1 A 52 52 ILE CB C 52 36.700 36.950 -0.250 1
1 610 . 18 1 1 A 52 52 ILE N N 52 118.600 120.354 -1.754 1
1 611 . 18 1 1 A 53 53 MET H H 53 8.540 8.349 0.191 1
1 612 . 18 1 1 A 53 53 MET HA H 53 4.040 4.128 -0.088 1
1 620 . 18 1 1 A 53 53 MET CA C 53 59.000 59.450 -0.450 1
1 621 . 18 1 1 A 53 53 MET CB C 53 31.300 32.728 -1.428 1
1 624 . 18 1 1 A 53 53 MET N N 53 118.600 118.977 -0.377 1
1 625 . 18 1 1 A 54 54 LYS H H 54 7.620 7.883 -0.263 1
1 626 . 18 1 1 A 54 54 LYS HA H 54 4.140 4.178 -0.038 1
1 635 . 18 1 1 A 54 54 LYS CA C 54 59.200 58.940 0.260 1
1 636 . 18 1 1 A 54 54 LYS CB C 54 32.300 32.526 -0.226 1
1 640 . 18 1 1 A 54 54 LYS N N 54 119.100 118.696 0.404 1
1 641 . 18 1 1 A 55 55 VAL H H 55 7.560 7.266 0.294 1
1 642 . 18 1 1 A 55 55 VAL HA H 55 3.670 3.580 0.090 1
1 650 . 18 1 1 A 55 55 VAL CA C 55 65.600 66.007 -0.407 1
1 651 . 18 1 1 A 55 55 VAL CB C 55 31.900 31.634 0.266 1
1 654 . 18 1 1 A 55 55 VAL N N 55 117.200 119.096 -1.896 1
1 655 . 18 1 1 A 56 56 LEU H H 56 7.790 8.088 -0.298 1
1 656 . 18 1 1 A 56 56 LEU HA H 56 3.900 3.827 0.073 1
1 666 . 18 1 1 A 56 56 LEU CA C 56 56.400 57.305 -0.905 1
1 667 . 18 1 1 A 56 56 LEU CB C 56 42.700 41.576 1.124 1
1 671 . 18 1 1 A 56 56 LEU N N 56 114.400 118.626 -4.226 1
1 672 . 18 1 1 A 57 57 ASP H H 57 8.850 8.550 0.300 1
1 673 . 18 1 1 A 57 57 ASP HA H 57 4.140 4.705 -0.565 1
1 676 . 18 1 1 A 57 57 ASP CA C 57 59.100 59.392 -0.292 1
1 677 . 18 1 1 A 57 57 ASP CB C 57 38.200 38.246 -0.046 1
1 678 . 18 1 1 A 57 57 ASP N N 57 120.500 121.113 -0.613 1
1 679 . 18 1 1 A 58 58 PRO HA H 58 4.520 4.446 0.074 1
1 686 . 18 1 1 A 58 58 PRO CA C 58 65.300 65.006 0.294 1
1 687 . 18 1 1 A 58 58 PRO CB C 58 31.700 31.385 0.315 1
1 690 . 18 1 1 A 59 59 ILE H H 59 7.400 7.401 -0.001 1
1 691 . 18 1 1 A 59 59 ILE HA H 59 4.060 3.836 0.224 1
1 701 . 18 1 1 A 59 59 ILE CA C 59 62.300 63.662 -1.362 1
1 702 . 18 1 1 A 59 59 ILE CB C 59 39.300 36.435 2.865 1
1 706 . 18 1 1 A 59 59 ILE N N 59 113.300 116.355 -3.055 1
1 707 . 18 1 1 A 60 60 TRP H H 60 8.000 7.648 0.352 1
1 708 . 18 1 1 A 60 60 TRP HA H 60 3.830 4.349 -0.519 1
1 717 . 18 1 1 A 60 60 TRP CA C 60 61.300 60.234 1.066 1
1 718 . 18 1 1 A 60 60 TRP CB C 60 29.700 29.156 0.544 1
1 724 . 18 1 1 A 60 60 TRP N N 60 120.900 121.295 -0.395 1
1 726 . 18 1 1 A 61 61 GLU H H 61 7.840 8.215 -0.375 1
1 727 . 18 1 1 A 61 61 GLU HA H 61 4.110 4.074 0.036 1
1 732 . 18 1 1 A 61 61 GLU CA C 61 58.100 59.852 -1.752 1
1 733 . 18 1 1 A 61 61 GLU CB C 61 29.500 29.617 -0.117 1
1 735 . 18 1 1 A 61 61 GLU N N 61 112.300 120.621 -8.321 1
1 736 . 18 1 1 A 62 62 GLN H H 62 7.710 7.745 -0.035 1
1 737 . 18 1 1 A 62 62 GLN HA H 62 4.400 4.226 0.174 1
1 744 . 18 1 1 A 62 62 GLN CA C 62 57.200 57.890 -0.690 1
1 745 . 18 1 1 A 62 62 GLN CB C 62 30.800 29.905 0.895 1
1 747 . 18 1 1 A 62 62 GLN N N 62 115.200 118.630 -3.430 1
1 749 . 18 1 1 A 63 63 LYS H H 63 8.500 8.128 0.372 1
1 750 . 18 1 1 A 63 63 LYS HA H 63 4.860 4.731 0.129 1
1 759 . 18 1 1 A 63 63 LYS CA C 63 53.300 53.850 -0.550 1
1 760 . 18 1 1 A 63 63 LYS CB C 63 33.800 32.676 1.124 1
1 764 . 18 1 1 A 63 63 LYS N N 63 117.800 117.605 0.195 1
1 765 . 18 1 1 A 64 64 PRO HA H 64 4.110 4.434 -0.324 1
1 772 . 18 1 1 A 64 64 PRO CA C 64 66.000 65.816 0.184 1
1 773 . 18 1 1 A 64 64 PRO CB C 64 31.500 31.843 -0.343 1
1 776 . 18 1 1 A 65 65 GLU H H 65 8.680 8.209 0.471 1
1 777 . 18 1 1 A 65 65 GLU HA H 65 4.120 4.108 0.012 1
1 782 . 18 1 1 A 65 65 GLU CA C 65 59.300 59.571 -0.271 1
1 783 . 18 1 1 A 65 65 GLU CB C 65 28.500 29.141 -0.641 1
1 785 . 18 1 1 A 65 65 GLU N N 65 117.800 118.336 -0.536 1
1 786 . 18 1 1 A 66 66 THR H H 66 7.370 7.914 -0.544 1
1 787 . 18 1 1 A 66 66 THR HA H 66 3.820 3.724 0.096 1
1 792 . 18 1 1 A 66 66 THR CA C 66 66.200 66.380 -0.180 1
1 793 . 18 1 1 A 66 66 THR CB C 66 68.200 68.447 -0.247 1
1 795 . 18 1 1 A 66 66 THR N N 66 117.800 116.869 0.931 1
1 796 . 18 1 1 A 67 67 ALA H H 67 7.890 8.133 -0.243 1
1 797 . 18 1 1 A 67 67 ALA HA H 67 3.380 3.497 -0.117 1
1 801 . 18 1 1 A 67 67 ALA CA C 67 55.200 54.795 0.405 1
1 802 . 18 1 1 A 67 67 ALA CB C 67 17.400 17.078 0.322 1
1 803 . 18 1 1 A 67 67 ALA N N 67 123.900 123.908 -0.008 1
1 804 . 18 1 1 A 68 68 SER H H 68 7.920 7.538 0.382 1
1 805 . 18 1 1 A 68 68 SER HA H 68 4.070 4.105 -0.035 1
1 808 . 18 1 1 A 68 68 SER CA C 68 61.200 61.190 0.010 1
1 809 . 18 1 1 A 68 68 SER CB C 68 62.700 63.046 -0.346 1
1 810 . 18 1 1 A 68 68 SER N N 68 111.500 113.180 -1.680 1
1 811 . 18 1 1 A 69 69 ARG H H 69 7.840 7.908 -0.068 1
1 812 . 18 1 1 A 69 69 ARG HA H 69 4.010 3.959 0.051 1
1 819 . 18 1 1 A 69 69 ARG CA C 69 58.700 58.689 0.011 1
1 820 . 18 1 1 A 69 69 ARG CB C 69 30.000 29.402 0.598 1
1 823 . 18 1 1 A 69 69 ARG N N 69 121.200 121.883 -0.683 1
1 824 . 18 1 1 A 70 70 LEU H H 70 8.490 8.310 0.180 1
1 825 . 18 1 1 A 70 70 LEU HA H 70 3.740 3.886 -0.146 1
1 835 . 18 1 1 A 70 70 LEU CA C 70 57.500 57.833 -0.333 1
1 836 . 18 1 1 A 70 70 LEU CB C 70 41.100 41.312 -0.212 1
1 840 . 18 1 1 A 70 70 LEU N N 70 121.100 121.545 -0.445 1
1 841 . 18 1 1 A 71 71 ARG H H 71 8.460 8.244 0.216 1
1 842 . 18 1 1 A 71 71 ARG HA H 71 3.540 3.861 -0.321 1
1 850 . 18 1 1 A 71 71 ARG CA C 71 60.700 59.755 0.945 1
1 851 . 18 1 1 A 71 71 ARG CB C 71 28.000 29.730 -1.730 1
1 854 . 18 1 1 A 71 71 ARG N N 71 119.800 118.598 1.202 1
1 856 . 18 1 1 A 72 72 GLY H H 72 7.530 8.443 -0.913 1
1 857 . 18 1 1 A 72 72 GLY HA2 H 72 3.980 3.844 0.136 1
1 858 . 18 1 1 A 72 72 GLY HA3 H 72 3.870 3.897 -0.027 1
1 859 . 18 1 1 A 72 72 GLY CA C 72 47.100 47.453 -0.353 1
1 860 . 18 1 1 A 72 72 GLY N N 72 103.400 106.887 -3.487 1
1 861 . 18 1 1 A 73 73 ARG H H 73 7.800 7.848 -0.048 1
1 862 . 18 1 1 A 73 73 ARG HA H 73 3.930 4.023 -0.093 1
1 869 . 18 1 1 A 73 73 ARG CA C 73 59.400 58.644 0.756 1
1 870 . 18 1 1 A 73 73 ARG CB C 73 29.500 29.184 0.316 1
1 873 . 18 1 1 A 73 73 ARG N N 73 122.800 120.956 1.844 1
1 874 . 18 1 1 A 74 74 ILE H H 74 8.420 8.214 0.206 1
1 875 . 18 1 1 A 74 74 ILE HA H 74 3.440 3.858 -0.418 1
1 885 . 18 1 1 A 74 74 ILE CA C 74 66.500 65.653 0.847 1
1 886 . 18 1 1 A 74 74 ILE CB C 74 38.300 37.794 0.506 1
1 890 . 18 1 1 A 74 74 ILE N N 74 118.800 121.246 -2.446 1
1 891 . 18 1 1 A 75 75 GLU H H 75 8.620 8.495 0.125 1
1 892 . 18 1 1 A 75 75 GLU HA H 75 3.840 4.033 -0.193 1
1 897 . 18 1 1 A 75 75 GLU CA C 75 59.900 59.804 0.096 1
1 898 . 18 1 1 A 75 75 GLU CB C 75 29.400 29.633 -0.233 1
1 900 . 18 1 1 A 75 75 GLU N N 75 119.200 121.997 -2.797 1
1 901 . 18 1 1 A 76 76 SER H H 76 8.380 7.650 0.730 1
1 902 . 18 1 1 A 76 76 SER HA H 76 4.460 4.190 0.270 1
1 905 . 18 1 1 A 76 76 SER CA C 76 62.900 62.646 0.254 1
1 906 . 18 1 1 A 76 76 SER CB C 76 63.000 63.103 -0.103 1
1 907 . 18 1 1 A 76 76 SER N N 76 116.000 117.029 -1.029 1
1 908 . 18 1 1 A 77 77 VAL H H 77 8.190 7.684 0.506 1
1 909 . 18 1 1 A 77 77 VAL HA H 77 3.290 3.244 0.046 1
1 917 . 18 1 1 A 77 77 VAL CA C 77 66.800 66.786 0.014 1
1 918 . 18 1 1 A 77 77 VAL CB C 77 31.400 31.654 -0.254 1
1 921 . 18 1 1 A 77 77 VAL N N 77 122.800 121.847 0.953 1
1 922 . 18 1 1 A 78 78 LEU H H 78 8.590 8.503 0.087 1
1 923 . 18 1 1 A 78 78 LEU HA H 78 4.270 4.037 0.233 1
1 933 . 18 1 1 A 78 78 LEU CA C 78 57.800 58.192 -0.392 1
1 934 . 18 1 1 A 78 78 LEU CB C 78 40.900 41.046 -0.146 1
1 938 . 18 1 1 A 78 78 LEU N N 78 116.900 118.765 -1.865 1
1 939 . 18 1 1 A 79 79 ASP H H 79 8.790 8.215 0.575 1
1 940 . 18 1 1 A 79 79 ASP HA H 79 4.730 4.418 0.312 1
1 943 . 18 1 1 A 79 79 ASP CA C 79 57.900 57.064 0.836 1
1 944 . 18 1 1 A 79 79 ASP CB C 79 40.400 40.553 -0.153 1
1 945 . 18 1 1 A 79 79 ASP N N 79 123.800 119.122 4.678 1
1 946 . 18 1 1 A 80 80 TRP H H 80 8.210 7.846 0.364 1
1 947 . 18 1 1 A 80 80 TRP HA H 80 4.380 4.304 0.076 1
1 956 . 18 1 1 A 80 80 TRP CA C 80 61.600 60.561 1.039 1
1 957 . 18 1 1 A 80 80 TRP CB C 80 29.100 29.533 -0.433 1
1 963 . 18 1 1 A 80 80 TRP N N 80 123.700 123.109 0.591 1
1 965 . 18 1 1 A 81 81 ALA H H 81 8.980 8.431 0.549 1
1 966 . 18 1 1 A 81 81 ALA HA H 81 3.850 3.933 -0.083 1
1 970 . 18 1 1 A 81 81 ALA CA C 81 54.500 55.253 -0.753 1
1 971 . 18 1 1 A 81 81 ALA CB C 81 19.600 18.073 1.527 1
1 972 . 18 1 1 A 81 81 ALA N N 81 118.400 121.329 -2.929 1
1 973 . 18 1 1 A 82 82 THR H H 82 7.990 7.801 0.189 1
1 974 . 18 1 1 A 82 82 THR HA H 82 4.310 3.994 0.316 1
1 979 . 18 1 1 A 82 82 THR CA C 82 65.800 66.964 -1.164 1
1 980 . 18 1 1 A 82 82 THR CB C 82 68.800 67.957 0.843 1
1 982 . 18 1 1 A 82 82 THR N N 82 116.400 114.920 1.480 1
1 983 . 18 1 1 A 83 83 VAL H H 83 7.970 7.970 0.000 1
1 984 . 18 1 1 A 83 83 VAL HA H 83 3.720 3.519 0.201 1
1 992 . 18 1 1 A 83 83 VAL CA C 83 65.900 66.799 -0.899 1
1 993 . 18 1 1 A 83 83 VAL CB C 83 31.400 31.240 0.160 1
1 996 . 18 1 1 A 83 83 VAL N N 83 123.700 121.403 2.297 1
1 997 . 18 1 1 A 84 84 ARG H H 84 7.300 7.464 -0.164 1
1 998 . 18 1 1 A 84 84 ARG HA H 84 3.740 4.128 -0.388 1
1 1005 . 18 1 1 A 84 84 ARG CA C 84 55.300 55.640 -0.340 1
1 1006 . 18 1 1 A 84 84 ARG CB C 84 29.400 30.291 -0.891 1
1 1009 . 18 1 1 A 84 84 ARG N N 84 115.400 118.316 -2.916 1
1 1010 . 18 1 1 A 85 85 GLY H H 85 7.510 7.700 -0.190 1
1 1011 . 18 1 1 A 85 85 GLY HA2 H 85 4.010 3.825 0.185 1
1 1012 . 18 1 1 A 85 85 GLY HA3 H 85 3.830 3.889 -0.059 1
1 1013 . 18 1 1 A 85 85 GLY CA C 85 45.400 46.040 -0.640 1
1 1014 . 18 1 1 A 85 85 GLY N N 85 105.600 107.540 -1.940 1
1 1015 . 18 1 1 A 86 86 TYR H H 86 8.120 8.752 -0.632 1
1 1016 . 18 1 1 A 86 86 TYR HA H 86 4.740 4.386 0.354 1
1 1023 . 18 1 1 A 86 86 TYR CA C 86 55.800 60.224 -4.424 1
1 1024 . 18 1 1 A 86 86 TYR CB C 86 38.000 39.297 -1.297 1
1 1027 . 18 1 1 A 86 86 TYR N N 86 118.700 118.651 0.049 1
1 1028 . 18 1 1 A 87 87 ARG H H 87 7.500 7.761 -0.261 1
1 1029 . 18 1 1 A 87 87 ARG HA H 87 4.710 4.679 0.031 1
1 1037 . 18 1 1 A 87 87 ARG CA C 87 54.100 54.253 -0.153 1
1 1038 . 18 1 1 A 87 87 ARG CB C 87 31.900 33.112 -1.212 1
1 1041 . 18 1 1 A 87 87 ARG N N 87 111.200 116.016 -4.816 1
1 1043 . 18 1 1 A 88 88 GLU H H 88 9.190 8.329 0.861 1
1 1044 . 18 1 1 A 88 88 GLU HA H 88 4.760 4.453 0.307 1
1 1049 . 18 1 1 A 88 88 GLU CA C 88 54.800 56.091 -1.291 1
1 1050 . 18 1 1 A 88 88 GLU CB C 88 32.500 30.844 1.656 1
1 1052 . 18 1 1 A 88 88 GLU N N 88 118.800 120.038 -1.238 1
1 1053 . 18 1 1 A 89 89 GLY H H 89 8.580 8.562 0.018 1
1 1054 . 18 1 1 A 89 89 GLY HA2 H 89 3.850 3.992 -0.142 1
1 1055 . 18 1 1 A 89 89 GLY HA3 H 89 4.500 3.995 0.505 1
1 1056 . 18 1 1 A 89 89 GLY CA C 89 43.700 44.773 -1.073 1
1 1057 . 18 1 1 A 89 89 GLY N N 89 107.900 108.723 -0.823 1
1 1058 . 18 1 1 A 90 90 ASP H H 90 8.630 8.919 -0.289 1
1 1059 . 18 1 1 A 90 90 ASP HA H 90 4.480 4.475 0.005 1
1 1062 . 18 1 1 A 90 90 ASP CA C 90 54.600 54.712 -0.112 1
1 1063 . 18 1 1 A 90 90 ASP CB C 90 40.500 39.528 0.972 1
1 1064 . 18 1 1 A 90 90 ASP N N 90 120.700 120.365 0.335 1
1 1065 . 18 1 1 A 91 91 ASN H H 91 8.930 8.579 0.351 1
1 1066 . 18 1 1 A 91 91 ASN HA H 91 4.580 4.921 -0.341 1
1 1071 . 18 1 1 A 91 91 ASN CA C 91 51.100 50.742 0.358 1
1 1072 . 18 1 1 A 91 91 ASN CB C 91 39.100 40.264 -1.164 1
1 1073 . 18 1 1 A 91 91 ASN N N 91 122.700 123.390 -0.690 1
1 1075 . 18 1 1 A 92 92 PRO HA H 92 4.490 4.367 0.123 1
1 1082 . 18 1 1 A 92 92 PRO CA C 92 63.500 64.086 -0.586 1
1 1083 . 18 1 1 A 92 92 PRO CB C 92 32.300 31.709 0.591 1
1 1086 . 18 1 1 A 93 93 ALA H H 93 8.610 8.544 0.066 1
1 1087 . 18 1 1 A 93 93 ALA HA H 93 4.450 3.809 0.641 1
1 1091 . 18 1 1 A 93 93 ALA CA C 93 52.000 52.032 -0.032 1
1 1092 . 18 1 1 A 93 93 ALA CB C 93 18.100 19.182 -1.082 1
1 1093 . 18 1 1 A 93 93 ALA N N 93 120.500 120.101 0.399 1
1 1094 . 18 1 1 A 94 94 ARG H H 94 7.280 7.708 -0.428 1
1 1095 . 18 1 1 A 94 94 ARG HA H 94 3.830 4.048 -0.218 1
1 1102 . 18 1 1 A 94 94 ARG CA C 94 55.500 59.015 -3.515 1
1 1103 . 18 1 1 A 94 94 ARG CB C 94 30.500 30.110 0.390 1
1 1106 . 18 1 1 A 94 94 ARG N N 94 118.100 118.893 -0.793 1
1 1107 . 18 1 1 A 95 95 TRP H H 95 7.310 7.709 -0.399 1
1 1108 . 18 1 1 A 95 95 TRP HA H 95 4.610 4.835 -0.225 1
1 1117 . 18 1 1 A 95 95 TRP CA C 95 55.200 58.187 -2.987 1
1 1118 . 18 1 1 A 95 95 TRP CB C 95 29.500 28.295 1.205 1
1 1124 . 18 1 1 A 95 95 TRP N N 95 121.200 119.135 2.065 1
1 1126 . 18 1 1 A 96 96 ARG H H 96 8.380 9.072 -0.692 1
1 1127 . 18 1 1 A 96 96 ARG HA H 96 4.140 4.638 -0.498 1
1 1134 . 18 1 1 A 96 96 ARG CA C 96 57.200 56.720 0.480 1
1 1135 . 18 1 1 A 96 96 ARG CB C 96 29.900 31.813 -1.913 1
1 1138 . 18 1 1 A 96 96 ARG N N 96 122.100 123.816 -1.716 1
1 1139 . 18 1 1 A 97 97 GLY H H 97 7.920 7.691 0.229 1
