data_16072_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16072
_Entry.PDB_ID 2KCD
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 THR HA H 2 4.300 4.136 0.164 1
1 6 . 1 1 1 A 2 2 THR C C 2 174.800 174.821 -0.021 1
1 7 . 1 1 1 A 2 2 THR CA C 2 61.100 63.862 -2.762 1
1 8 . 1 1 1 A 2 2 THR CB C 2 70.400 68.876 1.524 1
1 10 . 1 1 1 A 3 3 LEU H H 3 8.760 8.627 0.133 1
1 11 . 1 1 1 A 3 3 LEU HA H 3 4.110 3.809 0.301 1
1 21 . 1 1 1 A 3 3 LEU C C 3 178.300 178.654 -0.354 1
1 22 . 1 1 1 A 3 3 LEU CA C 3 57.800 58.041 -0.241 1
1 23 . 1 1 1 A 3 3 LEU CB C 3 41.600 41.445 0.155 1
1 27 . 1 1 1 A 3 3 LEU N N 3 123.600 125.604 -2.004 1
1 28 . 1 1 1 A 4 4 GLU H H 4 8.740 8.127 0.613 1
1 29 . 1 1 1 A 4 4 GLU HA H 4 3.670 3.978 -0.308 1
1 34 . 1 1 1 A 4 4 GLU C C 4 177.900 178.430 -0.530 1
1 35 . 1 1 1 A 4 4 GLU CA C 4 60.000 59.111 0.889 1
1 36 . 1 1 1 A 4 4 GLU CB C 4 29.200 29.330 -0.130 1
1 38 . 1 1 1 A 4 4 GLU N N 4 116.500 120.160 -3.660 1
1 39 . 1 1 1 A 5 5 LEU H H 5 7.340 7.989 -0.649 1
1 40 . 1 1 1 A 5 5 LEU HA H 5 3.900 3.779 0.121 1
1 50 . 1 1 1 A 5 5 LEU C C 5 178.900 178.458 0.442 1
1 51 . 1 1 1 A 5 5 LEU CA C 5 56.900 57.452 -0.552 1
1 52 . 1 1 1 A 5 5 LEU CB C 5 41.200 41.413 -0.213 1
1 56 . 1 1 1 A 5 5 LEU N N 5 120.500 120.930 -0.430 1
1 57 . 1 1 1 A 6 6 GLN H H 6 8.350 7.674 0.676 1
1 58 . 1 1 1 A 6 6 GLN HA H 6 3.970 4.065 -0.095 1
1 63 . 1 1 1 A 6 6 GLN C C 6 179.700 178.609 1.091 1
1 64 . 1 1 1 A 6 6 GLN CA C 6 59.100 58.576 0.524 1
1 65 . 1 1 1 A 6 6 GLN CB C 6 29.100 28.068 1.032 1
1 67 . 1 1 1 A 6 6 GLN N N 6 120.800 118.313 2.487 1
1 68 . 1 1 1 A 7 7 LEU H H 7 8.620 7.769 0.851 1
1 69 . 1 1 1 A 7 7 LEU HA H 7 4.010 4.110 -0.100 1
1 79 . 1 1 1 A 7 7 LEU C C 7 176.900 178.359 -1.459 1
1 80 . 1 1 1 A 7 7 LEU CA C 7 57.800 57.863 -0.063 1
1 81 . 1 1 1 A 7 7 LEU CB C 7 41.700 41.730 -0.030 1
1 85 . 1 1 1 A 7 7 LEU N N 7 121.000 121.809 -0.809 1
1 86 . 1 1 1 A 8 8 LYS H H 8 7.750 7.875 -0.125 1
1 87 . 1 1 1 A 8 8 LYS HA H 8 3.570 3.937 -0.367 1
1 96 . 1 1 1 A 8 8 LYS C C 8 179.400 179.290 0.110 1
1 97 . 1 1 1 A 8 8 LYS CA C 8 59.000 58.974 0.026 1
1 98 . 1 1 1 A 8 8 LYS CB C 8 32.400 31.883 0.517 1
1 102 . 1 1 1 A 8 8 LYS N N 8 119.700 119.266 0.434 1
1 103 . 1 1 1 A 9 9 HIS H H 9 8.520 7.930 0.590 1
1 104 . 1 1 1 A 9 9 HIS HA H 9 4.050 4.425 -0.375 1
1 107 . 1 1 1 A 9 9 HIS C C 9 176.500 177.710 -1.210 1
1 108 . 1 1 1 A 9 9 HIS CA C 9 59.400 59.700 -0.300 1
1 109 . 1 1 1 A 9 9 HIS CB C 9 29.900 30.002 -0.102 1
1 110 . 1 1 1 A 9 9 HIS N N 9 120.500 118.118 2.382 1
1 111 . 1 1 1 A 10 10 TYR H H 10 7.990 8.651 -0.661 1
1 112 . 1 1 1 A 10 10 TYR HA H 10 4.160 4.079 0.081 1
1 119 . 1 1 1 A 10 10 TYR C C 10 177.400 177.160 0.240 1
1 120 . 1 1 1 A 10 10 TYR CA C 10 61.800 61.496 0.304 1
1 121 . 1 1 1 A 10 10 TYR CB C 10 39.500 38.708 0.792 1
1 126 . 1 1 1 A 10 10 TYR N N 10 119.200 119.800 -0.600 1
1 127 . 1 1 1 A 11 11 ILE H H 11 8.710 8.414 0.296 1
1 128 . 1 1 1 A 11 11 ILE HA H 11 3.540 3.532 0.008 1
1 138 . 1 1 1 A 11 11 ILE CA C 11 61.600 64.496 -2.896 1
1 139 . 1 1 1 A 11 11 ILE CB C 11 36.200 37.815 -1.615 1
1 143 . 1 1 1 A 11 11 ILE N N 11 118.900 120.776 -1.876 1
1 144 . 1 1 1 A 12 12 THR HA H 12 3.840 4.123 -0.283 1
1 149 . 1 1 1 A 12 12 THR C C 12 176.900 177.580 -0.680 1
1 150 . 1 1 1 A 12 12 THR CA C 12 66.400 66.225 0.175 1
1 151 . 1 1 1 A 12 12 THR CB C 12 68.300 68.287 0.013 1
1 153 . 1 1 1 A 13 13 ASN H H 13 7.440 8.419 -0.979 1
1 154 . 1 1 1 A 13 13 ASN HA H 13 4.420 4.461 -0.041 1
1 159 . 1 1 1 A 13 13 ASN C C 13 176.700 177.746 -1.046 1
1 160 . 1 1 1 A 13 13 ASN CA C 13 55.900 56.182 -0.282 1
1 161 . 1 1 1 A 13 13 ASN CB C 13 38.600 38.000 0.600 1
1 163 . 1 1 1 A 13 13 ASN N N 13 118.300 121.448 -3.148 1
1 165 . 1 1 1 A 14 14 LEU H H 14 7.890 7.578 0.312 1
1 166 . 1 1 1 A 14 14 LEU HA H 14 3.660 3.754 -0.094 1
1 176 . 1 1 1 A 14 14 LEU C C 14 177.900 177.830 0.070 1
1 177 . 1 1 1 A 14 14 LEU CA C 14 57.600 57.750 -0.150 1
1 178 . 1 1 1 A 14 14 LEU CB C 14 42.600 41.428 1.172 1
1 182 . 1 1 1 A 14 14 LEU N N 14 122.100 121.913 0.187 1
1 183 . 1 1 1 A 15 15 PHE H H 15 7.670 7.570 0.100 1
1 184 . 1 1 1 A 15 15 PHE HA H 15 4.490 4.554 -0.064 1
1 191 . 1 1 1 A 15 15 PHE C C 15 173.800 174.808 -1.008 1
1 192 . 1 1 1 A 15 15 PHE CA C 15 57.900 56.998 0.902 1
1 193 . 1 1 1 A 15 15 PHE CB C 15 38.900 39.717 -0.817 1
1 198 . 1 1 1 A 15 15 PHE N N 15 111.800 113.681 -1.881 1
1 199 . 1 1 1 A 16 16 ASN H H 16 7.450 8.245 -0.795 1
1 200 . 1 1 1 A 16 16 ASN HA H 16 4.420 4.308 0.112 1
1 205 . 1 1 1 A 16 16 ASN C C 16 174.200 174.014 0.186 1
1 206 . 1 1 1 A 16 16 ASN CA C 16 54.100 54.128 -0.028 1
1 207 . 1 1 1 A 16 16 ASN CB C 16 36.500 37.311 -0.811 1
1 209 . 1 1 1 A 16 16 ASN N N 16 118.500 118.076 0.424 1
1 211 . 1 1 1 A 17 17 LEU H H 17 8.410 8.043 0.367 1
1 212 . 1 1 1 A 17 17 LEU HA H 17 4.630 4.538 0.092 1
1 222 . 1 1 1 A 17 17 LEU CA C 17 52.300 52.636 -0.336 1
1 223 . 1 1 1 A 17 17 LEU CB C 17 41.000 41.401 -0.401 1
1 227 . 1 1 1 A 17 17 LEU N N 17 118.700 120.009 -1.309 1
1 228 . 1 1 1 A 18 18 PRO HA H 18 4.380 4.484 -0.104 1
1 235 . 1 1 1 A 18 18 PRO C C 18 178.600 177.577 1.023 1
1 236 . 1 1 1 A 18 18 PRO CA C 18 63.100 63.502 -0.402 1
1 237 . 1 1 1 A 18 18 PRO CB C 18 31.800 32.308 -0.508 1
1 240 . 1 1 1 A 19 19 ARG H H 19 8.650 8.743 -0.093 1
1 241 . 1 1 1 A 19 19 ARG HA H 19 3.820 4.239 -0.419 1
1 248 . 1 1 1 A 19 19 ARG C C 19 176.500 176.742 -0.242 1
1 249 . 1 1 1 A 19 19 ARG CA C 19 58.100 57.357 0.743 1
1 250 . 1 1 1 A 19 19 ARG CB C 19 30.300 30.494 -0.194 1
1 253 . 1 1 1 A 19 19 ARG N N 19 124.600 123.091 1.509 1
1 254 . 1 1 1 A 20 20 ASP H H 20 8.390 8.327 0.063 1
1 255 . 1 1 1 A 20 20 ASP HA H 20 4.550 4.582 -0.032 1
1 258 . 1 1 1 A 20 20 ASP C C 20 175.700 175.824 -0.124 1
1 259 . 1 1 1 A 20 20 ASP CA C 20 53.000 53.706 -0.706 1
1 260 . 1 1 1 A 20 20 ASP CB C 20 40.400 39.714 0.686 1
1 261 . 1 1 1 A 20 20 ASP N N 20 114.300 116.672 -2.372 1
1 262 . 1 1 1 A 21 21 GLU H H 21 6.780 7.869 -1.089 1
1 263 . 1 1 1 A 21 21 GLU HA H 21 4.150 4.634 -0.484 1
1 268 . 1 1 1 A 21 21 GLU C C 21 175.400 175.386 0.014 1
1 269 . 1 1 1 A 21 21 GLU CA C 21 56.200 55.923 0.277 1
1 270 . 1 1 1 A 21 21 GLU CB C 21 31.600 30.239 1.361 1
1 272 . 1 1 1 A 21 21 GLU N N 21 121.600 119.953 1.647 1
1 273 . 1 1 1 A 22 22 LYS H H 22 8.860 8.673 0.187 1
1 274 . 1 1 1 A 22 22 LYS HA H 22 4.160 4.264 -0.104 1
1 283 . 1 1 1 A 22 22 LYS C C 22 176.100 175.964 0.136 1
1 284 . 1 1 1 A 22 22 LYS CA C 22 57.200 55.877 1.323 1
1 285 . 1 1 1 A 22 22 LYS CB C 22 33.000 33.390 -0.390 1
1 289 . 1 1 1 A 22 22 LYS N N 22 128.900 126.179 2.721 1
1 290 . 1 1 1 A 23 23 TRP H H 23 8.750 8.606 0.144 1
1 291 . 1 1 1 A 23 23 TRP HA H 23 5.400 5.018 0.382 1
1 300 . 1 1 1 A 23 23 TRP C C 23 176.500 175.697 0.803 1
1 301 . 1 1 1 A 23 23 TRP CA C 23 54.600 56.680 -2.080 1
1 302 . 1 1 1 A 23 23 TRP CB C 23 31.100 32.766 -1.666 1
1 308 . 1 1 1 A 23 23 TRP N N 23 126.100 126.475 -0.375 1
1 310 . 1 1 1 A 24 24 GLU H H 24 9.040 8.240 0.800 1
1 311 . 1 1 1 A 24 24 GLU HA H 24 4.590 4.826 -0.236 1
1 316 . 1 1 1 A 24 24 GLU C C 24 174.100 175.738 -1.638 1
1 317 . 1 1 1 A 24 24 GLU CA C 24 54.200 55.164 -0.964 1
1 318 . 1 1 1 A 24 24 GLU CB C 24 31.600 31.334 0.266 1
1 320 . 1 1 1 A 24 24 GLU N N 24 122.700 120.102 2.598 1
1 321 . 1 1 1 A 25 25 CYS H H 25 8.740 8.713 0.027 1
1 322 . 1 1 1 A 25 25 CYS HA H 25 4.870 4.922 -0.052 1
1 325 . 1 1 1 A 25 25 CYS C C 25 174.400 174.367 0.033 1
1 326 . 1 1 1 A 25 25 CYS CA C 25 57.200 58.348 -1.148 1
1 327 . 1 1 1 A 25 25 CYS CB C 25 30.200 27.560 2.640 1
1 328 . 1 1 1 A 25 25 CYS N N 25 119.900 124.227 -4.327 1
1 329 . 1 1 1 A 26 26 GLU H H 26 9.220 8.594 0.626 1
1 330 . 1 1 1 A 26 26 GLU HA H 26 4.740 5.107 -0.367 1
1 335 . 1 1 1 A 26 26 GLU C C 26 175.000 174.687 0.313 1
1 336 . 1 1 1 A 26 26 GLU CA C 26 55.100 54.749 0.351 1
1 337 . 1 1 1 A 26 26 GLU CB C 26 31.700 33.044 -1.344 1
1 339 . 1 1 1 A 26 26 GLU N N 26 131.200 125.333 5.867 1
1 340 . 1 1 1 A 27 27 SER H H 27 8.900 8.929 -0.029 1
1 341 . 1 1 1 A 27 27 SER HA H 27 5.750 5.208 0.542 1
1 344 . 1 1 1 A 27 27 SER C C 27 173.600 173.421 0.179 1
1 345 . 1 1 1 A 27 27 SER CA C 27 56.700 58.026 -1.326 1
1 346 . 1 1 1 A 27 27 SER CB C 27 64.200 64.075 0.125 1
1 347 . 1 1 1 A 27 27 SER N N 27 125.100 124.438 0.662 1
1 348 . 1 1 1 A 28 28 ILE H H 28 8.540 8.218 0.322 1
1 349 . 1 1 1 A 28 28 ILE HA H 28 4.680 4.812 -0.132 1
1 359 . 1 1 1 A 28 28 ILE C C 28 174.100 174.131 -0.031 1
1 360 . 1 1 1 A 28 28 ILE CA C 28 59.800 59.039 0.761 1
1 361 . 1 1 1 A 28 28 ILE CB C 28 42.700 42.143 0.557 1
1 365 . 1 1 1 A 28 28 ILE N N 28 123.200 125.336 -2.136 1
1 366 . 1 1 1 A 29 29 GLU H H 29 8.430 8.515 -0.085 1
1 367 . 1 1 1 A 29 29 GLU HA H 29 5.430 4.891 0.539 1
1 372 . 1 1 1 A 29 29 GLU C C 29 176.000 176.165 -0.165 1
1 373 . 1 1 1 A 29 29 GLU CA C 29 55.600 55.836 -0.236 1
1 374 . 1 1 1 A 29 29 GLU CB C 29 31.200 30.589 0.611 1
1 376 . 1 1 1 A 29 29 GLU N N 29 123.900 126.865 -2.965 1
1 377 . 1 1 1 A 30 30 GLU H H 30 8.850 8.582 0.268 1
1 378 . 1 1 1 A 30 30 GLU HA H 30 4.730 5.000 -0.270 1
1 383 . 1 1 1 A 30 30 GLU C C 30 174.300 175.674 -1.374 1
1 384 . 1 1 1 A 30 30 GLU CA C 30 54.700 54.381 0.319 1
1 385 . 1 1 1 A 30 30 GLU CB C 30 34.400 33.934 0.466 1
1 387 . 1 1 1 A 30 30 GLU N N 30 121.900 123.763 -1.863 1
1 388 . 1 1 1 A 31 31 VAL H H 31 9.260 8.873 0.387 1
1 389 . 1 1 1 A 31 31 VAL HA H 31 4.250 4.273 -0.023 1
1 397 . 1 1 1 A 31 31 VAL C C 31 177.700 175.687 2.013 1
1 398 . 1 1 1 A 31 31 VAL CA C 31 62.500 62.915 -0.415 1
1 399 . 1 1 1 A 31 31 VAL CB C 31 31.800 32.047 -0.247 1
1 402 . 1 1 1 A 31 31 VAL N N 31 124.500 123.285 1.215 1
1 403 . 1 1 1 A 32 32 ALA H H 32 9.250 8.611 0.639 1
1 404 . 1 1 1 A 32 32 ALA HA H 32 3.710 4.038 -0.328 1
1 408 . 1 1 1 A 32 32 ALA C C 32 178.600 179.480 -0.880 1
1 409 . 1 1 1 A 32 32 ALA CA C 32 55.800 55.683 0.117 1
1 410 . 1 1 1 A 32 32 ALA CB C 32 19.400 18.134 1.266 1
1 411 . 1 1 1 A 32 32 ALA N N 32 129.900 128.667 1.233 1
1 412 . 1 1 1 A 33 33 ASP H H 33 9.510 8.244 1.266 1
1 413 . 1 1 1 A 33 33 ASP HA H 33 4.180 4.392 -0.212 1
1 416 . 1 1 1 A 33 33 ASP C C 33 176.300 177.975 -1.675 1
1 417 . 1 1 1 A 33 33 ASP CA C 33 54.600 57.396 -2.796 1
1 418 . 1 1 1 A 33 33 ASP CB C 33 39.200 41.186 -1.986 1
1 419 . 1 1 1 A 33 33 ASP N N 33 110.700 118.300 -7.600 1
1 420 . 1 1 1 A 34 34 ASP H H 34 7.830 8.101 -0.271 1
1 421 . 1 1 1 A 34 34 ASP HA H 34 4.650 4.419 0.231 1
1 424 . 1 1 1 A 34 34 ASP C C 34 176.300 178.188 -1.888 1
1 425 . 1 1 1 A 34 34 ASP CA C 34 55.100 57.323 -2.223 1
1 426 . 1 1 1 A 34 34 ASP CB C 34 41.000 40.679 0.321 1
1 427 . 1 1 1 A 34 34 ASP N N 34 114.700 118.175 -3.475 1
1 428 . 1 1 1 A 35 35 ILE H H 35 7.290 7.281 0.009 1
1 429 . 1 1 1 A 35 35 ILE HA H 35 4.490 4.001 0.489 1
1 439 . 1 1 1 A 35 35 ILE C C 35 174.100 176.818 -2.718 1
1 440 . 1 1 1 A 35 35 ILE CA C 35 60.700 63.657 -2.957 1
1 441 . 1 1 1 A 35 35 ILE CB C 35 40.600 37.912 2.688 1
1 445 . 1 1 1 A 35 35 ILE N N 35 113.400 116.995 -3.595 1
1 446 . 1 1 1 A 36 36 LEU H H 36 7.730 7.960 -0.230 1
1 447 . 1 1 1 A 36 36 LEU HA H 36 4.800 4.634 0.166 1
1 457 . 1 1 1 A 36 36 LEU CA C 36 52.200 54.056 -1.856 1
1 458 . 1 1 1 A 36 36 LEU CB C 36 42.700 41.193 1.507 1
1 462 . 1 1 1 A 36 36 LEU N N 36 120.400 122.505 -2.105 1
1 463 . 1 1 1 A 37 37 PRO HA H 37 4.440 4.632 -0.192 1
1 470 . 1 1 1 A 37 37 PRO C C 37 177.100 176.922 0.178 1
1 471 . 1 1 1 A 37 37 PRO CA C 37 63.100 62.918 0.182 1
1 472 . 1 1 1 A 37 37 PRO CB C 37 32.700 32.698 0.002 1
1 475 . 1 1 1 A 38 38 ASP H H 38 8.690 8.751 -0.061 1
1 476 . 1 1 1 A 38 38 ASP HA H 38 4.230 4.368 -0.138 1
1 479 . 1 1 1 A 38 38 ASP C C 38 177.800 178.554 -0.754 1
1 480 . 1 1 1 A 38 38 ASP CA C 38 57.900 56.637 1.263 1
1 481 . 1 1 1 A 38 38 ASP CB C 38 42.200 40.354 1.846 1
1 482 . 1 1 1 A 38 38 ASP N N 38 123.800 121.967 1.833 1
1 483 . 1 1 1 A 39 39 GLN H H 39 9.080 8.301 0.779 1
1 484 . 1 1 1 A 39 39 GLN HA H 39 3.990 4.110 -0.120 1
1 491 . 1 1 1 A 39 39 GLN C C 39 176.400 177.243 -0.843 1
1 492 . 1 1 1 A 39 39 GLN CA C 39 58.000 58.651 -0.651 1
1 493 . 1 1 1 A 39 39 GLN CB C 39 27.300 28.283 -0.983 1
1 496 . 1 1 1 A 39 39 GLN N N 39 115.100 120.219 -5.119 1
1 498 . 1 1 1 A 40 40 TYR H H 40 7.510 7.629 -0.119 1
1 499 . 1 1 1 A 40 40 TYR HA H 40 4.730 4.342 0.388 1
1 506 . 1 1 1 A 40 40 TYR C C 40 174.200 176.387 -2.187 1
1 507 . 1 1 1 A 40 40 TYR CA C 40 57.000 59.586 -2.586 1
1 508 . 1 1 1 A 40 40 TYR CB C 40 39.400 38.983 0.417 1
1 513 . 1 1 1 A 40 40 TYR N N 40 116.800 121.238 -4.438 1
1 514 . 1 1 1 A 41 41 VAL H H 41 7.370 7.333 0.037 1
1 515 . 1 1 1 A 41 41 VAL HA H 41 4.000 4.237 -0.237 1
1 523 . 1 1 1 A 41 41 VAL C C 41 175.400 176.387 -0.987 1
1 524 . 1 1 1 A 41 41 VAL CA C 41 62.800 61.098 1.702 1
1 525 . 1 1 1 A 41 41 VAL CB C 41 34.300 32.157 2.143 1
1 528 . 1 1 1 A 41 41 VAL N N 41 116.100 116.830 -0.730 1
1 529 . 1 1 1 A 42 42 ARG H H 42 7.990 7.778 0.212 1
1 530 . 1 1 1 A 42 42 ARG HA H 42 3.970 3.964 0.006 1
1 537 . 1 1 1 A 42 42 ARG C C 42 176.600 177.129 -0.529 1
1 538 . 1 1 1 A 42 42 ARG CA C 42 58.500 58.819 -0.319 1
1 539 . 1 1 1 A 42 42 ARG CB C 42 29.700 30.569 -0.869 1
1 542 . 1 1 1 A 42 42 ARG N N 42 120.900 123.844 -2.944 1
1 543 . 1 1 1 A 43 43 LEU H H 43 8.930 7.572 1.358 1
1 544 . 1 1 1 A 43 43 LEU HA H 43 4.060 4.485 -0.425 1
1 554 . 1 1 1 A 43 43 LEU C C 43 176.200 176.963 -0.763 1
1 555 . 1 1 1 A 43 43 LEU CA C 43 56.100 54.334 1.766 1
1 556 . 1 1 1 A 43 43 LEU CB C 43 40.100 43.383 -3.283 1
1 560 . 1 1 1 A 43 43 LEU N N 43 119.500 113.942 5.558 1
1 561 . 1 1 1 A 44 44 GLY H H 44 7.890 8.130 -0.240 1
1 562 . 1 1 1 A 44 44 GLY HA2 H 44 3.930 3.920 0.010 1
1 563 . 1 1 1 A 44 44 GLY HA3 H 44 4.540 4.008 0.532 1
1 564 . 1 1 1 A 44 44 GLY CA C 44 44.900 44.502 0.398 1
1 565 . 1 1 1 A 44 44 GLY N N 44 107.000 108.835 -1.835 1
1 566 . 1 1 1 A 45 45 PRO HA H 45 4.360 4.341 0.019 1
1 573 . 1 1 1 A 45 45 PRO C C 45 176.900 177.748 -0.848 1
1 574 . 1 1 1 A 45 45 PRO CA C 45 64.400 64.523 -0.123 1
1 575 . 1 1 1 A 45 45 PRO CB C 45 31.900 31.824 0.076 1
1 578 . 1 1 1 A 46 46 LEU H H 46 8.660 7.616 1.044 1
1 579 . 1 1 1 A 46 46 LEU HA H 46 3.970 4.226 -0.256 1
1 589 . 1 1 1 A 46 46 LEU C C 46 176.300 177.411 -1.111 1
1 590 . 1 1 1 A 46 46 LEU CA C 46 55.900 54.968 0.932 1
1 591 . 1 1 1 A 46 46 LEU CB C 46 43.500 41.093 2.407 1
1 595 . 1 1 1 A 46 46 LEU N N 46 117.000 117.891 -0.891 1
1 596 . 1 1 1 A 47 47 SER H H 47 7.160 7.923 -0.763 1
1 597 . 1 1 1 A 47 47 SER HA H 47 4.080 4.216 -0.136 1
1 600 . 1 1 1 A 47 47 SER C C 47 176.600 176.066 0.534 1
1 601 . 1 1 1 A 47 47 SER CA C 47 59.100 61.016 -1.916 1
1 602 . 1 1 1 A 47 47 SER CB C 47 62.800 62.682 0.118 1
1 603 . 1 1 1 A 47 47 SER N N 47 110.300 116.062 -5.762 1
1 604 . 1 1 1 A 48 48 ASN H H 48 11.000 8.167 2.833 1
1 605 . 1 1 1 A 48 48 ASN HA H 48 4.090 4.882 -0.792 1
1 610 . 1 1 1 A 48 48 ASN C C 48 174.700 174.238 0.462 1
1 611 . 1 1 1 A 48 48 ASN CA C 48 55.200 52.816 2.384 1
1 612 . 1 1 1 A 48 48 ASN CB C 48 38.300 38.207 0.093 1
1 614 . 1 1 1 A 48 48 ASN N N 48 123.200 118.344 4.856 1
1 616 . 1 1 1 A 49 49 LYS H H 49 7.830 7.543 0.287 1
1 617 . 1 1 1 A 49 49 LYS HA H 49 4.360 4.606 -0.246 1
1 626 . 1 1 1 A 49 49 LYS C C 49 175.100 175.706 -0.606 1
1 627 . 1 1 1 A 49 49 LYS CA C 49 56.100 54.868 1.232 1
1 628 . 1 1 1 A 49 49 LYS CB C 49 33.200 34.225 -1.025 1
1 632 . 1 1 1 A 49 49 LYS N N 49 119.400 117.313 2.087 1
1 633 . 1 1 1 A 50 50 ILE H H 50 8.570 8.847 -0.277 1
1 634 . 1 1 1 A 50 50 ILE HA H 50 4.160 4.458 -0.298 1
1 644 . 1 1 1 A 50 50 ILE C C 50 175.000 175.220 -0.220 1
1 645 . 1 1 1 A 50 50 ILE CA C 50 61.200 60.159 1.041 1
1 646 . 1 1 1 A 50 50 ILE CB C 50 36.900 37.537 -0.637 1
1 650 . 1 1 1 A 50 50 ILE N N 50 123.000 124.168 -1.168 1
1 651 . 1 1 1 A 51 51 LEU H H 51 9.270 8.793 0.477 1
1 652 . 1 1 1 A 51 51 LEU HA H 51 5.170 5.026 0.144 1
1 662 . 1 1 1 A 51 51 LEU C C 51 176.300 176.316 -0.016 1
1 663 . 1 1 1 A 51 51 LEU CA C 51 52.500 53.200 -0.700 1
1 664 . 1 1 1 A 51 51 LEU CB C 51 42.600 43.858 -1.258 1
1 668 . 1 1 1 A 51 51 LEU N N 51 127.000 128.645 -1.645 1
1 669 . 1 1 1 A 52 52 GLN H H 52 9.110 7.845 1.265 1
1 670 . 1 1 1 A 52 52 GLN HA H 52 4.590 4.404 0.186 1
1 677 . 1 1 1 A 52 52 GLN C C 52 175.000 174.670 0.330 1
1 678 . 1 1 1 A 52 52 GLN CA C 52 56.800 55.807 0.993 1
1 679 . 1 1 1 A 52 52 GLN CB C 52 29.200 28.725 0.475 1
1 682 . 1 1 1 A 52 52 GLN N N 52 122.700 123.238 -0.538 1
1 684 . 1 1 1 A 53 53 THR H H 53 9.110 8.403 0.707 1
1 685 . 1 1 1 A 53 53 THR HA H 53 4.730 5.338 -0.608 1
1 690 . 1 1 1 A 53 53 THR C C 53 172.500 173.229 -0.729 1
1 691 . 1 1 1 A 53 53 THR CA C 53 60.500 60.260 0.240 1
1 692 . 1 1 1 A 53 53 THR CB C 53 69.800 71.238 -1.438 1
1 694 . 1 1 1 A 53 53 THR N N 53 121.500 119.790 1.710 1
1 695 . 1 1 1 A 54 54 ASN H H 54 8.210 9.375 -1.165 1
1 696 . 1 1 1 A 54 54 ASN HA H 54 5.400 5.223 0.177 1
1 701 . 1 1 1 A 54 54 ASN C C 54 172.900 173.621 -0.721 1
1 702 . 1 1 1 A 54 54 ASN CA C 54 52.400 51.732 0.668 1
1 703 . 1 1 1 A 54 54 ASN CB C 54 40.900 39.580 1.320 1
1 705 . 1 1 1 A 54 54 ASN N N 54 125.400 128.808 -3.408 1
1 707 . 1 1 1 A 55 55 THR H H 55 8.510 8.567 -0.057 1
1 708 . 1 1 1 A 55 55 THR HA H 55 5.120 4.863 0.257 1
1 713 . 1 1 1 A 55 55 THR C C 55 172.800 173.503 -0.703 1
1 714 . 1 1 1 A 55 55 THR CA C 55 61.400 62.419 -1.019 1
1 715 . 1 1 1 A 55 55 THR CB C 55 69.700 69.916 -0.216 1
1 717 . 1 1 1 A 55 55 THR N N 55 119.300 120.472 -1.172 1
1 718 . 1 1 1 A 56 56 TYR H H 56 8.460 9.249 -0.789 1
1 719 . 1 1 1 A 56 56 TYR HA H 56 5.260 5.760 -0.500 1
1 726 . 1 1 1 A 56 56 TYR C C 56 173.400 174.940 -1.540 1
1 727 . 1 1 1 A 56 56 TYR CA C 56 57.500 56.343 1.157 1
1 728 . 1 1 1 A 56 56 TYR CB C 56 41.400 41.087 0.313 1
1 733 . 1 1 1 A 56 56 TYR N N 56 125.400 126.309 -0.909 1
1 734 . 1 1 1 A 57 57 TYR H H 57 8.450 8.726 -0.276 1
1 735 . 1 1 1 A 57 57 TYR HA H 57 4.530 5.699 -1.169 1
1 742 . 1 1 1 A 57 57 TYR C C 57 172.400 173.777 -1.377 1
1 743 . 1 1 1 A 57 57 TYR CA C 57 56.600 55.553 1.047 1
1 744 . 1 1 1 A 57 57 TYR CB C 57 41.700 42.213 -0.513 1
1 749 . 1 1 1 A 57 57 TYR N N 57 113.900 120.201 -6.301 1
1 750 . 1 1 1 A 58 58 SER H H 58 7.100 8.537 -1.437 1
1 751 . 1 1 1 A 58 58 SER HA H 58 4.750 4.863 -0.113 1
1 754 . 1 1 1 A 58 58 SER C C 58 173.800 174.713 -0.913 1
1 755 . 1 1 1 A 58 58 SER CA C 58 56.600 56.271 0.329 1
1 756 . 1 1 1 A 58 58 SER CB C 58 65.600 66.262 -0.662 1
1 757 . 1 1 1 A 58 58 SER N N 58 114.200 116.172 -1.972 1
1 758 . 1 1 1 A 59 59 ASP H H 59 9.140 9.052 0.088 1
1 759 . 1 1 1 A 59 59 ASP HA H 59 4.550 4.372 0.178 1
1 762 . 1 1 1 A 59 59 ASP C C 59 179.000 178.791 0.209 1
1 763 . 1 1 1 A 59 59 ASP CA C 59 58.500 57.724 0.776 1
1 764 . 1 1 1 A 59 59 ASP CB C 59 40.400 40.333 0.067 1
1 765 . 1 1 1 A 59 59 ASP N N 59 121.800 120.840 0.960 1
1 766 . 1 1 1 A 60 60 THR H H 60 9.060 7.691 1.369 1
1 767 . 1 1 1 A 60 60 THR HA H 60 4.000 3.942 0.058 1
1 772 . 1 1 1 A 60 60 THR C C 60 178.000 177.220 0.780 1
1 773 . 1 1 1 A 60 60 THR CA C 60 67.300 65.784 1.516 1
1 774 . 1 1 1 A 60 60 THR CB C 60 67.300 68.250 -0.950 1
1 776 . 1 1 1 A 60 60 THR N N 60 114.800 113.084 1.716 1
1 777 . 1 1 1 A 61 61 LEU H H 61 7.950 7.675 0.275 1
1 778 . 1 1 1 A 61 61 LEU HA H 61 3.610 3.617 -0.007 1
1 788 . 1 1 1 A 61 61 LEU C C 61 178.900 178.893 0.007 1
1 789 . 1 1 1 A 61 61 LEU CA C 61 58.600 57.582 1.018 1
1 790 . 1 1 1 A 61 61 LEU CB C 61 39.500 41.514 -2.014 1
1 794 . 1 1 1 A 61 61 LEU N N 61 126.100 122.883 3.217 1
1 795 . 1 1 1 A 62 62 HIS H H 62 8.260 8.632 -0.372 1
1 796 . 1 1 1 A 62 62 HIS HA H 62 4.470 3.931 0.539 1
1 800 . 1 1 1 A 62 62 HIS C C 62 178.900 176.744 2.156 1
1 801 . 1 1 1 A 62 62 HIS CA C 62 58.600 60.160 -1.560 1
1 802 . 1 1 1 A 62 62 HIS CB C 62 29.500 30.059 -0.559 1
1 804 . 1 1 1 A 62 62 HIS N N 62 116.000 117.668 -1.668 1
1 805 . 1 1 1 A 63 63 LYS H H 63 7.790 8.227 -0.437 1
1 806 . 1 1 1 A 63 63 LYS HA H 63 3.960 3.810 0.150 1
1 815 . 1 1 1 A 63 63 LYS C C 63 177.900 178.513 -0.613 1
1 816 . 1 1 1 A 63 63 LYS CA C 63 59.200 59.368 -0.168 1
1 817 . 1 1 1 A 63 63 LYS CB C 63 32.400 32.142 0.258 1
1 821 . 1 1 1 A 63 63 LYS N N 63 119.100 119.694 -0.594 1
1 822 . 1 1 1 A 64 64 SER H H 64 7.580 7.707 -0.127 1
1 823 . 1 1 1 A 64 64 SER HA H 64 4.260 4.362 -0.102 1
1 826 . 1 1 1 A 64 64 SER C C 64 172.100 173.485 -1.385 1
1 827 . 1 1 1 A 64 64 SER CA C 64 59.300 58.072 1.228 1
1 828 . 1 1 1 A 64 64 SER CB C 64 63.600 63.110 0.490 1
1 829 . 1 1 1 A 64 64 SER N N 64 112.470 112.586 -0.116 1
1 830 . 1 1 1 A 65 65 ASN H H 65 7.760 7.928 -0.168 1
1 831 . 1 1 1 A 65 65 ASN HA H 65 3.870 4.037 -0.167 1
1 836 . 1 1 1 A 65 65 ASN C C 65 171.100 173.425 -2.325 1
1 837 . 1 1 1 A 65 65 ASN CA C 65 54.300 53.925 0.375 1
1 838 . 1 1 1 A 65 65 ASN CB C 65 37.500 37.078 0.422 1
1 840 . 1 1 1 A 65 65 ASN N N 65 117.600 118.182 -0.582 1
1 842 . 1 1 1 A 66 66 ILE H H 66 6.820 7.451 -0.631 1
1 843 . 1 1 1 A 66 66 ILE HA H 66 4.590 4.666 -0.076 1
1 853 . 1 1 1 A 66 66 ILE C C 66 174.000 174.045 -0.045 1
1 854 . 1 1 1 A 66 66 ILE CA C 66 58.200 59.969 -1.769 1
1 855 . 1 1 1 A 66 66 ILE CB C 66 40.200 40.052 0.148 1
1 859 . 1 1 1 A 66 66 ILE N N 66 113.900 119.026 -5.126 1
1 860 . 1 1 1 A 67 67 TYR H H 67 8.530 8.557 -0.027 1
1 861 . 1 1 1 A 67 67 TYR HA H 67 5.050 5.258 -0.208 1
1 868 . 1 1 1 A 67 67 TYR CA C 67 54.000 55.033 -1.033 1
1 869 . 1 1 1 A 67 67 TYR CB C 67 39.400 39.167 0.233 1
1 874 . 1 1 1 A 67 67 TYR N N 67 120.200 126.228 -6.028 1
1 875 . 1 1 1 A 68 68 PRO HA H 68 5.120 5.183 -0.063 1
1 882 . 1 1 1 A 68 68 PRO C C 68 174.600 176.998 -2.398 1
1 883 . 1 1 1 A 68 68 PRO CA C 68 61.500 62.786 -1.286 1
1 884 . 1 1 1 A 68 68 PRO CB C 68 32.200 32.604 -0.404 1
1 887 . 1 1 1 A 69 69 PHE H H 69 8.870 8.546 0.324 1
1 888 . 1 1 1 A 69 69 PHE HA H 69 6.330 5.532 0.798 1
1 896 . 1 1 1 A 69 69 PHE C C 69 173.000 172.508 0.492 1
1 897 . 1 1 1 A 69 69 PHE CA C 69 56.300 56.315 -0.015 1
1 898 . 1 1 1 A 69 69 PHE CB C 69 42.900 41.640 1.260 1
1 903 . 1 1 1 A 69 69 PHE N N 69 118.400 118.682 -0.282 1
1 904 . 1 1 1 A 70 70 ILE H H 70 9.060 8.778 0.282 1
1 905 . 1 1 1 A 70 70 ILE HA H 70 4.840 4.918 -0.078 1
1 915 . 1 1 1 A 70 70 ILE C C 70 175.700 174.987 0.713 1
1 916 . 1 1 1 A 70 70 ILE CA C 70 61.900 60.163 1.737 1
1 917 . 1 1 1 A 70 70 ILE CB C 70 43.000 41.366 1.634 1
1 921 . 1 1 1 A 70 70 ILE N N 70 117.700 120.898 -3.198 1
1 922 . 1 1 1 A 71 71 LEU H H 71 9.320 9.290 0.030 1
1 923 . 1 1 1 A 71 71 LEU HA H 71 5.720 5.264 0.456 1
1 933 . 1 1 1 A 71 71 LEU C C 71 175.600 175.785 -0.185 1
1 934 . 1 1 1 A 71 71 LEU CA C 71 52.400 54.105 -1.705 1
1 935 . 1 1 1 A 71 71 LEU CB C 71 43.700 43.633 0.067 1
1 939 . 1 1 1 A 71 71 LEU N N 71 124.800 127.074 -2.274 1
1 940 . 1 1 1 A 72 72 TYR H H 72 9.250 8.464 0.786 1
1 941 . 1 1 1 A 72 72 TYR HA H 72 5.350 5.750 -0.400 1
1 948 . 1 1 1 A 72 72 TYR C C 72 174.100 172.433 1.667 1
1 949 . 1 1 1 A 72 72 TYR CA C 72 57.300 56.023 1.277 1
1 950 . 1 1 1 A 72 72 TYR CB C 72 44.500 41.895 2.605 1
1 955 . 1 1 1 A 72 72 TYR N N 72 120.700 121.188 -0.488 1
1 956 . 1 1 1 A 73 73 TYR H H 73 9.250 9.481 -0.231 1
1 957 . 1 1 1 A 73 73 TYR HA H 73 5.110 4.947 0.163 1
1 964 . 1 1 1 A 73 73 TYR C C 73 174.500 174.990 -0.490 1
1 965 . 1 1 1 A 73 73 TYR CA C 73 56.500 57.497 -0.997 1
1 966 . 1 1 1 A 73 73 TYR CB C 73 40.400 41.699 -1.299 1
1 971 . 1 1 1 A 73 73 TYR N N 73 120.300 121.679 -1.379 1
1 972 . 1 1 1 A 74 74 GLN H H 74 9.310 9.133 0.177 1
1 973 . 1 1 1 A 74 74 GLN HA H 74 3.530 3.800 -0.270 1
1 980 . 1 1 1 A 74 74 GLN C C 74 175.400 175.009 0.391 1
1 981 . 1 1 1 A 74 74 GLN CA C 74 57.200 57.076 0.124 1
1 982 . 1 1 1 A 74 74 GLN CB C 74 25.500 26.660 -1.160 1
1 985 . 1 1 1 A 74 74 GLN N N 74 126.000 127.142 -1.142 1
1 987 . 1 1 1 A 75 75 LYS H H 75 8.530 8.589 -0.059 1
1 988 . 1 1 1 A 75 75 LYS HA H 75 3.820 3.836 -0.016 1
1 997 . 1 1 1 A 75 75 LYS C C 75 175.500 174.780 0.720 1
1 998 . 1 1 1 A 75 75 LYS CA C 75 57.300 57.343 -0.043 1
1 999 . 1 1 1 A 75 75 LYS CB C 75 30.900 29.347 1.553 1
1 1003 . 1 1 1 A 75 75 LYS N N 75 113.600 109.550 4.050 1
1 1004 . 1 1 1 A 76 76 GLN H H 76 8.550 7.876 0.674 1
1 1005 . 1 1 1 A 76 76 GLN HA H 76 4.470 4.778 -0.308 1
1 1012 . 1 1 1 A 76 76 GLN C C 76 175.400 174.554 0.846 1
1 1013 . 1 1 1 A 76 76 GLN CA C 76 54.700 55.057 -0.357 1
1 1014 . 1 1 1 A 76 76 GLN CB C 76 29.900 31.636 -1.736 1
1 1017 . 1 1 1 A 76 76 GLN N N 76 122.200 117.964 4.236 1
1 1019 . 1 1 1 A 77 77 LEU H H 77 8.860 8.803 0.057 1
1 1020 . 1 1 1 A 77 77 LEU HA H 77 3.940 4.491 -0.551 1
1 1030 . 1 1 1 A 77 77 LEU C C 77 175.300 176.409 -1.109 1
1 1031 . 1 1 1 A 77 77 LEU CA C 77 56.800 56.831 -0.031 1
1 1032 . 1 1 1 A 77 77 LEU CB C 77 41.800 42.220 -0.420 1
1 1036 . 1 1 1 A 77 77 LEU N N 77 128.900 127.438 1.462 1
1 1037 . 1 1 1 A 78 78 ILE H H 78 8.880 9.296 -0.416 1
1 1038 . 1 1 1 A 78 78 ILE HA H 78 4.810 4.223 0.587 1
1 1048 . 1 1 1 A 78 78 ILE C C 78 174.600 176.085 -1.485 1
1 1049 . 1 1 1 A 78 78 ILE CA C 78 58.300 62.455 -4.155 1
1 1050 . 1 1 1 A 78 78 ILE CB C 78 38.270 38.878 -0.608 1
1 1054 . 1 1 1 A 78 78 ILE N N 78 126.900 127.708 -0.808 1
1 1055 . 1 1 1 A 79 79 ALA H H 79 7.940 7.373 0.567 1
1 1056 . 1 1 1 A 79 79 ALA HA H 79 5.390 5.047 0.343 1
1 1060 . 1 1 1 A 79 79 ALA C C 79 175.300 175.321 -0.021 1
1 1061 . 1 1 1 A 79 79 ALA CA C 79 51.600 51.851 -0.251 1
1 1062 . 1 1 1 A 79 79 ALA CB C 79 24.000 22.617 1.383 1
1 1063 . 1 1 1 A 79 79 ALA N N 79 115.000 118.476 -3.476 1
1 1064 . 1 1 1 A 80 80 ILE H H 80 8.580 8.574 0.006 1
1 1065 . 1 1 1 A 80 80 ILE HA H 80 4.840 5.182 -0.342 1
1 1075 . 1 1 1 A 80 80 ILE C C 80 175.000 175.740 -0.740 1
1 1076 . 1 1 1 A 80 80 ILE CA C 80 60.300 59.681 0.619 1
1 1077 . 1 1 1 A 80 80 ILE CB C 80 42.800 42.238 0.562 1
1 1081 . 1 1 1 A 80 80 ILE N N 80 117.900 120.292 -2.392 1
1 1082 . 1 1 1 A 81 81 GLY H H 81 8.200 7.558 0.642 1
1 1083 . 1 1 1 A 81 81 GLY HA2 H 81 3.750 3.751 -0.001 1
1 1084 . 1 1 1 A 81 81 GLY HA3 H 81 4.070 4.045 0.025 1
1 1085 . 1 1 1 A 81 81 GLY C C 81 169.100 171.608 -2.508 1
1 1086 . 1 1 1 A 81 81 GLY CA C 81 46.600 45.271 1.329 1
1 1087 . 1 1 1 A 81 81 GLY N N 81 116.400 111.795 4.605 1
1 1088 . 1 1 1 A 82 82 PHE H H 82 8.210 8.131 0.079 1
1 1089 . 1 1 1 A 82 82 PHE HA H 82 5.340 5.433 -0.093 1
1 1094 . 1 1 1 A 82 82 PHE C C 82 172.400 172.359 0.041 1
1 1095 . 1 1 1 A 82 82 PHE CA C 82 56.300 55.907 0.393 1
1 1096 . 1 1 1 A 82 82 PHE CB C 82 40.100 42.558 -2.458 1
1 1099 . 1 1 1 A 82 82 PHE N N 82 114.500 114.071 0.429 1
1 1100 . 1 1 1 A 83 83 ILE H H 83 8.490 9.178 -0.688 1
1 1101 . 1 1 1 A 83 83 ILE HA H 83 4.740 4.711 0.029 1
1 1111 . 1 1 1 A 83 83 ILE C C 83 175.200 175.758 -0.558 1
1 1112 . 1 1 1 A 83 83 ILE CA C 83 60.400 60.190 0.210 1
1 1113 . 1 1 1 A 83 83 ILE CB C 83 39.500 39.494 0.006 1
1 1117 . 1 1 1 A 83 83 ILE N N 83 123.400 120.731 2.669 1
1 1118 . 1 1 1 A 84 84 ASP H H 84 8.550 8.321 0.229 1
1 1119 . 1 1 1 A 84 84 ASP HA H 84 5.170 5.104 0.066 1
1 1122 . 1 1 1 A 84 84 ASP C C 84 178.600 176.518 2.082 1
1 1123 . 1 1 1 A 84 84 ASP CA C 84 52.200 52.360 -0.160 1
1 1124 . 1 1 1 A 84 84 ASP CB C 84 42.400 41.579 0.821 1
1 1125 . 1 1 1 A 84 84 ASP N N 84 126.900 128.342 -1.442 1
1 1126 . 1 1 1 A 85 85 GLU H H 85 9.250 9.041 0.209 1
1 1127 . 1 1 1 A 85 85 GLU HA H 85 4.350 4.096 0.254 1
1 1132 . 1 1 1 A 85 85 GLU C C 85 176.800 178.210 -1.410 1
1 1133 . 1 1 1 A 85 85 GLU CA C 85 58.400 59.486 -1.086 1
1 1134 . 1 1 1 A 85 85 GLU CB C 85 28.700 29.355 -0.655 1
1 1136 . 1 1 1 A 85 85 GLU N N 85 118.000 119.482 -1.482 1
1 1137 . 1 1 1 A 86 86 ASN H H 86 8.280 7.823 0.457 1
1 1138 . 1 1 1 A 86 86 ASN HA H 86 4.760 4.889 -0.129 1
1 1143 . 1 1 1 A 86 86 ASN C C 86 174.600 175.134 -0.534 1
1 1144 . 1 1 1 A 86 86 ASN CA C 86 52.800 52.776 0.024 1
1 1145 . 1 1 1 A 86 86 ASN CB C 86 38.900 38.733 0.167 1
1 1147 . 1 1 1 A 86 86 ASN N N 86 118.300 118.222 0.078 1
1 1149 . 1 1 1 A 87 87 HIS H H 87 8.570 8.011 0.559 1
1 1150 . 1 1 1 A 87 87 HIS HA H 87 3.940 4.193 -0.253 1
1 1154 . 1 1 1 A 87 87 HIS C C 87 173.600 174.511 -0.911 1
1 1155 . 1 1 1 A 87 87 HIS CA C 87 57.000 57.280 -0.280 1
1 1156 . 1 1 1 A 87 87 HIS CB C 87 26.700 29.154 -2.454 1
1 1158 . 1 1 1 A 87 87 HIS N N 87 114.000 117.904 -3.904 1
1 1159 . 1 1 1 A 88 88 ASP H H 88 8.210 7.834 0.376 1
1 1160 . 1 1 1 A 88 88 ASP HA H 88 4.840 4.580 0.260 1
1 1163 . 1 1 1 A 88 88 ASP C C 88 174.800 175.718 -0.918 1
1 1164 . 1 1 1 A 88 88 ASP CA C 88 53.900 54.603 -0.703 1
1 1165 . 1 1 1 A 88 88 ASP CB C 88 41.500 41.819 -0.319 1
1 1166 . 1 1 1 A 88 88 ASP N N 88 120.300 121.509 -1.209 1
1 1167 . 1 1 1 A 89 89 MET H H 89 8.550 8.642 -0.092 1
1 1168 . 1 1 1 A 89 89 MET HA H 89 4.450 4.691 -0.241 1
1 1176 . 1 1 1 A 89 89 MET C C 89 173.400 174.923 -1.523 1
1 1177 . 1 1 1 A 89 89 MET CA C 89 55.800 53.780 2.020 1
1 1178 . 1 1 1 A 89 89 MET CB C 89 34.700 32.708 1.992 1
1 1181 . 1 1 1 A 89 89 MET N N 89 120.400 124.612 -4.212 1
1 1182 . 1 1 1 A 90 90 ASP H H 90 8.420 8.345 0.075 1
1 1183 . 1 1 1 A 90 90 ASP HA H 90 4.580 5.095 -0.515 1
1 1186 . 1 1 1 A 90 90 ASP C C 90 174.600 174.514 0.086 1
1 1187 . 1 1 1 A 90 90 ASP CA C 90 52.300 52.775 -0.475 1
1 1188 . 1 1 1 A 90 90 ASP CB C 90 41.800 41.617 0.183 1
1 1189 . 1 1 1 A 90 90 ASP N N 90 126.900 124.354 2.546 1
1 1190 . 1 1 1 A 91 91 PHE H H 91 8.350 8.946 -0.596 1
1 1191 . 1 1 1 A 91 91 PHE HA H 91 4.780 4.990 -0.210 1
1 1199 . 1 1 1 A 91 91 PHE C C 91 175.600 175.336 0.264 1
1 1200 . 1 1 1 A 91 91 PHE CA C 91 58.200 56.421 1.779 1
1 1201 . 1 1 1 A 91 91 PHE CB C 91 41.400 40.421 0.979 1
1 1207 . 1 1 1 A 91 91 PHE N N 91 118.600 122.968 -4.368 1
1 1208 . 1 1 1 A 92 92 LEU H H 92 9.060 8.542 0.518 1
1 1209 . 1 1 1 A 92 92 LEU HA H 92 4.330 4.519 -0.189 1
1 1219 . 1 1 1 A 92 92 LEU C C 92 175.700 176.588 -0.888 1
1 1220 . 1 1 1 A 92 92 LEU CA C 92 55.200 55.526 -0.326 1
1 1221 . 1 1 1 A 92 92 LEU CB C 92 43.500 43.253 0.247 1
1 1225 . 1 1 1 A 92 92 LEU N N 92 121.100 125.026 -3.926 1
1 1226 . 1 1 1 A 93 93 TYR H H 93 7.970 7.653 0.317 1
1 1227 . 1 1 1 A 93 93 TYR HA H 93 4.780 4.876 -0.096 1
1 1234 . 1 1 1 A 93 93 TYR C C 93 172.800 173.056 -0.256 1
1 1235 . 1 1 1 A 93 93 TYR CA C 93 57.600 57.875 -0.275 1
1 1236 . 1 1 1 A 93 93 TYR CB C 93 42.500 41.109 1.391 1
1 1241 . 1 1 1 A 93 93 TYR N N 93 118.600 118.209 0.391 1
1 1242 . 1 1 1 A 94 94 LEU H H 94 8.220 8.391 -0.171 1
1 1243 . 1 1 1 A 94 94 LEU HA H 94 5.060 5.016 0.044 1
1 1253 . 1 1 1 A 94 94 LEU C C 94 171.900 174.589 -2.689 1
1 1254 . 1 1 1 A 94 94 LEU CA C 94 55.100 53.139 1.961 1
1 1255 . 1 1 1 A 94 94 LEU CB C 94 44.800 44.917 -0.117 1
1 1259 . 1 1 1 A 94 94 LEU N N 94 128.600 130.272 -1.672 1
1 1260 . 1 1 1 A 95 95 HIS H H 95 9.720 8.427 1.293 1
1 1261 . 1 1 1 A 95 95 HIS HA H 95 4.570 4.845 -0.275 1
1 1266 . 1 1 1 A 95 95 HIS C C 95 173.100 173.433 -0.333 1
1 1267 . 1 1 1 A 95 95 HIS CA C 95 55.500 55.367 0.133 1
1 1268 . 1 1 1 A 95 95 HIS CB C 95 35.900 32.009 3.891 1
1 1271 . 1 1 1 A 95 95 HIS N N 95 133.000 125.738 7.262 1
1 1272 . 1 1 1 A 96 96 ASN H H 96 7.670 8.781 -1.111 1
1 1273 . 1 1 1 A 96 96 ASN HA H 96 4.930 4.783 0.147 1
1 1278 . 1 1 1 A 96 96 ASN C C 96 176.100 176.110 -0.010 1
1 1279 . 1 1 1 A 96 96 ASN CA C 96 51.000 53.332 -2.332 1
1 1280 . 1 1 1 A 96 96 ASN CB C 96 38.500 39.889 -1.389 1
1 1281 . 1 1 1 A 96 96 ASN N N 96 118.600 127.198 -8.598 1
1 1283 . 1 1 1 A 97 97 THR H H 97 10.580 8.731 1.849 1
1 1284 . 1 1 1 A 97 97 THR HA H 97 4.090 3.869 0.221 1
1 1289 . 1 1 1 A 97 97 THR C C 97 174.600 176.493 -1.893 1
1 1290 . 1 1 1 A 97 97 THR CA C 97 67.000 67.185 -0.185 1
1 1291 . 1 1 1 A 97 97 THR CB C 97 68.300 68.647 -0.347 1
1 1293 . 1 1 1 A 97 97 THR N N 97 116.300 118.990 -2.690 1
1 1294 . 1 1 1 A 98 98 VAL H H 98 8.440 7.431 1.009 1
1 1295 . 1 1 1 A 98 98 VAL HA H 98 4.180 3.869 0.311 1
1 1303 . 1 1 1 A 98 98 VAL C C 98 174.800 176.305 -1.505 1
1 1304 . 1 1 1 A 98 98 VAL CA C 98 64.400 64.970 -0.570 1
1 1305 . 1 1 1 A 98 98 VAL CB C 98 33.100 32.234 0.866 1
1 1308 . 1 1 1 A 98 98 VAL N N 98 123.900 118.546 5.354 1
1 1309 . 1 1 1 A 99 99 MET H H 99 8.590 7.820 0.770 1
1 1310 . 1 1 1 A 99 99 MET HA H 99 4.720 4.991 -0.271 1
1 1318 . 1 1 1 A 99 99 MET CA C 99 52.400 52.558 -0.158 1
1 1319 . 1 1 1 A 99 99 MET CB C 99 34.100 34.622 -0.522 1
1 1322 . 1 1 1 A 99 99 MET N N 99 118.700 115.615 3.085 1
1 1323 . 1 1 1 A 100 100 PRO HA H 100 4.210 4.739 -0.529 1
1 1330 . 1 1 1 A 100 100 PRO C C 100 175.900 176.304 -0.404 1
1 1331 . 1 1 1 A 100 100 PRO CA C 100 62.100 62.822 -0.722 1
1 1332 . 1 1 1 A 100 100 PRO CB C 100 31.000 32.042 -1.042 1
1 1335 . 1 1 1 A 101 101 LEU H H 101 9.010 8.778 0.232 1
1 1336 . 1 1 1 A 101 101 LEU HA H 101 4.310 4.346 -0.036 1
1 1346 . 1 1 1 A 101 101 LEU C C 101 176.900 176.575 0.325 1
1 1347 . 1 1 1 A 101 101 LEU CA C 101 55.000 55.817 -0.817 1
1 1348 . 1 1 1 A 101 101 LEU CB C 101 42.800 42.596 0.204 1
1 1352 . 1 1 1 A 101 101 LEU N N 101 124.000 119.814 4.186 1
1 1353 . 1 1 1 A 102 102 LEU H H 102 7.620 7.510 0.110 1
1 1354 . 1 1 1 A 102 102 LEU HA H 102 4.360 4.825 -0.465 1
1 1364 . 1 1 1 A 102 102 LEU C C 102 174.800 174.671 0.129 1
1 1365 . 1 1 1 A 102 102 LEU CA C 102 54.900 53.462 1.438 1
1 1366 . 1 1 1 A 102 102 LEU CB C 102 45.300 44.394 0.906 1
1 1370 . 1 1 1 A 102 102 LEU N N 102 119.000 117.924 1.076 1
1 1371 . 1 1 1 A 103 103 ASP H H 103 9.120 8.961 0.159 1
1 1372 . 1 1 1 A 103 103 ASP HA H 103 5.100 5.376 -0.276 1
1 1375 . 1 1 1 A 103 103 ASP C C 103 174.500 174.301 0.199 1
1 1376 . 1 1 1 A 103 103 ASP CA C 103 54.900 53.472 1.428 1
1 1377 . 1 1 1 A 103 103 ASP CB C 103 41.000 42.850 -1.850 1
1 1378 . 1 1 1 A 103 103 ASP N N 103 120.700 121.942 -1.242 1
1 1379 . 1 1 1 A 104 104 GLN H H 104 8.990 8.874 0.116 1
1 1380 . 1 1 1 A 104 104 GLN HA H 104 4.710 4.872 -0.162 1
1 1387 . 1 1 1 A 104 104 GLN C C 104 176.100 176.068 0.032 1
1 1388 . 1 1 1 A 104 104 GLN CA C 104 54.100 54.672 -0.572 1
1 1389 . 1 1 1 A 104 104 GLN CB C 104 28.500 30.824 -2.324 1
1 1392 . 1 1 1 A 104 104 GLN N N 104 125.400 124.225 1.175 1
1 1394 . 1 1 1 A 105 105 ARG H H 105 8.380 8.860 -0.480 1
1 1395 . 1 1 1 A 105 105 ARG HA H 105 3.510 3.885 -0.375 1
1 1402 . 1 1 1 A 105 105 ARG C C 105 177.500 177.961 -0.461 1
1 1403 . 1 1 1 A 105 105 ARG CA C 105 60.200 59.686 0.514 1
1 1404 . 1 1 1 A 105 105 ARG CB C 105 29.400 29.538 -0.138 1
1 1407 . 1 1 1 A 105 105 ARG N N 105 117.700 125.897 -8.197 1
1 1408 . 1 1 1 A 106 106 TYR H H 106 7.800 8.017 -0.217 1
1 1409 . 1 1 1 A 106 106 TYR HA H 106 4.360 4.386 -0.026 1
1 1416 . 1 1 1 A 106 106 TYR C C 106 176.800 178.330 -1.530 1
1 1417 . 1 1 1 A 106 106 TYR CA C 106 58.600 60.338 -1.738 1
1 1418 . 1 1 1 A 106 106 TYR CB C 106 36.000 38.325 -2.325 1
1 1423 . 1 1 1 A 106 106 TYR N N 106 118.100 119.434 -1.334 1
1 1424 . 1 1 1 A 107 107 LEU H H 107 7.170 8.157 -0.987 1
1 1425 . 1 1 1 A 107 107 LEU HA H 107 3.970 4.156 -0.186 1
1 1435 . 1 1 1 A 107 107 LEU C C 107 178.300 178.311 -0.011 1
1 1436 . 1 1 1 A 107 107 LEU CA C 107 56.600 58.161 -1.561 1
1 1437 . 1 1 1 A 107 107 LEU CB C 107 41.800 41.611 0.189 1
1 1441 . 1 1 1 A 107 107 LEU N N 107 121.900 121.141 0.759 1
1 1442 . 1 1 1 A 108 108 LEU H H 108 7.680 7.632 0.048 1
1 1443 . 1 1 1 A 108 108 LEU HA H 108 4.070 3.663 0.407 1
1 1453 . 1 1 1 A 108 108 LEU C C 108 177.500 178.720 -1.220 1
1 1454 . 1 1 1 A 108 108 LEU CA C 108 55.400 57.995 -2.595 1
1 1455 . 1 1 1 A 108 108 LEU CB C 108 41.500 41.581 -0.081 1
1 1459 . 1 1 1 A 108 108 LEU N N 108 115.400 120.039 -4.639 1
1 1460 . 1 1 1 A 109 109 THR H H 109 7.510 7.837 -0.327 1
1 1461 . 1 1 1 A 109 109 THR HA H 109 4.310 4.571 -0.261 1
1 1466 . 1 1 1 A 109 109 THR C C 109 175.300 174.975 0.325 1
1 1467 . 1 1 1 A 109 109 THR CA C 109 61.600 62.078 -0.478 1
1 1468 . 1 1 1 A 109 109 THR CB C 109 69.500 69.901 -0.401 1
1 1470 . 1 1 1 A 109 109 THR N N 109 108.800 106.950 1.850 1
1 1471 . 1 1 1 A 110 110 GLY H H 110 8.010 8.077 -0.067 1
1 1472 . 1 1 1 A 110 110 GLY HA2 H 110 3.950 4.121 -0.171 1
1 1473 . 1 1 1 A 110 110 GLY HA3 H 110 4.030 4.171 -0.141 1
1 1474 . 1 1 1 A 110 110 GLY C C 110 174.500 175.045 -0.545 1
1 1475 . 1 1 1 A 110 110 GLY CA C 110 45.400 47.078 -1.678 1
1 1476 . 1 1 1 A 110 110 GLY N N 110 110.100 111.670 -1.570 1
1 1477 . 1 1 1 A 111 111 GLY H H 111 8.310 8.201 0.109 1
1 1478 . 1 1 1 A 111 111 GLY HA2 H 111 3.930 4.080 -0.150 1
1 1479 . 1 1 1 A 111 111 GLY HA3 H 111 3.930 4.097 -0.167 1
1 1480 . 1 1 1 A 111 111 GLY C C 111 173.700 173.642 0.058 1
1 1481 . 1 1 1 A 111 111 GLY CA C 111 45.400 45.231 0.169 1
1 1482 . 1 1 1 A 111 111 GLY N N 111 108.300 109.846 -1.546 1
1 1483 . 1 1 1 A 112 112 GLN H H 112 8.280 8.498 -0.218 1
1 1484 . 1 1 1 A 112 112 GLN HA H 112 4.270 4.357 -0.087 1