1 1140 . 18 1 1 A 97 97 GLY HA2 H 97 3.710 4.259 -0.549 1
1 1141 . 18 1 1 A 97 97 GLY HA3 H 97 3.630 4.286 -0.656 1
1 1142 . 18 1 1 A 97 97 GLY CA C 97 45.700 45.806 -0.106 1
1 1143 . 18 1 1 A 97 97 GLY N N 97 110.500 104.686 5.814 1
1 1144 . 18 1 1 A 98 98 TYR H H 98 7.770 8.559 -0.789 1
1 1145 . 18 1 1 A 98 98 TYR HA H 98 4.090 4.035 0.055 1
1 1152 . 18 1 1 A 98 98 TYR CA C 98 59.900 60.862 -0.962 1
1 1153 . 18 1 1 A 98 98 TYR CB C 98 37.100 38.944 -1.844 1
1 1156 . 18 1 1 A 98 98 TYR N N 98 120.400 124.415 -4.015 1
1 1157 . 18 1 1 A 99 99 LEU H H 99 7.820 7.999 -0.179 1
1 1158 . 18 1 1 A 99 99 LEU HA H 99 3.890 4.148 -0.258 1
1 1168 . 18 1 1 A 99 99 LEU CA C 99 55.600 55.414 0.186 1
1 1169 . 18 1 1 A 99 99 LEU CB C 99 41.600 43.558 -1.958 1
1 1173 . 18 1 1 A 99 99 LEU N N 99 120.700 118.694 2.006 1
1 1174 . 18 1 1 A 100 100 GLU H H 100 7.680 7.675 0.005 1
1 1175 . 18 1 1 A 100 100 GLU HA H 100 3.900 4.689 -0.789 1
1 1180 . 18 1 1 A 100 100 GLU CA C 100 56.500 55.871 0.629 1
1 1181 . 18 1 1 A 100 100 GLU CB C 100 29.500 32.872 -3.372 1
1 13 . 19 1 1 A 2 2 THR H H 2 9.230 8.310 0.920 1
1 14 . 19 1 1 A 2 2 THR HA H 2 5.080 5.062 0.018 1
1 19 . 19 1 1 A 2 2 THR CA C 2 61.000 59.844 1.156 1
1 20 . 19 1 1 A 2 2 THR CB C 2 70.800 71.904 -1.104 1
1 22 . 19 1 1 A 2 2 THR N N 2 119.100 116.599 2.501 1
1 23 . 19 1 1 A 3 3 PHE H H 3 9.290 9.825 -0.535 1
1 24 . 19 1 1 A 3 3 PHE HA H 3 3.880 4.121 -0.241 1
1 32 . 19 1 1 A 3 3 PHE CA C 3 63.900 62.286 1.614 1
1 33 . 19 1 1 A 3 3 PHE CB C 3 38.800 39.311 -0.511 1
1 37 . 19 1 1 A 3 3 PHE N N 3 122.600 123.796 -1.196 1
1 38 . 19 1 1 A 4 4 SER H H 4 9.930 8.560 1.370 1
1 39 . 19 1 1 A 4 4 SER HA H 4 4.000 3.980 0.020 1
1 42 . 19 1 1 A 4 4 SER CA C 4 62.800 61.728 1.072 1
1 43 . 19 1 1 A 4 4 SER CB C 4 62.600 62.855 -0.255 1
1 44 . 19 1 1 A 4 4 SER N N 4 116.300 113.926 2.374 1
1 45 . 19 1 1 A 5 5 GLU H H 5 7.980 7.386 0.594 1
1 46 . 19 1 1 A 5 5 GLU HA H 5 3.990 4.001 -0.011 1
1 51 . 19 1 1 A 5 5 GLU CA C 5 58.800 58.870 -0.070 1
1 52 . 19 1 1 A 5 5 GLU CB C 5 29.700 29.652 0.048 1
1 54 . 19 1 1 A 5 5 GLU N N 5 122.800 121.023 1.777 1
1 55 . 19 1 1 A 6 6 CYS H H 6 8.430 7.922 0.508 1
1 56 . 19 1 1 A 6 6 CYS HA H 6 4.120 4.158 -0.038 1
1 59 . 19 1 1 A 6 6 CYS CA C 6 63.300 61.878 1.422 1
1 60 . 19 1 1 A 6 6 CYS CB C 6 27.100 26.934 0.166 1
1 61 . 19 1 1 A 6 6 CYS N N 6 120.100 119.485 0.615 1
1 62 . 19 1 1 A 7 7 ALA H H 7 8.770 8.208 0.562 1
1 63 . 19 1 1 A 7 7 ALA HA H 7 3.790 3.826 -0.036 1
1 67 . 19 1 1 A 7 7 ALA CA C 7 55.200 54.842 0.358 1
1 68 . 19 1 1 A 7 7 ALA CB C 7 17.400 17.862 -0.462 1
1 69 . 19 1 1 A 7 7 ALA N N 7 120.400 122.095 -1.695 1
1 70 . 19 1 1 A 8 8 ALA H H 8 7.800 7.969 -0.169 1
1 71 . 19 1 1 A 8 8 ALA HA H 8 4.130 4.055 0.075 1
1 75 . 19 1 1 A 8 8 ALA CA C 8 55.200 54.817 0.383 1
1 76 . 19 1 1 A 8 8 ALA CB C 8 17.700 17.940 -0.240 1
1 77 . 19 1 1 A 8 8 ALA N N 8 119.200 120.970 -1.770 1
1 78 . 19 1 1 A 9 9 LEU H H 9 8.120 8.283 -0.163 1
1 79 . 19 1 1 A 9 9 LEU HA H 9 4.080 3.925 0.155 1
1 89 . 19 1 1 A 9 9 LEU CA C 9 57.700 57.767 -0.067 1
1 90 . 19 1 1 A 9 9 LEU CB C 9 42.000 41.854 0.146 1
1 94 . 19 1 1 A 9 9 LEU N N 9 120.300 118.729 1.571 1
1 95 . 19 1 1 A 10 10 TYR H H 10 8.700 8.330 0.370 1
1 96 . 19 1 1 A 10 10 TYR HA H 10 2.330 2.816 -0.486 1
1 103 . 19 1 1 A 10 10 TYR CA C 10 62.000 60.849 1.151 1
1 104 . 19 1 1 A 10 10 TYR CB C 10 38.100 38.000 0.100 1
1 107 . 19 1 1 A 10 10 TYR N N 10 122.900 118.724 4.176 1
1 108 . 19 1 1 A 11 11 ILE H H 11 8.600 8.028 0.572 1
1 109 . 19 1 1 A 11 11 ILE HA H 11 3.270 3.133 0.137 1
1 119 . 19 1 1 A 11 11 ILE CA C 11 65.600 64.843 0.757 1
1 120 . 19 1 1 A 11 11 ILE CB C 11 38.200 37.610 0.590 1
1 124 . 19 1 1 A 11 11 ILE N N 11 123.900 120.873 3.027 1
1 125 . 19 1 1 A 12 12 LYS H H 12 7.910 8.272 -0.362 1
1 126 . 19 1 1 A 12 12 LYS HA H 12 3.870 4.016 -0.146 1
1 135 . 19 1 1 A 12 12 LYS CA C 12 59.900 59.240 0.660 1
1 136 . 19 1 1 A 12 12 LYS CB C 12 32.600 32.147 0.453 1
1 140 . 19 1 1 A 12 12 LYS N N 12 120.600 119.580 1.020 1
1 141 . 19 1 1 A 13 13 ALA H H 13 7.790 7.775 0.015 1
1 142 . 19 1 1 A 13 13 ALA HA H 13 4.100 4.006 0.094 1
1 146 . 19 1 1 A 13 13 ALA CA C 13 53.200 54.684 -1.484 1
1 147 . 19 1 1 A 13 13 ALA CB C 13 18.200 18.331 -0.131 1
1 148 . 19 1 1 A 13 13 ALA N N 13 118.100 120.849 -2.749 1
1 149 . 19 1 1 A 14 14 HIS H H 14 7.160 6.967 0.193 1
1 150 . 19 1 1 A 14 14 HIS HA H 14 3.990 3.897 0.093 1
1 155 . 19 1 1 A 14 14 HIS CA C 14 56.500 57.026 -0.526 1
1 156 . 19 1 1 A 14 14 HIS CB C 14 27.000 29.364 -2.364 1
1 159 . 19 1 1 A 14 14 HIS N N 14 113.200 117.820 -4.620 1
1 160 . 19 1 1 A 15 15 ARG H H 15 7.420 7.879 -0.459 1
1 161 . 19 1 1 A 15 15 ARG HA H 15 3.760 3.963 -0.203 1
1 168 . 19 1 1 A 15 15 ARG CA C 15 59.800 58.381 1.419 1
1 169 . 19 1 1 A 15 15 ARG CB C 15 29.800 29.399 0.401 1
1 172 . 19 1 1 A 15 15 ARG N N 15 121.100 118.391 2.709 1
1 173 . 19 1 1 A 16 16 SER H H 16 8.540 7.809 0.731 1
1 174 . 19 1 1 A 16 16 SER HA H 16 4.230 4.103 0.127 1
1 177 . 19 1 1 A 16 16 SER CA C 16 60.800 61.706 -0.906 1
1 178 . 19 1 1 A 16 16 SER CB C 16 62.200 62.819 -0.619 1
1 179 . 19 1 1 A 16 16 SER N N 16 114.100 116.138 -2.038 1
1 180 . 19 1 1 A 17 17 SER H H 17 7.680 7.604 0.076 1
1 181 . 19 1 1 A 17 17 SER HA H 17 4.370 4.518 -0.148 1
1 184 . 19 1 1 A 17 17 SER CA C 17 59.800 59.600 0.200 1
1 185 . 19 1 1 A 17 17 SER CB C 17 63.100 63.643 -0.543 1
1 186 . 19 1 1 A 17 17 SER N N 17 116.700 115.533 1.167 1
1 187 . 19 1 1 A 18 18 TRP H H 18 7.640 7.736 -0.096 1
1 188 . 19 1 1 A 18 18 TRP HA H 18 4.990 4.883 0.107 1
1 197 . 19 1 1 A 18 18 TRP CA C 18 55.200 57.077 -1.877 1
1 198 . 19 1 1 A 18 18 TRP CB C 18 29.500 29.621 -0.121 1
1 204 . 19 1 1 A 18 18 TRP N N 18 121.200 119.474 1.726 1
1 206 . 19 1 1 A 19 19 LYS H H 19 7.920 8.186 -0.266 1
1 207 . 19 1 1 A 19 19 LYS HA H 19 4.180 4.216 -0.036 1
1 216 . 19 1 1 A 19 19 LYS CA C 19 58.100 58.393 -0.293 1
1 217 . 19 1 1 A 19 19 LYS CB C 19 32.200 31.080 1.120 1
1 221 . 19 1 1 A 19 19 LYS N N 19 121.100 116.916 4.184 1
1 222 . 19 1 1 A 20 20 ASN H H 20 8.630 8.678 -0.048 1
1 223 . 19 1 1 A 20 20 ASN HA H 20 4.760 4.644 0.116 1
1 228 . 19 1 1 A 20 20 ASN CA C 20 53.600 53.480 0.120 1
1 229 . 19 1 1 A 20 20 ASN CB C 20 38.200 37.148 1.052 1
1 230 . 19 1 1 A 20 20 ASN N N 20 116.500 121.265 -4.765 1
1 232 . 19 1 1 A 21 21 THR H H 21 8.320 8.616 -0.296 1
1 233 . 19 1 1 A 21 21 THR HA H 21 4.470 4.888 -0.418 1
1 238 . 19 1 1 A 21 21 THR CA C 21 62.500 60.966 1.534 1
1 239 . 19 1 1 A 21 21 THR CB C 21 70.700 71.864 -1.164 1
1 241 . 19 1 1 A 21 21 THR N N 21 113.700 116.940 -3.240 1
1 242 . 19 1 1 A 22 22 LYS H H 22 8.440 8.901 -0.461 1
1 243 . 19 1 1 A 22 22 LYS HA H 22 4.500 4.123 0.377 1
1 252 . 19 1 1 A 22 22 LYS CA C 22 56.700 58.388 -1.688 1
1 253 . 19 1 1 A 22 22 LYS CB C 22 31.700 31.820 -0.120 1
1 257 . 19 1 1 A 22 22 LYS N N 22 120.900 122.410 -1.510 1
1 258 . 19 1 1 A 23 23 HIS H H 23 8.110 8.185 -0.075 1
1 259 . 19 1 1 A 23 23 HIS HA H 23 4.450 4.330 0.120 1
1 264 . 19 1 1 A 23 23 HIS CA C 23 57.300 58.884 -1.584 1
1 265 . 19 1 1 A 23 23 HIS CB C 23 27.900 28.727 -0.827 1
1 268 . 19 1 1 A 23 23 HIS N N 23 116.800 118.143 -1.343 1
1 269 . 19 1 1 A 24 24 ALA H H 24 8.490 7.538 0.952 1
1 270 . 19 1 1 A 24 24 ALA HA H 24 4.000 3.559 0.441 1
1 274 . 19 1 1 A 24 24 ALA CA C 24 55.700 55.002 0.698 1
1 275 . 19 1 1 A 24 24 ALA CB C 24 18.000 18.003 -0.003 1
1 276 . 19 1 1 A 24 24 ALA N N 24 121.700 123.258 -1.558 1
1 277 . 19 1 1 A 25 25 ASP H H 25 8.370 8.076 0.294 1
1 278 . 19 1 1 A 25 25 ASP HA H 25 4.450 4.363 0.087 1
1 281 . 19 1 1 A 25 25 ASP CA C 25 56.800 57.519 -0.719 1
1 282 . 19 1 1 A 25 25 ASP CB C 25 40.200 41.143 -0.943 1
1 283 . 19 1 1 A 25 25 ASP N N 25 119.100 118.501 0.599 1
1 284 . 19 1 1 A 26 26 GLN H H 26 8.020 7.944 0.076 1
1 285 . 19 1 1 A 26 26 GLN HA H 26 4.250 4.070 0.180 1
1 292 . 19 1 1 A 26 26 GLN CA C 26 58.600 59.306 -0.706 1
1 293 . 19 1 1 A 26 26 GLN CB C 26 28.500 28.247 0.253 1
1 295 . 19 1 1 A 26 26 GLN N N 26 119.500 117.341 2.159 1
1 297 . 19 1 1 A 27 27 TRP H H 27 8.610 8.269 0.341 1
1 298 . 19 1 1 A 27 27 TRP HA H 27 3.840 4.462 -0.622 1
1 307 . 19 1 1 A 27 27 TRP CA C 27 62.400 59.648 2.752 1
1 308 . 19 1 1 A 27 27 TRP CB C 27 28.300 29.597 -1.297 1
1 314 . 19 1 1 A 27 27 TRP N N 27 122.000 121.200 0.800 1
1 316 . 19 1 1 A 28 28 THR H H 28 8.460 7.907 0.553 1
1 317 . 19 1 1 A 28 28 THR HA H 28 3.790 4.072 -0.282 1
1 322 . 19 1 1 A 28 28 THR CA C 28 67.000 67.438 -0.438 1
1 323 . 19 1 1 A 28 28 THR CB C 28 68.900 68.301 0.599 1
1 325 . 19 1 1 A 28 28 THR N N 28 114.800 115.055 -0.255 1
1 326 . 19 1 1 A 29 29 ASN H H 29 8.650 9.011 -0.361 1
1 327 . 19 1 1 A 29 29 ASN HA H 29 4.530 4.394 0.136 1
1 332 . 19 1 1 A 29 29 ASN CA C 29 56.600 56.489 0.111 1
1 333 . 19 1 1 A 29 29 ASN CB C 29 38.400 38.963 -0.563 1
1 334 . 19 1 1 A 29 29 ASN N N 29 118.500 119.651 -1.151 1
1 336 . 19 1 1 A 30 30 THR H H 30 8.170 8.023 0.147 1
1 337 . 19 1 1 A 30 30 THR HA H 30 4.160 3.941 0.219 1
1 342 . 19 1 1 A 30 30 THR CA C 30 66.100 65.733 0.367 1
1 343 . 19 1 1 A 30 30 THR CB C 30 69.300 68.453 0.847 1
1 345 . 19 1 1 A 30 30 THR N N 30 113.100 113.635 -0.535 1
1 346 . 19 1 1 A 31 31 ILE H H 31 8.030 7.867 0.163 1
1 347 . 19 1 1 A 31 31 ILE HA H 31 3.850 3.709 0.141 1
1 357 . 19 1 1 A 31 31 ILE CA C 31 65.200 65.440 -0.240 1
1 358 . 19 1 1 A 31 31 ILE CB C 31 36.300 37.728 -1.428 1
1 362 . 19 1 1 A 31 31 ILE N N 31 122.000 124.112 -2.112 1
1 363 . 19 1 1 A 32 32 LYS H H 32 8.320 8.651 -0.331 1
1 364 . 19 1 1 A 32 32 LYS HA H 32 4.090 3.987 0.103 1
1 373 . 19 1 1 A 32 32 LYS CA C 32 60.500 59.554 0.946 1
1 374 . 19 1 1 A 32 32 LYS CB C 32 32.500 32.133 0.367 1
1 378 . 19 1 1 A 32 32 LYS N N 32 121.300 121.543 -0.243 1
1 379 . 19 1 1 A 33 33 THR H H 33 8.160 7.371 0.789 1
1 380 . 19 1 1 A 33 33 THR HA H 33 3.690 3.931 -0.241 1
1 385 . 19 1 1 A 33 33 THR CA C 33 66.500 66.256 0.244 1
1 386 . 19 1 1 A 33 33 THR CB C 33 69.200 68.929 0.271 1
1 388 . 19 1 1 A 33 33 THR N N 33 113.400 116.037 -2.637 1
1 389 . 19 1 1 A 34 34 TYR H H 34 7.640 8.094 -0.454 1
1 390 . 19 1 1 A 34 34 TYR HA H 34 4.670 4.364 0.306 1
1 397 . 19 1 1 A 34 34 TYR CA C 34 59.800 60.328 -0.528 1
1 398 . 19 1 1 A 34 34 TYR CB C 34 39.800 38.956 0.844 1
1 401 . 19 1 1 A 34 34 TYR N N 34 113.700 118.860 -5.160 1
1 402 . 19 1 1 A 35 35 CYS H H 35 8.170 8.304 -0.134 1
1 403 . 19 1 1 A 35 35 CYS HA H 35 4.470 4.452 0.018 1
1 406 . 19 1 1 A 35 35 CYS CA C 35 60.700 61.507 -0.807 1
1 407 . 19 1 1 A 35 35 CYS CB C 35 27.700 28.146 -0.446 1
1 408 . 19 1 1 A 35 35 CYS N N 35 113.100 118.425 -5.325 1
1 409 . 19 1 1 A 36 36 GLY H H 36 8.110 8.396 -0.286 1
1 410 . 19 1 1 A 36 36 GLY HA2 H 36 3.880 3.822 0.058 1
1 411 . 19 1 1 A 36 36 GLY HA3 H 36 4.480 3.864 0.616 1
1 412 . 19 1 1 A 36 36 GLY CA C 36 49.400 48.292 1.108 1
1 413 . 19 1 1 A 36 36 GLY N N 36 110.800 109.583 1.217 1
1 414 . 19 1 1 A 37 37 PRO HA H 37 4.470 4.384 0.086 1
1 421 . 19 1 1 A 37 37 PRO CA C 37 64.400 64.838 -0.438 1
1 422 . 19 1 1 A 37 37 PRO CB C 37 32.700 31.518 1.182 1
1 425 . 19 1 1 A 38 38 VAL H H 38 7.270 7.546 -0.276 1
1 426 . 19 1 1 A 38 38 VAL HA H 38 4.190 4.067 0.123 1
1 434 . 19 1 1 A 38 38 VAL CA C 38 63.600 63.293 0.307 1
1 435 . 19 1 1 A 38 38 VAL CB C 38 34.800 32.572 2.228 1
1 438 . 19 1 1 A 38 38 VAL N N 38 113.900 115.449 -1.549 1
1 439 . 19 1 1 A 39 39 ILE H H 39 7.590 7.995 -0.405 1
1 440 . 19 1 1 A 39 39 ILE HA H 39 4.590 4.403 0.187 1
1 450 . 19 1 1 A 39 39 ILE CA C 39 60.500 60.521 -0.021 1
1 451 . 19 1 1 A 39 39 ILE CB C 39 39.500 38.109 1.391 1
1 455 . 19 1 1 A 39 39 ILE N N 39 107.400 114.740 -7.340 1
1 456 . 19 1 1 A 40 40 GLY H H 40 7.670 7.983 -0.313 1
1 457 . 19 1 1 A 40 40 GLY HA2 H 40 4.040 3.915 0.125 1
1 458 . 19 1 1 A 40 40 GLY HA3 H 40 4.430 4.072 0.358 1
1 459 . 19 1 1 A 40 40 GLY CA C 40 49.400 48.275 1.125 1
1 460 . 19 1 1 A 40 40 GLY N N 40 109.200 112.438 -3.238 1
1 461 . 19 1 1 A 41 41 PRO HA H 41 4.770 4.504 0.266 1
1 468 . 19 1 1 A 41 41 PRO CA C 41 63.200 63.942 -0.742 1
1 469 . 19 1 1 A 41 41 PRO CB C 41 31.800 31.990 -0.190 1
1 472 . 19 1 1 A 42 42 LEU H H 42 7.540 7.572 -0.032 1
1 473 . 19 1 1 A 42 42 LEU HA H 42 4.320 4.465 -0.145 1
1 483 . 19 1 1 A 42 42 LEU CA C 42 54.000 54.473 -0.473 1
1 484 . 19 1 1 A 42 42 LEU CB C 42 42.000 42.216 -0.216 1
1 488 . 19 1 1 A 42 42 LEU N N 42 119.600 120.084 -0.484 1
1 489 . 19 1 1 A 43 43 SER H H 43 8.880 8.589 0.291 1
1 490 . 19 1 1 A 43 43 SER HA H 43 4.510 4.891 -0.381 1
1 493 . 19 1 1 A 43 43 SER CA C 43 58.600 58.748 -0.148 1
1 494 . 19 1 1 A 43 43 SER CB C 43 63.000 63.563 -0.563 1
1 495 . 19 1 1 A 43 43 SER N N 43 116.100 116.460 -0.360 1
1 496 . 19 1 1 A 44 44 VAL H H 44 9.020 8.381 0.639 1
1 497 . 19 1 1 A 44 44 VAL HA H 44 3.920 4.188 -0.268 1
1 505 . 19 1 1 A 44 44 VAL CA C 44 65.900 64.691 1.209 1
1 506 . 19 1 1 A 44 44 VAL CB C 44 32.100 31.938 0.162 1
1 509 . 19 1 1 A 44 44 VAL N N 44 124.400 126.399 -1.999 1
1 510 . 19 1 1 A 45 45 GLN H H 45 8.700 7.845 0.855 1
1 511 . 19 1 1 A 45 45 GLN HA H 45 4.170 4.331 -0.161 1
1 518 . 19 1 1 A 45 45 GLN CA C 45 57.400 56.420 0.980 1
1 519 . 19 1 1 A 45 45 GLN CB C 45 29.000 29.076 -0.076 1
1 521 . 19 1 1 A 45 45 GLN N N 45 120.500 118.258 2.242 1
1 523 . 19 1 1 A 46 46 ASP H H 46 7.870 7.970 -0.100 1
1 524 . 19 1 1 A 46 46 ASP HA H 46 4.720 4.754 -0.034 1
1 527 . 19 1 1 A 46 46 ASP CA C 46 54.400 54.304 0.096 1
1 528 . 19 1 1 A 46 46 ASP CB C 46 40.800 41.480 -0.680 1
1 529 . 19 1 1 A 46 46 ASP N N 46 117.200 118.778 -1.578 1
1 530 . 19 1 1 A 47 47 VAL H H 47 6.970 7.388 -0.418 1
1 531 . 19 1 1 A 47 47 VAL HA H 47 3.490 3.944 -0.454 1
1 539 . 19 1 1 A 47 47 VAL CA C 47 65.200 62.704 2.496 1
1 540 . 19 1 1 A 47 47 VAL CB C 47 31.100 31.297 -0.197 1
1 543 . 19 1 1 A 47 47 VAL N N 47 118.500 121.626 -3.126 1
1 544 . 19 1 1 A 48 48 ASP H H 48 7.220 8.712 -1.492 1
1 545 . 19 1 1 A 48 48 ASP HA H 48 4.910 4.799 0.111 1
1 548 . 19 1 1 A 48 48 ASP CA C 48 51.600 53.465 -1.865 1
1 549 . 19 1 1 A 48 48 ASP CB C 48 42.700 41.892 0.808 1
1 550 . 19 1 1 A 48 48 ASP N N 48 128.000 127.854 0.146 1
1 551 . 19 1 1 A 49 49 THR H H 49 8.490 8.725 -0.235 1
1 552 . 19 1 1 A 49 49 THR HA H 49 3.770 3.716 0.054 1
1 557 . 19 1 1 A 49 49 THR CA C 49 67.300 66.624 0.676 1
1 558 . 19 1 1 A 49 49 THR CB C 49 68.900 68.748 0.152 1
1 560 . 19 1 1 A 49 49 THR N N 49 115.800 117.013 -1.213 1
1 561 . 19 1 1 A 50 50 LYS H H 50 7.860 8.039 -0.179 1
1 562 . 19 1 1 A 50 50 LYS HA H 50 3.860 4.265 -0.405 1
1 571 . 19 1 1 A 50 50 LYS CA C 50 60.000 59.183 0.817 1
1 572 . 19 1 1 A 50 50 LYS CB C 50 31.600 31.939 -0.339 1
1 576 . 19 1 1 A 50 50 LYS N N 50 120.500 121.160 -0.660 1
1 577 . 19 1 1 A 51 51 LEU H H 51 8.190 8.061 0.129 1
1 578 . 19 1 1 A 51 51 LEU HA H 51 4.050 4.049 0.001 1
1 588 . 19 1 1 A 51 51 LEU CA C 51 57.600 58.120 -0.520 1
1 589 . 19 1 1 A 51 51 LEU CB C 51 42.400 41.564 0.836 1
1 593 . 19 1 1 A 51 51 LEU N N 51 120.600 119.423 1.177 1
1 594 . 19 1 1 A 52 52 ILE H H 52 7.850 7.837 0.013 1
1 595 . 19 1 1 A 52 52 ILE HA H 52 3.440 3.641 -0.201 1
1 605 . 19 1 1 A 52 52 ILE CA C 52 65.200 64.675 0.525 1
1 606 . 19 1 1 A 52 52 ILE CB C 52 36.700 37.026 -0.326 1
1 610 . 19 1 1 A 52 52 ILE N N 52 118.600 120.425 -1.825 1
1 611 . 19 1 1 A 53 53 MET H H 53 8.540 8.078 0.462 1
1 612 . 19 1 1 A 53 53 MET HA H 53 4.040 4.079 -0.039 1
1 620 . 19 1 1 A 53 53 MET CA C 53 59.000 59.434 -0.434 1
1 621 . 19 1 1 A 53 53 MET CB C 53 31.300 32.796 -1.496 1
1 624 . 19 1 1 A 53 53 MET N N 53 118.600 119.269 -0.669 1
1 625 . 19 1 1 A 54 54 LYS H H 54 7.620 7.742 -0.122 1
1 626 . 19 1 1 A 54 54 LYS HA H 54 4.140 4.157 -0.017 1
1 635 . 19 1 1 A 54 54 LYS CA C 54 59.200 59.047 0.153 1
1 636 . 19 1 1 A 54 54 LYS CB C 54 32.300 32.620 -0.320 1
1 640 . 19 1 1 A 54 54 LYS N N 54 119.100 118.876 0.224 1
1 641 . 19 1 1 A 55 55 VAL H H 55 7.560 7.318 0.242 1
1 642 . 19 1 1 A 55 55 VAL HA H 55 3.670 3.597 0.073 1
1 650 . 19 1 1 A 55 55 VAL CA C 55 65.600 65.968 -0.368 1
1 651 . 19 1 1 A 55 55 VAL CB C 55 31.900 31.736 0.164 1
1 654 . 19 1 1 A 55 55 VAL N N 55 117.200 119.293 -2.093 1
1 655 . 19 1 1 A 56 56 LEU H H 56 7.790 8.209 -0.419 1
1 656 . 19 1 1 A 56 56 LEU HA H 56 3.900 3.778 0.122 1
1 666 . 19 1 1 A 56 56 LEU CA C 56 56.400 58.087 -1.687 1
1 667 . 19 1 1 A 56 56 LEU CB C 56 42.700 40.761 1.939 1
1 671 . 19 1 1 A 56 56 LEU N N 56 114.400 118.549 -4.149 1
1 672 . 19 1 1 A 57 57 ASP H H 57 8.850 8.470 0.380 1
1 673 . 19 1 1 A 57 57 ASP HA H 57 4.140 4.801 -0.661 1
1 676 . 19 1 1 A 57 57 ASP CA C 57 59.100 59.407 -0.307 1
1 677 . 19 1 1 A 57 57 ASP CB C 57 38.200 38.225 -0.025 1
1 678 . 19 1 1 A 57 57 ASP N N 57 120.500 120.412 0.088 1
1 679 . 19 1 1 A 58 58 PRO HA H 58 4.520 4.435 0.085 1
1 686 . 19 1 1 A 58 58 PRO CA C 58 65.300 65.074 0.226 1
1 687 . 19 1 1 A 58 58 PRO CB C 58 31.700 31.300 0.400 1
1 690 . 19 1 1 A 59 59 ILE H H 59 7.400 7.181 0.219 1
1 691 . 19 1 1 A 59 59 ILE HA H 59 4.060 3.772 0.288 1
1 701 . 19 1 1 A 59 59 ILE CA C 59 62.300 63.554 -1.254 1
1 702 . 19 1 1 A 59 59 ILE CB C 59 39.300 36.267 3.033 1
1 706 . 19 1 1 A 59 59 ILE N N 59 113.300 116.377 -3.077 1
1 707 . 19 1 1 A 60 60 TRP H H 60 8.000 7.594 0.406 1
1 708 . 19 1 1 A 60 60 TRP HA H 60 3.830 4.413 -0.583 1
1 717 . 19 1 1 A 60 60 TRP CA C 60 61.300 60.123 1.177 1
1 718 . 19 1 1 A 60 60 TRP CB C 60 29.700 29.329 0.371 1
1 724 . 19 1 1 A 60 60 TRP N N 60 120.900 121.919 -1.019 1
1 726 . 19 1 1 A 61 61 GLU H H 61 7.840 8.193 -0.353 1
1 727 . 19 1 1 A 61 61 GLU HA H 61 4.110 4.239 -0.129 1
1 732 . 19 1 1 A 61 61 GLU CA C 61 58.100 58.719 -0.619 1
1 733 . 19 1 1 A 61 61 GLU CB C 61 29.500 29.548 -0.048 1
1 735 . 19 1 1 A 61 61 GLU N N 61 112.300 120.202 -7.902 1
1 736 . 19 1 1 A 62 62 GLN H H 62 7.710 7.527 0.183 1
1 737 . 19 1 1 A 62 62 GLN HA H 62 4.400 4.366 0.034 1
1 744 . 19 1 1 A 62 62 GLN CA C 62 57.200 57.389 -0.189 1
1 745 . 19 1 1 A 62 62 GLN CB C 62 30.800 30.047 0.753 1
1 747 . 19 1 1 A 62 62 GLN N N 62 115.200 117.487 -2.287 1
1 749 . 19 1 1 A 63 63 LYS H H 63 8.500 8.334 0.166 1
1 750 . 19 1 1 A 63 63 LYS HA H 63 4.860 4.950 -0.090 1
1 759 . 19 1 1 A 63 63 LYS CA C 63 53.300 53.675 -0.375 1
1 760 . 19 1 1 A 63 63 LYS CB C 63 33.800 32.794 1.006 1
1 764 . 19 1 1 A 63 63 LYS N N 63 117.800 119.064 -1.264 1
1 765 . 19 1 1 A 64 64 PRO HA H 64 4.110 4.320 -0.210 1
1 772 . 19 1 1 A 64 64 PRO CA C 64 66.000 65.341 0.659 1
1 773 . 19 1 1 A 64 64 PRO CB C 64 31.500 31.941 -0.441 1
1 776 . 19 1 1 A 65 65 GLU H H 65 8.680 8.800 -0.120 1
1 777 . 19 1 1 A 65 65 GLU HA H 65 4.120 3.996 0.124 1
1 782 . 19 1 1 A 65 65 GLU CA C 65 59.300 59.790 -0.490 1
1 783 . 19 1 1 A 65 65 GLU CB C 65 28.500 29.214 -0.714 1
1 785 . 19 1 1 A 65 65 GLU N N 65 117.800 117.770 0.030 1
1 786 . 19 1 1 A 66 66 THR H H 66 7.370 7.923 -0.553 1
1 787 . 19 1 1 A 66 66 THR HA H 66 3.820 3.764 0.056 1
1 792 . 19 1 1 A 66 66 THR CA C 66 66.200 66.426 -0.226 1
1 793 . 19 1 1 A 66 66 THR CB C 66 68.200 68.515 -0.315 1
1 795 . 19 1 1 A 66 66 THR N N 66 117.800 115.970 1.830 1
1 796 . 19 1 1 A 67 67 ALA H H 67 7.890 8.273 -0.383 1
1 797 . 19 1 1 A 67 67 ALA HA H 67 3.380 3.588 -0.208 1
1 801 . 19 1 1 A 67 67 ALA CA C 67 55.200 54.944 0.256 1
1 802 . 19 1 1 A 67 67 ALA CB C 67 17.400 17.178 0.222 1
1 803 . 19 1 1 A 67 67 ALA N N 67 123.900 123.821 0.079 1
1 804 . 19 1 1 A 68 68 SER H H 68 7.920 7.831 0.089 1
1 805 . 19 1 1 A 68 68 SER HA H 68 4.070 4.173 -0.103 1
1 808 . 19 1 1 A 68 68 SER CA C 68 61.200 61.431 -0.231 1
1 809 . 19 1 1 A 68 68 SER CB C 68 62.700 62.499 0.201 1
1 810 . 19 1 1 A 68 68 SER N N 68 111.500 112.791 -1.291 1
1 811 . 19 1 1 A 69 69 ARG H H 69 7.840 7.346 0.494 1
1 812 . 19 1 1 A 69 69 ARG HA H 69 4.010 4.038 -0.028 1
1 819 . 19 1 1 A 69 69 ARG CA C 69 58.700 58.735 -0.035 1
1 820 . 19 1 1 A 69 69 ARG CB C 69 30.000 29.536 0.464 1
1 823 . 19 1 1 A 69 69 ARG N N 69 121.200 122.378 -1.178 1
1 824 . 19 1 1 A 70 70 LEU H H 70 8.490 8.334 0.156 1
1 825 . 19 1 1 A 70 70 LEU HA H 70 3.740 3.931 -0.191 1
1 835 . 19 1 1 A 70 70 LEU CA C 70 57.500 57.563 -0.063 1
1 836 . 19 1 1 A 70 70 LEU CB C 70 41.100 41.609 -0.509 1
1 840 . 19 1 1 A 70 70 LEU N N 70 121.100 121.362 -0.262 1
1 841 . 19 1 1 A 71 71 ARG H H 71 8.460 7.915 0.545 1
1 842 . 19 1 1 A 71 71 ARG HA H 71 3.540 3.928 -0.388 1
1 850 . 19 1 1 A 71 71 ARG CA C 71 60.700 59.789 0.911 1
1 851 . 19 1 1 A 71 71 ARG CB C 71 28.000 29.904 -1.904 1
1 854 . 19 1 1 A 71 71 ARG N N 71 119.800 119.159 0.641 1
1 856 . 19 1 1 A 72 72 GLY H H 72 7.530 7.888 -0.358 1
1 857 . 19 1 1 A 72 72 GLY HA2 H 72 3.980 3.821 0.159 1
1 858 . 19 1 1 A 72 72 GLY HA3 H 72 3.870 3.840 0.030 1
1 859 . 19 1 1 A 72 72 GLY CA C 72 47.100 47.058 0.042 1
1 860 . 19 1 1 A 72 72 GLY N N 72 103.400 107.170 -3.770 1
1 861 . 19 1 1 A 73 73 ARG H H 73 7.800 7.985 -0.185 1
1 862 . 19 1 1 A 73 73 ARG HA H 73 3.930 4.070 -0.140 1
1 869 . 19 1 1 A 73 73 ARG CA C 73 59.400 58.666 0.734 1
1 870 . 19 1 1 A 73 73 ARG CB C 73 29.500 29.290 0.210 1
1 873 . 19 1 1 A 73 73 ARG N N 73 122.800 120.836 1.964 1
1 874 . 19 1 1 A 74 74 ILE H H 74 8.420 8.227 0.193 1
1 875 . 19 1 1 A 74 74 ILE HA H 74 3.440 3.811 -0.371 1
1 885 . 19 1 1 A 74 74 ILE CA C 74 66.500 65.606 0.894 1
1 886 . 19 1 1 A 74 74 ILE CB C 74 38.300 37.556 0.744 1
1 890 . 19 1 1 A 74 74 ILE N N 74 118.800 121.180 -2.380 1
1 891 . 19 1 1 A 75 75 GLU H H 75 8.620 8.560 0.060 1
1 892 . 19 1 1 A 75 75 GLU HA H 75 3.840 3.960 -0.120 1
1 897 . 19 1 1 A 75 75 GLU CA C 75 59.900 59.827 0.073 1
1 898 . 19 1 1 A 75 75 GLU CB C 75 29.400 29.596 -0.196 1
1 900 . 19 1 1 A 75 75 GLU N N 75 119.200 121.555 -2.355 1
1 901 . 19 1 1 A 76 76 SER H H 76 8.380 7.952 0.428 1
1 902 . 19 1 1 A 76 76 SER HA H 76 4.460 4.212 0.248 1
1 905 . 19 1 1 A 76 76 SER CA C 76 62.900 62.768 0.132 1
1 906 . 19 1 1 A 76 76 SER CB C 76 63.000 63.144 -0.144 1
1 907 . 19 1 1 A 76 76 SER N N 76 116.000 116.922 -0.922 1
1 908 . 19 1 1 A 77 77 VAL H H 77 8.190 7.653 0.537 1
1 909 . 19 1 1 A 77 77 VAL HA H 77 3.290 3.186 0.104 1
1 917 . 19 1 1 A 77 77 VAL CA C 77 66.800 66.769 0.031 1
1 918 . 19 1 1 A 77 77 VAL CB C 77 31.400 31.556 -0.156 1
1 921 . 19 1 1 A 77 77 VAL N N 77 122.800 121.784 1.016 1
1 922 . 19 1 1 A 78 78 LEU H H 78 8.590 8.569 0.021 1
1 923 . 19 1 1 A 78 78 LEU HA H 78 4.270 3.938 0.332 1
1 933 . 19 1 1 A 78 78 LEU CA C 78 57.800 57.766 0.034 1
1 934 . 19 1 1 A 78 78 LEU CB C 78 40.900 40.900 0.000 1
1 938 . 19 1 1 A 78 78 LEU N N 78 116.900 118.675 -1.775 1
1 939 . 19 1 1 A 79 79 ASP H H 79 8.790 8.555 0.235 1
1 940 . 19 1 1 A 79 79 ASP HA H 79 4.730 4.349 0.381 1
1 943 . 19 1 1 A 79 79 ASP CA C 79 57.900 57.418 0.482 1
1 944 . 19 1 1 A 79 79 ASP CB C 79 40.400 41.284 -0.884 1
1 945 . 19 1 1 A 79 79 ASP N N 79 123.800 118.855 4.945 1
1 946 . 19 1 1 A 80 80 TRP H H 80 8.210 8.198 0.012 1
1 947 . 19 1 1 A 80 80 TRP HA H 80 4.380 4.343 0.037 1
1 956 . 19 1 1 A 80 80 TRP CA C 80 61.600 61.492 0.108 1
1 957 . 19 1 1 A 80 80 TRP CB C 80 29.100 29.490 -0.390 1
1 963 . 19 1 1 A 80 80 TRP N N 80 123.700 121.920 1.780 1
1 965 . 19 1 1 A 81 81 ALA H H 81 8.980 8.514 0.466 1
1 966 . 19 1 1 A 81 81 ALA HA H 81 3.850 3.903 -0.053 1
1 970 . 19 1 1 A 81 81 ALA CA C 81 54.500 55.178 -0.678 1
1 971 . 19 1 1 A 81 81 ALA CB C 81 19.600 18.243 1.357 1
1 972 . 19 1 1 A 81 81 ALA N N 81 118.400 121.177 -2.777 1
1 973 . 19 1 1 A 82 82 THR H H 82 7.990 7.899 0.091 1
1 974 . 19 1 1 A 82 82 THR HA H 82 4.310 3.951 0.359 1
1 979 . 19 1 1 A 82 82 THR CA C 82 65.800 66.970 -1.170 1
1 980 . 19 1 1 A 82 82 THR CB C 82 68.800 68.329 0.471 1
1 982 . 19 1 1 A 82 82 THR N N 82 116.400 114.686 1.714 1
1 983 . 19 1 1 A 83 83 VAL H H 83 7.970 8.109 -0.139 1
1 984 . 19 1 1 A 83 83 VAL HA H 83 3.720 3.451 0.269 1
1 992 . 19 1 1 A 83 83 VAL CA C 83 65.900 66.945 -1.045 1
1 993 . 19 1 1 A 83 83 VAL CB C 83 31.400 31.245 0.155 1
1 996 . 19 1 1 A 83 83 VAL N N 83 123.700 121.314 2.386 1
1 997 . 19 1 1 A 84 84 ARG H H 84 7.300 7.611 -0.311 1
1 998 . 19 1 1 A 84 84 ARG HA H 84 3.740 3.923 -0.183 1
1 1005 . 19 1 1 A 84 84 ARG CA C 84 55.300 56.088 -0.788 1
1 1006 . 19 1 1 A 84 84 ARG CB C 84 29.400 30.098 -0.698 1
1 1009 . 19 1 1 A 84 84 ARG N N 84 115.400 117.961 -2.561 1
1 1010 . 19 1 1 A 85 85 GLY H H 85 7.510 7.737 -0.227 1
1 1011 . 19 1 1 A 85 85 GLY HA2 H 85 4.010 3.769 0.241 1
1 1012 . 19 1 1 A 85 85 GLY HA3 H 85 3.830 3.866 -0.036 1
1 1013 . 19 1 1 A 85 85 GLY CA C 85 45.400 45.555 -0.155 1
1 1014 . 19 1 1 A 85 85 GLY N N 85 105.600 107.258 -1.658 1
1 1015 . 19 1 1 A 86 86 TYR H H 86 8.120 8.497 -0.377 1
1 1016 . 19 1 1 A 86 86 TYR HA H 86 4.740 4.611 0.129 1
1 1023 . 19 1 1 A 86 86 TYR CA C 86 55.800 58.508 -2.708 1
1 1024 . 19 1 1 A 86 86 TYR CB C 86 38.000 39.189 -1.189 1
1 1027 . 19 1 1 A 86 86 TYR N N 86 118.700 118.569 0.131 1
1 1028 . 19 1 1 A 87 87 ARG H H 87 7.500 7.700 -0.200 1
1 1029 . 19 1 1 A 87 87 ARG HA H 87 4.710 4.578 0.132 1