1 1491 . 1 1 1 A 112 112 GLN C C 112 175.700 177.063 -1.363 1
1 1492 . 1 1 1 A 112 112 GLN CA C 112 55.600 56.108 -0.508 1
1 1493 . 1 1 1 A 112 112 GLN CB C 112 29.200 29.789 -0.589 1
1 1496 . 1 1 1 A 112 112 GLN N N 112 119.200 118.556 0.644 1
1 1498 . 1 1 1 A 113 113 LEU H H 113 8.260 8.849 -0.589 1
1 1499 . 1 1 1 A 113 113 LEU HA H 113 4.180 4.425 -0.245 1
1 1509 . 1 1 1 A 113 113 LEU C C 113 177.000 176.213 0.787 1
1 1510 . 1 1 1 A 113 113 LEU CA C 113 55.100 55.093 0.007 1
1 1511 . 1 1 1 A 113 113 LEU CB C 113 42.100 42.656 -0.556 1
1 1515 . 1 1 1 A 113 113 LEU N N 113 122.800 121.417 1.383 1
1 1516 . 1 1 1 A 114 114 GLU H H 114 8.290 7.825 0.465 1
1 1517 . 1 1 1 A 114 114 GLU HA H 114 4.140 4.833 -0.693 1
1 1522 . 1 1 1 A 114 114 GLU CA C 114 56.300 55.613 0.687 1
1 1523 . 1 1 1 A 114 114 GLU CB C 114 30.200 32.764 -2.564 1
1 1 . 2 1 1 A 2 2 THR HA H 2 4.300 4.838 -0.538 1
1 6 . 2 1 1 A 2 2 THR C C 2 174.800 175.767 -0.967 1
1 7 . 2 1 1 A 2 2 THR CA C 2 61.100 60.152 0.948 1
1 8 . 2 1 1 A 2 2 THR CB C 2 70.400 70.496 -0.096 1
1 10 . 2 1 1 A 3 3 LEU H H 3 8.760 8.660 0.100 1
1 11 . 2 1 1 A 3 3 LEU HA H 3 4.110 3.879 0.231 1
1 21 . 2 1 1 A 3 3 LEU C C 3 178.300 178.817 -0.517 1
1 22 . 2 1 1 A 3 3 LEU CA C 3 57.800 58.164 -0.364 1
1 23 . 2 1 1 A 3 3 LEU CB C 3 41.600 41.506 0.094 1
1 27 . 2 1 1 A 3 3 LEU N N 3 123.600 123.636 -0.036 1
1 28 . 2 1 1 A 4 4 GLU H H 4 8.740 8.218 0.522 1
1 29 . 2 1 1 A 4 4 GLU HA H 4 3.670 3.990 -0.320 1
1 34 . 2 1 1 A 4 4 GLU C C 4 177.900 178.654 -0.754 1
1 35 . 2 1 1 A 4 4 GLU CA C 4 60.000 59.354 0.646 1
1 36 . 2 1 1 A 4 4 GLU CB C 4 29.200 29.542 -0.342 1
1 38 . 2 1 1 A 4 4 GLU N N 4 116.500 120.778 -4.278 1
1 39 . 2 1 1 A 5 5 LEU H H 5 7.340 8.116 -0.776 1
1 40 . 2 1 1 A 5 5 LEU HA H 5 3.900 4.079 -0.179 1
1 50 . 2 1 1 A 5 5 LEU C C 5 178.900 178.870 0.030 1
1 51 . 2 1 1 A 5 5 LEU CA C 5 56.900 57.834 -0.934 1
1 52 . 2 1 1 A 5 5 LEU CB C 5 41.200 41.712 -0.512 1
1 56 . 2 1 1 A 5 5 LEU N N 5 120.500 121.230 -0.730 1
1 57 . 2 1 1 A 6 6 GLN H H 6 8.350 8.028 0.322 1
1 58 . 2 1 1 A 6 6 GLN HA H 6 3.970 4.171 -0.201 1
1 63 . 2 1 1 A 6 6 GLN C C 6 179.700 178.722 0.978 1
1 64 . 2 1 1 A 6 6 GLN CA C 6 59.100 58.610 0.490 1
1 65 . 2 1 1 A 6 6 GLN CB C 6 29.100 28.155 0.945 1
1 67 . 2 1 1 A 6 6 GLN N N 6 120.800 118.087 2.713 1
1 68 . 2 1 1 A 7 7 LEU H H 7 8.620 8.457 0.163 1
1 69 . 2 1 1 A 7 7 LEU HA H 7 4.010 4.166 -0.156 1
1 79 . 2 1 1 A 7 7 LEU C C 7 176.900 178.765 -1.865 1
1 80 . 2 1 1 A 7 7 LEU CA C 7 57.800 57.884 -0.084 1
1 81 . 2 1 1 A 7 7 LEU CB C 7 41.700 41.849 -0.149 1
1 85 . 2 1 1 A 7 7 LEU N N 7 121.000 122.214 -1.214 1
1 86 . 2 1 1 A 8 8 LYS H H 8 7.750 7.628 0.122 1
1 87 . 2 1 1 A 8 8 LYS HA H 8 3.570 3.886 -0.316 1
1 96 . 2 1 1 A 8 8 LYS C C 8 179.400 179.552 -0.152 1
1 97 . 2 1 1 A 8 8 LYS CA C 8 59.000 58.816 0.184 1
1 98 . 2 1 1 A 8 8 LYS CB C 8 32.400 31.907 0.493 1
1 102 . 2 1 1 A 8 8 LYS N N 8 119.700 118.828 0.872 1
1 103 . 2 1 1 A 9 9 HIS H H 9 8.520 7.767 0.753 1
1 104 . 2 1 1 A 9 9 HIS HA H 9 4.050 4.428 -0.378 1
1 107 . 2 1 1 A 9 9 HIS C C 9 176.500 177.681 -1.181 1
1 108 . 2 1 1 A 9 9 HIS CA C 9 59.400 59.677 -0.277 1
1 109 . 2 1 1 A 9 9 HIS CB C 9 29.900 29.897 0.003 1
1 110 . 2 1 1 A 9 9 HIS N N 9 120.500 119.249 1.251 1
1 111 . 2 1 1 A 10 10 TYR H H 10 7.990 8.591 -0.601 1
1 112 . 2 1 1 A 10 10 TYR HA H 10 4.160 4.079 0.081 1
1 119 . 2 1 1 A 10 10 TYR C C 10 177.400 177.074 0.326 1
1 120 . 2 1 1 A 10 10 TYR CA C 10 61.800 61.403 0.397 1
1 121 . 2 1 1 A 10 10 TYR CB C 10 39.500 38.743 0.757 1
1 126 . 2 1 1 A 10 10 TYR N N 10 119.200 119.830 -0.630 1
1 127 . 2 1 1 A 11 11 ILE H H 11 8.710 8.349 0.361 1
1 128 . 2 1 1 A 11 11 ILE HA H 11 3.540 3.461 0.079 1
1 138 . 2 1 1 A 11 11 ILE CA C 11 61.600 64.428 -2.828 1
1 139 . 2 1 1 A 11 11 ILE CB C 11 36.200 37.661 -1.461 1
1 143 . 2 1 1 A 11 11 ILE N N 11 118.900 120.662 -1.762 1
1 144 . 2 1 1 A 12 12 THR HA H 12 3.840 4.070 -0.230 1
1 149 . 2 1 1 A 12 12 THR C C 12 176.900 177.544 -0.644 1
1 150 . 2 1 1 A 12 12 THR CA C 12 66.400 65.966 0.434 1
1 151 . 2 1 1 A 12 12 THR CB C 12 68.300 68.280 0.020 1
1 153 . 2 1 1 A 13 13 ASN H H 13 7.440 8.397 -0.957 1
1 154 . 2 1 1 A 13 13 ASN HA H 13 4.420 4.476 -0.056 1
1 159 . 2 1 1 A 13 13 ASN C C 13 176.700 177.977 -1.277 1
1 160 . 2 1 1 A 13 13 ASN CA C 13 55.900 56.150 -0.250 1
1 161 . 2 1 1 A 13 13 ASN CB C 13 38.600 38.020 0.580 1
1 163 . 2 1 1 A 13 13 ASN N N 13 118.300 121.549 -3.249 1
1 165 . 2 1 1 A 14 14 LEU H H 14 7.890 7.648 0.242 1
1 166 . 2 1 1 A 14 14 LEU HA H 14 3.660 3.773 -0.113 1
1 176 . 2 1 1 A 14 14 LEU C C 14 177.900 177.905 -0.005 1
1 177 . 2 1 1 A 14 14 LEU CA C 14 57.600 57.603 -0.003 1
1 178 . 2 1 1 A 14 14 LEU CB C 14 42.600 41.200 1.400 1
1 182 . 2 1 1 A 14 14 LEU N N 14 122.100 121.358 0.742 1
1 183 . 2 1 1 A 15 15 PHE H H 15 7.670 7.719 -0.049 1
1 184 . 2 1 1 A 15 15 PHE HA H 15 4.490 4.534 -0.044 1
1 191 . 2 1 1 A 15 15 PHE C C 15 173.800 174.806 -1.006 1
1 192 . 2 1 1 A 15 15 PHE CA C 15 57.900 57.115 0.785 1
1 193 . 2 1 1 A 15 15 PHE CB C 15 38.900 39.521 -0.621 1
1 198 . 2 1 1 A 15 15 PHE N N 15 111.800 114.105 -2.305 1
1 199 . 2 1 1 A 16 16 ASN H H 16 7.450 8.283 -0.833 1
1 200 . 2 1 1 A 16 16 ASN HA H 16 4.420 4.334 0.086 1
1 205 . 2 1 1 A 16 16 ASN C C 16 174.200 174.063 0.137 1
1 206 . 2 1 1 A 16 16 ASN CA C 16 54.100 54.112 -0.012 1
1 207 . 2 1 1 A 16 16 ASN CB C 16 36.500 37.191 -0.691 1
1 209 . 2 1 1 A 16 16 ASN N N 16 118.500 118.297 0.203 1
1 211 . 2 1 1 A 17 17 LEU H H 17 8.410 7.994 0.416 1
1 212 . 2 1 1 A 17 17 LEU HA H 17 4.630 4.508 0.122 1
1 222 . 2 1 1 A 17 17 LEU CA C 17 52.300 52.746 -0.446 1
1 223 . 2 1 1 A 17 17 LEU CB C 17 41.000 41.349 -0.349 1
1 227 . 2 1 1 A 17 17 LEU N N 17 118.700 119.965 -1.265 1
1 228 . 2 1 1 A 18 18 PRO HA H 18 4.380 4.492 -0.112 1
1 235 . 2 1 1 A 18 18 PRO C C 18 178.600 177.483 1.117 1
1 236 . 2 1 1 A 18 18 PRO CA C 18 63.100 63.549 -0.449 1
1 237 . 2 1 1 A 18 18 PRO CB C 18 31.800 32.394 -0.594 1
1 240 . 2 1 1 A 19 19 ARG H H 19 8.650 8.962 -0.312 1
1 241 . 2 1 1 A 19 19 ARG HA H 19 3.820 4.161 -0.341 1
1 248 . 2 1 1 A 19 19 ARG C C 19 176.500 177.168 -0.668 1
1 249 . 2 1 1 A 19 19 ARG CA C 19 58.100 58.586 -0.486 1
1 250 . 2 1 1 A 19 19 ARG CB C 19 30.300 30.236 0.064 1
1 253 . 2 1 1 A 19 19 ARG N N 19 124.600 124.548 0.052 1
1 254 . 2 1 1 A 20 20 ASP H H 20 8.390 8.387 0.003 1
1 255 . 2 1 1 A 20 20 ASP HA H 20 4.550 4.497 0.053 1
1 258 . 2 1 1 A 20 20 ASP C C 20 175.700 175.549 0.151 1
1 259 . 2 1 1 A 20 20 ASP CA C 20 53.000 54.058 -1.058 1
1 260 . 2 1 1 A 20 20 ASP CB C 20 40.400 39.563 0.837 1
1 261 . 2 1 1 A 20 20 ASP N N 20 114.300 115.286 -0.986 1
1 262 . 2 1 1 A 21 21 GLU H H 21 6.780 7.713 -0.933 1
1 263 . 2 1 1 A 21 21 GLU HA H 21 4.150 4.835 -0.685 1
1 268 . 2 1 1 A 21 21 GLU C C 21 175.400 175.461 -0.061 1
1 269 . 2 1 1 A 21 21 GLU CA C 21 56.200 55.415 0.785 1
1 270 . 2 1 1 A 21 21 GLU CB C 21 31.600 31.654 -0.054 1
1 272 . 2 1 1 A 21 21 GLU N N 21 121.600 121.689 -0.089 1
1 273 . 2 1 1 A 22 22 LYS H H 22 8.860 8.781 0.079 1
1 274 . 2 1 1 A 22 22 LYS HA H 22 4.160 4.411 -0.251 1
1 283 . 2 1 1 A 22 22 LYS C C 22 176.100 176.344 -0.244 1
1 284 . 2 1 1 A 22 22 LYS CA C 22 57.200 55.791 1.409 1
1 285 . 2 1 1 A 22 22 LYS CB C 22 33.000 33.510 -0.510 1
1 289 . 2 1 1 A 22 22 LYS N N 22 128.900 127.137 1.763 1
1 290 . 2 1 1 A 23 23 TRP H H 23 8.750 8.684 0.066 1
1 291 . 2 1 1 A 23 23 TRP HA H 23 5.400 5.512 -0.112 1
1 300 . 2 1 1 A 23 23 TRP C C 23 176.500 175.830 0.670 1
1 301 . 2 1 1 A 23 23 TRP CA C 23 54.600 56.790 -2.190 1
1 302 . 2 1 1 A 23 23 TRP CB C 23 31.100 33.104 -2.004 1
1 308 . 2 1 1 A 23 23 TRP N N 23 126.100 123.481 2.619 1
1 310 . 2 1 1 A 24 24 GLU H H 24 9.040 8.694 0.346 1
1 311 . 2 1 1 A 24 24 GLU HA H 24 4.590 5.007 -0.417 1
1 316 . 2 1 1 A 24 24 GLU C C 24 174.100 176.400 -2.300 1
1 317 . 2 1 1 A 24 24 GLU CA C 24 54.200 55.501 -1.301 1
1 318 . 2 1 1 A 24 24 GLU CB C 24 31.600 31.775 -0.175 1
1 320 . 2 1 1 A 24 24 GLU N N 24 122.700 120.166 2.534 1
1 321 . 2 1 1 A 25 25 CYS H H 25 8.740 8.901 -0.161 1
1 322 . 2 1 1 A 25 25 CYS HA H 25 4.870 4.530 0.340 1
1 325 . 2 1 1 A 25 25 CYS C C 25 174.400 173.689 0.711 1
1 326 . 2 1 1 A 25 25 CYS CA C 25 57.200 58.414 -1.214 1
1 327 . 2 1 1 A 25 25 CYS CB C 25 30.200 28.939 1.261 1
1 328 . 2 1 1 A 25 25 CYS N N 25 119.900 125.530 -5.630 1
1 329 . 2 1 1 A 26 26 GLU H H 26 9.220 8.362 0.858 1
1 330 . 2 1 1 A 26 26 GLU HA H 26 4.740 4.971 -0.231 1
1 335 . 2 1 1 A 26 26 GLU C C 26 175.000 174.647 0.353 1
1 336 . 2 1 1 A 26 26 GLU CA C 26 55.100 55.004 0.096 1
1 337 . 2 1 1 A 26 26 GLU CB C 26 31.700 33.695 -1.995 1
1 339 . 2 1 1 A 26 26 GLU N N 26 131.200 123.934 7.266 1
1 340 . 2 1 1 A 27 27 SER H H 27 8.900 8.882 0.018 1
1 341 . 2 1 1 A 27 27 SER HA H 27 5.750 4.987 0.763 1
1 344 . 2 1 1 A 27 27 SER C C 27 173.600 173.833 -0.233 1
1 345 . 2 1 1 A 27 27 SER CA C 27 56.700 57.093 -0.393 1
1 346 . 2 1 1 A 27 27 SER CB C 27 64.200 64.084 0.116 1
1 347 . 2 1 1 A 27 27 SER N N 27 125.100 121.304 3.796 1
1 348 . 2 1 1 A 28 28 ILE H H 28 8.540 9.238 -0.698 1
1 349 . 2 1 1 A 28 28 ILE HA H 28 4.680 4.699 -0.019 1
1 359 . 2 1 1 A 28 28 ILE C C 28 174.100 174.436 -0.336 1
1 360 . 2 1 1 A 28 28 ILE CA C 28 59.800 60.249 -0.449 1
1 361 . 2 1 1 A 28 28 ILE CB C 28 42.700 42.020 0.680 1
1 365 . 2 1 1 A 28 28 ILE N N 28 123.200 127.807 -4.607 1
1 366 . 2 1 1 A 29 29 GLU H H 29 8.430 8.673 -0.243 1
1 367 . 2 1 1 A 29 29 GLU HA H 29 5.430 4.901 0.529 1
1 372 . 2 1 1 A 29 29 GLU C C 29 176.000 175.756 0.244 1
1 373 . 2 1 1 A 29 29 GLU CA C 29 55.600 55.072 0.528 1
1 374 . 2 1 1 A 29 29 GLU CB C 29 31.200 31.134 0.066 1
1 376 . 2 1 1 A 29 29 GLU N N 29 123.900 126.250 -2.350 1
1 377 . 2 1 1 A 30 30 GLU H H 30 8.850 8.456 0.394 1
1 378 . 2 1 1 A 30 30 GLU HA H 30 4.730 4.944 -0.214 1
1 383 . 2 1 1 A 30 30 GLU C C 30 174.300 176.103 -1.803 1
1 384 . 2 1 1 A 30 30 GLU CA C 30 54.700 54.150 0.550 1
1 385 . 2 1 1 A 30 30 GLU CB C 30 34.400 33.938 0.462 1
1 387 . 2 1 1 A 30 30 GLU N N 30 121.900 123.783 -1.883 1
1 388 . 2 1 1 A 31 31 VAL H H 31 9.260 8.888 0.372 1
1 389 . 2 1 1 A 31 31 VAL HA H 31 4.250 3.979 0.271 1
1 397 . 2 1 1 A 31 31 VAL C C 31 177.700 176.511 1.189 1
1 398 . 2 1 1 A 31 31 VAL CA C 31 62.500 63.466 -0.966 1
1 399 . 2 1 1 A 31 31 VAL CB C 31 31.800 31.658 0.142 1
1 402 . 2 1 1 A 31 31 VAL N N 31 124.500 122.463 2.037 1
1 403 . 2 1 1 A 32 32 ALA H H 32 9.250 8.796 0.454 1
1 404 . 2 1 1 A 32 32 ALA HA H 32 3.710 4.007 -0.297 1
1 408 . 2 1 1 A 32 32 ALA C C 32 178.600 179.228 -0.628 1
1 409 . 2 1 1 A 32 32 ALA CA C 32 55.800 55.609 0.191 1
1 410 . 2 1 1 A 32 32 ALA CB C 32 19.400 18.137 1.263 1
1 411 . 2 1 1 A 32 32 ALA N N 32 129.900 128.544 1.356 1
1 412 . 2 1 1 A 33 33 ASP H H 33 9.510 7.863 1.647 1
1 413 . 2 1 1 A 33 33 ASP HA H 33 4.180 4.471 -0.291 1
1 416 . 2 1 1 A 33 33 ASP C C 33 176.300 177.662 -1.362 1
1 417 . 2 1 1 A 33 33 ASP CA C 33 54.600 56.115 -1.515 1
1 418 . 2 1 1 A 33 33 ASP CB C 33 39.200 40.657 -1.457 1
1 419 . 2 1 1 A 33 33 ASP N N 33 110.700 117.956 -7.256 1
1 420 . 2 1 1 A 34 34 ASP H H 34 7.830 8.026 -0.196 1
1 421 . 2 1 1 A 34 34 ASP HA H 34 4.650 4.665 -0.015 1
1 424 . 2 1 1 A 34 34 ASP C C 34 176.300 177.803 -1.503 1
1 425 . 2 1 1 A 34 34 ASP CA C 34 55.100 55.982 -0.882 1
1 426 . 2 1 1 A 34 34 ASP CB C 34 41.000 41.721 -0.721 1
1 427 . 2 1 1 A 34 34 ASP N N 34 114.700 118.935 -4.235 1
1 428 . 2 1 1 A 35 35 ILE H H 35 7.290 6.853 0.437 1
1 429 . 2 1 1 A 35 35 ILE HA H 35 4.490 4.304 0.186 1
1 439 . 2 1 1 A 35 35 ILE C C 35 174.100 175.259 -1.159 1
1 440 . 2 1 1 A 35 35 ILE CA C 35 60.700 61.442 -0.742 1
1 441 . 2 1 1 A 35 35 ILE CB C 35 40.600 38.095 2.505 1
1 445 . 2 1 1 A 35 35 ILE N N 35 113.400 112.465 0.935 1
1 446 . 2 1 1 A 36 36 LEU H H 36 7.730 8.377 -0.647 1
1 447 . 2 1 1 A 36 36 LEU HA H 36 4.800 4.792 0.008 1
1 457 . 2 1 1 A 36 36 LEU CA C 36 52.200 51.580 0.620 1
1 458 . 2 1 1 A 36 36 LEU CB C 36 42.700 43.156 -0.456 1
1 462 . 2 1 1 A 36 36 LEU N N 36 120.400 124.138 -3.738 1
1 463 . 2 1 1 A 37 37 PRO HA H 37 4.440 4.562 -0.122 1
1 470 . 2 1 1 A 37 37 PRO C C 37 177.100 177.254 -0.154 1
1 471 . 2 1 1 A 37 37 PRO CA C 37 63.100 62.884 0.216 1
1 472 . 2 1 1 A 37 37 PRO CB C 37 32.700 32.743 -0.043 1
1 475 . 2 1 1 A 38 38 ASP H H 38 8.690 8.805 -0.115 1
1 476 . 2 1 1 A 38 38 ASP HA H 38 4.230 4.465 -0.235 1
1 479 . 2 1 1 A 38 38 ASP C C 38 177.800 178.150 -0.350 1
1 480 . 2 1 1 A 38 38 ASP CA C 38 57.900 56.319 1.581 1
1 481 . 2 1 1 A 38 38 ASP CB C 38 42.200 40.114 2.086 1
1 482 . 2 1 1 A 38 38 ASP N N 38 123.800 123.046 0.754 1
1 483 . 2 1 1 A 39 39 GLN H H 39 9.080 7.938 1.142 1
1 484 . 2 1 1 A 39 39 GLN HA H 39 3.990 3.908 0.082 1
1 491 . 2 1 1 A 39 39 GLN C C 39 176.400 176.536 -0.136 1
1 492 . 2 1 1 A 39 39 GLN CA C 39 58.000 58.934 -0.934 1
1 493 . 2 1 1 A 39 39 GLN CB C 39 27.300 28.169 -0.869 1
1 496 . 2 1 1 A 39 39 GLN N N 39 115.100 118.381 -3.281 1
1 498 . 2 1 1 A 40 40 TYR H H 40 7.510 7.888 -0.378 1
1 499 . 2 1 1 A 40 40 TYR HA H 40 4.730 4.739 -0.009 1
1 506 . 2 1 1 A 40 40 TYR C C 40 174.200 174.715 -0.515 1
1 507 . 2 1 1 A 40 40 TYR CA C 40 57.000 57.761 -0.761 1
1 508 . 2 1 1 A 40 40 TYR CB C 40 39.400 39.592 -0.192 1
1 513 . 2 1 1 A 40 40 TYR N N 40 116.800 113.655 3.145 1
1 514 . 2 1 1 A 41 41 VAL H H 41 7.370 7.153 0.217 1
1 515 . 2 1 1 A 41 41 VAL HA H 41 4.000 4.269 -0.269 1
1 523 . 2 1 1 A 41 41 VAL C C 41 175.400 174.806 0.594 1
1 524 . 2 1 1 A 41 41 VAL CA C 41 62.800 61.421 1.379 1
1 525 . 2 1 1 A 41 41 VAL CB C 41 34.300 31.924 2.376 1
1 528 . 2 1 1 A 41 41 VAL N N 41 116.100 120.488 -4.388 1
1 529 . 2 1 1 A 42 42 ARG H H 42 7.990 8.698 -0.708 1
1 530 . 2 1 1 A 42 42 ARG HA H 42 3.970 4.570 -0.600 1
1 537 . 2 1 1 A 42 42 ARG C C 42 176.600 175.760 0.840 1
1 538 . 2 1 1 A 42 42 ARG CA C 42 58.500 54.437 4.063 1
1 539 . 2 1 1 A 42 42 ARG CB C 42 29.700 28.574 1.126 1
1 542 . 2 1 1 A 42 42 ARG N N 42 120.900 127.517 -6.617 1
1 543 . 2 1 1 A 43 43 LEU H H 43 8.930 7.902 1.028 1
1 544 . 2 1 1 A 43 43 LEU HA H 43 4.060 3.898 0.162 1
1 554 . 2 1 1 A 43 43 LEU C C 43 176.200 176.171 0.029 1
1 555 . 2 1 1 A 43 43 LEU CA C 43 56.100 56.072 0.028 1
1 556 . 2 1 1 A 43 43 LEU CB C 43 40.100 40.071 0.029 1
1 560 . 2 1 1 A 43 43 LEU N N 43 119.500 121.681 -2.181 1
1 561 . 2 1 1 A 44 44 GLY H H 44 7.890 8.042 -0.152 1
1 562 . 2 1 1 A 44 44 GLY HA2 H 44 3.930 4.074 -0.144 1
1 563 . 2 1 1 A 44 44 GLY HA3 H 44 4.540 4.075 0.465 1
1 564 . 2 1 1 A 44 44 GLY CA C 44 44.900 44.120 0.780 1
1 565 . 2 1 1 A 44 44 GLY N N 44 107.000 107.208 -0.208 1
1 566 . 2 1 1 A 45 45 PRO HA H 45 4.360 4.347 0.013 1
1 573 . 2 1 1 A 45 45 PRO C C 45 176.900 177.731 -0.831 1
1 574 . 2 1 1 A 45 45 PRO CA C 45 64.400 64.860 -0.460 1
1 575 . 2 1 1 A 45 45 PRO CB C 45 31.900 31.677 0.223 1
1 578 . 2 1 1 A 46 46 LEU H H 46 8.660 7.719 0.941 1
1 579 . 2 1 1 A 46 46 LEU HA H 46 3.970 4.358 -0.388 1
1 589 . 2 1 1 A 46 46 LEU C C 46 176.300 177.613 -1.313 1
1 590 . 2 1 1 A 46 46 LEU CA C 46 55.900 54.761 1.139 1
1 591 . 2 1 1 A 46 46 LEU CB C 46 43.500 41.267 2.233 1
1 595 . 2 1 1 A 46 46 LEU N N 46 117.000 117.666 -0.666 1
1 596 . 2 1 1 A 47 47 SER H H 47 7.160 8.251 -1.091 1
1 597 . 2 1 1 A 47 47 SER HA H 47 4.080 4.203 -0.123 1
1 600 . 2 1 1 A 47 47 SER C C 47 176.600 176.094 0.506 1
1 601 . 2 1 1 A 47 47 SER CA C 47 59.100 60.795 -1.695 1
1 602 . 2 1 1 A 47 47 SER CB C 47 62.800 62.767 0.033 1
1 603 . 2 1 1 A 47 47 SER N N 47 110.300 115.896 -5.596 1
1 604 . 2 1 1 A 48 48 ASN H H 48 11.000 8.034 2.966 1
1 605 . 2 1 1 A 48 48 ASN HA H 48 4.090 4.787 -0.697 1
1 610 . 2 1 1 A 48 48 ASN C C 48 174.700 174.978 -0.278 1
1 611 . 2 1 1 A 48 48 ASN CA C 48 55.200 52.629 2.571 1
1 612 . 2 1 1 A 48 48 ASN CB C 48 38.300 38.667 -0.367 1
1 614 . 2 1 1 A 48 48 ASN N N 48 123.200 121.322 1.878 1
1 616 . 2 1 1 A 49 49 LYS H H 49 7.830 7.564 0.266 1
1 617 . 2 1 1 A 49 49 LYS HA H 49 4.360 4.128 0.232 1
1 626 . 2 1 1 A 49 49 LYS C C 49 175.100 176.292 -1.192 1
1 627 . 2 1 1 A 49 49 LYS CA C 49 56.100 56.526 -0.426 1
1 628 . 2 1 1 A 49 49 LYS CB C 49 33.200 33.000 0.200 1
1 632 . 2 1 1 A 49 49 LYS N N 49 119.400 120.903 -1.503 1
1 633 . 2 1 1 A 50 50 ILE H H 50 8.570 8.577 -0.007 1
1 634 . 2 1 1 A 50 50 ILE HA H 50 4.160 4.336 -0.176 1
1 644 . 2 1 1 A 50 50 ILE C C 50 175.000 175.599 -0.599 1
1 645 . 2 1 1 A 50 50 ILE CA C 50 61.200 60.926 0.274 1
1 646 . 2 1 1 A 50 50 ILE CB C 50 36.900 37.680 -0.780 1
1 650 . 2 1 1 A 50 50 ILE N N 50 123.000 126.035 -3.035 1
1 651 . 2 1 1 A 51 51 LEU H H 51 9.270 8.831 0.439 1
1 652 . 2 1 1 A 51 51 LEU HA H 51 5.170 5.091 0.079 1
1 662 . 2 1 1 A 51 51 LEU C C 51 176.300 175.852 0.448 1
1 663 . 2 1 1 A 51 51 LEU CA C 51 52.500 53.324 -0.824 1
1 664 . 2 1 1 A 51 51 LEU CB C 51 42.600 44.911 -2.311 1
1 668 . 2 1 1 A 51 51 LEU N N 51 127.000 128.932 -1.932 1
1 669 . 2 1 1 A 52 52 GLN H H 52 9.110 7.988 1.122 1
1 670 . 2 1 1 A 52 52 GLN HA H 52 4.590 4.510 0.080 1
1 677 . 2 1 1 A 52 52 GLN C C 52 175.000 175.545 -0.545 1
1 678 . 2 1 1 A 52 52 GLN CA C 52 56.800 55.721 1.079 1
1 679 . 2 1 1 A 52 52 GLN CB C 52 29.200 28.449 0.751 1
1 682 . 2 1 1 A 52 52 GLN N N 52 122.700 122.062 0.638 1
1 684 . 2 1 1 A 53 53 THR H H 53 9.110 8.884 0.226 1
1 685 . 2 1 1 A 53 53 THR HA H 53 4.730 5.606 -0.876 1
1 690 . 2 1 1 A 53 53 THR C C 53 172.500 173.147 -0.647 1
1 691 . 2 1 1 A 53 53 THR CA C 53 60.500 60.656 -0.156 1
1 692 . 2 1 1 A 53 53 THR CB C 53 69.800 70.531 -0.731 1
1 694 . 2 1 1 A 53 53 THR N N 53 121.500 115.725 5.775 1
1 695 . 2 1 1 A 54 54 ASN H H 54 8.210 9.144 -0.934 1
1 696 . 2 1 1 A 54 54 ASN HA H 54 5.400 5.580 -0.180 1
1 701 . 2 1 1 A 54 54 ASN C C 54 172.900 173.845 -0.945 1
1 702 . 2 1 1 A 54 54 ASN CA C 54 52.400 51.899 0.501 1
1 703 . 2 1 1 A 54 54 ASN CB C 54 40.900 39.767 1.133 1
1 705 . 2 1 1 A 54 54 ASN N N 54 125.400 125.704 -0.304 1
1 707 . 2 1 1 A 55 55 THR H H 55 8.510 8.749 -0.239 1
1 708 . 2 1 1 A 55 55 THR HA H 55 5.120 5.160 -0.040 1
1 713 . 2 1 1 A 55 55 THR C C 55 172.800 173.482 -0.682 1
1 714 . 2 1 1 A 55 55 THR CA C 55 61.400 62.057 -0.657 1
1 715 . 2 1 1 A 55 55 THR CB C 55 69.700 70.248 -0.548 1
1 717 . 2 1 1 A 55 55 THR N N 55 119.300 120.789 -1.489 1
1 718 . 2 1 1 A 56 56 TYR H H 56 8.460 8.759 -0.299 1
1 719 . 2 1 1 A 56 56 TYR HA H 56 5.260 5.608 -0.348 1
1 726 . 2 1 1 A 56 56 TYR C C 56 173.400 174.196 -0.796 1
1 727 . 2 1 1 A 56 56 TYR CA C 56 57.500 56.128 1.372 1
1 728 . 2 1 1 A 56 56 TYR CB C 56 41.400 40.884 0.516 1
1 733 . 2 1 1 A 56 56 TYR N N 56 125.400 125.464 -0.064 1
1 734 . 2 1 1 A 57 57 TYR H H 57 8.450 8.871 -0.421 1
1 735 . 2 1 1 A 57 57 TYR HA H 57 4.530 5.240 -0.710 1
1 742 . 2 1 1 A 57 57 TYR C C 57 172.400 174.761 -2.361 1
1 743 . 2 1 1 A 57 57 TYR CA C 57 56.600 55.982 0.618 1
1 744 . 2 1 1 A 57 57 TYR CB C 57 41.700 41.203 0.497 1
1 749 . 2 1 1 A 57 57 TYR N N 57 113.900 121.808 -7.908 1
1 750 . 2 1 1 A 58 58 SER H H 58 7.100 8.738 -1.638 1
1 751 . 2 1 1 A 58 58 SER HA H 58 4.750 5.023 -0.273 1
1 754 . 2 1 1 A 58 58 SER C C 58 173.800 174.306 -0.506 1
1 755 . 2 1 1 A 58 58 SER CA C 58 56.600 57.636 -1.036 1
1 756 . 2 1 1 A 58 58 SER CB C 58 65.600 67.017 -1.417 1
1 757 . 2 1 1 A 58 58 SER N N 58 114.200 118.869 -4.669 1
1 758 . 2 1 1 A 59 59 ASP H H 59 9.140 8.902 0.238 1
1 759 . 2 1 1 A 59 59 ASP HA H 59 4.550 4.432 0.118 1
1 762 . 2 1 1 A 59 59 ASP C C 59 179.000 177.927 1.073 1
1 763 . 2 1 1 A 59 59 ASP CA C 59 58.500 57.706 0.794 1
1 764 . 2 1 1 A 59 59 ASP CB C 59 40.400 40.675 -0.275 1
1 765 . 2 1 1 A 59 59 ASP N N 59 121.800 124.218 -2.418 1
1 766 . 2 1 1 A 60 60 THR H H 60 9.060 8.176 0.884 1
1 767 . 2 1 1 A 60 60 THR HA H 60 4.000 3.954 0.046 1
1 772 . 2 1 1 A 60 60 THR C C 60 178.000 177.502 0.498 1
1 773 . 2 1 1 A 60 60 THR CA C 60 67.300 66.014 1.286 1
1 774 . 2 1 1 A 60 60 THR CB C 60 67.300 68.386 -1.086 1
1 776 . 2 1 1 A 60 60 THR N N 60 114.800 115.272 -0.472 1
1 777 . 2 1 1 A 61 61 LEU H H 61 7.950 7.957 -0.007 1
1 778 . 2 1 1 A 61 61 LEU HA H 61 3.610 3.637 -0.027 1
1 788 . 2 1 1 A 61 61 LEU C C 61 178.900 179.036 -0.136 1
1 789 . 2 1 1 A 61 61 LEU CA C 61 58.600 57.595 1.005 1
1 790 . 2 1 1 A 61 61 LEU CB C 61 39.500 41.483 -1.983 1
1 794 . 2 1 1 A 61 61 LEU N N 61 126.100 122.529 3.571 1
1 795 . 2 1 1 A 62 62 HIS H H 62 8.260 7.765 0.495 1
1 796 . 2 1 1 A 62 62 HIS HA H 62 4.470 4.235 0.235 1
1 800 . 2 1 1 A 62 62 HIS C C 62 178.900 178.006 0.894 1
1 801 . 2 1 1 A 62 62 HIS CA C 62 58.600 59.556 -0.956 1
1 802 . 2 1 1 A 62 62 HIS CB C 62 29.500 29.989 -0.489 1
1 804 . 2 1 1 A 62 62 HIS N N 62 116.000 117.236 -1.236 1
1 805 . 2 1 1 A 63 63 LYS H H 63 7.790 8.050 -0.260 1
1 806 . 2 1 1 A 63 63 LYS HA H 63 3.960 3.928 0.032 1
1 815 . 2 1 1 A 63 63 LYS C C 63 177.900 178.283 -0.383 1
1 816 . 2 1 1 A 63 63 LYS CA C 63 59.200 59.599 -0.399 1
1 817 . 2 1 1 A 63 63 LYS CB C 63 32.400 32.172 0.228 1
1 821 . 2 1 1 A 63 63 LYS N N 63 119.100 119.258 -0.158 1
1 822 . 2 1 1 A 64 64 SER H H 64 7.580 7.850 -0.270 1
1 823 . 2 1 1 A 64 64 SER HA H 64 4.260 4.443 -0.183 1
1 826 . 2 1 1 A 64 64 SER C C 64 172.100 173.531 -1.431 1
1 827 . 2 1 1 A 64 64 SER CA C 64 59.300 58.110 1.190 1
1 828 . 2 1 1 A 64 64 SER CB C 64 63.600 63.102 0.498 1
1 829 . 2 1 1 A 64 64 SER N N 64 112.470 111.426 1.044 1
1 830 . 2 1 1 A 65 65 ASN H H 65 7.760 8.280 -0.520 1
1 831 . 2 1 1 A 65 65 ASN HA H 65 3.870 4.103 -0.233 1
1 836 . 2 1 1 A 65 65 ASN C C 65 171.100 173.267 -2.167 1
1 837 . 2 1 1 A 65 65 ASN CA C 65 54.300 54.036 0.264 1
1 838 . 2 1 1 A 65 65 ASN CB C 65 37.500 37.293 0.207 1
1 840 . 2 1 1 A 65 65 ASN N N 65 117.600 118.383 -0.783 1
1 842 . 2 1 1 A 66 66 ILE H H 66 6.820 6.969 -0.149 1
1 843 . 2 1 1 A 66 66 ILE HA H 66 4.590 4.479 0.111 1
1 853 . 2 1 1 A 66 66 ILE C C 66 174.000 173.820 0.180 1
1 854 . 2 1 1 A 66 66 ILE CA C 66 58.200 59.855 -1.655 1
1 855 . 2 1 1 A 66 66 ILE CB C 66 40.200 39.965 0.235 1
1 859 . 2 1 1 A 66 66 ILE N N 66 113.900 118.963 -5.063 1
1 860 . 2 1 1 A 67 67 TYR H H 67 8.530 7.852 0.678 1
1 861 . 2 1 1 A 67 67 TYR HA H 67 5.050 5.340 -0.290 1
1 868 . 2 1 1 A 67 67 TYR CA C 67 54.000 54.512 -0.512 1
1 869 . 2 1 1 A 67 67 TYR CB C 67 39.400 38.912 0.488 1
1 874 . 2 1 1 A 67 67 TYR N N 67 120.200 125.404 -5.204 1
1 875 . 2 1 1 A 68 68 PRO HA H 68 5.120 4.880 0.240 1
1 882 . 2 1 1 A 68 68 PRO C C 68 174.600 176.737 -2.137 1
1 883 . 2 1 1 A 68 68 PRO CA C 68 61.500 62.841 -1.341 1
1 884 . 2 1 1 A 68 68 PRO CB C 68 32.200 32.994 -0.794 1
1 887 . 2 1 1 A 69 69 PHE H H 69 8.870 8.657 0.213 1
1 888 . 2 1 1 A 69 69 PHE HA H 69 6.330 5.594 0.736 1
1 896 . 2 1 1 A 69 69 PHE C C 69 173.000 172.722 0.278 1
1 897 . 2 1 1 A 69 69 PHE CA C 69 56.300 56.020 0.280 1
1 898 . 2 1 1 A 69 69 PHE CB C 69 42.900 42.234 0.666 1
1 903 . 2 1 1 A 69 69 PHE N N 69 118.400 118.103 0.297 1
1 904 . 2 1 1 A 70 70 ILE H H 70 9.060 8.746 0.314 1
1 905 . 2 1 1 A 70 70 ILE HA H 70 4.840 4.785 0.055 1
1 915 . 2 1 1 A 70 70 ILE C C 70 175.700 174.916 0.784 1
1 916 . 2 1 1 A 70 70 ILE CA C 70 61.900 60.339 1.561 1
1 917 . 2 1 1 A 70 70 ILE CB C 70 43.000 42.094 0.906 1
1 921 . 2 1 1 A 70 70 ILE N N 70 117.700 121.588 -3.888 1
1 922 . 2 1 1 A 71 71 LEU H H 71 9.320 9.571 -0.251 1
1 923 . 2 1 1 A 71 71 LEU HA H 71 5.720 5.403 0.317 1
1 933 . 2 1 1 A 71 71 LEU C C 71 175.600 175.771 -0.171 1
1 934 . 2 1 1 A 71 71 LEU CA C 71 52.400 53.633 -1.233 1
1 935 . 2 1 1 A 71 71 LEU CB C 71 43.700 43.265 0.435 1
1 939 . 2 1 1 A 71 71 LEU N N 71 124.800 127.009 -2.209 1
1 940 . 2 1 1 A 72 72 TYR H H 72 9.250 8.412 0.838 1
1 941 . 2 1 1 A 72 72 TYR HA H 72 5.350 5.374 -0.024 1
1 948 . 2 1 1 A 72 72 TYR C C 72 174.100 172.405 1.695 1
1 949 . 2 1 1 A 72 72 TYR CA C 72 57.300 55.997 1.303 1
1 950 . 2 1 1 A 72 72 TYR CB C 72 44.500 41.178 3.322 1
1 955 . 2 1 1 A 72 72 TYR N N 72 120.700 121.309 -0.609 1
1 956 . 2 1 1 A 73 73 TYR H H 73 9.250 9.310 -0.060 1
1 957 . 2 1 1 A 73 73 TYR HA H 73 5.110 5.034 0.076 1
1 964 . 2 1 1 A 73 73 TYR C C 73 174.500 177.037 -2.537 1
1 965 . 2 1 1 A 73 73 TYR CA C 73 56.500 56.314 0.186 1
1 966 . 2 1 1 A 73 73 TYR CB C 73 40.400 41.093 -0.693 1
1 971 . 2 1 1 A 73 73 TYR N N 73 120.300 121.020 -0.720 1
1 972 . 2 1 1 A 74 74 GLN H H 74 9.310 7.724 1.586 1
1 973 . 2 1 1 A 74 74 GLN HA H 74 3.530 4.005 -0.475 1
1 980 . 2 1 1 A 74 74 GLN C C 74 175.400 176.362 -0.962 1
1 981 . 2 1 1 A 74 74 GLN CA C 74 57.200 56.902 0.298 1
1 982 . 2 1 1 A 74 74 GLN CB C 74 25.500 27.055 -1.555 1
1 985 . 2 1 1 A 74 74 GLN N N 74 126.000 122.759 3.241 1
1 987 . 2 1 1 A 75 75 LYS H H 75 8.530 8.233 0.297 1
1 988 . 2 1 1 A 75 75 LYS HA H 75 3.820 4.643 -0.823 1
1 997 . 2 1 1 A 75 75 LYS C C 75 175.500 175.995 -0.495 1
1 998 . 2 1 1 A 75 75 LYS CA C 75 57.300 57.613 -0.313 1
1 999 . 2 1 1 A 75 75 LYS CB C 75 30.900 35.356 -4.456 1
1 1003 . 2 1 1 A 75 75 LYS N N 75 113.600 119.510 -5.910 1
1 1004 . 2 1 1 A 76 76 GLN H H 76 8.550 7.782 0.768 1
1 1005 . 2 1 1 A 76 76 GLN HA H 76 4.470 4.626 -0.156 1
1 1012 . 2 1 1 A 76 76 GLN C C 76 175.400 173.440 1.960 1
1 1013 . 2 1 1 A 76 76 GLN CA C 76 54.700 54.835 -0.135 1
1 1014 . 2 1 1 A 76 76 GLN CB C 76 29.900 30.147 -0.247 1
1 1017 . 2 1 1 A 76 76 GLN N N 76 122.200 113.622 8.578 1
1 1019 . 2 1 1 A 77 77 LEU H H 77 8.860 8.592 0.268 1
1 1020 . 2 1 1 A 77 77 LEU HA H 77 3.940 4.461 -0.521 1
1 1030 . 2 1 1 A 77 77 LEU C C 77 175.300 176.381 -1.081 1
1 1031 . 2 1 1 A 77 77 LEU CA C 77 56.800 56.462 0.338 1
1 1032 . 2 1 1 A 77 77 LEU CB C 77 41.800 42.556 -0.756 1
1 1036 . 2 1 1 A 77 77 LEU N N 77 128.900 122.224 6.676 1
1 1037 . 2 1 1 A 78 78 ILE H H 78 8.880 9.154 -0.274 1
1 1038 . 2 1 1 A 78 78 ILE HA H 78 4.810 4.170 0.640 1
1 1048 . 2 1 1 A 78 78 ILE C C 78 174.600 175.996 -1.396 1
1 1049 . 2 1 1 A 78 78 ILE CA C 78 58.300 62.562 -4.262 1
1 1050 . 2 1 1 A 78 78 ILE CB C 78 38.270 38.680 -0.410 1
1 1054 . 2 1 1 A 78 78 ILE N N 78 126.900 127.005 -0.105 1
1 1055 . 2 1 1 A 79 79 ALA H H 79 7.940 7.930 0.010 1
1 1056 . 2 1 1 A 79 79 ALA HA H 79 5.390 4.831 0.559 1
1 1060 . 2 1 1 A 79 79 ALA C C 79 175.300 174.896 0.404 1
1 1061 . 2 1 1 A 79 79 ALA CA C 79 51.600 51.771 -0.171 1
1 1062 . 2 1 1 A 79 79 ALA CB C 79 24.000 22.582 1.418 1
1 1063 . 2 1 1 A 79 79 ALA N N 79 115.000 118.261 -3.261 1
1 1064 . 2 1 1 A 80 80 ILE H H 80 8.580 8.228 0.352 1
1 1065 . 2 1 1 A 80 80 ILE HA H 80 4.840 5.003 -0.163 1
1 1075 . 2 1 1 A 80 80 ILE C C 80 175.000 175.112 -0.112 1
1 1076 . 2 1 1 A 80 80 ILE CA C 80 60.300 58.849 1.451 1
1 1077 . 2 1 1 A 80 80 ILE CB C 80 42.800 41.653 1.147 1
1 1081 . 2 1 1 A 80 80 ILE N N 80 117.900 115.119 2.781 1
1 1082 . 2 1 1 A 81 81 GLY H H 81 8.200 7.448 0.752 1
1 1083 . 2 1 1 A 81 81 GLY HA2 H 81 3.750 3.867 -0.117 1
1 1084 . 2 1 1 A 81 81 GLY HA3 H 81 4.070 4.120 -0.050 1
1 1085 . 2 1 1 A 81 81 GLY C C 81 169.100 171.373 -2.273 1
1 1086 . 2 1 1 A 81 81 GLY CA C 81 46.600 45.475 1.125 1
1 1087 . 2 1 1 A 81 81 GLY N N 81 116.400 109.337 7.063 1
1 1088 . 2 1 1 A 82 82 PHE H H 82 8.210 8.264 -0.054 1
1 1089 . 2 1 1 A 82 82 PHE HA H 82 5.340 5.397 -0.057 1
1 1094 . 2 1 1 A 82 82 PHE C C 82 172.400 172.204 0.196 1
1 1095 . 2 1 1 A 82 82 PHE CA C 82 56.300 55.970 0.330 1
1 1096 . 2 1 1 A 82 82 PHE CB C 82 40.100 41.753 -1.653 1
1 1099 . 2 1 1 A 82 82 PHE N N 82 114.500 113.071 1.429 1
1 1100 . 2 1 1 A 83 83 ILE H H 83 8.490 9.071 -0.581 1
1 1101 . 2 1 1 A 83 83 ILE HA H 83 4.740 4.659 0.081 1
1 1111 . 2 1 1 A 83 83 ILE C C 83 175.200 175.754 -0.554 1
1 1112 . 2 1 1 A 83 83 ILE CA C 83 60.400 60.041 0.359 1
1 1113 . 2 1 1 A 83 83 ILE CB C 83 39.500 39.132 0.368 1
1 1117 . 2 1 1 A 83 83 ILE N N 83 123.400 120.849 2.551 1
1 1118 . 2 1 1 A 84 84 ASP H H 84 8.550 8.682 -0.132 1
1 1119 . 2 1 1 A 84 84 ASP HA H 84 5.170 5.061 0.109 1
1 1122 . 2 1 1 A 84 84 ASP C C 84 178.600 178.307 0.293 1
1 1123 . 2 1 1 A 84 84 ASP CA C 84 52.200 52.249 -0.049 1
1 1124 . 2 1 1 A 84 84 ASP CB C 84 42.400 41.653 0.747 1
1 1125 . 2 1 1 A 84 84 ASP N N 84 126.900 127.519 -0.619 1
1 1126 . 2 1 1 A 85 85 GLU H H 85 9.250 9.060 0.190 1
1 1127 . 2 1 1 A 85 85 GLU HA H 85 4.350 4.286 0.064 1
1 1132 . 2 1 1 A 85 85 GLU C C 85 176.800 177.355 -0.555 1
1 1133 . 2 1 1 A 85 85 GLU CA C 85 58.400 58.708 -0.308 1
1 1134 . 2 1 1 A 85 85 GLU CB C 85 28.700 29.159 -0.459 1
1 1136 . 2 1 1 A 85 85 GLU N N 85 118.000 118.123 -0.123 1
1 1137 . 2 1 1 A 86 86 ASN H H 86 8.280 7.975 0.305 1
1 1138 . 2 1 1 A 86 86 ASN HA H 86 4.760 4.910 -0.150 1
1 1143 . 2 1 1 A 86 86 ASN C C 86 174.600 175.468 -0.868 1
1 1144 . 2 1 1 A 86 86 ASN CA C 86 52.800 53.065 -0.265 1
1 1145 . 2 1 1 A 86 86 ASN CB C 86 38.900 38.767 0.133 1
1 1147 . 2 1 1 A 86 86 ASN N N 86 118.300 117.298 1.002 1
1 1149 . 2 1 1 A 87 87 HIS H H 87 8.570 8.456 0.114 1
1 1150 . 2 1 1 A 87 87 HIS HA H 87 3.940 4.559 -0.619 1
1 1154 . 2 1 1 A 87 87 HIS C C 87 173.600 174.197 -0.597 1
1 1155 . 2 1 1 A 87 87 HIS CA C 87 57.000 56.946 0.054 1
1 1156 . 2 1 1 A 87 87 HIS CB C 87 26.700 29.827 -3.127 1
1 1158 . 2 1 1 A 87 87 HIS N N 87 114.000 117.644 -3.644 1
1 1159 . 2 1 1 A 88 88 ASP H H 88 8.210 8.991 -0.781 1
1 1160 . 2 1 1 A 88 88 ASP HA H 88 4.840 4.320 0.520 1
1 1163 . 2 1 1 A 88 88 ASP C C 88 174.800 174.760 0.040 1
1 1164 . 2 1 1 A 88 88 ASP CA C 88 53.900 54.731 -0.831 1
1 1165 . 2 1 1 A 88 88 ASP CB C 88 41.500 39.825 1.675 1
1 1166 . 2 1 1 A 88 88 ASP N N 88 120.300 121.152 -0.852 1
1 1167 . 2 1 1 A 89 89 MET H H 89 8.550 8.713 -0.163 1
1 1168 . 2 1 1 A 89 89 MET HA H 89 4.450 4.516 -0.066 1
1 1176 . 2 1 1 A 89 89 MET C C 89 173.400 174.782 -1.382 1
1 1177 . 2 1 1 A 89 89 MET CA C 89 55.800 53.948 1.852 1
1 1178 . 2 1 1 A 89 89 MET CB C 89 34.700 32.030 2.670 1
1 1181 . 2 1 1 A 89 89 MET N N 89 120.400 123.192 -2.792 1
1 1182 . 2 1 1 A 90 90 ASP H H 90 8.420 8.042 0.378 1
1 1183 . 2 1 1 A 90 90 ASP HA H 90 4.580 4.672 -0.092 1
1 1186 . 2 1 1 A 90 90 ASP C C 90 174.600 174.278 0.322 1
1 1187 . 2 1 1 A 90 90 ASP CA C 90 52.300 52.062 0.238 1
1 1188 . 2 1 1 A 90 90 ASP CB C 90 41.800 40.913 0.887 1
1 1189 . 2 1 1 A 90 90 ASP N N 90 126.900 123.907 2.993 1
1 1190 . 2 1 1 A 91 91 PHE H H 91 8.350 8.773 -0.423 1
1 1191 . 2 1 1 A 91 91 PHE HA H 91 4.780 4.934 -0.154 1
1 1199 . 2 1 1 A 91 91 PHE C C 91 175.600 175.325 0.275 1
1 1200 . 2 1 1 A 91 91 PHE CA C 91 58.200 56.578 1.622 1
1 1201 . 2 1 1 A 91 91 PHE CB C 91 41.400 40.252 1.148 1
1 1207 . 2 1 1 A 91 91 PHE N N 91 118.600 124.859 -6.259 1
1 1208 . 2 1 1 A 92 92 LEU H H 92 9.060 8.731 0.329 1
1 1209 . 2 1 1 A 92 92 LEU HA H 92 4.330 4.542 -0.212 1
1 1219 . 2 1 1 A 92 92 LEU C C 92 175.700 176.572 -0.872 1
1 1220 . 2 1 1 A 92 92 LEU CA C 92 55.200 55.550 -0.350 1
1 1221 . 2 1 1 A 92 92 LEU CB C 92 43.500 43.195 0.305 1
1 1225 . 2 1 1 A 92 92 LEU N N 92 121.100 124.630 -3.530 1
1 1226 . 2 1 1 A 93 93 TYR H H 93 7.970 7.633 0.337 1
1 1227 . 2 1 1 A 93 93 TYR HA H 93 4.780 4.880 -0.100 1
1 1234 . 2 1 1 A 93 93 TYR C C 93 172.800 173.077 -0.277 1
1 1235 . 2 1 1 A 93 93 TYR CA C 93 57.600 58.004 -0.404 1
1 1236 . 2 1 1 A 93 93 TYR CB C 93 42.500 41.472 1.028 1
1 1241 . 2 1 1 A 93 93 TYR N N 93 118.600 117.716 0.884 1
1 1242 . 2 1 1 A 94 94 LEU H H 94 8.220 8.359 -0.139 1
1 1243 . 2 1 1 A 94 94 LEU HA H 94 5.060 4.935 0.125 1
1 1253 . 2 1 1 A 94 94 LEU C C 94 171.900 174.137 -2.237 1
1 1254 . 2 1 1 A 94 94 LEU CA C 94 55.100 53.158 1.942 1
1 1255 . 2 1 1 A 94 94 LEU CB C 94 44.800 45.036 -0.236 1
1 1259 . 2 1 1 A 94 94 LEU N N 94 128.600 130.342 -1.742 1
1 1260 . 2 1 1 A 95 95 HIS H H 95 9.720 8.961 0.759 1
1 1261 . 2 1 1 A 95 95 HIS HA H 95 4.570 5.048 -0.478 1
1 1266 . 2 1 1 A 95 95 HIS C C 95 173.100 173.219 -0.119 1
1 1267 . 2 1 1 A 95 95 HIS CA C 95 55.500 53.856 1.644 1
1 1268 . 2 1 1 A 95 95 HIS CB C 95 35.900 32.864 3.036 1
1 1271 . 2 1 1 A 95 95 HIS N N 95 133.000 126.014 6.986 1
1 1272 . 2 1 1 A 96 96 ASN H H 96 7.670 8.959 -1.289 1
1 1273 . 2 1 1 A 96 96 ASN HA H 96 4.930 4.899 0.031 1
1 1278 . 2 1 1 A 96 96 ASN C C 96 176.100 176.735 -0.635 1
1 1279 . 2 1 1 A 96 96 ASN CA C 96 51.000 52.667 -1.667 1
1 1280 . 2 1 1 A 96 96 ASN CB C 96 38.500 39.510 -1.010 1
1 1281 . 2 1 1 A 96 96 ASN N N 96 118.600 124.482 -5.882 1
1 1283 . 2 1 1 A 97 97 THR H H 97 10.580 8.793 1.787 1
1 1284 . 2 1 1 A 97 97 THR HA H 97 4.090 3.849 0.241 1
1 1289 . 2 1 1 A 97 97 THR C C 97 174.600 175.953 -1.353 1
1 1290 . 2 1 1 A 97 97 THR CA C 97 67.000 64.883 2.117 1
1 1291 . 2 1 1 A 97 97 THR CB C 97 68.300 68.271 0.029 1
1 1293 . 2 1 1 A 97 97 THR N N 97 116.300 117.039 -0.739 1
1 1294 . 2 1 1 A 98 98 VAL H H 98 8.440 7.763 0.677 1
1 1295 . 2 1 1 A 98 98 VAL HA H 98 4.180 4.244 -0.064 1
1 1303 . 2 1 1 A 98 98 VAL C C 98 174.800 175.776 -0.976 1
1 1304 . 2 1 1 A 98 98 VAL CA C 98 64.400 64.321 0.079 1
1 1305 . 2 1 1 A 98 98 VAL CB C 98 33.100 33.701 -0.601 1
1 1308 . 2 1 1 A 98 98 VAL N N 98 123.900 119.894 4.006 1
1 1309 . 2 1 1 A 99 99 MET H H 99 8.590 7.732 0.858 1
1 1310 . 2 1 1 A 99 99 MET HA H 99 4.720 4.806 -0.086 1
1 1318 . 2 1 1 A 99 99 MET CA C 99 52.400 53.797 -1.397 1
1 1319 . 2 1 1 A 99 99 MET CB C 99 34.100 35.006 -0.906 1
1 1322 . 2 1 1 A 99 99 MET N N 99 118.700 115.883 2.817 1
1 1323 . 2 1 1 A 100 100 PRO HA H 100 4.210 4.555 -0.345 1
1 1330 . 2 1 1 A 100 100 PRO C C 100 175.900 176.441 -0.541 1
1 1331 . 2 1 1 A 100 100 PRO CA C 100 62.100 62.775 -0.675 1
1 1332 . 2 1 1 A 100 100 PRO CB C 100 31.000 32.162 -1.162 1
1 1335 . 2 1 1 A 101 101 LEU H H 101 9.010 8.754 0.256 1
1 1336 . 2 1 1 A 101 101 LEU HA H 101 4.310 4.357 -0.047 1
1 1346 . 2 1 1 A 101 101 LEU C C 101 176.900 176.911 -0.011 1
1 1347 . 2 1 1 A 101 101 LEU CA C 101 55.000 56.520 -1.520 1
1 1348 . 2 1 1 A 101 101 LEU CB C 101 42.800 42.612 0.188 1
1 1352 . 2 1 1 A 101 101 LEU N N 101 124.000 119.887 4.113 1
1 1353 . 2 1 1 A 102 102 LEU H H 102 7.620 7.574 0.046 1
1 1354 . 2 1 1 A 102 102 LEU HA H 102 4.360 4.936 -0.576 1
1 1364 . 2 1 1 A 102 102 LEU C C 102 174.800 175.476 -0.676 1
1 1365 . 2 1 1 A 102 102 LEU CA C 102 54.900 53.437 1.463 1
1 1366 . 2 1 1 A 102 102 LEU CB C 102 45.300 45.368 -0.068 1
1 1370 . 2 1 1 A 102 102 LEU N N 102 119.000 117.489 1.511 1
1 1371 . 2 1 1 A 103 103 ASP H H 103 9.120 8.593 0.527 1
1 1372 . 2 1 1 A 103 103 ASP HA H 103 5.100 5.184 -0.084 1
1 1375 . 2 1 1 A 103 103 ASP C C 103 174.500 174.622 -0.122 1
1 1376 . 2 1 1 A 103 103 ASP CA C 103 54.900 53.959 0.941 1
1 1377 . 2 1 1 A 103 103 ASP CB C 103 41.000 41.697 -0.697 1
1 1378 . 2 1 1 A 103 103 ASP N N 103 120.700 123.552 -2.852 1
1 1379 . 2 1 1 A 104 104 GLN H H 104 8.990 8.873 0.117 1
1 1380 . 2 1 1 A 104 104 GLN HA H 104 4.710 4.849 -0.139 1
1 1387 . 2 1 1 A 104 104 GLN C C 104 176.100 176.103 -0.003 1
1 1388 . 2 1 1 A 104 104 GLN CA C 104 54.100 54.992 -0.892 1
1 1389 . 2 1 1 A 104 104 GLN CB C 104 28.500 30.636 -2.136 1
1 1392 . 2 1 1 A 104 104 GLN N N 104 125.400 125.364 0.036 1
1 1394 . 2 1 1 A 105 105 ARG H H 105 8.380 8.765 -0.385 1
1 1395 . 2 1 1 A 105 105 ARG HA H 105 3.510 3.866 -0.356 1
1 1402 . 2 1 1 A 105 105 ARG C C 105 177.500 178.016 -0.516 1
1 1403 . 2 1 1 A 105 105 ARG CA C 105 60.200 59.589 0.611 1
1 1404 . 2 1 1 A 105 105 ARG CB C 105 29.400 29.634 -0.234 1
1 1407 . 2 1 1 A 105 105 ARG N N 105 117.700 125.913 -8.213 1
1 1408 . 2 1 1 A 106 106 TYR H H 106 7.800 7.676 0.124 1
1 1409 . 2 1 1 A 106 106 TYR HA H 106 4.360 4.401 -0.041 1
1 1416 . 2 1 1 A 106 106 TYR C C 106 176.800 178.416 -1.616 1
1 1417 . 2 1 1 A 106 106 TYR CA C 106 58.600 60.293 -1.693 1
1 1418 . 2 1 1 A 106 106 TYR CB C 106 36.000 38.446 -2.446 1
1 1423 . 2 1 1 A 106 106 TYR N N 106 118.100 119.278 -1.178 1
1 1424 . 2 1 1 A 107 107 LEU H H 107 7.170 8.493 -1.323 1
1 1425 . 2 1 1 A 107 107 LEU HA H 107 3.970 4.038 -0.068 1
1 1435 . 2 1 1 A 107 107 LEU C C 107 178.300 178.993 -0.693 1
1 1436 . 2 1 1 A 107 107 LEU CA C 107 56.600 57.998 -1.398 1
1 1437 . 2 1 1 A 107 107 LEU CB C 107 41.800 41.632 0.168 1
1 1441 . 2 1 1 A 107 107 LEU N N 107 121.900 120.496 1.404 1
1 1442 . 2 1 1 A 108 108 LEU H H 108 7.680 7.669 0.011 1
1 1443 . 2 1 1 A 108 108 LEU HA H 108 4.070 3.708 0.362 1
1 1453 . 2 1 1 A 108 108 LEU C C 108 177.500 178.365 -0.865 1
1 1454 . 2 1 1 A 108 108 LEU CA C 108 55.400 58.098 -2.698 1
1 1455 . 2 1 1 A 108 108 LEU CB C 108 41.500 41.634 -0.134 1
1 1459 . 2 1 1 A 108 108 LEU N N 108 115.400 120.045 -4.645 1
1 1460 . 2 1 1 A 109 109 THR H H 109 7.510 8.302 -0.792 1
1 1461 . 2 1 1 A 109 109 THR HA H 109 4.310 4.535 -0.225 1
1 1466 . 2 1 1 A 109 109 THR C C 109 175.300 175.378 -0.078 1
1 1467 . 2 1 1 A 109 109 THR CA C 109 61.600 62.033 -0.433 1
1 1468 . 2 1 1 A 109 109 THR CB C 109 69.500 69.159 0.341 1
1 1470 . 2 1 1 A 109 109 THR N N 109 108.800 110.324 -1.524 1
1 1471 . 2 1 1 A 110 110 GLY H H 110 8.010 8.311 -0.301 1
1 1472 . 2 1 1 A 110 110 GLY HA2 H 110 3.950 4.150 -0.200 1