1 1037 . 19 1 1 A 87 87 ARG CA C 87 54.100 54.640 -0.540 1
1 1038 . 19 1 1 A 87 87 ARG CB C 87 31.900 32.667 -0.767 1
1 1041 . 19 1 1 A 87 87 ARG N N 87 111.200 116.864 -5.664 1
1 1043 . 19 1 1 A 88 88 GLU H H 88 9.190 8.586 0.604 1
1 1044 . 19 1 1 A 88 88 GLU HA H 88 4.760 4.514 0.246 1
1 1049 . 19 1 1 A 88 88 GLU CA C 88 54.800 55.540 -0.740 1
1 1050 . 19 1 1 A 88 88 GLU CB C 88 32.500 30.932 1.568 1
1 1052 . 19 1 1 A 88 88 GLU N N 88 118.800 119.685 -0.885 1
1 1053 . 19 1 1 A 89 89 GLY H H 89 8.580 8.457 0.123 1
1 1054 . 19 1 1 A 89 89 GLY HA2 H 89 3.850 3.870 -0.020 1
1 1055 . 19 1 1 A 89 89 GLY HA3 H 89 4.500 3.872 0.628 1
1 1056 . 19 1 1 A 89 89 GLY CA C 89 43.700 45.511 -1.811 1
1 1057 . 19 1 1 A 89 89 GLY N N 89 107.900 110.450 -2.550 1
1 1058 . 19 1 1 A 90 90 ASP H H 90 8.630 7.899 0.731 1
1 1059 . 19 1 1 A 90 90 ASP HA H 90 4.480 5.007 -0.527 1
1 1062 . 19 1 1 A 90 90 ASP CA C 90 54.600 52.862 1.738 1
1 1063 . 19 1 1 A 90 90 ASP CB C 90 40.500 44.452 -3.952 1
1 1064 . 19 1 1 A 90 90 ASP N N 90 120.700 121.212 -0.512 1
1 1065 . 19 1 1 A 91 91 ASN H H 91 8.930 8.669 0.261 1
1 1066 . 19 1 1 A 91 91 ASN HA H 91 4.580 5.342 -0.762 1
1 1071 . 19 1 1 A 91 91 ASN CA C 91 51.100 49.709 1.391 1
1 1072 . 19 1 1 A 91 91 ASN CB C 91 39.100 39.811 -0.711 1
1 1073 . 19 1 1 A 91 91 ASN N N 91 122.700 123.350 -0.650 1
1 1075 . 19 1 1 A 92 92 PRO HA H 92 4.490 4.175 0.315 1
1 1082 . 19 1 1 A 92 92 PRO CA C 92 63.500 63.911 -0.411 1
1 1083 . 19 1 1 A 92 92 PRO CB C 92 32.300 31.767 0.533 1
1 1086 . 19 1 1 A 93 93 ALA H H 93 8.610 7.746 0.864 1
1 1087 . 19 1 1 A 93 93 ALA HA H 93 4.450 3.844 0.606 1
1 1091 . 19 1 1 A 93 93 ALA CA C 93 52.000 52.897 -0.897 1
1 1092 . 19 1 1 A 93 93 ALA CB C 93 18.100 19.184 -1.084 1
1 1093 . 19 1 1 A 93 93 ALA N N 93 120.500 118.141 2.359 1
1 1094 . 19 1 1 A 94 94 ARG H H 94 7.280 7.804 -0.524 1
1 1095 . 19 1 1 A 94 94 ARG HA H 94 3.830 4.750 -0.920 1
1 1102 . 19 1 1 A 94 94 ARG CA C 94 55.500 55.270 0.230 1
1 1103 . 19 1 1 A 94 94 ARG CB C 94 30.500 31.861 -1.361 1
1 1106 . 19 1 1 A 94 94 ARG N N 94 118.100 117.345 0.755 1
1 1107 . 19 1 1 A 95 95 TRP H H 95 7.310 9.033 -1.723 1
1 1108 . 19 1 1 A 95 95 TRP HA H 95 4.610 5.169 -0.559 1
1 1117 . 19 1 1 A 95 95 TRP CA C 95 55.200 55.800 -0.600 1
1 1118 . 19 1 1 A 95 95 TRP CB C 95 29.500 32.507 -3.007 1
1 1124 . 19 1 1 A 95 95 TRP N N 95 121.200 123.770 -2.570 1
1 1126 . 19 1 1 A 96 96 ARG H H 96 8.380 9.219 -0.839 1
1 1127 . 19 1 1 A 96 96 ARG HA H 96 4.140 4.793 -0.653 1
1 1134 . 19 1 1 A 96 96 ARG CA C 96 57.200 56.365 0.835 1
1 1135 . 19 1 1 A 96 96 ARG CB C 96 29.900 31.812 -1.912 1
1 1138 . 19 1 1 A 96 96 ARG N N 96 122.100 123.895 -1.795 1
1 1139 . 19 1 1 A 97 97 GLY H H 97 7.920 8.172 -0.252 1
1 1140 . 19 1 1 A 97 97 GLY HA2 H 97 3.710 4.164 -0.454 1
1 1141 . 19 1 1 A 97 97 GLY HA3 H 97 3.630 4.206 -0.576 1
1 1142 . 19 1 1 A 97 97 GLY CA C 97 45.700 45.941 -0.241 1
1 1143 . 19 1 1 A 97 97 GLY N N 97 110.500 107.402 3.098 1
1 1144 . 19 1 1 A 98 98 TYR H H 98 7.770 8.112 -0.342 1
1 1145 . 19 1 1 A 98 98 TYR HA H 98 4.090 4.751 -0.661 1
1 1152 . 19 1 1 A 98 98 TYR CA C 98 59.900 56.499 3.401 1
1 1153 . 19 1 1 A 98 98 TYR CB C 98 37.100 40.439 -3.339 1
1 1156 . 19 1 1 A 98 98 TYR N N 98 120.400 122.079 -1.679 1
1 1157 . 19 1 1 A 99 99 LEU H H 99 7.820 8.095 -0.275 1
1 1158 . 19 1 1 A 99 99 LEU HA H 99 3.890 3.498 0.392 1
1 1168 . 19 1 1 A 99 99 LEU CA C 99 55.600 55.499 0.101 1
1 1169 . 19 1 1 A 99 99 LEU CB C 99 41.600 40.116 1.484 1
1 1173 . 19 1 1 A 99 99 LEU N N 99 120.700 125.953 -5.253 1
1 1174 . 19 1 1 A 100 100 GLU H H 100 7.680 8.110 -0.430 1
1 1175 . 19 1 1 A 100 100 GLU HA H 100 3.900 4.390 -0.490 1
1 1180 . 19 1 1 A 100 100 GLU CA C 100 56.500 56.302 0.198 1
1 1181 . 19 1 1 A 100 100 GLU CB C 100 29.500 29.062 0.438 1
1 13 . 20 1 1 A 2 2 THR H H 2 9.230 8.943 0.287 1
1 14 . 20 1 1 A 2 2 THR HA H 2 5.080 4.968 0.112 1
1 19 . 20 1 1 A 2 2 THR CA C 2 61.000 60.325 0.675 1
1 20 . 20 1 1 A 2 2 THR CB C 2 70.800 71.534 -0.734 1
1 22 . 20 1 1 A 2 2 THR N N 2 119.100 116.869 2.231 1
1 23 . 20 1 1 A 3 3 PHE H H 3 9.290 9.752 -0.462 1
1 24 . 20 1 1 A 3 3 PHE HA H 3 3.880 4.126 -0.246 1
1 32 . 20 1 1 A 3 3 PHE CA C 3 63.900 62.268 1.632 1
1 33 . 20 1 1 A 3 3 PHE CB C 3 38.800 39.306 -0.506 1
1 37 . 20 1 1 A 3 3 PHE N N 3 122.600 123.854 -1.254 1
1 38 . 20 1 1 A 4 4 SER H H 4 9.930 8.400 1.530 1
1 39 . 20 1 1 A 4 4 SER HA H 4 4.000 4.123 -0.123 1
1 42 . 20 1 1 A 4 4 SER CA C 4 62.800 62.119 0.681 1
1 43 . 20 1 1 A 4 4 SER CB C 4 62.600 62.766 -0.166 1
1 44 . 20 1 1 A 4 4 SER N N 4 116.300 116.581 -0.281 1
1 45 . 20 1 1 A 5 5 GLU H H 5 7.980 7.381 0.599 1
1 46 . 20 1 1 A 5 5 GLU HA H 5 3.990 4.009 -0.019 1
1 51 . 20 1 1 A 5 5 GLU CA C 5 58.800 58.918 -0.118 1
1 52 . 20 1 1 A 5 5 GLU CB C 5 29.700 29.703 -0.003 1
1 54 . 20 1 1 A 5 5 GLU N N 5 122.800 121.384 1.416 1
1 55 . 20 1 1 A 6 6 CYS H H 6 8.430 7.919 0.511 1
1 56 . 20 1 1 A 6 6 CYS HA H 6 4.120 4.254 -0.134 1
1 59 . 20 1 1 A 6 6 CYS CA C 6 63.300 61.904 1.396 1
1 60 . 20 1 1 A 6 6 CYS CB C 6 27.100 26.968 0.132 1
1 61 . 20 1 1 A 6 6 CYS N N 6 120.100 119.476 0.624 1
1 62 . 20 1 1 A 7 7 ALA H H 7 8.770 8.189 0.581 1
1 63 . 20 1 1 A 7 7 ALA HA H 7 3.790 3.881 -0.091 1
1 67 . 20 1 1 A 7 7 ALA CA C 7 55.200 54.903 0.297 1
1 68 . 20 1 1 A 7 7 ALA CB C 7 17.400 17.913 -0.513 1
1 69 . 20 1 1 A 7 7 ALA N N 7 120.400 122.161 -1.761 1
1 70 . 20 1 1 A 8 8 ALA H H 8 7.800 8.273 -0.473 1
1 71 . 20 1 1 A 8 8 ALA HA H 8 4.130 4.123 0.007 1
1 75 . 20 1 1 A 8 8 ALA CA C 8 55.200 55.009 0.191 1
1 76 . 20 1 1 A 8 8 ALA CB C 8 17.700 17.847 -0.147 1
1 77 . 20 1 1 A 8 8 ALA N N 8 119.200 120.879 -1.679 1
1 78 . 20 1 1 A 9 9 LEU H H 9 8.120 8.440 -0.320 1
1 79 . 20 1 1 A 9 9 LEU HA H 9 4.080 3.927 0.153 1
1 89 . 20 1 1 A 9 9 LEU CA C 9 57.700 57.797 -0.097 1
1 90 . 20 1 1 A 9 9 LEU CB C 9 42.000 42.003 -0.003 1
1 94 . 20 1 1 A 9 9 LEU N N 9 120.300 118.897 1.403 1
1 95 . 20 1 1 A 10 10 TYR H H 10 8.700 8.231 0.469 1
1 96 . 20 1 1 A 10 10 TYR HA H 10 2.330 2.961 -0.631 1
1 103 . 20 1 1 A 10 10 TYR CA C 10 62.000 61.014 0.986 1
1 104 . 20 1 1 A 10 10 TYR CB C 10 38.100 38.158 -0.058 1
1 107 . 20 1 1 A 10 10 TYR N N 10 122.900 118.538 4.362 1
1 108 . 20 1 1 A 11 11 ILE H H 11 8.600 8.072 0.528 1
1 109 . 20 1 1 A 11 11 ILE HA H 11 3.270 2.986 0.284 1
1 119 . 20 1 1 A 11 11 ILE CA C 11 65.600 64.508 1.092 1
1 120 . 20 1 1 A 11 11 ILE CB C 11 38.200 37.648 0.552 1
1 124 . 20 1 1 A 11 11 ILE N N 11 123.900 120.722 3.178 1
1 125 . 20 1 1 A 12 12 LYS H H 12 7.910 8.495 -0.585 1
1 126 . 20 1 1 A 12 12 LYS HA H 12 3.870 3.795 0.075 1
1 135 . 20 1 1 A 12 12 LYS CA C 12 59.900 58.368 1.532 1
1 136 . 20 1 1 A 12 12 LYS CB C 12 32.600 32.116 0.484 1
1 140 . 20 1 1 A 12 12 LYS N N 12 120.600 121.023 -0.423 1
1 141 . 20 1 1 A 13 13 ALA H H 13 7.790 7.736 0.054 1
1 142 . 20 1 1 A 13 13 ALA HA H 13 4.100 3.987 0.113 1
1 146 . 20 1 1 A 13 13 ALA CA C 13 53.200 53.122 0.078 1
1 147 . 20 1 1 A 13 13 ALA CB C 13 18.200 18.345 -0.145 1
1 148 . 20 1 1 A 13 13 ALA N N 13 118.100 120.102 -2.002 1
1 149 . 20 1 1 A 14 14 HIS H H 14 7.160 7.165 -0.005 1
1 150 . 20 1 1 A 14 14 HIS HA H 14 3.990 4.352 -0.362 1
1 155 . 20 1 1 A 14 14 HIS CA C 14 56.500 54.908 1.592 1
1 156 . 20 1 1 A 14 14 HIS CB C 14 27.000 29.817 -2.817 1
1 159 . 20 1 1 A 14 14 HIS N N 14 113.200 115.595 -2.395 1
1 160 . 20 1 1 A 15 15 ARG H H 15 7.420 7.781 -0.361 1
1 161 . 20 1 1 A 15 15 ARG HA H 15 3.760 3.701 0.059 1
1 168 . 20 1 1 A 15 15 ARG CA C 15 59.800 58.480 1.320 1
1 169 . 20 1 1 A 15 15 ARG CB C 15 29.800 29.784 0.016 1
1 172 . 20 1 1 A 15 15 ARG N N 15 121.100 119.775 1.325 1
1 173 . 20 1 1 A 16 16 SER H H 16 8.540 8.025 0.515 1
1 174 . 20 1 1 A 16 16 SER HA H 16 4.230 4.160 0.070 1
1 177 . 20 1 1 A 16 16 SER CA C 16 60.800 61.286 -0.486 1
1 178 . 20 1 1 A 16 16 SER CB C 16 62.200 63.140 -0.940 1
1 179 . 20 1 1 A 16 16 SER N N 16 114.100 117.526 -3.426 1
1 180 . 20 1 1 A 17 17 SER H H 17 7.680 7.898 -0.218 1
1 181 . 20 1 1 A 17 17 SER HA H 17 4.370 4.217 0.153 1
1 184 . 20 1 1 A 17 17 SER CA C 17 59.800 61.645 -1.845 1
1 185 . 20 1 1 A 17 17 SER CB C 17 63.100 63.117 -0.017 1
1 186 . 20 1 1 A 17 17 SER N N 17 116.700 118.500 -1.800 1
1 187 . 20 1 1 A 18 18 TRP H H 18 7.640 7.934 -0.294 1
1 188 . 20 1 1 A 18 18 TRP HA H 18 4.990 4.477 0.513 1
1 197 . 20 1 1 A 18 18 TRP CA C 18 55.200 59.087 -3.887 1
1 198 . 20 1 1 A 18 18 TRP CB C 18 29.500 29.663 -0.163 1
1 204 . 20 1 1 A 18 18 TRP N N 18 121.200 120.704 0.496 1
1 206 . 20 1 1 A 19 19 LYS H H 19 7.920 8.351 -0.431 1
1 207 . 20 1 1 A 19 19 LYS HA H 19 4.180 4.350 -0.170 1
1 216 . 20 1 1 A 19 19 LYS CA C 19 58.100 58.516 -0.416 1
1 217 . 20 1 1 A 19 19 LYS CB C 19 32.200 31.224 0.976 1
1 221 . 20 1 1 A 19 19 LYS N N 19 121.100 117.793 3.307 1
1 222 . 20 1 1 A 20 20 ASN H H 20 8.630 9.131 -0.501 1
1 223 . 20 1 1 A 20 20 ASN HA H 20 4.760 4.587 0.173 1
1 228 . 20 1 1 A 20 20 ASN CA C 20 53.600 53.990 -0.390 1
1 229 . 20 1 1 A 20 20 ASN CB C 20 38.200 37.886 0.314 1
1 230 . 20 1 1 A 20 20 ASN N N 20 116.500 119.912 -3.412 1
1 232 . 20 1 1 A 21 21 THR H H 21 8.320 8.675 -0.355 1
1 233 . 20 1 1 A 21 21 THR HA H 21 4.470 4.438 0.032 1
1 238 . 20 1 1 A 21 21 THR CA C 21 62.500 61.990 0.510 1
1 239 . 20 1 1 A 21 21 THR CB C 21 70.700 68.677 2.023 1
1 241 . 20 1 1 A 21 21 THR N N 21 113.700 118.998 -5.298 1
1 242 . 20 1 1 A 22 22 LYS H H 22 8.440 8.731 -0.291 1
1 243 . 20 1 1 A 22 22 LYS HA H 22 4.500 4.486 0.014 1
1 252 . 20 1 1 A 22 22 LYS CA C 22 56.700 57.141 -0.441 1
1 253 . 20 1 1 A 22 22 LYS CB C 22 31.700 31.952 -0.252 1
1 257 . 20 1 1 A 22 22 LYS N N 22 120.900 120.830 0.070 1
1 258 . 20 1 1 A 23 23 HIS H H 23 8.110 7.519 0.591 1
1 259 . 20 1 1 A 23 23 HIS HA H 23 4.450 4.272 0.178 1
1 264 . 20 1 1 A 23 23 HIS CA C 23 57.300 60.004 -2.704 1
1 265 . 20 1 1 A 23 23 HIS CB C 23 27.900 29.718 -1.818 1
1 268 . 20 1 1 A 23 23 HIS N N 23 116.800 119.710 -2.910 1
1 269 . 20 1 1 A 24 24 ALA H H 24 8.490 8.461 0.029 1
1 270 . 20 1 1 A 24 24 ALA HA H 24 4.000 4.281 -0.281 1
1 274 . 20 1 1 A 24 24 ALA CA C 24 55.700 55.286 0.414 1
1 275 . 20 1 1 A 24 24 ALA CB C 24 18.000 18.262 -0.262 1
1 276 . 20 1 1 A 24 24 ALA N N 24 121.700 121.935 -0.235 1
1 277 . 20 1 1 A 25 25 ASP H H 25 8.370 8.333 0.037 1
1 278 . 20 1 1 A 25 25 ASP HA H 25 4.450 4.417 0.033 1
1 281 . 20 1 1 A 25 25 ASP CA C 25 56.800 57.830 -1.030 1
1 282 . 20 1 1 A 25 25 ASP CB C 25 40.200 41.721 -1.521 1
1 283 . 20 1 1 A 25 25 ASP N N 25 119.100 118.808 0.292 1
1 284 . 20 1 1 A 26 26 GLN H H 26 8.020 8.593 -0.573 1
1 285 . 20 1 1 A 26 26 GLN HA H 26 4.250 4.020 0.230 1
1 292 . 20 1 1 A 26 26 GLN CA C 26 58.600 59.221 -0.621 1
1 293 . 20 1 1 A 26 26 GLN CB C 26 28.500 28.148 0.352 1
1 295 . 20 1 1 A 26 26 GLN N N 26 119.500 117.775 1.725 1
1 297 . 20 1 1 A 27 27 TRP H H 27 8.610 8.055 0.555 1
1 298 . 20 1 1 A 27 27 TRP HA H 27 3.840 4.437 -0.597 1
1 307 . 20 1 1 A 27 27 TRP CA C 27 62.400 59.702 2.698 1
1 308 . 20 1 1 A 27 27 TRP CB C 27 28.300 29.622 -1.322 1
1 314 . 20 1 1 A 27 27 TRP N N 27 122.000 121.324 0.676 1
1 316 . 20 1 1 A 28 28 THR H H 28 8.460 7.929 0.531 1
1 317 . 20 1 1 A 28 28 THR HA H 28 3.790 4.145 -0.355 1
1 322 . 20 1 1 A 28 28 THR CA C 28 67.000 67.041 -0.041 1
1 323 . 20 1 1 A 28 28 THR CB C 28 68.900 68.373 0.527 1
1 325 . 20 1 1 A 28 28 THR N N 28 114.800 114.798 0.002 1
1 326 . 20 1 1 A 29 29 ASN H H 29 8.650 9.073 -0.423 1
1 327 . 20 1 1 A 29 29 ASN HA H 29 4.530 4.417 0.113 1
1 332 . 20 1 1 A 29 29 ASN CA C 29 56.600 56.536 0.064 1
1 333 . 20 1 1 A 29 29 ASN CB C 29 38.400 39.207 -0.807 1
1 334 . 20 1 1 A 29 29 ASN N N 29 118.500 119.691 -1.191 1
1 336 . 20 1 1 A 30 30 THR H H 30 8.170 7.925 0.245 1
1 337 . 20 1 1 A 30 30 THR HA H 30 4.160 4.173 -0.013 1
1 342 . 20 1 1 A 30 30 THR CA C 30 66.100 67.267 -1.167 1
1 343 . 20 1 1 A 30 30 THR CB C 30 69.300 68.143 1.157 1
1 345 . 20 1 1 A 30 30 THR N N 30 113.100 115.568 -2.468 1
1 346 . 20 1 1 A 31 31 ILE H H 31 8.030 7.613 0.417 1
1 347 . 20 1 1 A 31 31 ILE HA H 31 3.850 3.713 0.137 1
1 357 . 20 1 1 A 31 31 ILE CA C 31 65.200 65.699 -0.499 1
1 358 . 20 1 1 A 31 31 ILE CB C 31 36.300 37.701 -1.401 1
1 362 . 20 1 1 A 31 31 ILE N N 31 122.000 121.398 0.602 1
1 363 . 20 1 1 A 32 32 LYS H H 32 8.320 8.541 -0.221 1
1 364 . 20 1 1 A 32 32 LYS HA H 32 4.090 3.996 0.094 1
1 373 . 20 1 1 A 32 32 LYS CA C 32 60.500 59.604 0.896 1
1 374 . 20 1 1 A 32 32 LYS CB C 32 32.500 32.200 0.300 1
1 378 . 20 1 1 A 32 32 LYS N N 32 121.300 121.167 0.133 1
1 379 . 20 1 1 A 33 33 THR H H 33 8.160 7.625 0.535 1
1 380 . 20 1 1 A 33 33 THR HA H 33 3.690 3.948 -0.258 1
1 385 . 20 1 1 A 33 33 THR CA C 33 66.500 66.238 0.262 1
1 386 . 20 1 1 A 33 33 THR CB C 33 69.200 69.098 0.102 1
1 388 . 20 1 1 A 33 33 THR N N 33 113.400 116.139 -2.739 1
1 389 . 20 1 1 A 34 34 TYR H H 34 7.640 8.208 -0.568 1
1 390 . 20 1 1 A 34 34 TYR HA H 34 4.670 4.383 0.287 1
1 397 . 20 1 1 A 34 34 TYR CA C 34 59.800 60.433 -0.633 1
1 398 . 20 1 1 A 34 34 TYR CB C 34 39.800 39.021 0.779 1
1 401 . 20 1 1 A 34 34 TYR N N 34 113.700 118.814 -5.114 1
1 402 . 20 1 1 A 35 35 CYS H H 35 8.170 8.297 -0.127 1
1 403 . 20 1 1 A 35 35 CYS HA H 35 4.470 4.283 0.187 1
1 406 . 20 1 1 A 35 35 CYS CA C 35 60.700 62.751 -2.051 1
1 407 . 20 1 1 A 35 35 CYS CB C 35 27.700 27.172 0.528 1
1 408 . 20 1 1 A 35 35 CYS N N 35 113.100 118.409 -5.309 1
1 409 . 20 1 1 A 36 36 GLY H H 36 8.110 8.231 -0.121 1
1 410 . 20 1 1 A 36 36 GLY HA2 H 36 3.880 3.799 0.081 1
1 411 . 20 1 1 A 36 36 GLY HA3 H 36 4.480 3.839 0.641 1
1 412 . 20 1 1 A 36 36 GLY CA C 36 49.400 48.258 1.142 1
1 413 . 20 1 1 A 36 36 GLY N N 36 110.800 109.578 1.222 1
1 414 . 20 1 1 A 37 37 PRO HA H 37 4.470 4.381 0.089 1
1 421 . 20 1 1 A 37 37 PRO CA C 37 64.400 64.808 -0.408 1
1 422 . 20 1 1 A 37 37 PRO CB C 37 32.700 31.462 1.238 1
1 425 . 20 1 1 A 38 38 VAL H H 38 7.270 7.627 -0.357 1
1 426 . 20 1 1 A 38 38 VAL HA H 38 4.190 4.135 0.055 1
1 434 . 20 1 1 A 38 38 VAL CA C 38 63.600 63.279 0.321 1
1 435 . 20 1 1 A 38 38 VAL CB C 38 34.800 32.519 2.281 1
1 438 . 20 1 1 A 38 38 VAL N N 38 113.900 115.459 -1.559 1
1 439 . 20 1 1 A 39 39 ILE H H 39 7.590 7.814 -0.224 1
1 440 . 20 1 1 A 39 39 ILE HA H 39 4.590 4.055 0.535 1
1 450 . 20 1 1 A 39 39 ILE CA C 39 60.500 62.152 -1.652 1
1 451 . 20 1 1 A 39 39 ILE CB C 39 39.500 37.785 1.715 1
1 455 . 20 1 1 A 39 39 ILE N N 39 107.400 115.895 -8.495 1
1 456 . 20 1 1 A 40 40 GLY H H 40 7.670 8.107 -0.437 1
1 457 . 20 1 1 A 40 40 GLY HA2 H 40 4.040 3.868 0.172 1
1 458 . 20 1 1 A 40 40 GLY HA3 H 40 4.430 4.024 0.406 1
1 459 . 20 1 1 A 40 40 GLY CA C 40 49.400 48.310 1.090 1
1 460 . 20 1 1 A 40 40 GLY N N 40 109.200 112.447 -3.247 1
1 461 . 20 1 1 A 41 41 PRO HA H 41 4.770 4.539 0.231 1
1 468 . 20 1 1 A 41 41 PRO CA C 41 63.200 63.889 -0.689 1
1 469 . 20 1 1 A 41 41 PRO CB C 41 31.800 32.212 -0.412 1
1 472 . 20 1 1 A 42 42 LEU H H 42 7.540 7.420 0.120 1
1 473 . 20 1 1 A 42 42 LEU HA H 42 4.320 4.428 -0.108 1
1 483 . 20 1 1 A 42 42 LEU CA C 42 54.000 54.112 -0.112 1
1 484 . 20 1 1 A 42 42 LEU CB C 42 42.000 43.034 -1.034 1
1 488 . 20 1 1 A 42 42 LEU N N 42 119.600 120.486 -0.886 1
1 489 . 20 1 1 A 43 43 SER H H 43 8.880 8.597 0.283 1
1 490 . 20 1 1 A 43 43 SER HA H 43 4.510 4.706 -0.196 1
1 493 . 20 1 1 A 43 43 SER CA C 43 58.600 59.718 -1.118 1
1 494 . 20 1 1 A 43 43 SER CB C 43 63.000 63.504 -0.504 1
1 495 . 20 1 1 A 43 43 SER N N 43 116.100 116.971 -0.871 1
1 496 . 20 1 1 A 44 44 VAL H H 44 9.020 8.554 0.466 1
1 497 . 20 1 1 A 44 44 VAL HA H 44 3.920 4.149 -0.229 1
1 505 . 20 1 1 A 44 44 VAL CA C 44 65.900 64.907 0.993 1
1 506 . 20 1 1 A 44 44 VAL CB C 44 32.100 32.044 0.056 1
1 509 . 20 1 1 A 44 44 VAL N N 44 124.400 126.799 -2.399 1
1 510 . 20 1 1 A 45 45 GLN H H 45 8.700 8.047 0.653 1
1 511 . 20 1 1 A 45 45 GLN HA H 45 4.170 4.038 0.132 1
1 518 . 20 1 1 A 45 45 GLN CA C 45 57.400 58.876 -1.476 1
1 519 . 20 1 1 A 45 45 GLN CB C 45 29.000 28.311 0.689 1
1 521 . 20 1 1 A 45 45 GLN N N 45 120.500 120.841 -0.341 1
1 523 . 20 1 1 A 46 46 ASP H H 46 7.870 7.972 -0.102 1
1 524 . 20 1 1 A 46 46 ASP HA H 46 4.720 4.556 0.164 1
1 527 . 20 1 1 A 46 46 ASP CA C 46 54.400 55.912 -1.512 1
1 528 . 20 1 1 A 46 46 ASP CB C 46 40.800 41.040 -0.240 1
1 529 . 20 1 1 A 46 46 ASP N N 46 117.200 118.413 -1.213 1
1 530 . 20 1 1 A 47 47 VAL H H 47 6.970 6.943 0.027 1
1 531 . 20 1 1 A 47 47 VAL HA H 47 3.490 3.870 -0.380 1
1 539 . 20 1 1 A 47 47 VAL CA C 47 65.200 62.979 2.221 1
1 540 . 20 1 1 A 47 47 VAL CB C 47 31.100 31.545 -0.445 1
1 543 . 20 1 1 A 47 47 VAL N N 47 118.500 120.954 -2.454 1
1 544 . 20 1 1 A 48 48 ASP H H 48 7.220 7.859 -0.639 1
1 545 . 20 1 1 A 48 48 ASP HA H 48 4.910 4.991 -0.081 1
1 548 . 20 1 1 A 48 48 ASP CA C 48 51.600 51.834 -0.234 1
1 549 . 20 1 1 A 48 48 ASP CB C 48 42.700 42.536 0.164 1
1 550 . 20 1 1 A 48 48 ASP N N 48 128.000 128.718 -0.718 1
1 551 . 20 1 1 A 49 49 THR H H 49 8.490 8.571 -0.081 1
1 552 . 20 1 1 A 49 49 THR HA H 49 3.770 3.810 -0.040 1
1 557 . 20 1 1 A 49 49 THR CA C 49 67.300 66.944 0.356 1
1 558 . 20 1 1 A 49 49 THR CB C 49 68.900 68.774 0.126 1
1 560 . 20 1 1 A 49 49 THR N N 49 115.800 111.986 3.814 1
1 561 . 20 1 1 A 50 50 LYS H H 50 7.860 8.480 -0.620 1
1 562 . 20 1 1 A 50 50 LYS HA H 50 3.860 4.089 -0.229 1
1 571 . 20 1 1 A 50 50 LYS CA C 50 60.000 59.593 0.407 1
1 572 . 20 1 1 A 50 50 LYS CB C 50 31.600 31.351 0.249 1
1 576 . 20 1 1 A 50 50 LYS N N 50 120.500 121.343 -0.843 1
1 577 . 20 1 1 A 51 51 LEU H H 51 8.190 8.104 0.086 1
1 578 . 20 1 1 A 51 51 LEU HA H 51 4.050 4.018 0.032 1
1 588 . 20 1 1 A 51 51 LEU CA C 51 57.600 58.250 -0.650 1
1 589 . 20 1 1 A 51 51 LEU CB C 51 42.400 41.584 0.816 1
1 593 . 20 1 1 A 51 51 LEU N N 51 120.600 118.992 1.608 1
1 594 . 20 1 1 A 52 52 ILE H H 52 7.850 7.895 -0.045 1
1 595 . 20 1 1 A 52 52 ILE HA H 52 3.440 3.563 -0.123 1
1 605 . 20 1 1 A 52 52 ILE CA C 52 65.200 64.859 0.341 1
1 606 . 20 1 1 A 52 52 ILE CB C 52 36.700 37.239 -0.539 1
1 610 . 20 1 1 A 52 52 ILE N N 52 118.600 120.237 -1.637 1
1 611 . 20 1 1 A 53 53 MET H H 53 8.540 8.631 -0.091 1
1 612 . 20 1 1 A 53 53 MET HA H 53 4.040 4.134 -0.094 1
1 620 . 20 1 1 A 53 53 MET CA C 53 59.000 59.415 -0.415 1
1 621 . 20 1 1 A 53 53 MET CB C 53 31.300 32.968 -1.668 1
1 624 . 20 1 1 A 53 53 MET N N 53 118.600 117.987 0.613 1
1 625 . 20 1 1 A 54 54 LYS H H 54 7.620 7.684 -0.064 1
1 626 . 20 1 1 A 54 54 LYS HA H 54 4.140 4.151 -0.011 1
1 635 . 20 1 1 A 54 54 LYS CA C 54 59.200 59.028 0.172 1
1 636 . 20 1 1 A 54 54 LYS CB C 54 32.300 32.664 -0.364 1
1 640 . 20 1 1 A 54 54 LYS N N 54 119.100 118.958 0.142 1
1 641 . 20 1 1 A 55 55 VAL H H 55 7.560 7.617 -0.057 1
1 642 . 20 1 1 A 55 55 VAL HA H 55 3.670 3.596 0.074 1
1 650 . 20 1 1 A 55 55 VAL CA C 55 65.600 65.985 -0.385 1
1 651 . 20 1 1 A 55 55 VAL CB C 55 31.900 31.588 0.312 1
1 654 . 20 1 1 A 55 55 VAL N N 55 117.200 119.187 -1.987 1
1 655 . 20 1 1 A 56 56 LEU H H 56 7.790 8.004 -0.214 1
1 656 . 20 1 1 A 56 56 LEU HA H 56 3.900 3.782 0.118 1
1 666 . 20 1 1 A 56 56 LEU CA C 56 56.400 57.747 -1.347 1
1 667 . 20 1 1 A 56 56 LEU CB C 56 42.700 41.006 1.694 1
1 671 . 20 1 1 A 56 56 LEU N N 56 114.400 118.136 -3.736 1
1 672 . 20 1 1 A 57 57 ASP H H 57 8.850 8.460 0.390 1
1 673 . 20 1 1 A 57 57 ASP HA H 57 4.140 4.714 -0.574 1
1 676 . 20 1 1 A 57 57 ASP CA C 57 59.100 59.374 -0.274 1
1 677 . 20 1 1 A 57 57 ASP CB C 57 38.200 38.251 -0.051 1
1 678 . 20 1 1 A 57 57 ASP N N 57 120.500 120.833 -0.333 1
1 679 . 20 1 1 A 58 58 PRO HA H 58 4.520 4.448 0.072 1
1 686 . 20 1 1 A 58 58 PRO CA C 58 65.300 65.037 0.263 1
1 687 . 20 1 1 A 58 58 PRO CB C 58 31.700 31.342 0.358 1
1 690 . 20 1 1 A 59 59 ILE H H 59 7.400 7.368 0.032 1
1 691 . 20 1 1 A 59 59 ILE HA H 59 4.060 3.854 0.206 1
1 701 . 20 1 1 A 59 59 ILE CA C 59 62.300 63.680 -1.380 1
1 702 . 20 1 1 A 59 59 ILE CB C 59 39.300 36.472 2.828 1
1 706 . 20 1 1 A 59 59 ILE N N 59 113.300 116.386 -3.086 1
1 707 . 20 1 1 A 60 60 TRP H H 60 8.000 7.583 0.417 1
1 708 . 20 1 1 A 60 60 TRP HA H 60 3.830 4.445 -0.615 1
1 717 . 20 1 1 A 60 60 TRP CA C 60 61.300 59.719 1.581 1
1 718 . 20 1 1 A 60 60 TRP CB C 60 29.700 29.562 0.138 1
1 724 . 20 1 1 A 60 60 TRP N N 60 120.900 121.572 -0.672 1
1 726 . 20 1 1 A 61 61 GLU H H 61 7.840 8.337 -0.497 1
1 727 . 20 1 1 A 61 61 GLU HA H 61 4.110 4.277 -0.167 1
1 732 . 20 1 1 A 61 61 GLU CA C 61 58.100 59.198 -1.098 1
1 733 . 20 1 1 A 61 61 GLU CB C 61 29.500 29.443 0.057 1
1 735 . 20 1 1 A 61 61 GLU N N 61 112.300 119.868 -7.568 1
1 736 . 20 1 1 A 62 62 GLN H H 62 7.710 7.572 0.138 1
1 737 . 20 1 1 A 62 62 GLN HA H 62 4.400 4.413 -0.013 1
1 744 . 20 1 1 A 62 62 GLN CA C 62 57.200 57.409 -0.209 1
1 745 . 20 1 1 A 62 62 GLN CB C 62 30.800 30.088 0.712 1
1 747 . 20 1 1 A 62 62 GLN N N 62 115.200 117.402 -2.202 1
1 749 . 20 1 1 A 63 63 LYS H H 63 8.500 8.225 0.275 1
1 750 . 20 1 1 A 63 63 LYS HA H 63 4.860 4.793 0.067 1
1 759 . 20 1 1 A 63 63 LYS CA C 63 53.300 53.721 -0.421 1
1 760 . 20 1 1 A 63 63 LYS CB C 63 33.800 33.063 0.737 1
1 764 . 20 1 1 A 63 63 LYS N N 63 117.800 118.720 -0.920 1
1 765 . 20 1 1 A 64 64 PRO HA H 64 4.110 4.436 -0.326 1
1 772 . 20 1 1 A 64 64 PRO CA C 64 66.000 65.682 0.318 1
1 773 . 20 1 1 A 64 64 PRO CB C 64 31.500 31.963 -0.463 1
1 776 . 20 1 1 A 65 65 GLU H H 65 8.680 9.086 -0.406 1
1 777 . 20 1 1 A 65 65 GLU HA H 65 4.120 4.141 -0.021 1
1 782 . 20 1 1 A 65 65 GLU CA C 65 59.300 59.126 0.174 1
1 783 . 20 1 1 A 65 65 GLU CB C 65 28.500 28.853 -0.353 1
1 785 . 20 1 1 A 65 65 GLU N N 65 117.800 116.818 0.982 1
1 786 . 20 1 1 A 66 66 THR H H 66 7.370 8.026 -0.656 1
1 787 . 20 1 1 A 66 66 THR HA H 66 3.820 3.727 0.093 1
1 792 . 20 1 1 A 66 66 THR CA C 66 66.200 66.203 -0.003 1
1 793 . 20 1 1 A 66 66 THR CB C 66 68.200 68.384 -0.184 1
1 795 . 20 1 1 A 66 66 THR N N 66 117.800 116.767 1.033 1
1 796 . 20 1 1 A 67 67 ALA H H 67 7.890 8.022 -0.132 1
1 797 . 20 1 1 A 67 67 ALA HA H 67 3.380 3.603 -0.223 1
1 801 . 20 1 1 A 67 67 ALA CA C 67 55.200 54.978 0.222 1
1 802 . 20 1 1 A 67 67 ALA CB C 67 17.400 17.170 0.230 1
1 803 . 20 1 1 A 67 67 ALA N N 67 123.900 124.073 -0.173 1
1 804 . 20 1 1 A 68 68 SER H H 68 7.920 7.715 0.205 1
1 805 . 20 1 1 A 68 68 SER HA H 68 4.070 4.269 -0.199 1
1 808 . 20 1 1 A 68 68 SER CA C 68 61.200 61.277 -0.077 1
1 809 . 20 1 1 A 68 68 SER CB C 68 62.700 63.058 -0.358 1
1 810 . 20 1 1 A 68 68 SER N N 68 111.500 113.246 -1.746 1
1 811 . 20 1 1 A 69 69 ARG H H 69 7.840 8.015 -0.175 1
1 812 . 20 1 1 A 69 69 ARG HA H 69 4.010 3.992 0.018 1
1 819 . 20 1 1 A 69 69 ARG CA C 69 58.700 58.794 -0.094 1
1 820 . 20 1 1 A 69 69 ARG CB C 69 30.000 29.865 0.135 1
1 823 . 20 1 1 A 69 69 ARG N N 69 121.200 121.764 -0.564 1
1 824 . 20 1 1 A 70 70 LEU H H 70 8.490 8.217 0.273 1
1 825 . 20 1 1 A 70 70 LEU HA H 70 3.740 3.947 -0.207 1
1 835 . 20 1 1 A 70 70 LEU CA C 70 57.500 57.560 -0.060 1
1 836 . 20 1 1 A 70 70 LEU CB C 70 41.100 41.811 -0.711 1
1 840 . 20 1 1 A 70 70 LEU N N 70 121.100 121.358 -0.258 1
1 841 . 20 1 1 A 71 71 ARG H H 71 8.460 7.855 0.605 1
1 842 . 20 1 1 A 71 71 ARG HA H 71 3.540 4.058 -0.518 1
1 850 . 20 1 1 A 71 71 ARG CA C 71 60.700 59.194 1.506 1
1 851 . 20 1 1 A 71 71 ARG CB C 71 28.000 30.016 -2.016 1
1 854 . 20 1 1 A 71 71 ARG N N 71 119.800 119.441 0.359 1
1 856 . 20 1 1 A 72 72 GLY H H 72 7.530 8.185 -0.655 1
1 857 . 20 1 1 A 72 72 GLY HA2 H 72 3.980 3.676 0.304 1
1 858 . 20 1 1 A 72 72 GLY HA3 H 72 3.870 3.738 0.132 1
1 859 . 20 1 1 A 72 72 GLY CA C 72 47.100 47.374 -0.274 1
1 860 . 20 1 1 A 72 72 GLY N N 72 103.400 108.312 -4.912 1
1 861 . 20 1 1 A 73 73 ARG H H 73 7.800 7.668 0.132 1
1 862 . 20 1 1 A 73 73 ARG HA H 73 3.930 3.818 0.112 1
1 869 . 20 1 1 A 73 73 ARG CA C 73 59.400 59.208 0.192 1
1 870 . 20 1 1 A 73 73 ARG CB C 73 29.500 29.859 -0.359 1
1 873 . 20 1 1 A 73 73 ARG N N 73 122.800 121.441 1.359 1
1 874 . 20 1 1 A 74 74 ILE H H 74 8.420 8.256 0.164 1
1 875 . 20 1 1 A 74 74 ILE HA H 74 3.440 3.890 -0.450 1
1 885 . 20 1 1 A 74 74 ILE CA C 74 66.500 65.524 0.976 1
1 886 . 20 1 1 A 74 74 ILE CB C 74 38.300 37.577 0.723 1
1 890 . 20 1 1 A 74 74 ILE N N 74 118.800 121.047 -2.247 1
1 891 . 20 1 1 A 75 75 GLU H H 75 8.620 9.290 -0.670 1
1 892 . 20 1 1 A 75 75 GLU HA H 75 3.840 4.004 -0.164 1
1 897 . 20 1 1 A 75 75 GLU CA C 75 59.900 59.790 0.110 1
1 898 . 20 1 1 A 75 75 GLU CB C 75 29.400 29.623 -0.223 1
1 900 . 20 1 1 A 75 75 GLU N N 75 119.200 121.520 -2.320 1
1 901 . 20 1 1 A 76 76 SER H H 76 8.380 7.877 0.503 1
1 902 . 20 1 1 A 76 76 SER HA H 76 4.460 4.232 0.228 1
1 905 . 20 1 1 A 76 76 SER CA C 76 62.900 62.758 0.142 1
1 906 . 20 1 1 A 76 76 SER CB C 76 63.000 63.203 -0.203 1
1 907 . 20 1 1 A 76 76 SER N N 76 116.000 116.962 -0.962 1
1 908 . 20 1 1 A 77 77 VAL H H 77 8.190 7.771 0.419 1
1 909 . 20 1 1 A 77 77 VAL HA H 77 3.290 3.254 0.036 1
1 917 . 20 1 1 A 77 77 VAL CA C 77 66.800 66.784 0.016 1
1 918 . 20 1 1 A 77 77 VAL CB C 77 31.400 31.435 -0.035 1