1 1473 . 2 1 1 A 110 110 GLY HA3 H 110 4.030 4.183 -0.153 1
1 1474 . 2 1 1 A 110 110 GLY C C 110 174.500 174.914 -0.414 1
1 1475 . 2 1 1 A 110 110 GLY CA C 110 45.400 45.547 -0.147 1
1 1476 . 2 1 1 A 110 110 GLY N N 110 110.100 109.623 0.477 1
1 1477 . 2 1 1 A 111 111 GLY H H 111 8.310 8.800 -0.490 1
1 1478 . 2 1 1 A 111 111 GLY HA2 H 111 3.930 4.088 -0.158 1
1 1479 . 2 1 1 A 111 111 GLY HA3 H 111 3.930 4.137 -0.207 1
1 1480 . 2 1 1 A 111 111 GLY C C 111 173.700 173.422 0.278 1
1 1481 . 2 1 1 A 111 111 GLY CA C 111 45.400 45.362 0.038 1
1 1482 . 2 1 1 A 111 111 GLY N N 111 108.300 108.374 -0.074 1
1 1483 . 2 1 1 A 112 112 GLN H H 112 8.280 8.439 -0.159 1
1 1484 . 2 1 1 A 112 112 GLN HA H 112 4.270 4.327 -0.057 1
1 1491 . 2 1 1 A 112 112 GLN C C 112 175.700 176.176 -0.476 1
1 1492 . 2 1 1 A 112 112 GLN CA C 112 55.600 56.211 -0.611 1
1 1493 . 2 1 1 A 112 112 GLN CB C 112 29.200 29.523 -0.323 1
1 1496 . 2 1 1 A 112 112 GLN N N 112 119.200 120.312 -1.112 1
1 1498 . 2 1 1 A 113 113 LEU H H 113 8.260 8.322 -0.062 1
1 1499 . 2 1 1 A 113 113 LEU HA H 113 4.180 4.469 -0.289 1
1 1509 . 2 1 1 A 113 113 LEU C C 113 177.000 176.141 0.859 1
1 1510 . 2 1 1 A 113 113 LEU CA C 113 55.100 54.380 0.720 1
1 1511 . 2 1 1 A 113 113 LEU CB C 113 42.100 42.695 -0.595 1
1 1515 . 2 1 1 A 113 113 LEU N N 113 122.800 120.909 1.891 1
1 1516 . 2 1 1 A 114 114 GLU H H 114 8.290 8.614 -0.324 1
1 1517 . 2 1 1 A 114 114 GLU HA H 114 4.140 4.618 -0.478 1
1 1522 . 2 1 1 A 114 114 GLU CA C 114 56.300 55.749 0.551 1
1 1523 . 2 1 1 A 114 114 GLU CB C 114 30.200 29.682 0.518 1
1 1 . 3 1 1 A 2 2 THR HA H 2 4.300 4.877 -0.577 1
1 6 . 3 1 1 A 2 2 THR C C 2 174.800 175.416 -0.616 1
1 7 . 3 1 1 A 2 2 THR CA C 2 61.100 60.716 0.384 1
1 8 . 3 1 1 A 2 2 THR CB C 2 70.400 70.125 0.275 1
1 10 . 3 1 1 A 3 3 LEU H H 3 8.760 8.655 0.105 1
1 11 . 3 1 1 A 3 3 LEU HA H 3 4.110 3.883 0.227 1
1 21 . 3 1 1 A 3 3 LEU C C 3 178.300 178.297 0.003 1
1 22 . 3 1 1 A 3 3 LEU CA C 3 57.800 58.035 -0.235 1
1 23 . 3 1 1 A 3 3 LEU CB C 3 41.600 41.445 0.155 1
1 27 . 3 1 1 A 3 3 LEU N N 3 123.600 126.050 -2.450 1
1 28 . 3 1 1 A 4 4 GLU H H 4 8.740 8.261 0.479 1
1 29 . 3 1 1 A 4 4 GLU HA H 4 3.670 4.065 -0.395 1
1 34 . 3 1 1 A 4 4 GLU C C 4 177.900 179.243 -1.343 1
1 35 . 3 1 1 A 4 4 GLU CA C 4 60.000 59.452 0.548 1
1 36 . 3 1 1 A 4 4 GLU CB C 4 29.200 29.235 -0.035 1
1 38 . 3 1 1 A 4 4 GLU N N 4 116.500 118.895 -2.395 1
1 39 . 3 1 1 A 5 5 LEU H H 5 7.340 8.097 -0.757 1
1 40 . 3 1 1 A 5 5 LEU HA H 5 3.900 4.013 -0.113 1
1 50 . 3 1 1 A 5 5 LEU C C 5 178.900 178.382 0.518 1
1 51 . 3 1 1 A 5 5 LEU CA C 5 56.900 57.664 -0.764 1
1 52 . 3 1 1 A 5 5 LEU CB C 5 41.200 41.629 -0.429 1
1 56 . 3 1 1 A 5 5 LEU N N 5 120.500 121.383 -0.883 1
1 57 . 3 1 1 A 6 6 GLN H H 6 8.350 8.066 0.284 1
1 58 . 3 1 1 A 6 6 GLN HA H 6 3.970 4.024 -0.054 1
1 63 . 3 1 1 A 6 6 GLN C C 6 179.700 178.047 1.653 1
1 64 . 3 1 1 A 6 6 GLN CA C 6 59.100 58.795 0.305 1
1 65 . 3 1 1 A 6 6 GLN CB C 6 29.100 28.063 1.037 1
1 67 . 3 1 1 A 6 6 GLN N N 6 120.800 118.214 2.586 1
1 68 . 3 1 1 A 7 7 LEU H H 7 8.620 8.471 0.149 1
1 69 . 3 1 1 A 7 7 LEU HA H 7 4.010 4.124 -0.114 1
1 79 . 3 1 1 A 7 7 LEU C C 7 176.900 178.693 -1.793 1
1 80 . 3 1 1 A 7 7 LEU CA C 7 57.800 57.906 -0.106 1
1 81 . 3 1 1 A 7 7 LEU CB C 7 41.700 41.739 -0.039 1
1 85 . 3 1 1 A 7 7 LEU N N 7 121.000 121.178 -0.178 1
1 86 . 3 1 1 A 8 8 LYS H H 8 7.750 7.625 0.125 1
1 87 . 3 1 1 A 8 8 LYS HA H 8 3.570 3.841 -0.271 1
1 96 . 3 1 1 A 8 8 LYS C C 8 179.400 178.738 0.662 1
1 97 . 3 1 1 A 8 8 LYS CA C 8 59.000 58.551 0.449 1
1 98 . 3 1 1 A 8 8 LYS CB C 8 32.400 31.795 0.605 1
1 102 . 3 1 1 A 8 8 LYS N N 8 119.700 118.695 1.005 1
1 103 . 3 1 1 A 9 9 HIS H H 9 8.520 7.947 0.573 1
1 104 . 3 1 1 A 9 9 HIS HA H 9 4.050 4.457 -0.407 1
1 107 . 3 1 1 A 9 9 HIS C C 9 176.500 176.707 -0.207 1
1 108 . 3 1 1 A 9 9 HIS CA C 9 59.400 59.137 0.263 1
1 109 . 3 1 1 A 9 9 HIS CB C 9 29.900 30.053 -0.153 1
1 110 . 3 1 1 A 9 9 HIS N N 9 120.500 120.187 0.313 1
1 111 . 3 1 1 A 10 10 TYR H H 10 7.990 8.764 -0.774 1
1 112 . 3 1 1 A 10 10 TYR HA H 10 4.160 3.841 0.319 1
1 119 . 3 1 1 A 10 10 TYR C C 10 177.400 176.972 0.428 1
1 120 . 3 1 1 A 10 10 TYR CA C 10 61.800 61.351 0.449 1
1 121 . 3 1 1 A 10 10 TYR CB C 10 39.500 38.859 0.641 1
1 126 . 3 1 1 A 10 10 TYR N N 10 119.200 119.965 -0.765 1
1 127 . 3 1 1 A 11 11 ILE H H 11 8.710 8.579 0.131 1
1 128 . 3 1 1 A 11 11 ILE HA H 11 3.540 3.842 -0.302 1
1 138 . 3 1 1 A 11 11 ILE CA C 11 61.600 63.572 -1.972 1
1 139 . 3 1 1 A 11 11 ILE CB C 11 36.200 37.869 -1.669 1
1 143 . 3 1 1 A 11 11 ILE N N 11 118.900 120.038 -1.138 1
1 144 . 3 1 1 A 12 12 THR HA H 12 3.840 4.046 -0.206 1
1 149 . 3 1 1 A 12 12 THR C C 12 176.900 177.421 -0.521 1
1 150 . 3 1 1 A 12 12 THR CA C 12 66.400 65.960 0.440 1
1 151 . 3 1 1 A 12 12 THR CB C 12 68.300 68.306 -0.006 1
1 153 . 3 1 1 A 13 13 ASN H H 13 7.440 7.899 -0.459 1
1 154 . 3 1 1 A 13 13 ASN HA H 13 4.420 4.376 0.044 1
1 159 . 3 1 1 A 13 13 ASN C C 13 176.700 177.612 -0.912 1
1 160 . 3 1 1 A 13 13 ASN CA C 13 55.900 56.165 -0.265 1
1 161 . 3 1 1 A 13 13 ASN CB C 13 38.600 37.701 0.899 1
1 163 . 3 1 1 A 13 13 ASN N N 13 118.300 121.304 -3.004 1
1 165 . 3 1 1 A 14 14 LEU H H 14 7.890 7.352 0.538 1
1 166 . 3 1 1 A 14 14 LEU HA H 14 3.660 3.714 -0.054 1
1 176 . 3 1 1 A 14 14 LEU C C 14 177.900 177.690 0.210 1
1 177 . 3 1 1 A 14 14 LEU CA C 14 57.600 57.540 0.060 1
1 178 . 3 1 1 A 14 14 LEU CB C 14 42.600 41.161 1.439 1
1 182 . 3 1 1 A 14 14 LEU N N 14 122.100 121.419 0.681 1
1 183 . 3 1 1 A 15 15 PHE H H 15 7.670 7.487 0.183 1
1 184 . 3 1 1 A 15 15 PHE HA H 15 4.490 4.511 -0.021 1
1 191 . 3 1 1 A 15 15 PHE C C 15 173.800 174.548 -0.748 1
1 192 . 3 1 1 A 15 15 PHE CA C 15 57.900 57.152 0.748 1
1 193 . 3 1 1 A 15 15 PHE CB C 15 38.900 39.739 -0.839 1
1 198 . 3 1 1 A 15 15 PHE N N 15 111.800 114.100 -2.300 1
1 199 . 3 1 1 A 16 16 ASN H H 16 7.450 7.830 -0.380 1
1 200 . 3 1 1 A 16 16 ASN HA H 16 4.420 4.198 0.222 1
1 205 . 3 1 1 A 16 16 ASN C C 16 174.200 174.289 -0.089 1
1 206 . 3 1 1 A 16 16 ASN CA C 16 54.100 54.513 -0.413 1
1 207 . 3 1 1 A 16 16 ASN CB C 16 36.500 36.650 -0.150 1
1 209 . 3 1 1 A 16 16 ASN N N 16 118.500 114.053 4.447 1
1 211 . 3 1 1 A 17 17 LEU H H 17 8.410 8.046 0.364 1
1 212 . 3 1 1 A 17 17 LEU HA H 17 4.630 4.578 0.052 1
1 222 . 3 1 1 A 17 17 LEU CA C 17 52.300 52.757 -0.457 1
1 223 . 3 1 1 A 17 17 LEU CB C 17 41.000 41.509 -0.509 1
1 227 . 3 1 1 A 17 17 LEU N N 17 118.700 119.793 -1.093 1
1 228 . 3 1 1 A 18 18 PRO HA H 18 4.380 4.721 -0.341 1
1 235 . 3 1 1 A 18 18 PRO C C 18 178.600 176.508 2.092 1
1 236 . 3 1 1 A 18 18 PRO CA C 18 63.100 62.923 0.177 1
1 237 . 3 1 1 A 18 18 PRO CB C 18 31.800 32.084 -0.284 1
1 240 . 3 1 1 A 19 19 ARG H H 19 8.650 8.258 0.392 1
1 241 . 3 1 1 A 19 19 ARG HA H 19 3.820 4.242 -0.422 1
1 248 . 3 1 1 A 19 19 ARG C C 19 176.500 176.345 0.155 1
1 249 . 3 1 1 A 19 19 ARG CA C 19 58.100 56.439 1.661 1
1 250 . 3 1 1 A 19 19 ARG CB C 19 30.300 30.480 -0.180 1
1 253 . 3 1 1 A 19 19 ARG N N 19 124.600 121.546 3.054 1
1 254 . 3 1 1 A 20 20 ASP H H 20 8.390 8.179 0.211 1
1 255 . 3 1 1 A 20 20 ASP HA H 20 4.550 4.684 -0.134 1
1 258 . 3 1 1 A 20 20 ASP C C 20 175.700 176.557 -0.857 1
1 259 . 3 1 1 A 20 20 ASP CA C 20 53.000 55.179 -2.179 1
1 260 . 3 1 1 A 20 20 ASP CB C 20 40.400 40.739 -0.339 1
1 261 . 3 1 1 A 20 20 ASP N N 20 114.300 118.644 -4.344 1
1 262 . 3 1 1 A 21 21 GLU H H 21 6.780 7.767 -0.987 1
1 263 . 3 1 1 A 21 21 GLU HA H 21 4.150 4.432 -0.282 1
1 268 . 3 1 1 A 21 21 GLU C C 21 175.400 175.949 -0.549 1
1 269 . 3 1 1 A 21 21 GLU CA C 21 56.200 56.270 -0.070 1
1 270 . 3 1 1 A 21 21 GLU CB C 21 31.600 30.039 1.561 1
1 272 . 3 1 1 A 21 21 GLU N N 21 121.600 119.364 2.236 1
1 273 . 3 1 1 A 22 22 LYS H H 22 8.860 8.707 0.153 1
1 274 . 3 1 1 A 22 22 LYS HA H 22 4.160 4.664 -0.504 1
1 283 . 3 1 1 A 22 22 LYS C C 22 176.100 176.427 -0.327 1
1 284 . 3 1 1 A 22 22 LYS CA C 22 57.200 56.809 0.391 1
1 285 . 3 1 1 A 22 22 LYS CB C 22 33.000 33.287 -0.287 1
1 289 . 3 1 1 A 22 22 LYS N N 22 128.900 123.665 5.235 1
1 290 . 3 1 1 A 23 23 TRP H H 23 8.750 9.168 -0.418 1
1 291 . 3 1 1 A 23 23 TRP HA H 23 5.400 5.212 0.188 1
1 300 . 3 1 1 A 23 23 TRP C C 23 176.500 175.222 1.278 1
1 301 . 3 1 1 A 23 23 TRP CA C 23 54.600 56.515 -1.915 1
1 302 . 3 1 1 A 23 23 TRP CB C 23 31.100 31.837 -0.737 1
1 308 . 3 1 1 A 23 23 TRP N N 23 126.100 128.055 -1.955 1
1 310 . 3 1 1 A 24 24 GLU H H 24 9.040 8.879 0.161 1
1 311 . 3 1 1 A 24 24 GLU HA H 24 4.590 5.055 -0.465 1
1 316 . 3 1 1 A 24 24 GLU C C 24 174.100 175.759 -1.659 1
1 317 . 3 1 1 A 24 24 GLU CA C 24 54.200 55.084 -0.884 1
1 318 . 3 1 1 A 24 24 GLU CB C 24 31.600 31.615 -0.015 1
1 320 . 3 1 1 A 24 24 GLU N N 24 122.700 122.582 0.118 1
1 321 . 3 1 1 A 25 25 CYS H H 25 8.740 8.890 -0.150 1
1 322 . 3 1 1 A 25 25 CYS HA H 25 4.870 4.509 0.361 1
1 325 . 3 1 1 A 25 25 CYS C C 25 174.400 173.960 0.440 1
1 326 . 3 1 1 A 25 25 CYS CA C 25 57.200 59.112 -1.912 1
1 327 . 3 1 1 A 25 25 CYS CB C 25 30.200 28.340 1.860 1
1 328 . 3 1 1 A 25 25 CYS N N 25 119.900 125.527 -5.627 1
1 329 . 3 1 1 A 26 26 GLU H H 26 9.220 8.364 0.856 1
1 330 . 3 1 1 A 26 26 GLU HA H 26 4.740 4.914 -0.174 1
1 335 . 3 1 1 A 26 26 GLU C C 26 175.000 174.343 0.657 1
1 336 . 3 1 1 A 26 26 GLU CA C 26 55.100 54.938 0.162 1
1 337 . 3 1 1 A 26 26 GLU CB C 26 31.700 32.850 -1.150 1
1 339 . 3 1 1 A 26 26 GLU N N 26 131.200 125.708 5.492 1
1 340 . 3 1 1 A 27 27 SER H H 27 8.900 8.848 0.052 1
1 341 . 3 1 1 A 27 27 SER HA H 27 5.750 5.313 0.437 1
1 344 . 3 1 1 A 27 27 SER C C 27 173.600 173.993 -0.393 1
1 345 . 3 1 1 A 27 27 SER CA C 27 56.700 56.940 -0.240 1
1 346 . 3 1 1 A 27 27 SER CB C 27 64.200 63.992 0.208 1
1 347 . 3 1 1 A 27 27 SER N N 27 125.100 122.974 2.126 1
1 348 . 3 1 1 A 28 28 ILE H H 28 8.540 9.116 -0.576 1
1 349 . 3 1 1 A 28 28 ILE HA H 28 4.680 5.044 -0.364 1
1 359 . 3 1 1 A 28 28 ILE C C 28 174.100 173.893 0.207 1
1 360 . 3 1 1 A 28 28 ILE CA C 28 59.800 58.664 1.136 1
1 361 . 3 1 1 A 28 28 ILE CB C 28 42.700 42.248 0.452 1
1 365 . 3 1 1 A 28 28 ILE N N 28 123.200 121.157 2.043 1
1 366 . 3 1 1 A 29 29 GLU H H 29 8.430 8.965 -0.535 1
1 367 . 3 1 1 A 29 29 GLU HA H 29 5.430 5.020 0.410 1
1 372 . 3 1 1 A 29 29 GLU C C 29 176.000 175.452 0.548 1
1 373 . 3 1 1 A 29 29 GLU CA C 29 55.600 55.079 0.521 1
1 374 . 3 1 1 A 29 29 GLU CB C 29 31.200 31.251 -0.051 1
1 376 . 3 1 1 A 29 29 GLU N N 29 123.900 123.752 0.148 1
1 377 . 3 1 1 A 30 30 GLU H H 30 8.850 8.490 0.360 1
1 378 . 3 1 1 A 30 30 GLU HA H 30 4.730 4.842 -0.112 1
1 383 . 3 1 1 A 30 30 GLU C C 30 174.300 174.892 -0.592 1
1 384 . 3 1 1 A 30 30 GLU CA C 30 54.700 54.906 -0.206 1
1 385 . 3 1 1 A 30 30 GLU CB C 30 34.400 33.877 0.523 1
1 387 . 3 1 1 A 30 30 GLU N N 30 121.900 127.544 -5.644 1
1 388 . 3 1 1 A 31 31 VAL H H 31 9.260 8.891 0.369 1
1 389 . 3 1 1 A 31 31 VAL HA H 31 4.250 4.017 0.233 1
1 397 . 3 1 1 A 31 31 VAL C C 31 177.700 176.693 1.007 1
1 398 . 3 1 1 A 31 31 VAL CA C 31 62.500 63.526 -1.026 1
1 399 . 3 1 1 A 31 31 VAL CB C 31 31.800 31.907 -0.107 1
1 402 . 3 1 1 A 31 31 VAL N N 31 124.500 126.377 -1.877 1
1 403 . 3 1 1 A 32 32 ALA H H 32 9.250 8.862 0.388 1
1 404 . 3 1 1 A 32 32 ALA HA H 32 3.710 4.000 -0.290 1
1 408 . 3 1 1 A 32 32 ALA C C 32 178.600 178.698 -0.098 1
1 409 . 3 1 1 A 32 32 ALA CA C 32 55.800 55.139 0.661 1
1 410 . 3 1 1 A 32 32 ALA CB C 32 19.400 18.342 1.058 1
1 411 . 3 1 1 A 32 32 ALA N N 32 129.900 128.325 1.575 1
1 412 . 3 1 1 A 33 33 ASP H H 33 9.510 8.589 0.921 1
1 413 . 3 1 1 A 33 33 ASP HA H 33 4.180 4.482 -0.302 1
1 416 . 3 1 1 A 33 33 ASP C C 33 176.300 176.639 -0.339 1
1 417 . 3 1 1 A 33 33 ASP CA C 33 54.600 55.144 -0.544 1
1 418 . 3 1 1 A 33 33 ASP CB C 33 39.200 39.434 -0.234 1
1 419 . 3 1 1 A 33 33 ASP N N 33 110.700 115.842 -5.142 1
1 420 . 3 1 1 A 34 34 ASP H H 34 7.830 8.032 -0.202 1
1 421 . 3 1 1 A 34 34 ASP HA H 34 4.650 4.519 0.131 1
1 424 . 3 1 1 A 34 34 ASP C C 34 176.300 177.122 -0.822 1
1 425 . 3 1 1 A 34 34 ASP CA C 34 55.100 56.071 -0.971 1
1 426 . 3 1 1 A 34 34 ASP CB C 34 41.000 41.073 -0.073 1
1 427 . 3 1 1 A 34 34 ASP N N 34 114.700 119.310 -4.610 1
1 428 . 3 1 1 A 35 35 ILE H H 35 7.290 7.061 0.229 1
1 429 . 3 1 1 A 35 35 ILE HA H 35 4.490 4.415 0.075 1
1 439 . 3 1 1 A 35 35 ILE C C 35 174.100 175.163 -1.063 1
1 440 . 3 1 1 A 35 35 ILE CA C 35 60.700 60.841 -0.141 1
1 441 . 3 1 1 A 35 35 ILE CB C 35 40.600 39.621 0.979 1
1 445 . 3 1 1 A 35 35 ILE N N 35 113.400 111.211 2.189 1
1 446 . 3 1 1 A 36 36 LEU H H 36 7.730 8.494 -0.764 1
1 447 . 3 1 1 A 36 36 LEU HA H 36 4.800 4.792 0.008 1
1 457 . 3 1 1 A 36 36 LEU CA C 36 52.200 51.130 1.070 1
1 458 . 3 1 1 A 36 36 LEU CB C 36 42.700 43.042 -0.342 1
1 462 . 3 1 1 A 36 36 LEU N N 36 120.400 124.302 -3.902 1
1 463 . 3 1 1 A 37 37 PRO HA H 37 4.440 4.597 -0.157 1
1 470 . 3 1 1 A 37 37 PRO C C 37 177.100 177.367 -0.267 1
1 471 . 3 1 1 A 37 37 PRO CA C 37 63.100 62.868 0.232 1
1 472 . 3 1 1 A 37 37 PRO CB C 37 32.700 32.940 -0.240 1
1 475 . 3 1 1 A 38 38 ASP H H 38 8.690 9.083 -0.393 1
1 476 . 3 1 1 A 38 38 ASP HA H 38 4.230 4.330 -0.100 1
1 479 . 3 1 1 A 38 38 ASP C C 38 177.800 178.095 -0.295 1
1 480 . 3 1 1 A 38 38 ASP CA C 38 57.900 57.308 0.592 1
1 481 . 3 1 1 A 38 38 ASP CB C 38 42.200 41.171 1.029 1
1 482 . 3 1 1 A 38 38 ASP N N 38 123.800 123.669 0.131 1
1 483 . 3 1 1 A 39 39 GLN H H 39 9.080 8.707 0.373 1
1 484 . 3 1 1 A 39 39 GLN HA H 39 3.990 4.069 -0.079 1
1 491 . 3 1 1 A 39 39 GLN C C 39 176.400 176.116 0.284 1
1 492 . 3 1 1 A 39 39 GLN CA C 39 58.000 57.914 0.086 1
1 493 . 3 1 1 A 39 39 GLN CB C 39 27.300 27.847 -0.547 1
1 496 . 3 1 1 A 39 39 GLN N N 39 115.100 115.922 -0.822 1
1 498 . 3 1 1 A 40 40 TYR H H 40 7.510 7.873 -0.363 1
1 499 . 3 1 1 A 40 40 TYR HA H 40 4.730 4.544 0.186 1
1 506 . 3 1 1 A 40 40 TYR C C 40 174.200 176.097 -1.897 1
1 507 . 3 1 1 A 40 40 TYR CA C 40 57.000 57.627 -0.627 1
1 508 . 3 1 1 A 40 40 TYR CB C 40 39.400 38.689 0.711 1
1 513 . 3 1 1 A 40 40 TYR N N 40 116.800 118.210 -1.410 1
1 514 . 3 1 1 A 41 41 VAL H H 41 7.370 8.397 -1.027 1
1 515 . 3 1 1 A 41 41 VAL HA H 41 4.000 4.260 -0.260 1
1 523 . 3 1 1 A 41 41 VAL C C 41 175.400 176.422 -1.022 1
1 524 . 3 1 1 A 41 41 VAL CA C 41 62.800 63.093 -0.293 1
1 525 . 3 1 1 A 41 41 VAL CB C 41 34.300 33.363 0.937 1
1 528 . 3 1 1 A 41 41 VAL N N 41 116.100 117.044 -0.944 1
1 529 . 3 1 1 A 42 42 ARG H H 42 7.990 8.650 -0.660 1
1 530 . 3 1 1 A 42 42 ARG HA H 42 3.970 4.354 -0.384 1
1 537 . 3 1 1 A 42 42 ARG C C 42 176.600 175.970 0.630 1
1 538 . 3 1 1 A 42 42 ARG CA C 42 58.500 58.643 -0.143 1
1 539 . 3 1 1 A 42 42 ARG CB C 42 29.700 29.642 0.058 1
1 542 . 3 1 1 A 42 42 ARG N N 42 120.900 121.304 -0.404 1
1 543 . 3 1 1 A 43 43 LEU H H 43 8.930 8.400 0.530 1
1 544 . 3 1 1 A 43 43 LEU HA H 43 4.060 4.357 -0.297 1
1 554 . 3 1 1 A 43 43 LEU C C 43 176.200 177.020 -0.820 1
1 555 . 3 1 1 A 43 43 LEU CA C 43 56.100 55.103 0.997 1
1 556 . 3 1 1 A 43 43 LEU CB C 43 40.100 41.401 -1.301 1
1 560 . 3 1 1 A 43 43 LEU N N 43 119.500 124.983 -5.483 1
1 561 . 3 1 1 A 44 44 GLY H H 44 7.890 8.587 -0.697 1
1 562 . 3 1 1 A 44 44 GLY HA2 H 44 3.930 4.063 -0.133 1
1 563 . 3 1 1 A 44 44 GLY HA3 H 44 4.540 4.064 0.476 1
1 564 . 3 1 1 A 44 44 GLY CA C 44 44.900 45.090 -0.190 1
1 565 . 3 1 1 A 44 44 GLY N N 44 107.000 108.163 -1.163 1
1 566 . 3 1 1 A 45 45 PRO HA H 45 4.360 4.474 -0.114 1
1 573 . 3 1 1 A 45 45 PRO C C 45 176.900 177.694 -0.794 1
1 574 . 3 1 1 A 45 45 PRO CA C 45 64.400 64.063 0.337 1
1 575 . 3 1 1 A 45 45 PRO CB C 45 31.900 31.758 0.142 1
1 578 . 3 1 1 A 46 46 LEU H H 46 8.660 8.018 0.642 1
1 579 . 3 1 1 A 46 46 LEU HA H 46 3.970 4.252 -0.282 1
1 589 . 3 1 1 A 46 46 LEU C C 46 176.300 176.870 -0.570 1
1 590 . 3 1 1 A 46 46 LEU CA C 46 55.900 54.943 0.957 1
1 591 . 3 1 1 A 46 46 LEU CB C 46 43.500 41.630 1.870 1
1 595 . 3 1 1 A 46 46 LEU N N 46 117.000 117.414 -0.414 1
1 596 . 3 1 1 A 47 47 SER H H 47 7.160 7.458 -0.298 1
1 597 . 3 1 1 A 47 47 SER HA H 47 4.080 4.397 -0.317 1
1 600 . 3 1 1 A 47 47 SER C C 47 176.600 174.995 1.605 1
1 601 . 3 1 1 A 47 47 SER CA C 47 59.100 59.899 -0.799 1
1 602 . 3 1 1 A 47 47 SER CB C 47 62.800 63.002 -0.202 1
1 603 . 3 1 1 A 47 47 SER N N 47 110.300 115.968 -5.668 1
1 604 . 3 1 1 A 48 48 ASN H H 48 11.000 8.944 2.056 1
1 605 . 3 1 1 A 48 48 ASN HA H 48 4.090 4.316 -0.226 1
1 610 . 3 1 1 A 48 48 ASN C C 48 174.700 173.733 0.967 1
1 611 . 3 1 1 A 48 48 ASN CA C 48 55.200 54.703 0.497 1
1 612 . 3 1 1 A 48 48 ASN CB C 48 38.300 37.238 1.062 1
1 614 . 3 1 1 A 48 48 ASN N N 48 123.200 118.518 4.682 1
1 616 . 3 1 1 A 49 49 LYS H H 49 7.830 7.542 0.288 1
1 617 . 3 1 1 A 49 49 LYS HA H 49 4.360 4.578 -0.218 1
1 626 . 3 1 1 A 49 49 LYS C C 49 175.100 175.898 -0.798 1
1 627 . 3 1 1 A 49 49 LYS CA C 49 56.100 55.631 0.469 1
1 628 . 3 1 1 A 49 49 LYS CB C 49 33.200 33.969 -0.769 1
1 632 . 3 1 1 A 49 49 LYS N N 49 119.400 120.005 -0.605 1
1 633 . 3 1 1 A 50 50 ILE H H 50 8.570 8.620 -0.050 1
1 634 . 3 1 1 A 50 50 ILE HA H 50 4.160 4.336 -0.176 1
1 644 . 3 1 1 A 50 50 ILE C C 50 175.000 175.600 -0.600 1
1 645 . 3 1 1 A 50 50 ILE CA C 50 61.200 60.765 0.435 1
1 646 . 3 1 1 A 50 50 ILE CB C 50 36.900 37.658 -0.758 1
1 650 . 3 1 1 A 50 50 ILE N N 50 123.000 126.183 -3.183 1
1 651 . 3 1 1 A 51 51 LEU H H 51 9.270 8.778 0.492 1
1 652 . 3 1 1 A 51 51 LEU HA H 51 5.170 5.173 -0.003 1
1 662 . 3 1 1 A 51 51 LEU C C 51 176.300 175.684 0.616 1
1 663 . 3 1 1 A 51 51 LEU CA C 51 52.500 53.337 -0.837 1
1 664 . 3 1 1 A 51 51 LEU CB C 51 42.600 44.961 -2.361 1
1 668 . 3 1 1 A 51 51 LEU N N 51 127.000 128.861 -1.861 1
1 669 . 3 1 1 A 52 52 GLN H H 52 9.110 8.329 0.781 1
1 670 . 3 1 1 A 52 52 GLN HA H 52 4.590 4.659 -0.069 1
1 677 . 3 1 1 A 52 52 GLN C C 52 175.000 175.301 -0.301 1
1 678 . 3 1 1 A 52 52 GLN CA C 52 56.800 55.313 1.487 1
1 679 . 3 1 1 A 52 52 GLN CB C 52 29.200 29.487 -0.287 1
1 682 . 3 1 1 A 52 52 GLN N N 52 122.700 122.762 -0.062 1
1 684 . 3 1 1 A 53 53 THR H H 53 9.110 8.441 0.669 1
1 685 . 3 1 1 A 53 53 THR HA H 53 4.730 5.138 -0.408 1
1 690 . 3 1 1 A 53 53 THR C C 53 172.500 174.148 -1.648 1
1 691 . 3 1 1 A 53 53 THR CA C 53 60.500 60.536 -0.036 1
1 692 . 3 1 1 A 53 53 THR CB C 53 69.800 70.271 -0.471 1
1 694 . 3 1 1 A 53 53 THR N N 53 121.500 118.131 3.369 1
1 695 . 3 1 1 A 54 54 ASN H H 54 8.210 8.883 -0.673 1
1 696 . 3 1 1 A 54 54 ASN HA H 54 5.400 5.378 0.022 1
1 701 . 3 1 1 A 54 54 ASN C C 54 172.900 174.173 -1.273 1
1 702 . 3 1 1 A 54 54 ASN CA C 54 52.400 52.335 0.065 1
1 703 . 3 1 1 A 54 54 ASN CB C 54 40.900 40.352 0.548 1
1 705 . 3 1 1 A 54 54 ASN N N 54 125.400 122.824 2.576 1
1 707 . 3 1 1 A 55 55 THR H H 55 8.510 8.769 -0.259 1
1 708 . 3 1 1 A 55 55 THR HA H 55 5.120 5.137 -0.017 1
1 713 . 3 1 1 A 55 55 THR C C 55 172.800 173.431 -0.631 1
1 714 . 3 1 1 A 55 55 THR CA C 55 61.400 61.986 -0.586 1
1 715 . 3 1 1 A 55 55 THR CB C 55 69.700 70.187 -0.487 1
1 717 . 3 1 1 A 55 55 THR N N 55 119.300 121.678 -2.378 1
1 718 . 3 1 1 A 56 56 TYR H H 56 8.460 8.711 -0.251 1
1 719 . 3 1 1 A 56 56 TYR HA H 56 5.260 5.620 -0.360 1
1 726 . 3 1 1 A 56 56 TYR C C 56 173.400 174.005 -0.605 1
1 727 . 3 1 1 A 56 56 TYR CA C 56 57.500 55.982 1.518 1
1 728 . 3 1 1 A 56 56 TYR CB C 56 41.400 40.566 0.834 1
1 733 . 3 1 1 A 56 56 TYR N N 56 125.400 125.637 -0.237 1
1 734 . 3 1 1 A 57 57 TYR H H 57 8.450 8.946 -0.496 1
1 735 . 3 1 1 A 57 57 TYR HA H 57 4.530 5.321 -0.791 1
1 742 . 3 1 1 A 57 57 TYR C C 57 172.400 174.265 -1.865 1
1 743 . 3 1 1 A 57 57 TYR CA C 57 56.600 56.174 0.426 1
1 744 . 3 1 1 A 57 57 TYR CB C 57 41.700 40.910 0.790 1
1 749 . 3 1 1 A 57 57 TYR N N 57 113.900 122.967 -9.067 1
1 750 . 3 1 1 A 58 58 SER H H 58 7.100 8.768 -1.668 1
1 751 . 3 1 1 A 58 58 SER HA H 58 4.750 5.113 -0.363 1
1 754 . 3 1 1 A 58 58 SER C C 58 173.800 174.737 -0.937 1
1 755 . 3 1 1 A 58 58 SER CA C 58 56.600 55.934 0.666 1
1 756 . 3 1 1 A 58 58 SER CB C 58 65.600 65.700 -0.100 1
1 757 . 3 1 1 A 58 58 SER N N 58 114.200 117.543 -3.343 1
1 758 . 3 1 1 A 59 59 ASP H H 59 9.140 9.155 -0.015 1
1 759 . 3 1 1 A 59 59 ASP HA H 59 4.550 4.422 0.128 1
1 762 . 3 1 1 A 59 59 ASP C C 59 179.000 178.250 0.750 1
1 763 . 3 1 1 A 59 59 ASP CA C 59 58.500 57.193 1.307 1
1 764 . 3 1 1 A 59 59 ASP CB C 59 40.400 39.445 0.955 1
1 765 . 3 1 1 A 59 59 ASP N N 59 121.800 124.862 -3.062 1
1 766 . 3 1 1 A 60 60 THR H H 60 9.060 8.092 0.968 1
1 767 . 3 1 1 A 60 60 THR HA H 60 4.000 4.073 -0.073 1
1 772 . 3 1 1 A 60 60 THR C C 60 178.000 176.636 1.364 1
1 773 . 3 1 1 A 60 60 THR CA C 60 67.300 67.262 0.038 1
1 774 . 3 1 1 A 60 60 THR CB C 60 67.300 67.949 -0.649 1
1 776 . 3 1 1 A 60 60 THR N N 60 114.800 117.060 -2.260 1
1 777 . 3 1 1 A 61 61 LEU H H 61 7.950 8.104 -0.154 1
1 778 . 3 1 1 A 61 61 LEU HA H 61 3.610 3.770 -0.160 1
1 788 . 3 1 1 A 61 61 LEU C C 61 178.900 178.926 -0.026 1
1 789 . 3 1 1 A 61 61 LEU CA C 61 58.600 57.691 0.909 1
1 790 . 3 1 1 A 61 61 LEU CB C 61 39.500 41.646 -2.146 1
1 794 . 3 1 1 A 61 61 LEU N N 61 126.100 120.877 5.223 1
1 795 . 3 1 1 A 62 62 HIS H H 62 8.260 8.658 -0.398 1
1 796 . 3 1 1 A 62 62 HIS HA H 62 4.470 4.084 0.386 1
1 800 . 3 1 1 A 62 62 HIS C C 62 178.900 177.318 1.582 1
1 801 . 3 1 1 A 62 62 HIS CA C 62 58.600 60.425 -1.825 1
1 802 . 3 1 1 A 62 62 HIS CB C 62 29.500 29.623 -0.123 1
1 804 . 3 1 1 A 62 62 HIS N N 62 116.000 118.104 -2.104 1
1 805 . 3 1 1 A 63 63 LYS H H 63 7.790 8.171 -0.381 1
1 806 . 3 1 1 A 63 63 LYS HA H 63 3.960 3.980 -0.020 1
1 815 . 3 1 1 A 63 63 LYS C C 63 177.900 179.182 -1.282 1
1 816 . 3 1 1 A 63 63 LYS CA C 63 59.200 59.451 -0.251 1
1 817 . 3 1 1 A 63 63 LYS CB C 63 32.400 32.167 0.233 1
1 821 . 3 1 1 A 63 63 LYS N N 63 119.100 119.035 0.065 1
1 822 . 3 1 1 A 64 64 SER H H 64 7.580 7.902 -0.322 1
1 823 . 3 1 1 A 64 64 SER HA H 64 4.260 4.392 -0.132 1
1 826 . 3 1 1 A 64 64 SER C C 64 172.100 173.700 -1.600 1
1 827 . 3 1 1 A 64 64 SER CA C 64 59.300 58.953 0.347 1
1 828 . 3 1 1 A 64 64 SER CB C 64 63.600 63.311 0.289 1
1 829 . 3 1 1 A 64 64 SER N N 64 112.470 112.809 -0.339 1
1 830 . 3 1 1 A 65 65 ASN H H 65 7.760 7.667 0.093 1
1 831 . 3 1 1 A 65 65 ASN HA H 65 3.870 3.951 -0.081 1
1 836 . 3 1 1 A 65 65 ASN C C 65 171.100 173.459 -2.359 1
1 837 . 3 1 1 A 65 65 ASN CA C 65 54.300 54.284 0.016 1
1 838 . 3 1 1 A 65 65 ASN CB C 65 37.500 36.603 0.897 1
1 840 . 3 1 1 A 65 65 ASN N N 65 117.600 116.692 0.908 1
1 842 . 3 1 1 A 66 66 ILE H H 66 6.820 7.039 -0.219 1
1 843 . 3 1 1 A 66 66 ILE HA H 66 4.590 4.165 0.425 1
1 853 . 3 1 1 A 66 66 ILE C C 66 174.000 173.880 0.120 1
1 854 . 3 1 1 A 66 66 ILE CA C 66 58.200 60.080 -1.880 1
1 855 . 3 1 1 A 66 66 ILE CB C 66 40.200 39.424 0.776 1
1 859 . 3 1 1 A 66 66 ILE N N 66 113.900 118.361 -4.461 1
1 860 . 3 1 1 A 67 67 TYR H H 67 8.530 8.060 0.470 1
1 861 . 3 1 1 A 67 67 TYR HA H 67 5.050 5.273 -0.223 1
1 868 . 3 1 1 A 67 67 TYR CA C 67 54.000 54.628 -0.628 1
1 869 . 3 1 1 A 67 67 TYR CB C 67 39.400 38.967 0.433 1
1 874 . 3 1 1 A 67 67 TYR N N 67 120.200 125.964 -5.764 1
1 875 . 3 1 1 A 68 68 PRO HA H 68 5.120 4.984 0.136 1
1 882 . 3 1 1 A 68 68 PRO C C 68 174.600 176.865 -2.265 1
1 883 . 3 1 1 A 68 68 PRO CA C 68 61.500 62.591 -1.091 1
1 884 . 3 1 1 A 68 68 PRO CB C 68 32.200 32.794 -0.594 1
1 887 . 3 1 1 A 69 69 PHE H H 69 8.870 8.661 0.209 1
1 888 . 3 1 1 A 69 69 PHE HA H 69 6.330 5.610 0.720 1
1 896 . 3 1 1 A 69 69 PHE C C 69 173.000 172.801 0.199 1
1 897 . 3 1 1 A 69 69 PHE CA C 69 56.300 55.985 0.315 1
1 898 . 3 1 1 A 69 69 PHE CB C 69 42.900 42.673 0.227 1
1 903 . 3 1 1 A 69 69 PHE N N 69 118.400 118.630 -0.230 1
1 904 . 3 1 1 A 70 70 ILE H H 70 9.060 8.874 0.186 1
1 905 . 3 1 1 A 70 70 ILE HA H 70 4.840 4.630 0.210 1
1 915 . 3 1 1 A 70 70 ILE C C 70 175.700 174.828 0.872 1
1 916 . 3 1 1 A 70 70 ILE CA C 70 61.900 60.080 1.820 1
1 917 . 3 1 1 A 70 70 ILE CB C 70 43.000 41.940 1.060 1
1 921 . 3 1 1 A 70 70 ILE N N 70 117.700 121.388 -3.688 1
1 922 . 3 1 1 A 71 71 LEU H H 71 9.320 8.567 0.753 1
1 923 . 3 1 1 A 71 71 LEU HA H 71 5.720 5.052 0.668 1
1 933 . 3 1 1 A 71 71 LEU C C 71 175.600 175.929 -0.329 1
1 934 . 3 1 1 A 71 71 LEU CA C 71 52.400 54.111 -1.711 1
1 935 . 3 1 1 A 71 71 LEU CB C 71 43.700 43.454 0.246 1
1 939 . 3 1 1 A 71 71 LEU N N 71 124.800 127.043 -2.243 1
1 940 . 3 1 1 A 72 72 TYR H H 72 9.250 9.291 -0.041 1
1 941 . 3 1 1 A 72 72 TYR HA H 72 5.350 5.453 -0.103 1
1 948 . 3 1 1 A 72 72 TYR C C 72 174.100 174.765 -0.665 1
1 949 . 3 1 1 A 72 72 TYR CA C 72 57.300 56.923 0.377 1
1 950 . 3 1 1 A 72 72 TYR CB C 72 44.500 42.480 2.020 1
1 955 . 3 1 1 A 72 72 TYR N N 72 120.700 123.028 -2.328 1
1 956 . 3 1 1 A 73 73 TYR H H 73 9.250 9.062 0.188 1
1 957 . 3 1 1 A 73 73 TYR HA H 73 5.110 4.921 0.189 1
1 964 . 3 1 1 A 73 73 TYR C C 73 174.500 174.981 -0.481 1
1 965 . 3 1 1 A 73 73 TYR CA C 73 56.500 57.805 -1.305 1
1 966 . 3 1 1 A 73 73 TYR CB C 73 40.400 40.680 -0.280 1
1 971 . 3 1 1 A 73 73 TYR N N 73 120.300 123.398 -3.098 1
1 972 . 3 1 1 A 74 74 GLN H H 74 9.310 9.042 0.268 1
1 973 . 3 1 1 A 74 74 GLN HA H 74 3.530 3.849 -0.319 1
1 980 . 3 1 1 A 74 74 GLN C C 74 175.400 174.899 0.501 1
1 981 . 3 1 1 A 74 74 GLN CA C 74 57.200 56.721 0.479 1
1 982 . 3 1 1 A 74 74 GLN CB C 74 25.500 27.422 -1.922 1
1 985 . 3 1 1 A 74 74 GLN N N 74 126.000 126.539 -0.539 1
1 987 . 3 1 1 A 75 75 LYS H H 75 8.530 8.488 0.042 1
1 988 . 3 1 1 A 75 75 LYS HA H 75 3.820 3.873 -0.053 1
1 997 . 3 1 1 A 75 75 LYS C C 75 175.500 175.139 0.361 1
1 998 . 3 1 1 A 75 75 LYS CA C 75 57.300 57.748 -0.448 1
1 999 . 3 1 1 A 75 75 LYS CB C 75 30.900 32.140 -1.240 1
1 1003 . 3 1 1 A 75 75 LYS N N 75 113.600 117.088 -3.488 1
1 1004 . 3 1 1 A 76 76 GLN H H 76 8.550 7.814 0.736 1
1 1005 . 3 1 1 A 76 76 GLN HA H 76 4.470 4.896 -0.426 1
1 1012 . 3 1 1 A 76 76 GLN C C 76 175.400 174.405 0.995 1
1 1013 . 3 1 1 A 76 76 GLN CA C 76 54.700 54.100 0.600 1
1 1014 . 3 1 1 A 76 76 GLN CB C 76 29.900 30.881 -0.981 1
1 1017 . 3 1 1 A 76 76 GLN N N 76 122.200 119.281 2.919 1
1 1019 . 3 1 1 A 77 77 LEU H H 77 8.860 8.789 0.071 1
1 1020 . 3 1 1 A 77 77 LEU HA H 77 3.940 4.548 -0.608 1
1 1030 . 3 1 1 A 77 77 LEU C C 77 175.300 175.894 -0.594 1
1 1031 . 3 1 1 A 77 77 LEU CA C 77 56.800 54.757 2.043 1
1 1032 . 3 1 1 A 77 77 LEU CB C 77 41.800 42.824 -1.024 1
1 1036 . 3 1 1 A 77 77 LEU N N 77 128.900 124.666 4.234 1
1 1037 . 3 1 1 A 78 78 ILE H H 78 8.880 8.760 0.120 1
1 1038 . 3 1 1 A 78 78 ILE HA H 78 4.810 4.272 0.538 1
1 1048 . 3 1 1 A 78 78 ILE C C 78 174.600 176.069 -1.469 1
1 1049 . 3 1 1 A 78 78 ILE CA C 78 58.300 62.542 -4.242 1
1 1050 . 3 1 1 A 78 78 ILE CB C 78 38.270 38.620 -0.350 1
1 1054 . 3 1 1 A 78 78 ILE N N 78 126.900 128.112 -1.212 1
1 1055 . 3 1 1 A 79 79 ALA H H 79 7.940 7.519 0.421 1
1 1056 . 3 1 1 A 79 79 ALA HA H 79 5.390 4.912 0.478 1
1 1060 . 3 1 1 A 79 79 ALA C C 79 175.300 175.193 0.107 1
1 1061 . 3 1 1 A 79 79 ALA CA C 79 51.600 51.699 -0.099 1
1 1062 . 3 1 1 A 79 79 ALA CB C 79 24.000 22.609 1.391 1
1 1063 . 3 1 1 A 79 79 ALA N N 79 115.000 118.449 -3.449 1
1 1064 . 3 1 1 A 80 80 ILE H H 80 8.580 8.781 -0.201 1
1 1065 . 3 1 1 A 80 80 ILE HA H 80 4.840 5.066 -0.226 1
1 1075 . 3 1 1 A 80 80 ILE C C 80 175.000 175.800 -0.800 1
1 1076 . 3 1 1 A 80 80 ILE CA C 80 60.300 59.574 0.726 1
1 1077 . 3 1 1 A 80 80 ILE CB C 80 42.800 42.108 0.692 1
1 1081 . 3 1 1 A 80 80 ILE N N 80 117.900 120.232 -2.332 1
1 1082 . 3 1 1 A 81 81 GLY H H 81 8.200 7.319 0.881 1
1 1083 . 3 1 1 A 81 81 GLY HA2 H 81 3.750 4.045 -0.295 1
1 1084 . 3 1 1 A 81 81 GLY HA3 H 81 4.070 4.167 -0.097 1
1 1085 . 3 1 1 A 81 81 GLY C C 81 169.100 171.615 -2.515 1
1 1086 . 3 1 1 A 81 81 GLY CA C 81 46.600 45.358 1.242 1
1 1087 . 3 1 1 A 81 81 GLY N N 81 116.400 111.735 4.665 1
1 1088 . 3 1 1 A 82 82 PHE H H 82 8.210 8.217 -0.007 1
1 1089 . 3 1 1 A 82 82 PHE HA H 82 5.340 5.580 -0.240 1
1 1094 . 3 1 1 A 82 82 PHE C C 82 172.400 172.421 -0.021 1
1 1095 . 3 1 1 A 82 82 PHE CA C 82 56.300 55.910 0.390 1
1 1096 . 3 1 1 A 82 82 PHE CB C 82 40.100 42.551 -2.451 1
1 1099 . 3 1 1 A 82 82 PHE N N 82 114.500 113.597 0.903 1
1 1100 . 3 1 1 A 83 83 ILE H H 83 8.490 9.353 -0.863 1
1 1101 . 3 1 1 A 83 83 ILE HA H 83 4.740 4.804 -0.064 1
1 1111 . 3 1 1 A 83 83 ILE C C 83 175.200 174.773 0.427 1
1 1112 . 3 1 1 A 83 83 ILE CA C 83 60.400 60.280 0.120 1
1 1113 . 3 1 1 A 83 83 ILE CB C 83 39.500 39.283 0.217 1
1 1117 . 3 1 1 A 83 83 ILE N N 83 123.400 120.782 2.618 1
1 1118 . 3 1 1 A 84 84 ASP H H 84 8.550 8.471 0.079 1
1 1119 . 3 1 1 A 84 84 ASP HA H 84 5.170 4.928 0.242 1
1 1122 . 3 1 1 A 84 84 ASP C C 84 178.600 176.946 1.654 1
1 1123 . 3 1 1 A 84 84 ASP CA C 84 52.200 52.413 -0.213 1
1 1124 . 3 1 1 A 84 84 ASP CB C 84 42.400 43.458 -1.058 1
1 1125 . 3 1 1 A 84 84 ASP N N 84 126.900 128.220 -1.320 1
1 1126 . 3 1 1 A 85 85 GLU H H 85 9.250 8.980 0.270 1
1 1127 . 3 1 1 A 85 85 GLU HA H 85 4.350 4.104 0.246 1
1 1132 . 3 1 1 A 85 85 GLU C C 85 176.800 177.737 -0.937 1
1 1133 . 3 1 1 A 85 85 GLU CA C 85 58.400 59.413 -1.013 1
1 1134 . 3 1 1 A 85 85 GLU CB C 85 28.700 29.372 -0.672 1
1 1136 . 3 1 1 A 85 85 GLU N N 85 118.000 123.936 -5.936 1
1 1137 . 3 1 1 A 86 86 ASN H H 86 8.280 7.877 0.403 1
1 1138 . 3 1 1 A 86 86 ASN HA H 86 4.760 4.843 -0.083 1
1 1143 . 3 1 1 A 86 86 ASN C C 86 174.600 174.664 -0.064 1
1 1144 . 3 1 1 A 86 86 ASN CA C 86 52.800 52.819 -0.019 1
1 1145 . 3 1 1 A 86 86 ASN CB C 86 38.900 38.505 0.395 1
1 1147 . 3 1 1 A 86 86 ASN N N 86 118.300 115.166 3.134 1
1 1149 . 3 1 1 A 87 87 HIS H H 87 8.570 7.875 0.695 1
1 1150 . 3 1 1 A 87 87 HIS HA H 87 3.940 4.236 -0.296 1
1 1154 . 3 1 1 A 87 87 HIS C C 87 173.600 174.122 -0.522 1
1 1155 . 3 1 1 A 87 87 HIS CA C 87 57.000 57.264 -0.264 1
1 1156 . 3 1 1 A 87 87 HIS CB C 87 26.700 27.620 -0.920 1
1 1158 . 3 1 1 A 87 87 HIS N N 87 114.000 115.937 -1.937 1
1 1159 . 3 1 1 A 88 88 ASP H H 88 8.210 7.787 0.423 1
1 1160 . 3 1 1 A 88 88 ASP HA H 88 4.840 4.432 0.408 1
1 1163 . 3 1 1 A 88 88 ASP C C 88 174.800 175.551 -0.751 1
1 1164 . 3 1 1 A 88 88 ASP CA C 88 53.900 54.248 -0.348 1
1 1165 . 3 1 1 A 88 88 ASP CB C 88 41.500 41.248 0.252 1
1 1166 . 3 1 1 A 88 88 ASP N N 88 120.300 120.206 0.094 1
1 1167 . 3 1 1 A 89 89 MET H H 89 8.550 8.577 -0.027 1
1 1168 . 3 1 1 A 89 89 MET HA H 89 4.450 4.880 -0.430 1
1 1176 . 3 1 1 A 89 89 MET C C 89 173.400 173.590 -0.190 1
1 1177 . 3 1 1 A 89 89 MET CA C 89 55.800 53.437 2.363 1
1 1178 . 3 1 1 A 89 89 MET CB C 89 34.700 33.344 1.356 1
1 1181 . 3 1 1 A 89 89 MET N N 89 120.400 121.336 -0.936 1
1 1182 . 3 1 1 A 90 90 ASP H H 90 8.420 8.000 0.420 1
1 1183 . 3 1 1 A 90 90 ASP HA H 90 4.580 4.629 -0.049 1
1 1186 . 3 1 1 A 90 90 ASP C C 90 174.600 174.179 0.421 1
1 1187 . 3 1 1 A 90 90 ASP CA C 90 52.300 51.872 0.428 1
1 1188 . 3 1 1 A 90 90 ASP CB C 90 41.800 41.332 0.468 1
1 1189 . 3 1 1 A 90 90 ASP N N 90 126.900 125.767 1.133 1
1 1190 . 3 1 1 A 91 91 PHE H H 91 8.350 8.577 -0.227 1
1 1191 . 3 1 1 A 91 91 PHE HA H 91 4.780 4.522 0.258 1
1 1199 . 3 1 1 A 91 91 PHE C C 91 175.600 175.436 0.164 1
1 1200 . 3 1 1 A 91 91 PHE CA C 91 58.200 58.510 -0.310 1
1 1201 . 3 1 1 A 91 91 PHE CB C 91 41.400 39.795 1.605 1
1 1207 . 3 1 1 A 91 91 PHE N N 91 118.600 124.956 -6.356 1
1 1208 . 3 1 1 A 92 92 LEU H H 92 9.060 9.072 -0.012 1
1 1209 . 3 1 1 A 92 92 LEU HA H 92 4.330 4.615 -0.285 1
1 1219 . 3 1 1 A 92 92 LEU C C 92 175.700 176.735 -1.035 1
1 1220 . 3 1 1 A 92 92 LEU CA C 92 55.200 55.637 -0.437 1
1 1221 . 3 1 1 A 92 92 LEU CB C 92 43.500 43.582 -0.082 1
1 1225 . 3 1 1 A 92 92 LEU N N 92 121.100 123.321 -2.221 1
1 1226 . 3 1 1 A 93 93 TYR H H 93 7.970 7.229 0.741 1
1 1227 . 3 1 1 A 93 93 TYR HA H 93 4.780 4.878 -0.098 1
1 1234 . 3 1 1 A 93 93 TYR C C 93 172.800 173.056 -0.256 1
1 1235 . 3 1 1 A 93 93 TYR CA C 93 57.600 57.894 -0.294 1
1 1236 . 3 1 1 A 93 93 TYR CB C 93 42.500 41.390 1.110 1
1 1241 . 3 1 1 A 93 93 TYR N N 93 118.600 117.337 1.263 1
1 1242 . 3 1 1 A 94 94 LEU H H 94 8.220 8.732 -0.512 1
1 1243 . 3 1 1 A 94 94 LEU HA H 94 5.060 5.106 -0.046 1
1 1253 . 3 1 1 A 94 94 LEU C C 94 171.900 174.269 -2.369 1
1 1254 . 3 1 1 A 94 94 LEU CA C 94 55.100 53.093 2.007 1
1 1255 . 3 1 1 A 94 94 LEU CB C 94 44.800 45.144 -0.344 1
1 1259 . 3 1 1 A 94 94 LEU N N 94 128.600 130.636 -2.036 1
1 1260 . 3 1 1 A 95 95 HIS H H 95 9.720 8.784 0.936 1
1 1261 . 3 1 1 A 95 95 HIS HA H 95 4.570 5.108 -0.538 1
1 1266 . 3 1 1 A 95 95 HIS C C 95 173.100 172.412 0.688 1
1 1267 . 3 1 1 A 95 95 HIS CA C 95 55.500 54.651 0.849 1
1 1268 . 3 1 1 A 95 95 HIS CB C 95 35.900 33.221 2.679 1
1 1271 . 3 1 1 A 95 95 HIS N N 95 133.000 125.617 7.383 1
1 1272 . 3 1 1 A 96 96 ASN H H 96 7.670 8.622 -0.952 1
1 1273 . 3 1 1 A 96 96 ASN HA H 96 4.930 4.915 0.015 1
1 1278 . 3 1 1 A 96 96 ASN C C 96 176.100 176.784 -0.684 1
1 1279 . 3 1 1 A 96 96 ASN CA C 96 51.000 51.824 -0.824 1
1 1280 . 3 1 1 A 96 96 ASN CB C 96 38.500 40.442 -1.942 1
1 1281 . 3 1 1 A 96 96 ASN N N 96 118.600 126.381 -7.781 1
1 1283 . 3 1 1 A 97 97 THR H H 97 10.580 8.815 1.765 1
1 1284 . 3 1 1 A 97 97 THR HA H 97 4.090 3.993 0.097 1
1 1289 . 3 1 1 A 97 97 THR C C 97 174.600 175.847 -1.247 1
1 1290 . 3 1 1 A 97 97 THR CA C 97 67.000 65.508 1.492 1
1 1291 . 3 1 1 A 97 97 THR CB C 97 68.300 68.458 -0.158 1
1 1293 . 3 1 1 A 97 97 THR N N 97 116.300 115.983 0.317 1
1 1294 . 3 1 1 A 98 98 VAL H H 98 8.440 7.271 1.169 1
1 1295 . 3 1 1 A 98 98 VAL HA H 98 4.180 4.062 0.118 1
1 1303 . 3 1 1 A 98 98 VAL C C 98 174.800 176.116 -1.316 1
1 1304 . 3 1 1 A 98 98 VAL CA C 98 64.400 63.978 0.422 1
1 1305 . 3 1 1 A 98 98 VAL CB C 98 33.100 31.971 1.129 1
1 1308 . 3 1 1 A 98 98 VAL N N 98 123.900 121.295 2.605 1
1 1309 . 3 1 1 A 99 99 MET H H 99 8.590 7.788 0.802 1
1 1310 . 3 1 1 A 99 99 MET HA H 99 4.720 4.872 -0.152 1
1 1318 . 3 1 1 A 99 99 MET CA C 99 52.400 52.333 0.067 1
1 1319 . 3 1 1 A 99 99 MET CB C 99 34.100 34.574 -0.474 1
1 1322 . 3 1 1 A 99 99 MET N N 99 118.700 115.501 3.199 1
1 1323 . 3 1 1 A 100 100 PRO HA H 100 4.210 4.351 -0.141 1
1 1330 . 3 1 1 A 100 100 PRO C C 100 175.900 176.048 -0.148 1
1 1331 . 3 1 1 A 100 100 PRO CA C 100 62.100 62.765 -0.665 1
1 1332 . 3 1 1 A 100 100 PRO CB C 100 31.000 32.181 -1.181 1
1 1335 . 3 1 1 A 101 101 LEU H H 101 9.010 8.554 0.456 1
1 1336 . 3 1 1 A 101 101 LEU HA H 101 4.310 4.295 0.015 1
1 1346 . 3 1 1 A 101 101 LEU C C 101 176.900 178.382 -1.482 1
1 1347 . 3 1 1 A 101 101 LEU CA C 101 55.000 55.849 -0.849 1
1 1348 . 3 1 1 A 101 101 LEU CB C 101 42.800 41.967 0.833 1
1 1352 . 3 1 1 A 101 101 LEU N N 101 124.000 120.192 3.808 1
1 1353 . 3 1 1 A 102 102 LEU H H 102 7.620 7.980 -0.360 1
1 1354 . 3 1 1 A 102 102 LEU HA H 102 4.360 4.141 0.219 1
1 1364 . 3 1 1 A 102 102 LEU C C 102 174.800 176.456 -1.656 1
1 1365 . 3 1 1 A 102 102 LEU CA C 102 54.900 57.756 -2.856 1
1 1366 . 3 1 1 A 102 102 LEU CB C 102 45.300 42.484 2.816 1
1 1370 . 3 1 1 A 102 102 LEU N N 102 119.000 120.368 -1.368 1
1 1371 . 3 1 1 A 103 103 ASP H H 103 9.120 8.071 1.049 1
1 1372 . 3 1 1 A 103 103 ASP HA H 103 5.100 4.329 0.771 1
1 1375 . 3 1 1 A 103 103 ASP C C 103 174.500 175.275 -0.775 1
1 1376 . 3 1 1 A 103 103 ASP CA C 103 54.900 54.703 0.197 1
1 1377 . 3 1 1 A 103 103 ASP CB C 103 41.000 38.125 2.875 1
1 1378 . 3 1 1 A 103 103 ASP N N 103 120.700 117.817 2.883 1
1 1379 . 3 1 1 A 104 104 GLN H H 104 8.990 8.737 0.253 1
1 1380 . 3 1 1 A 104 104 GLN HA H 104 4.710 4.612 0.098 1
1 1387 . 3 1 1 A 104 104 GLN C C 104 176.100 175.952 0.148 1
1 1388 . 3 1 1 A 104 104 GLN CA C 104 54.100 55.357 -1.257 1
1 1389 . 3 1 1 A 104 104 GLN CB C 104 28.500 29.312 -0.812 1
1 1392 . 3 1 1 A 104 104 GLN N N 104 125.400 122.066 3.334 1
1 1394 . 3 1 1 A 105 105 ARG H H 105 8.380 8.861 -0.481 1
1 1395 . 3 1 1 A 105 105 ARG HA H 105 3.510 3.917 -0.407 1
1 1402 . 3 1 1 A 105 105 ARG C C 105 177.500 177.720 -0.220 1
1 1403 . 3 1 1 A 105 105 ARG CA C 105 60.200 59.871 0.329 1
1 1404 . 3 1 1 A 105 105 ARG CB C 105 29.400 29.596 -0.196 1
1 1407 . 3 1 1 A 105 105 ARG N N 105 117.700 126.196 -8.496 1
1 1408 . 3 1 1 A 106 106 TYR H H 106 7.800 8.067 -0.267 1
1 1409 . 3 1 1 A 106 106 TYR HA H 106 4.360 4.421 -0.061 1
1 1416 . 3 1 1 A 106 106 TYR C C 106 176.800 178.112 -1.312 1
1 1417 . 3 1 1 A 106 106 TYR CA C 106 58.600 60.438 -1.838 1
1 1418 . 3 1 1 A 106 106 TYR CB C 106 36.000 37.886 -1.886 1
1 1423 . 3 1 1 A 106 106 TYR N N 106 118.100 119.520 -1.420 1
1 1424 . 3 1 1 A 107 107 LEU H H 107 7.170 8.218 -1.048 1
1 1425 . 3 1 1 A 107 107 LEU HA H 107 3.970 4.177 -0.207 1
1 1435 . 3 1 1 A 107 107 LEU C C 107 178.300 178.832 -0.532 1
1 1436 . 3 1 1 A 107 107 LEU CA C 107 56.600 58.282 -1.682 1
1 1437 . 3 1 1 A 107 107 LEU CB C 107 41.800 41.757 0.043 1
1 1441 . 3 1 1 A 107 107 LEU N N 107 121.900 121.348 0.552 1
1 1442 . 3 1 1 A 108 108 LEU H H 108 7.680 7.526 0.154 1
1 1443 . 3 1 1 A 108 108 LEU HA H 108 4.070 3.861 0.209 1