1 921 . 20 1 1 A 77 77 VAL N N 77 122.800 121.849 0.951 1
1 922 . 20 1 1 A 78 78 LEU H H 78 8.590 8.805 -0.215 1
1 923 . 20 1 1 A 78 78 LEU HA H 78 4.270 4.051 0.219 1
1 933 . 20 1 1 A 78 78 LEU CA C 78 57.800 58.287 -0.487 1
1 934 . 20 1 1 A 78 78 LEU CB C 78 40.900 40.733 0.167 1
1 938 . 20 1 1 A 78 78 LEU N N 78 116.900 119.444 -2.544 1
1 939 . 20 1 1 A 79 79 ASP H H 79 8.790 8.527 0.263 1
1 940 . 20 1 1 A 79 79 ASP HA H 79 4.730 4.327 0.403 1
1 943 . 20 1 1 A 79 79 ASP CA C 79 57.900 57.357 0.543 1
1 944 . 20 1 1 A 79 79 ASP CB C 79 40.400 41.621 -1.221 1
1 945 . 20 1 1 A 79 79 ASP N N 79 123.800 118.981 4.819 1
1 946 . 20 1 1 A 80 80 TRP H H 80 8.210 8.222 -0.012 1
1 947 . 20 1 1 A 80 80 TRP HA H 80 4.380 4.314 0.066 1
1 956 . 20 1 1 A 80 80 TRP CA C 80 61.600 61.427 0.173 1
1 957 . 20 1 1 A 80 80 TRP CB C 80 29.100 29.385 -0.285 1
1 963 . 20 1 1 A 80 80 TRP N N 80 123.700 121.644 2.056 1
1 965 . 20 1 1 A 81 81 ALA H H 81 8.980 8.825 0.155 1
1 966 . 20 1 1 A 81 81 ALA HA H 81 3.850 4.017 -0.167 1
1 970 . 20 1 1 A 81 81 ALA CA C 81 54.500 55.277 -0.777 1
1 971 . 20 1 1 A 81 81 ALA CB C 81 19.600 18.299 1.301 1
1 972 . 20 1 1 A 81 81 ALA N N 81 118.400 121.117 -2.717 1
1 973 . 20 1 1 A 82 82 THR H H 82 7.990 7.906 0.084 1
1 974 . 20 1 1 A 82 82 THR HA H 82 4.310 3.923 0.387 1
1 979 . 20 1 1 A 82 82 THR CA C 82 65.800 66.787 -0.987 1
1 980 . 20 1 1 A 82 82 THR CB C 82 68.800 68.230 0.570 1
1 982 . 20 1 1 A 82 82 THR N N 82 116.400 114.778 1.622 1
1 983 . 20 1 1 A 83 83 VAL H H 83 7.970 8.077 -0.107 1
1 984 . 20 1 1 A 83 83 VAL HA H 83 3.720 3.443 0.277 1
1 992 . 20 1 1 A 83 83 VAL CA C 83 65.900 66.925 -1.025 1
1 993 . 20 1 1 A 83 83 VAL CB C 83 31.400 31.256 0.144 1
1 996 . 20 1 1 A 83 83 VAL N N 83 123.700 121.278 2.422 1
1 997 . 20 1 1 A 84 84 ARG H H 84 7.300 7.404 -0.104 1
1 998 . 20 1 1 A 84 84 ARG HA H 84 3.740 3.936 -0.196 1
1 1005 . 20 1 1 A 84 84 ARG CA C 84 55.300 55.278 0.022 1
1 1006 . 20 1 1 A 84 84 ARG CB C 84 29.400 29.835 -0.435 1
1 1009 . 20 1 1 A 84 84 ARG N N 84 115.400 118.388 -2.988 1
1 1010 . 20 1 1 A 85 85 GLY H H 85 7.510 7.386 0.124 1
1 1011 . 20 1 1 A 85 85 GLY HA2 H 85 4.010 3.778 0.232 1
1 1012 . 20 1 1 A 85 85 GLY HA3 H 85 3.830 3.836 -0.006 1
1 1013 . 20 1 1 A 85 85 GLY CA C 85 45.400 46.015 -0.615 1
1 1014 . 20 1 1 A 85 85 GLY N N 85 105.600 107.489 -1.889 1
1 1015 . 20 1 1 A 86 86 TYR H H 86 8.120 8.491 -0.371 1
1 1016 . 20 1 1 A 86 86 TYR HA H 86 4.740 4.522 0.218 1
1 1023 . 20 1 1 A 86 86 TYR CA C 86 55.800 59.139 -3.339 1
1 1024 . 20 1 1 A 86 86 TYR CB C 86 38.000 39.808 -1.808 1
1 1027 . 20 1 1 A 86 86 TYR N N 86 118.700 118.228 0.472 1
1 1028 . 20 1 1 A 87 87 ARG H H 87 7.500 7.809 -0.309 1
1 1029 . 20 1 1 A 87 87 ARG HA H 87 4.710 4.636 0.074 1
1 1037 . 20 1 1 A 87 87 ARG CA C 87 54.100 54.303 -0.203 1
1 1038 . 20 1 1 A 87 87 ARG CB C 87 31.900 32.813 -0.913 1
1 1041 . 20 1 1 A 87 87 ARG N N 87 111.200 116.144 -4.944 1
1 1043 . 20 1 1 A 88 88 GLU H H 88 9.190 8.603 0.587 1
1 1044 . 20 1 1 A 88 88 GLU HA H 88 4.760 4.415 0.345 1
1 1049 . 20 1 1 A 88 88 GLU CA C 88 54.800 56.343 -1.543 1
1 1050 . 20 1 1 A 88 88 GLU CB C 88 32.500 30.433 2.067 1
1 1052 . 20 1 1 A 88 88 GLU N N 88 118.800 119.623 -0.823 1
1 1053 . 20 1 1 A 89 89 GLY H H 89 8.580 8.600 -0.020 1
1 1054 . 20 1 1 A 89 89 GLY HA2 H 89 3.850 3.865 -0.015 1
1 1055 . 20 1 1 A 89 89 GLY HA3 H 89 4.500 3.867 0.633 1
1 1056 . 20 1 1 A 89 89 GLY CA C 89 43.700 45.400 -1.700 1
1 1057 . 20 1 1 A 89 89 GLY N N 89 107.900 110.997 -3.097 1
1 1058 . 20 1 1 A 90 90 ASP H H 90 8.630 7.935 0.695 1
1 1059 . 20 1 1 A 90 90 ASP HA H 90 4.480 4.982 -0.502 1
1 1062 . 20 1 1 A 90 90 ASP CA C 90 54.600 53.130 1.470 1
1 1063 . 20 1 1 A 90 90 ASP CB C 90 40.500 42.879 -2.379 1
1 1064 . 20 1 1 A 90 90 ASP N N 90 120.700 121.545 -0.845 1
1 1065 . 20 1 1 A 91 91 ASN H H 91 8.930 8.647 0.283 1
1 1066 . 20 1 1 A 91 91 ASN HA H 91 4.580 5.318 -0.738 1
1 1071 . 20 1 1 A 91 91 ASN CA C 91 51.100 49.720 1.380 1
1 1072 . 20 1 1 A 91 91 ASN CB C 91 39.100 39.772 -0.672 1
1 1073 . 20 1 1 A 91 91 ASN N N 91 122.700 123.974 -1.274 1
1 1075 . 20 1 1 A 92 92 PRO HA H 92 4.490 4.151 0.339 1
1 1082 . 20 1 1 A 92 92 PRO CA C 92 63.500 63.747 -0.247 1
1 1083 . 20 1 1 A 92 92 PRO CB C 92 32.300 31.536 0.764 1
1 1086 . 20 1 1 A 93 93 ALA H H 93 8.610 7.641 0.969 1
1 1087 . 20 1 1 A 93 93 ALA HA H 93 4.450 3.929 0.521 1
1 1091 . 20 1 1 A 93 93 ALA CA C 93 52.000 52.807 -0.807 1
1 1092 . 20 1 1 A 93 93 ALA CB C 93 18.100 19.358 -1.258 1
1 1093 . 20 1 1 A 93 93 ALA N N 93 120.500 118.554 1.946 1
1 1094 . 20 1 1 A 94 94 ARG H H 94 7.280 7.093 0.187 1
1 1095 . 20 1 1 A 94 94 ARG HA H 94 3.830 4.815 -0.985 1
1 1102 . 20 1 1 A 94 94 ARG CA C 94 55.500 54.709 0.791 1
1 1103 . 20 1 1 A 94 94 ARG CB C 94 30.500 31.948 -1.448 1
1 1106 . 20 1 1 A 94 94 ARG N N 94 118.100 119.051 -0.951 1
1 1107 . 20 1 1 A 95 95 TRP H H 95 7.310 9.008 -1.698 1
1 1108 . 20 1 1 A 95 95 TRP HA H 95 4.610 5.168 -0.558 1
1 1117 . 20 1 1 A 95 95 TRP CA C 95 55.200 55.722 -0.522 1
1 1118 . 20 1 1 A 95 95 TRP CB C 95 29.500 32.475 -2.975 1
1 1124 . 20 1 1 A 95 95 TRP N N 95 121.200 126.740 -5.540 1
1 1126 . 20 1 1 A 96 96 ARG H H 96 8.380 9.248 -0.868 1
1 1127 . 20 1 1 A 96 96 ARG HA H 96 4.140 4.466 -0.326 1
1 1134 . 20 1 1 A 96 96 ARG CA C 96 57.200 56.502 0.698 1
1 1135 . 20 1 1 A 96 96 ARG CB C 96 29.900 31.841 -1.941 1
1 1138 . 20 1 1 A 96 96 ARG N N 96 122.100 123.972 -1.872 1
1 1139 . 20 1 1 A 97 97 GLY H H 97 7.920 8.150 -0.230 1
1 1140 . 20 1 1 A 97 97 GLY HA2 H 97 3.710 4.087 -0.377 1
1 1141 . 20 1 1 A 97 97 GLY HA3 H 97 3.630 4.104 -0.474 1
1 1142 . 20 1 1 A 97 97 GLY CA C 97 45.700 45.977 -0.277 1
1 1143 . 20 1 1 A 97 97 GLY N N 97 110.500 107.083 3.417 1
1 1144 . 20 1 1 A 98 98 TYR H H 98 7.770 8.256 -0.486 1
1 1145 . 20 1 1 A 98 98 TYR HA H 98 4.090 4.159 -0.069 1
1 1152 . 20 1 1 A 98 98 TYR CA C 98 59.900 60.244 -0.344 1
1 1153 . 20 1 1 A 98 98 TYR CB C 98 37.100 37.554 -0.454 1
1 1156 . 20 1 1 A 98 98 TYR N N 98 120.400 121.298 -0.898 1
1 1157 . 20 1 1 A 99 99 LEU H H 99 7.820 8.223 -0.403 1
1 1158 . 20 1 1 A 99 99 LEU HA H 99 3.890 3.503 0.387 1
1 1168 . 20 1 1 A 99 99 LEU CA C 99 55.600 57.077 -1.477 1
1 1169 . 20 1 1 A 99 99 LEU CB C 99 41.600 42.211 -0.611 1
1 1173 . 20 1 1 A 99 99 LEU N N 99 120.700 119.348 1.352 1
1 1174 . 20 1 1 A 100 100 GLU H H 100 7.680 8.136 -0.456 1
1 1175 . 20 1 1 A 100 100 GLU HA H 100 3.900 4.277 -0.377 1
1 1180 . 20 1 1 A 100 100 GLU CA C 100 56.500 58.803 -2.303 1
1 1181 . 20 1 1 A 100 100 GLU CB C 100 29.500 29.219 0.281 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 99 1.236 1
3 1 1 1 "RMS(OBS, PRED)" CB 93 1.105 1
4 1 1 1 "RMS(OBS, PRED)" H 94 0.425 1
5 1 1 1 "RMS(OBS, PRED)" HA 105 0.261 1
6 1 1 1 "RMS(OBS, PRED)" N 93 2.459 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 99 1.072 1
9 1 2 1 "RMS(OBS, PRED)" CB 93 1.065 1
10 1 2 1 "RMS(OBS, PRED)" H 94 0.431 1
11 1 2 1 "RMS(OBS, PRED)" HA 105 0.295 1
12 1 2 1 "RMS(OBS, PRED)" N 93 2.671 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 99 1.087 1
15 1 3 1 "RMS(OBS, PRED)" CB 93 1.142 1
16 1 3 1 "RMS(OBS, PRED)" H 94 0.491 1
17 1 3 1 "RMS(OBS, PRED)" HA 105 0.316 1
18 1 3 1 "RMS(OBS, PRED)" N 93 2.792 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 99 1.188 1
21 1 4 1 "RMS(OBS, PRED)" CB 93 1.059 1
22 1 4 1 "RMS(OBS, PRED)" H 94 0.509 1
23 1 4 1 "RMS(OBS, PRED)" HA 105 0.292 1
24 1 4 1 "RMS(OBS, PRED)" N 93 2.769 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 99 1.031 1
27 1 5 1 "RMS(OBS, PRED)" CB 93 0.867 1
28 1 5 1 "RMS(OBS, PRED)" H 94 0.486 1
29 1 5 1 "RMS(OBS, PRED)" HA 105 0.279 1
30 1 5 1 "RMS(OBS, PRED)" N 93 2.591 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 99 1.152 1
33 1 6 1 "RMS(OBS, PRED)" CB 93 0.953 1
34 1 6 1 "RMS(OBS, PRED)" H 94 0.427 1
35 1 6 1 "RMS(OBS, PRED)" HA 105 0.279 1
36 1 6 1 "RMS(OBS, PRED)" N 93 2.447 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 99 1.054 1
39 1 7 1 "RMS(OBS, PRED)" CB 93 1.033 1
40 1 7 1 "RMS(OBS, PRED)" H 94 0.444 1
41 1 7 1 "RMS(OBS, PRED)" HA 105 0.288 1
42 1 7 1 "RMS(OBS, PRED)" N 93 2.660 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 99 1.169 1
45 1 8 1 "RMS(OBS, PRED)" CB 93 1.075 1
46 1 8 1 "RMS(OBS, PRED)" H 94 0.386 1
47 1 8 1 "RMS(OBS, PRED)" HA 105 0.296 1
48 1 8 1 "RMS(OBS, PRED)" N 93 2.489 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 99 1.140 1
51 1 9 1 "RMS(OBS, PRED)" CB 93 1.075 1
52 1 9 1 "RMS(OBS, PRED)" H 94 0.458 1
53 1 9 1 "RMS(OBS, PRED)" HA 105 0.304 1
54 1 9 1 "RMS(OBS, PRED)" N 93 2.601 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 99 0.989 1
57 1 10 1 "RMS(OBS, PRED)" CB 93 1.021 1
58 1 10 1 "RMS(OBS, PRED)" H 94 0.496 1
59 1 10 1 "RMS(OBS, PRED)" HA 105 0.305 1
60 1 10 1 "RMS(OBS, PRED)" N 93 2.474 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 99 1.035 1
63 1 11 1 "RMS(OBS, PRED)" CB 93 1.030 1
64 1 11 1 "RMS(OBS, PRED)" H 94 0.487 1
65 1 11 1 "RMS(OBS, PRED)" HA 105 0.292 1
66 1 11 1 "RMS(OBS, PRED)" N 93 2.579 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 99 1.082 1
69 1 12 1 "RMS(OBS, PRED)" CB 93 1.062 1
70 1 12 1 "RMS(OBS, PRED)" H 94 0.468 1
71 1 12 1 "RMS(OBS, PRED)" HA 105 0.291 1
72 1 12 1 "RMS(OBS, PRED)" N 93 2.636 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 99 1.021 1
75 1 13 1 "RMS(OBS, PRED)" CB 93 1.232 1
76 1 13 1 "RMS(OBS, PRED)" H 94 0.464 1
77 1 13 1 "RMS(OBS, PRED)" HA 105 0.313 1
78 1 13 1 "RMS(OBS, PRED)" N 93 2.510 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 99 1.030 1
81 1 14 1 "RMS(OBS, PRED)" CB 93 0.993 1
82 1 14 1 "RMS(OBS, PRED)" H 94 0.475 1
83 1 14 1 "RMS(OBS, PRED)" HA 105 0.290 1
84 1 14 1 "RMS(OBS, PRED)" N 93 2.484 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 99 1.055 1
87 1 15 1 "RMS(OBS, PRED)" CB 93 0.970 1
88 1 15 1 "RMS(OBS, PRED)" H 94 0.461 1
89 1 15 1 "RMS(OBS, PRED)" HA 105 0.285 1
90 1 15 1 "RMS(OBS, PRED)" N 93 2.647 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 99 1.086 1
93 1 16 1 "RMS(OBS, PRED)" CB 93 1.045 1
94 1 16 1 "RMS(OBS, PRED)" H 94 0.438 1
95 1 16 1 "RMS(OBS, PRED)" HA 105 0.283 1
96 1 16 1 "RMS(OBS, PRED)" N 93 2.586 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 99 1.074 1
99 1 17 1 "RMS(OBS, PRED)" CB 93 1.146 1
100 1 17 1 "RMS(OBS, PRED)" H 94 0.504 1
101 1 17 1 "RMS(OBS, PRED)" HA 105 0.301 1
102 1 17 1 "RMS(OBS, PRED)" N 93 2.495 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 99 1.165 1
105 1 18 1 "RMS(OBS, PRED)" CB 93 1.014 1
106 1 18 1 "RMS(OBS, PRED)" H 94 0.450 1
107 1 18 1 "RMS(OBS, PRED)" HA 105 0.287 1
108 1 18 1 "RMS(OBS, PRED)" N 93 2.673 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 99 1.005 1
111 1 19 1 "RMS(OBS, PRED)" CB 93 1.083 1
112 1 19 1 "RMS(OBS, PRED)" H 94 0.486 1
113 1 19 1 "RMS(OBS, PRED)" HA 105 0.308 1
114 1 19 1 "RMS(OBS, PRED)" N 93 2.591 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 99 1.113 1
117 1 20 1 "RMS(OBS, PRED)" CB 93 1.034 1
118 1 20 1 "RMS(OBS, PRED)" H 94 0.464 1
119 1 20 1 "RMS(OBS, PRED)" HA 105 0.301 1
120 1 20 1 "RMS(OBS, PRED)" N 93 2.587 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 13 . 1 1 A 2 2 THR H H 2 9.230 8.676 0.554 2
1 14 . 1 1 A 2 2 THR HA H 2 5.080 5.002 0.078 2
1 19 . 1 1 A 2 2 THR CA C 2 61.000 60.457 0.543 2
1 20 . 1 1 A 2 2 THR CB C 2 70.800 71.569 -0.769 2
1 22 . 1 1 A 2 2 THR N N 2 119.100 116.589 2.511 2
1 23 . 1 1 A 3 3 PHE H H 3 9.290 9.536 -0.246 2
1 24 . 1 1 A 3 3 PHE HA H 3 3.880 4.126 -0.246 2
1 32 . 1 1 A 3 3 PHE CA C 3 63.900 62.277 1.623 2
1 33 . 1 1 A 3 3 PHE CB C 3 38.800 39.282 -0.482 2
1 37 . 1 1 A 3 3 PHE N N 3 122.600 123.684 -1.084 2
1 38 . 1 1 A 4 4 SER H H 4 9.930 8.274 1.656 2
1 39 . 1 1 A 4 4 SER HA H 4 4.000 4.127 -0.127 2
1 42 . 1 1 A 4 4 SER CA C 4 62.800 61.804 0.996 2
1 43 . 1 1 A 4 4 SER CB C 4 62.600 62.798 -0.198 2
1 44 . 1 1 A 4 4 SER N N 4 116.300 115.653 0.647 2
1 45 . 1 1 A 5 5 GLU H H 5 7.980 7.421 0.559 2
1 46 . 1 1 A 5 5 GLU HA H 5 3.990 4.028 -0.038 2
1 51 . 1 1 A 5 5 GLU CA C 5 58.800 58.933 -0.133 2
1 52 . 1 1 A 5 5 GLU CB C 5 29.700 29.805 -0.105 2
1 54 . 1 1 A 5 5 GLU N N 5 122.800 121.245 1.555 2
1 55 . 1 1 A 6 6 CYS H H 6 8.430 7.990 0.440 2
1 56 . 1 1 A 6 6 CYS HA H 6 4.120 4.128 -0.008 2
1 59 . 1 1 A 6 6 CYS CA C 6 63.300 61.840 1.460 2
1 60 . 1 1 A 6 6 CYS CB C 6 27.100 26.976 0.124 2
1 61 . 1 1 A 6 6 CYS N N 6 120.100 119.473 0.627 2
1 62 . 1 1 A 7 7 ALA H H 7 8.770 8.158 0.612 2
1 63 . 1 1 A 7 7 ALA HA H 7 3.790 3.868 -0.078 2