1 1453 . 3 1 1 A 108 108 LEU C C 108 177.500 177.410 0.090 1
1 1454 . 3 1 1 A 108 108 LEU CA C 108 55.400 55.992 -0.592 1
1 1455 . 3 1 1 A 108 108 LEU CB C 108 41.500 41.691 -0.191 1
1 1459 . 3 1 1 A 108 108 LEU N N 108 115.400 117.919 -2.519 1
1 1460 . 3 1 1 A 109 109 THR H H 109 7.510 7.599 -0.089 1
1 1461 . 3 1 1 A 109 109 THR HA H 109 4.310 4.616 -0.306 1
1 1466 . 3 1 1 A 109 109 THR C C 109 175.300 174.970 0.330 1
1 1467 . 3 1 1 A 109 109 THR CA C 109 61.600 62.414 -0.814 1
1 1468 . 3 1 1 A 109 109 THR CB C 109 69.500 69.934 -0.434 1
1 1470 . 3 1 1 A 109 109 THR N N 109 108.800 111.099 -2.299 1
1 1471 . 3 1 1 A 110 110 GLY H H 110 8.010 8.269 -0.259 1
1 1472 . 3 1 1 A 110 110 GLY HA2 H 110 3.950 3.797 0.153 1
1 1473 . 3 1 1 A 110 110 GLY HA3 H 110 4.030 3.805 0.225 1
1 1474 . 3 1 1 A 110 110 GLY C C 110 174.500 174.391 0.109 1
1 1475 . 3 1 1 A 110 110 GLY CA C 110 45.400 46.791 -1.391 1
1 1476 . 3 1 1 A 110 110 GLY N N 110 110.100 109.186 0.914 1
1 1477 . 3 1 1 A 111 111 GLY H H 111 8.310 8.350 -0.040 1
1 1478 . 3 1 1 A 111 111 GLY HA2 H 111 3.930 4.217 -0.287 1
1 1479 . 3 1 1 A 111 111 GLY HA3 H 111 3.930 4.225 -0.295 1
1 1480 . 3 1 1 A 111 111 GLY C C 111 173.700 173.218 0.482 1
1 1481 . 3 1 1 A 111 111 GLY CA C 111 45.400 45.398 0.002 1
1 1482 . 3 1 1 A 111 111 GLY N N 111 108.300 111.662 -3.362 1
1 1483 . 3 1 1 A 112 112 GLN H H 112 8.280 8.743 -0.463 1
1 1484 . 3 1 1 A 112 112 GLN HA H 112 4.270 3.817 0.453 1
1 1491 . 3 1 1 A 112 112 GLN C C 112 175.700 175.995 -0.295 1
1 1492 . 3 1 1 A 112 112 GLN CA C 112 55.600 56.737 -1.137 1
1 1493 . 3 1 1 A 112 112 GLN CB C 112 29.200 26.925 2.275 1
1 1496 . 3 1 1 A 112 112 GLN N N 112 119.200 117.559 1.641 1
1 1498 . 3 1 1 A 113 113 LEU H H 113 8.260 8.114 0.146 1
1 1499 . 3 1 1 A 113 113 LEU HA H 113 4.180 4.568 -0.388 1
1 1509 . 3 1 1 A 113 113 LEU C C 113 177.000 176.992 0.008 1
1 1510 . 3 1 1 A 113 113 LEU CA C 113 55.100 54.917 0.183 1
1 1511 . 3 1 1 A 113 113 LEU CB C 113 42.100 41.919 0.181 1
1 1515 . 3 1 1 A 113 113 LEU N N 113 122.800 117.683 5.117 1
1 1516 . 3 1 1 A 114 114 GLU H H 114 8.290 7.553 0.737 1
1 1517 . 3 1 1 A 114 114 GLU HA H 114 4.140 4.158 -0.018 1
1 1522 . 3 1 1 A 114 114 GLU CA C 114 56.300 57.163 -0.863 1
1 1523 . 3 1 1 A 114 114 GLU CB C 114 30.200 30.051 0.149 1
1 1 . 4 1 1 A 2 2 THR HA H 2 4.300 4.444 -0.144 1
1 6 . 4 1 1 A 2 2 THR C C 2 174.800 175.520 -0.720 1
1 7 . 4 1 1 A 2 2 THR CA C 2 61.100 62.010 -0.910 1
1 8 . 4 1 1 A 2 2 THR CB C 2 70.400 69.618 0.782 1
1 10 . 4 1 1 A 3 3 LEU H H 3 8.760 7.677 1.083 1
1 11 . 4 1 1 A 3 3 LEU HA H 3 4.110 3.930 0.180 1
1 21 . 4 1 1 A 3 3 LEU C C 3 178.300 179.255 -0.955 1
1 22 . 4 1 1 A 3 3 LEU CA C 3 57.800 57.853 -0.053 1
1 23 . 4 1 1 A 3 3 LEU CB C 3 41.600 41.144 0.456 1
1 27 . 4 1 1 A 3 3 LEU N N 3 123.600 122.247 1.353 1
1 28 . 4 1 1 A 4 4 GLU H H 4 8.740 8.009 0.731 1
1 29 . 4 1 1 A 4 4 GLU HA H 4 3.670 4.084 -0.414 1
1 34 . 4 1 1 A 4 4 GLU C C 4 177.900 179.867 -1.967 1
1 35 . 4 1 1 A 4 4 GLU CA C 4 60.000 59.263 0.737 1
1 36 . 4 1 1 A 4 4 GLU CB C 4 29.200 29.778 -0.578 1
1 38 . 4 1 1 A 4 4 GLU N N 4 116.500 119.186 -2.686 1
1 39 . 4 1 1 A 5 5 LEU H H 5 7.340 8.467 -1.127 1
1 40 . 4 1 1 A 5 5 LEU HA H 5 3.900 3.933 -0.033 1
1 50 . 4 1 1 A 5 5 LEU C C 5 178.900 179.236 -0.336 1
1 51 . 4 1 1 A 5 5 LEU CA C 5 56.900 58.062 -1.162 1
1 52 . 4 1 1 A 5 5 LEU CB C 5 41.200 41.327 -0.127 1
1 56 . 4 1 1 A 5 5 LEU N N 5 120.500 120.813 -0.313 1
1 57 . 4 1 1 A 6 6 GLN H H 6 8.350 7.868 0.482 1
1 58 . 4 1 1 A 6 6 GLN HA H 6 3.970 4.175 -0.205 1
1 63 . 4 1 1 A 6 6 GLN C C 6 179.700 178.795 0.905 1
1 64 . 4 1 1 A 6 6 GLN CA C 6 59.100 58.703 0.397 1
1 65 . 4 1 1 A 6 6 GLN CB C 6 29.100 28.153 0.947 1
1 67 . 4 1 1 A 6 6 GLN N N 6 120.800 118.455 2.345 1
1 68 . 4 1 1 A 7 7 LEU H H 7 8.620 7.820 0.800 1
1 69 . 4 1 1 A 7 7 LEU HA H 7 4.010 4.177 -0.167 1
1 79 . 4 1 1 A 7 7 LEU C C 7 176.900 178.792 -1.892 1
1 80 . 4 1 1 A 7 7 LEU CA C 7 57.800 57.911 -0.111 1
1 81 . 4 1 1 A 7 7 LEU CB C 7 41.700 41.724 -0.024 1
1 85 . 4 1 1 A 7 7 LEU N N 7 121.000 121.935 -0.935 1
1 86 . 4 1 1 A 8 8 LYS H H 8 7.750 7.686 0.064 1
1 87 . 4 1 1 A 8 8 LYS HA H 8 3.570 4.079 -0.509 1
1 96 . 4 1 1 A 8 8 LYS C C 8 179.400 178.880 0.520 1
1 97 . 4 1 1 A 8 8 LYS CA C 8 59.000 58.750 0.250 1
1 98 . 4 1 1 A 8 8 LYS CB C 8 32.400 32.016 0.384 1
1 102 . 4 1 1 A 8 8 LYS N N 8 119.700 118.964 0.736 1
1 103 . 4 1 1 A 9 9 HIS H H 9 8.520 8.054 0.466 1
1 104 . 4 1 1 A 9 9 HIS HA H 9 4.050 4.447 -0.397 1
1 107 . 4 1 1 A 9 9 HIS C C 9 176.500 176.740 -0.240 1
1 108 . 4 1 1 A 9 9 HIS CA C 9 59.400 59.104 0.296 1
1 109 . 4 1 1 A 9 9 HIS CB C 9 29.900 30.424 -0.524 1
1 110 . 4 1 1 A 9 9 HIS N N 9 120.500 120.033 0.467 1
1 111 . 4 1 1 A 10 10 TYR H H 10 7.990 8.457 -0.467 1
1 112 . 4 1 1 A 10 10 TYR HA H 10 4.160 4.042 0.118 1
1 119 . 4 1 1 A 10 10 TYR C C 10 177.400 177.183 0.217 1
1 120 . 4 1 1 A 10 10 TYR CA C 10 61.800 61.626 0.174 1
1 121 . 4 1 1 A 10 10 TYR CB C 10 39.500 38.986 0.514 1
1 126 . 4 1 1 A 10 10 TYR N N 10 119.200 120.157 -0.957 1
1 127 . 4 1 1 A 11 11 ILE H H 11 8.710 8.582 0.128 1
1 128 . 4 1 1 A 11 11 ILE HA H 11 3.540 3.616 -0.076 1
1 138 . 4 1 1 A 11 11 ILE CA C 11 61.600 64.614 -3.014 1
1 139 . 4 1 1 A 11 11 ILE CB C 11 36.200 37.949 -1.749 1
1 143 . 4 1 1 A 11 11 ILE N N 11 118.900 120.764 -1.864 1
1 144 . 4 1 1 A 12 12 THR HA H 12 3.840 4.042 -0.202 1
1 149 . 4 1 1 A 12 12 THR C C 12 176.900 177.387 -0.487 1
1 150 . 4 1 1 A 12 12 THR CA C 12 66.400 65.955 0.445 1
1 151 . 4 1 1 A 12 12 THR CB C 12 68.300 68.278 0.022 1
1 153 . 4 1 1 A 13 13 ASN H H 13 7.440 8.005 -0.565 1
1 154 . 4 1 1 A 13 13 ASN HA H 13 4.420 4.385 0.035 1
1 159 . 4 1 1 A 13 13 ASN C C 13 176.700 177.540 -0.840 1
1 160 . 4 1 1 A 13 13 ASN CA C 13 55.900 56.144 -0.244 1
1 161 . 4 1 1 A 13 13 ASN CB C 13 38.600 37.860 0.740 1
1 163 . 4 1 1 A 13 13 ASN N N 13 118.300 121.322 -3.022 1
1 165 . 4 1 1 A 14 14 LEU H H 14 7.890 7.484 0.406 1
1 166 . 4 1 1 A 14 14 LEU HA H 14 3.660 3.698 -0.038 1
1 176 . 4 1 1 A 14 14 LEU C C 14 177.900 177.771 0.129 1
1 177 . 4 1 1 A 14 14 LEU CA C 14 57.600 57.690 -0.090 1
1 178 . 4 1 1 A 14 14 LEU CB C 14 42.600 41.400 1.200 1
1 182 . 4 1 1 A 14 14 LEU N N 14 122.100 121.564 0.536 1
1 183 . 4 1 1 A 15 15 PHE H H 15 7.670 7.450 0.220 1
1 184 . 4 1 1 A 15 15 PHE HA H 15 4.490 4.527 -0.037 1
1 191 . 4 1 1 A 15 15 PHE C C 15 173.800 174.558 -0.758 1
1 192 . 4 1 1 A 15 15 PHE CA C 15 57.900 57.038 0.862 1
1 193 . 4 1 1 A 15 15 PHE CB C 15 38.900 39.579 -0.679 1
1 198 . 4 1 1 A 15 15 PHE N N 15 111.800 113.648 -1.848 1
1 199 . 4 1 1 A 16 16 ASN H H 16 7.450 8.121 -0.671 1
1 200 . 4 1 1 A 16 16 ASN HA H 16 4.420 4.435 -0.015 1
1 205 . 4 1 1 A 16 16 ASN C C 16 174.200 174.348 -0.148 1
1 206 . 4 1 1 A 16 16 ASN CA C 16 54.100 54.367 -0.267 1
1 207 . 4 1 1 A 16 16 ASN CB C 16 36.500 36.775 -0.275 1
1 209 . 4 1 1 A 16 16 ASN N N 16 118.500 114.180 4.320 1
1 211 . 4 1 1 A 17 17 LEU H H 17 8.410 7.750 0.660 1
1 212 . 4 1 1 A 17 17 LEU HA H 17 4.630 4.481 0.149 1
1 222 . 4 1 1 A 17 17 LEU CA C 17 52.300 52.953 -0.653 1
1 223 . 4 1 1 A 17 17 LEU CB C 17 41.000 41.364 -0.364 1
1 227 . 4 1 1 A 17 17 LEU N N 17 118.700 120.099 -1.399 1
1 228 . 4 1 1 A 18 18 PRO HA H 18 4.380 4.485 -0.105 1
1 235 . 4 1 1 A 18 18 PRO C C 18 178.600 177.606 0.994 1
1 236 . 4 1 1 A 18 18 PRO CA C 18 63.100 63.487 -0.387 1
1 237 . 4 1 1 A 18 18 PRO CB C 18 31.800 32.297 -0.497 1
1 240 . 4 1 1 A 19 19 ARG H H 19 8.650 9.007 -0.357 1
1 241 . 4 1 1 A 19 19 ARG HA H 19 3.820 4.348 -0.528 1
1 248 . 4 1 1 A 19 19 ARG C C 19 176.500 177.198 -0.698 1
1 249 . 4 1 1 A 19 19 ARG CA C 19 58.100 58.429 -0.329 1
1 250 . 4 1 1 A 19 19 ARG CB C 19 30.300 30.383 -0.083 1
1 253 . 4 1 1 A 19 19 ARG N N 19 124.600 125.106 -0.506 1
1 254 . 4 1 1 A 20 20 ASP H H 20 8.390 7.849 0.541 1
1 255 . 4 1 1 A 20 20 ASP HA H 20 4.550 4.627 -0.077 1
1 258 . 4 1 1 A 20 20 ASP C C 20 175.700 176.048 -0.348 1
1 259 . 4 1 1 A 20 20 ASP CA C 20 53.000 53.595 -0.595 1
1 260 . 4 1 1 A 20 20 ASP CB C 20 40.400 41.110 -0.710 1
1 261 . 4 1 1 A 20 20 ASP N N 20 114.300 118.514 -4.214 1
1 262 . 4 1 1 A 21 21 GLU H H 21 6.780 7.892 -1.112 1
1 263 . 4 1 1 A 21 21 GLU HA H 21 4.150 4.644 -0.494 1
1 268 . 4 1 1 A 21 21 GLU C C 21 175.400 175.304 0.096 1
1 269 . 4 1 1 A 21 21 GLU CA C 21 56.200 55.729 0.471 1
1 270 . 4 1 1 A 21 21 GLU CB C 21 31.600 30.600 1.000 1
1 272 . 4 1 1 A 21 21 GLU N N 21 121.600 119.824 1.776 1
1 273 . 4 1 1 A 22 22 LYS H H 22 8.860 8.654 0.206 1
1 274 . 4 1 1 A 22 22 LYS HA H 22 4.160 4.281 -0.121 1
1 283 . 4 1 1 A 22 22 LYS C C 22 176.100 175.955 0.145 1
1 284 . 4 1 1 A 22 22 LYS CA C 22 57.200 55.826 1.374 1
1 285 . 4 1 1 A 22 22 LYS CB C 22 33.000 33.389 -0.389 1
1 289 . 4 1 1 A 22 22 LYS N N 22 128.900 125.986 2.914 1
1 290 . 4 1 1 A 23 23 TRP H H 23 8.750 8.658 0.092 1
1 291 . 4 1 1 A 23 23 TRP HA H 23 5.400 5.051 0.349 1
1 300 . 4 1 1 A 23 23 TRP C C 23 176.500 175.720 0.780 1
1 301 . 4 1 1 A 23 23 TRP CA C 23 54.600 56.648 -2.048 1
1 302 . 4 1 1 A 23 23 TRP CB C 23 31.100 33.022 -1.922 1
1 308 . 4 1 1 A 23 23 TRP N N 23 126.100 126.398 -0.298 1
1 310 . 4 1 1 A 24 24 GLU H H 24 9.040 8.355 0.685 1
1 311 . 4 1 1 A 24 24 GLU HA H 24 4.590 4.865 -0.275 1
1 316 . 4 1 1 A 24 24 GLU C C 24 174.100 175.445 -1.345 1
1 317 . 4 1 1 A 24 24 GLU CA C 24 54.200 54.994 -0.794 1
1 318 . 4 1 1 A 24 24 GLU CB C 24 31.600 31.708 -0.108 1
1 320 . 4 1 1 A 24 24 GLU N N 24 122.700 120.139 2.561 1
1 321 . 4 1 1 A 25 25 CYS H H 25 8.740 9.049 -0.309 1
1 322 . 4 1 1 A 25 25 CYS HA H 25 4.870 4.392 0.478 1
1 325 . 4 1 1 A 25 25 CYS C C 25 174.400 173.759 0.641 1
1 326 . 4 1 1 A 25 25 CYS CA C 25 57.200 58.555 -1.355 1
1 327 . 4 1 1 A 25 25 CYS CB C 25 30.200 28.370 1.830 1
1 328 . 4 1 1 A 25 25 CYS N N 25 119.900 125.756 -5.856 1
1 329 . 4 1 1 A 26 26 GLU H H 26 9.220 8.518 0.702 1
1 330 . 4 1 1 A 26 26 GLU HA H 26 4.740 5.095 -0.355 1
1 335 . 4 1 1 A 26 26 GLU C C 26 175.000 174.353 0.647 1
1 336 . 4 1 1 A 26 26 GLU CA C 26 55.100 54.731 0.369 1
1 337 . 4 1 1 A 26 26 GLU CB C 26 31.700 32.609 -0.909 1
1 339 . 4 1 1 A 26 26 GLU N N 26 131.200 127.557 3.643 1
1 340 . 4 1 1 A 27 27 SER H H 27 8.900 8.853 0.047 1
1 341 . 4 1 1 A 27 27 SER HA H 27 5.750 5.100 0.650 1
1 344 . 4 1 1 A 27 27 SER C C 27 173.600 173.790 -0.190 1
1 345 . 4 1 1 A 27 27 SER CA C 27 56.700 56.939 -0.239 1
1 346 . 4 1 1 A 27 27 SER CB C 27 64.200 64.137 0.063 1
1 347 . 4 1 1 A 27 27 SER N N 27 125.100 122.364 2.736 1
1 348 . 4 1 1 A 28 28 ILE H H 28 8.540 8.971 -0.431 1
1 349 . 4 1 1 A 28 28 ILE HA H 28 4.680 4.865 -0.185 1
1 359 . 4 1 1 A 28 28 ILE C C 28 174.100 173.817 0.283 1
1 360 . 4 1 1 A 28 28 ILE CA C 28 59.800 59.013 0.787 1
1 361 . 4 1 1 A 28 28 ILE CB C 28 42.700 42.080 0.620 1
1 365 . 4 1 1 A 28 28 ILE N N 28 123.200 122.052 1.148 1
1 366 . 4 1 1 A 29 29 GLU H H 29 8.430 8.524 -0.094 1
1 367 . 4 1 1 A 29 29 GLU HA H 29 5.430 5.090 0.340 1
1 372 . 4 1 1 A 29 29 GLU C C 29 176.000 175.698 0.302 1
1 373 . 4 1 1 A 29 29 GLU CA C 29 55.600 55.141 0.459 1
1 374 . 4 1 1 A 29 29 GLU CB C 29 31.200 31.008 0.192 1
1 376 . 4 1 1 A 29 29 GLU N N 29 123.900 121.915 1.985 1
1 377 . 4 1 1 A 30 30 GLU H H 30 8.850 8.494 0.356 1
1 378 . 4 1 1 A 30 30 GLU HA H 30 4.730 4.916 -0.186 1
1 383 . 4 1 1 A 30 30 GLU C C 30 174.300 175.995 -1.695 1
1 384 . 4 1 1 A 30 30 GLU CA C 30 54.700 54.250 0.450 1
1 385 . 4 1 1 A 30 30 GLU CB C 30 34.400 34.038 0.362 1
1 387 . 4 1 1 A 30 30 GLU N N 30 121.900 123.784 -1.884 1
1 388 . 4 1 1 A 31 31 VAL H H 31 9.260 8.892 0.368 1
1 389 . 4 1 1 A 31 31 VAL HA H 31 4.250 4.122 0.128 1
1 397 . 4 1 1 A 31 31 VAL C C 31 177.700 176.724 0.976 1
1 398 . 4 1 1 A 31 31 VAL CA C 31 62.500 63.540 -1.040 1
1 399 . 4 1 1 A 31 31 VAL CB C 31 31.800 31.947 -0.147 1
1 402 . 4 1 1 A 31 31 VAL N N 31 124.500 122.821 1.679 1
1 403 . 4 1 1 A 32 32 ALA H H 32 9.250 8.774 0.476 1
1 404 . 4 1 1 A 32 32 ALA HA H 32 3.710 4.038 -0.328 1
1 408 . 4 1 1 A 32 32 ALA C C 32 178.600 178.977 -0.377 1
1 409 . 4 1 1 A 32 32 ALA CA C 32 55.800 55.804 -0.004 1
1 410 . 4 1 1 A 32 32 ALA CB C 32 19.400 18.153 1.247 1
1 411 . 4 1 1 A 32 32 ALA N N 32 129.900 128.503 1.397 1
1 412 . 4 1 1 A 33 33 ASP H H 33 9.510 8.746 0.764 1
1 413 . 4 1 1 A 33 33 ASP HA H 33 4.180 4.478 -0.298 1
1 416 . 4 1 1 A 33 33 ASP C C 33 176.300 176.589 -0.289 1
1 417 . 4 1 1 A 33 33 ASP CA C 33 54.600 55.212 -0.612 1
1 418 . 4 1 1 A 33 33 ASP CB C 33 39.200 39.299 -0.099 1
1 419 . 4 1 1 A 33 33 ASP N N 33 110.700 116.319 -5.619 1
1 420 . 4 1 1 A 34 34 ASP H H 34 7.830 8.266 -0.436 1
1 421 . 4 1 1 A 34 34 ASP HA H 34 4.650 4.530 0.120 1
1 424 . 4 1 1 A 34 34 ASP C C 34 176.300 176.996 -0.696 1
1 425 . 4 1 1 A 34 34 ASP CA C 34 55.100 56.092 -0.992 1
1 426 . 4 1 1 A 34 34 ASP CB C 34 41.000 41.141 -0.141 1
1 427 . 4 1 1 A 34 34 ASP N N 34 114.700 118.991 -4.291 1
1 428 . 4 1 1 A 35 35 ILE H H 35 7.290 7.262 0.028 1
1 429 . 4 1 1 A 35 35 ILE HA H 35 4.490 4.413 0.077 1
1 439 . 4 1 1 A 35 35 ILE C C 35 174.100 174.870 -0.770 1
1 440 . 4 1 1 A 35 35 ILE CA C 35 60.700 60.506 0.194 1
1 441 . 4 1 1 A 35 35 ILE CB C 35 40.600 39.492 1.108 1
1 445 . 4 1 1 A 35 35 ILE N N 35 113.400 111.208 2.192 1
1 446 . 4 1 1 A 36 36 LEU H H 36 7.730 8.458 -0.728 1
1 447 . 4 1 1 A 36 36 LEU HA H 36 4.800 4.799 0.001 1
1 457 . 4 1 1 A 36 36 LEU CA C 36 52.200 51.343 0.857 1
1 458 . 4 1 1 A 36 36 LEU CB C 36 42.700 42.896 -0.196 1
1 462 . 4 1 1 A 36 36 LEU N N 36 120.400 124.096 -3.696 1
1 463 . 4 1 1 A 37 37 PRO HA H 37 4.440 4.591 -0.151 1
1 470 . 4 1 1 A 37 37 PRO C C 37 177.100 177.354 -0.254 1
1 471 . 4 1 1 A 37 37 PRO CA C 37 63.100 63.003 0.097 1
1 472 . 4 1 1 A 37 37 PRO CB C 37 32.700 32.854 -0.154 1
1 475 . 4 1 1 A 38 38 ASP H H 38 8.690 8.715 -0.025 1
1 476 . 4 1 1 A 38 38 ASP HA H 38 4.230 4.297 -0.067 1
1 479 . 4 1 1 A 38 38 ASP C C 38 177.800 178.513 -0.713 1
1 480 . 4 1 1 A 38 38 ASP CA C 38 57.900 57.011 0.889 1
1 481 . 4 1 1 A 38 38 ASP CB C 38 42.200 40.472 1.728 1
1 482 . 4 1 1 A 38 38 ASP N N 38 123.800 122.140 1.660 1
1 483 . 4 1 1 A 39 39 GLN H H 39 9.080 8.151 0.929 1
1 484 . 4 1 1 A 39 39 GLN HA H 39 3.990 3.969 0.021 1
1 491 . 4 1 1 A 39 39 GLN C C 39 176.400 177.045 -0.645 1
1 492 . 4 1 1 A 39 39 GLN CA C 39 58.000 58.508 -0.508 1
1 493 . 4 1 1 A 39 39 GLN CB C 39 27.300 28.274 -0.974 1
1 496 . 4 1 1 A 39 39 GLN N N 39 115.100 120.157 -5.057 1
1 498 . 4 1 1 A 40 40 TYR H H 40 7.510 8.115 -0.605 1
1 499 . 4 1 1 A 40 40 TYR HA H 40 4.730 4.653 0.077 1
1 506 . 4 1 1 A 40 40 TYR C C 40 174.200 176.181 -1.981 1
1 507 . 4 1 1 A 40 40 TYR CA C 40 57.000 57.369 -0.369 1
1 508 . 4 1 1 A 40 40 TYR CB C 40 39.400 38.599 0.801 1
1 513 . 4 1 1 A 40 40 TYR N N 40 116.800 116.763 0.037 1
1 514 . 4 1 1 A 41 41 VAL H H 41 7.370 7.630 -0.260 1
1 515 . 4 1 1 A 41 41 VAL HA H 41 4.000 4.469 -0.469 1
1 523 . 4 1 1 A 41 41 VAL C C 41 175.400 175.209 0.191 1
1 524 . 4 1 1 A 41 41 VAL CA C 41 62.800 60.745 2.055 1
1 525 . 4 1 1 A 41 41 VAL CB C 41 34.300 32.164 2.136 1
1 528 . 4 1 1 A 41 41 VAL N N 41 116.100 118.839 -2.739 1
1 529 . 4 1 1 A 42 42 ARG H H 42 7.990 7.655 0.335 1
1 530 . 4 1 1 A 42 42 ARG HA H 42 3.970 4.439 -0.469 1
1 537 . 4 1 1 A 42 42 ARG C C 42 176.600 176.615 -0.015 1
1 538 . 4 1 1 A 42 42 ARG CA C 42 58.500 55.003 3.497 1
1 539 . 4 1 1 A 42 42 ARG CB C 42 29.700 28.719 0.981 1
1 542 . 4 1 1 A 42 42 ARG N N 42 120.900 123.475 -2.575 1
1 543 . 4 1 1 A 43 43 LEU H H 43 8.930 8.622 0.308 1
1 544 . 4 1 1 A 43 43 LEU HA H 43 4.060 3.841 0.219 1
1 554 . 4 1 1 A 43 43 LEU C C 43 176.200 176.441 -0.241 1
1 555 . 4 1 1 A 43 43 LEU CA C 43 56.100 56.316 -0.216 1
1 556 . 4 1 1 A 43 43 LEU CB C 43 40.100 40.100 0.000 1
1 560 . 4 1 1 A 43 43 LEU N N 43 119.500 123.894 -4.394 1
1 561 . 4 1 1 A 44 44 GLY H H 44 7.890 7.974 -0.084 1
1 562 . 4 1 1 A 44 44 GLY HA2 H 44 3.930 4.020 -0.090 1
1 563 . 4 1 1 A 44 44 GLY HA3 H 44 4.540 4.021 0.519 1
1 564 . 4 1 1 A 44 44 GLY CA C 44 44.900 44.767 0.133 1
1 565 . 4 1 1 A 44 44 GLY N N 44 107.000 107.775 -0.775 1
1 566 . 4 1 1 A 45 45 PRO HA H 45 4.360 4.476 -0.116 1
1 573 . 4 1 1 A 45 45 PRO C C 45 176.900 177.745 -0.845 1
1 574 . 4 1 1 A 45 45 PRO CA C 45 64.400 64.181 0.219 1
1 575 . 4 1 1 A 45 45 PRO CB C 45 31.900 31.769 0.131 1
1 578 . 4 1 1 A 46 46 LEU H H 46 8.660 7.944 0.716 1
1 579 . 4 1 1 A 46 46 LEU HA H 46 3.970 4.213 -0.243 1
1 589 . 4 1 1 A 46 46 LEU C C 46 176.300 176.700 -0.400 1
1 590 . 4 1 1 A 46 46 LEU CA C 46 55.900 55.453 0.447 1
1 591 . 4 1 1 A 46 46 LEU CB C 46 43.500 41.671 1.829 1
1 595 . 4 1 1 A 46 46 LEU N N 46 117.000 117.577 -0.577 1
1 596 . 4 1 1 A 47 47 SER H H 47 7.160 7.244 -0.084 1
1 597 . 4 1 1 A 47 47 SER HA H 47 4.080 4.367 -0.287 1
1 600 . 4 1 1 A 47 47 SER C C 47 176.600 174.416 2.184 1
1 601 . 4 1 1 A 47 47 SER CA C 47 59.100 58.678 0.422 1
1 602 . 4 1 1 A 47 47 SER CB C 47 62.800 63.072 -0.272 1
1 603 . 4 1 1 A 47 47 SER N N 47 110.300 115.162 -4.862 1
1 604 . 4 1 1 A 48 48 ASN H H 48 11.000 9.024 1.976 1
1 605 . 4 1 1 A 48 48 ASN HA H 48 4.090 4.274 -0.184 1
1 610 . 4 1 1 A 48 48 ASN C C 48 174.700 173.498 1.202 1
1 611 . 4 1 1 A 48 48 ASN CA C 48 55.200 54.290 0.910 1
1 612 . 4 1 1 A 48 48 ASN CB C 48 38.300 37.273 1.027 1
1 614 . 4 1 1 A 48 48 ASN N N 48 123.200 117.533 5.667 1
1 616 . 4 1 1 A 49 49 LYS H H 49 7.830 7.350 0.480 1
1 617 . 4 1 1 A 49 49 LYS HA H 49 4.360 4.768 -0.408 1
1 626 . 4 1 1 A 49 49 LYS C C 49 175.100 175.318 -0.218 1
1 627 . 4 1 1 A 49 49 LYS CA C 49 56.100 54.961 1.139 1
1 628 . 4 1 1 A 49 49 LYS CB C 49 33.200 34.675 -1.475 1
1 632 . 4 1 1 A 49 49 LYS N N 49 119.400 118.101 1.299 1
1 633 . 4 1 1 A 50 50 ILE H H 50 8.570 8.591 -0.021 1
1 634 . 4 1 1 A 50 50 ILE HA H 50 4.160 4.364 -0.204 1
1 644 . 4 1 1 A 50 50 ILE C C 50 175.000 175.308 -0.308 1
1 645 . 4 1 1 A 50 50 ILE CA C 50 61.200 60.938 0.262 1
1 646 . 4 1 1 A 50 50 ILE CB C 50 36.900 37.584 -0.684 1
1 650 . 4 1 1 A 50 50 ILE N N 50 123.000 126.770 -3.770 1
1 651 . 4 1 1 A 51 51 LEU H H 51 9.270 8.505 0.765 1
1 652 . 4 1 1 A 51 51 LEU HA H 51 5.170 5.209 -0.039 1
1 662 . 4 1 1 A 51 51 LEU C C 51 176.300 175.956 0.344 1
1 663 . 4 1 1 A 51 51 LEU CA C 51 52.500 53.715 -1.215 1
1 664 . 4 1 1 A 51 51 LEU CB C 51 42.600 45.092 -2.492 1
1 668 . 4 1 1 A 51 51 LEU N N 51 127.000 128.699 -1.699 1
1 669 . 4 1 1 A 52 52 GLN H H 52 9.110 8.245 0.865 1
1 670 . 4 1 1 A 52 52 GLN HA H 52 4.590 4.951 -0.361 1
1 677 . 4 1 1 A 52 52 GLN C C 52 175.000 174.819 0.181 1
1 678 . 4 1 1 A 52 52 GLN CA C 52 56.800 55.800 1.000 1
1 679 . 4 1 1 A 52 52 GLN CB C 52 29.200 29.354 -0.154 1
1 682 . 4 1 1 A 52 52 GLN N N 52 122.700 122.785 -0.085 1
1 684 . 4 1 1 A 53 53 THR H H 53 9.110 8.858 0.252 1
1 685 . 4 1 1 A 53 53 THR HA H 53 4.730 4.840 -0.110 1
1 690 . 4 1 1 A 53 53 THR C C 53 172.500 173.954 -1.454 1
1 691 . 4 1 1 A 53 53 THR CA C 53 60.500 62.555 -2.055 1
1 692 . 4 1 1 A 53 53 THR CB C 53 69.800 69.796 0.004 1
1 694 . 4 1 1 A 53 53 THR N N 53 121.500 121.747 -0.247 1
1 695 . 4 1 1 A 54 54 ASN H H 54 8.210 9.310 -1.100 1
1 696 . 4 1 1 A 54 54 ASN HA H 54 5.400 5.371 0.029 1
1 701 . 4 1 1 A 54 54 ASN C C 54 172.900 174.384 -1.484 1
1 702 . 4 1 1 A 54 54 ASN CA C 54 52.400 52.402 -0.002 1
1 703 . 4 1 1 A 54 54 ASN CB C 54 40.900 38.673 2.227 1
1 705 . 4 1 1 A 54 54 ASN N N 54 125.400 125.367 0.033 1
1 707 . 4 1 1 A 55 55 THR H H 55 8.510 8.675 -0.165 1
1 708 . 4 1 1 A 55 55 THR HA H 55 5.120 4.867 0.253 1
1 713 . 4 1 1 A 55 55 THR C C 55 172.800 174.003 -1.203 1
1 714 . 4 1 1 A 55 55 THR CA C 55 61.400 62.330 -0.930 1
1 715 . 4 1 1 A 55 55 THR CB C 55 69.700 69.663 0.037 1
1 717 . 4 1 1 A 55 55 THR N N 55 119.300 122.023 -2.723 1
1 718 . 4 1 1 A 56 56 TYR H H 56 8.460 9.286 -0.826 1
1 719 . 4 1 1 A 56 56 TYR HA H 56 5.260 5.761 -0.501 1
1 726 . 4 1 1 A 56 56 TYR C C 56 173.400 175.144 -1.744 1
1 727 . 4 1 1 A 56 56 TYR CA C 56 57.500 56.541 0.959 1
1 728 . 4 1 1 A 56 56 TYR CB C 56 41.400 40.712 0.688 1
1 733 . 4 1 1 A 56 56 TYR N N 56 125.400 126.910 -1.510 1
1 734 . 4 1 1 A 57 57 TYR H H 57 8.450 9.028 -0.578 1
1 735 . 4 1 1 A 57 57 TYR HA H 57 4.530 5.707 -1.177 1
1 742 . 4 1 1 A 57 57 TYR C C 57 172.400 173.580 -1.180 1
1 743 . 4 1 1 A 57 57 TYR CA C 57 56.600 55.540 1.060 1
1 744 . 4 1 1 A 57 57 TYR CB C 57 41.700 42.188 -0.488 1
1 749 . 4 1 1 A 57 57 TYR N N 57 113.900 120.087 -6.187 1
1 750 . 4 1 1 A 58 58 SER H H 58 7.100 8.582 -1.482 1
1 751 . 4 1 1 A 58 58 SER HA H 58 4.750 4.826 -0.076 1
1 754 . 4 1 1 A 58 58 SER C C 58 173.800 174.637 -0.837 1
1 755 . 4 1 1 A 58 58 SER CA C 58 56.600 55.947 0.653 1
1 756 . 4 1 1 A 58 58 SER CB C 58 65.600 66.615 -1.015 1
1 757 . 4 1 1 A 58 58 SER N N 58 114.200 115.769 -1.569 1
1 758 . 4 1 1 A 59 59 ASP H H 59 9.140 9.040 0.100 1
1 759 . 4 1 1 A 59 59 ASP HA H 59 4.550 4.365 0.185 1
1 762 . 4 1 1 A 59 59 ASP C C 59 179.000 178.333 0.667 1
1 763 . 4 1 1 A 59 59 ASP CA C 59 58.500 57.973 0.527 1
1 764 . 4 1 1 A 59 59 ASP CB C 59 40.400 40.230 0.170 1
1 765 . 4 1 1 A 59 59 ASP N N 59 121.800 121.872 -0.072 1
1 766 . 4 1 1 A 60 60 THR H H 60 9.060 8.042 1.018 1
1 767 . 4 1 1 A 60 60 THR HA H 60 4.000 3.974 0.026 1
1 772 . 4 1 1 A 60 60 THR C C 60 178.000 176.380 1.620 1
1 773 . 4 1 1 A 60 60 THR CA C 60 67.300 67.338 -0.038 1
1 774 . 4 1 1 A 60 60 THR CB C 60 67.300 67.906 -0.606 1
1 776 . 4 1 1 A 60 60 THR N N 60 114.800 117.187 -2.387 1
1 777 . 4 1 1 A 61 61 LEU H H 61 7.950 8.026 -0.076 1
1 778 . 4 1 1 A 61 61 LEU HA H 61 3.610 3.744 -0.134 1
1 788 . 4 1 1 A 61 61 LEU C C 61 178.900 178.902 -0.002 1
1 789 . 4 1 1 A 61 61 LEU CA C 61 58.600 57.612 0.988 1
1 790 . 4 1 1 A 61 61 LEU CB C 61 39.500 41.473 -1.973 1
1 794 . 4 1 1 A 61 61 LEU N N 61 126.100 120.724 5.376 1
1 795 . 4 1 1 A 62 62 HIS H H 62 8.260 8.475 -0.215 1
1 796 . 4 1 1 A 62 62 HIS HA H 62 4.470 3.848 0.622 1
1 800 . 4 1 1 A 62 62 HIS C C 62 178.900 176.716 2.184 1
1 801 . 4 1 1 A 62 62 HIS CA C 62 58.600 60.396 -1.796 1
1 802 . 4 1 1 A 62 62 HIS CB C 62 29.500 29.889 -0.389 1
1 804 . 4 1 1 A 62 62 HIS N N 62 116.000 117.718 -1.718 1
1 805 . 4 1 1 A 63 63 LYS H H 63 7.790 7.940 -0.150 1
1 806 . 4 1 1 A 63 63 LYS HA H 63 3.960 3.785 0.175 1
1 815 . 4 1 1 A 63 63 LYS C C 63 177.900 178.340 -0.440 1
1 816 . 4 1 1 A 63 63 LYS CA C 63 59.200 59.202 -0.002 1
1 817 . 4 1 1 A 63 63 LYS CB C 63 32.400 32.177 0.223 1
1 821 . 4 1 1 A 63 63 LYS N N 63 119.100 119.615 -0.515 1
1 822 . 4 1 1 A 64 64 SER H H 64 7.580 7.687 -0.107 1
1 823 . 4 1 1 A 64 64 SER HA H 64 4.260 4.245 0.015 1
1 826 . 4 1 1 A 64 64 SER C C 64 172.100 174.232 -2.132 1
1 827 . 4 1 1 A 64 64 SER CA C 64 59.300 58.616 0.684 1
1 828 . 4 1 1 A 64 64 SER CB C 64 63.600 63.525 0.075 1
1 829 . 4 1 1 A 64 64 SER N N 64 112.470 112.411 0.059 1
1 830 . 4 1 1 A 65 65 ASN H H 65 7.760 7.620 0.140 1
1 831 . 4 1 1 A 65 65 ASN HA H 65 3.870 4.040 -0.170 1
1 836 . 4 1 1 A 65 65 ASN C C 65 171.100 173.630 -2.530 1
1 837 . 4 1 1 A 65 65 ASN CA C 65 54.300 54.387 -0.087 1
1 838 . 4 1 1 A 65 65 ASN CB C 65 37.500 36.577 0.923 1
1 840 . 4 1 1 A 65 65 ASN N N 65 117.600 115.311 2.289 1
1 842 . 4 1 1 A 66 66 ILE H H 66 6.820 7.151 -0.331 1
1 843 . 4 1 1 A 66 66 ILE HA H 66 4.590 4.487 0.103 1
1 853 . 4 1 1 A 66 66 ILE C C 66 174.000 174.071 -0.071 1
1 854 . 4 1 1 A 66 66 ILE CA C 66 58.200 60.021 -1.821 1
1 855 . 4 1 1 A 66 66 ILE CB C 66 40.200 39.993 0.207 1
1 859 . 4 1 1 A 66 66 ILE N N 66 113.900 118.263 -4.363 1
1 860 . 4 1 1 A 67 67 TYR H H 67 8.530 8.309 0.221 1
1 861 . 4 1 1 A 67 67 TYR HA H 67 5.050 5.384 -0.334 1
1 868 . 4 1 1 A 67 67 TYR CA C 67 54.000 54.865 -0.865 1
1 869 . 4 1 1 A 67 67 TYR CB C 67 39.400 39.069 0.331 1
1 874 . 4 1 1 A 67 67 TYR N N 67 120.200 125.936 -5.736 1
1 875 . 4 1 1 A 68 68 PRO HA H 68 5.120 5.115 0.005 1
1 882 . 4 1 1 A 68 68 PRO C C 68 174.600 176.948 -2.348 1
1 883 . 4 1 1 A 68 68 PRO CA C 68 61.500 62.632 -1.132 1
1 884 . 4 1 1 A 68 68 PRO CB C 68 32.200 32.496 -0.296 1
1 887 . 4 1 1 A 69 69 PHE H H 69 8.870 8.681 0.189 1
1 888 . 4 1 1 A 69 69 PHE HA H 69 6.330 5.516 0.814 1
1 896 . 4 1 1 A 69 69 PHE C C 69 173.000 172.853 0.147 1
1 897 . 4 1 1 A 69 69 PHE CA C 69 56.300 56.263 0.037 1
1 898 . 4 1 1 A 69 69 PHE CB C 69 42.900 42.293 0.607 1
1 903 . 4 1 1 A 69 69 PHE N N 69 118.400 118.130 0.270 1
1 904 . 4 1 1 A 70 70 ILE H H 70 9.060 8.688 0.372 1
1 905 . 4 1 1 A 70 70 ILE HA H 70 4.840 4.699 0.141 1
1 915 . 4 1 1 A 70 70 ILE C C 70 175.700 174.791 0.909 1
1 916 . 4 1 1 A 70 70 ILE CA C 70 61.900 60.031 1.869 1
1 917 . 4 1 1 A 70 70 ILE CB C 70 43.000 42.458 0.542 1
1 921 . 4 1 1 A 70 70 ILE N N 70 117.700 121.300 -3.600 1
1 922 . 4 1 1 A 71 71 LEU H H 71 9.320 8.717 0.603 1
1 923 . 4 1 1 A 71 71 LEU HA H 71 5.720 5.338 0.382 1
1 933 . 4 1 1 A 71 71 LEU C C 71 175.600 175.518 0.082 1
1 934 . 4 1 1 A 71 71 LEU CA C 71 52.400 53.753 -1.353 1
1 935 . 4 1 1 A 71 71 LEU CB C 71 43.700 43.375 0.325 1
1 939 . 4 1 1 A 71 71 LEU N N 71 124.800 126.296 -1.496 1
1 940 . 4 1 1 A 72 72 TYR H H 72 9.250 9.248 0.002 1
1 941 . 4 1 1 A 72 72 TYR HA H 72 5.350 5.397 -0.047 1
1 948 . 4 1 1 A 72 72 TYR C C 72 174.100 174.790 -0.690 1
1 949 . 4 1 1 A 72 72 TYR CA C 72 57.300 56.812 0.488 1
1 950 . 4 1 1 A 72 72 TYR CB C 72 44.500 42.011 2.489 1
1 955 . 4 1 1 A 72 72 TYR N N 72 120.700 123.032 -2.332 1
1 956 . 4 1 1 A 73 73 TYR H H 73 9.250 9.025 0.225 1
1 957 . 4 1 1 A 73 73 TYR HA H 73 5.110 4.953 0.157 1
1 964 . 4 1 1 A 73 73 TYR C C 73 174.500 174.755 -0.255 1
1 965 . 4 1 1 A 73 73 TYR CA C 73 56.500 57.892 -1.392 1
1 966 . 4 1 1 A 73 73 TYR CB C 73 40.400 41.673 -1.273 1
1 971 . 4 1 1 A 73 73 TYR N N 73 120.300 123.518 -3.218 1
1 972 . 4 1 1 A 74 74 GLN H H 74 9.310 9.053 0.257 1
1 973 . 4 1 1 A 74 74 GLN HA H 74 3.530 3.769 -0.239 1
1 980 . 4 1 1 A 74 74 GLN C C 74 175.400 174.874 0.526 1
1 981 . 4 1 1 A 74 74 GLN CA C 74 57.200 56.529 0.671 1
1 982 . 4 1 1 A 74 74 GLN CB C 74 25.500 27.281 -1.781 1
1 985 . 4 1 1 A 74 74 GLN N N 74 126.000 126.763 -0.763 1
1 987 . 4 1 1 A 75 75 LYS H H 75 8.530 8.518 0.012 1
1 988 . 4 1 1 A 75 75 LYS HA H 75 3.820 3.983 -0.163 1
1 997 . 4 1 1 A 75 75 LYS C C 75 175.500 175.241 0.259 1
1 998 . 4 1 1 A 75 75 LYS CA C 75 57.300 57.205 0.095 1
1 999 . 4 1 1 A 75 75 LYS CB C 75 30.900 30.974 -0.074 1
1 1003 . 4 1 1 A 75 75 LYS N N 75 113.600 119.118 -5.518 1
1 1004 . 4 1 1 A 76 76 GLN H H 76 8.550 7.846 0.704 1
1 1005 . 4 1 1 A 76 76 GLN HA H 76 4.470 4.666 -0.196 1
1 1012 . 4 1 1 A 76 76 GLN C C 76 175.400 174.123 1.277 1
1 1013 . 4 1 1 A 76 76 GLN CA C 76 54.700 55.727 -1.027 1
1 1014 . 4 1 1 A 76 76 GLN CB C 76 29.900 32.794 -2.894 1
1 1017 . 4 1 1 A 76 76 GLN N N 76 122.200 120.479 1.721 1
1 1019 . 4 1 1 A 77 77 LEU H H 77 8.860 8.869 -0.009 1
1 1020 . 4 1 1 A 77 77 LEU HA H 77 3.940 4.401 -0.461 1
1 1030 . 4 1 1 A 77 77 LEU C C 77 175.300 176.495 -1.195 1
1 1031 . 4 1 1 A 77 77 LEU CA C 77 56.800 55.036 1.764 1
1 1032 . 4 1 1 A 77 77 LEU CB C 77 41.800 41.861 -0.061 1
1 1036 . 4 1 1 A 77 77 LEU N N 77 128.900 127.460 1.440 1
1 1037 . 4 1 1 A 78 78 ILE H H 78 8.880 8.680 0.200 1
1 1038 . 4 1 1 A 78 78 ILE HA H 78 4.810 4.378 0.432 1
1 1048 . 4 1 1 A 78 78 ILE C C 78 174.600 175.974 -1.374 1
1 1049 . 4 1 1 A 78 78 ILE CA C 78 58.300 62.340 -4.040 1
1 1050 . 4 1 1 A 78 78 ILE CB C 78 38.270 39.503 -1.233 1
1 1054 . 4 1 1 A 78 78 ILE N N 78 126.900 125.496 1.404 1
1 1055 . 4 1 1 A 79 79 ALA H H 79 7.940 7.422 0.518 1
1 1056 . 4 1 1 A 79 79 ALA HA H 79 5.390 4.784 0.606 1
1 1060 . 4 1 1 A 79 79 ALA C C 79 175.300 175.140 0.160 1
1 1061 . 4 1 1 A 79 79 ALA CA C 79 51.600 51.701 -0.101 1
1 1062 . 4 1 1 A 79 79 ALA CB C 79 24.000 22.439 1.561 1
1 1063 . 4 1 1 A 79 79 ALA N N 79 115.000 118.798 -3.798 1
1 1064 . 4 1 1 A 80 80 ILE H H 80 8.580 8.707 -0.127 1
1 1065 . 4 1 1 A 80 80 ILE HA H 80 4.840 5.011 -0.171 1
1 1075 . 4 1 1 A 80 80 ILE C C 80 175.000 176.034 -1.034 1
1 1076 . 4 1 1 A 80 80 ILE CA C 80 60.300 59.532 0.768 1
1 1077 . 4 1 1 A 80 80 ILE CB C 80 42.800 41.083 1.717 1
1 1081 . 4 1 1 A 80 80 ILE N N 80 117.900 120.478 -2.578 1
1 1082 . 4 1 1 A 81 81 GLY H H 81 8.200 7.364 0.836 1
1 1083 . 4 1 1 A 81 81 GLY HA2 H 81 3.750 3.809 -0.059 1
1 1084 . 4 1 1 A 81 81 GLY HA3 H 81 4.070 4.102 -0.032 1
1 1085 . 4 1 1 A 81 81 GLY C C 81 169.100 171.539 -2.439 1
1 1086 . 4 1 1 A 81 81 GLY CA C 81 46.600 45.698 0.902 1
1 1087 . 4 1 1 A 81 81 GLY N N 81 116.400 112.466 3.934 1
1 1088 . 4 1 1 A 82 82 PHE H H 82 8.210 8.181 0.029 1
1 1089 . 4 1 1 A 82 82 PHE HA H 82 5.340 5.578 -0.238 1
1 1094 . 4 1 1 A 82 82 PHE C C 82 172.400 172.278 0.122 1
1 1095 . 4 1 1 A 82 82 PHE CA C 82 56.300 55.875 0.425 1
1 1096 . 4 1 1 A 82 82 PHE CB C 82 40.100 42.444 -2.344 1
1 1099 . 4 1 1 A 82 82 PHE N N 82 114.500 112.814 1.686 1
1 1100 . 4 1 1 A 83 83 ILE H H 83 8.490 9.087 -0.597 1
1 1101 . 4 1 1 A 83 83 ILE HA H 83 4.740 4.672 0.068 1
1 1111 . 4 1 1 A 83 83 ILE C C 83 175.200 174.079 1.121 1
1 1112 . 4 1 1 A 83 83 ILE CA C 83 60.400 60.028 0.372 1
1 1113 . 4 1 1 A 83 83 ILE CB C 83 39.500 39.432 0.068 1
1 1117 . 4 1 1 A 83 83 ILE N N 83 123.400 120.713 2.687 1
1 1118 . 4 1 1 A 84 84 ASP H H 84 8.550 8.512 0.038 1
1 1119 . 4 1 1 A 84 84 ASP HA H 84 5.170 5.009 0.161 1
1 1122 . 4 1 1 A 84 84 ASP C C 84 178.600 176.330 2.270 1
1 1123 . 4 1 1 A 84 84 ASP CA C 84 52.200 53.340 -1.140 1
1 1124 . 4 1 1 A 84 84 ASP CB C 84 42.400 42.628 -0.228 1
1 1125 . 4 1 1 A 84 84 ASP N N 84 126.900 127.494 -0.594 1
1 1126 . 4 1 1 A 85 85 GLU H H 85 9.250 8.682 0.568 1
1 1127 . 4 1 1 A 85 85 GLU HA H 85 4.350 4.224 0.126 1
1 1132 . 4 1 1 A 85 85 GLU C C 85 176.800 175.911 0.889 1
1 1133 . 4 1 1 A 85 85 GLU CA C 85 58.400 59.006 -0.606 1
1 1134 . 4 1 1 A 85 85 GLU CB C 85 28.700 29.501 -0.801 1
1 1136 . 4 1 1 A 85 85 GLU N N 85 118.000 127.051 -9.051 1
1 1137 . 4 1 1 A 86 86 ASN H H 86 8.280 8.832 -0.552 1
1 1138 . 4 1 1 A 86 86 ASN HA H 86 4.760 4.937 -0.177 1
1 1143 . 4 1 1 A 86 86 ASN C C 86 174.600 174.394 0.206 1
1 1144 . 4 1 1 A 86 86 ASN CA C 86 52.800 54.116 -1.316 1
1 1145 . 4 1 1 A 86 86 ASN CB C 86 38.900 41.359 -2.459 1
1 1147 . 4 1 1 A 86 86 ASN N N 86 118.300 116.653 1.647 1
1 1149 . 4 1 1 A 87 87 HIS H H 87 8.570 7.737 0.833 1
1 1150 . 4 1 1 A 87 87 HIS HA H 87 3.940 4.719 -0.779 1
1 1154 . 4 1 1 A 87 87 HIS C C 87 173.600 173.480 0.120 1
1 1155 . 4 1 1 A 87 87 HIS CA C 87 57.000 53.855 3.145 1
1 1156 . 4 1 1 A 87 87 HIS CB C 87 26.700 31.867 -5.167 1
1 1158 . 4 1 1 A 87 87 HIS N N 87 114.000 116.512 -2.512 1
1 1159 . 4 1 1 A 88 88 ASP H H 88 8.210 8.582 -0.372 1
1 1160 . 4 1 1 A 88 88 ASP HA H 88 4.840 4.006 0.834 1
1 1163 . 4 1 1 A 88 88 ASP C C 88 174.800 175.405 -0.605 1
1 1164 . 4 1 1 A 88 88 ASP CA C 88 53.900 54.910 -1.010 1
1 1165 . 4 1 1 A 88 88 ASP CB C 88 41.500 39.353 2.147 1
1 1166 . 4 1 1 A 88 88 ASP N N 88 120.300 118.647 1.653 1
1 1167 . 4 1 1 A 89 89 MET H H 89 8.550 7.781 0.769 1
1 1168 . 4 1 1 A 89 89 MET HA H 89 4.450 4.175 0.275 1
1 1176 . 4 1 1 A 89 89 MET C C 89 173.400 174.584 -1.184 1
1 1177 . 4 1 1 A 89 89 MET CA C 89 55.800 54.685 1.115 1
1 1178 . 4 1 1 A 89 89 MET CB C 89 34.700 32.348 2.352 1
1 1181 . 4 1 1 A 89 89 MET N N 89 120.400 117.619 2.781 1
1 1182 . 4 1 1 A 90 90 ASP H H 90 8.420 7.680 0.740 1
1 1183 . 4 1 1 A 90 90 ASP HA H 90 4.580 4.973 -0.393 1
1 1186 . 4 1 1 A 90 90 ASP C C 90 174.600 173.920 0.680 1
1 1187 . 4 1 1 A 90 90 ASP CA C 90 52.300 52.426 -0.126 1
1 1188 . 4 1 1 A 90 90 ASP CB C 90 41.800 43.589 -1.789 1
1 1189 . 4 1 1 A 90 90 ASP N N 90 126.900 122.417 4.483 1
1 1190 . 4 1 1 A 91 91 PHE H H 91 8.350 8.855 -0.505 1
1 1191 . 4 1 1 A 91 91 PHE HA H 91 4.780 5.147 -0.367 1
1 1199 . 4 1 1 A 91 91 PHE C C 91 175.600 175.705 -0.105 1
1 1200 . 4 1 1 A 91 91 PHE CA C 91 58.200 56.822 1.378 1
1 1201 . 4 1 1 A 91 91 PHE CB C 91 41.400 39.162 2.238 1
1 1207 . 4 1 1 A 91 91 PHE N N 91 118.600 124.748 -6.148 1
1 1208 . 4 1 1 A 92 92 LEU H H 92 9.060 8.503 0.557 1
1 1209 . 4 1 1 A 92 92 LEU HA H 92 4.330 4.064 0.266 1
1 1219 . 4 1 1 A 92 92 LEU C C 92 175.700 176.465 -0.765 1
1 1220 . 4 1 1 A 92 92 LEU CA C 92 55.200 57.113 -1.913 1
1 1221 . 4 1 1 A 92 92 LEU CB C 92 43.500 42.314 1.186 1
1 1225 . 4 1 1 A 92 92 LEU N N 92 121.100 126.269 -5.169 1
1 1226 . 4 1 1 A 93 93 TYR H H 93 7.970 7.359 0.611 1
1 1227 . 4 1 1 A 93 93 TYR HA H 93 4.780 4.807 -0.027 1
1 1234 . 4 1 1 A 93 93 TYR C C 93 172.800 173.376 -0.576 1
1 1235 . 4 1 1 A 93 93 TYR CA C 93 57.600 57.159 0.441 1
1 1236 . 4 1 1 A 93 93 TYR CB C 93 42.500 41.903 0.597 1
1 1241 . 4 1 1 A 93 93 TYR N N 93 118.600 117.131 1.469 1
1 1242 . 4 1 1 A 94 94 LEU H H 94 8.220 8.182 0.038 1
1 1243 . 4 1 1 A 94 94 LEU HA H 94 5.060 4.797 0.263 1
1 1253 . 4 1 1 A 94 94 LEU C C 94 171.900 173.892 -1.992 1
1 1254 . 4 1 1 A 94 94 LEU CA C 94 55.100 54.214 0.886 1
1 1255 . 4 1 1 A 94 94 LEU CB C 94 44.800 44.944 -0.144 1
1 1259 . 4 1 1 A 94 94 LEU N N 94 128.600 128.922 -0.322 1
1 1260 . 4 1 1 A 95 95 HIS H H 95 9.720 8.921 0.799 1
1 1261 . 4 1 1 A 95 95 HIS HA H 95 4.570 5.293 -0.723 1
1 1266 . 4 1 1 A 95 95 HIS C C 95 173.100 173.088 0.012 1
1 1267 . 4 1 1 A 95 95 HIS CA C 95 55.500 53.823 1.677 1
1 1268 . 4 1 1 A 95 95 HIS CB C 95 35.900 33.133 2.767 1
1 1271 . 4 1 1 A 95 95 HIS N N 95 133.000 127.090 5.910 1
1 1272 . 4 1 1 A 96 96 ASN H H 96 7.670 8.552 -0.882 1
1 1273 . 4 1 1 A 96 96 ASN HA H 96 4.930 5.054 -0.124 1
1 1278 . 4 1 1 A 96 96 ASN C C 96 176.100 176.531 -0.431 1
1 1279 . 4 1 1 A 96 96 ASN CA C 96 51.000 52.485 -1.485 1
1 1280 . 4 1 1 A 96 96 ASN CB C 96 38.500 39.903 -1.403 1
1 1281 . 4 1 1 A 96 96 ASN N N 96 118.600 123.537 -4.937 1
1 1283 . 4 1 1 A 97 97 THR H H 97 10.580 8.969 1.611 1
1 1284 . 4 1 1 A 97 97 THR HA H 97 4.090 4.128 -0.038 1
1 1289 . 4 1 1 A 97 97 THR C C 97 174.600 174.809 -0.209 1
1 1290 . 4 1 1 A 97 97 THR CA C 97 67.000 64.930 2.070 1
1 1291 . 4 1 1 A 97 97 THR CB C 97 68.300 68.419 -0.119 1
1 1293 . 4 1 1 A 97 97 THR N N 97 116.300 117.317 -1.017 1
1 1294 . 4 1 1 A 98 98 VAL H H 98 8.440 7.746 0.694 1
1 1295 . 4 1 1 A 98 98 VAL HA H 98 4.180 4.258 -0.078 1
1 1303 . 4 1 1 A 98 98 VAL C C 98 174.800 175.873 -1.073 1
1 1304 . 4 1 1 A 98 98 VAL CA C 98 64.400 63.622 0.778 1
1 1305 . 4 1 1 A 98 98 VAL CB C 98 33.100 33.279 -0.179 1
1 1308 . 4 1 1 A 98 98 VAL N N 98 123.900 120.773 3.127 1
1 1309 . 4 1 1 A 99 99 MET H H 99 8.590 7.861 0.729 1
1 1310 . 4 1 1 A 99 99 MET HA H 99 4.720 4.795 -0.075 1
1 1318 . 4 1 1 A 99 99 MET CA C 99 52.400 52.207 0.193 1
1 1319 . 4 1 1 A 99 99 MET CB C 99 34.100 33.255 0.845 1
1 1322 . 4 1 1 A 99 99 MET N N 99 118.700 115.985 2.715 1
1 1323 . 4 1 1 A 100 100 PRO HA H 100 4.210 4.245 -0.035 1
1 1330 . 4 1 1 A 100 100 PRO C C 100 175.900 176.297 -0.397 1
1 1331 . 4 1 1 A 100 100 PRO CA C 100 62.100 62.941 -0.841 1
1 1332 . 4 1 1 A 100 100 PRO CB C 100 31.000 31.977 -0.977 1
1 1335 . 4 1 1 A 101 101 LEU H H 101 9.010 8.682 0.328 1
1 1336 . 4 1 1 A 101 101 LEU HA H 101 4.310 4.301 0.009 1
1 1346 . 4 1 1 A 101 101 LEU C C 101 176.900 176.682 0.218 1
1 1347 . 4 1 1 A 101 101 LEU CA C 101 55.000 55.850 -0.850 1
1 1348 . 4 1 1 A 101 101 LEU CB C 101 42.800 42.244 0.556 1
1 1352 . 4 1 1 A 101 101 LEU N N 101 124.000 119.649 4.351 1
1 1353 . 4 1 1 A 102 102 LEU H H 102 7.620 7.667 -0.047 1
1 1354 . 4 1 1 A 102 102 LEU HA H 102 4.360 4.860 -0.500 1
1 1364 . 4 1 1 A 102 102 LEU C C 102 174.800 174.570 0.230 1
1 1365 . 4 1 1 A 102 102 LEU CA C 102 54.900 53.423 1.477 1
1 1366 . 4 1 1 A 102 102 LEU CB C 102 45.300 44.385 0.915 1
1 1370 . 4 1 1 A 102 102 LEU N N 102 119.000 118.460 0.540 1
1 1371 . 4 1 1 A 103 103 ASP H H 103 9.120 8.857 0.263 1
1 1372 . 4 1 1 A 103 103 ASP HA H 103 5.100 4.803 0.297 1
1 1375 . 4 1 1 A 103 103 ASP C C 103 174.500 174.304 0.196 1
1 1376 . 4 1 1 A 103 103 ASP CA C 103 54.900 53.044 1.856 1
1 1377 . 4 1 1 A 103 103 ASP CB C 103 41.000 40.761 0.239 1
1 1378 . 4 1 1 A 103 103 ASP N N 103 120.700 121.568 -0.868 1
1 1379 . 4 1 1 A 104 104 GLN H H 104 8.990 8.627 0.363 1
1 1380 . 4 1 1 A 104 104 GLN HA H 104 4.710 4.883 -0.173 1
1 1387 . 4 1 1 A 104 104 GLN C C 104 176.100 176.112 -0.012 1
1 1388 . 4 1 1 A 104 104 GLN CA C 104 54.100 55.103 -1.003 1
1 1389 . 4 1 1 A 104 104 GLN CB C 104 28.500 30.534 -2.034 1
1 1392 . 4 1 1 A 104 104 GLN N N 104 125.400 123.463 1.937 1
1 1394 . 4 1 1 A 105 105 ARG H H 105 8.380 8.765 -0.385 1
1 1395 . 4 1 1 A 105 105 ARG HA H 105 3.510 3.876 -0.366 1
1 1402 . 4 1 1 A 105 105 ARG C C 105 177.500 177.851 -0.351 1
1 1403 . 4 1 1 A 105 105 ARG CA C 105 60.200 58.822 1.378 1
1 1404 . 4 1 1 A 105 105 ARG CB C 105 29.400 29.765 -0.365 1
1 1407 . 4 1 1 A 105 105 ARG N N 105 117.700 127.150 -9.450 1
1 1408 . 4 1 1 A 106 106 TYR H H 106 7.800 7.670 0.130 1
1 1409 . 4 1 1 A 106 106 TYR HA H 106 4.360 4.401 -0.041 1
1 1416 . 4 1 1 A 106 106 TYR C C 106 176.800 178.391 -1.591 1
1 1417 . 4 1 1 A 106 106 TYR CA C 106 58.600 60.518 -1.918 1
1 1418 . 4 1 1 A 106 106 TYR CB C 106 36.000 38.455 -2.455 1
1 1423 . 4 1 1 A 106 106 TYR N N 106 118.100 119.802 -1.702 1
1 1424 . 4 1 1 A 107 107 LEU H H 107 7.170 8.666 -1.496 1
1 1425 . 4 1 1 A 107 107 LEU HA H 107 3.970 4.095 -0.125 1
1 1435 . 4 1 1 A 107 107 LEU C C 107 178.300 179.107 -0.807 1
1 1436 . 4 1 1 A 107 107 LEU CA C 107 56.600 57.921 -1.321 1
1 1437 . 4 1 1 A 107 107 LEU CB C 107 41.800 41.412 0.388 1
1 1441 . 4 1 1 A 107 107 LEU N N 107 121.900 120.583 1.317 1
1 1442 . 4 1 1 A 108 108 LEU H H 108 7.680 7.725 -0.045 1
1 1443 . 4 1 1 A 108 108 LEU HA H 108 4.070 3.861 0.209 1
1 1453 . 4 1 1 A 108 108 LEU C C 108 177.500 178.584 -1.084 1
1 1454 . 4 1 1 A 108 108 LEU CA C 108 55.400 58.209 -2.809 1
1 1455 . 4 1 1 A 108 108 LEU CB C 108 41.500 41.652 -0.152 1
1 1459 . 4 1 1 A 108 108 LEU N N 108 115.400 120.398 -4.998 1
1 1460 . 4 1 1 A 109 109 THR H H 109 7.510 8.407 -0.897 1
1 1461 . 4 1 1 A 109 109 THR HA H 109 4.310 4.422 -0.112 1
1 1466 . 4 1 1 A 109 109 THR C C 109 175.300 175.263 0.037 1
1 1467 . 4 1 1 A 109 109 THR CA C 109 61.600 62.600 -1.000 1
1 1468 . 4 1 1 A 109 109 THR CB C 109 69.500 69.268 0.232 1
1 1470 . 4 1 1 A 109 109 THR N N 109 108.800 111.474 -2.674 1
1 1471 . 4 1 1 A 110 110 GLY H H 110 8.010 8.597 -0.587 1
1 1472 . 4 1 1 A 110 110 GLY HA2 H 110 3.950 4.210 -0.260 1
1 1473 . 4 1 1 A 110 110 GLY HA3 H 110 4.030 4.212 -0.182 1
1 1474 . 4 1 1 A 110 110 GLY C C 110 174.500 175.056 -0.556 1
1 1475 . 4 1 1 A 110 110 GLY CA C 110 45.400 45.934 -0.534 1
1 1476 . 4 1 1 A 110 110 GLY N N 110 110.100 110.766 -0.666 1
1 1477 . 4 1 1 A 111 111 GLY H H 111 8.310 8.144 0.166 1
1 1478 . 4 1 1 A 111 111 GLY HA2 H 111 3.930 3.993 -0.063 1
1 1479 . 4 1 1 A 111 111 GLY HA3 H 111 3.930 4.000 -0.070 1
1 1480 . 4 1 1 A 111 111 GLY C C 111 173.700 172.668 1.032 1
1 1481 . 4 1 1 A 111 111 GLY CA C 111 45.400 45.445 -0.045 1
1 1482 . 4 1 1 A 111 111 GLY N N 111 108.300 108.496 -0.196 1
1 1483 . 4 1 1 A 112 112 GLN H H 112 8.280 8.643 -0.363 1
1 1484 . 4 1 1 A 112 112 GLN HA H 112 4.270 4.417 -0.147 1
1 1491 . 4 1 1 A 112 112 GLN C C 112 175.700 175.928 -0.228 1
1 1492 . 4 1 1 A 112 112 GLN CA C 112 55.600 54.529 1.071 1
1 1493 . 4 1 1 A 112 112 GLN CB C 112 29.200 27.311 1.889 1
1 1496 . 4 1 1 A 112 112 GLN N N 112 119.200 122.578 -3.378 1
1 1498 . 4 1 1 A 113 113 LEU H H 113 8.260 7.780 0.480 1
1 1499 . 4 1 1 A 113 113 LEU HA H 113 4.180 4.440 -0.260 1
1 1509 . 4 1 1 A 113 113 LEU C C 113 177.000 176.800 0.200 1
1 1510 . 4 1 1 A 113 113 LEU CA C 113 55.100 54.020 1.080 1
1 1511 . 4 1 1 A 113 113 LEU CB C 113 42.100 41.630 0.470 1
1 1515 . 4 1 1 A 113 113 LEU N N 113 122.800 126.786 -3.986 1
1 1516 . 4 1 1 A 114 114 GLU H H 114 8.290 7.584 0.706 1
1 1517 . 4 1 1 A 114 114 GLU HA H 114 4.140 4.219 -0.079 1
1 1522 . 4 1 1 A 114 114 GLU CA C 114 56.300 56.837 -0.537 1
1 1523 . 4 1 1 A 114 114 GLU CB C 114 30.200 29.927 0.273 1
1 1 . 5 1 1 A 2 2 THR HA H 2 4.300 4.382 -0.082 1
1 6 . 5 1 1 A 2 2 THR C C 2 174.800 175.600 -0.800 1
1 7 . 5 1 1 A 2 2 THR CA C 2 61.100 63.009 -1.909 1
1 8 . 5 1 1 A 2 2 THR CB C 2 70.400 69.671 0.729 1
1 10 . 5 1 1 A 3 3 LEU H H 3 8.760 7.905 0.855 1
1 11 . 5 1 1 A 3 3 LEU HA H 3 4.110 3.939 0.171 1
1 21 . 5 1 1 A 3 3 LEU C C 3 178.300 179.279 -0.979 1
1 22 . 5 1 1 A 3 3 LEU CA C 3 57.800 57.839 -0.039 1
1 23 . 5 1 1 A 3 3 LEU CB C 3 41.600 41.123 0.477 1
1 27 . 5 1 1 A 3 3 LEU N N 3 123.600 122.213 1.387 1
1 28 . 5 1 1 A 4 4 GLU H H 4 8.740 8.202 0.538 1
1 29 . 5 1 1 A 4 4 GLU HA H 4 3.670 4.018 -0.348 1
1 34 . 5 1 1 A 4 4 GLU C C 4 177.900 179.353 -1.453 1
1 35 . 5 1 1 A 4 4 GLU CA C 4 60.000 59.322 0.678 1
1 36 . 5 1 1 A 4 4 GLU CB C 4 29.200 29.424 -0.224 1
1 38 . 5 1 1 A 4 4 GLU N N 4 116.500 120.343 -3.843 1
1 39 . 5 1 1 A 5 5 LEU H H 5 7.340 8.458 -1.118 1
1 40 . 5 1 1 A 5 5 LEU HA H 5 3.900 3.918 -0.018 1
1 50 . 5 1 1 A 5 5 LEU C C 5 178.900 179.139 -0.239 1
1 51 . 5 1 1 A 5 5 LEU CA C 5 56.900 58.010 -1.110 1
1 52 . 5 1 1 A 5 5 LEU CB C 5 41.200 41.259 -0.059 1
1 56 . 5 1 1 A 5 5 LEU N N 5 120.500 120.145 0.355 1
1 57 . 5 1 1 A 6 6 GLN H H 6 8.350 8.436 -0.086 1
1 58 . 5 1 1 A 6 6 GLN HA H 6 3.970 3.986 -0.016 1
1 63 . 5 1 1 A 6 6 GLN C C 6 179.700 178.030 1.670 1
1 64 . 5 1 1 A 6 6 GLN CA C 6 59.100 59.168 -0.068 1
1 65 . 5 1 1 A 6 6 GLN CB C 6 29.100 27.956 1.144 1
1 67 . 5 1 1 A 6 6 GLN N N 6 120.800 119.175 1.625 1
1 68 . 5 1 1 A 7 7 LEU H H 7 8.620 8.276 0.344 1
1 69 . 5 1 1 A 7 7 LEU HA H 7 4.010 4.147 -0.137 1
1 79 . 5 1 1 A 7 7 LEU C C 7 176.900 178.304 -1.404 1
1 80 . 5 1 1 A 7 7 LEU CA C 7 57.800 57.749 0.051 1
1 81 . 5 1 1 A 7 7 LEU CB C 7 41.700 41.586 0.114 1
1 85 . 5 1 1 A 7 7 LEU N N 7 121.000 121.409 -0.409 1
1 86 . 5 1 1 A 8 8 LYS H H 8 7.750 8.069 -0.319 1
1 87 . 5 1 1 A 8 8 LYS HA H 8 3.570 3.794 -0.224 1
1 96 . 5 1 1 A 8 8 LYS C C 8 179.400 178.580 0.820 1
1 97 . 5 1 1 A 8 8 LYS CA C 8 59.000 59.020 -0.020 1
1 98 . 5 1 1 A 8 8 LYS CB C 8 32.400 31.845 0.555 1
1 102 . 5 1 1 A 8 8 LYS N N 8 119.700 119.366 0.334 1
1 103 . 5 1 1 A 9 9 HIS H H 9 8.520 7.989 0.531 1
1 104 . 5 1 1 A 9 9 HIS HA H 9 4.050 4.490 -0.440 1
1 107 . 5 1 1 A 9 9 HIS C C 9 176.500 176.648 -0.148 1
1 108 . 5 1 1 A 9 9 HIS CA C 9 59.400 58.904 0.496 1
1 109 . 5 1 1 A 9 9 HIS CB C 9 29.900 30.496 -0.596 1
1 110 . 5 1 1 A 9 9 HIS N N 9 120.500 119.567 0.933 1
1 111 . 5 1 1 A 10 10 TYR H H 10 7.990 8.223 -0.233 1
1 112 . 5 1 1 A 10 10 TYR HA H 10 4.160 3.964 0.196 1
1 119 . 5 1 1 A 10 10 TYR C C 10 177.400 177.067 0.333 1
1 120 . 5 1 1 A 10 10 TYR CA C 10 61.800 61.430 0.370 1
1 121 . 5 1 1 A 10 10 TYR CB C 10 39.500 38.800 0.700 1
1 126 . 5 1 1 A 10 10 TYR N N 10 119.200 120.214 -1.014 1
1 127 . 5 1 1 A 11 11 ILE H H 11 8.710 8.398 0.312 1
1 128 . 5 1 1 A 11 11 ILE HA H 11 3.540 3.523 0.017 1
1 138 . 5 1 1 A 11 11 ILE CA C 11 61.600 64.435 -2.835 1
1 139 . 5 1 1 A 11 11 ILE CB C 11 36.200 37.745 -1.545 1
1 143 . 5 1 1 A 11 11 ILE N N 11 118.900 120.692 -1.792 1
1 144 . 5 1 1 A 12 12 THR HA H 12 3.840 4.032 -0.192 1
1 149 . 5 1 1 A 12 12 THR C C 12 176.900 176.613 0.287 1
1 150 . 5 1 1 A 12 12 THR CA C 12 66.400 66.052 0.348 1
1 151 . 5 1 1 A 12 12 THR CB C 12 68.300 68.095 0.205 1
1 153 . 5 1 1 A 13 13 ASN H H 13 7.440 8.335 -0.895 1
1 154 . 5 1 1 A 13 13 ASN HA H 13 4.420 4.270 0.150 1
1 159 . 5 1 1 A 13 13 ASN C C 13 176.700 177.203 -0.503 1
1 160 . 5 1 1 A 13 13 ASN CA C 13 55.900 56.424 -0.524 1
1 161 . 5 1 1 A 13 13 ASN CB C 13 38.600 38.263 0.337 1
1 163 . 5 1 1 A 13 13 ASN N N 13 118.300 120.761 -2.461 1
1 165 . 5 1 1 A 14 14 LEU H H 14 7.890 7.604 0.286 1
1 166 . 5 1 1 A 14 14 LEU HA H 14 3.660 3.717 -0.057 1
1 176 . 5 1 1 A 14 14 LEU C C 14 177.900 177.814 0.086 1
1 177 . 5 1 1 A 14 14 LEU CA C 14 57.600 57.516 0.084 1
1 178 . 5 1 1 A 14 14 LEU CB C 14 42.600 41.183 1.417 1
1 182 . 5 1 1 A 14 14 LEU N N 14 122.100 120.442 1.658 1
1 183 . 5 1 1 A 15 15 PHE H H 15 7.670 7.625 0.045 1
1 184 . 5 1 1 A 15 15 PHE HA H 15 4.490 4.507 -0.017 1
1 191 . 5 1 1 A 15 15 PHE C C 15 173.800 174.745 -0.945 1
1 192 . 5 1 1 A 15 15 PHE CA C 15 57.900 57.069 0.831 1
1 193 . 5 1 1 A 15 15 PHE CB C 15 38.900 39.652 -0.752 1
1 198 . 5 1 1 A 15 15 PHE N N 15 111.800 114.069 -2.269 1
1 199 . 5 1 1 A 16 16 ASN H H 16 7.450 8.109 -0.659 1
1 200 . 5 1 1 A 16 16 ASN HA H 16 4.420 4.268 0.152 1
1 205 . 5 1 1 A 16 16 ASN C C 16 174.200 173.980 0.220 1
1 206 . 5 1 1 A 16 16 ASN CA C 16 54.100 54.072 0.028 1
1 207 . 5 1 1 A 16 16 ASN CB C 16 36.500 37.210 -0.710 1
1 209 . 5 1 1 A 16 16 ASN N N 16 118.500 118.151 0.349 1
1 211 . 5 1 1 A 17 17 LEU H H 17 8.410 8.119 0.291 1
1 212 . 5 1 1 A 17 17 LEU HA H 17 4.630 4.518 0.112 1
1 222 . 5 1 1 A 17 17 LEU CA C 17 52.300 52.585 -0.285 1
1 223 . 5 1 1 A 17 17 LEU CB C 17 41.000 41.380 -0.380 1
1 227 . 5 1 1 A 17 17 LEU N N 17 118.700 119.910 -1.210 1
1 228 . 5 1 1 A 18 18 PRO HA H 18 4.380 4.701 -0.321 1
1 235 . 5 1 1 A 18 18 PRO C C 18 178.600 177.115 1.485 1
1 236 . 5 1 1 A 18 18 PRO CA C 18 63.100 62.845 0.255 1
1 237 . 5 1 1 A 18 18 PRO CB C 18 31.800 32.317 -0.517 1
1 240 . 5 1 1 A 19 19 ARG H H 19 8.650 8.680 -0.030 1
1 241 . 5 1 1 A 19 19 ARG HA H 19 3.820 4.336 -0.516 1
1 248 . 5 1 1 A 19 19 ARG C C 19 176.500 176.657 -0.157 1
1 249 . 5 1 1 A 19 19 ARG CA C 19 58.100 56.739 1.361 1
1 250 . 5 1 1 A 19 19 ARG CB C 19 30.300 30.204 0.096 1
1 253 . 5 1 1 A 19 19 ARG N N 19 124.600 122.250 2.350 1
1 254 . 5 1 1 A 20 20 ASP H H 20 8.390 8.181 0.209 1
1 255 . 5 1 1 A 20 20 ASP HA H 20 4.550 4.534 0.016 1
1 258 . 5 1 1 A 20 20 ASP C C 20 175.700 175.637 0.063 1
1 259 . 5 1 1 A 20 20 ASP CA C 20 53.000 54.098 -1.098 1
1 260 . 5 1 1 A 20 20 ASP CB C 20 40.400 39.699 0.701 1
1 261 . 5 1 1 A 20 20 ASP N N 20 114.300 117.575 -3.275 1
1 262 . 5 1 1 A 21 21 GLU H H 21 6.780 7.755 -0.975 1
1 263 . 5 1 1 A 21 21 GLU HA H 21 4.150 4.768 -0.618 1
1 268 . 5 1 1 A 21 21 GLU C C 21 175.400 176.075 -0.675 1
1 269 . 5 1 1 A 21 21 GLU CA C 21 56.200 55.530 0.670 1
1 270 . 5 1 1 A 21 21 GLU CB C 21 31.600 31.713 -0.113 1
1 272 . 5 1 1 A 21 21 GLU N N 21 121.600 121.476 0.124 1
1 273 . 5 1 1 A 22 22 LYS H H 22 8.860 8.704 0.156 1
1 274 . 5 1 1 A 22 22 LYS HA H 22 4.160 4.578 -0.418 1
1 283 . 5 1 1 A 22 22 LYS C C 22 176.100 176.588 -0.488 1
1 284 . 5 1 1 A 22 22 LYS CA C 22 57.200 56.776 0.424 1
1 285 . 5 1 1 A 22 22 LYS CB C 22 33.000 33.362 -0.362 1
1 289 . 5 1 1 A 22 22 LYS N N 22 128.900 128.485 0.415 1
1 290 . 5 1 1 A 23 23 TRP H H 23 8.750 9.086 -0.336 1
1 291 . 5 1 1 A 23 23 TRP HA H 23 5.400 5.270 0.130 1
1 300 . 5 1 1 A 23 23 TRP C C 23 176.500 175.426 1.074 1
1 301 . 5 1 1 A 23 23 TRP CA C 23 54.600 56.703 -2.103 1
1 302 . 5 1 1 A 23 23 TRP CB C 23 31.100 31.667 -0.567 1
1 308 . 5 1 1 A 23 23 TRP N N 23 126.100 128.197 -2.097 1
1 310 . 5 1 1 A 24 24 GLU H H 24 9.040 8.787 0.253 1
1 311 . 5 1 1 A 24 24 GLU HA H 24 4.590 5.074 -0.484 1
1 316 . 5 1 1 A 24 24 GLU C C 24 174.100 175.003 -0.903 1
1 317 . 5 1 1 A 24 24 GLU CA C 24 54.200 55.098 -0.898 1
1 318 . 5 1 1 A 24 24 GLU CB C 24 31.600 32.244 -0.644 1
1 320 . 5 1 1 A 24 24 GLU N N 24 122.700 122.515 0.185 1
1 321 . 5 1 1 A 25 25 CYS H H 25 8.740 9.118 -0.378 1
1 322 . 5 1 1 A 25 25 CYS HA H 25 4.870 4.940 -0.070 1
1 325 . 5 1 1 A 25 25 CYS C C 25 174.400 174.192 0.208 1
1 326 . 5 1 1 A 25 25 CYS CA C 25 57.200 57.540 -0.340 1
1 327 . 5 1 1 A 25 25 CYS CB C 25 30.200 29.511 0.689 1
1 328 . 5 1 1 A 25 25 CYS N N 25 119.900 126.448 -6.548 1
1 329 . 5 1 1 A 26 26 GLU H H 26 9.220 8.288 0.932 1
1 330 . 5 1 1 A 26 26 GLU HA H 26 4.740 4.823 -0.083 1
1 335 . 5 1 1 A 26 26 GLU C C 26 175.000 175.091 -0.091 1
1 336 . 5 1 1 A 26 26 GLU CA C 26 55.100 55.533 -0.433 1
1 337 . 5 1 1 A 26 26 GLU CB C 26 31.700 32.357 -0.657 1
1 339 . 5 1 1 A 26 26 GLU N N 26 131.200 125.265 5.935 1
1 340 . 5 1 1 A 27 27 SER H H 27 8.900 8.842 0.058 1
1 341 . 5 1 1 A 27 27 SER HA H 27 5.750 5.161 0.589 1
1 344 . 5 1 1 A 27 27 SER C C 27 173.600 173.573 0.027 1
1 345 . 5 1 1 A 27 27 SER CA C 27 56.700 57.257 -0.557 1
1 346 . 5 1 1 A 27 27 SER CB C 27 64.200 64.556 -0.356 1
1 347 . 5 1 1 A 27 27 SER N N 27 125.100 120.578 4.522 1
1 348 . 5 1 1 A 28 28 ILE H H 28 8.540 8.595 -0.055 1
1 349 . 5 1 1 A 28 28 ILE HA H 28 4.680 4.817 -0.137 1
1 359 . 5 1 1 A 28 28 ILE C C 28 174.100 174.084 0.016 1
1 360 . 5 1 1 A 28 28 ILE CA C 28 59.800 59.317 0.483 1
1 361 . 5 1 1 A 28 28 ILE CB C 28 42.700 42.176 0.524 1
1 365 . 5 1 1 A 28 28 ILE N N 28 123.200 122.831 0.369 1
1 366 . 5 1 1 A 29 29 GLU H H 29 8.430 8.553 -0.123 1
1 367 . 5 1 1 A 29 29 GLU HA H 29 5.430 4.787 0.643 1
1 372 . 5 1 1 A 29 29 GLU C C 29 176.000 175.899 0.101 1
1 373 . 5 1 1 A 29 29 GLU CA C 29 55.600 56.417 -0.817 1
1 374 . 5 1 1 A 29 29 GLU CB C 29 31.200 30.301 0.899 1
1 376 . 5 1 1 A 29 29 GLU N N 29 123.900 127.818 -3.918 1
1 377 . 5 1 1 A 30 30 GLU H H 30 8.850 8.393 0.457 1
1 378 . 5 1 1 A 30 30 GLU HA H 30 4.730 4.735 -0.005 1
1 383 . 5 1 1 A 30 30 GLU C C 30 174.300 174.952 -0.652 1
1 384 . 5 1 1 A 30 30 GLU CA C 30 54.700 54.966 -0.266 1
1 385 . 5 1 1 A 30 30 GLU CB C 30 34.400 33.809 0.591 1
1 387 . 5 1 1 A 30 30 GLU N N 30 121.900 124.021 -2.121 1
1 388 . 5 1 1 A 31 31 VAL H H 31 9.260 8.864 0.396 1
1 389 . 5 1 1 A 31 31 VAL HA H 31 4.250 4.035 0.215 1
1 397 . 5 1 1 A 31 31 VAL C C 31 177.700 176.832 0.868 1
1 398 . 5 1 1 A 31 31 VAL CA C 31 62.500 63.526 -1.026 1
1 399 . 5 1 1 A 31 31 VAL CB C 31 31.800 31.773 0.027 1
1 402 . 5 1 1 A 31 31 VAL N N 31 124.500 125.817 -1.317 1
1 403 . 5 1 1 A 32 32 ALA H H 32 9.250 8.662 0.588 1
1 404 . 5 1 1 A 32 32 ALA HA H 32 3.710 4.000 -0.290 1
1 408 . 5 1 1 A 32 32 ALA C C 32 178.600 179.445 -0.845 1
1 409 . 5 1 1 A 32 32 ALA CA C 32 55.800 55.367 0.433 1
1 410 . 5 1 1 A 32 32 ALA CB C 32 19.400 18.283 1.117 1
1 411 . 5 1 1 A 32 32 ALA N N 32 129.900 128.387 1.513 1
1 412 . 5 1 1 A 33 33 ASP H H 33 9.510 8.274 1.236 1
1 413 . 5 1 1 A 33 33 ASP HA H 33 4.180 4.564 -0.384 1
1 416 . 5 1 1 A 33 33 ASP C C 33 176.300 178.246 -1.946 1
1 417 . 5 1 1 A 33 33 ASP CA C 33 54.600 56.536 -1.936 1
1 418 . 5 1 1 A 33 33 ASP CB C 33 39.200 40.534 -1.334 1
1 419 . 5 1 1 A 33 33 ASP N N 33 110.700 119.189 -8.489 1
1 420 . 5 1 1 A 34 34 ASP H H 34 7.830 8.034 -0.204 1
1 421 . 5 1 1 A 34 34 ASP HA H 34 4.650 4.368 0.282 1
1 424 . 5 1 1 A 34 34 ASP C C 34 176.300 178.688 -2.388 1
1 425 . 5 1 1 A 34 34 ASP CA C 34 55.100 56.966 -1.866 1
1 426 . 5 1 1 A 34 34 ASP CB C 34 41.000 41.337 -0.337 1
1 427 . 5 1 1 A 34 34 ASP N N 34 114.700 119.372 -4.672 1
1 428 . 5 1 1 A 35 35 ILE H H 35 7.290 7.644 -0.354 1
1 429 . 5 1 1 A 35 35 ILE HA H 35 4.490 4.190 0.300 1
1 439 . 5 1 1 A 35 35 ILE C C 35 174.100 174.756 -0.656 1
1 440 . 5 1 1 A 35 35 ILE CA C 35 60.700 61.447 -0.747 1
1 441 . 5 1 1 A 35 35 ILE CB C 35 40.600 37.722 2.878 1
1 445 . 5 1 1 A 35 35 ILE N N 35 113.400 114.826 -1.426 1
1 446 . 5 1 1 A 36 36 LEU H H 36 7.730 7.553 0.177 1
1 447 . 5 1 1 A 36 36 LEU HA H 36 4.800 4.911 -0.111 1
1 457 . 5 1 1 A 36 36 LEU CA C 36 52.200 51.374 0.826 1
1 458 . 5 1 1 A 36 36 LEU CB C 36 42.700 43.533 -0.833 1
1 462 . 5 1 1 A 36 36 LEU N N 36 120.400 124.609 -4.209 1
1 463 . 5 1 1 A 37 37 PRO HA H 37 4.440 4.555 -0.115 1
1 470 . 5 1 1 A 37 37 PRO C C 37 177.100 177.464 -0.364 1
1 471 . 5 1 1 A 37 37 PRO CA C 37 63.100 63.164 -0.064 1
1 472 . 5 1 1 A 37 37 PRO CB C 37 32.700 32.763 -0.063 1
1 475 . 5 1 1 A 38 38 ASP H H 38 8.690 8.664 0.026 1
1 476 . 5 1 1 A 38 38 ASP HA H 38 4.230 4.301 -0.071 1
1 479 . 5 1 1 A 38 38 ASP C C 38 177.800 178.093 -0.293 1
1 480 . 5 1 1 A 38 38 ASP CA C 38 57.900 56.810 1.090 1
1 481 . 5 1 1 A 38 38 ASP CB C 38 42.200 40.295 1.905 1
1 482 . 5 1 1 A 38 38 ASP N N 38 123.800 122.334 1.466 1
1 483 . 5 1 1 A 39 39 GLN H H 39 9.080 7.980 1.100 1
1 484 . 5 1 1 A 39 39 GLN HA H 39 3.990 4.011 -0.021 1
1 491 . 5 1 1 A 39 39 GLN C C 39 176.400 175.892 0.508 1
1 492 . 5 1 1 A 39 39 GLN CA C 39 58.000 57.890 0.110 1
1 493 . 5 1 1 A 39 39 GLN CB C 39 27.300 28.611 -1.311 1
1 496 . 5 1 1 A 39 39 GLN N N 39 115.100 117.896 -2.796 1
1 498 . 5 1 1 A 40 40 TYR H H 40 7.510 7.743 -0.233 1
1 499 . 5 1 1 A 40 40 TYR HA H 40 4.730 4.752 -0.022 1
1 506 . 5 1 1 A 40 40 TYR C C 40 174.200 176.186 -1.986 1
1 507 . 5 1 1 A 40 40 TYR CA C 40 57.000 57.857 -0.857 1
1 508 . 5 1 1 A 40 40 TYR CB C 40 39.400 39.620 -0.220 1
1 513 . 5 1 1 A 40 40 TYR N N 40 116.800 117.058 -0.258 1
1 514 . 5 1 1 A 41 41 VAL H H 41 7.370 7.654 -0.284 1
1 515 . 5 1 1 A 41 41 VAL HA H 41 4.000 4.299 -0.299 1
1 523 . 5 1 1 A 41 41 VAL C C 41 175.400 176.800 -1.400 1
1 524 . 5 1 1 A 41 41 VAL CA C 41 62.800 62.234 0.566 1
1 525 . 5 1 1 A 41 41 VAL CB C 41 34.300 32.461 1.839 1
1 528 . 5 1 1 A 41 41 VAL N N 41 116.100 118.195 -2.095 1
1 529 . 5 1 1 A 42 42 ARG H H 42 7.990 8.002 -0.012 1
1 530 . 5 1 1 A 42 42 ARG HA H 42 3.970 4.059 -0.089 1
1 537 . 5 1 1 A 42 42 ARG C C 42 176.600 177.890 -1.290 1
1 538 . 5 1 1 A 42 42 ARG CA C 42 58.500 58.648 -0.148 1
1 539 . 5 1 1 A 42 42 ARG CB C 42 29.700 30.082 -0.382 1
1 542 . 5 1 1 A 42 42 ARG N N 42 120.900 121.989 -1.089 1
1 543 . 5 1 1 A 43 43 LEU H H 43 8.930 7.693 1.237 1
1 544 . 5 1 1 A 43 43 LEU HA H 43 4.060 4.263 -0.203 1
1 554 . 5 1 1 A 43 43 LEU C C 43 176.200 177.946 -1.746 1
1 555 . 5 1 1 A 43 43 LEU CA C 43 56.100 57.132 -1.032 1
1 556 . 5 1 1 A 43 43 LEU CB C 43 40.100 42.134 -2.034 1
1 560 . 5 1 1 A 43 43 LEU N N 43 119.500 118.847 0.653 1
1 561 . 5 1 1 A 44 44 GLY H H 44 7.890 8.413 -0.523 1
1 562 . 5 1 1 A 44 44 GLY HA2 H 44 3.930 3.846 0.084 1
1 563 . 5 1 1 A 44 44 GLY HA3 H 44 4.540 3.847 0.693 1
1 564 . 5 1 1 A 44 44 GLY CA C 44 44.900 46.152 -1.252 1
1 565 . 5 1 1 A 44 44 GLY N N 44 107.000 105.862 1.138 1
1 566 . 5 1 1 A 45 45 PRO HA H 45 4.360 4.380 -0.020 1
1 573 . 5 1 1 A 45 45 PRO C C 45 176.900 177.892 -0.992 1
1 574 . 5 1 1 A 45 45 PRO CA C 45 64.400 64.424 -0.024 1
1 575 . 5 1 1 A 45 45 PRO CB C 45 31.900 31.784 0.116 1
1 578 . 5 1 1 A 46 46 LEU H H 46 8.660 7.726 0.934 1
1 579 . 5 1 1 A 46 46 LEU HA H 46 3.970 4.088 -0.118 1
1 589 . 5 1 1 A 46 46 LEU C C 46 176.300 178.843 -2.543 1
1 590 . 5 1 1 A 46 46 LEU CA C 46 55.900 56.576 -0.676 1
1 591 . 5 1 1 A 46 46 LEU CB C 46 43.500 41.169 2.331 1
1 595 . 5 1 1 A 46 46 LEU N N 46 117.000 118.401 -1.401 1
1 596 . 5 1 1 A 47 47 SER H H 47 7.160 8.152 -0.992 1
1 597 . 5 1 1 A 47 47 SER HA H 47 4.080 4.385 -0.305 1
1 600 . 5 1 1 A 47 47 SER C C 47 176.600 175.991 0.609 1
1 601 . 5 1 1 A 47 47 SER CA C 47 59.100 61.371 -2.271 1
1 602 . 5 1 1 A 47 47 SER CB C 47 62.800 62.257 0.543 1
1 603 . 5 1 1 A 47 47 SER N N 47 110.300 115.664 -5.364 1
1 604 . 5 1 1 A 48 48 ASN H H 48 11.000 7.710 3.290 1
1 605 . 5 1 1 A 48 48 ASN HA H 48 4.090 4.794 -0.704 1
1 610 . 5 1 1 A 48 48 ASN C C 48 174.700 174.843 -0.143 1
1 611 . 5 1 1 A 48 48 ASN CA C 48 55.200 53.233 1.967 1
1 612 . 5 1 1 A 48 48 ASN CB C 48 38.300 38.999 -0.699 1
1 614 . 5 1 1 A 48 48 ASN N N 48 123.200 116.628 6.572 1
1 616 . 5 1 1 A 49 49 LYS H H 49 7.830 7.608 0.222 1
1 617 . 5 1 1 A 49 49 LYS HA H 49 4.360 4.718 -0.358 1
1 626 . 5 1 1 A 49 49 LYS C C 49 175.100 175.421 -0.321 1
1 627 . 5 1 1 A 49 49 LYS CA C 49 56.100 55.353 0.747 1
1 628 . 5 1 1 A 49 49 LYS CB C 49 33.200 33.981 -0.781 1
1 632 . 5 1 1 A 49 49 LYS N N 49 119.400 121.216 -1.816 1
1 633 . 5 1 1 A 50 50 ILE H H 50 8.570 8.778 -0.208 1
1 634 . 5 1 1 A 50 50 ILE HA H 50 4.160 4.526 -0.366 1
1 644 . 5 1 1 A 50 50 ILE C C 50 175.000 175.301 -0.301 1
1 645 . 5 1 1 A 50 50 ILE CA C 50 61.200 60.104 1.096 1
1 646 . 5 1 1 A 50 50 ILE CB C 50 36.900 37.948 -1.048 1
1 650 . 5 1 1 A 50 50 ILE N N 50 123.000 126.161 -3.161 1
1 651 . 5 1 1 A 51 51 LEU H H 51 9.270 8.591 0.679 1
1 652 . 5 1 1 A 51 51 LEU HA H 51 5.170 5.033 0.137 1
1 662 . 5 1 1 A 51 51 LEU C C 51 176.300 176.223 0.077 1
1 663 . 5 1 1 A 51 51 LEU CA C 51 52.500 53.419 -0.919 1
1 664 . 5 1 1 A 51 51 LEU CB C 51 42.600 44.015 -1.415 1
1 668 . 5 1 1 A 51 51 LEU N N 51 127.000 128.894 -1.894 1
1 669 . 5 1 1 A 52 52 GLN H H 52 9.110 8.461 0.649 1
1 670 . 5 1 1 A 52 52 GLN HA H 52 4.590 4.559 0.031 1
1 677 . 5 1 1 A 52 52 GLN C C 52 175.000 175.217 -0.217 1
1 678 . 5 1 1 A 52 52 GLN CA C 52 56.800 56.157 0.643 1
1 679 . 5 1 1 A 52 52 GLN CB C 52 29.200 29.140 0.060 1
1 682 . 5 1 1 A 52 52 GLN N N 52 122.700 122.736 -0.036 1
1 684 . 5 1 1 A 53 53 THR H H 53 9.110 9.336 -0.226 1
1 685 . 5 1 1 A 53 53 THR HA H 53 4.730 4.872 -0.142 1
1 690 . 5 1 1 A 53 53 THR C C 53 172.500 172.802 -0.302 1
1 691 . 5 1 1 A 53 53 THR CA C 53 60.500 62.323 -1.823 1
1 692 . 5 1 1 A 53 53 THR CB C 53 69.800 69.552 0.248 1
1 694 . 5 1 1 A 53 53 THR N N 53 121.500 123.251 -1.751 1
1 695 . 5 1 1 A 54 54 ASN H H 54 8.210 9.139 -0.929 1
1 696 . 5 1 1 A 54 54 ASN HA H 54 5.400 5.132 0.268 1
1 701 . 5 1 1 A 54 54 ASN C C 54 172.900 173.754 -0.854 1
1 702 . 5 1 1 A 54 54 ASN CA C 54 52.400 51.713 0.687 1
1 703 . 5 1 1 A 54 54 ASN CB C 54 40.900 39.709 1.191 1
1 705 . 5 1 1 A 54 54 ASN N N 54 125.400 126.641 -1.241 1
1 707 . 5 1 1 A 55 55 THR H H 55 8.510 8.674 -0.164 1
1 708 . 5 1 1 A 55 55 THR HA H 55 5.120 4.825 0.295 1
1 713 . 5 1 1 A 55 55 THR C C 55 172.800 173.507 -0.707 1
1 714 . 5 1 1 A 55 55 THR CA C 55 61.400 62.196 -0.796 1
1 715 . 5 1 1 A 55 55 THR CB C 55 69.700 69.942 -0.242 1
1 717 . 5 1 1 A 55 55 THR N N 55 119.300 120.404 -1.104 1
1 718 . 5 1 1 A 56 56 TYR H H 56 8.460 8.828 -0.368 1
1 719 . 5 1 1 A 56 56 TYR HA H 56 5.260 5.599 -0.339 1
1 726 . 5 1 1 A 56 56 TYR C C 56 173.400 174.083 -0.683 1
1 727 . 5 1 1 A 56 56 TYR CA C 56 57.500 55.929 1.571 1
1 728 . 5 1 1 A 56 56 TYR CB C 56 41.400 40.485 0.915 1
1 733 . 5 1 1 A 56 56 TYR N N 56 125.400 126.270 -0.870 1
1 734 . 5 1 1 A 57 57 TYR H H 57 8.450 9.182 -0.732 1
1 735 . 5 1 1 A 57 57 TYR HA H 57 4.530 5.255 -0.725 1
1 742 . 5 1 1 A 57 57 TYR C C 57 172.400 174.946 -2.546 1
1 743 . 5 1 1 A 57 57 TYR CA C 57 56.600 56.317 0.283 1
1 744 . 5 1 1 A 57 57 TYR CB C 57 41.700 40.590 1.110 1
1 749 . 5 1 1 A 57 57 TYR N N 57 113.900 122.872 -8.972 1
1 750 . 5 1 1 A 58 58 SER H H 58 7.100 8.723 -1.623 1
1 751 . 5 1 1 A 58 58 SER HA H 58 4.750 4.895 -0.145 1
1 754 . 5 1 1 A 58 58 SER C C 58 173.800 174.117 -0.317 1
1 755 . 5 1 1 A 58 58 SER CA C 58 56.600 57.565 -0.965 1
1 756 . 5 1 1 A 58 58 SER CB C 58 65.600 66.886 -1.286 1
1 757 . 5 1 1 A 58 58 SER N N 58 114.200 119.638 -5.438 1
1 758 . 5 1 1 A 59 59 ASP H H 59 9.140 8.884 0.256 1
1 759 . 5 1 1 A 59 59 ASP HA H 59 4.550 4.250 0.300 1
1 762 . 5 1 1 A 59 59 ASP C C 59 179.000 177.866 1.134 1
1 763 . 5 1 1 A 59 59 ASP CA C 59 58.500 57.889 0.611 1
1 764 . 5 1 1 A 59 59 ASP CB C 59 40.400 40.756 -0.356 1
1 765 . 5 1 1 A 59 59 ASP N N 59 121.800 124.968 -3.168 1
1 766 . 5 1 1 A 60 60 THR H H 60 9.060 8.076 0.984 1
1 767 . 5 1 1 A 60 60 THR HA H 60 4.000 3.980 0.020 1
1 772 . 5 1 1 A 60 60 THR C C 60 178.000 177.327 0.673 1
1 773 . 5 1 1 A 60 60 THR CA C 60 67.300 65.750 1.550 1
1 774 . 5 1 1 A 60 60 THR CB C 60 67.300 68.346 -1.046 1
1 776 . 5 1 1 A 60 60 THR N N 60 114.800 114.230 0.570 1
1 777 . 5 1 1 A 61 61 LEU H H 61 7.950 7.978 -0.028 1
1 778 . 5 1 1 A 61 61 LEU HA H 61 3.610 3.656 -0.046 1
1 788 . 5 1 1 A 61 61 LEU C C 61 178.900 178.896 0.004 1
1 789 . 5 1 1 A 61 61 LEU CA C 61 58.600 57.612 0.988 1
1 790 . 5 1 1 A 61 61 LEU CB C 61 39.500 41.538 -2.038 1
1 794 . 5 1 1 A 61 61 LEU N N 61 126.100 122.818 3.282 1
1 795 . 5 1 1 A 62 62 HIS H H 62 8.260 8.519 -0.259 1
1 796 . 5 1 1 A 62 62 HIS HA H 62 4.470 3.816 0.654 1
1 800 . 5 1 1 A 62 62 HIS C C 62 178.900 176.718 2.182 1
1 801 . 5 1 1 A 62 62 HIS CA C 62 58.600 60.142 -1.542 1
1 802 . 5 1 1 A 62 62 HIS CB C 62 29.500 30.065 -0.565 1
1 804 . 5 1 1 A 62 62 HIS N N 62 116.000 117.636 -1.636 1
1 805 . 5 1 1 A 63 63 LYS H H 63 7.790 8.117 -0.327 1
1 806 . 5 1 1 A 63 63 LYS HA H 63 3.960 3.877 0.083 1
1 815 . 5 1 1 A 63 63 LYS C C 63 177.900 178.593 -0.693 1
1 816 . 5 1 1 A 63 63 LYS CA C 63 59.200 59.425 -0.225 1
1 817 . 5 1 1 A 63 63 LYS CB C 63 32.400 32.241 0.159 1
1 821 . 5 1 1 A 63 63 LYS N N 63 119.100 119.977 -0.877 1
1 822 . 5 1 1 A 64 64 SER H H 64 7.580 7.805 -0.225 1
1 823 . 5 1 1 A 64 64 SER HA H 64 4.260 4.405 -0.145 1
1 826 . 5 1 1 A 64 64 SER C C 64 172.100 173.496 -1.396 1
1 827 . 5 1 1 A 64 64 SER CA C 64 59.300 58.236 1.064 1
1 828 . 5 1 1 A 64 64 SER CB C 64 63.600 63.188 0.412 1
1 829 . 5 1 1 A 64 64 SER N N 64 112.470 113.143 -0.673 1
1 830 . 5 1 1 A 65 65 ASN H H 65 7.760 7.847 -0.087 1
1 831 . 5 1 1 A 65 65 ASN HA H 65 3.870 4.000 -0.130 1
1 836 . 5 1 1 A 65 65 ASN C C 65 171.100 173.354 -2.254 1
1 837 . 5 1 1 A 65 65 ASN CA C 65 54.300 54.012 0.288 1
1 838 . 5 1 1 A 65 65 ASN CB C 65 37.500 37.122 0.378 1
1 840 . 5 1 1 A 65 65 ASN N N 65 117.600 118.138 -0.538 1
1 842 . 5 1 1 A 66 66 ILE H H 66 6.820 7.503 -0.683 1
1 843 . 5 1 1 A 66 66 ILE HA H 66 4.590 4.603 -0.013 1
1 853 . 5 1 1 A 66 66 ILE C C 66 174.000 173.803 0.197 1
1 854 . 5 1 1 A 66 66 ILE CA C 66 58.200 59.922 -1.722 1
1 855 . 5 1 1 A 66 66 ILE CB C 66 40.200 40.573 -0.373 1
1 859 . 5 1 1 A 66 66 ILE N N 66 113.900 118.895 -4.995 1
1 860 . 5 1 1 A 67 67 TYR H H 67 8.530 7.318 1.212 1
1 861 . 5 1 1 A 67 67 TYR HA H 67 5.050 5.394 -0.344 1
1 868 . 5 1 1 A 67 67 TYR CA C 67 54.000 54.589 -0.589 1
1 869 . 5 1 1 A 67 67 TYR CB C 67 39.400 38.952 0.448 1
1 874 . 5 1 1 A 67 67 TYR N N 67 120.200 124.501 -4.301 1
1 875 . 5 1 1 A 68 68 PRO HA H 68 5.120 4.792 0.328 1
1 882 . 5 1 1 A 68 68 PRO C C 68 174.600 176.707 -2.107 1
1 883 . 5 1 1 A 68 68 PRO CA C 68 61.500 62.821 -1.321 1
1 884 . 5 1 1 A 68 68 PRO CB C 68 32.200 32.853 -0.653 1
1 887 . 5 1 1 A 69 69 PHE H H 69 8.870 8.561 0.309 1
1 888 . 5 1 1 A 69 69 PHE HA H 69 6.330 5.657 0.673 1
1 896 . 5 1 1 A 69 69 PHE C C 69 173.000 172.953 0.047 1
1 897 . 5 1 1 A 69 69 PHE CA C 69 56.300 56.050 0.250 1
1 898 . 5 1 1 A 69 69 PHE CB C 69 42.900 42.521 0.379 1
1 903 . 5 1 1 A 69 69 PHE N N 69 118.400 118.102 0.298 1
1 904 . 5 1 1 A 70 70 ILE H H 70 9.060 8.748 0.312 1
1 905 . 5 1 1 A 70 70 ILE HA H 70 4.840 4.791 0.049 1
1 915 . 5 1 1 A 70 70 ILE C C 70 175.700 174.750 0.950 1
1 916 . 5 1 1 A 70 70 ILE CA C 70 61.900 59.702 2.198 1
1 917 . 5 1 1 A 70 70 ILE CB C 70 43.000 42.353 0.647 1
1 921 . 5 1 1 A 70 70 ILE N N 70 117.700 121.822 -4.122 1
1 922 . 5 1 1 A 71 71 LEU H H 71 9.320 8.563 0.757 1
1 923 . 5 1 1 A 71 71 LEU HA H 71 5.720 5.224 0.496 1
1 933 . 5 1 1 A 71 71 LEU C C 71 175.600 175.454 0.146 1
1 934 . 5 1 1 A 71 71 LEU CA C 71 52.400 53.221 -0.821 1
1 935 . 5 1 1 A 71 71 LEU CB C 71 43.700 43.365 0.335 1
1 939 . 5 1 1 A 71 71 LEU N N 71 124.800 125.964 -1.164 1
1 940 . 5 1 1 A 72 72 TYR H H 72 9.250 8.948 0.302 1
1 941 . 5 1 1 A 72 72 TYR HA H 72 5.350 5.236 0.114 1
1 948 . 5 1 1 A 72 72 TYR C C 72 174.100 174.823 -0.723 1
1 949 . 5 1 1 A 72 72 TYR CA C 72 57.300 56.831 0.469 1
1 950 . 5 1 1 A 72 72 TYR CB C 72 44.500 42.287 2.213 1
1 955 . 5 1 1 A 72 72 TYR N N 72 120.700 122.739 -2.039 1
1 956 . 5 1 1 A 73 73 TYR H H 73 9.250 9.166 0.084 1
1 957 . 5 1 1 A 73 73 TYR HA H 73 5.110 4.922 0.188 1
1 964 . 5 1 1 A 73 73 TYR C C 73 174.500 174.881 -0.381 1
1 965 . 5 1 1 A 73 73 TYR CA C 73 56.500 57.825 -1.325 1
1 966 . 5 1 1 A 73 73 TYR CB C 73 40.400 41.126 -0.726 1
1 971 . 5 1 1 A 73 73 TYR N N 73 120.300 123.591 -3.291 1
1 972 . 5 1 1 A 74 74 GLN H H 74 9.310 9.102 0.208 1
1 973 . 5 1 1 A 74 74 GLN HA H 74 3.530 3.798 -0.268 1
1 980 . 5 1 1 A 74 74 GLN C C 74 175.400 174.773 0.627 1
1 981 . 5 1 1 A 74 74 GLN CA C 74 57.200 56.549 0.651 1
1 982 . 5 1 1 A 74 74 GLN CB C 74 25.500 27.173 -1.673 1
1 985 . 5 1 1 A 74 74 GLN N N 74 126.000 126.780 -0.780 1
1 987 . 5 1 1 A 75 75 LYS H H 75 8.530 8.461 0.069 1
1 988 . 5 1 1 A 75 75 LYS HA H 75 3.820 3.764 0.056 1
1 997 . 5 1 1 A 75 75 LYS C C 75 175.500 174.664 0.836 1
1 998 . 5 1 1 A 75 75 LYS CA C 75 57.300 57.395 -0.095 1
1 999 . 5 1 1 A 75 75 LYS CB C 75 30.900 29.555 1.345 1
1 1003 . 5 1 1 A 75 75 LYS N N 75 113.600 111.794 1.806 1
1 1004 . 5 1 1 A 76 76 GLN H H 76 8.550 7.851 0.699 1
1 1005 . 5 1 1 A 76 76 GLN HA H 76 4.470 4.904 -0.434 1
1 1012 . 5 1 1 A 76 76 GLN C C 76 175.400 174.599 0.801 1
1 1013 . 5 1 1 A 76 76 GLN CA C 76 54.700 54.629 0.071 1
1 1014 . 5 1 1 A 76 76 GLN CB C 76 29.900 31.738 -1.838 1
1 1017 . 5 1 1 A 76 76 GLN N N 76 122.200 118.007 4.193 1
1 1019 . 5 1 1 A 77 77 LEU H H 77 8.860 8.837 0.023 1
1 1020 . 5 1 1 A 77 77 LEU HA H 77 3.940 4.333 -0.393 1
1 1030 . 5 1 1 A 77 77 LEU C C 77 175.300 176.283 -0.983 1
1 1031 . 5 1 1 A 77 77 LEU CA C 77 56.800 56.642 0.158 1
1 1032 . 5 1 1 A 77 77 LEU CB C 77 41.800 42.347 -0.547 1
1 1036 . 5 1 1 A 77 77 LEU N N 77 128.900 127.559 1.341 1
1 1037 . 5 1 1 A 78 78 ILE H H 78 8.880 8.688 0.192 1
1 1038 . 5 1 1 A 78 78 ILE HA H 78 4.810 4.192 0.618 1
1 1048 . 5 1 1 A 78 78 ILE C C 78 174.600 175.874 -1.274 1
1 1049 . 5 1 1 A 78 78 ILE CA C 78 58.300 62.357 -4.057 1
1 1050 . 5 1 1 A 78 78 ILE CB C 78 38.270 39.034 -0.764 1
1 1054 . 5 1 1 A 78 78 ILE N N 78 126.900 127.236 -0.336 1
1 1055 . 5 1 1 A 79 79 ALA H H 79 7.940 7.432 0.508 1
1 1056 . 5 1 1 A 79 79 ALA HA H 79 5.390 4.913 0.477 1
1 1060 . 5 1 1 A 79 79 ALA C C 79 175.300 175.205 0.095 1
1 1061 . 5 1 1 A 79 79 ALA CA C 79 51.600 51.745 -0.145 1
1 1062 . 5 1 1 A 79 79 ALA CB C 79 24.000 22.451 1.549 1
1 1063 . 5 1 1 A 79 79 ALA N N 79 115.000 118.606 -3.606 1
1 1064 . 5 1 1 A 80 80 ILE H H 80 8.580 8.658 -0.078 1
1 1065 . 5 1 1 A 80 80 ILE HA H 80 4.840 5.105 -0.265 1
1 1075 . 5 1 1 A 80 80 ILE C C 80 175.000 175.844 -0.844 1
1 1076 . 5 1 1 A 80 80 ILE CA C 80 60.300 59.658 0.642 1
1 1077 . 5 1 1 A 80 80 ILE CB C 80 42.800 41.881 0.919 1
1 1081 . 5 1 1 A 80 80 ILE N N 80 117.900 120.250 -2.350 1
1 1082 . 5 1 1 A 81 81 GLY H H 81 8.200 7.448 0.752 1
1 1083 . 5 1 1 A 81 81 GLY HA2 H 81 3.750 3.887 -0.137 1
1 1084 . 5 1 1 A 81 81 GLY HA3 H 81 4.070 4.043 0.027 1
1 1085 . 5 1 1 A 81 81 GLY C C 81 169.100 171.431 -2.331 1
1 1086 . 5 1 1 A 81 81 GLY CA C 81 46.600 45.289 1.311 1
1 1087 . 5 1 1 A 81 81 GLY N N 81 116.400 111.947 4.453 1
1 1088 . 5 1 1 A 82 82 PHE H H 82 8.210 7.968 0.242 1
1 1089 . 5 1 1 A 82 82 PHE HA H 82 5.340 5.510 -0.170 1
1 1094 . 5 1 1 A 82 82 PHE C C 82 172.400 173.063 -0.663 1
1 1095 . 5 1 1 A 82 82 PHE CA C 82 56.300 55.547 0.753 1
1 1096 . 5 1 1 A 82 82 PHE CB C 82 40.100 42.531 -2.431 1
1 1099 . 5 1 1 A 82 82 PHE N N 82 114.500 114.533 -0.033 1
1 1100 . 5 1 1 A 83 83 ILE H H 83 8.490 9.011 -0.521 1
1 1101 . 5 1 1 A 83 83 ILE HA H 83 4.740 4.764 -0.024 1
1 1111 . 5 1 1 A 83 83 ILE C C 83 175.200 175.550 -0.350 1
1 1112 . 5 1 1 A 83 83 ILE CA C 83 60.400 60.642 -0.242 1
1 1113 . 5 1 1 A 83 83 ILE CB C 83 39.500 39.140 0.360 1
1 1117 . 5 1 1 A 83 83 ILE N N 83 123.400 121.420 1.980 1
1 1118 . 5 1 1 A 84 84 ASP H H 84 8.550 9.086 -0.536 1
1 1119 . 5 1 1 A 84 84 ASP HA H 84 5.170 5.040 0.130 1
1 1122 . 5 1 1 A 84 84 ASP C C 84 178.600 177.891 0.709 1
1 1123 . 5 1 1 A 84 84 ASP CA C 84 52.200 53.427 -1.227 1
1 1124 . 5 1 1 A 84 84 ASP CB C 84 42.400 42.084 0.316 1
1 1125 . 5 1 1 A 84 84 ASP N N 84 126.900 127.453 -0.553 1
1 1126 . 5 1 1 A 85 85 GLU H H 85 9.250 9.011 0.239 1
1 1127 . 5 1 1 A 85 85 GLU HA H 85 4.350 3.974 0.376 1
1 1132 . 5 1 1 A 85 85 GLU C C 85 176.800 177.400 -0.600 1
1 1133 . 5 1 1 A 85 85 GLU CA C 85 58.400 59.239 -0.839 1
1 1134 . 5 1 1 A 85 85 GLU CB C 85 28.700 29.418 -0.718 1
1 1136 . 5 1 1 A 85 85 GLU N N 85 118.000 122.370 -4.370 1
1 1137 . 5 1 1 A 86 86 ASN H H 86 8.280 7.960 0.320 1
1 1138 . 5 1 1 A 86 86 ASN HA H 86 4.760 4.972 -0.212 1
1 1143 . 5 1 1 A 86 86 ASN C C 86 174.600 174.289 0.311 1
1 1144 . 5 1 1 A 86 86 ASN CA C 86 52.800 52.992 -0.192 1
1 1145 . 5 1 1 A 86 86 ASN CB C 86 38.900 38.699 0.201 1
1 1147 . 5 1 1 A 86 86 ASN N N 86 118.300 115.399 2.901 1
1 1149 . 5 1 1 A 87 87 HIS H H 87 8.570 7.789 0.781 1
1 1150 . 5 1 1 A 87 87 HIS HA H 87 3.940 4.143 -0.203 1
1 1154 . 5 1 1 A 87 87 HIS C C 87 173.600 173.888 -0.288 1
1 1155 . 5 1 1 A 87 87 HIS CA C 87 57.000 57.343 -0.343 1
1 1156 . 5 1 1 A 87 87 HIS CB C 87 26.700 26.983 -0.283 1
1 1158 . 5 1 1 A 87 87 HIS N N 87 114.000 114.863 -0.863 1
1 1159 . 5 1 1 A 88 88 ASP H H 88 8.210 8.021 0.189 1
1 1160 . 5 1 1 A 88 88 ASP HA H 88 4.840 4.602 0.238 1
1 1163 . 5 1 1 A 88 88 ASP C C 88 174.800 175.567 -0.767 1
1 1164 . 5 1 1 A 88 88 ASP CA C 88 53.900 54.444 -0.544 1
1 1165 . 5 1 1 A 88 88 ASP CB C 88 41.500 41.470 0.030 1
1 1166 . 5 1 1 A 88 88 ASP N N 88 120.300 119.935 0.365 1
1 1167 . 5 1 1 A 89 89 MET H H 89 8.550 8.665 -0.115 1
1 1168 . 5 1 1 A 89 89 MET HA H 89 4.450 4.939 -0.489 1
1 1176 . 5 1 1 A 89 89 MET C C 89 173.400 173.697 -0.297 1
1 1177 . 5 1 1 A 89 89 MET CA C 89 55.800 53.534 2.266 1
1 1178 . 5 1 1 A 89 89 MET CB C 89 34.700 33.606 1.094 1
1 1181 . 5 1 1 A 89 89 MET N N 89 120.400 121.434 -1.034 1
1 1182 . 5 1 1 A 90 90 ASP H H 90 8.420 8.114 0.306 1
1 1183 . 5 1 1 A 90 90 ASP HA H 90 4.580 4.697 -0.117 1
1 1186 . 5 1 1 A 90 90 ASP C C 90 174.600 174.161 0.439 1
1 1187 . 5 1 1 A 90 90 ASP CA C 90 52.300 52.022 0.278 1
1 1188 . 5 1 1 A 90 90 ASP CB C 90 41.800 41.438 0.362 1
1 1189 . 5 1 1 A 90 90 ASP N N 90 126.900 125.640 1.260 1
1 1190 . 5 1 1 A 91 91 PHE H H 91 8.350 8.958 -0.608 1
1 1191 . 5 1 1 A 91 91 PHE HA H 91 4.780 4.969 -0.189 1
1 1199 . 5 1 1 A 91 91 PHE C C 91 175.600 175.428 0.172 1
1 1200 . 5 1 1 A 91 91 PHE CA C 91 58.200 56.901 1.299 1
1 1201 . 5 1 1 A 91 91 PHE CB C 91 41.400 40.224 1.176 1
1 1207 . 5 1 1 A 91 91 PHE N N 91 118.600 124.985 -6.385 1
1 1208 . 5 1 1 A 92 92 LEU H H 92 9.060 8.630 0.430 1
1 1209 . 5 1 1 A 92 92 LEU HA H 92 4.330 4.572 -0.242 1
1 1219 . 5 1 1 A 92 92 LEU C C 92 175.700 176.570 -0.870 1
1 1220 . 5 1 1 A 92 92 LEU CA C 92 55.200 55.490 -0.290 1
1 1221 . 5 1 1 A 92 92 LEU CB C 92 43.500 43.185 0.315 1
1 1225 . 5 1 1 A 92 92 LEU N N 92 121.100 124.911 -3.811 1
1 1226 . 5 1 1 A 93 93 TYR H H 93 7.970 7.640 0.330 1
1 1227 . 5 1 1 A 93 93 TYR HA H 93 4.780 4.878 -0.098 1
1 1234 . 5 1 1 A 93 93 TYR C C 93 172.800 173.049 -0.249 1
1 1235 . 5 1 1 A 93 93 TYR CA C 93 57.600 57.879 -0.279 1
1 1236 . 5 1 1 A 93 93 TYR CB C 93 42.500 41.300 1.200 1
1 1241 . 5 1 1 A 93 93 TYR N N 93 118.600 118.652 -0.052 1
1 1242 . 5 1 1 A 94 94 LEU H H 94 8.220 8.658 -0.438 1
1 1243 . 5 1 1 A 94 94 LEU HA H 94 5.060 5.067 -0.007 1
1 1253 . 5 1 1 A 94 94 LEU C C 94 171.900 173.938 -2.038 1
1 1254 . 5 1 1 A 94 94 LEU CA C 94 55.100 53.103 1.997 1
1 1255 . 5 1 1 A 94 94 LEU CB C 94 44.800 45.041 -0.241 1
1 1259 . 5 1 1 A 94 94 LEU N N 94 128.600 130.584 -1.984 1
1 1260 . 5 1 1 A 95 95 HIS H H 95 9.720 8.620 1.100 1
1 1261 . 5 1 1 A 95 95 HIS HA H 95 4.570 5.028 -0.458 1
1 1266 . 5 1 1 A 95 95 HIS C C 95 173.100 172.698 0.402 1
1 1267 . 5 1 1 A 95 95 HIS CA C 95 55.500 54.562 0.938 1
1 1268 . 5 1 1 A 95 95 HIS CB C 95 35.900 33.123 2.777 1
1 1271 . 5 1 1 A 95 95 HIS N N 95 133.000 125.711 7.289 1
1 1272 . 5 1 1 A 96 96 ASN H H 96 7.670 8.456 -0.786 1
1 1273 . 5 1 1 A 96 96 ASN HA H 96 4.930 4.928 0.002 1
1 1278 . 5 1 1 A 96 96 ASN C C 96 176.100 176.343 -0.243 1
1 1279 . 5 1 1 A 96 96 ASN CA C 96 51.000 52.521 -1.521 1
1 1280 . 5 1 1 A 96 96 ASN CB C 96 38.500 40.510 -2.010 1
1 1281 . 5 1 1 A 96 96 ASN N N 96 118.600 127.079 -8.479 1
1 1283 . 5 1 1 A 97 97 THR H H 97 10.580 8.915 1.665 1
1 1284 . 5 1 1 A 97 97 THR HA H 97 4.090 3.831 0.259 1
1 1289 . 5 1 1 A 97 97 THR C C 97 174.600 175.973 -1.373 1
1 1290 . 5 1 1 A 97 97 THR CA C 97 67.000 65.910 1.090 1
1 1291 . 5 1 1 A 97 97 THR CB C 97 68.300 68.282 0.018 1
1 1293 . 5 1 1 A 97 97 THR N N 97 116.300 119.912 -3.612 1
1 1294 . 5 1 1 A 98 98 VAL H H 98 8.440 7.564 0.876 1
1 1295 . 5 1 1 A 98 98 VAL HA H 98 4.180 3.886 0.294 1
1 1303 . 5 1 1 A 98 98 VAL C C 98 174.800 176.333 -1.533 1
1 1304 . 5 1 1 A 98 98 VAL CA C 98 64.400 64.590 -0.190 1
1 1305 . 5 1 1 A 98 98 VAL CB C 98 33.100 32.129 0.971 1
1 1308 . 5 1 1 A 98 98 VAL N N 98 123.900 120.285 3.615 1
1 1309 . 5 1 1 A 99 99 MET H H 99 8.590 7.893 0.697 1
1 1310 . 5 1 1 A 99 99 MET HA H 99 4.720 4.763 -0.043 1
1 1318 . 5 1 1 A 99 99 MET CA C 99 52.400 53.842 -1.442 1
1 1319 . 5 1 1 A 99 99 MET CB C 99 34.100 34.507 -0.407 1
1 1322 . 5 1 1 A 99 99 MET N N 99 118.700 114.959 3.741 1
1 1323 . 5 1 1 A 100 100 PRO HA H 100 4.210 3.739 0.471 1
1 1330 . 5 1 1 A 100 100 PRO C C 100 175.900 176.018 -0.118 1
1 1331 . 5 1 1 A 100 100 PRO CA C 100 62.100 62.726 -0.626 1
1 1332 . 5 1 1 A 100 100 PRO CB C 100 31.000 31.786 -0.786 1
1 1335 . 5 1 1 A 101 101 LEU H H 101 9.010 8.415 0.595 1
1 1336 . 5 1 1 A 101 101 LEU HA H 101 4.310 4.322 -0.012 1
1 1346 . 5 1 1 A 101 101 LEU C C 101 176.900 176.316 0.584 1
1 1347 . 5 1 1 A 101 101 LEU CA C 101 55.000 55.586 -0.586 1
1 1348 . 5 1 1 A 101 101 LEU CB C 101 42.800 42.273 0.527 1
1 1352 . 5 1 1 A 101 101 LEU N N 101 124.000 119.455 4.545 1
1 1353 . 5 1 1 A 102 102 LEU H H 102 7.620 7.442 0.178 1
1 1354 . 5 1 1 A 102 102 LEU HA H 102 4.360 4.809 -0.449 1
1 1364 . 5 1 1 A 102 102 LEU C C 102 174.800 175.274 -0.474 1
1 1365 . 5 1 1 A 102 102 LEU CA C 102 54.900 53.411 1.489 1
1 1366 . 5 1 1 A 102 102 LEU CB C 102 45.300 43.759 1.541 1
1 1370 . 5 1 1 A 102 102 LEU N N 102 119.000 118.107 0.893 1
1 1371 . 5 1 1 A 103 103 ASP H H 103 9.120 8.545 0.575 1
1 1372 . 5 1 1 A 103 103 ASP HA H 103 5.100 5.192 -0.092 1
1 1375 . 5 1 1 A 103 103 ASP C C 103 174.500 174.423 0.077 1
1 1376 . 5 1 1 A 103 103 ASP CA C 103 54.900 54.339 0.561 1
1 1377 . 5 1 1 A 103 103 ASP CB C 103 41.000 42.248 -1.248 1
1 1378 . 5 1 1 A 103 103 ASP N N 103 120.700 124.048 -3.348 1
1 1379 . 5 1 1 A 104 104 GLN H H 104 8.990 8.981 0.009 1
1 1380 . 5 1 1 A 104 104 GLN HA H 104 4.710 4.882 -0.172 1