1 67 . 1 1 A 7 7 ALA CA C 7 55.200 54.893 0.307 2
1 68 . 1 1 A 7 7 ALA CB C 7 17.400 17.886 -0.486 2
1 69 . 1 1 A 7 7 ALA N N 7 120.400 122.293 -1.893 2
1 70 . 1 1 A 8 8 ALA H H 8 7.800 7.988 -0.188 2
1 71 . 1 1 A 8 8 ALA HA H 8 4.130 4.129 0.001 2
1 75 . 1 1 A 8 8 ALA CA C 8 55.200 55.020 0.180 2
1 76 . 1 1 A 8 8 ALA CB C 8 17.700 18.032 -0.332 2
1 77 . 1 1 A 8 8 ALA N N 8 119.200 120.780 -1.580 2
1 78 . 1 1 A 9 9 LEU H H 9 8.120 8.192 -0.072 2
1 79 . 1 1 A 9 9 LEU HA H 9 4.080 3.939 0.141 2
1 89 . 1 1 A 9 9 LEU CA C 9 57.700 57.811 -0.111 2
1 90 . 1 1 A 9 9 LEU CB C 9 42.000 42.110 -0.110 2
1 94 . 1 1 A 9 9 LEU N N 9 120.300 119.074 1.226 2
1 95 . 1 1 A 10 10 TYR H H 10 8.700 8.193 0.507 2
1 96 . 1 1 A 10 10 TYR HA H 10 2.330 2.966 -0.636 2
1 103 . 1 1 A 10 10 TYR CA C 10 62.000 60.960 1.040 2
1 104 . 1 1 A 10 10 TYR CB C 10 38.100 38.100 0.000 2
1 107 . 1 1 A 10 10 TYR N N 10 122.900 118.487 4.413 2
1 108 . 1 1 A 11 11 ILE H H 11 8.600 8.290 0.310 2
1 109 . 1 1 A 11 11 ILE HA H 11 3.270 3.335 -0.065 2
1 119 . 1 1 A 11 11 ILE CA C 11 65.600 64.931 0.669 2
1 120 . 1 1 A 11 11 ILE CB C 11 38.200 37.753 0.447 2
1 124 . 1 1 A 11 11 ILE N N 11 123.900 121.003 2.897 2
1 125 . 1 1 A 12 12 LYS H H 12 7.910 8.275 -0.365 2
1 126 . 1 1 A 12 12 LYS HA H 12 3.870 3.979 -0.109 2
1 135 . 1 1 A 12 12 LYS CA C 12 59.900 59.213 0.687 2
1 136 . 1 1 A 12 12 LYS CB C 12 32.600 32.141 0.459 2
1 140 . 1 1 A 12 12 LYS N N 12 120.600 119.671 0.929 2
1 141 . 1 1 A 13 13 ALA H H 13 7.790 7.851 -0.061 2
1 142 . 1 1 A 13 13 ALA HA H 13 4.100 3.984 0.116 2
1 146 . 1 1 A 13 13 ALA CA C 13 53.200 54.061 -0.861 2
1 147 . 1 1 A 13 13 ALA CB C 13 18.200 18.179 0.021 2
1 148 . 1 1 A 13 13 ALA N N 13 118.100 120.620 -2.520 2
1 149 . 1 1 A 14 14 HIS H H 14 7.160 7.240 -0.080 2
1 150 . 1 1 A 14 14 HIS HA H 14 3.990 4.299 -0.309 2
1 155 . 1 1 A 14 14 HIS CA C 14 56.500 55.024 1.476 2
1 156 . 1 1 A 14 14 HIS CB C 14 27.000 29.312 -2.312 2
1 159 . 1 1 A 14 14 HIS N N 14 113.200 115.719 -2.518 2
1 160 . 1 1 A 15 15 ARG H H 15 7.420 7.775 -0.355 2
1 161 . 1 1 A 15 15 ARG HA H 15 3.760 3.888 -0.128 2
1 168 . 1 1 A 15 15 ARG CA C 15 59.800 58.590 1.210 2
1 169 . 1 1 A 15 15 ARG CB C 15 29.800 29.643 0.157 2
1 172 . 1 1 A 15 15 ARG N N 15 121.100 119.669 1.431 2
1 173 . 1 1 A 16 16 SER H H 16 8.540 7.863 0.677 2
1 174 . 1 1 A 16 16 SER HA H 16 4.230 4.170 0.060 2
1 177 . 1 1 A 16 16 SER CA C 16 60.800 61.475 -0.675 2
1 178 . 1 1 A 16 16 SER CB C 16 62.200 62.963 -0.763 2
1 179 . 1 1 A 16 16 SER N N 16 114.100 117.369 -3.269 2
1 180 . 1 1 A 17 17 SER H H 17 7.680 7.656 0.024 2
1 181 . 1 1 A 17 17 SER HA H 17 4.370 4.283 0.087 2
1 184 . 1 1 A 17 17 SER CA C 17 59.800 60.589 -0.789 2
1 185 . 1 1 A 17 17 SER CB C 17 63.100 63.172 -0.072 2
1 186 . 1 1 A 17 17 SER N N 17 116.700 116.176 0.524 2
1 187 . 1 1 A 18 18 TRP H H 18 7.640 7.562 0.078 2
1 188 . 1 1 A 18 18 TRP HA H 18 4.990 4.810 0.180 2
1 197 . 1 1 A 18 18 TRP CA C 18 55.200 56.398 -1.198 2
1 198 . 1 1 A 18 18 TRP CB C 18 29.500 28.754 0.746 2
1 204 . 1 1 A 18 18 TRP N N 18 121.200 119.498 1.702 2
1 206 . 1 1 A 19 19 LYS H H 19 7.920 7.877 0.043 2
1 207 . 1 1 A 19 19 LYS HA H 19 4.180 4.438 -0.258 2
1 216 . 1 1 A 19 19 LYS CA C 19 58.100 56.805 1.295 2
1 217 . 1 1 A 19 19 LYS CB C 19 32.200 32.610 -0.410 2
1 221 . 1 1 A 19 19 LYS N N 19 121.100 119.812 1.287 2
1 222 . 1 1 A 20 20 ASN H H 20 8.630 8.806 -0.176 2
1 223 . 1 1 A 20 20 ASN HA H 20 4.760 4.737 0.023 2
1 228 . 1 1 A 20 20 ASN CA C 20 53.600 53.409 0.191 2
1 229 . 1 1 A 20 20 ASN CB C 20 38.200 38.213 -0.013 2
1 230 . 1 1 A 20 20 ASN N N 20 116.500 122.236 -5.736 2
1 232 . 1 1 A 21 21 THR H H 21 8.320 8.118 0.201 2
1 233 . 1 1 A 21 21 THR HA H 21 4.470 4.729 -0.259 2
1 238 . 1 1 A 21 21 THR CA C 21 62.500 60.603 1.897 2
1 239 . 1 1 A 21 21 THR CB C 21 70.700 70.932 -0.232 2
1 241 . 1 1 A 21 21 THR N N 21 113.700 114.249 -0.549 2
1 242 . 1 1 A 22 22 LYS H H 22 8.440 8.853 -0.413 2
1 243 . 1 1 A 22 22 LYS HA H 22 4.500 4.346 0.154 2
1 252 . 1 1 A 22 22 LYS CA C 22 56.700 57.564 -0.864 2
1 253 . 1 1 A 22 22 LYS CB C 22 31.700 32.028 -0.328 2
1 257 . 1 1 A 22 22 LYS N N 22 120.900 120.665 0.235 2
1 258 . 1 1 A 23 23 HIS H H 23 8.110 7.916 0.194 2
1 259 . 1 1 A 23 23 HIS HA H 23 4.450 4.322 0.128 2
1 264 . 1 1 A 23 23 HIS CA C 23 57.300 59.360 -2.060 2
1 265 . 1 1 A 23 23 HIS CB C 23 27.900 29.230 -1.330 2
1 268 . 1 1 A 23 23 HIS N N 23 116.800 118.757 -1.957 2
1 269 . 1 1 A 24 24 ALA H H 24 8.490 8.199 0.291 2
1 270 . 1 1 A 24 24 ALA HA H 24 4.000 3.873 0.127 2
1 274 . 1 1 A 24 24 ALA CA C 24 55.700 55.179 0.521 2
1 275 . 1 1 A 24 24 ALA CB C 24 18.000 18.208 -0.208 2
1 276 . 1 1 A 24 24 ALA N N 24 121.700 122.343 -0.643 2
1 277 . 1 1 A 25 25 ASP H H 25 8.370 8.224 0.146 2
1 278 . 1 1 A 25 25 ASP HA H 25 4.450 4.382 0.068 2
1 281 . 1 1 A 25 25 ASP CA C 25 56.800 57.620 -0.820 2
1 282 . 1 1 A 25 25 ASP CB C 25 40.200 41.388 -1.188 2
1 283 . 1 1 A 25 25 ASP N N 25 119.100 118.605 0.495 2
1 284 . 1 1 A 26 26 GLN H H 26 8.020 8.395 -0.375 2
1 285 . 1 1 A 26 26 GLN HA H 26 4.250 4.045 0.205 2
1 292 . 1 1 A 26 26 GLN CA C 26 58.600 59.178 -0.578 2
1 293 . 1 1 A 26 26 GLN CB C 26 28.500 28.200 0.300 2
1 295 . 1 1 A 26 26 GLN N N 26 119.500 117.463 2.037 2
1 297 . 1 1 A 27 27 TRP H H 27 8.610 8.287 0.323 2
1 298 . 1 1 A 27 27 TRP HA H 27 3.840 4.459 -0.619 2
1 307 . 1 1 A 27 27 TRP CA C 27 62.400 59.754 2.646 2
1 308 . 1 1 A 27 27 TRP CB C 27 28.300 29.411 -1.111 2
1 314 . 1 1 A 27 27 TRP N N 27 122.000 121.219 0.781 2
1 316 . 1 1 A 28 28 THR H H 28 8.460 8.191 0.269 2
1 317 . 1 1 A 28 28 THR HA H 28 3.790 4.099 -0.309 2
1 322 . 1 1 A 28 28 THR CA C 28 67.000 67.287 -0.287 2
1 323 . 1 1 A 28 28 THR CB C 28 68.900 68.490 0.410 2
1 325 . 1 1 A 28 28 THR N N 28 114.800 115.113 -0.313 2
1 326 . 1 1 A 29 29 ASN H H 29 8.650 8.903 -0.253 2
1 327 . 1 1 A 29 29 ASN HA H 29 4.530 4.424 0.106 2
1 332 . 1 1 A 29 29 ASN CA C 29 56.600 56.481 0.119 2
1 333 . 1 1 A 29 29 ASN CB C 29 38.400 38.958 -0.558 2
1 334 . 1 1 A 29 29 ASN N N 29 118.500 119.407 -0.907 2
1 336 . 1 1 A 30 30 THR H H 30 8.170 8.027 0.143 2
1 337 . 1 1 A 30 30 THR HA H 30 4.160 4.087 0.073 2
1 342 . 1 1 A 30 30 THR CA C 30 66.100 66.735 -0.635 2
1 343 . 1 1 A 30 30 THR CB C 30 69.300 68.356 0.944 2
1 345 . 1 1 A 30 30 THR N N 30 113.100 114.928 -1.828 2
1 346 . 1 1 A 31 31 ILE H H 31 8.030 7.721 0.309 2
1 347 . 1 1 A 31 31 ILE HA H 31 3.850 3.687 0.163 2
1 357 . 1 1 A 31 31 ILE CA C 31 65.200 65.538 -0.338 2
1 358 . 1 1 A 31 31 ILE CB C 31 36.300 37.681 -1.381 2
1 362 . 1 1 A 31 31 ILE N N 31 122.000 122.418 -0.418 2
1 363 . 1 1 A 32 32 LYS H H 32 8.320 8.541 -0.221 2
1 364 . 1 1 A 32 32 LYS HA H 32 4.090 4.049 0.041 2
1 373 . 1 1 A 32 32 LYS CA C 32 60.500 59.529 0.971 2
1 374 . 1 1 A 32 32 LYS CB C 32 32.500 32.132 0.368 2
1 378 . 1 1 A 32 32 LYS N N 32 121.300 121.482 -0.182 2
1 379 . 1 1 A 33 33 THR H H 33 8.160 7.564 0.597 2
1 380 . 1 1 A 33 33 THR HA H 33 3.690 3.941 -0.251 2
1 385 . 1 1 A 33 33 THR CA C 33 66.500 66.284 0.216 2
1 386 . 1 1 A 33 33 THR CB C 33 69.200 69.006 0.194 2
1 388 . 1 1 A 33 33 THR N N 33 113.400 116.309 -2.909 2
1 389 . 1 1 A 34 34 TYR H H 34 7.640 8.150 -0.510 2
1 390 . 1 1 A 34 34 TYR HA H 34 4.670 4.352 0.318 2
1 397 . 1 1 A 34 34 TYR CA C 34 59.800 60.466 -0.666 2
1 398 . 1 1 A 34 34 TYR CB C 34 39.800 38.956 0.844 2
1 401 . 1 1 A 34 34 TYR N N 34 113.700 118.885 -5.185 2
1 402 . 1 1 A 35 35 CYS H H 35 8.170 8.307 -0.137 2
1 403 . 1 1 A 35 35 CYS HA H 35 4.470 4.396 0.074 2
1 406 . 1 1 A 35 35 CYS CA C 35 60.700 61.838 -1.138 2
1 407 . 1 1 A 35 35 CYS CB C 35 27.700 27.799 -0.099 2
1 408 . 1 1 A 35 35 CYS N N 35 113.100 118.371 -5.271 2
1 409 . 1 1 A 36 36 GLY H H 36 8.110 8.186 -0.076 2
1 410 . 1 1 A 36 36 GLY HA2 H 36 3.880 3.814 0.066 2
1 411 . 1 1 A 36 36 GLY HA3 H 36 4.480 3.856 0.624 2
1 412 . 1 1 A 36 36 GLY CA C 36 49.400 48.279 1.121 2
1 413 . 1 1 A 36 36 GLY N N 36 110.800 109.786 1.014 2
1 414 . 1 1 A 37 37 PRO HA H 37 4.470 4.353 0.117 2
1 421 . 1 1 A 37 37 PRO CA C 37 64.400 64.966 -0.566 2
1 422 . 1 1 A 37 37 PRO CB C 37 32.700 31.399 1.301 2
1 425 . 1 1 A 38 38 VAL H H 38 7.270 7.604 -0.334 2
1 426 . 1 1 A 38 38 VAL HA H 38 4.190 3.983 0.207 2
1 434 . 1 1 A 38 38 VAL CA C 38 63.600 63.660 -0.060 2
1 435 . 1 1 A 38 38 VAL CB C 38 34.800 32.246 2.554 2
1 438 . 1 1 A 38 38 VAL N N 38 113.900 115.717 -1.817 2
1 439 . 1 1 A 39 39 ILE H H 39 7.590 7.835 -0.245 2
1 440 . 1 1 A 39 39 ILE HA H 39 4.590 4.291 0.299 2
1 450 . 1 1 A 39 39 ILE CA C 39 60.500 61.007 -0.507 2
1 451 . 1 1 A 39 39 ILE CB C 39 39.500 37.961 1.539 2
1 455 . 1 1 A 39 39 ILE N N 39 107.400 115.189 -7.789 2
1 456 . 1 1 A 40 40 GLY H H 40 7.670 8.007 -0.337 2
1 457 . 1 1 A 40 40 GLY HA2 H 40 4.040 3.875 0.165 2
1 458 . 1 1 A 40 40 GLY HA3 H 40 4.430 4.010 0.420 2
1 459 . 1 1 A 40 40 GLY CA C 40 49.400 48.258 1.142 2
1 460 . 1 1 A 40 40 GLY N N 40 109.200 112.440 -3.240 2
1 461 . 1 1 A 41 41 PRO HA H 41 4.770 4.508 0.262 2
1 468 . 1 1 A 41 41 PRO CA C 41 63.200 63.962 -0.762 2
1 469 . 1 1 A 41 41 PRO CB C 41 31.800 31.966 -0.166 2
1 472 . 1 1 A 42 42 LEU H H 42 7.540 7.509 0.031 2
1 473 . 1 1 A 42 42 LEU HA H 42 4.320 4.423 -0.102 2
1 483 . 1 1 A 42 42 LEU CA C 42 54.000 54.211 -0.211 2
1 484 . 1 1 A 42 42 LEU CB C 42 42.000 42.859 -0.859 2
1 488 . 1 1 A 42 42 LEU N N 42 119.600 120.480 -0.880 2
1 489 . 1 1 A 43 43 SER H H 43 8.880 8.645 0.236 2
1 490 . 1 1 A 43 43 SER HA H 43 4.510 4.766 -0.257 2
1 493 . 1 1 A 43 43 SER CA C 43 58.600 59.104 -0.504 2
1 494 . 1 1 A 43 43 SER CB C 43 63.000 63.563 -0.563 2
1 495 . 1 1 A 43 43 SER N N 43 116.100 117.310 -1.210 2
1 496 . 1 1 A 44 44 VAL H H 44 9.020 8.700 0.320 2
1 497 . 1 1 A 44 44 VAL HA H 44 3.920 4.145 -0.225 2
1 505 . 1 1 A 44 44 VAL CA C 44 65.900 64.781 1.119 2
1 506 . 1 1 A 44 44 VAL CB C 44 32.100 31.981 0.119 2
1 509 . 1 1 A 44 44 VAL N N 44 124.400 126.710 -2.310 2
1 510 . 1 1 A 45 45 GLN H H 45 8.700 7.951 0.749 2
1 511 . 1 1 A 45 45 GLN HA H 45 4.170 4.132 0.038 2
1 518 . 1 1 A 45 45 GLN CA C 45 57.400 58.458 -1.058 2
1 519 . 1 1 A 45 45 GLN CB C 45 29.000 28.442 0.558 2
1 521 . 1 1 A 45 45 GLN N N 45 120.500 120.759 -0.259 2
1 523 . 1 1 A 46 46 ASP H H 46 7.870 7.882 -0.012 2
1 524 . 1 1 A 46 46 ASP HA H 46 4.720 4.645 0.075 2
1 527 . 1 1 A 46 46 ASP CA C 46 54.400 55.188 -0.788 2
1 528 . 1 1 A 46 46 ASP CB C 46 40.800 41.307 -0.507 2
1 529 . 1 1 A 46 46 ASP N N 46 117.200 118.334 -1.134 2
1 530 . 1 1 A 47 47 VAL H H 47 6.970 7.266 -0.296 2
1 531 . 1 1 A 47 47 VAL HA H 47 3.490 3.898 -0.408 2
1 539 . 1 1 A 47 47 VAL CA C 47 65.200 62.907 2.293 2
1 540 . 1 1 A 47 47 VAL CB C 47 31.100 31.564 -0.464 2
1 543 . 1 1 A 47 47 VAL N N 47 118.500 120.991 -2.491 2
1 544 . 1 1 A 48 48 ASP H H 48 7.220 8.443 -1.223 2
1 545 . 1 1 A 48 48 ASP HA H 48 4.910 4.958 -0.048 2
1 548 . 1 1 A 48 48 ASP CA C 48 51.600 52.397 -0.797 2
1 549 . 1 1 A 48 48 ASP CB C 48 42.700 43.263 -0.563 2
1 550 . 1 1 A 48 48 ASP N N 48 128.000 128.337 -0.337 2
1 551 . 1 1 A 49 49 THR H H 49 8.490 8.786 -0.296 2
1 552 . 1 1 A 49 49 THR HA H 49 3.770 3.767 0.003 2
1 557 . 1 1 A 49 49 THR CA C 49 67.300 66.329 0.971 2
1 558 . 1 1 A 49 49 THR CB C 49 68.900 68.655 0.245 2
1 560 . 1 1 A 49 49 THR N N 49 115.800 116.967 -1.167 2
1 561 . 1 1 A 50 50 LYS H H 50 7.860 8.236 -0.376 2
1 562 . 1 1 A 50 50 LYS HA H 50 3.860 4.082 -0.222 2
1 571 . 1 1 A 50 50 LYS CA C 50 60.000 59.534 0.466 2
1 572 . 1 1 A 50 50 LYS CB C 50 31.600 31.802 -0.202 2
1 576 . 1 1 A 50 50 LYS N N 50 120.500 121.092 -0.592 2
1 577 . 1 1 A 51 51 LEU H H 51 8.190 8.072 0.118 2
1 578 . 1 1 A 51 51 LEU HA H 51 4.050 4.036 0.014 2
1 588 . 1 1 A 51 51 LEU CA C 51 57.600 58.101 -0.501 2
1 589 . 1 1 A 51 51 LEU CB C 51 42.400 41.578 0.822 2
1 593 . 1 1 A 51 51 LEU N N 51 120.600 119.220 1.380 2
1 594 . 1 1 A 52 52 ILE H H 52 7.850 7.967 -0.117 2
1 595 . 1 1 A 52 52 ILE HA H 52 3.440 3.535 -0.095 2
1 605 . 1 1 A 52 52 ILE CA C 52 65.200 64.860 0.340 2
1 606 . 1 1 A 52 52 ILE CB C 52 36.700 37.296 -0.596 2
1 610 . 1 1 A 52 52 ILE N N 52 118.600 120.080 -1.480 2
1 611 . 1 1 A 53 53 MET H H 53 8.540 8.356 0.184 2
1 612 . 1 1 A 53 53 MET HA H 53 4.040 4.179 -0.139 2
1 620 . 1 1 A 53 53 MET CA C 53 59.000 59.275 -0.275 2
1 621 . 1 1 A 53 53 MET CB C 53 31.300 32.775 -1.475 2
1 624 . 1 1 A 53 53 MET N N 53 118.600 118.619 -0.019 2
1 625 . 1 1 A 54 54 LYS H H 54 7.620 7.749 -0.129 2