1 1387 . 5 1 1 A 104 104 GLN C C 104 176.100 176.043 0.057 1
1 1388 . 5 1 1 A 104 104 GLN CA C 104 54.100 55.051 -0.951 1
1 1389 . 5 1 1 A 104 104 GLN CB C 104 28.500 30.477 -1.977 1
1 1392 . 5 1 1 A 104 104 GLN N N 104 125.400 125.608 -0.208 1
1 1394 . 5 1 1 A 105 105 ARG H H 105 8.380 8.973 -0.593 1
1 1395 . 5 1 1 A 105 105 ARG HA H 105 3.510 3.929 -0.419 1
1 1402 . 5 1 1 A 105 105 ARG C C 105 177.500 178.041 -0.541 1
1 1403 . 5 1 1 A 105 105 ARG CA C 105 60.200 59.583 0.617 1
1 1404 . 5 1 1 A 105 105 ARG CB C 105 29.400 29.672 -0.272 1
1 1407 . 5 1 1 A 105 105 ARG N N 105 117.700 126.114 -8.414 1
1 1408 . 5 1 1 A 106 106 TYR H H 106 7.800 8.179 -0.379 1
1 1409 . 5 1 1 A 106 106 TYR HA H 106 4.360 4.411 -0.051 1
1 1416 . 5 1 1 A 106 106 TYR C C 106 176.800 178.482 -1.682 1
1 1417 . 5 1 1 A 106 106 TYR CA C 106 58.600 60.227 -1.627 1
1 1418 . 5 1 1 A 106 106 TYR CB C 106 36.000 38.453 -2.453 1
1 1423 . 5 1 1 A 106 106 TYR N N 106 118.100 119.367 -1.267 1
1 1424 . 5 1 1 A 107 107 LEU H H 107 7.170 8.598 -1.428 1
1 1425 . 5 1 1 A 107 107 LEU HA H 107 3.970 4.115 -0.145 1
1 1435 . 5 1 1 A 107 107 LEU C C 107 178.300 178.187 0.113 1
1 1436 . 5 1 1 A 107 107 LEU CA C 107 56.600 57.857 -1.257 1
1 1437 . 5 1 1 A 107 107 LEU CB C 107 41.800 41.338 0.462 1
1 1441 . 5 1 1 A 107 107 LEU N N 107 121.900 119.685 2.215 1
1 1442 . 5 1 1 A 108 108 LEU H H 108 7.680 7.547 0.133 1
1 1443 . 5 1 1 A 108 108 LEU HA H 108 4.070 4.173 -0.103 1
1 1453 . 5 1 1 A 108 108 LEU C C 108 177.500 177.523 -0.023 1
1 1454 . 5 1 1 A 108 108 LEU CA C 108 55.400 55.717 -0.317 1
1 1455 . 5 1 1 A 108 108 LEU CB C 108 41.500 41.803 -0.303 1
1 1459 . 5 1 1 A 108 108 LEU N N 108 115.400 119.633 -4.233 1
1 1460 . 5 1 1 A 109 109 THR H H 109 7.510 7.616 -0.106 1
1 1461 . 5 1 1 A 109 109 THR HA H 109 4.310 4.460 -0.150 1
1 1466 . 5 1 1 A 109 109 THR C C 109 175.300 175.513 -0.213 1
1 1467 . 5 1 1 A 109 109 THR CA C 109 61.600 62.187 -0.587 1
1 1468 . 5 1 1 A 109 109 THR CB C 109 69.500 69.693 -0.193 1
1 1470 . 5 1 1 A 109 109 THR N N 109 108.800 110.854 -2.054 1
1 1471 . 5 1 1 A 110 110 GLY H H 110 8.010 7.740 0.270 1
1 1472 . 5 1 1 A 110 110 GLY HA2 H 110 3.950 4.145 -0.195 1
1 1473 . 5 1 1 A 110 110 GLY HA3 H 110 4.030 4.175 -0.145 1
1 1474 . 5 1 1 A 110 110 GLY C C 110 174.500 175.052 -0.552 1
1 1475 . 5 1 1 A 110 110 GLY CA C 110 45.400 45.961 -0.561 1
1 1476 . 5 1 1 A 110 110 GLY N N 110 110.100 110.762 -0.662 1
1 1477 . 5 1 1 A 111 111 GLY H H 111 8.310 7.622 0.688 1
1 1478 . 5 1 1 A 111 111 GLY HA2 H 111 3.930 4.133 -0.203 1
1 1479 . 5 1 1 A 111 111 GLY HA3 H 111 3.930 4.169 -0.239 1
1 1480 . 5 1 1 A 111 111 GLY C C 111 173.700 172.724 0.976 1
1 1481 . 5 1 1 A 111 111 GLY CA C 111 45.400 44.523 0.877 1
1 1482 . 5 1 1 A 111 111 GLY N N 111 108.300 108.473 -0.173 1
1 1483 . 5 1 1 A 112 112 GLN H H 112 8.280 8.235 0.045 1
1 1484 . 5 1 1 A 112 112 GLN HA H 112 4.270 4.358 -0.088 1
1 1491 . 5 1 1 A 112 112 GLN C C 112 175.700 175.405 0.295 1
1 1492 . 5 1 1 A 112 112 GLN CA C 112 55.600 56.552 -0.952 1
1 1493 . 5 1 1 A 112 112 GLN CB C 112 29.200 29.027 0.173 1
1 1496 . 5 1 1 A 112 112 GLN N N 112 119.200 120.538 -1.338 1
1 1498 . 5 1 1 A 113 113 LEU H H 113 8.260 8.399 -0.139 1
1 1499 . 5 1 1 A 113 113 LEU HA H 113 4.180 4.451 -0.271 1
1 1509 . 5 1 1 A 113 113 LEU C C 113 177.000 176.704 0.296 1
1 1510 . 5 1 1 A 113 113 LEU CA C 113 55.100 54.459 0.641 1
1 1511 . 5 1 1 A 113 113 LEU CB C 113 42.100 42.959 -0.859 1
1 1515 . 5 1 1 A 113 113 LEU N N 113 122.800 122.229 0.571 1
1 1516 . 5 1 1 A 114 114 GLU H H 114 8.290 8.882 -0.592 1
1 1517 . 5 1 1 A 114 114 GLU HA H 114 4.140 4.402 -0.262 1
1 1522 . 5 1 1 A 114 114 GLU CA C 114 56.300 55.885 0.415 1
1 1523 . 5 1 1 A 114 114 GLU CB C 114 30.200 30.723 -0.523 1
1 1 . 6 1 1 A 2 2 THR HA H 2 4.300 4.121 0.179 1
1 6 . 6 1 1 A 2 2 THR C C 2 174.800 174.873 -0.073 1
1 7 . 6 1 1 A 2 2 THR CA C 2 61.100 63.349 -2.249 1
1 8 . 6 1 1 A 2 2 THR CB C 2 70.400 66.843 3.557 1
1 10 . 6 1 1 A 3 3 LEU H H 3 8.760 7.795 0.965 1
1 11 . 6 1 1 A 3 3 LEU HA H 3 4.110 3.952 0.158 1
1 21 . 6 1 1 A 3 3 LEU C C 3 178.300 178.486 -0.186 1
1 22 . 6 1 1 A 3 3 LEU CA C 3 57.800 58.169 -0.369 1
1 23 . 6 1 1 A 3 3 LEU CB C 3 41.600 41.740 -0.140 1
1 27 . 6 1 1 A 3 3 LEU N N 3 123.600 123.813 -0.213 1
1 28 . 6 1 1 A 4 4 GLU H H 4 8.740 8.083 0.657 1
1 29 . 6 1 1 A 4 4 GLU HA H 4 3.670 4.007 -0.337 1
1 34 . 6 1 1 A 4 4 GLU C C 4 177.900 179.372 -1.472 1
1 35 . 6 1 1 A 4 4 GLU CA C 4 60.000 59.216 0.784 1
1 36 . 6 1 1 A 4 4 GLU CB C 4 29.200 29.084 0.116 1
1 38 . 6 1 1 A 4 4 GLU N N 4 116.500 119.618 -3.118 1
1 39 . 6 1 1 A 5 5 LEU H H 5 7.340 8.439 -1.099 1
1 40 . 6 1 1 A 5 5 LEU HA H 5 3.900 3.953 -0.053 1
1 50 . 6 1 1 A 5 5 LEU C C 5 178.900 179.309 -0.409 1
1 51 . 6 1 1 A 5 5 LEU CA C 5 56.900 58.006 -1.106 1
1 52 . 6 1 1 A 5 5 LEU CB C 5 41.200 41.225 -0.025 1
1 56 . 6 1 1 A 5 5 LEU N N 5 120.500 120.784 -0.284 1
1 57 . 6 1 1 A 6 6 GLN H H 6 8.350 7.779 0.571 1
1 58 . 6 1 1 A 6 6 GLN HA H 6 3.970 4.059 -0.089 1
1 63 . 6 1 1 A 6 6 GLN C C 6 179.700 178.803 0.897 1
1 64 . 6 1 1 A 6 6 GLN CA C 6 59.100 58.364 0.736 1
1 65 . 6 1 1 A 6 6 GLN CB C 6 29.100 28.364 0.736 1
1 67 . 6 1 1 A 6 6 GLN N N 6 120.800 118.317 2.483 1
1 68 . 6 1 1 A 7 7 LEU H H 7 8.620 8.299 0.321 1
1 69 . 6 1 1 A 7 7 LEU HA H 7 4.010 4.117 -0.107 1
1 79 . 6 1 1 A 7 7 LEU C C 7 176.900 178.154 -1.254 1
1 80 . 6 1 1 A 7 7 LEU CA C 7 57.800 57.709 0.091 1
1 81 . 6 1 1 A 7 7 LEU CB C 7 41.700 41.480 0.220 1
1 85 . 6 1 1 A 7 7 LEU N N 7 121.000 121.391 -0.391 1
1 86 . 6 1 1 A 8 8 LYS H H 8 7.750 8.534 -0.784 1
1 87 . 6 1 1 A 8 8 LYS HA H 8 3.570 3.733 -0.163 1
1 96 . 6 1 1 A 8 8 LYS C C 8 179.400 178.745 0.655 1
1 97 . 6 1 1 A 8 8 LYS CA C 8 59.000 59.055 -0.055 1
1 98 . 6 1 1 A 8 8 LYS CB C 8 32.400 32.157 0.243 1
1 102 . 6 1 1 A 8 8 LYS N N 8 119.700 119.452 0.248 1
1 103 . 6 1 1 A 9 9 HIS H H 9 8.520 8.094 0.426 1
1 104 . 6 1 1 A 9 9 HIS HA H 9 4.050 4.530 -0.480 1
1 107 . 6 1 1 A 9 9 HIS C C 9 176.500 176.655 -0.155 1
1 108 . 6 1 1 A 9 9 HIS CA C 9 59.400 59.154 0.246 1
1 109 . 6 1 1 A 9 9 HIS CB C 9 29.900 29.717 0.183 1
1 110 . 6 1 1 A 9 9 HIS N N 9 120.500 119.559 0.941 1
1 111 . 6 1 1 A 10 10 TYR H H 10 7.990 8.532 -0.542 1
1 112 . 6 1 1 A 10 10 TYR HA H 10 4.160 4.055 0.105 1
1 119 . 6 1 1 A 10 10 TYR C C 10 177.400 177.211 0.189 1
1 120 . 6 1 1 A 10 10 TYR CA C 10 61.800 61.383 0.417 1
1 121 . 6 1 1 A 10 10 TYR CB C 10 39.500 38.688 0.812 1
1 126 . 6 1 1 A 10 10 TYR N N 10 119.200 120.271 -1.071 1
1 127 . 6 1 1 A 11 11 ILE H H 11 8.710 8.598 0.112 1
1 128 . 6 1 1 A 11 11 ILE HA H 11 3.540 3.532 0.008 1
1 138 . 6 1 1 A 11 11 ILE CA C 11 61.600 64.418 -2.818 1
1 139 . 6 1 1 A 11 11 ILE CB C 11 36.200 37.690 -1.490 1
1 143 . 6 1 1 A 11 11 ILE N N 11 118.900 120.725 -1.825 1
1 144 . 6 1 1 A 12 12 THR HA H 12 3.840 4.032 -0.192 1
1 149 . 6 1 1 A 12 12 THR C C 12 176.900 176.488 0.412 1
1 150 . 6 1 1 A 12 12 THR CA C 12 66.400 65.947 0.453 1
1 151 . 6 1 1 A 12 12 THR CB C 12 68.300 68.239 0.061 1
1 153 . 6 1 1 A 13 13 ASN H H 13 7.440 8.457 -1.017 1
1 154 . 6 1 1 A 13 13 ASN HA H 13 4.420 4.280 0.140 1
1 159 . 6 1 1 A 13 13 ASN C C 13 176.700 177.156 -0.456 1
1 160 . 6 1 1 A 13 13 ASN CA C 13 55.900 56.363 -0.463 1
1 161 . 6 1 1 A 13 13 ASN CB C 13 38.600 38.261 0.339 1
1 163 . 6 1 1 A 13 13 ASN N N 13 118.300 120.422 -2.122 1
1 165 . 6 1 1 A 14 14 LEU H H 14 7.890 7.773 0.117 1
1 166 . 6 1 1 A 14 14 LEU HA H 14 3.660 3.699 -0.039 1
1 176 . 6 1 1 A 14 14 LEU C C 14 177.900 177.794 0.106 1
1 177 . 6 1 1 A 14 14 LEU CA C 14 57.600 57.565 0.035 1
1 178 . 6 1 1 A 14 14 LEU CB C 14 42.600 41.037 1.563 1
1 182 . 6 1 1 A 14 14 LEU N N 14 122.100 120.454 1.646 1
1 183 . 6 1 1 A 15 15 PHE H H 15 7.670 7.643 0.027 1
1 184 . 6 1 1 A 15 15 PHE HA H 15 4.490 4.503 -0.013 1
1 191 . 6 1 1 A 15 15 PHE C C 15 173.800 174.626 -0.826 1
1 192 . 6 1 1 A 15 15 PHE CA C 15 57.900 56.978 0.922 1
1 193 . 6 1 1 A 15 15 PHE CB C 15 38.900 39.528 -0.628 1
1 198 . 6 1 1 A 15 15 PHE N N 15 111.800 113.723 -1.923 1
1 199 . 6 1 1 A 16 16 ASN H H 16 7.450 8.148 -0.698 1
1 200 . 6 1 1 A 16 16 ASN HA H 16 4.420 4.422 -0.002 1
1 205 . 6 1 1 A 16 16 ASN C C 16 174.200 174.205 -0.005 1
1 206 . 6 1 1 A 16 16 ASN CA C 16 54.100 54.386 -0.286 1
1 207 . 6 1 1 A 16 16 ASN CB C 16 36.500 36.677 -0.177 1
1 209 . 6 1 1 A 16 16 ASN N N 16 118.500 114.428 4.072 1
1 211 . 6 1 1 A 17 17 LEU H H 17 8.410 7.855 0.555 1
1 212 . 6 1 1 A 17 17 LEU HA H 17 4.630 4.536 0.094 1
1 222 . 6 1 1 A 17 17 LEU CA C 17 52.300 52.737 -0.437 1
1 223 . 6 1 1 A 17 17 LEU CB C 17 41.000 41.419 -0.419 1
1 227 . 6 1 1 A 17 17 LEU N N 17 118.700 119.974 -1.274 1
1 228 . 6 1 1 A 18 18 PRO HA H 18 4.380 4.405 -0.025 1
1 235 . 6 1 1 A 18 18 PRO C C 18 178.600 177.081 1.519 1
1 236 . 6 1 1 A 18 18 PRO CA C 18 63.100 63.428 -0.328 1
1 237 . 6 1 1 A 18 18 PRO CB C 18 31.800 32.016 -0.216 1
1 240 . 6 1 1 A 19 19 ARG H H 19 8.650 8.300 0.350 1
1 241 . 6 1 1 A 19 19 ARG HA H 19 3.820 4.454 -0.634 1
1 248 . 6 1 1 A 19 19 ARG C C 19 176.500 176.917 -0.417 1
1 249 . 6 1 1 A 19 19 ARG CA C 19 58.100 57.853 0.247 1
1 250 . 6 1 1 A 19 19 ARG CB C 19 30.300 31.349 -1.049 1
1 253 . 6 1 1 A 19 19 ARG N N 19 124.600 122.230 2.370 1
1 254 . 6 1 1 A 20 20 ASP H H 20 8.390 7.953 0.437 1
1 255 . 6 1 1 A 20 20 ASP HA H 20 4.550 4.723 -0.173 1
1 258 . 6 1 1 A 20 20 ASP C C 20 175.700 176.026 -0.326 1
1 259 . 6 1 1 A 20 20 ASP CA C 20 53.000 55.121 -2.121 1
1 260 . 6 1 1 A 20 20 ASP CB C 20 40.400 40.850 -0.450 1
1 261 . 6 1 1 A 20 20 ASP N N 20 114.300 118.009 -3.709 1
1 262 . 6 1 1 A 21 21 GLU H H 21 6.780 7.766 -0.986 1
1 263 . 6 1 1 A 21 21 GLU HA H 21 4.150 4.215 -0.065 1
1 268 . 6 1 1 A 21 21 GLU C C 21 175.400 176.604 -1.204 1
1 269 . 6 1 1 A 21 21 GLU CA C 21 56.200 55.903 0.297 1
1 270 . 6 1 1 A 21 21 GLU CB C 21 31.600 30.098 1.502 1
1 272 . 6 1 1 A 21 21 GLU N N 21 121.600 121.950 -0.350 1
1 273 . 6 1 1 A 22 22 LYS H H 22 8.860 8.438 0.422 1
1 274 . 6 1 1 A 22 22 LYS HA H 22 4.160 4.465 -0.305 1
1 283 . 6 1 1 A 22 22 LYS C C 22 176.100 176.902 -0.802 1
1 284 . 6 1 1 A 22 22 LYS CA C 22 57.200 56.125 1.075 1
1 285 . 6 1 1 A 22 22 LYS CB C 22 33.000 33.037 -0.037 1
1 289 . 6 1 1 A 22 22 LYS N N 22 128.900 123.546 5.354 1
1 290 . 6 1 1 A 23 23 TRP H H 23 8.750 9.005 -0.255 1
1 291 . 6 1 1 A 23 23 TRP HA H 23 5.400 5.178 0.222 1
1 300 . 6 1 1 A 23 23 TRP C C 23 176.500 174.884 1.616 1
1 301 . 6 1 1 A 23 23 TRP CA C 23 54.600 56.477 -1.877 1
1 302 . 6 1 1 A 23 23 TRP CB C 23 31.100 32.160 -1.060 1
1 308 . 6 1 1 A 23 23 TRP N N 23 126.100 124.972 1.128 1
1 310 . 6 1 1 A 24 24 GLU H H 24 9.040 9.139 -0.099 1
1 311 . 6 1 1 A 24 24 GLU HA H 24 4.590 5.164 -0.574 1
1 316 . 6 1 1 A 24 24 GLU C C 24 174.100 175.904 -1.804 1
1 317 . 6 1 1 A 24 24 GLU CA C 24 54.200 55.147 -0.947 1
1 318 . 6 1 1 A 24 24 GLU CB C 24 31.600 32.702 -1.102 1
1 320 . 6 1 1 A 24 24 GLU N N 24 122.700 124.365 -1.665 1
1 321 . 6 1 1 A 25 25 CYS H H 25 8.740 9.178 -0.438 1
1 322 . 6 1 1 A 25 25 CYS HA H 25 4.870 5.063 -0.193 1
1 325 . 6 1 1 A 25 25 CYS C C 25 174.400 173.524 0.876 1
1 326 . 6 1 1 A 25 25 CYS CA C 25 57.200 57.591 -0.391 1
1 327 . 6 1 1 A 25 25 CYS CB C 25 30.200 29.595 0.605 1
1 328 . 6 1 1 A 25 25 CYS N N 25 119.900 125.846 -5.946 1
1 329 . 6 1 1 A 26 26 GLU H H 26 9.220 8.373 0.847 1
1 330 . 6 1 1 A 26 26 GLU HA H 26 4.740 4.984 -0.244 1
1 335 . 6 1 1 A 26 26 GLU C C 26 175.000 174.603 0.397 1
1 336 . 6 1 1 A 26 26 GLU CA C 26 55.100 55.090 0.010 1
1 337 . 6 1 1 A 26 26 GLU CB C 26 31.700 33.305 -1.605 1
1 339 . 6 1 1 A 26 26 GLU N N 26 131.200 124.219 6.981 1
1 340 . 6 1 1 A 27 27 SER H H 27 8.900 8.916 -0.016 1
1 341 . 6 1 1 A 27 27 SER HA H 27 5.750 5.295 0.455 1
1 344 . 6 1 1 A 27 27 SER C C 27 173.600 173.667 -0.067 1
1 345 . 6 1 1 A 27 27 SER CA C 27 56.700 58.110 -1.410 1
1 346 . 6 1 1 A 27 27 SER CB C 27 64.200 64.528 -0.328 1
1 347 . 6 1 1 A 27 27 SER N N 27 125.100 124.017 1.083 1
1 348 . 6 1 1 A 28 28 ILE H H 28 8.540 9.037 -0.497 1
1 349 . 6 1 1 A 28 28 ILE HA H 28 4.680 4.931 -0.251 1
1 359 . 6 1 1 A 28 28 ILE C C 28 174.100 173.959 0.141 1
1 360 . 6 1 1 A 28 28 ILE CA C 28 59.800 58.727 1.073 1
1 361 . 6 1 1 A 28 28 ILE CB C 28 42.700 42.205 0.495 1
1 365 . 6 1 1 A 28 28 ILE N N 28 123.200 120.877 2.323 1
1 366 . 6 1 1 A 29 29 GLU H H 29 8.430 8.484 -0.054 1
1 367 . 6 1 1 A 29 29 GLU HA H 29 5.430 5.082 0.348 1
1 372 . 6 1 1 A 29 29 GLU C C 29 176.000 175.620 0.380 1
1 373 . 6 1 1 A 29 29 GLU CA C 29 55.600 55.019 0.581 1
1 374 . 6 1 1 A 29 29 GLU CB C 29 31.200 31.223 -0.023 1
1 376 . 6 1 1 A 29 29 GLU N N 29 123.900 121.584 2.316 1
1 377 . 6 1 1 A 30 30 GLU H H 30 8.850 8.460 0.390 1
1 378 . 6 1 1 A 30 30 GLU HA H 30 4.730 4.913 -0.183 1
1 383 . 6 1 1 A 30 30 GLU C C 30 174.300 176.021 -1.721 1
1 384 . 6 1 1 A 30 30 GLU CA C 30 54.700 54.259 0.441 1
1 385 . 6 1 1 A 30 30 GLU CB C 30 34.400 34.021 0.379 1
1 387 . 6 1 1 A 30 30 GLU N N 30 121.900 123.986 -2.086 1
1 388 . 6 1 1 A 31 31 VAL H H 31 9.260 8.915 0.345 1
1 389 . 6 1 1 A 31 31 VAL HA H 31 4.250 3.985 0.265 1
1 397 . 6 1 1 A 31 31 VAL C C 31 177.700 176.216 1.484 1
1 398 . 6 1 1 A 31 31 VAL CA C 31 62.500 63.519 -1.019 1
1 399 . 6 1 1 A 31 31 VAL CB C 31 31.800 31.643 0.157 1
1 402 . 6 1 1 A 31 31 VAL N N 31 124.500 122.832 1.668 1
1 403 . 6 1 1 A 32 32 ALA H H 32 9.250 8.677 0.573 1
1 404 . 6 1 1 A 32 32 ALA HA H 32 3.710 4.041 -0.331 1
1 408 . 6 1 1 A 32 32 ALA C C 32 178.600 179.217 -0.617 1
1 409 . 6 1 1 A 32 32 ALA CA C 32 55.800 55.701 0.099 1
1 410 . 6 1 1 A 32 32 ALA CB C 32 19.400 18.180 1.220 1
1 411 . 6 1 1 A 32 32 ALA N N 32 129.900 128.765 1.135 1
1 412 . 6 1 1 A 33 33 ASP H H 33 9.510 7.881 1.629 1
1 413 . 6 1 1 A 33 33 ASP HA H 33 4.180 4.457 -0.277 1
1 416 . 6 1 1 A 33 33 ASP C C 33 176.300 177.734 -1.434 1
1 417 . 6 1 1 A 33 33 ASP CA C 33 54.600 56.420 -1.820 1
1 418 . 6 1 1 A 33 33 ASP CB C 33 39.200 41.033 -1.833 1
1 419 . 6 1 1 A 33 33 ASP N N 33 110.700 118.104 -7.404 1
1 420 . 6 1 1 A 34 34 ASP H H 34 7.830 7.834 -0.004 1
1 421 . 6 1 1 A 34 34 ASP HA H 34 4.650 4.656 -0.006 1
1 424 . 6 1 1 A 34 34 ASP C C 34 176.300 177.296 -0.996 1
1 425 . 6 1 1 A 34 34 ASP CA C 34 55.100 56.068 -0.968 1
1 426 . 6 1 1 A 34 34 ASP CB C 34 41.000 41.394 -0.394 1
1 427 . 6 1 1 A 34 34 ASP N N 34 114.700 118.979 -4.279 1
1 428 . 6 1 1 A 35 35 ILE H H 35 7.290 7.246 0.044 1
1 429 . 6 1 1 A 35 35 ILE HA H 35 4.490 4.614 -0.124 1
1 439 . 6 1 1 A 35 35 ILE C C 35 174.100 175.480 -1.380 1
1 440 . 6 1 1 A 35 35 ILE CA C 35 60.700 60.812 -0.112 1
1 441 . 6 1 1 A 35 35 ILE CB C 35 40.600 38.449 2.151 1
1 445 . 6 1 1 A 35 35 ILE N N 35 113.400 111.153 2.247 1
1 446 . 6 1 1 A 36 36 LEU H H 36 7.730 8.440 -0.710 1
1 447 . 6 1 1 A 36 36 LEU HA H 36 4.800 4.908 -0.108 1
1 457 . 6 1 1 A 36 36 LEU CA C 36 52.200 51.641 0.559 1
1 458 . 6 1 1 A 36 36 LEU CB C 36 42.700 43.415 -0.715 1
1 462 . 6 1 1 A 36 36 LEU N N 36 120.400 123.712 -3.312 1
1 463 . 6 1 1 A 37 37 PRO HA H 37 4.440 4.573 -0.133 1
1 470 . 6 1 1 A 37 37 PRO C C 37 177.100 177.268 -0.168 1
1 471 . 6 1 1 A 37 37 PRO CA C 37 63.100 62.908 0.192 1
1 472 . 6 1 1 A 37 37 PRO CB C 37 32.700 32.745 -0.045 1
1 475 . 6 1 1 A 38 38 ASP H H 38 8.690 8.668 0.022 1
1 476 . 6 1 1 A 38 38 ASP HA H 38 4.230 4.291 -0.061 1
1 479 . 6 1 1 A 38 38 ASP C C 38 177.800 178.111 -0.311 1
1 480 . 6 1 1 A 38 38 ASP CA C 38 57.900 56.800 1.100 1
1 481 . 6 1 1 A 38 38 ASP CB C 38 42.200 40.346 1.854 1
1 482 . 6 1 1 A 38 38 ASP N N 38 123.800 121.859 1.941 1
1 483 . 6 1 1 A 39 39 GLN H H 39 9.080 7.812 1.268 1
1 484 . 6 1 1 A 39 39 GLN HA H 39 3.990 3.940 0.050 1
1 491 . 6 1 1 A 39 39 GLN C C 39 176.400 175.414 0.986 1
1 492 . 6 1 1 A 39 39 GLN CA C 39 58.000 58.459 -0.459 1
1 493 . 6 1 1 A 39 39 GLN CB C 39 27.300 28.929 -1.629 1
1 496 . 6 1 1 A 39 39 GLN N N 39 115.100 117.800 -2.700 1
1 498 . 6 1 1 A 40 40 TYR H H 40 7.510 8.100 -0.590 1
1 499 . 6 1 1 A 40 40 TYR HA H 40 4.730 4.882 -0.152 1
1 506 . 6 1 1 A 40 40 TYR C C 40 174.200 175.614 -1.414 1
1 507 . 6 1 1 A 40 40 TYR CA C 40 57.000 57.068 -0.068 1
1 508 . 6 1 1 A 40 40 TYR CB C 40 39.400 37.881 1.519 1
1 513 . 6 1 1 A 40 40 TYR N N 40 116.800 117.132 -0.332 1
1 514 . 6 1 1 A 41 41 VAL H H 41 7.370 7.739 -0.369 1
1 515 . 6 1 1 A 41 41 VAL HA H 41 4.000 4.261 -0.261 1
1 523 . 6 1 1 A 41 41 VAL C C 41 175.400 176.318 -0.918 1
1 524 . 6 1 1 A 41 41 VAL CA C 41 62.800 63.217 -0.417 1
1 525 . 6 1 1 A 41 41 VAL CB C 41 34.300 33.548 0.752 1
1 528 . 6 1 1 A 41 41 VAL N N 41 116.100 118.776 -2.676 1
1 529 . 6 1 1 A 42 42 ARG H H 42 7.990 7.933 0.057 1
1 530 . 6 1 1 A 42 42 ARG HA H 42 3.970 3.960 0.010 1
1 537 . 6 1 1 A 42 42 ARG C C 42 176.600 175.922 0.678 1
1 538 . 6 1 1 A 42 42 ARG CA C 42 58.500 58.025 0.475 1
1 539 . 6 1 1 A 42 42 ARG CB C 42 29.700 28.601 1.099 1
1 542 . 6 1 1 A 42 42 ARG N N 42 120.900 120.224 0.676 1
1 543 . 6 1 1 A 43 43 LEU H H 43 8.930 8.556 0.374 1
1 544 . 6 1 1 A 43 43 LEU HA H 43 4.060 4.463 -0.403 1
1 554 . 6 1 1 A 43 43 LEU C C 43 176.200 177.341 -1.141 1
1 555 . 6 1 1 A 43 43 LEU CA C 43 56.100 54.622 1.478 1
1 556 . 6 1 1 A 43 43 LEU CB C 43 40.100 42.089 -1.989 1
1 560 . 6 1 1 A 43 43 LEU N N 43 119.500 123.875 -4.375 1
1 561 . 6 1 1 A 44 44 GLY H H 44 7.890 8.225 -0.335 1
1 562 . 6 1 1 A 44 44 GLY HA2 H 44 3.930 4.027 -0.097 1
1 563 . 6 1 1 A 44 44 GLY HA3 H 44 4.540 4.031 0.509 1
1 564 . 6 1 1 A 44 44 GLY CA C 44 44.900 44.781 0.119 1
1 565 . 6 1 1 A 44 44 GLY N N 44 107.000 109.066 -2.066 1
1 566 . 6 1 1 A 45 45 PRO HA H 45 4.360 4.441 -0.081 1
1 573 . 6 1 1 A 45 45 PRO C C 45 176.900 177.298 -0.398 1
1 574 . 6 1 1 A 45 45 PRO CA C 45 64.400 64.202 0.198 1
1 575 . 6 1 1 A 45 45 PRO CB C 45 31.900 31.757 0.143 1
1 578 . 6 1 1 A 46 46 LEU H H 46 8.660 7.725 0.935 1
1 579 . 6 1 1 A 46 46 LEU HA H 46 3.970 4.335 -0.365 1
1 589 . 6 1 1 A 46 46 LEU C C 46 176.300 177.424 -1.124 1
1 590 . 6 1 1 A 46 46 LEU CA C 46 55.900 54.839 1.061 1
1 591 . 6 1 1 A 46 46 LEU CB C 46 43.500 41.333 2.167 1
1 595 . 6 1 1 A 46 46 LEU N N 46 117.000 117.764 -0.764 1
1 596 . 6 1 1 A 47 47 SER H H 47 7.160 8.019 -0.859 1
1 597 . 6 1 1 A 47 47 SER HA H 47 4.080 4.211 -0.131 1
1 600 . 6 1 1 A 47 47 SER C C 47 176.600 176.895 -0.295 1
1 601 . 6 1 1 A 47 47 SER CA C 47 59.100 60.997 -1.897 1
1 602 . 6 1 1 A 47 47 SER CB C 47 62.800 62.659 0.141 1
1 603 . 6 1 1 A 47 47 SER N N 47 110.300 116.032 -5.732 1
1 604 . 6 1 1 A 48 48 ASN H H 48 11.000 8.078 2.922 1
1 605 . 6 1 1 A 48 48 ASN HA H 48 4.090 4.823 -0.733 1
1 610 . 6 1 1 A 48 48 ASN C C 48 174.700 174.790 -0.090 1
1 611 . 6 1 1 A 48 48 ASN CA C 48 55.200 52.986 2.214 1
1 612 . 6 1 1 A 48 48 ASN CB C 48 38.300 38.592 -0.292 1
1 614 . 6 1 1 A 48 48 ASN N N 48 123.200 119.820 3.380 1
1 616 . 6 1 1 A 49 49 LYS H H 49 7.830 7.610 0.220 1
1 617 . 6 1 1 A 49 49 LYS HA H 49 4.360 4.168 0.192 1
1 626 . 6 1 1 A 49 49 LYS C C 49 175.100 176.201 -1.101 1
1 627 . 6 1 1 A 49 49 LYS CA C 49 56.100 56.356 -0.256 1
1 628 . 6 1 1 A 49 49 LYS CB C 49 33.200 32.943 0.257 1
1 632 . 6 1 1 A 49 49 LYS N N 49 119.400 121.789 -2.389 1
1 633 . 6 1 1 A 50 50 ILE H H 50 8.570 8.531 0.039 1
1 634 . 6 1 1 A 50 50 ILE HA H 50 4.160 4.318 -0.158 1
1 644 . 6 1 1 A 50 50 ILE C C 50 175.000 175.571 -0.571 1
1 645 . 6 1 1 A 50 50 ILE CA C 50 61.200 60.850 0.350 1
1 646 . 6 1 1 A 50 50 ILE CB C 50 36.900 37.718 -0.818 1
1 650 . 6 1 1 A 50 50 ILE N N 50 123.000 125.811 -2.811 1
1 651 . 6 1 1 A 51 51 LEU H H 51 9.270 8.681 0.589 1
1 652 . 6 1 1 A 51 51 LEU HA H 51 5.170 5.211 -0.041 1
1 662 . 6 1 1 A 51 51 LEU C C 51 176.300 176.411 -0.111 1
1 663 . 6 1 1 A 51 51 LEU CA C 51 52.500 53.339 -0.839 1
1 664 . 6 1 1 A 51 51 LEU CB C 51 42.600 44.831 -2.231 1
1 668 . 6 1 1 A 51 51 LEU N N 51 127.000 128.820 -1.820 1
1 669 . 6 1 1 A 52 52 GLN H H 52 9.110 8.283 0.827 1
1 670 . 6 1 1 A 52 52 GLN HA H 52 4.590 4.613 -0.023 1
1 677 . 6 1 1 A 52 52 GLN C C 52 175.000 174.979 0.021 1
1 678 . 6 1 1 A 52 52 GLN CA C 52 56.800 55.625 1.175 1
1 679 . 6 1 1 A 52 52 GLN CB C 52 29.200 29.194 0.006 1
1 682 . 6 1 1 A 52 52 GLN N N 52 122.700 123.049 -0.349 1
1 684 . 6 1 1 A 53 53 THR H H 53 9.110 8.634 0.476 1
1 685 . 6 1 1 A 53 53 THR HA H 53 4.730 4.780 -0.050 1
1 690 . 6 1 1 A 53 53 THR C C 53 172.500 174.353 -1.853 1
1 691 . 6 1 1 A 53 53 THR CA C 53 60.500 62.059 -1.559 1
1 692 . 6 1 1 A 53 53 THR CB C 53 69.800 70.337 -0.537 1
1 694 . 6 1 1 A 53 53 THR N N 53 121.500 121.459 0.041 1
1 695 . 6 1 1 A 54 54 ASN H H 54 8.210 8.629 -0.419 1
1 696 . 6 1 1 A 54 54 ASN HA H 54 5.400 5.247 0.153 1
1 701 . 6 1 1 A 54 54 ASN C C 54 172.900 174.016 -1.116 1
1 702 . 6 1 1 A 54 54 ASN CA C 54 52.400 52.721 -0.321 1
1 703 . 6 1 1 A 54 54 ASN CB C 54 40.900 39.784 1.116 1
1 705 . 6 1 1 A 54 54 ASN N N 54 125.400 123.912 1.488 1
1 707 . 6 1 1 A 55 55 THR H H 55 8.510 8.528 -0.018 1
1 708 . 6 1 1 A 55 55 THR HA H 55 5.120 4.909 0.211 1
1 713 . 6 1 1 A 55 55 THR C C 55 172.800 173.592 -0.792 1
1 714 . 6 1 1 A 55 55 THR CA C 55 61.400 62.432 -1.032 1
1 715 . 6 1 1 A 55 55 THR CB C 55 69.700 69.904 -0.204 1
1 717 . 6 1 1 A 55 55 THR N N 55 119.300 119.878 -0.578 1
1 718 . 6 1 1 A 56 56 TYR H H 56 8.460 9.067 -0.607 1
1 719 . 6 1 1 A 56 56 TYR HA H 56 5.260 5.515 -0.255 1
1 726 . 6 1 1 A 56 56 TYR C C 56 173.400 174.237 -0.837 1
1 727 . 6 1 1 A 56 56 TYR CA C 56 57.500 56.075 1.425 1
1 728 . 6 1 1 A 56 56 TYR CB C 56 41.400 40.690 0.710 1
1 733 . 6 1 1 A 56 56 TYR N N 56 125.400 125.939 -0.539 1
1 734 . 6 1 1 A 57 57 TYR H H 57 8.450 9.295 -0.845 1
1 735 . 6 1 1 A 57 57 TYR HA H 57 4.530 5.373 -0.843 1
1 742 . 6 1 1 A 57 57 TYR C C 57 172.400 175.067 -2.667 1
1 743 . 6 1 1 A 57 57 TYR CA C 57 56.600 56.104 0.496 1
1 744 . 6 1 1 A 57 57 TYR CB C 57 41.700 41.234 0.466 1
1 749 . 6 1 1 A 57 57 TYR N N 57 113.900 122.748 -8.848 1
1 750 . 6 1 1 A 58 58 SER H H 58 7.100 8.683 -1.583 1
1 751 . 6 1 1 A 58 58 SER HA H 58 4.750 4.850 -0.100 1
1 754 . 6 1 1 A 58 58 SER C C 58 173.800 173.718 0.082 1
1 755 . 6 1 1 A 58 58 SER CA C 58 56.600 57.620 -1.020 1
1 756 . 6 1 1 A 58 58 SER CB C 58 65.600 66.781 -1.181 1
1 757 . 6 1 1 A 58 58 SER N N 58 114.200 118.828 -4.628 1
1 758 . 6 1 1 A 59 59 ASP H H 59 9.140 9.007 0.133 1
1 759 . 6 1 1 A 59 59 ASP HA H 59 4.550 4.454 0.096 1
1 762 . 6 1 1 A 59 59 ASP C C 59 179.000 178.405 0.595 1
1 763 . 6 1 1 A 59 59 ASP CA C 59 58.500 58.067 0.433 1
1 764 . 6 1 1 A 59 59 ASP CB C 59 40.400 40.237 0.163 1
1 765 . 6 1 1 A 59 59 ASP N N 59 121.800 124.793 -2.993 1
1 766 . 6 1 1 A 60 60 THR H H 60 9.060 7.767 1.293 1
1 767 . 6 1 1 A 60 60 THR HA H 60 4.000 3.940 0.060 1
1 772 . 6 1 1 A 60 60 THR C C 60 178.000 176.817 1.183 1
1 773 . 6 1 1 A 60 60 THR CA C 60 67.300 65.577 1.723 1
1 774 . 6 1 1 A 60 60 THR CB C 60 67.300 68.495 -1.195 1
1 776 . 6 1 1 A 60 60 THR N N 60 114.800 115.266 -0.466 1
1 777 . 6 1 1 A 61 61 LEU H H 61 7.950 8.002 -0.052 1
1 778 . 6 1 1 A 61 61 LEU HA H 61 3.610 3.774 -0.164 1
1 788 . 6 1 1 A 61 61 LEU C C 61 178.900 178.967 -0.067 1
1 789 . 6 1 1 A 61 61 LEU CA C 61 58.600 57.670 0.930 1
1 790 . 6 1 1 A 61 61 LEU CB C 61 39.500 41.637 -2.137 1
1 794 . 6 1 1 A 61 61 LEU N N 61 126.100 121.577 4.523 1
1 795 . 6 1 1 A 62 62 HIS H H 62 8.260 7.637 0.623 1
1 796 . 6 1 1 A 62 62 HIS HA H 62 4.470 4.160 0.310 1
1 800 . 6 1 1 A 62 62 HIS C C 62 178.900 177.494 1.406 1
1 801 . 6 1 1 A 62 62 HIS CA C 62 58.600 59.756 -1.156 1
1 802 . 6 1 1 A 62 62 HIS CB C 62 29.500 29.947 -0.447 1
1 804 . 6 1 1 A 62 62 HIS N N 62 116.000 117.159 -1.159 1
1 805 . 6 1 1 A 63 63 LYS H H 63 7.790 7.914 -0.124 1
1 806 . 6 1 1 A 63 63 LYS HA H 63 3.960 3.914 0.046 1
1 815 . 6 1 1 A 63 63 LYS C C 63 177.900 178.557 -0.657 1
1 816 . 6 1 1 A 63 63 LYS CA C 63 59.200 59.518 -0.318 1
1 817 . 6 1 1 A 63 63 LYS CB C 63 32.400 32.325 0.075 1
1 821 . 6 1 1 A 63 63 LYS N N 63 119.100 121.367 -2.267 1
1 822 . 6 1 1 A 64 64 SER H H 64 7.580 7.791 -0.211 1
1 823 . 6 1 1 A 64 64 SER HA H 64 4.260 4.485 -0.225 1
1 826 . 6 1 1 A 64 64 SER C C 64 172.100 173.114 -1.014 1
1 827 . 6 1 1 A 64 64 SER CA C 64 59.300 58.334 0.966 1
1 828 . 6 1 1 A 64 64 SER CB C 64 63.600 63.248 0.352 1
1 829 . 6 1 1 A 64 64 SER N N 64 112.470 113.244 -0.774 1
1 830 . 6 1 1 A 65 65 ASN H H 65 7.760 7.743 0.017 1
1 831 . 6 1 1 A 65 65 ASN HA H 65 3.870 4.152 -0.282 1
1 836 . 6 1 1 A 65 65 ASN C C 65 171.100 173.617 -2.517 1
1 837 . 6 1 1 A 65 65 ASN CA C 65 54.300 54.427 -0.127 1
1 838 . 6 1 1 A 65 65 ASN CB C 65 37.500 36.712 0.788 1
1 840 . 6 1 1 A 65 65 ASN N N 65 117.600 116.761 0.839 1
1 842 . 6 1 1 A 66 66 ILE H H 66 6.820 7.331 -0.511 1
1 843 . 6 1 1 A 66 66 ILE HA H 66 4.590 4.611 -0.021 1
1 853 . 6 1 1 A 66 66 ILE C C 66 174.000 174.040 -0.040 1
1 854 . 6 1 1 A 66 66 ILE CA C 66 58.200 60.075 -1.875 1
1 855 . 6 1 1 A 66 66 ILE CB C 66 40.200 39.899 0.301 1
1 859 . 6 1 1 A 66 66 ILE N N 66 113.900 118.368 -4.468 1
1 860 . 6 1 1 A 67 67 TYR H H 67 8.530 8.317 0.213 1
1 861 . 6 1 1 A 67 67 TYR HA H 67 5.050 5.215 -0.165 1
1 868 . 6 1 1 A 67 67 TYR CA C 67 54.000 54.851 -0.851 1
1 869 . 6 1 1 A 67 67 TYR CB C 67 39.400 39.179 0.221 1
1 874 . 6 1 1 A 67 67 TYR N N 67 120.200 125.955 -5.755 1
1 875 . 6 1 1 A 68 68 PRO HA H 68 5.120 5.135 -0.015 1
1 882 . 6 1 1 A 68 68 PRO C C 68 174.600 176.792 -2.192 1
1 883 . 6 1 1 A 68 68 PRO CA C 68 61.500 62.486 -0.986 1
1 884 . 6 1 1 A 68 68 PRO CB C 68 32.200 32.443 -0.243 1
1 887 . 6 1 1 A 69 69 PHE H H 69 8.870 8.435 0.435 1
1 888 . 6 1 1 A 69 69 PHE HA H 69 6.330 5.465 0.865 1
1 896 . 6 1 1 A 69 69 PHE C C 69 173.000 172.455 0.545 1
1 897 . 6 1 1 A 69 69 PHE CA C 69 56.300 56.131 0.169 1
1 898 . 6 1 1 A 69 69 PHE CB C 69 42.900 41.889 1.011 1
1 903 . 6 1 1 A 69 69 PHE N N 69 118.400 118.221 0.179 1
1 904 . 6 1 1 A 70 70 ILE H H 70 9.060 8.613 0.447 1
1 905 . 6 1 1 A 70 70 ILE HA H 70 4.840 4.781 0.059 1
1 915 . 6 1 1 A 70 70 ILE C C 70 175.700 174.776 0.924 1
1 916 . 6 1 1 A 70 70 ILE CA C 70 61.900 59.496 2.404 1
1 917 . 6 1 1 A 70 70 ILE CB C 70 43.000 41.808 1.192 1
1 921 . 6 1 1 A 70 70 ILE N N 70 117.700 121.000 -3.300 1
1 922 . 6 1 1 A 71 71 LEU H H 71 9.320 8.540 0.780 1
1 923 . 6 1 1 A 71 71 LEU HA H 71 5.720 5.036 0.684 1
1 933 . 6 1 1 A 71 71 LEU C C 71 175.600 175.452 0.148 1
1 934 . 6 1 1 A 71 71 LEU CA C 71 52.400 53.493 -1.093 1
1 935 . 6 1 1 A 71 71 LEU CB C 71 43.700 43.317 0.383 1
1 939 . 6 1 1 A 71 71 LEU N N 71 124.800 125.816 -1.016 1
1 940 . 6 1 1 A 72 72 TYR H H 72 9.250 9.145 0.105 1
1 941 . 6 1 1 A 72 72 TYR HA H 72 5.350 5.187 0.163 1
1 948 . 6 1 1 A 72 72 TYR C C 72 174.100 174.936 -0.836 1
1 949 . 6 1 1 A 72 72 TYR CA C 72 57.300 56.931 0.369 1
1 950 . 6 1 1 A 72 72 TYR CB C 72 44.500 43.067 1.433 1
1 955 . 6 1 1 A 72 72 TYR N N 72 120.700 122.548 -1.848 1
1 956 . 6 1 1 A 73 73 TYR H H 73 9.250 8.895 0.355 1
1 957 . 6 1 1 A 73 73 TYR HA H 73 5.110 5.047 0.063 1
1 964 . 6 1 1 A 73 73 TYR C C 73 174.500 175.204 -0.704 1
1 965 . 6 1 1 A 73 73 TYR CA C 73 56.500 57.591 -1.091 1
1 966 . 6 1 1 A 73 73 TYR CB C 73 40.400 41.662 -1.262 1
1 971 . 6 1 1 A 73 73 TYR N N 73 120.300 124.371 -4.071 1
1 972 . 6 1 1 A 74 74 GLN H H 74 9.310 8.739 0.571 1
1 973 . 6 1 1 A 74 74 GLN HA H 74 3.530 3.686 -0.156 1
1 980 . 6 1 1 A 74 74 GLN C C 74 175.400 174.616 0.784 1
1 981 . 6 1 1 A 74 74 GLN CA C 74 57.200 58.211 -1.011 1
1 982 . 6 1 1 A 74 74 GLN CB C 74 25.500 26.972 -1.472 1
1 985 . 6 1 1 A 74 74 GLN N N 74 126.000 125.125 0.875 1
1 987 . 6 1 1 A 75 75 LYS H H 75 8.530 8.491 0.039 1
1 988 . 6 1 1 A 75 75 LYS HA H 75 3.820 4.494 -0.674 1
1 997 . 6 1 1 A 75 75 LYS C C 75 175.500 174.364 1.136 1
1 998 . 6 1 1 A 75 75 LYS CA C 75 57.300 55.737 1.563 1
1 999 . 6 1 1 A 75 75 LYS CB C 75 30.900 32.553 -1.653 1
1 1003 . 6 1 1 A 75 75 LYS N N 75 113.600 117.255 -3.655 1
1 1004 . 6 1 1 A 76 76 GLN H H 76 8.550 8.171 0.379 1
1 1005 . 6 1 1 A 76 76 GLN HA H 76 4.470 4.653 -0.183 1
1 1012 . 6 1 1 A 76 76 GLN C C 76 175.400 174.199 1.201 1
1 1013 . 6 1 1 A 76 76 GLN CA C 76 54.700 55.708 -1.008 1
1 1014 . 6 1 1 A 76 76 GLN CB C 76 29.900 32.669 -2.769 1
1 1017 . 6 1 1 A 76 76 GLN N N 76 122.200 123.896 -1.696 1
1 1019 . 6 1 1 A 77 77 LEU H H 77 8.860 8.814 0.046 1
1 1020 . 6 1 1 A 77 77 LEU HA H 77 3.940 4.369 -0.429 1
1 1030 . 6 1 1 A 77 77 LEU C C 77 175.300 176.396 -1.096 1
1 1031 . 6 1 1 A 77 77 LEU CA C 77 56.800 56.597 0.203 1
1 1032 . 6 1 1 A 77 77 LEU CB C 77 41.800 42.431 -0.631 1
1 1036 . 6 1 1 A 77 77 LEU N N 77 128.900 127.158 1.742 1
1 1037 . 6 1 1 A 78 78 ILE H H 78 8.880 8.761 0.119 1
1 1038 . 6 1 1 A 78 78 ILE HA H 78 4.810 4.116 0.694 1
1 1048 . 6 1 1 A 78 78 ILE C C 78 174.600 175.894 -1.294 1
1 1049 . 6 1 1 A 78 78 ILE CA C 78 58.300 62.541 -4.241 1
1 1050 . 6 1 1 A 78 78 ILE CB C 78 38.270 38.623 -0.353 1
1 1054 . 6 1 1 A 78 78 ILE N N 78 126.900 127.254 -0.354 1
1 1055 . 6 1 1 A 79 79 ALA H H 79 7.940 7.403 0.537 1
1 1056 . 6 1 1 A 79 79 ALA HA H 79 5.390 4.699 0.691 1
1 1060 . 6 1 1 A 79 79 ALA C C 79 175.300 175.207 0.093 1
1 1061 . 6 1 1 A 79 79 ALA CA C 79 51.600 51.799 -0.199 1
1 1062 . 6 1 1 A 79 79 ALA CB C 79 24.000 22.304 1.696 1
1 1063 . 6 1 1 A 79 79 ALA N N 79 115.000 118.176 -3.176 1
1 1064 . 6 1 1 A 80 80 ILE H H 80 8.580 8.626 -0.046 1
1 1065 . 6 1 1 A 80 80 ILE HA H 80 4.840 4.896 -0.056 1
1 1075 . 6 1 1 A 80 80 ILE C C 80 175.000 175.125 -0.125 1
1 1076 . 6 1 1 A 80 80 ILE CA C 80 60.300 59.748 0.552 1
1 1077 . 6 1 1 A 80 80 ILE CB C 80 42.800 41.063 1.737 1
1 1081 . 6 1 1 A 80 80 ILE N N 80 117.900 119.486 -1.586 1
1 1082 . 6 1 1 A 81 81 GLY H H 81 8.200 7.919 0.281 1
1 1083 . 6 1 1 A 81 81 GLY HA2 H 81 3.750 3.885 -0.135 1
1 1084 . 6 1 1 A 81 81 GLY HA3 H 81 4.070 3.895 0.175 1
1 1085 . 6 1 1 A 81 81 GLY C C 81 169.100 171.718 -2.618 1
1 1086 . 6 1 1 A 81 81 GLY CA C 81 46.600 43.970 2.630 1
1 1087 . 6 1 1 A 81 81 GLY N N 81 116.400 114.372 2.028 1
1 1088 . 6 1 1 A 82 82 PHE H H 82 8.210 7.930 0.280 1
1 1089 . 6 1 1 A 82 82 PHE HA H 82 5.340 5.454 -0.114 1
1 1094 . 6 1 1 A 82 82 PHE C C 82 172.400 172.643 -0.243 1
1 1095 . 6 1 1 A 82 82 PHE CA C 82 56.300 55.640 0.660 1
1 1096 . 6 1 1 A 82 82 PHE CB C 82 40.100 42.679 -2.579 1
1 1099 . 6 1 1 A 82 82 PHE N N 82 114.500 116.733 -2.233 1
1 1100 . 6 1 1 A 83 83 ILE H H 83 8.490 9.319 -0.829 1
1 1101 . 6 1 1 A 83 83 ILE HA H 83 4.740 4.815 -0.075 1
1 1111 . 6 1 1 A 83 83 ILE C C 83 175.200 175.817 -0.617 1
1 1112 . 6 1 1 A 83 83 ILE CA C 83 60.400 60.357 0.043 1
1 1113 . 6 1 1 A 83 83 ILE CB C 83 39.500 39.267 0.233 1
1 1117 . 6 1 1 A 83 83 ILE N N 83 123.400 121.638 1.762 1
1 1118 . 6 1 1 A 84 84 ASP H H 84 8.550 8.770 -0.220 1
1 1119 . 6 1 1 A 84 84 ASP HA H 84 5.170 4.977 0.193 1
1 1122 . 6 1 1 A 84 84 ASP C C 84 178.600 176.454 2.146 1
1 1123 . 6 1 1 A 84 84 ASP CA C 84 52.200 52.678 -0.478 1
1 1124 . 6 1 1 A 84 84 ASP CB C 84 42.400 41.392 1.008 1
1 1125 . 6 1 1 A 84 84 ASP N N 84 126.900 127.664 -0.764 1
1 1126 . 6 1 1 A 85 85 GLU H H 85 9.250 9.036 0.214 1
1 1127 . 6 1 1 A 85 85 GLU HA H 85 4.350 4.094 0.256 1
1 1132 . 6 1 1 A 85 85 GLU C C 85 176.800 177.541 -0.741 1
1 1133 . 6 1 1 A 85 85 GLU CA C 85 58.400 59.428 -1.028 1
1 1134 . 6 1 1 A 85 85 GLU CB C 85 28.700 29.377 -0.677 1
1 1136 . 6 1 1 A 85 85 GLU N N 85 118.000 119.824 -1.824 1
1 1137 . 6 1 1 A 86 86 ASN H H 86 8.280 7.950 0.330 1
1 1138 . 6 1 1 A 86 86 ASN HA H 86 4.760 4.734 0.026 1
1 1143 . 6 1 1 A 86 86 ASN C C 86 174.600 175.266 -0.666 1
1 1144 . 6 1 1 A 86 86 ASN CA C 86 52.800 52.045 0.755 1
1 1145 . 6 1 1 A 86 86 ASN CB C 86 38.900 37.236 1.664 1
1 1147 . 6 1 1 A 86 86 ASN N N 86 118.300 113.884 4.416 1
1 1149 . 6 1 1 A 87 87 HIS H H 87 8.570 7.909 0.661 1
1 1150 . 6 1 1 A 87 87 HIS HA H 87 3.940 4.315 -0.375 1
1 1154 . 6 1 1 A 87 87 HIS C C 87 173.600 174.166 -0.566 1
1 1155 . 6 1 1 A 87 87 HIS CA C 87 57.000 56.676 0.324 1
1 1156 . 6 1 1 A 87 87 HIS CB C 87 26.700 27.224 -0.524 1
1 1158 . 6 1 1 A 87 87 HIS N N 87 114.000 116.928 -2.928 1
1 1159 . 6 1 1 A 88 88 ASP H H 88 8.210 7.656 0.554 1
1 1160 . 6 1 1 A 88 88 ASP HA H 88 4.840 4.790 0.050 1
1 1163 . 6 1 1 A 88 88 ASP C C 88 174.800 174.669 0.131 1
1 1164 . 6 1 1 A 88 88 ASP CA C 88 53.900 53.504 0.396 1
1 1165 . 6 1 1 A 88 88 ASP CB C 88 41.500 42.519 -1.019 1
1 1166 . 6 1 1 A 88 88 ASP N N 88 120.300 123.316 -3.016 1
1 1167 . 6 1 1 A 89 89 MET H H 89 8.550 8.598 -0.048 1
1 1168 . 6 1 1 A 89 89 MET HA H 89 4.450 4.311 0.139 1
1 1176 . 6 1 1 A 89 89 MET C C 89 173.400 174.891 -1.491 1
1 1177 . 6 1 1 A 89 89 MET CA C 89 55.800 54.071 1.729 1
1 1178 . 6 1 1 A 89 89 MET CB C 89 34.700 31.541 3.159 1
1 1181 . 6 1 1 A 89 89 MET N N 89 120.400 126.926 -6.526 1
1 1182 . 6 1 1 A 90 90 ASP H H 90 8.420 8.140 0.280 1
1 1183 . 6 1 1 A 90 90 ASP HA H 90 4.580 4.829 -0.249 1
1 1186 . 6 1 1 A 90 90 ASP C C 90 174.600 174.222 0.378 1
1 1187 . 6 1 1 A 90 90 ASP CA C 90 52.300 53.236 -0.936 1
1 1188 . 6 1 1 A 90 90 ASP CB C 90 41.800 41.260 0.540 1
1 1189 . 6 1 1 A 90 90 ASP N N 90 126.900 123.913 2.987 1
1 1190 . 6 1 1 A 91 91 PHE H H 91 8.350 8.786 -0.436 1
1 1191 . 6 1 1 A 91 91 PHE HA H 91 4.780 5.140 -0.360 1
1 1199 . 6 1 1 A 91 91 PHE C C 91 175.600 175.652 -0.052 1
1 1200 . 6 1 1 A 91 91 PHE CA C 91 58.200 56.479 1.721 1
1 1201 . 6 1 1 A 91 91 PHE CB C 91 41.400 39.883 1.517 1
1 1207 . 6 1 1 A 91 91 PHE N N 91 118.600 122.543 -3.943 1
1 1208 . 6 1 1 A 92 92 LEU H H 92 9.060 8.914 0.146 1
1 1209 . 6 1 1 A 92 92 LEU HA H 92 4.330 4.529 -0.199 1
1 1219 . 6 1 1 A 92 92 LEU C C 92 175.700 176.137 -0.437 1
1 1220 . 6 1 1 A 92 92 LEU CA C 92 55.200 55.134 0.066 1
1 1221 . 6 1 1 A 92 92 LEU CB C 92 43.500 42.381 1.119 1
1 1225 . 6 1 1 A 92 92 LEU N N 92 121.100 121.151 -0.051 1
1 1226 . 6 1 1 A 93 93 TYR H H 93 7.970 7.626 0.344 1
1 1227 . 6 1 1 A 93 93 TYR HA H 93 4.780 4.843 -0.063 1
1 1234 . 6 1 1 A 93 93 TYR C C 93 172.800 173.203 -0.403 1
1 1235 . 6 1 1 A 93 93 TYR CA C 93 57.600 57.511 0.089 1
1 1236 . 6 1 1 A 93 93 TYR CB C 93 42.500 41.346 1.154 1
1 1241 . 6 1 1 A 93 93 TYR N N 93 118.600 120.055 -1.455 1
1 1242 . 6 1 1 A 94 94 LEU H H 94 8.220 8.730 -0.510 1
1 1243 . 6 1 1 A 94 94 LEU HA H 94 5.060 5.021 0.039 1
1 1253 . 6 1 1 A 94 94 LEU C C 94 171.900 173.812 -1.912 1
1 1254 . 6 1 1 A 94 94 LEU CA C 94 55.100 53.469 1.631 1
1 1255 . 6 1 1 A 94 94 LEU CB C 94 44.800 45.147 -0.347 1
1 1259 . 6 1 1 A 94 94 LEU N N 94 128.600 130.792 -2.192 1
1 1260 . 6 1 1 A 95 95 HIS H H 95 9.720 8.774 0.946 1
1 1261 . 6 1 1 A 95 95 HIS HA H 95 4.570 5.100 -0.530 1
1 1266 . 6 1 1 A 95 95 HIS C C 95 173.100 173.055 0.045 1
1 1267 . 6 1 1 A 95 95 HIS CA C 95 55.500 53.665 1.835 1
1 1268 . 6 1 1 A 95 95 HIS CB C 95 35.900 33.044 2.856 1
1 1271 . 6 1 1 A 95 95 HIS N N 95 133.000 125.977 7.023 1
1 1272 . 6 1 1 A 96 96 ASN H H 96 7.670 9.106 -1.436 1
1 1273 . 6 1 1 A 96 96 ASN HA H 96 4.930 4.975 -0.045 1
1 1278 . 6 1 1 A 96 96 ASN C C 96 176.100 176.445 -0.345 1
1 1279 . 6 1 1 A 96 96 ASN CA C 96 51.000 52.575 -1.575 1
1 1280 . 6 1 1 A 96 96 ASN CB C 96 38.500 39.987 -1.487 1
1 1281 . 6 1 1 A 96 96 ASN N N 96 118.600 123.847 -5.247 1
1 1283 . 6 1 1 A 97 97 THR H H 97 10.580 8.776 1.804 1
1 1284 . 6 1 1 A 97 97 THR HA H 97 4.090 3.846 0.244 1
1 1289 . 6 1 1 A 97 97 THR C C 97 174.600 175.440 -0.840 1
1 1290 . 6 1 1 A 97 97 THR CA C 97 67.000 65.019 1.981 1
1 1291 . 6 1 1 A 97 97 THR CB C 97 68.300 68.260 0.040 1
1 1293 . 6 1 1 A 97 97 THR N N 97 116.300 117.742 -1.442 1
1 1294 . 6 1 1 A 98 98 VAL H H 98 8.440 7.590 0.850 1
1 1295 . 6 1 1 A 98 98 VAL HA H 98 4.180 4.066 0.114 1
1 1303 . 6 1 1 A 98 98 VAL C C 98 174.800 176.390 -1.590 1
1 1304 . 6 1 1 A 98 98 VAL CA C 98 64.400 64.038 0.362 1
1 1305 . 6 1 1 A 98 98 VAL CB C 98 33.100 32.097 1.003 1
1 1308 . 6 1 1 A 98 98 VAL N N 98 123.900 120.361 3.539 1
1 1309 . 6 1 1 A 99 99 MET H H 99 8.590 7.846 0.744 1
1 1310 . 6 1 1 A 99 99 MET HA H 99 4.720 4.937 -0.217 1
1 1318 . 6 1 1 A 99 99 MET CA C 99 52.400 52.451 -0.051 1
1 1319 . 6 1 1 A 99 99 MET CB C 99 34.100 34.846 -0.746 1
1 1322 . 6 1 1 A 99 99 MET N N 99 118.700 115.825 2.875 1
1 1323 . 6 1 1 A 100 100 PRO HA H 100 4.210 4.486 -0.276 1
1 1330 . 6 1 1 A 100 100 PRO C C 100 175.900 176.401 -0.501 1
1 1331 . 6 1 1 A 100 100 PRO CA C 100 62.100 63.130 -1.030 1
1 1332 . 6 1 1 A 100 100 PRO CB C 100 31.000 32.095 -1.095 1
1 1335 . 6 1 1 A 101 101 LEU H H 101 9.010 8.584 0.426 1
1 1336 . 6 1 1 A 101 101 LEU HA H 101 4.310 4.326 -0.016 1
1 1346 . 6 1 1 A 101 101 LEU C C 101 176.900 178.631 -1.731 1
1 1347 . 6 1 1 A 101 101 LEU CA C 101 55.000 56.369 -1.369 1
1 1348 . 6 1 1 A 101 101 LEU CB C 101 42.800 42.029 0.771 1
1 1352 . 6 1 1 A 101 101 LEU N N 101 124.000 121.410 2.590 1
1 1353 . 6 1 1 A 102 102 LEU H H 102 7.620 7.962 -0.342 1
1 1354 . 6 1 1 A 102 102 LEU HA H 102 4.360 4.130 0.230 1
1 1364 . 6 1 1 A 102 102 LEU C C 102 174.800 176.354 -1.554 1
1 1365 . 6 1 1 A 102 102 LEU CA C 102 54.900 57.779 -2.879 1
1 1366 . 6 1 1 A 102 102 LEU CB C 102 45.300 42.127 3.173 1
1 1370 . 6 1 1 A 102 102 LEU N N 102 119.000 120.203 -1.203 1
1 1371 . 6 1 1 A 103 103 ASP H H 103 9.120 7.924 1.196 1
1 1372 . 6 1 1 A 103 103 ASP HA H 103 5.100 3.921 1.179 1
1 1375 . 6 1 1 A 103 103 ASP C C 103 174.500 175.094 -0.594 1
1 1376 . 6 1 1 A 103 103 ASP CA C 103 54.900 54.568 0.332 1
1 1377 . 6 1 1 A 103 103 ASP CB C 103 41.000 38.098 2.902 1
1 1378 . 6 1 1 A 103 103 ASP N N 103 120.700 117.689 3.011 1
1 1379 . 6 1 1 A 104 104 GLN H H 104 8.990 8.307 0.683 1
1 1380 . 6 1 1 A 104 104 GLN HA H 104 4.710 4.663 0.047 1
1 1387 . 6 1 1 A 104 104 GLN C C 104 176.100 175.906 0.194 1
1 1388 . 6 1 1 A 104 104 GLN CA C 104 54.100 55.031 -0.931 1
1 1389 . 6 1 1 A 104 104 GLN CB C 104 28.500 29.741 -1.241 1
1 1392 . 6 1 1 A 104 104 GLN N N 104 125.400 119.085 6.315 1
1 1394 . 6 1 1 A 105 105 ARG H H 105 8.380 8.706 -0.326 1
1 1395 . 6 1 1 A 105 105 ARG HA H 105 3.510 3.858 -0.348 1
1 1402 . 6 1 1 A 105 105 ARG C C 105 177.500 177.891 -0.391 1
1 1403 . 6 1 1 A 105 105 ARG CA C 105 60.200 58.761 1.439 1
1 1404 . 6 1 1 A 105 105 ARG CB C 105 29.400 29.589 -0.189 1
1 1407 . 6 1 1 A 105 105 ARG N N 105 117.700 127.129 -9.429 1
1 1408 . 6 1 1 A 106 106 TYR H H 106 7.800 7.953 -0.153 1
1 1409 . 6 1 1 A 106 106 TYR HA H 106 4.360 4.368 -0.008 1
1 1416 . 6 1 1 A 106 106 TYR C C 106 176.800 178.247 -1.447 1
1 1417 . 6 1 1 A 106 106 TYR CA C 106 58.600 60.375 -1.775 1
1 1418 . 6 1 1 A 106 106 TYR CB C 106 36.000 38.307 -2.307 1
1 1423 . 6 1 1 A 106 106 TYR N N 106 118.100 119.614 -1.514 1
1 1424 . 6 1 1 A 107 107 LEU H H 107 7.170 8.111 -0.941 1
1 1425 . 6 1 1 A 107 107 LEU HA H 107 3.970 4.100 -0.130 1
1 1435 . 6 1 1 A 107 107 LEU C C 107 178.300 178.003 0.297 1
1 1436 . 6 1 1 A 107 107 LEU CA C 107 56.600 58.052 -1.452 1
1 1437 . 6 1 1 A 107 107 LEU CB C 107 41.800 41.670 0.130 1
1 1441 . 6 1 1 A 107 107 LEU N N 107 121.900 121.147 0.753 1
1 1442 . 6 1 1 A 108 108 LEU H H 108 7.680 7.614 0.066 1
1 1443 . 6 1 1 A 108 108 LEU HA H 108 4.070 3.498 0.572 1
1 1453 . 6 1 1 A 108 108 LEU C C 108 177.500 178.468 -0.968 1
1 1454 . 6 1 1 A 108 108 LEU CA C 108 55.400 57.874 -2.474 1
1 1455 . 6 1 1 A 108 108 LEU CB C 108 41.500 41.610 -0.110 1
1 1459 . 6 1 1 A 108 108 LEU N N 108 115.400 119.630 -4.230 1
1 1460 . 6 1 1 A 109 109 THR H H 109 7.510 7.878 -0.368 1
1 1461 . 6 1 1 A 109 109 THR HA H 109 4.310 4.545 -0.235 1
1 1466 . 6 1 1 A 109 109 THR C C 109 175.300 174.805 0.495 1
1 1467 . 6 1 1 A 109 109 THR CA C 109 61.600 61.728 -0.128 1
1 1468 . 6 1 1 A 109 109 THR CB C 109 69.500 69.461 0.039 1
1 1470 . 6 1 1 A 109 109 THR N N 109 108.800 106.808 1.992 1
1 1471 . 6 1 1 A 110 110 GLY H H 110 8.010 7.785 0.225 1
1 1472 . 6 1 1 A 110 110 GLY HA2 H 110 3.950 4.197 -0.247 1
1 1473 . 6 1 1 A 110 110 GLY HA3 H 110 4.030 4.265 -0.235 1
1 1474 . 6 1 1 A 110 110 GLY C C 110 174.500 174.057 0.443 1
1 1475 . 6 1 1 A 110 110 GLY CA C 110 45.400 44.471 0.929 1
1 1476 . 6 1 1 A 110 110 GLY N N 110 110.100 110.747 -0.647 1
1 1477 . 6 1 1 A 111 111 GLY H H 111 8.310 8.629 -0.319 1
1 1478 . 6 1 1 A 111 111 GLY HA2 H 111 3.930 4.084 -0.154 1
1 1479 . 6 1 1 A 111 111 GLY HA3 H 111 3.930 4.126 -0.196 1
1 1480 . 6 1 1 A 111 111 GLY C C 111 173.700 175.496 -1.796 1
1 1481 . 6 1 1 A 111 111 GLY CA C 111 45.400 45.831 -0.431 1
1 1482 . 6 1 1 A 111 111 GLY N N 111 108.300 108.690 -0.390 1
1 1483 . 6 1 1 A 112 112 GLN H H 112 8.280 8.717 -0.437 1
1 1484 . 6 1 1 A 112 112 GLN HA H 112 4.270 4.453 -0.183 1
1 1491 . 6 1 1 A 112 112 GLN C C 112 175.700 175.525 0.175 1
1 1492 . 6 1 1 A 112 112 GLN CA C 112 55.600 55.162 0.438 1
1 1493 . 6 1 1 A 112 112 GLN CB C 112 29.200 28.088 1.112 1
1 1496 . 6 1 1 A 112 112 GLN N N 112 119.200 122.230 -3.030 1
1 1498 . 6 1 1 A 113 113 LEU H H 113 8.260 7.977 0.283 1
1 1499 . 6 1 1 A 113 113 LEU HA H 113 4.180 3.777 0.403 1
1 1509 . 6 1 1 A 113 113 LEU C C 113 177.000 175.378 1.622 1
1 1510 . 6 1 1 A 113 113 LEU CA C 113 55.100 56.151 -1.051 1
1 1511 . 6 1 1 A 113 113 LEU CB C 113 42.100 39.949 2.151 1
1 1515 . 6 1 1 A 113 113 LEU N N 113 122.800 116.575 6.225 1
1 1516 . 6 1 1 A 114 114 GLU H H 114 8.290 7.812 0.478 1
1 1517 . 6 1 1 A 114 114 GLU HA H 114 4.140 4.464 -0.324 1
1 1522 . 6 1 1 A 114 114 GLU CA C 114 56.300 56.555 -0.255 1
1 1523 . 6 1 1 A 114 114 GLU CB C 114 30.200 31.058 -0.858 1
1 1 . 7 1 1 A 2 2 THR HA H 2 4.300 4.673 -0.373 1
1 6 . 7 1 1 A 2 2 THR C C 2 174.800 174.731 0.069 1
1 7 . 7 1 1 A 2 2 THR CA C 2 61.100 60.776 0.324 1
1 8 . 7 1 1 A 2 2 THR CB C 2 70.400 69.847 0.553 1
1 10 . 7 1 1 A 3 3 LEU H H 3 8.760 8.730 0.030 1
1 11 . 7 1 1 A 3 3 LEU HA H 3 4.110 3.981 0.129 1
1 21 . 7 1 1 A 3 3 LEU C C 3 178.300 178.176 0.124 1
1 22 . 7 1 1 A 3 3 LEU CA C 3 57.800 58.409 -0.609 1
1 23 . 7 1 1 A 3 3 LEU CB C 3 41.600 40.850 0.750 1
1 27 . 7 1 1 A 3 3 LEU N N 3 123.600 126.517 -2.917 1
1 28 . 7 1 1 A 4 4 GLU H H 4 8.740 8.182 0.558 1
1 29 . 7 1 1 A 4 4 GLU HA H 4 3.670 4.058 -0.388 1
1 34 . 7 1 1 A 4 4 GLU C C 4 177.900 178.855 -0.955 1
1 35 . 7 1 1 A 4 4 GLU CA C 4 60.000 58.960 1.040 1
1 36 . 7 1 1 A 4 4 GLU CB C 4 29.200 29.294 -0.094 1
1 38 . 7 1 1 A 4 4 GLU N N 4 116.500 117.729 -1.229 1
1 39 . 7 1 1 A 5 5 LEU H H 5 7.340 8.112 -0.772 1
1 40 . 7 1 1 A 5 5 LEU HA H 5 3.900 4.035 -0.135 1
1 50 . 7 1 1 A 5 5 LEU C C 5 178.900 178.846 0.054 1
1 51 . 7 1 1 A 5 5 LEU CA C 5 56.900 57.684 -0.784 1
1 52 . 7 1 1 A 5 5 LEU CB C 5 41.200 41.621 -0.421 1
1 56 . 7 1 1 A 5 5 LEU N N 5 120.500 122.763 -2.263 1
1 57 . 7 1 1 A 6 6 GLN H H 6 8.350 7.683 0.667 1
1 58 . 7 1 1 A 6 6 GLN HA H 6 3.970 4.119 -0.149 1
1 63 . 7 1 1 A 6 6 GLN C C 6 179.700 178.519 1.181 1
1 64 . 7 1 1 A 6 6 GLN CA C 6 59.100 58.619 0.481 1
1 65 . 7 1 1 A 6 6 GLN CB C 6 29.100 28.114 0.986 1
1 67 . 7 1 1 A 6 6 GLN N N 6 120.800 118.348 2.452 1
1 68 . 7 1 1 A 7 7 LEU H H 7 8.620 7.713 0.907 1
1 69 . 7 1 1 A 7 7 LEU HA H 7 4.010 4.066 -0.056 1
1 79 . 7 1 1 A 7 7 LEU C C 7 176.900 178.808 -1.908 1
1 80 . 7 1 1 A 7 7 LEU CA C 7 57.800 57.661 0.139 1
1 81 . 7 1 1 A 7 7 LEU CB C 7 41.700 41.564 0.136 1
1 85 . 7 1 1 A 7 7 LEU N N 7 121.000 121.393 -0.393 1
1 86 . 7 1 1 A 8 8 LYS H H 8 7.750 7.839 -0.089 1
1 87 . 7 1 1 A 8 8 LYS HA H 8 3.570 4.225 -0.655 1
1 96 . 7 1 1 A 8 8 LYS C C 8 179.400 178.869 0.531 1
1 97 . 7 1 1 A 8 8 LYS CA C 8 59.000 58.855 0.145 1
1 98 . 7 1 1 A 8 8 LYS CB C 8 32.400 31.995 0.405 1
1 102 . 7 1 1 A 8 8 LYS N N 8 119.700 119.120 0.580 1
1 103 . 7 1 1 A 9 9 HIS H H 9 8.520 8.162 0.358 1
1 104 . 7 1 1 A 9 9 HIS HA H 9 4.050 4.575 -0.525 1
1 107 . 7 1 1 A 9 9 HIS C C 9 176.500 176.845 -0.345 1
1 108 . 7 1 1 A 9 9 HIS CA C 9 59.400 59.077 0.323 1
1 109 . 7 1 1 A 9 9 HIS CB C 9 29.900 29.648 0.252 1
1 110 . 7 1 1 A 9 9 HIS N N 9 120.500 120.237 0.263 1
1 111 . 7 1 1 A 10 10 TYR H H 10 7.990 8.405 -0.415 1
1 112 . 7 1 1 A 10 10 TYR HA H 10 4.160 3.959 0.201 1
1 119 . 7 1 1 A 10 10 TYR C C 10 177.400 177.114 0.286 1
1 120 . 7 1 1 A 10 10 TYR CA C 10 61.800 61.342 0.458 1
1 121 . 7 1 1 A 10 10 TYR CB C 10 39.500 38.715 0.785 1
1 126 . 7 1 1 A 10 10 TYR N N 10 119.200 120.138 -0.938 1
1 127 . 7 1 1 A 11 11 ILE H H 11 8.710 8.334 0.376 1
1 128 . 7 1 1 A 11 11 ILE HA H 11 3.540 3.896 -0.356 1
1 138 . 7 1 1 A 11 11 ILE CA C 11 61.600 63.496 -1.896 1
1 139 . 7 1 1 A 11 11 ILE CB C 11 36.200 37.965 -1.765 1
1 143 . 7 1 1 A 11 11 ILE N N 11 118.900 119.938 -1.038 1
1 144 . 7 1 1 A 12 12 THR HA H 12 3.840 4.112 -0.272 1
1 149 . 7 1 1 A 12 12 THR C C 12 176.900 177.536 -0.636 1
1 150 . 7 1 1 A 12 12 THR CA C 12 66.400 66.026 0.374 1
1 151 . 7 1 1 A 12 12 THR CB C 12 68.300 68.477 -0.177 1
1 153 . 7 1 1 A 13 13 ASN H H 13 7.440 7.961 -0.521 1
1 154 . 7 1 1 A 13 13 ASN HA H 13 4.420 4.401 0.019 1
1 159 . 7 1 1 A 13 13 ASN C C 13 176.700 177.826 -1.126 1
1 160 . 7 1 1 A 13 13 ASN CA C 13 55.900 56.056 -0.156 1
1 161 . 7 1 1 A 13 13 ASN CB C 13 38.600 37.806 0.794 1
1 163 . 7 1 1 A 13 13 ASN N N 13 118.300 121.356 -3.056 1
1 165 . 7 1 1 A 14 14 LEU H H 14 7.890 7.411 0.479 1
1 166 . 7 1 1 A 14 14 LEU HA H 14 3.660 3.755 -0.095 1
1 176 . 7 1 1 A 14 14 LEU C C 14 177.900 177.911 -0.011 1
1 177 . 7 1 1 A 14 14 LEU CA C 14 57.600 57.598 0.002 1
1 178 . 7 1 1 A 14 14 LEU CB C 14 42.600 41.182 1.418 1
1 182 . 7 1 1 A 14 14 LEU N N 14 122.100 121.714 0.386 1
1 183 . 7 1 1 A 15 15 PHE H H 15 7.670 7.894 -0.224 1
1 184 . 7 1 1 A 15 15 PHE HA H 15 4.490 4.553 -0.063 1
1 191 . 7 1 1 A 15 15 PHE C C 15 173.800 174.647 -0.847 1
1 192 . 7 1 1 A 15 15 PHE CA C 15 57.900 57.143 0.757 1
1 193 . 7 1 1 A 15 15 PHE CB C 15 38.900 39.591 -0.691 1
1 198 . 7 1 1 A 15 15 PHE N N 15 111.800 114.189 -2.389 1
1 199 . 7 1 1 A 16 16 ASN H H 16 7.450 8.176 -0.726 1
1 200 . 7 1 1 A 16 16 ASN HA H 16 4.420 4.245 0.175 1
1 205 . 7 1 1 A 16 16 ASN C C 16 174.200 174.383 -0.183 1
1 206 . 7 1 1 A 16 16 ASN CA C 16 54.100 54.486 -0.386 1
1 207 . 7 1 1 A 16 16 ASN CB C 16 36.500 36.825 -0.325 1
1 209 . 7 1 1 A 16 16 ASN N N 16 118.500 114.480 4.020 1
1 211 . 7 1 1 A 17 17 LEU H H 17 8.410 8.040 0.370 1
1 212 . 7 1 1 A 17 17 LEU HA H 17 4.630 4.459 0.171 1
1 222 . 7 1 1 A 17 17 LEU CA C 17 52.300 53.395 -1.095 1
1 223 . 7 1 1 A 17 17 LEU CB C 17 41.000 41.284 -0.284 1
1 227 . 7 1 1 A 17 17 LEU N N 17 118.700 119.775 -1.075 1
1 228 . 7 1 1 A 18 18 PRO HA H 18 4.380 4.515 -0.135 1
1 235 . 7 1 1 A 18 18 PRO C C 18 178.600 177.357 1.243 1
1 236 . 7 1 1 A 18 18 PRO CA C 18 63.100 63.536 -0.436 1
1 237 . 7 1 1 A 18 18 PRO CB C 18 31.800 32.425 -0.625 1
1 240 . 7 1 1 A 19 19 ARG H H 19 8.650 8.796 -0.146 1
1 241 . 7 1 1 A 19 19 ARG HA H 19 3.820 4.342 -0.522 1
1 248 . 7 1 1 A 19 19 ARG C C 19 176.500 176.778 -0.278 1
1 249 . 7 1 1 A 19 19 ARG CA C 19 58.100 57.405 0.695 1
1 250 . 7 1 1 A 19 19 ARG CB C 19 30.300 30.905 -0.605 1
1 253 . 7 1 1 A 19 19 ARG N N 19 124.600 122.482 2.118 1
1 254 . 7 1 1 A 20 20 ASP H H 20 8.390 7.947 0.443 1
1 255 . 7 1 1 A 20 20 ASP HA H 20 4.550 4.661 -0.111 1
1 258 . 7 1 1 A 20 20 ASP C C 20 175.700 175.843 -0.143 1
1 259 . 7 1 1 A 20 20 ASP CA C 20 53.000 54.911 -1.911 1
1 260 . 7 1 1 A 20 20 ASP CB C 20 40.400 40.996 -0.596 1
1 261 . 7 1 1 A 20 20 ASP N N 20 114.300 117.436 -3.136 1
1 262 . 7 1 1 A 21 21 GLU H H 21 6.780 7.765 -0.985 1
1 263 . 7 1 1 A 21 21 GLU HA H 21 4.150 4.522 -0.372 1
1 268 . 7 1 1 A 21 21 GLU C C 21 175.400 175.602 -0.202 1
1 269 . 7 1 1 A 21 21 GLU CA C 21 56.200 56.046 0.154 1
1 270 . 7 1 1 A 21 21 GLU CB C 21 31.600 30.224 1.376 1
1 272 . 7 1 1 A 21 21 GLU N N 21 121.600 119.869 1.731 1
1 273 . 7 1 1 A 22 22 LYS H H 22 8.860 8.683 0.177 1
1 274 . 7 1 1 A 22 22 LYS HA H 22 4.160 4.321 -0.161 1
1 283 . 7 1 1 A 22 22 LYS C C 22 176.100 175.951 0.149 1
1 284 . 7 1 1 A 22 22 LYS CA C 22 57.200 56.096 1.104 1
1 285 . 7 1 1 A 22 22 LYS CB C 22 33.000 33.415 -0.415 1
1 289 . 7 1 1 A 22 22 LYS N N 22 128.900 126.215 2.685 1
1 290 . 7 1 1 A 23 23 TRP H H 23 8.750 8.602 0.148 1
1 291 . 7 1 1 A 23 23 TRP HA H 23 5.400 5.017 0.383 1
1 300 . 7 1 1 A 23 23 TRP C C 23 176.500 175.698 0.802 1
1 301 . 7 1 1 A 23 23 TRP CA C 23 54.600 56.722 -2.122 1
1 302 . 7 1 1 A 23 23 TRP CB C 23 31.100 32.996 -1.896 1
1 308 . 7 1 1 A 23 23 TRP N N 23 126.100 126.196 -0.096 1
1 310 . 7 1 1 A 24 24 GLU H H 24 9.040 8.255 0.785 1
1 311 . 7 1 1 A 24 24 GLU HA H 24 4.590 4.787 -0.197 1
1 316 . 7 1 1 A 24 24 GLU C C 24 174.100 176.015 -1.915 1
1 317 . 7 1 1 A 24 24 GLU CA C 24 54.200 55.072 -0.872 1
1 318 . 7 1 1 A 24 24 GLU CB C 24 31.600 31.277 0.323 1
1 320 . 7 1 1 A 24 24 GLU N N 24 122.700 120.099 2.601 1
1 321 . 7 1 1 A 25 25 CYS H H 25 8.740 8.780 -0.040 1
1 322 . 7 1 1 A 25 25 CYS HA H 25 4.870 4.224 0.646 1
1 325 . 7 1 1 A 25 25 CYS C C 25 174.400 174.248 0.152 1
1 326 . 7 1 1 A 25 25 CYS CA C 25 57.200 58.721 -1.521 1
1 327 . 7 1 1 A 25 25 CYS CB C 25 30.200 28.182 2.018 1
1 328 . 7 1 1 A 25 25 CYS N N 25 119.900 124.976 -5.076 1
1 329 . 7 1 1 A 26 26 GLU H H 26 9.220 8.485 0.735 1
1 330 . 7 1 1 A 26 26 GLU HA H 26 4.740 4.960 -0.220 1
1 335 . 7 1 1 A 26 26 GLU C C 26 175.000 174.769 0.231 1
1 336 . 7 1 1 A 26 26 GLU CA C 26 55.100 54.929 0.171 1
1 337 . 7 1 1 A 26 26 GLU CB C 26 31.700 32.462 -0.762 1
1 339 . 7 1 1 A 26 26 GLU N N 26 131.200 124.663 6.537 1
1 340 . 7 1 1 A 27 27 SER H H 27 8.900 8.821 0.079 1
1 341 . 7 1 1 A 27 27 SER HA H 27 5.750 4.924 0.826 1
1 344 . 7 1 1 A 27 27 SER C C 27 173.600 173.727 -0.127 1
1 345 . 7 1 1 A 27 27 SER CA C 27 56.700 56.840 -0.140 1
1 346 . 7 1 1 A 27 27 SER CB C 27 64.200 63.978 0.222 1
1 347 . 7 1 1 A 27 27 SER N N 27 125.100 122.464 2.636 1
1 348 . 7 1 1 A 28 28 ILE H H 28 8.540 8.419 0.121 1
1 349 . 7 1 1 A 28 28 ILE HA H 28 4.680 4.834 -0.154 1
1 359 . 7 1 1 A 28 28 ILE C C 28 174.100 174.098 0.002 1
1 360 . 7 1 1 A 28 28 ILE CA C 28 59.800 59.400 0.400 1
1 361 . 7 1 1 A 28 28 ILE CB C 28 42.700 42.018 0.682 1
1 365 . 7 1 1 A 28 28 ILE N N 28 123.200 127.705 -4.505 1
1 366 . 7 1 1 A 29 29 GLU H H 29 8.430 8.520 -0.090 1
1 367 . 7 1 1 A 29 29 GLU HA H 29 5.430 4.815 0.615 1
1 372 . 7 1 1 A 29 29 GLU C C 29 176.000 175.711 0.289 1
1 373 . 7 1 1 A 29 29 GLU CA C 29 55.600 56.386 -0.786 1
1 374 . 7 1 1 A 29 29 GLU CB C 29 31.200 30.280 0.920 1
1 376 . 7 1 1 A 29 29 GLU N N 29 123.900 128.199 -4.299 1
1 377 . 7 1 1 A 30 30 GLU H H 30 8.850 8.350 0.500 1
1 378 . 7 1 1 A 30 30 GLU HA H 30 4.730 4.659 0.071 1
1 383 . 7 1 1 A 30 30 GLU C C 30 174.300 174.883 -0.583 1
1 384 . 7 1 1 A 30 30 GLU CA C 30 54.700 55.451 -0.751 1
1 385 . 7 1 1 A 30 30 GLU CB C 30 34.400 34.015 0.385 1
1 387 . 7 1 1 A 30 30 GLU N N 30 121.900 123.740 -1.840 1
1 388 . 7 1 1 A 31 31 VAL H H 31 9.260 8.867 0.393 1
1 389 . 7 1 1 A 31 31 VAL HA H 31 4.250 4.082 0.168 1
1 397 . 7 1 1 A 31 31 VAL C C 31 177.700 176.608 1.092 1
1 398 . 7 1 1 A 31 31 VAL CA C 31 62.500 63.525 -1.025 1
1 399 . 7 1 1 A 31 31 VAL CB C 31 31.800 31.807 -0.007 1
1 402 . 7 1 1 A 31 31 VAL N N 31 124.500 126.371 -1.871 1
1 403 . 7 1 1 A 32 32 ALA H H 32 9.250 8.702 0.548 1
1 404 . 7 1 1 A 32 32 ALA HA H 32 3.710 4.014 -0.304 1
1 408 . 7 1 1 A 32 32 ALA C C 32 178.600 179.054 -0.454 1
1 409 . 7 1 1 A 32 32 ALA CA C 32 55.800 55.353 0.447 1
1 410 . 7 1 1 A 32 32 ALA CB C 32 19.400 18.270 1.130 1
1 411 . 7 1 1 A 32 32 ALA N N 32 129.900 128.405 1.495 1
1 412 . 7 1 1 A 33 33 ASP H H 33 9.510 8.270 1.240 1
1 413 . 7 1 1 A 33 33 ASP HA H 33 4.180 4.446 -0.266 1
1 416 . 7 1 1 A 33 33 ASP C C 33 176.300 176.714 -0.414 1
1 417 . 7 1 1 A 33 33 ASP CA C 33 54.600 56.113 -1.513 1
1 418 . 7 1 1 A 33 33 ASP CB C 33 39.200 40.796 -1.596 1
1 419 . 7 1 1 A 33 33 ASP N N 33 110.700 118.101 -7.401 1
1 420 . 7 1 1 A 34 34 ASP H H 34 7.830 7.958 -0.128 1
1 421 . 7 1 1 A 34 34 ASP HA H 34 4.650 4.580 0.070 1
1 424 . 7 1 1 A 34 34 ASP C C 34 176.300 177.368 -1.068 1
1 425 . 7 1 1 A 34 34 ASP CA C 34 55.100 55.510 -0.410 1
1 426 . 7 1 1 A 34 34 ASP CB C 34 41.000 41.201 -0.201 1
1 427 . 7 1 1 A 34 34 ASP N N 34 114.700 117.116 -2.416 1
1 428 . 7 1 1 A 35 35 ILE H H 35 7.290 7.502 -0.212 1
1 429 . 7 1 1 A 35 35 ILE HA H 35 4.490 4.451 0.039 1
1 439 . 7 1 1 A 35 35 ILE C C 35 174.100 175.622 -1.522 1
1 440 . 7 1 1 A 35 35 ILE CA C 35 60.700 61.179 -0.479 1
1 441 . 7 1 1 A 35 35 ILE CB C 35 40.600 39.911 0.689 1
1 445 . 7 1 1 A 35 35 ILE N N 35 113.400 111.297 2.103 1
1 446 . 7 1 1 A 36 36 LEU H H 36 7.730 8.417 -0.687 1
1 447 . 7 1 1 A 36 36 LEU HA H 36 4.800 4.713 0.087 1
1 457 . 7 1 1 A 36 36 LEU CA C 36 52.200 52.597 -0.397 1
1 458 . 7 1 1 A 36 36 LEU CB C 36 42.700 41.734 0.966 1
1 462 . 7 1 1 A 36 36 LEU N N 36 120.400 124.682 -4.282 1
1 463 . 7 1 1 A 37 37 PRO HA H 37 4.440 4.635 -0.195 1
1 470 . 7 1 1 A 37 37 PRO C C 37 177.100 177.160 -0.060 1
1 471 . 7 1 1 A 37 37 PRO CA C 37 63.100 62.984 0.116 1
1 472 . 7 1 1 A 37 37 PRO CB C 37 32.700 32.677 0.023 1
1 475 . 7 1 1 A 38 38 ASP H H 38 8.690 8.790 -0.100 1
1 476 . 7 1 1 A 38 38 ASP HA H 38 4.230 4.550 -0.320 1
1 479 . 7 1 1 A 38 38 ASP C C 38 177.800 178.753 -0.953 1
1 480 . 7 1 1 A 38 38 ASP CA C 38 57.900 56.892 1.008 1
1 481 . 7 1 1 A 38 38 ASP CB C 38 42.200 40.026 2.174 1
1 482 . 7 1 1 A 38 38 ASP N N 38 123.800 123.953 -0.153 1
1 483 . 7 1 1 A 39 39 GLN H H 39 9.080 8.199 0.881 1
1 484 . 7 1 1 A 39 39 GLN HA H 39 3.990 4.003 -0.013 1
1 491 . 7 1 1 A 39 39 GLN C C 39 176.400 177.183 -0.783 1
1 492 . 7 1 1 A 39 39 GLN CA C 39 58.000 58.507 -0.507 1
1 493 . 7 1 1 A 39 39 GLN CB C 39 27.300 27.997 -0.697 1
1 496 . 7 1 1 A 39 39 GLN N N 39 115.100 120.699 -5.599 1
1 498 . 7 1 1 A 40 40 TYR H H 40 7.510 7.657 -0.147 1
1 499 . 7 1 1 A 40 40 TYR HA H 40 4.730 4.542 0.188 1
1 506 . 7 1 1 A 40 40 TYR C C 40 174.200 175.539 -1.339 1
1 507 . 7 1 1 A 40 40 TYR CA C 40 57.000 58.193 -1.193 1
1 508 . 7 1 1 A 40 40 TYR CB C 40 39.400 39.270 0.130 1
1 513 . 7 1 1 A 40 40 TYR N N 40 116.800 117.201 -0.401 1
1 514 . 7 1 1 A 41 41 VAL H H 41 7.370 7.489 -0.119 1
1 515 . 7 1 1 A 41 41 VAL HA H 41 4.000 4.520 -0.520 1
1 523 . 7 1 1 A 41 41 VAL C C 41 175.400 174.627 0.773 1
1 524 . 7 1 1 A 41 41 VAL CA C 41 62.800 61.722 1.078 1
1 525 . 7 1 1 A 41 41 VAL CB C 41 34.300 33.515 0.785 1
1 528 . 7 1 1 A 41 41 VAL N N 41 116.100 119.709 -3.609 1
1 529 . 7 1 1 A 42 42 ARG H H 42 7.990 8.654 -0.664 1
1 530 . 7 1 1 A 42 42 ARG HA H 42 3.970 4.549 -0.579 1
1 537 . 7 1 1 A 42 42 ARG C C 42 176.600 177.555 -0.955 1
1 538 . 7 1 1 A 42 42 ARG CA C 42 58.500 57.445 1.055 1
1 539 . 7 1 1 A 42 42 ARG CB C 42 29.700 32.155 -2.455 1
1 542 . 7 1 1 A 42 42 ARG N N 42 120.900 127.444 -6.544 1
1 543 . 7 1 1 A 43 43 LEU H H 43 8.930 8.080 0.850 1
1 544 . 7 1 1 A 43 43 LEU HA H 43 4.060 4.306 -0.246 1
1 554 . 7 1 1 A 43 43 LEU C C 43 176.200 177.615 -1.415 1
1 555 . 7 1 1 A 43 43 LEU CA C 43 56.100 56.921 -0.821 1
1 556 . 7 1 1 A 43 43 LEU CB C 43 40.100 43.161 -3.061 1
1 560 . 7 1 1 A 43 43 LEU N N 43 119.500 120.247 -0.747 1
1 561 . 7 1 1 A 44 44 GLY H H 44 7.890 8.154 -0.264 1
1 562 . 7 1 1 A 44 44 GLY HA2 H 44 3.930 4.076 -0.146 1
1 563 . 7 1 1 A 44 44 GLY HA3 H 44 4.540 4.076 0.464 1
1 564 . 7 1 1 A 44 44 GLY CA C 44 44.900 44.510 0.390 1
1 565 . 7 1 1 A 44 44 GLY N N 44 107.000 107.073 -0.073 1
1 566 . 7 1 1 A 45 45 PRO HA H 45 4.360 4.320 0.040 1
1 573 . 7 1 1 A 45 45 PRO C C 45 176.900 178.339 -1.439 1
1 574 . 7 1 1 A 45 45 PRO CA C 45 64.400 65.105 -0.705 1
1 575 . 7 1 1 A 45 45 PRO CB C 45 31.900 31.609 0.291 1
1 578 . 7 1 1 A 46 46 LEU H H 46 8.660 7.609 1.051 1
1 579 . 7 1 1 A 46 46 LEU HA H 46 3.970 4.197 -0.227 1
1 589 . 7 1 1 A 46 46 LEU C C 46 176.300 177.862 -1.562 1
1 590 . 7 1 1 A 46 46 LEU CA C 46 55.900 55.713 0.187 1
1 591 . 7 1 1 A 46 46 LEU CB C 46 43.500 41.620 1.880 1
1 595 . 7 1 1 A 46 46 LEU N N 46 117.000 117.160 -0.160 1
1 596 . 7 1 1 A 47 47 SER H H 47 7.160 8.299 -1.139 1
1 597 . 7 1 1 A 47 47 SER HA H 47 4.080 4.240 -0.160 1
1 600 . 7 1 1 A 47 47 SER C C 47 176.600 176.187 0.413 1
1 601 . 7 1 1 A 47 47 SER CA C 47 59.100 61.378 -2.278 1
1 602 . 7 1 1 A 47 47 SER CB C 47 62.800 62.635 0.165 1
1 603 . 7 1 1 A 47 47 SER N N 47 110.300 115.622 -5.322 1
1 604 . 7 1 1 A 48 48 ASN H H 48 11.000 7.850 3.150 1
1 605 . 7 1 1 A 48 48 ASN HA H 48 4.090 4.901 -0.811 1
1 610 . 7 1 1 A 48 48 ASN C C 48 174.700 174.811 -0.111 1
1 611 . 7 1 1 A 48 48 ASN CA C 48 55.200 52.060 3.140 1
1 612 . 7 1 1 A 48 48 ASN CB C 48 38.300 38.761 -0.461 1
1 614 . 7 1 1 A 48 48 ASN N N 48 123.200 119.911 3.289 1
1 616 . 7 1 1 A 49 49 LYS H H 49 7.830 7.636 0.194 1
1 617 . 7 1 1 A 49 49 LYS HA H 49 4.360 4.211 0.149 1
1 626 . 7 1 1 A 49 49 LYS C C 49 175.100 176.159 -1.059 1
1 627 . 7 1 1 A 49 49 LYS CA C 49 56.100 56.403 -0.303 1
1 628 . 7 1 1 A 49 49 LYS CB C 49 33.200 32.958 0.242 1
1 632 . 7 1 1 A 49 49 LYS N N 49 119.400 121.061 -1.661 1
1 633 . 7 1 1 A 50 50 ILE H H 50 8.570 8.613 -0.043 1
1 634 . 7 1 1 A 50 50 ILE HA H 50 4.160 4.486 -0.326 1
1 644 . 7 1 1 A 50 50 ILE C C 50 175.000 175.326 -0.326 1
1 645 . 7 1 1 A 50 50 ILE CA C 50 61.200 60.065 1.135 1
1 646 . 7 1 1 A 50 50 ILE CB C 50 36.900 38.097 -1.197 1
1 650 . 7 1 1 A 50 50 ILE N N 50 123.000 125.994 -2.994 1
1 651 . 7 1 1 A 51 51 LEU H H 51 9.270 8.597 0.673 1
1 652 . 7 1 1 A 51 51 LEU HA H 51 5.170 5.091 0.079 1
1 662 . 7 1 1 A 51 51 LEU C C 51 176.300 175.926 0.374 1
1 663 . 7 1 1 A 51 51 LEU CA C 51 52.500 53.410 -0.910 1
1 664 . 7 1 1 A 51 51 LEU CB C 51 42.600 44.780 -2.180 1
1 668 . 7 1 1 A 51 51 LEU N N 51 127.000 128.935 -1.935 1
1 669 . 7 1 1 A 52 52 GLN H H 52 9.110 8.312 0.798 1
1 670 . 7 1 1 A 52 52 GLN HA H 52 4.590 4.633 -0.043 1
1 677 . 7 1 1 A 52 52 GLN C C 52 175.000 175.105 -0.105 1
1 678 . 7 1 1 A 52 52 GLN CA C 52 56.800 56.026 0.774 1
1 679 . 7 1 1 A 52 52 GLN CB C 52 29.200 29.130 0.070 1
1 682 . 7 1 1 A 52 52 GLN N N 52 122.700 121.945 0.755 1
1 684 . 7 1 1 A 53 53 THR H H 53 9.110 8.713 0.397 1
1 685 . 7 1 1 A 53 53 THR HA H 53 4.730 4.885 -0.155 1
1 690 . 7 1 1 A 53 53 THR C C 53 172.500 173.795 -1.295 1
1 691 . 7 1 1 A 53 53 THR CA C 53 60.500 62.340 -1.840 1
1 692 . 7 1 1 A 53 53 THR CB C 53 69.800 69.534 0.266 1
1 694 . 7 1 1 A 53 53 THR N N 53 121.500 122.166 -0.666 1
1 695 . 7 1 1 A 54 54 ASN H H 54 8.210 9.280 -1.070 1
1 696 . 7 1 1 A 54 54 ASN HA H 54 5.400 5.421 -0.021 1
1 701 . 7 1 1 A 54 54 ASN C C 54 172.900 174.193 -1.293 1
1 702 . 7 1 1 A 54 54 ASN CA C 54 52.400 52.475 -0.075 1
1 703 . 7 1 1 A 54 54 ASN CB C 54 40.900 38.856 2.044 1
1 705 . 7 1 1 A 54 54 ASN N N 54 125.400 125.949 -0.549 1
1 707 . 7 1 1 A 55 55 THR H H 55 8.510 8.640 -0.130 1
1 708 . 7 1 1 A 55 55 THR HA H 55 5.120 4.947 0.173 1
1 713 . 7 1 1 A 55 55 THR C C 55 172.800 174.112 -1.312 1
1 714 . 7 1 1 A 55 55 THR CA C 55 61.400 62.223 -0.823 1
1 715 . 7 1 1 A 55 55 THR CB C 55 69.700 69.638 0.062 1
1 717 . 7 1 1 A 55 55 THR N N 55 119.300 121.883 -2.583 1
1 718 . 7 1 1 A 56 56 TYR H H 56 8.460 9.336 -0.876 1
1 719 . 7 1 1 A 56 56 TYR HA H 56 5.260 5.528 -0.268 1
1 726 . 7 1 1 A 56 56 TYR C C 56 173.400 175.203 -1.803 1
1 727 . 7 1 1 A 56 56 TYR CA C 56 57.500 56.651 0.849 1
1 728 . 7 1 1 A 56 56 TYR CB C 56 41.400 40.142 1.258 1
1 733 . 7 1 1 A 56 56 TYR N N 56 125.400 126.731 -1.331 1
1 734 . 7 1 1 A 57 57 TYR H H 57 8.450 8.784 -0.334 1
1 735 . 7 1 1 A 57 57 TYR HA H 57 4.530 5.688 -1.158 1
1 742 . 7 1 1 A 57 57 TYR C C 57 172.400 173.419 -1.019 1
1 743 . 7 1 1 A 57 57 TYR CA C 57 56.600 55.594 1.006 1
1 744 . 7 1 1 A 57 57 TYR CB C 57 41.700 42.298 -0.598 1
1 749 . 7 1 1 A 57 57 TYR N N 57 113.900 120.071 -6.171 1
1 750 . 7 1 1 A 58 58 SER H H 58 7.100 8.759 -1.659 1
1 751 . 7 1 1 A 58 58 SER HA H 58 4.750 5.054 -0.304 1
1 754 . 7 1 1 A 58 58 SER C C 58 173.800 174.178 -0.378 1
1 755 . 7 1 1 A 58 58 SER CA C 58 56.600 55.987 0.613 1
1 756 . 7 1 1 A 58 58 SER CB C 58 65.600 65.689 -0.089 1
1 757 . 7 1 1 A 58 58 SER N N 58 114.200 115.950 -1.750 1
1 758 . 7 1 1 A 59 59 ASP H H 59 9.140 8.804 0.336 1
1 759 . 7 1 1 A 59 59 ASP HA H 59 4.550 4.281 0.269 1
1 762 . 7 1 1 A 59 59 ASP C C 59 179.000 177.771 1.229 1
1 763 . 7 1 1 A 59 59 ASP CA C 59 58.500 57.755 0.745 1
1 764 . 7 1 1 A 59 59 ASP CB C 59 40.400 40.902 -0.502 1
1 765 . 7 1 1 A 59 59 ASP N N 59 121.800 126.415 -4.615 1
1 766 . 7 1 1 A 60 60 THR H H 60 9.060 8.045 1.015 1
1 767 . 7 1 1 A 60 60 THR HA H 60 4.000 3.973 0.027 1
1 772 . 7 1 1 A 60 60 THR C C 60 178.000 176.399 1.601 1
1 773 . 7 1 1 A 60 60 THR CA C 60 67.300 67.467 -0.167 1
1 774 . 7 1 1 A 60 60 THR CB C 60 67.300 68.206 -0.906 1
1 776 . 7 1 1 A 60 60 THR N N 60 114.800 116.549 -1.749 1
1 777 . 7 1 1 A 61 61 LEU H H 61 7.950 8.030 -0.080 1
1 778 . 7 1 1 A 61 61 LEU HA H 61 3.610 3.682 -0.072 1
1 788 . 7 1 1 A 61 61 LEU C C 61 178.900 178.842 0.058 1
1 789 . 7 1 1 A 61 61 LEU CA C 61 58.600 57.577 1.023 1
1 790 . 7 1 1 A 61 61 LEU CB C 61 39.500 41.477 -1.977 1
1 794 . 7 1 1 A 61 61 LEU N N 61 126.100 120.696 5.404 1
1 795 . 7 1 1 A 62 62 HIS H H 62 8.260 8.727 -0.467 1
1 796 . 7 1 1 A 62 62 HIS HA H 62 4.470 3.859 0.611 1
1 800 . 7 1 1 A 62 62 HIS C C 62 178.900 177.182 1.718 1
1 801 . 7 1 1 A 62 62 HIS CA C 62 58.600 60.330 -1.730 1
1 802 . 7 1 1 A 62 62 HIS CB C 62 29.500 29.520 -0.020 1
1 804 . 7 1 1 A 62 62 HIS N N 62 116.000 118.001 -2.001 1
1 805 . 7 1 1 A 63 63 LYS H H 63 7.790 8.152 -0.362 1
1 806 . 7 1 1 A 63 63 LYS HA H 63 3.960 3.811 0.149 1
1 815 . 7 1 1 A 63 63 LYS C C 63 177.900 178.842 -0.942 1
1 816 . 7 1 1 A 63 63 LYS CA C 63 59.200 59.505 -0.305 1
1 817 . 7 1 1 A 63 63 LYS CB C 63 32.400 32.059 0.341 1
1 821 . 7 1 1 A 63 63 LYS N N 63 119.100 119.020 0.080 1
1 822 . 7 1 1 A 64 64 SER H H 64 7.580 7.471 0.109 1
1 823 . 7 1 1 A 64 64 SER HA H 64 4.260 4.405 -0.145 1
1 826 . 7 1 1 A 64 64 SER C C 64 172.100 173.535 -1.435 1
1 827 . 7 1 1 A 64 64 SER CA C 64 59.300 58.255 1.045 1
1 828 . 7 1 1 A 64 64 SER CB C 64 63.600 63.193 0.407 1
1 829 . 7 1 1 A 64 64 SER N N 64 112.470 111.636 0.834 1
1 830 . 7 1 1 A 65 65 ASN H H 65 7.760 7.861 -0.101 1
1 831 . 7 1 1 A 65 65 ASN HA H 65 3.870 4.093 -0.223 1
1 836 . 7 1 1 A 65 65 ASN C C 65 171.100 173.475 -2.375 1
1 837 . 7 1 1 A 65 65 ASN CA C 65 54.300 53.985 0.315 1
1 838 . 7 1 1 A 65 65 ASN CB C 65 37.500 37.216 0.284 1
1 840 . 7 1 1 A 65 65 ASN N N 65 117.600 118.205 -0.605 1
1 842 . 7 1 1 A 66 66 ILE H H 66 6.820 7.129 -0.309 1
1 843 . 7 1 1 A 66 66 ILE HA H 66 4.590 4.433 0.157 1
1 853 . 7 1 1 A 66 66 ILE C C 66 174.000 173.976 0.024 1
1 854 . 7 1 1 A 66 66 ILE CA C 66 58.200 59.882 -1.682 1
1 855 . 7 1 1 A 66 66 ILE CB C 66 40.200 40.305 -0.105 1
1 859 . 7 1 1 A 66 66 ILE N N 66 113.900 119.141 -5.241 1
1 860 . 7 1 1 A 67 67 TYR H H 67 8.530 8.310 0.220 1
1 861 . 7 1 1 A 67 67 TYR HA H 67 5.050 5.195 -0.145 1
1 868 . 7 1 1 A 67 67 TYR CA C 67 54.000 54.771 -0.771 1
1 869 . 7 1 1 A 67 67 TYR CB C 67 39.400 38.933 0.467 1
1 874 . 7 1 1 A 67 67 TYR N N 67 120.200 125.717 -5.517 1
1 875 . 7 1 1 A 68 68 PRO HA H 68 5.120 3.883 1.237 1
1 882 . 7 1 1 A 68 68 PRO C C 68 174.600 176.391 -1.791 1
1 883 . 7 1 1 A 68 68 PRO CA C 68 61.500 61.824 -0.324 1
1 884 . 7 1 1 A 68 68 PRO CB C 68 32.200 30.949 1.251 1
1 887 . 7 1 1 A 69 69 PHE H H 69 8.870 7.948 0.922 1
1 888 . 7 1 1 A 69 69 PHE HA H 69 6.330 5.557 0.773 1
1 896 . 7 1 1 A 69 69 PHE C C 69 173.000 172.993 0.007 1
1 897 . 7 1 1 A 69 69 PHE CA C 69 56.300 55.717 0.583 1
1 898 . 7 1 1 A 69 69 PHE CB C 69 42.900 42.593 0.307 1
1 903 . 7 1 1 A 69 69 PHE N N 69 118.400 118.190 0.210 1
1 904 . 7 1 1 A 70 70 ILE H H 70 9.060 8.963 0.097 1
1 905 . 7 1 1 A 70 70 ILE HA H 70 4.840 4.987 -0.147 1
1 915 . 7 1 1 A 70 70 ILE C C 70 175.700 174.854 0.846 1
1 916 . 7 1 1 A 70 70 ILE CA C 70 61.900 59.689 2.211 1
1 917 . 7 1 1 A 70 70 ILE CB C 70 43.000 42.236 0.764 1
1 921 . 7 1 1 A 70 70 ILE N N 70 117.700 121.105 -3.405 1
1 922 . 7 1 1 A 71 71 LEU H H 71 9.320 8.545 0.775 1
1 923 . 7 1 1 A 71 71 LEU HA H 71 5.720 5.253 0.467 1
1 933 . 7 1 1 A 71 71 LEU C C 71 175.600 175.287 0.313 1
1 934 . 7 1 1 A 71 71 LEU CA C 71 52.400 54.351 -1.951 1
1 935 . 7 1 1 A 71 71 LEU CB C 71 43.700 43.400 0.300 1
1 939 . 7 1 1 A 71 71 LEU N N 71 124.800 125.394 -0.594 1
1 940 . 7 1 1 A 72 72 TYR H H 72 9.250 9.168 0.082 1
1 941 . 7 1 1 A 72 72 TYR HA H 72 5.350 5.311 0.039 1
1 948 . 7 1 1 A 72 72 TYR C C 72 174.100 174.740 -0.640 1
1 949 . 7 1 1 A 72 72 TYR CA C 72 57.300 56.927 0.373 1
1 950 . 7 1 1 A 72 72 TYR CB C 72 44.500 43.356 1.144 1
1 955 . 7 1 1 A 72 72 TYR N N 72 120.700 122.076 -1.376 1
1 956 . 7 1 1 A 73 73 TYR H H 73 9.250 9.125 0.125 1
1 957 . 7 1 1 A 73 73 TYR HA H 73 5.110 4.947 0.163 1
1 964 . 7 1 1 A 73 73 TYR C C 73 174.500 174.921 -0.421 1
1 965 . 7 1 1 A 73 73 TYR CA C 73 56.500 57.870 -1.370 1
1 966 . 7 1 1 A 73 73 TYR CB C 73 40.400 40.512 -0.112 1
1 971 . 7 1 1 A 73 73 TYR N N 73 120.300 123.554 -3.254 1
1 972 . 7 1 1 A 74 74 GLN H H 74 9.310 9.086 0.224 1
1 973 . 7 1 1 A 74 74 GLN HA H 74 3.530 3.815 -0.285 1
1 980 . 7 1 1 A 74 74 GLN C C 74 175.400 174.781 0.619 1
1 981 . 7 1 1 A 74 74 GLN CA C 74 57.200 56.584 0.616 1
1 982 . 7 1 1 A 74 74 GLN CB C 74 25.500 27.149 -1.649 1
1 985 . 7 1 1 A 74 74 GLN N N 74 126.000 126.637 -0.637 1
1 987 . 7 1 1 A 75 75 LYS H H 75 8.530 8.483 0.047 1
1 988 . 7 1 1 A 75 75 LYS HA H 75 3.820 3.782 0.038 1
1 997 . 7 1 1 A 75 75 LYS C C 75 175.500 174.714 0.786 1
1 998 . 7 1 1 A 75 75 LYS CA C 75 57.300 57.427 -0.127 1
1 999 . 7 1 1 A 75 75 LYS CB C 75 30.900 29.430 1.470 1
1 1003 . 7 1 1 A 75 75 LYS N N 75 113.600 111.324 2.276 1
1 1004 . 7 1 1 A 76 76 GLN H H 76 8.550 7.828 0.722 1
1 1005 . 7 1 1 A 76 76 GLN HA H 76 4.470 4.815 -0.345 1
1 1012 . 7 1 1 A 76 76 GLN C C 76 175.400 174.470 0.930 1
1 1013 . 7 1 1 A 76 76 GLN CA C 76 54.700 54.864 -0.164 1
1 1014 . 7 1 1 A 76 76 GLN CB C 76 29.900 31.643 -1.743 1
1 1017 . 7 1 1 A 76 76 GLN N N 76 122.200 118.043 4.157 1
1 1019 . 7 1 1 A 77 77 LEU H H 77 8.860 8.845 0.015 1
1 1020 . 7 1 1 A 77 77 LEU HA H 77 3.940 4.371 -0.431 1
1 1030 . 7 1 1 A 77 77 LEU C C 77 175.300 176.412 -1.112 1
1 1031 . 7 1 1 A 77 77 LEU CA C 77 56.800 56.388 0.412 1
1 1032 . 7 1 1 A 77 77 LEU CB C 77 41.800 42.364 -0.564 1
1 1036 . 7 1 1 A 77 77 LEU N N 77 128.900 127.552 1.348 1
1 1037 . 7 1 1 A 78 78 ILE H H 78 8.880 8.753 0.127 1
1 1038 . 7 1 1 A 78 78 ILE HA H 78 4.810 4.311 0.499 1
1 1048 . 7 1 1 A 78 78 ILE C C 78 174.600 176.120 -1.520 1
1 1049 . 7 1 1 A 78 78 ILE CA C 78 58.300 62.798 -4.498 1
1 1050 . 7 1 1 A 78 78 ILE CB C 78 38.270 38.667 -0.397 1
1 1054 . 7 1 1 A 78 78 ILE N N 78 126.900 127.539 -0.639 1
1 1055 . 7 1 1 A 79 79 ALA H H 79 7.940 7.558 0.382 1
1 1056 . 7 1 1 A 79 79 ALA HA H 79 5.390 4.855 0.535 1
1 1060 . 7 1 1 A 79 79 ALA C C 79 175.300 175.201 0.099 1
1 1061 . 7 1 1 A 79 79 ALA CA C 79 51.600 51.720 -0.120 1
1 1062 . 7 1 1 A 79 79 ALA CB C 79 24.000 22.937 1.063 1
1 1063 . 7 1 1 A 79 79 ALA N N 79 115.000 118.150 -3.150 1
1 1064 . 7 1 1 A 80 80 ILE H H 80 8.580 8.974 -0.394 1
1 1065 . 7 1 1 A 80 80 ILE HA H 80 4.840 4.973 -0.133 1
1 1075 . 7 1 1 A 80 80 ILE C C 80 175.000 175.160 -0.160 1
1 1076 . 7 1 1 A 80 80 ILE CA C 80 60.300 59.903 0.397 1
1 1077 . 7 1 1 A 80 80 ILE CB C 80 42.800 41.276 1.524 1
1 1081 . 7 1 1 A 80 80 ILE N N 80 117.900 119.917 -2.017 1
1 1082 . 7 1 1 A 81 81 GLY H H 81 8.200 8.282 -0.082 1
1 1083 . 7 1 1 A 81 81 GLY HA2 H 81 3.750 3.537 0.213 1
1 1084 . 7 1 1 A 81 81 GLY HA3 H 81 4.070 3.670 0.400 1
1 1085 . 7 1 1 A 81 81 GLY C C 81 169.100 171.516 -2.416 1
1 1086 . 7 1 1 A 81 81 GLY CA C 81 46.600 44.125 2.475 1
1 1087 . 7 1 1 A 81 81 GLY N N 81 116.400 114.591 1.809 1
1 1088 . 7 1 1 A 82 82 PHE H H 82 8.210 8.478 -0.268 1
1 1089 . 7 1 1 A 82 82 PHE HA H 82 5.340 4.749 0.591 1
1 1094 . 7 1 1 A 82 82 PHE C C 82 172.400 174.277 -1.877 1
1 1095 . 7 1 1 A 82 82 PHE CA C 82 56.300 57.222 -0.922 1
1 1096 . 7 1 1 A 82 82 PHE CB C 82 40.100 40.756 -0.656 1
1 1099 . 7 1 1 A 82 82 PHE N N 82 114.500 124.109 -9.609 1
1 1100 . 7 1 1 A 83 83 ILE H H 83 8.490 8.653 -0.163 1
1 1101 . 7 1 1 A 83 83 ILE HA H 83 4.740 4.650 0.090 1
1 1111 . 7 1 1 A 83 83 ILE C C 83 175.200 175.298 -0.098 1
1 1112 . 7 1 1 A 83 83 ILE CA C 83 60.400 60.190 0.210 1
1 1113 . 7 1 1 A 83 83 ILE CB C 83 39.500 39.043 0.457 1
1 1117 . 7 1 1 A 83 83 ILE N N 83 123.400 123.769 -0.369 1
1 1118 . 7 1 1 A 84 84 ASP H H 84 8.550 8.704 -0.154 1
1 1119 . 7 1 1 A 84 84 ASP HA H 84 5.170 4.815 0.355 1
1 1122 . 7 1 1 A 84 84 ASP C C 84 178.600 175.583 3.017 1
1 1123 . 7 1 1 A 84 84 ASP CA C 84 52.200 53.241 -1.041 1
1 1124 . 7 1 1 A 84 84 ASP CB C 84 42.400 42.318 0.082 1
1 1125 . 7 1 1 A 84 84 ASP N N 84 126.900 128.441 -1.541 1
1 1126 . 7 1 1 A 85 85 GLU H H 85 9.250 8.497 0.753 1
1 1127 . 7 1 1 A 85 85 GLU HA H 85 4.350 3.933 0.417 1
1 1132 . 7 1 1 A 85 85 GLU C C 85 176.800 177.277 -0.477 1
1 1133 . 7 1 1 A 85 85 GLU CA C 85 58.400 57.498 0.902 1
1 1134 . 7 1 1 A 85 85 GLU CB C 85 28.700 29.865 -1.165 1
1 1136 . 7 1 1 A 85 85 GLU N N 85 118.000 121.828 -3.828 1
1 1137 . 7 1 1 A 86 86 ASN H H 86 8.280 9.217 -0.937 1
1 1138 . 7 1 1 A 86 86 ASN HA H 86 4.760 4.486 0.274 1
1 1143 . 7 1 1 A 86 86 ASN C C 86 174.600 175.369 -0.769 1
1 1144 . 7 1 1 A 86 86 ASN CA C 86 52.800 54.645 -1.845 1
1 1145 . 7 1 1 A 86 86 ASN CB C 86 38.900 37.083 1.817 1
1 1147 . 7 1 1 A 86 86 ASN N N 86 118.300 120.874 -2.574 1
1 1149 . 7 1 1 A 87 87 HIS H H 87 8.570 8.606 -0.036 1
1 1150 . 7 1 1 A 87 87 HIS HA H 87 3.940 4.277 -0.337 1
1 1154 . 7 1 1 A 87 87 HIS C C 87 173.600 174.609 -1.009 1
1 1155 . 7 1 1 A 87 87 HIS CA C 87 57.000 57.183 -0.183 1
1 1156 . 7 1 1 A 87 87 HIS CB C 87 26.700 29.184 -2.484 1
1 1158 . 7 1 1 A 87 87 HIS N N 87 114.000 115.461 -1.461 1
1 1159 . 7 1 1 A 88 88 ASP H H 88 8.210 8.033 0.177 1
1 1160 . 7 1 1 A 88 88 ASP HA H 88 4.840 4.510 0.330 1
1 1163 . 7 1 1 A 88 88 ASP C C 88 174.800 175.970 -1.170 1
1 1164 . 7 1 1 A 88 88 ASP CA C 88 53.900 54.592 -0.692 1
1 1165 . 7 1 1 A 88 88 ASP CB C 88 41.500 41.679 -0.179 1
1 1166 . 7 1 1 A 88 88 ASP N N 88 120.300 121.438 -1.138 1
1 1167 . 7 1 1 A 89 89 MET H H 89 8.550 8.681 -0.131 1
1 1168 . 7 1 1 A 89 89 MET HA H 89 4.450 4.695 -0.245 1
1 1176 . 7 1 1 A 89 89 MET C C 89 173.400 175.287 -1.887 1
1 1177 . 7 1 1 A 89 89 MET CA C 89 55.800 54.433 1.367 1
1 1178 . 7 1 1 A 89 89 MET CB C 89 34.700 32.165 2.535 1
1 1181 . 7 1 1 A 89 89 MET N N 89 120.400 126.125 -5.725 1
1 1182 . 7 1 1 A 90 90 ASP H H 90 8.420 8.225 0.195 1
1 1183 . 7 1 1 A 90 90 ASP HA H 90 4.580 5.033 -0.453 1
1 1186 . 7 1 1 A 90 90 ASP C C 90 174.600 174.370 0.230 1
1 1187 . 7 1 1 A 90 90 ASP CA C 90 52.300 53.466 -1.166 1
1 1188 . 7 1 1 A 90 90 ASP CB C 90 41.800 43.371 -1.571 1
1 1189 . 7 1 1 A 90 90 ASP N N 90 126.900 122.967 3.933 1
1 1190 . 7 1 1 A 91 91 PHE H H 91 8.350 9.199 -0.849 1
1 1191 . 7 1 1 A 91 91 PHE HA H 91 4.780 4.926 -0.146 1
1 1199 . 7 1 1 A 91 91 PHE C C 91 175.600 175.457 0.143 1
1 1200 . 7 1 1 A 91 91 PHE CA C 91 58.200 56.909 1.291 1
1 1201 . 7 1 1 A 91 91 PHE CB C 91 41.400 39.978 1.422 1
1 1207 . 7 1 1 A 91 91 PHE N N 91 118.600 124.667 -6.067 1
1 1208 . 7 1 1 A 92 92 LEU H H 92 9.060 8.883 0.177 1
1 1209 . 7 1 1 A 92 92 LEU HA H 92 4.330 4.517 -0.187 1
1 1219 . 7 1 1 A 92 92 LEU C C 92 175.700 176.262 -0.562 1
1 1220 . 7 1 1 A 92 92 LEU CA C 92 55.200 55.146 0.054 1
1 1221 . 7 1 1 A 92 92 LEU CB C 92 43.500 42.823 0.677 1
1 1225 . 7 1 1 A 92 92 LEU N N 92 121.100 125.102 -4.002 1
1 1226 . 7 1 1 A 93 93 TYR H H 93 7.970 7.613 0.357 1
1 1227 . 7 1 1 A 93 93 TYR HA H 93 4.780 4.826 -0.046 1
1 1234 . 7 1 1 A 93 93 TYR C C 93 172.800 173.313 -0.513 1
1 1235 . 7 1 1 A 93 93 TYR CA C 93 57.600 57.271 0.329 1
1 1236 . 7 1 1 A 93 93 TYR CB C 93 42.500 41.696 0.804 1
1 1241 . 7 1 1 A 93 93 TYR N N 93 118.600 119.484 -0.884 1
1 1242 . 7 1 1 A 94 94 LEU H H 94 8.220 8.133 0.087 1
1 1243 . 7 1 1 A 94 94 LEU HA H 94 5.060 4.826 0.234 1
1 1253 . 7 1 1 A 94 94 LEU C C 94 171.900 173.920 -2.020 1
1 1254 . 7 1 1 A 94 94 LEU CA C 94 55.100 53.721 1.379 1
1 1255 . 7 1 1 A 94 94 LEU CB C 94 44.800 44.460 0.340 1
1 1259 . 7 1 1 A 94 94 LEU N N 94 128.600 129.927 -1.327 1
1 1260 . 7 1 1 A 95 95 HIS H H 95 9.720 8.958 0.762 1
1 1261 . 7 1 1 A 95 95 HIS HA H 95 4.570 5.221 -0.651 1
1 1266 . 7 1 1 A 95 95 HIS C C 95 173.100 174.219 -1.119 1
1 1267 . 7 1 1 A 95 95 HIS CA C 95 55.500 53.181 2.319 1
1 1268 . 7 1 1 A 95 95 HIS CB C 95 35.900 32.542 3.358 1
1 1271 . 7 1 1 A 95 95 HIS N N 95 133.000 127.058 5.942 1
1 1272 . 7 1 1 A 96 96 ASN H H 96 7.670 8.673 -1.003 1
1 1273 . 7 1 1 A 96 96 ASN HA H 96 4.930 4.875 0.055 1
1 1278 . 7 1 1 A 96 96 ASN C C 96 176.100 176.959 -0.859 1
1 1279 . 7 1 1 A 96 96 ASN CA C 96 51.000 52.880 -1.880 1
1 1280 . 7 1 1 A 96 96 ASN CB C 96 38.500 39.478 -0.978 1
1 1281 . 7 1 1 A 96 96 ASN N N 96 118.600 124.694 -6.094 1
1 1283 . 7 1 1 A 97 97 THR H H 97 10.580 8.699 1.881 1
1 1284 . 7 1 1 A 97 97 THR HA H 97 4.090 4.017 0.073 1
1 1289 . 7 1 1 A 97 97 THR C C 97 174.600 176.453 -1.853 1
1 1290 . 7 1 1 A 97 97 THR CA C 97 67.000 67.274 -0.274 1
1 1291 . 7 1 1 A 97 97 THR CB C 97 68.300 68.569 -0.269 1
1 1293 . 7 1 1 A 97 97 THR N N 97 116.300 115.949 0.351 1
1 1294 . 7 1 1 A 98 98 VAL H H 98 8.440 7.662 0.778 1
1 1295 . 7 1 1 A 98 98 VAL HA H 98 4.180 3.985 0.195 1
1 1303 . 7 1 1 A 98 98 VAL C C 98 174.800 176.046 -1.246 1
1 1304 . 7 1 1 A 98 98 VAL CA C 98 64.400 64.348 0.052 1
1 1305 . 7 1 1 A 98 98 VAL CB C 98 33.100 31.540 1.560 1
1 1308 . 7 1 1 A 98 98 VAL N N 98 123.900 117.512 6.388 1
1 1309 . 7 1 1 A 99 99 MET H H 99 8.590 7.706 0.884 1
1 1310 . 7 1 1 A 99 99 MET HA H 99 4.720 4.919 -0.199 1
1 1318 . 7 1 1 A 99 99 MET CA C 99 52.400 52.268 0.132 1
1 1319 . 7 1 1 A 99 99 MET CB C 99 34.100 34.558 -0.458 1
1 1322 . 7 1 1 A 99 99 MET N N 99 118.700 119.632 -0.932 1
1 1323 . 7 1 1 A 100 100 PRO HA H 100 4.210 4.335 -0.125 1