1 626 . 1 1 A 54 54 LYS HA H 54 4.140 4.116 0.024 2
1 635 . 1 1 A 54 54 LYS CA C 54 59.200 59.000 0.200 2
1 636 . 1 1 A 54 54 LYS CB C 54 32.300 32.590 -0.290 2
1 640 . 1 1 A 54 54 LYS N N 54 119.100 119.268 -0.168 2
1 641 . 1 1 A 55 55 VAL H H 55 7.560 7.488 0.072 2
1 642 . 1 1 A 55 55 VAL HA H 55 3.670 3.618 0.052 2
1 650 . 1 1 A 55 55 VAL CA C 55 65.600 66.080 -0.480 2
1 651 . 1 1 A 55 55 VAL CB C 55 31.900 31.677 0.223 2
1 654 . 1 1 A 55 55 VAL N N 55 117.200 119.680 -2.480 2
1 655 . 1 1 A 56 56 LEU H H 56 7.790 8.058 -0.268 2
1 656 . 1 1 A 56 56 LEU HA H 56 3.900 3.854 0.046 2
1 666 . 1 1 A 56 56 LEU CA C 56 56.400 57.273 -0.873 2
1 667 . 1 1 A 56 56 LEU CB C 56 42.700 41.592 1.108 2
1 671 . 1 1 A 56 56 LEU N N 56 114.400 118.711 -4.311 2
1 672 . 1 1 A 57 57 ASP H H 57 8.850 8.242 0.608 2
1 673 . 1 1 A 57 57 ASP HA H 57 4.140 4.652 -0.512 2
1 676 . 1 1 A 57 57 ASP CA C 57 59.100 59.386 -0.286 2
1 677 . 1 1 A 57 57 ASP CB C 57 38.200 38.294 -0.093 2
1 678 . 1 1 A 57 57 ASP N N 57 120.500 121.168 -0.668 2
1 679 . 1 1 A 58 58 PRO HA H 58 4.520 4.442 0.078 2
1 686 . 1 1 A 58 58 PRO CA C 58 65.300 65.075 0.225 2
1 687 . 1 1 A 58 58 PRO CB C 58 31.700 31.289 0.411 2
1 690 . 1 1 A 59 59 ILE H H 59 7.400 7.404 -0.004 2
1 691 . 1 1 A 59 59 ILE HA H 59 4.060 3.837 0.223 2
1 701 . 1 1 A 59 59 ILE CA C 59 62.300 63.709 -1.409 2
1 702 . 1 1 A 59 59 ILE CB C 59 39.300 36.673 2.627 2
1 706 . 1 1 A 59 59 ILE N N 59 113.300 116.353 -3.053 2
1 707 . 1 1 A 60 60 TRP H H 60 8.000 7.877 0.123 2
1 708 . 1 1 A 60 60 TRP HA H 60 3.830 4.408 -0.578 2
1 717 . 1 1 A 60 60 TRP CA C 60 61.300 59.909 1.391 2
1 718 . 1 1 A 60 60 TRP CB C 60 29.700 29.309 0.391 2
1 724 . 1 1 A 60 60 TRP N N 60 120.900 121.208 -0.308 2
1 726 . 1 1 A 61 61 GLU H H 61 7.840 8.284 -0.444 2
1 727 . 1 1 A 61 61 GLU HA H 61 4.110 4.203 -0.093 2
1 732 . 1 1 A 61 61 GLU CA C 61 58.100 59.244 -1.144 2
1 733 . 1 1 A 61 61 GLU CB C 61 29.500 29.607 -0.107 2
1 735 . 1 1 A 61 61 GLU N N 61 112.300 120.133 -7.833 2
1 736 . 1 1 A 62 62 GLN H H 62 7.710 7.745 -0.035 2
1 737 . 1 1 A 62 62 GLN HA H 62 4.400 4.376 0.024 2
1 744 . 1 1 A 62 62 GLN CA C 62 57.200 57.467 -0.267 2
1 745 . 1 1 A 62 62 GLN CB C 62 30.800 30.055 0.745 2
1 747 . 1 1 A 62 62 GLN N N 62 115.200 117.418 -2.218 2
1 749 . 1 1 A 63 63 LYS H H 63 8.500 8.170 0.330 2
1 750 . 1 1 A 63 63 LYS HA H 63 4.860 4.759 0.101 2
1 759 . 1 1 A 63 63 LYS CA C 63 53.300 53.756 -0.456 2
1 760 . 1 1 A 63 63 LYS CB C 63 33.800 32.876 0.924 2
1 764 . 1 1 A 63 63 LYS N N 63 117.800 118.660 -0.860 2
1 765 . 1 1 A 64 64 PRO HA H 64 4.110 4.333 -0.223 2
1 772 . 1 1 A 64 64 PRO CA C 64 66.000 65.520 0.480 2
1 773 . 1 1 A 64 64 PRO CB C 64 31.500 31.964 -0.464 2
1 776 . 1 1 A 65 65 GLU H H 65 8.680 8.430 0.250 2
1 777 . 1 1 A 65 65 GLU HA H 65 4.120 4.082 0.038 2
1 782 . 1 1 A 65 65 GLU CA C 65 59.300 59.557 -0.257 2
1 783 . 1 1 A 65 65 GLU CB C 65 28.500 29.250 -0.750 2
1 785 . 1 1 A 65 65 GLU N N 65 117.800 118.367 -0.567 2
1 786 . 1 1 A 66 66 THR H H 66 7.370 7.944 -0.574 2
1 787 . 1 1 A 66 66 THR HA H 66 3.820 3.742 0.078 2
1 792 . 1 1 A 66 66 THR CA C 66 66.200 66.353 -0.153 2
1 793 . 1 1 A 66 66 THR CB C 66 68.200 68.436 -0.236 2
1 795 . 1 1 A 66 66 THR N N 66 117.800 117.327 0.473 2
1 796 . 1 1 A 67 67 ALA H H 67 7.890 8.101 -0.211 2
1 797 . 1 1 A 67 67 ALA HA H 67 3.380 3.589 -0.209 2
1 801 . 1 1 A 67 67 ALA CA C 67 55.200 54.927 0.273 2
1 802 . 1 1 A 67 67 ALA CB C 67 17.400 17.220 0.180 2
1 803 . 1 1 A 67 67 ALA N N 67 123.900 123.902 -0.002 2
1 804 . 1 1 A 68 68 SER H H 68 7.920 7.718 0.202 2
1 805 . 1 1 A 68 68 SER HA H 68 4.070 4.162 -0.092 2
1 808 . 1 1 A 68 68 SER CA C 68 61.200 61.039 0.161 2
1 809 . 1 1 A 68 68 SER CB C 68 62.700 62.880 -0.180 2
1 810 . 1 1 A 68 68 SER N N 68 111.500 113.183 -1.684 2
1 811 . 1 1 A 69 69 ARG H H 69 7.840 7.631 0.209 2
1 812 . 1 1 A 69 69 ARG HA H 69 4.010 4.016 -0.006 2
1 819 . 1 1 A 69 69 ARG CA C 69 58.700 58.758 -0.058 2
1 820 . 1 1 A 69 69 ARG CB C 69 30.000 29.663 0.337 2
1 823 . 1 1 A 69 69 ARG N N 69 121.200 122.006 -0.806 2
1 824 . 1 1 A 70 70 LEU H H 70 8.490 8.341 0.149 2
1 825 . 1 1 A 70 70 LEU HA H 70 3.740 3.918 -0.178 2
1 835 . 1 1 A 70 70 LEU CA C 70 57.500 57.536 -0.036 2
1 836 . 1 1 A 70 70 LEU CB C 70 41.100 41.572 -0.472 2
1 840 . 1 1 A 70 70 LEU N N 70 121.100 121.287 -0.187 2
1 841 . 1 1 A 71 71 ARG H H 71 8.460 8.037 0.423 2
1 842 . 1 1 A 71 71 ARG HA H 71 3.540 3.947 -0.407 2
1 850 . 1 1 A 71 71 ARG CA C 71 60.700 59.540 1.160 2
1 851 . 1 1 A 71 71 ARG CB C 71 28.000 29.852 -1.852 2
1 854 . 1 1 A 71 71 ARG N N 71 119.800 119.181 0.619 2
1 856 . 1 1 A 72 72 GLY H H 72 7.530 8.107 -0.577 2
1 857 . 1 1 A 72 72 GLY HA2 H 72 3.980 3.753 0.227 2
1 858 . 1 1 A 72 72 GLY HA3 H 72 3.870 3.788 0.082 2
1 859 . 1 1 A 72 72 GLY CA C 72 47.100 47.246 -0.146 2
1 860 . 1 1 A 72 72 GLY N N 72 103.400 107.435 -4.035 2
1 861 . 1 1 A 73 73 ARG H H 73 7.800 7.675 0.125 2
1 862 . 1 1 A 73 73 ARG HA H 73 3.930 3.948 -0.018 2
1 869 . 1 1 A 73 73 ARG CA C 73 59.400 59.106 0.294 2
1 870 . 1 1 A 73 73 ARG CB C 73 29.500 29.732 -0.232 2
1 873 . 1 1 A 73 73 ARG N N 73 122.800 121.533 1.267 2
1 874 . 1 1 A 74 74 ILE H H 74 8.420 8.174 0.246 2
1 875 . 1 1 A 74 74 ILE HA H 74 3.440 3.828 -0.388 2
1 885 . 1 1 A 74 74 ILE CA C 74 66.500 65.631 0.869 2
1 886 . 1 1 A 74 74 ILE CB C 74 38.300 37.579 0.721 2
1 890 . 1 1 A 74 74 ILE N N 74 118.800 120.943 -2.143 2
1 891 . 1 1 A 75 75 GLU H H 75 8.620 8.733 -0.113 2
1 892 . 1 1 A 75 75 GLU HA H 75 3.840 4.002 -0.162 2
1 897 . 1 1 A 75 75 GLU CA C 75 59.900 59.848 0.052 2
1 898 . 1 1 A 75 75 GLU CB C 75 29.400 29.573 -0.173 2
1 900 . 1 1 A 75 75 GLU N N 75 119.200 121.829 -2.629 2
1 901 . 1 1 A 76 76 SER H H 76 8.380 7.875 0.505 2
1 902 . 1 1 A 76 76 SER HA H 76 4.460 4.218 0.242 2
1 905 . 1 1 A 76 76 SER CA C 76 62.900 62.427 0.473 2
1 906 . 1 1 A 76 76 SER CB C 76 63.000 63.077 -0.077 2
1 907 . 1 1 A 76 76 SER N N 76 116.000 116.583 -0.583 2
1 908 . 1 1 A 77 77 VAL H H 77 8.190 7.782 0.408 2
1 909 . 1 1 A 77 77 VAL HA H 77 3.290 3.153 0.137 2
1 917 . 1 1 A 77 77 VAL CA C 77 66.800 66.727 0.073 2
1 918 . 1 1 A 77 77 VAL CB C 77 31.400 31.478 -0.078 2
1 921 . 1 1 A 77 77 VAL N N 77 122.800 121.812 0.988 2
1 922 . 1 1 A 78 78 LEU H H 78 8.590 8.599 -0.009 2
1 923 . 1 1 A 78 78 LEU HA H 78 4.270 4.058 0.212 2
1 933 . 1 1 A 78 78 LEU CA C 78 57.800 58.201 -0.401 2
1 934 . 1 1 A 78 78 LEU CB C 78 40.900 40.899 0.001 2
1 938 . 1 1 A 78 78 LEU N N 78 116.900 118.887 -1.987 2
1 939 . 1 1 A 79 79 ASP H H 79 8.790 8.481 0.309 2
1 940 . 1 1 A 79 79 ASP HA H 79 4.730 4.350 0.380 2
1 943 . 1 1 A 79 79 ASP CA C 79 57.900 57.354 0.546 2
1 944 . 1 1 A 79 79 ASP CB C 79 40.400 41.299 -0.899 2
1 945 . 1 1 A 79 79 ASP N N 79 123.800 119.009 4.791 2
1 946 . 1 1 A 80 80 TRP H H 80 8.210 8.203 0.007 2
1 947 . 1 1 A 80 80 TRP HA H 80 4.380 4.340 0.040 2
1 956 . 1 1 A 80 80 TRP CA C 80 61.600 61.341 0.259 2
1 957 . 1 1 A 80 80 TRP CB C 80 29.100 29.440 -0.340 2
1 963 . 1 1 A 80 80 TRP N N 80 123.700 121.928 1.772 2
1 965 . 1 1 A 81 81 ALA H H 81 8.980 8.551 0.429 2
1 966 . 1 1 A 81 81 ALA HA H 81 3.850 3.970 -0.120 2
1 970 . 1 1 A 81 81 ALA CA C 81 54.500 55.240 -0.740 2
1 971 . 1 1 A 81 81 ALA CB C 81 19.600 18.147 1.453 2
1 972 . 1 1 A 81 81 ALA N N 81 118.400 121.215 -2.815 2
1 973 . 1 1 A 82 82 THR H H 82 7.990 7.902 0.088 2
1 974 . 1 1 A 82 82 THR HA H 82 4.310 4.200 0.110 2
1 979 . 1 1 A 82 82 THR CA C 82 65.800 66.780 -0.980 2
1 980 . 1 1 A 82 82 THR CB C 82 68.800 68.110 0.690 2
1 982 . 1 1 A 82 82 THR N N 82 116.400 114.909 1.491 2
1 983 . 1 1 A 83 83 VAL H H 83 7.970 7.950 0.020 2
1 984 . 1 1 A 83 83 VAL HA H 83 3.720 3.490 0.230 2
1 992 . 1 1 A 83 83 VAL CA C 83 65.900 66.829 -0.929 2
1 993 . 1 1 A 83 83 VAL CB C 83 31.400 31.363 0.037 2
1 996 . 1 1 A 83 83 VAL N N 83 123.700 121.449 2.251 2
1 997 . 1 1 A 84 84 ARG H H 84 7.300 7.535 -0.235 2
1 998 . 1 1 A 84 84 ARG HA H 84 3.740 3.917 -0.177 2
1 1005 . 1 1 A 84 84 ARG CA C 84 55.300 55.807 -0.507 2
1 1006 . 1 1 A 84 84 ARG CB C 84 29.400 29.876 -0.476 2
1 1009 . 1 1 A 84 84 ARG N N 84 115.400 118.149 -2.749 2
1 1010 . 1 1 A 85 85 GLY H H 85 7.510 7.465 0.045 2
1 1011 . 1 1 A 85 85 GLY HA2 H 85 4.010 3.800 0.210 2
1 1012 . 1 1 A 85 85 GLY HA3 H 85 3.830 3.870 -0.040 2
1 1013 . 1 1 A 85 85 GLY CA C 85 45.400 45.617 -0.217 2
1 1014 . 1 1 A 85 85 GLY N N 85 105.600 107.437 -1.837 2
1 1015 . 1 1 A 86 86 TYR H H 86 8.120 8.258 -0.138 2
1 1016 . 1 1 A 86 86 TYR HA H 86 4.740 4.460 0.280 2
1 1023 . 1 1 A 86 86 TYR CA C 86 55.800 59.356 -3.556 2
1 1024 . 1 1 A 86 86 TYR CB C 86 38.000 39.092 -1.092 2
1 1027 . 1 1 A 86 86 TYR N N 86 118.700 118.713 -0.013 2
1 1028 . 1 1 A 87 87 ARG H H 87 7.500 7.638 -0.138 2
1 1029 . 1 1 A 87 87 ARG HA H 87 4.710 4.697 0.013 2
1 1037 . 1 1 A 87 87 ARG CA C 87 54.100 54.784 -0.684 2
1 1038 . 1 1 A 87 87 ARG CB C 87 31.900 32.989 -1.089 2
1 1041 . 1 1 A 87 87 ARG N N 87 111.200 116.102 -4.902 2
1 1043 . 1 1 A 88 88 GLU H H 88 9.190 8.604 0.585 2
1 1044 . 1 1 A 88 88 GLU HA H 88 4.760 4.666 0.094 2
1 1049 . 1 1 A 88 88 GLU CA C 88 54.800 55.632 -0.832 2
1 1050 . 1 1 A 88 88 GLU CB C 88 32.500 31.670 0.830 2
1 1052 . 1 1 A 88 88 GLU N N 88 118.800 119.728 -0.928 2
1 1053 . 1 1 A 89 89 GLY H H 89 8.580 8.458 0.122 2
1 1054 . 1 1 A 89 89 GLY HA2 H 89 3.850 3.985 -0.135 2
1 1055 . 1 1 A 89 89 GLY HA3 H 89 4.500 3.987 0.513 2
1 1056 . 1 1 A 89 89 GLY CA C 89 43.700 45.360 -1.660 2
1 1057 . 1 1 A 89 89 GLY N N 89 107.900 109.343 -1.443 2
1 1058 . 1 1 A 90 90 ASP H H 90 8.630 8.433 0.197 2
1 1059 . 1 1 A 90 90 ASP HA H 90 4.480 5.030 -0.550 2
1 1062 . 1 1 A 90 90 ASP CA C 90 54.600 53.357 1.243 2
1 1063 . 1 1 A 90 90 ASP CB C 90 40.500 43.245 -2.745 2
1 1064 . 1 1 A 90 90 ASP N N 90 120.700 122.089 -1.389 2
1 1065 . 1 1 A 91 91 ASN H H 91 8.930 8.659 0.271 2
1 1066 . 1 1 A 91 91 ASN HA H 91 4.580 5.167 -0.587 2
1 1071 . 1 1 A 91 91 ASN CA C 91 51.100 50.289 0.811 2
1 1072 . 1 1 A 91 91 ASN CB C 91 39.100 39.576 -0.476 2
1 1073 . 1 1 A 91 91 ASN N N 91 122.700 121.165 1.535 2
1 1075 . 1 1 A 92 92 PRO HA H 92 4.490 4.288 0.202 2
1 1082 . 1 1 A 92 92 PRO CA C 92 63.500 63.885 -0.385 2
1 1083 . 1 1 A 92 92 PRO CB C 92 32.300 31.891 0.409 2
1 1086 . 1 1 A 93 93 ALA H H 93 8.610 8.017 0.593 2
1 1087 . 1 1 A 93 93 ALA HA H 93 4.450 3.984 0.466 2
1 1091 . 1 1 A 93 93 ALA CA C 93 52.000 52.838 -0.838 2
1 1092 . 1 1 A 93 93 ALA CB C 93 18.100 19.163 -1.063 2
1 1093 . 1 1 A 93 93 ALA N N 93 120.500 119.400 1.100 2
1 1094 . 1 1 A 94 94 ARG H H 94 7.280 7.557 -0.277 2
1 1095 . 1 1 A 94 94 ARG HA H 94 3.830 4.493 -0.663 2
1 1102 . 1 1 A 94 94 ARG CA C 94 55.500 56.574 -1.074 2
1 1103 . 1 1 A 94 94 ARG CB C 94 30.500 31.185 -0.685 2
1 1106 . 1 1 A 94 94 ARG N N 94 118.100 117.555 0.545 2
1 1107 . 1 1 A 95 95 TRP H H 95 7.310 8.490 -1.180 2
1 1108 . 1 1 A 95 95 TRP HA H 95 4.610 4.974 -0.364 2
1 1117 . 1 1 A 95 95 TRP CA C 95 55.200 57.065 -1.865 2
1 1118 . 1 1 A 95 95 TRP CB C 95 29.500 30.809 -1.309 2
1 1124 . 1 1 A 95 95 TRP N N 95 121.200 122.355 -1.155 2
1 1126 . 1 1 A 96 96 ARG H H 96 8.380 8.913 -0.533 2
1 1127 . 1 1 A 96 96 ARG HA H 96 4.140 4.463 -0.323 2
1 1134 . 1 1 A 96 96 ARG CA C 96 57.200 56.919 0.281 2
1 1135 . 1 1 A 96 96 ARG CB C 96 29.900 30.975 -1.075 2
1 1138 . 1 1 A 96 96 ARG N N 96 122.100 122.878 -0.778 2
1 1139 . 1 1 A 97 97 GLY H H 97 7.920 7.954 -0.034 2
1 1140 . 1 1 A 97 97 GLY HA2 H 97 3.710 4.119 -0.409 2
1 1141 . 1 1 A 97 97 GLY HA3 H 97 3.630 4.168 -0.538 2
1 1142 . 1 1 A 97 97 GLY CA C 97 45.700 45.621 0.079 2
1 1143 . 1 1 A 97 97 GLY N N 97 110.500 106.975 3.525 2
1 1144 . 1 1 A 98 98 TYR H H 98 7.770 8.422 -0.652 2
1 1145 . 1 1 A 98 98 TYR HA H 98 4.090 4.198 -0.108 2
1 1152 . 1 1 A 98 98 TYR CA C 98 59.900 59.389 0.511 2
1 1153 . 1 1 A 98 98 TYR CB C 98 37.100 39.044 -1.944 2
1 1156 . 1 1 A 98 98 TYR N N 98 120.400 122.448 -2.048 2
1 1157 . 1 1 A 99 99 LEU H H 99 7.820 7.789 0.031 2
1 1158 . 1 1 A 99 99 LEU HA H 99 3.890 3.932 -0.042 2
1 1168 . 1 1 A 99 99 LEU CA C 99 55.600 56.167 -0.567 2
1 1169 . 1 1 A 99 99 LEU CB C 99 41.600 42.027 -0.427 2
1 1173 . 1 1 A 99 99 LEU N N 99 120.700 120.090 0.610 2
1 1174 . 1 1 A 100 100 GLU H H 100 7.680 7.773 -0.093 2
1 1175 . 1 1 A 100 100 GLU HA H 100 3.900 4.422 -0.522 2
1 1180 . 1 1 A 100 100 GLU CA C 100 56.500 56.226 0.274 2
1 1181 . 1 1 A 100 100 GLU CB C 100 29.500 31.353 -1.853 2
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