1 1330 . 7 1 1 A 100 100 PRO C C 100 175.900 176.713 -0.813 1
1 1331 . 7 1 1 A 100 100 PRO CA C 100 62.100 62.519 -0.419 1
1 1332 . 7 1 1 A 100 100 PRO CB C 100 31.000 32.504 -1.504 1
1 1335 . 7 1 1 A 101 101 LEU H H 101 9.010 8.192 0.818 1
1 1336 . 7 1 1 A 101 101 LEU HA H 101 4.310 4.379 -0.069 1
1 1346 . 7 1 1 A 101 101 LEU C C 101 176.900 176.711 0.189 1
1 1347 . 7 1 1 A 101 101 LEU CA C 101 55.000 55.771 -0.771 1
1 1348 . 7 1 1 A 101 101 LEU CB C 101 42.800 43.542 -0.742 1
1 1352 . 7 1 1 A 101 101 LEU N N 101 124.000 120.416 3.584 1
1 1353 . 7 1 1 A 102 102 LEU H H 102 7.620 7.624 -0.004 1
1 1354 . 7 1 1 A 102 102 LEU HA H 102 4.360 4.623 -0.263 1
1 1364 . 7 1 1 A 102 102 LEU C C 102 174.800 174.323 0.477 1
1 1365 . 7 1 1 A 102 102 LEU CA C 102 54.900 53.695 1.205 1
1 1366 . 7 1 1 A 102 102 LEU CB C 102 45.300 44.275 1.025 1
1 1370 . 7 1 1 A 102 102 LEU N N 102 119.000 114.181 4.819 1
1 1371 . 7 1 1 A 103 103 ASP H H 103 9.120 8.649 0.471 1
1 1372 . 7 1 1 A 103 103 ASP HA H 103 5.100 5.170 -0.070 1
1 1375 . 7 1 1 A 103 103 ASP C C 103 174.500 174.297 0.203 1
1 1376 . 7 1 1 A 103 103 ASP CA C 103 54.900 53.565 1.335 1
1 1377 . 7 1 1 A 103 103 ASP CB C 103 41.000 43.873 -2.873 1
1 1378 . 7 1 1 A 103 103 ASP N N 103 120.700 117.827 2.873 1
1 1379 . 7 1 1 A 104 104 GLN H H 104 8.990 8.790 0.200 1
1 1380 . 7 1 1 A 104 104 GLN HA H 104 4.710 4.711 -0.001 1
1 1387 . 7 1 1 A 104 104 GLN C C 104 176.100 175.692 0.408 1
1 1388 . 7 1 1 A 104 104 GLN CA C 104 54.100 54.996 -0.896 1
1 1389 . 7 1 1 A 104 104 GLN CB C 104 28.500 29.682 -1.182 1
1 1392 . 7 1 1 A 104 104 GLN N N 104 125.400 122.902 2.498 1
1 1394 . 7 1 1 A 105 105 ARG H H 105 8.380 8.960 -0.580 1
1 1395 . 7 1 1 A 105 105 ARG HA H 105 3.510 3.985 -0.475 1
1 1402 . 7 1 1 A 105 105 ARG C C 105 177.500 177.891 -0.391 1
1 1403 . 7 1 1 A 105 105 ARG CA C 105 60.200 58.974 1.226 1
1 1404 . 7 1 1 A 105 105 ARG CB C 105 29.400 30.262 -0.862 1
1 1407 . 7 1 1 A 105 105 ARG N N 105 117.700 126.074 -8.374 1
1 1408 . 7 1 1 A 106 106 TYR H H 106 7.800 8.221 -0.421 1
1 1409 . 7 1 1 A 106 106 TYR HA H 106 4.360 4.503 -0.143 1
1 1416 . 7 1 1 A 106 106 TYR C C 106 176.800 177.332 -0.532 1
1 1417 . 7 1 1 A 106 106 TYR CA C 106 58.600 60.753 -2.153 1
1 1418 . 7 1 1 A 106 106 TYR CB C 106 36.000 37.012 -1.012 1
1 1423 . 7 1 1 A 106 106 TYR N N 106 118.100 118.128 -0.028 1
1 1424 . 7 1 1 A 107 107 LEU H H 107 7.170 6.722 0.448 1
1 1425 . 7 1 1 A 107 107 LEU HA H 107 3.970 3.406 0.564 1
1 1435 . 7 1 1 A 107 107 LEU C C 107 178.300 178.286 0.014 1
1 1436 . 7 1 1 A 107 107 LEU CA C 107 56.600 57.392 -0.792 1
1 1437 . 7 1 1 A 107 107 LEU CB C 107 41.800 40.904 0.896 1
1 1441 . 7 1 1 A 107 107 LEU N N 107 121.900 123.750 -1.850 1
1 1442 . 7 1 1 A 108 108 LEU H H 108 7.680 7.147 0.533 1
1 1443 . 7 1 1 A 108 108 LEU HA H 108 4.070 3.839 0.231 1
1 1453 . 7 1 1 A 108 108 LEU C C 108 177.500 177.648 -0.148 1
1 1454 . 7 1 1 A 108 108 LEU CA C 108 55.400 55.953 -0.553 1
1 1455 . 7 1 1 A 108 108 LEU CB C 108 41.500 41.727 -0.227 1
1 1459 . 7 1 1 A 108 108 LEU N N 108 115.400 117.786 -2.386 1
1 1460 . 7 1 1 A 109 109 THR H H 109 7.510 7.289 0.221 1
1 1461 . 7 1 1 A 109 109 THR HA H 109 4.310 4.565 -0.255 1
1 1466 . 7 1 1 A 109 109 THR C C 109 175.300 175.308 -0.008 1
1 1467 . 7 1 1 A 109 109 THR CA C 109 61.600 61.423 0.177 1
1 1468 . 7 1 1 A 109 109 THR CB C 109 69.500 69.617 -0.117 1
1 1470 . 7 1 1 A 109 109 THR N N 109 108.800 106.712 2.088 1
1 1471 . 7 1 1 A 110 110 GLY H H 110 8.010 7.682 0.328 1
1 1472 . 7 1 1 A 110 110 GLY HA2 H 110 3.950 3.986 -0.036 1
1 1473 . 7 1 1 A 110 110 GLY HA3 H 110 4.030 3.996 0.034 1
1 1474 . 7 1 1 A 110 110 GLY C C 110 174.500 175.673 -1.173 1
1 1475 . 7 1 1 A 110 110 GLY CA C 110 45.400 45.352 0.048 1
1 1476 . 7 1 1 A 110 110 GLY N N 110 110.100 111.520 -1.420 1
1 1477 . 7 1 1 A 111 111 GLY H H 111 8.310 8.850 -0.540 1
1 1478 . 7 1 1 A 111 111 GLY HA2 H 111 3.930 4.120 -0.190 1
1 1479 . 7 1 1 A 111 111 GLY HA3 H 111 3.930 4.147 -0.217 1
1 1480 . 7 1 1 A 111 111 GLY C C 111 173.700 173.935 -0.235 1
1 1481 . 7 1 1 A 111 111 GLY CA C 111 45.400 45.721 -0.321 1
1 1482 . 7 1 1 A 111 111 GLY N N 111 108.300 110.913 -2.613 1
1 1483 . 7 1 1 A 112 112 GLN H H 112 8.280 8.136 0.144 1
1 1484 . 7 1 1 A 112 112 GLN HA H 112 4.270 4.702 -0.432 1
1 1491 . 7 1 1 A 112 112 GLN C C 112 175.700 175.490 0.210 1
1 1492 . 7 1 1 A 112 112 GLN CA C 112 55.600 56.816 -1.216 1
1 1493 . 7 1 1 A 112 112 GLN CB C 112 29.200 31.862 -2.662 1
1 1496 . 7 1 1 A 112 112 GLN N N 112 119.200 119.926 -0.726 1
1 1498 . 7 1 1 A 113 113 LEU H H 113 8.260 7.709 0.551 1
1 1499 . 7 1 1 A 113 113 LEU HA H 113 4.180 4.320 -0.140 1
1 1509 . 7 1 1 A 113 113 LEU C C 113 177.000 176.529 0.471 1
1 1510 . 7 1 1 A 113 113 LEU CA C 113 55.100 54.820 0.280 1
1 1511 . 7 1 1 A 113 113 LEU CB C 113 42.100 42.501 -0.401 1
1 1515 . 7 1 1 A 113 113 LEU N N 113 122.800 120.315 2.485 1
1 1516 . 7 1 1 A 114 114 GLU H H 114 8.290 8.950 -0.660 1
1 1517 . 7 1 1 A 114 114 GLU HA H 114 4.140 4.635 -0.495 1
1 1522 . 7 1 1 A 114 114 GLU CA C 114 56.300 57.913 -1.613 1
1 1523 . 7 1 1 A 114 114 GLU CB C 114 30.200 33.106 -2.906 1
1 1 . 8 1 1 A 2 2 THR HA H 2 4.300 4.303 -0.003 1
1 6 . 8 1 1 A 2 2 THR C C 2 174.800 175.743 -0.943 1
1 7 . 8 1 1 A 2 2 THR CA C 2 61.100 62.160 -1.060 1
1 8 . 8 1 1 A 2 2 THR CB C 2 70.400 69.432 0.968 1
1 10 . 8 1 1 A 3 3 LEU H H 3 8.760 7.676 1.084 1
1 11 . 8 1 1 A 3 3 LEU HA H 3 4.110 3.939 0.171 1
1 21 . 8 1 1 A 3 3 LEU C C 3 178.300 179.276 -0.976 1
1 22 . 8 1 1 A 3 3 LEU CA C 3 57.800 57.866 -0.066 1
1 23 . 8 1 1 A 3 3 LEU CB C 3 41.600 41.130 0.470 1
1 27 . 8 1 1 A 3 3 LEU N N 3 123.600 122.392 1.208 1
1 28 . 8 1 1 A 4 4 GLU H H 4 8.740 7.995 0.745 1
1 29 . 8 1 1 A 4 4 GLU HA H 4 3.670 4.093 -0.423 1
1 34 . 8 1 1 A 4 4 GLU C C 4 177.900 179.185 -1.285 1
1 35 . 8 1 1 A 4 4 GLU CA C 4 60.000 59.279 0.721 1
1 36 . 8 1 1 A 4 4 GLU CB C 4 29.200 29.701 -0.501 1
1 38 . 8 1 1 A 4 4 GLU N N 4 116.500 119.261 -2.761 1
1 39 . 8 1 1 A 5 5 LEU H H 5 7.340 8.133 -0.793 1
1 40 . 8 1 1 A 5 5 LEU HA H 5 3.900 4.047 -0.147 1
1 50 . 8 1 1 A 5 5 LEU C C 5 178.900 178.832 0.068 1
1 51 . 8 1 1 A 5 5 LEU CA C 5 56.900 57.693 -0.793 1
1 52 . 8 1 1 A 5 5 LEU CB C 5 41.200 41.661 -0.461 1
1 56 . 8 1 1 A 5 5 LEU N N 5 120.500 121.130 -0.630 1
1 57 . 8 1 1 A 6 6 GLN H H 6 8.350 7.816 0.534 1
1 58 . 8 1 1 A 6 6 GLN HA H 6 3.970 4.235 -0.265 1
1 63 . 8 1 1 A 6 6 GLN C C 6 179.700 178.781 0.919 1
1 64 . 8 1 1 A 6 6 GLN CA C 6 59.100 58.685 0.415 1
1 65 . 8 1 1 A 6 6 GLN CB C 6 29.100 28.163 0.937 1
1 67 . 8 1 1 A 6 6 GLN N N 6 120.800 118.606 2.194 1
1 68 . 8 1 1 A 7 7 LEU H H 7 8.620 7.787 0.833 1
1 69 . 8 1 1 A 7 7 LEU HA H 7 4.010 4.172 -0.162 1
1 79 . 8 1 1 A 7 7 LEU C C 7 176.900 178.828 -1.928 1
1 80 . 8 1 1 A 7 7 LEU CA C 7 57.800 57.923 -0.123 1
1 81 . 8 1 1 A 7 7 LEU CB C 7 41.700 41.782 -0.082 1
1 85 . 8 1 1 A 7 7 LEU N N 7 121.000 121.245 -0.245 1
1 86 . 8 1 1 A 8 8 LYS H H 8 7.750 7.839 -0.089 1
1 87 . 8 1 1 A 8 8 LYS HA H 8 3.570 4.162 -0.592 1
1 96 . 8 1 1 A 8 8 LYS C C 8 179.400 178.970 0.430 1
1 97 . 8 1 1 A 8 8 LYS CA C 8 59.000 58.972 0.028 1
1 98 . 8 1 1 A 8 8 LYS CB C 8 32.400 32.160 0.240 1
1 102 . 8 1 1 A 8 8 LYS N N 8 119.700 118.940 0.760 1
1 103 . 8 1 1 A 9 9 HIS H H 9 8.520 8.404 0.116 1
1 104 . 8 1 1 A 9 9 HIS HA H 9 4.050 4.535 -0.485 1
1 107 . 8 1 1 A 9 9 HIS C C 9 176.500 176.833 -0.333 1
1 108 . 8 1 1 A 9 9 HIS CA C 9 59.400 59.141 0.259 1
1 109 . 8 1 1 A 9 9 HIS CB C 9 29.900 29.727 0.173 1
1 110 . 8 1 1 A 9 9 HIS N N 9 120.500 120.203 0.297 1
1 111 . 8 1 1 A 10 10 TYR H H 10 7.990 8.596 -0.606 1
1 112 . 8 1 1 A 10 10 TYR HA H 10 4.160 4.038 0.122 1
1 119 . 8 1 1 A 10 10 TYR C C 10 177.400 177.030 0.370 1
1 120 . 8 1 1 A 10 10 TYR CA C 10 61.800 61.356 0.444 1
1 121 . 8 1 1 A 10 10 TYR CB C 10 39.500 38.738 0.762 1
1 126 . 8 1 1 A 10 10 TYR N N 10 119.200 120.433 -1.233 1
1 127 . 8 1 1 A 11 11 ILE H H 11 8.710 8.129 0.581 1
1 128 . 8 1 1 A 11 11 ILE HA H 11 3.540 3.809 -0.269 1
1 138 . 8 1 1 A 11 11 ILE CA C 11 61.600 63.491 -1.891 1
1 139 . 8 1 1 A 11 11 ILE CB C 11 36.200 37.689 -1.489 1
1 143 . 8 1 1 A 11 11 ILE N N 11 118.900 119.864 -0.964 1
1 144 . 8 1 1 A 12 12 THR HA H 12 3.840 4.047 -0.207 1
1 149 . 8 1 1 A 12 12 THR C C 12 176.900 176.597 0.303 1
1 150 . 8 1 1 A 12 12 THR CA C 12 66.400 66.147 0.253 1
1 151 . 8 1 1 A 12 12 THR CB C 12 68.300 68.229 0.071 1
1 153 . 8 1 1 A 13 13 ASN H H 13 7.440 8.214 -0.774 1
1 154 . 8 1 1 A 13 13 ASN HA H 13 4.420 4.301 0.119 1
1 159 . 8 1 1 A 13 13 ASN C C 13 176.700 177.175 -0.475 1
1 160 . 8 1 1 A 13 13 ASN CA C 13 55.900 56.407 -0.507 1
1 161 . 8 1 1 A 13 13 ASN CB C 13 38.600 38.240 0.360 1
1 163 . 8 1 1 A 13 13 ASN N N 13 118.300 120.790 -2.490 1
1 165 . 8 1 1 A 14 14 LEU H H 14 7.890 7.353 0.537 1
1 166 . 8 1 1 A 14 14 LEU HA H 14 3.660 3.764 -0.104 1
1 176 . 8 1 1 A 14 14 LEU C C 14 177.900 177.732 0.168 1
1 177 . 8 1 1 A 14 14 LEU CA C 14 57.600 57.617 -0.017 1
1 178 . 8 1 1 A 14 14 LEU CB C 14 42.600 41.312 1.288 1
1 182 . 8 1 1 A 14 14 LEU N N 14 122.100 120.516 1.584 1
1 183 . 8 1 1 A 15 15 PHE H H 15 7.670 7.629 0.041 1
1 184 . 8 1 1 A 15 15 PHE HA H 15 4.490 4.532 -0.042 1
1 191 . 8 1 1 A 15 15 PHE C C 15 173.800 174.625 -0.825 1
1 192 . 8 1 1 A 15 15 PHE CA C 15 57.900 56.957 0.943 1
1 193 . 8 1 1 A 15 15 PHE CB C 15 38.900 39.706 -0.806 1
1 198 . 8 1 1 A 15 15 PHE N N 15 111.800 113.713 -1.913 1
1 199 . 8 1 1 A 16 16 ASN H H 16 7.450 8.122 -0.672 1
1 200 . 8 1 1 A 16 16 ASN HA H 16 4.420 4.204 0.216 1
1 205 . 8 1 1 A 16 16 ASN C C 16 174.200 174.358 -0.158 1
1 206 . 8 1 1 A 16 16 ASN CA C 16 54.100 54.360 -0.260 1
1 207 . 8 1 1 A 16 16 ASN CB C 16 36.500 36.808 -0.308 1
1 209 . 8 1 1 A 16 16 ASN N N 16 118.500 114.342 4.158 1
1 211 . 8 1 1 A 17 17 LEU H H 17 8.410 7.986 0.424 1
1 212 . 8 1 1 A 17 17 LEU HA H 17 4.630 4.455 0.175 1
1 222 . 8 1 1 A 17 17 LEU CA C 17 52.300 53.208 -0.908 1
1 223 . 8 1 1 A 17 17 LEU CB C 17 41.000 41.403 -0.403 1
1 227 . 8 1 1 A 17 17 LEU N N 17 118.700 120.025 -1.325 1
1 228 . 8 1 1 A 18 18 PRO HA H 18 4.380 4.484 -0.104 1
1 235 . 8 1 1 A 18 18 PRO C C 18 178.600 177.372 1.228 1
1 236 . 8 1 1 A 18 18 PRO CA C 18 63.100 63.603 -0.503 1
1 237 . 8 1 1 A 18 18 PRO CB C 18 31.800 32.341 -0.541 1
1 240 . 8 1 1 A 19 19 ARG H H 19 8.650 8.800 -0.150 1
1 241 . 8 1 1 A 19 19 ARG HA H 19 3.820 4.309 -0.489 1
1 248 . 8 1 1 A 19 19 ARG C C 19 176.500 177.541 -1.041 1
1 249 . 8 1 1 A 19 19 ARG CA C 19 58.100 57.505 0.595 1
1 250 . 8 1 1 A 19 19 ARG CB C 19 30.300 30.737 -0.437 1
1 253 . 8 1 1 A 19 19 ARG N N 19 124.600 122.729 1.871 1
1 254 . 8 1 1 A 20 20 ASP H H 20 8.390 7.868 0.522 1
1 255 . 8 1 1 A 20 20 ASP HA H 20 4.550 4.613 -0.063 1
1 258 . 8 1 1 A 20 20 ASP C C 20 175.700 176.148 -0.448 1
1 259 . 8 1 1 A 20 20 ASP CA C 20 53.000 54.982 -1.982 1
1 260 . 8 1 1 A 20 20 ASP CB C 20 40.400 41.042 -0.642 1
1 261 . 8 1 1 A 20 20 ASP N N 20 114.300 119.384 -5.084 1
1 262 . 8 1 1 A 21 21 GLU H H 21 6.780 7.914 -1.134 1
1 263 . 8 1 1 A 21 21 GLU HA H 21 4.150 4.601 -0.451 1
1 268 . 8 1 1 A 21 21 GLU C C 21 175.400 175.689 -0.289 1
1 269 . 8 1 1 A 21 21 GLU CA C 21 56.200 55.928 0.272 1
1 270 . 8 1 1 A 21 21 GLU CB C 21 31.600 30.477 1.123 1
1 272 . 8 1 1 A 21 21 GLU N N 21 121.600 119.408 2.192 1
1 273 . 8 1 1 A 22 22 LYS H H 22 8.860 8.593 0.267 1
1 274 . 8 1 1 A 22 22 LYS HA H 22 4.160 4.128 0.032 1
1 283 . 8 1 1 A 22 22 LYS C C 22 176.100 176.511 -0.411 1
1 284 . 8 1 1 A 22 22 LYS CA C 22 57.200 56.124 1.076 1
1 285 . 8 1 1 A 22 22 LYS CB C 22 33.000 33.006 -0.006 1
1 289 . 8 1 1 A 22 22 LYS N N 22 128.900 124.023 4.877 1
1 290 . 8 1 1 A 23 23 TRP H H 23 8.750 8.649 0.101 1
1 291 . 8 1 1 A 23 23 TRP HA H 23 5.400 5.095 0.305 1
1 300 . 8 1 1 A 23 23 TRP C C 23 176.500 175.625 0.875 1
1 301 . 8 1 1 A 23 23 TRP CA C 23 54.600 56.589 -1.989 1
1 302 . 8 1 1 A 23 23 TRP CB C 23 31.100 32.989 -1.889 1
1 308 . 8 1 1 A 23 23 TRP N N 23 126.100 122.485 3.615 1
1 310 . 8 1 1 A 24 24 GLU H H 24 9.040 8.269 0.771 1
1 311 . 8 1 1 A 24 24 GLU HA H 24 4.590 4.815 -0.225 1
1 316 . 8 1 1 A 24 24 GLU C C 24 174.100 175.462 -1.362 1
1 317 . 8 1 1 A 24 24 GLU CA C 24 54.200 55.135 -0.935 1
1 318 . 8 1 1 A 24 24 GLU CB C 24 31.600 30.889 0.711 1
1 320 . 8 1 1 A 24 24 GLU N N 24 122.700 119.797 2.903 1
1 321 . 8 1 1 A 25 25 CYS H H 25 8.740 8.885 -0.145 1
1 322 . 8 1 1 A 25 25 CYS HA H 25 4.870 5.079 -0.209 1
1 325 . 8 1 1 A 25 25 CYS C C 25 174.400 174.294 0.106 1
1 326 . 8 1 1 A 25 25 CYS CA C 25 57.200 58.261 -1.061 1
1 327 . 8 1 1 A 25 25 CYS CB C 25 30.200 28.451 1.749 1
1 328 . 8 1 1 A 25 25 CYS N N 25 119.900 124.148 -4.248 1
1 329 . 8 1 1 A 26 26 GLU H H 26 9.220 8.325 0.895 1
1 330 . 8 1 1 A 26 26 GLU HA H 26 4.740 4.910 -0.170 1
1 335 . 8 1 1 A 26 26 GLU C C 26 175.000 174.852 0.148 1
1 336 . 8 1 1 A 26 26 GLU CA C 26 55.100 55.417 -0.317 1
1 337 . 8 1 1 A 26 26 GLU CB C 26 31.700 33.197 -1.497 1
1 339 . 8 1 1 A 26 26 GLU N N 26 131.200 124.709 6.491 1
1 340 . 8 1 1 A 27 27 SER H H 27 8.900 8.926 -0.026 1
1 341 . 8 1 1 A 27 27 SER HA H 27 5.750 5.239 0.511 1
1 344 . 8 1 1 A 27 27 SER C C 27 173.600 174.053 -0.453 1
1 345 . 8 1 1 A 27 27 SER CA C 27 56.700 58.235 -1.535 1
1 346 . 8 1 1 A 27 27 SER CB C 27 64.200 64.265 -0.065 1
1 347 . 8 1 1 A 27 27 SER N N 27 125.100 124.119 0.981 1
1 348 . 8 1 1 A 28 28 ILE H H 28 8.540 9.168 -0.628 1
1 349 . 8 1 1 A 28 28 ILE HA H 28 4.680 4.644 0.036 1
1 359 . 8 1 1 A 28 28 ILE C C 28 174.100 174.586 -0.486 1
1 360 . 8 1 1 A 28 28 ILE CA C 28 59.800 60.210 -0.410 1
1 361 . 8 1 1 A 28 28 ILE CB C 28 42.700 42.035 0.665 1
1 365 . 8 1 1 A 28 28 ILE N N 28 123.200 126.566 -3.366 1
1 366 . 8 1 1 A 29 29 GLU H H 29 8.430 8.666 -0.236 1
1 367 . 8 1 1 A 29 29 GLU HA H 29 5.430 4.854 0.576 1
1 372 . 8 1 1 A 29 29 GLU C C 29 176.000 176.248 -0.248 1
1 373 . 8 1 1 A 29 29 GLU CA C 29 55.600 55.973 -0.373 1
1 374 . 8 1 1 A 29 29 GLU CB C 29 31.200 30.578 0.622 1
1 376 . 8 1 1 A 29 29 GLU N N 29 123.900 127.128 -3.228 1
1 377 . 8 1 1 A 30 30 GLU H H 30 8.850 8.646 0.204 1
1 378 . 8 1 1 A 30 30 GLU HA H 30 4.730 4.952 -0.222 1
1 383 . 8 1 1 A 30 30 GLU C C 30 174.300 176.108 -1.808 1
1 384 . 8 1 1 A 30 30 GLU CA C 30 54.700 54.310 0.390 1
1 385 . 8 1 1 A 30 30 GLU CB C 30 34.400 33.939 0.461 1
1 387 . 8 1 1 A 30 30 GLU N N 30 121.900 123.806 -1.906 1
1 388 . 8 1 1 A 31 31 VAL H H 31 9.260 8.867 0.393 1
1 389 . 8 1 1 A 31 31 VAL HA H 31 4.250 4.027 0.223 1
1 397 . 8 1 1 A 31 31 VAL C C 31 177.700 177.263 0.437 1
1 398 . 8 1 1 A 31 31 VAL CA C 31 62.500 63.484 -0.984 1
1 399 . 8 1 1 A 31 31 VAL CB C 31 31.800 31.865 -0.065 1
1 402 . 8 1 1 A 31 31 VAL N N 31 124.500 122.059 2.441 1
1 403 . 8 1 1 A 32 32 ALA H H 32 9.250 8.646 0.604 1
1 404 . 8 1 1 A 32 32 ALA HA H 32 3.710 4.038 -0.328 1
1 408 . 8 1 1 A 32 32 ALA C C 32 178.600 179.281 -0.681 1
1 409 . 8 1 1 A 32 32 ALA CA C 32 55.800 55.643 0.157 1
1 410 . 8 1 1 A 32 32 ALA CB C 32 19.400 18.350 1.050 1
1 411 . 8 1 1 A 32 32 ALA N N 32 129.900 128.552 1.348 1
1 412 . 8 1 1 A 33 33 ASP H H 33 9.510 8.177 1.333 1
1 413 . 8 1 1 A 33 33 ASP HA H 33 4.180 4.431 -0.251 1
1 416 . 8 1 1 A 33 33 ASP C C 33 176.300 177.349 -1.049 1
1 417 . 8 1 1 A 33 33 ASP CA C 33 54.600 56.462 -1.862 1
1 418 . 8 1 1 A 33 33 ASP CB C 33 39.200 40.560 -1.360 1
1 419 . 8 1 1 A 33 33 ASP N N 33 110.700 118.995 -8.295 1
1 420 . 8 1 1 A 34 34 ASP H H 34 7.830 8.449 -0.619 1
1 421 . 8 1 1 A 34 34 ASP HA H 34 4.650 4.487 0.163 1
1 424 . 8 1 1 A 34 34 ASP C C 34 176.300 176.941 -0.641 1
1 425 . 8 1 1 A 34 34 ASP CA C 34 55.100 55.243 -0.143 1
1 426 . 8 1 1 A 34 34 ASP CB C 34 41.000 40.895 0.105 1
1 427 . 8 1 1 A 34 34 ASP N N 34 114.700 118.689 -3.989 1
1 428 . 8 1 1 A 35 35 ILE H H 35 7.290 7.370 -0.080 1
1 429 . 8 1 1 A 35 35 ILE HA H 35 4.490 4.376 0.114 1
1 439 . 8 1 1 A 35 35 ILE C C 35 174.100 175.555 -1.455 1
1 440 . 8 1 1 A 35 35 ILE CA C 35 60.700 61.355 -0.655 1
1 441 . 8 1 1 A 35 35 ILE CB C 35 40.600 39.867 0.733 1
1 445 . 8 1 1 A 35 35 ILE N N 35 113.400 111.498 1.902 1
1 446 . 8 1 1 A 36 36 LEU H H 36 7.730 8.639 -0.909 1
1 447 . 8 1 1 A 36 36 LEU HA H 36 4.800 4.649 0.151 1
1 457 . 8 1 1 A 36 36 LEU CA C 36 52.200 52.408 -0.208 1
1 458 . 8 1 1 A 36 36 LEU CB C 36 42.700 42.173 0.527 1
1 462 . 8 1 1 A 36 36 LEU N N 36 120.400 124.581 -4.181 1
1 463 . 8 1 1 A 37 37 PRO HA H 37 4.440 4.627 -0.187 1
1 470 . 8 1 1 A 37 37 PRO C C 37 177.100 177.191 -0.091 1
1 471 . 8 1 1 A 37 37 PRO CA C 37 63.100 62.988 0.112 1
1 472 . 8 1 1 A 37 37 PRO CB C 37 32.700 32.812 -0.112 1
1 475 . 8 1 1 A 38 38 ASP H H 38 8.690 8.680 0.010 1
1 476 . 8 1 1 A 38 38 ASP HA H 38 4.230 4.342 -0.112 1
1 479 . 8 1 1 A 38 38 ASP C C 38 177.800 178.506 -0.706 1
1 480 . 8 1 1 A 38 38 ASP CA C 38 57.900 57.480 0.420 1
1 481 . 8 1 1 A 38 38 ASP CB C 38 42.200 40.648 1.552 1
1 482 . 8 1 1 A 38 38 ASP N N 38 123.800 122.171 1.629 1
1 483 . 8 1 1 A 39 39 GLN H H 39 9.080 8.102 0.978 1
1 484 . 8 1 1 A 39 39 GLN HA H 39 3.990 4.049 -0.059 1
1 491 . 8 1 1 A 39 39 GLN C C 39 176.400 177.132 -0.732 1
1 492 . 8 1 1 A 39 39 GLN CA C 39 58.000 58.639 -0.639 1
1 493 . 8 1 1 A 39 39 GLN CB C 39 27.300 28.404 -1.104 1
1 496 . 8 1 1 A 39 39 GLN N N 39 115.100 120.113 -5.013 1
1 498 . 8 1 1 A 40 40 TYR H H 40 7.510 7.775 -0.265 1
1 499 . 8 1 1 A 40 40 TYR HA H 40 4.730 4.410 0.320 1
1 506 . 8 1 1 A 40 40 TYR C C 40 174.200 176.718 -2.518 1
1 507 . 8 1 1 A 40 40 TYR CA C 40 57.000 58.454 -1.454 1
1 508 . 8 1 1 A 40 40 TYR CB C 40 39.400 38.131 1.269 1
1 513 . 8 1 1 A 40 40 TYR N N 40 116.800 116.828 -0.028 1
1 514 . 8 1 1 A 41 41 VAL H H 41 7.370 7.502 -0.132 1
1 515 . 8 1 1 A 41 41 VAL HA H 41 4.000 4.183 -0.183 1
1 523 . 8 1 1 A 41 41 VAL C C 41 175.400 176.790 -1.390 1
1 524 . 8 1 1 A 41 41 VAL CA C 41 62.800 63.914 -1.114 1
1 525 . 8 1 1 A 41 41 VAL CB C 41 34.300 33.490 0.810 1
1 528 . 8 1 1 A 41 41 VAL N N 41 116.100 118.382 -2.282 1
1 529 . 8 1 1 A 42 42 ARG H H 42 7.990 8.887 -0.897 1
1 530 . 8 1 1 A 42 42 ARG HA H 42 3.970 3.982 -0.012 1
1 537 . 8 1 1 A 42 42 ARG C C 42 176.600 178.753 -2.153 1
1 538 . 8 1 1 A 42 42 ARG CA C 42 58.500 59.605 -1.105 1
1 539 . 8 1 1 A 42 42 ARG CB C 42 29.700 29.925 -0.225 1
1 542 . 8 1 1 A 42 42 ARG N N 42 120.900 120.859 0.041 1
1 543 . 8 1 1 A 43 43 LEU H H 43 8.930 7.856 1.074 1
1 544 . 8 1 1 A 43 43 LEU HA H 43 4.060 3.991 0.069 1
1 554 . 8 1 1 A 43 43 LEU C C 43 176.200 178.163 -1.963 1
1 555 . 8 1 1 A 43 43 LEU CA C 43 56.100 58.344 -2.244 1
1 556 . 8 1 1 A 43 43 LEU CB C 43 40.100 41.724 -1.624 1
1 560 . 8 1 1 A 43 43 LEU N N 43 119.500 118.854 0.646 1
1 561 . 8 1 1 A 44 44 GLY H H 44 7.890 7.820 0.070 1
1 562 . 8 1 1 A 44 44 GLY HA2 H 44 3.930 3.995 -0.065 1
1 563 . 8 1 1 A 44 44 GLY HA3 H 44 4.540 3.998 0.542 1
1 564 . 8 1 1 A 44 44 GLY CA C 44 44.900 44.302 0.598 1
1 565 . 8 1 1 A 44 44 GLY N N 44 107.000 107.317 -0.317 1
1 566 . 8 1 1 A 45 45 PRO HA H 45 4.360 4.434 -0.074 1
1 573 . 8 1 1 A 45 45 PRO C C 45 176.900 177.881 -0.981 1
1 574 . 8 1 1 A 45 45 PRO CA C 45 64.400 64.181 0.219 1
1 575 . 8 1 1 A 45 45 PRO CB C 45 31.900 31.753 0.147 1
1 578 . 8 1 1 A 46 46 LEU H H 46 8.660 7.663 0.997 1
1 579 . 8 1 1 A 46 46 LEU HA H 46 3.970 4.107 -0.137 1
1 589 . 8 1 1 A 46 46 LEU C C 46 176.300 177.277 -0.977 1
1 590 . 8 1 1 A 46 46 LEU CA C 46 55.900 55.526 0.374 1
1 591 . 8 1 1 A 46 46 LEU CB C 46 43.500 41.106 2.394 1
1 595 . 8 1 1 A 46 46 LEU N N 46 117.000 118.207 -1.207 1
1 596 . 8 1 1 A 47 47 SER H H 47 7.160 7.450 -0.290 1
1 597 . 8 1 1 A 47 47 SER HA H 47 4.080 4.322 -0.242 1
1 600 . 8 1 1 A 47 47 SER C C 47 176.600 175.771 0.829 1
1 601 . 8 1 1 A 47 47 SER CA C 47 59.100 61.889 -2.789 1
1 602 . 8 1 1 A 47 47 SER CB C 47 62.800 63.246 -0.446 1
1 603 . 8 1 1 A 47 47 SER N N 47 110.300 116.424 -6.124 1
1 604 . 8 1 1 A 48 48 ASN H H 48 11.000 8.245 2.755 1
1 605 . 8 1 1 A 48 48 ASN HA H 48 4.090 4.939 -0.849 1
1 610 . 8 1 1 A 48 48 ASN C C 48 174.700 174.620 0.080 1
1 611 . 8 1 1 A 48 48 ASN CA C 48 55.200 52.635 2.565 1
1 612 . 8 1 1 A 48 48 ASN CB C 48 38.300 39.799 -1.499 1
1 614 . 8 1 1 A 48 48 ASN N N 48 123.200 116.497 6.703 1
1 616 . 8 1 1 A 49 49 LYS H H 49 7.830 7.139 0.691 1
1 617 . 8 1 1 A 49 49 LYS HA H 49 4.360 4.241 0.119 1
1 626 . 8 1 1 A 49 49 LYS C C 49 175.100 175.915 -0.815 1
1 627 . 8 1 1 A 49 49 LYS CA C 49 56.100 56.494 -0.394 1
1 628 . 8 1 1 A 49 49 LYS CB C 49 33.200 32.940 0.260 1
1 632 . 8 1 1 A 49 49 LYS N N 49 119.400 119.506 -0.106 1
1 633 . 8 1 1 A 50 50 ILE H H 50 8.570 8.414 0.156 1
1 634 . 8 1 1 A 50 50 ILE HA H 50 4.160 4.345 -0.185 1
1 644 . 8 1 1 A 50 50 ILE C C 50 175.000 175.485 -0.485 1
1 645 . 8 1 1 A 50 50 ILE CA C 50 61.200 60.904 0.296 1
1 646 . 8 1 1 A 50 50 ILE CB C 50 36.900 37.745 -0.845 1
1 650 . 8 1 1 A 50 50 ILE N N 50 123.000 123.600 -0.600 1
1 651 . 8 1 1 A 51 51 LEU H H 51 9.270 8.763 0.507 1
1 652 . 8 1 1 A 51 51 LEU HA H 51 5.170 5.277 -0.107 1
1 662 . 8 1 1 A 51 51 LEU C C 51 176.300 175.935 0.365 1
1 663 . 8 1 1 A 51 51 LEU CA C 51 52.500 53.384 -0.884 1
1 664 . 8 1 1 A 51 51 LEU CB C 51 42.600 45.247 -2.647 1
1 668 . 8 1 1 A 51 51 LEU N N 51 127.000 128.868 -1.868 1
1 669 . 8 1 1 A 52 52 GLN H H 52 9.110 8.462 0.648 1
1 670 . 8 1 1 A 52 52 GLN HA H 52 4.590 4.633 -0.043 1
1 677 . 8 1 1 A 52 52 GLN C C 52 175.000 175.620 -0.620 1
1 678 . 8 1 1 A 52 52 GLN CA C 52 56.800 56.002 0.798 1
1 679 . 8 1 1 A 52 52 GLN CB C 52 29.200 29.072 0.128 1
1 682 . 8 1 1 A 52 52 GLN N N 52 122.700 123.514 -0.814 1
1 684 . 8 1 1 A 53 53 THR H H 53 9.110 8.808 0.302 1
1 685 . 8 1 1 A 53 53 THR HA H 53 4.730 5.347 -0.617 1
1 690 . 8 1 1 A 53 53 THR C C 53 172.500 172.955 -0.455 1
1 691 . 8 1 1 A 53 53 THR CA C 53 60.500 60.763 -0.263 1
1 692 . 8 1 1 A 53 53 THR CB C 53 69.800 70.090 -0.290 1
1 694 . 8 1 1 A 53 53 THR N N 53 121.500 117.437 4.063 1
1 695 . 8 1 1 A 54 54 ASN H H 54 8.210 9.184 -0.974 1
1 696 . 8 1 1 A 54 54 ASN HA H 54 5.400 5.218 0.182 1
1 701 . 8 1 1 A 54 54 ASN C C 54 172.900 173.559 -0.659 1
1 702 . 8 1 1 A 54 54 ASN CA C 54 52.400 51.813 0.587 1
1 703 . 8 1 1 A 54 54 ASN CB C 54 40.900 39.335 1.565 1
1 705 . 8 1 1 A 54 54 ASN N N 54 125.400 126.290 -0.890 1
1 707 . 8 1 1 A 55 55 THR H H 55 8.510 8.663 -0.153 1
1 708 . 8 1 1 A 55 55 THR HA H 55 5.120 4.785 0.335 1
1 713 . 8 1 1 A 55 55 THR C C 55 172.800 173.445 -0.645 1
1 714 . 8 1 1 A 55 55 THR CA C 55 61.400 62.456 -1.056 1
1 715 . 8 1 1 A 55 55 THR CB C 55 69.700 69.998 -0.298 1
1 717 . 8 1 1 A 55 55 THR N N 55 119.300 119.365 -0.065 1
1 718 . 8 1 1 A 56 56 TYR H H 56 8.460 9.411 -0.951 1
1 719 . 8 1 1 A 56 56 TYR HA H 56 5.260 5.829 -0.569 1
1 726 . 8 1 1 A 56 56 TYR C C 56 173.400 174.688 -1.288 1
1 727 . 8 1 1 A 56 56 TYR CA C 56 57.500 56.364 1.136 1
1 728 . 8 1 1 A 56 56 TYR CB C 56 41.400 41.285 0.115 1
1 733 . 8 1 1 A 56 56 TYR N N 56 125.400 126.126 -0.726 1
1 734 . 8 1 1 A 57 57 TYR H H 57 8.450 8.584 -0.134 1
1 735 . 8 1 1 A 57 57 TYR HA H 57 4.530 5.763 -1.233 1
1 742 . 8 1 1 A 57 57 TYR C C 57 172.400 173.652 -1.252 1
1 743 . 8 1 1 A 57 57 TYR CA C 57 56.600 55.513 1.087 1
1 744 . 8 1 1 A 57 57 TYR CB C 57 41.700 42.081 -0.381 1
1 749 . 8 1 1 A 57 57 TYR N N 57 113.900 120.504 -6.604 1
1 750 . 8 1 1 A 58 58 SER H H 58 7.100 8.557 -1.457 1
1 751 . 8 1 1 A 58 58 SER HA H 58 4.750 4.962 -0.212 1
1 754 . 8 1 1 A 58 58 SER C C 58 173.800 174.555 -0.755 1
1 755 . 8 1 1 A 58 58 SER CA C 58 56.600 56.097 0.503 1
1 756 . 8 1 1 A 58 58 SER CB C 58 65.600 66.638 -1.038 1
1 757 . 8 1 1 A 58 58 SER N N 58 114.200 116.756 -2.556 1
1 758 . 8 1 1 A 59 59 ASP H H 59 9.140 9.089 0.051 1
1 759 . 8 1 1 A 59 59 ASP HA H 59 4.550 4.433 0.117 1
1 762 . 8 1 1 A 59 59 ASP C C 59 179.000 178.653 0.347 1
1 763 . 8 1 1 A 59 59 ASP CA C 59 58.500 57.009 1.491 1
1 764 . 8 1 1 A 59 59 ASP CB C 59 40.400 39.626 0.774 1
1 765 . 8 1 1 A 59 59 ASP N N 59 121.800 120.322 1.478 1
1 766 . 8 1 1 A 60 60 THR H H 60 9.060 8.085 0.975 1
1 767 . 8 1 1 A 60 60 THR HA H 60 4.000 3.994 0.006 1
1 772 . 8 1 1 A 60 60 THR C C 60 178.000 177.443 0.557 1
1 773 . 8 1 1 A 60 60 THR CA C 60 67.300 65.484 1.816 1
1 774 . 8 1 1 A 60 60 THR CB C 60 67.300 68.414 -1.114 1
1 776 . 8 1 1 A 60 60 THR N N 60 114.800 113.021 1.779 1
1 777 . 8 1 1 A 61 61 LEU H H 61 7.950 7.964 -0.014 1
1 778 . 8 1 1 A 61 61 LEU HA H 61 3.610 3.667 -0.057 1
1 788 . 8 1 1 A 61 61 LEU C C 61 178.900 178.929 -0.029 1
1 789 . 8 1 1 A 61 61 LEU CA C 61 58.600 57.572 1.028 1
1 790 . 8 1 1 A 61 61 LEU CB C 61 39.500 41.550 -2.050 1
1 794 . 8 1 1 A 61 61 LEU N N 61 126.100 122.578 3.522 1
1 795 . 8 1 1 A 62 62 HIS H H 62 8.260 8.444 -0.184 1
1 796 . 8 1 1 A 62 62 HIS HA H 62 4.470 3.802 0.668 1
1 800 . 8 1 1 A 62 62 HIS C C 62 178.900 176.759 2.141 1
1 801 . 8 1 1 A 62 62 HIS CA C 62 58.600 60.224 -1.624 1
1 802 . 8 1 1 A 62 62 HIS CB C 62 29.500 29.969 -0.469 1
1 804 . 8 1 1 A 62 62 HIS N N 62 116.000 117.724 -1.724 1
1 805 . 8 1 1 A 63 63 LYS H H 63 7.790 7.940 -0.150 1
1 806 . 8 1 1 A 63 63 LYS HA H 63 3.960 3.843 0.117 1
1 815 . 8 1 1 A 63 63 LYS C C 63 177.900 178.485 -0.585 1
1 816 . 8 1 1 A 63 63 LYS CA C 63 59.200 59.394 -0.194 1
1 817 . 8 1 1 A 63 63 LYS CB C 63 32.400 32.182 0.218 1
1 821 . 8 1 1 A 63 63 LYS N N 63 119.100 119.445 -0.345 1
1 822 . 8 1 1 A 64 64 SER H H 64 7.580 7.670 -0.090 1
1 823 . 8 1 1 A 64 64 SER HA H 64 4.260 4.218 0.042 1
1 826 . 8 1 1 A 64 64 SER C C 64 172.100 174.259 -2.159 1
1 827 . 8 1 1 A 64 64 SER CA C 64 59.300 58.667 0.633 1
1 828 . 8 1 1 A 64 64 SER CB C 64 63.600 63.566 0.034 1
1 829 . 8 1 1 A 64 64 SER N N 64 112.470 112.842 -0.372 1
1 830 . 8 1 1 A 65 65 ASN H H 65 7.760 7.692 0.068 1
1 831 . 8 1 1 A 65 65 ASN HA H 65 3.870 4.084 -0.214 1
1 836 . 8 1 1 A 65 65 ASN C C 65 171.100 173.683 -2.583 1
1 837 . 8 1 1 A 65 65 ASN CA C 65 54.300 54.447 -0.147 1
1 838 . 8 1 1 A 65 65 ASN CB C 65 37.500 36.625 0.875 1
1 840 . 8 1 1 A 65 65 ASN N N 65 117.600 115.289 2.311 1
1 842 . 8 1 1 A 66 66 ILE H H 66 6.820 7.126 -0.306 1
1 843 . 8 1 1 A 66 66 ILE HA H 66 4.590 4.811 -0.221 1
1 853 . 8 1 1 A 66 66 ILE C C 66 174.000 173.921 0.079 1
1 854 . 8 1 1 A 66 66 ILE CA C 66 58.200 60.036 -1.836 1
1 855 . 8 1 1 A 66 66 ILE CB C 66 40.200 40.771 -0.571 1
1 859 . 8 1 1 A 66 66 ILE N N 66 113.900 118.017 -4.117 1
1 860 . 8 1 1 A 67 67 TYR H H 67 8.530 8.353 0.177 1
1 861 . 8 1 1 A 67 67 TYR HA H 67 5.050 5.168 -0.118 1
1 868 . 8 1 1 A 67 67 TYR CA C 67 54.000 55.080 -1.080 1
1 869 . 8 1 1 A 67 67 TYR CB C 67 39.400 39.152 0.248 1
1 874 . 8 1 1 A 67 67 TYR N N 67 120.200 126.093 -5.893 1
1 875 . 8 1 1 A 68 68 PRO HA H 68 5.120 5.231 -0.111 1
1 882 . 8 1 1 A 68 68 PRO C C 68 174.600 176.970 -2.370 1
1 883 . 8 1 1 A 68 68 PRO CA C 68 61.500 62.715 -1.215 1
1 884 . 8 1 1 A 68 68 PRO CB C 68 32.200 32.510 -0.310 1
1 887 . 8 1 1 A 69 69 PHE H H 69 8.870 8.677 0.193 1
1 888 . 8 1 1 A 69 69 PHE HA H 69 6.330 5.554 0.776 1
1 896 . 8 1 1 A 69 69 PHE C C 69 173.000 172.692 0.308 1
1 897 . 8 1 1 A 69 69 PHE CA C 69 56.300 56.399 -0.099 1
1 898 . 8 1 1 A 69 69 PHE CB C 69 42.900 41.758 1.142 1
1 903 . 8 1 1 A 69 69 PHE N N 69 118.400 118.171 0.229 1
1 904 . 8 1 1 A 70 70 ILE H H 70 9.060 8.662 0.398 1
1 905 . 8 1 1 A 70 70 ILE HA H 70 4.840 4.728 0.112 1
1 915 . 8 1 1 A 70 70 ILE C C 70 175.700 174.668 1.032 1
1 916 . 8 1 1 A 70 70 ILE CA C 70 61.900 59.703 2.197 1
1 917 . 8 1 1 A 70 70 ILE CB C 70 43.000 42.480 0.520 1
1 921 . 8 1 1 A 70 70 ILE N N 70 117.700 120.799 -3.099 1
1 922 . 8 1 1 A 71 71 LEU H H 71 9.320 8.588 0.732 1
1 923 . 8 1 1 A 71 71 LEU HA H 71 5.720 5.381 0.339 1
1 933 . 8 1 1 A 71 71 LEU C C 71 175.600 175.566 0.034 1
1 934 . 8 1 1 A 71 71 LEU CA C 71 52.400 53.898 -1.498 1
1 935 . 8 1 1 A 71 71 LEU CB C 71 43.700 43.377 0.323 1
1 939 . 8 1 1 A 71 71 LEU N N 71 124.800 126.048 -1.248 1
1 940 . 8 1 1 A 72 72 TYR H H 72 9.250 8.986 0.264 1
1 941 . 8 1 1 A 72 72 TYR HA H 72 5.350 5.327 0.023 1
1 948 . 8 1 1 A 72 72 TYR C C 72 174.100 174.800 -0.700 1
1 949 . 8 1 1 A 72 72 TYR CA C 72 57.300 56.906 0.394 1
1 950 . 8 1 1 A 72 72 TYR CB C 72 44.500 42.805 1.695 1
1 955 . 8 1 1 A 72 72 TYR N N 72 120.700 122.420 -1.720 1
1 956 . 8 1 1 A 73 73 TYR H H 73 9.250 9.158 0.092 1
1 957 . 8 1 1 A 73 73 TYR HA H 73 5.110 4.974 0.136 1
1 964 . 8 1 1 A 73 73 TYR C C 73 174.500 174.814 -0.314 1
1 965 . 8 1 1 A 73 73 TYR CA C 73 56.500 57.865 -1.365 1
1 966 . 8 1 1 A 73 73 TYR CB C 73 40.400 41.654 -1.254 1
1 971 . 8 1 1 A 73 73 TYR N N 73 120.300 123.559 -3.259 1
1 972 . 8 1 1 A 74 74 GLN H H 74 9.310 9.062 0.248 1
1 973 . 8 1 1 A 74 74 GLN HA H 74 3.530 3.792 -0.262 1
1 980 . 8 1 1 A 74 74 GLN C C 74 175.400 174.802 0.598 1
1 981 . 8 1 1 A 74 74 GLN CA C 74 57.200 56.559 0.641 1
1 982 . 8 1 1 A 74 74 GLN CB C 74 25.500 27.335 -1.835 1
1 985 . 8 1 1 A 74 74 GLN N N 74 126.000 126.799 -0.799 1
1 987 . 8 1 1 A 75 75 LYS H H 75 8.530 8.466 0.064 1
1 988 . 8 1 1 A 75 75 LYS HA H 75 3.820 3.789 0.031 1
1 997 . 8 1 1 A 75 75 LYS C C 75 175.500 175.109 0.391 1
1 998 . 8 1 1 A 75 75 LYS CA C 75 57.300 57.211 0.089 1
1 999 . 8 1 1 A 75 75 LYS CB C 75 30.900 30.060 0.840 1
1 1003 . 8 1 1 A 75 75 LYS N N 75 113.600 111.903 1.697 1
1 1004 . 8 1 1 A 76 76 GLN H H 76 8.550 7.845 0.705 1
1 1005 . 8 1 1 A 76 76 GLN HA H 76 4.470 4.690 -0.220 1
1 1012 . 8 1 1 A 76 76 GLN C C 76 175.400 173.750 1.650 1
1 1013 . 8 1 1 A 76 76 GLN CA C 76 54.700 55.700 -1.000 1
1 1014 . 8 1 1 A 76 76 GLN CB C 76 29.900 32.663 -2.763 1
1 1017 . 8 1 1 A 76 76 GLN N N 76 122.200 118.041 4.159 1
1 1019 . 8 1 1 A 77 77 LEU H H 77 8.860 8.895 -0.035 1
1 1020 . 8 1 1 A 77 77 LEU HA H 77 3.940 4.578 -0.638 1
1 1030 . 8 1 1 A 77 77 LEU C C 77 175.300 176.353 -1.053 1
1 1031 . 8 1 1 A 77 77 LEU CA C 77 56.800 55.395 1.405 1
1 1032 . 8 1 1 A 77 77 LEU CB C 77 41.800 42.927 -1.127 1
1 1036 . 8 1 1 A 77 77 LEU N N 77 128.900 126.759 2.141 1
1 1037 . 8 1 1 A 78 78 ILE H H 78 8.880 8.823 0.057 1
1 1038 . 8 1 1 A 78 78 ILE HA H 78 4.810 4.508 0.302 1
1 1048 . 8 1 1 A 78 78 ILE C C 78 174.600 175.965 -1.365 1
1 1049 . 8 1 1 A 78 78 ILE CA C 78 58.300 62.571 -4.271 1
1 1050 . 8 1 1 A 78 78 ILE CB C 78 38.270 38.639 -0.369 1
1 1054 . 8 1 1 A 78 78 ILE N N 78 126.900 127.963 -1.063 1
1 1055 . 8 1 1 A 79 79 ALA H H 79 7.940 7.514 0.426 1
1 1056 . 8 1 1 A 79 79 ALA HA H 79 5.390 4.975 0.415 1
1 1060 . 8 1 1 A 79 79 ALA C C 79 175.300 175.142 0.158 1
1 1061 . 8 1 1 A 79 79 ALA CA C 79 51.600 51.609 -0.009 1
1 1062 . 8 1 1 A 79 79 ALA CB C 79 24.000 22.634 1.366 1
1 1063 . 8 1 1 A 79 79 ALA N N 79 115.000 118.370 -3.370 1
1 1064 . 8 1 1 A 80 80 ILE H H 80 8.580 8.280 0.300 1
1 1065 . 8 1 1 A 80 80 ILE HA H 80 4.840 5.090 -0.250 1
1 1075 . 8 1 1 A 80 80 ILE C C 80 175.000 175.928 -0.928 1
1 1076 . 8 1 1 A 80 80 ILE CA C 80 60.300 59.498 0.802 1
1 1077 . 8 1 1 A 80 80 ILE CB C 80 42.800 41.360 1.440 1
1 1081 . 8 1 1 A 80 80 ILE N N 80 117.900 120.425 -2.525 1
1 1082 . 8 1 1 A 81 81 GLY H H 81 8.200 7.474 0.726 1
1 1083 . 8 1 1 A 81 81 GLY HA2 H 81 3.750 4.032 -0.282 1
1 1084 . 8 1 1 A 81 81 GLY HA3 H 81 4.070 4.148 -0.078 1
1 1085 . 8 1 1 A 81 81 GLY C C 81 169.100 171.841 -2.741 1
1 1086 . 8 1 1 A 81 81 GLY CA C 81 46.600 45.411 1.189 1
1 1087 . 8 1 1 A 81 81 GLY N N 81 116.400 112.201 4.199 1
1 1088 . 8 1 1 A 82 82 PHE H H 82 8.210 8.127 0.083 1
1 1089 . 8 1 1 A 82 82 PHE HA H 82 5.340 5.497 -0.157 1
1 1094 . 8 1 1 A 82 82 PHE C C 82 172.400 172.349 0.051 1
1 1095 . 8 1 1 A 82 82 PHE CA C 82 56.300 55.795 0.505 1
1 1096 . 8 1 1 A 82 82 PHE CB C 82 40.100 41.975 -1.875 1
1 1099 . 8 1 1 A 82 82 PHE N N 82 114.500 113.855 0.645 1
1 1100 . 8 1 1 A 83 83 ILE H H 83 8.490 9.312 -0.822 1
1 1101 . 8 1 1 A 83 83 ILE HA H 83 4.740 4.756 -0.016 1
1 1111 . 8 1 1 A 83 83 ILE C C 83 175.200 175.585 -0.385 1
1 1112 . 8 1 1 A 83 83 ILE CA C 83 60.400 60.277 0.123 1
1 1113 . 8 1 1 A 83 83 ILE CB C 83 39.500 39.266 0.234 1
1 1117 . 8 1 1 A 83 83 ILE N N 83 123.400 120.715 2.685 1
1 1118 . 8 1 1 A 84 84 ASP H H 84 8.550 8.672 -0.122 1
1 1119 . 8 1 1 A 84 84 ASP HA H 84 5.170 5.095 0.075 1
1 1122 . 8 1 1 A 84 84 ASP C C 84 178.600 178.044 0.556 1
1 1123 . 8 1 1 A 84 84 ASP CA C 84 52.200 53.499 -1.299 1
1 1124 . 8 1 1 A 84 84 ASP CB C 84 42.400 42.054 0.346 1
1 1125 . 8 1 1 A 84 84 ASP N N 84 126.900 126.994 -0.094 1
1 1126 . 8 1 1 A 85 85 GLU H H 85 9.250 9.060 0.190 1
1 1127 . 8 1 1 A 85 85 GLU HA H 85 4.350 4.124 0.226 1
1 1132 . 8 1 1 A 85 85 GLU C C 85 176.800 177.838 -1.038 1
1 1133 . 8 1 1 A 85 85 GLU CA C 85 58.400 59.433 -1.033 1
1 1134 . 8 1 1 A 85 85 GLU CB C 85 28.700 29.382 -0.682 1
1 1136 . 8 1 1 A 85 85 GLU N N 85 118.000 122.457 -4.457 1
1 1137 . 8 1 1 A 86 86 ASN H H 86 8.280 7.867 0.413 1
1 1138 . 8 1 1 A 86 86 ASN HA H 86 4.760 4.930 -0.170 1
1 1143 . 8 1 1 A 86 86 ASN C C 86 174.600 175.095 -0.495 1
1 1144 . 8 1 1 A 86 86 ASN CA C 86 52.800 52.408 0.392 1
1 1145 . 8 1 1 A 86 86 ASN CB C 86 38.900 38.470 0.430 1
1 1147 . 8 1 1 A 86 86 ASN N N 86 118.300 117.901 0.399 1
1 1149 . 8 1 1 A 87 87 HIS H H 87 8.570 7.957 0.613 1
1 1150 . 8 1 1 A 87 87 HIS HA H 87 3.940 4.159 -0.219 1
1 1154 . 8 1 1 A 87 87 HIS C C 87 173.600 174.545 -0.945 1
1 1155 . 8 1 1 A 87 87 HIS CA C 87 57.000 57.010 -0.010 1
1 1156 . 8 1 1 A 87 87 HIS CB C 87 26.700 28.657 -1.957 1
1 1158 . 8 1 1 A 87 87 HIS N N 87 114.000 117.709 -3.709 1
1 1159 . 8 1 1 A 88 88 ASP H H 88 8.210 7.825 0.385 1
1 1160 . 8 1 1 A 88 88 ASP HA H 88 4.840 4.697 0.143 1
1 1163 . 8 1 1 A 88 88 ASP C C 88 174.800 175.216 -0.416 1
1 1164 . 8 1 1 A 88 88 ASP CA C 88 53.900 53.759 0.141 1
1 1165 . 8 1 1 A 88 88 ASP CB C 88 41.500 41.427 0.073 1
1 1166 . 8 1 1 A 88 88 ASP N N 88 120.300 120.333 -0.033 1
1 1167 . 8 1 1 A 89 89 MET H H 89 8.550 8.354 0.196 1
1 1168 . 8 1 1 A 89 89 MET HA H 89 4.450 4.602 -0.152 1
1 1176 . 8 1 1 A 89 89 MET C C 89 173.400 175.016 -1.616 1
1 1177 . 8 1 1 A 89 89 MET CA C 89 55.800 53.937 1.863 1
1 1178 . 8 1 1 A 89 89 MET CB C 89 34.700 31.607 3.093 1
1 1181 . 8 1 1 A 89 89 MET N N 89 120.400 126.068 -5.668 1
1 1182 . 8 1 1 A 90 90 ASP H H 90 8.420 8.011 0.409 1
1 1183 . 8 1 1 A 90 90 ASP HA H 90 4.580 4.794 -0.214 1
1 1186 . 8 1 1 A 90 90 ASP C C 90 174.600 174.468 0.132 1
1 1187 . 8 1 1 A 90 90 ASP CA C 90 52.300 52.183 0.117 1
1 1188 . 8 1 1 A 90 90 ASP CB C 90 41.800 43.006 -1.206 1
1 1189 . 8 1 1 A 90 90 ASP N N 90 126.900 123.586 3.314 1
1 1190 . 8 1 1 A 91 91 PHE H H 91 8.350 8.673 -0.323 1
1 1191 . 8 1 1 A 91 91 PHE HA H 91 4.780 5.153 -0.373 1
1 1199 . 8 1 1 A 91 91 PHE C C 91 175.600 175.276 0.324 1
1 1200 . 8 1 1 A 91 91 PHE CA C 91 58.200 56.150 2.050 1
1 1201 . 8 1 1 A 91 91 PHE CB C 91 41.400 40.533 0.867 1
1 1207 . 8 1 1 A 91 91 PHE N N 91 118.600 122.174 -3.574 1
1 1208 . 8 1 1 A 92 92 LEU H H 92 9.060 8.743 0.317 1
1 1209 . 8 1 1 A 92 92 LEU HA H 92 4.330 4.482 -0.152 1
1 1219 . 8 1 1 A 92 92 LEU C C 92 175.700 176.648 -0.948 1
1 1220 . 8 1 1 A 92 92 LEU CA C 92 55.200 55.600 -0.400 1
1 1221 . 8 1 1 A 92 92 LEU CB C 92 43.500 42.790 0.710 1
1 1225 . 8 1 1 A 92 92 LEU N N 92 121.100 124.947 -3.847 1
1 1226 . 8 1 1 A 93 93 TYR H H 93 7.970 7.627 0.343 1
1 1227 . 8 1 1 A 93 93 TYR HA H 93 4.780 4.897 -0.117 1
1 1234 . 8 1 1 A 93 93 TYR C C 93 172.800 173.037 -0.237 1
1 1235 . 8 1 1 A 93 93 TYR CA C 93 57.600 58.153 -0.553 1
1 1236 . 8 1 1 A 93 93 TYR CB C 93 42.500 41.016 1.484 1
1 1241 . 8 1 1 A 93 93 TYR N N 93 118.600 117.692 0.908 1
1 1242 . 8 1 1 A 94 94 LEU H H 94 8.220 8.598 -0.378 1
1 1243 . 8 1 1 A 94 94 LEU HA H 94 5.060 4.981 0.079 1
1 1253 . 8 1 1 A 94 94 LEU C C 94 171.900 174.757 -2.857 1
1 1254 . 8 1 1 A 94 94 LEU CA C 94 55.100 53.309 1.791 1
1 1255 . 8 1 1 A 94 94 LEU CB C 94 44.800 44.891 -0.091 1
1 1259 . 8 1 1 A 94 94 LEU N N 94 128.600 129.892 -1.292 1
1 1260 . 8 1 1 A 95 95 HIS H H 95 9.720 8.884 0.836 1
1 1261 . 8 1 1 A 95 95 HIS HA H 95 4.570 4.874 -0.304 1
1 1266 . 8 1 1 A 95 95 HIS C C 95 173.100 173.327 -0.227 1
1 1267 . 8 1 1 A 95 95 HIS CA C 95 55.500 55.264 0.236 1
1 1268 . 8 1 1 A 95 95 HIS CB C 95 35.900 32.719 3.181 1
1 1271 . 8 1 1 A 95 95 HIS N N 95 133.000 125.661 7.339 1
1 1272 . 8 1 1 A 96 96 ASN H H 96 7.670 8.414 -0.744 1
1 1273 . 8 1 1 A 96 96 ASN HA H 96 4.930 4.946 -0.016 1
1 1278 . 8 1 1 A 96 96 ASN C C 96 176.100 174.481 1.619 1
1 1279 . 8 1 1 A 96 96 ASN CA C 96 51.000 51.889 -0.889 1
1 1280 . 8 1 1 A 96 96 ASN CB C 96 38.500 39.767 -1.267 1
1 1281 . 8 1 1 A 96 96 ASN N N 96 118.600 124.924 -6.324 1
1 1283 . 8 1 1 A 97 97 THR H H 97 10.580 8.362 2.218 1
1 1284 . 8 1 1 A 97 97 THR HA H 97 4.090 4.218 -0.128 1
1 1289 . 8 1 1 A 97 97 THR C C 97 174.600 174.475 0.125 1
1 1290 . 8 1 1 A 97 97 THR CA C 97 67.000 62.833 4.167 1
1 1291 . 8 1 1 A 97 97 THR CB C 97 68.300 68.398 -0.098 1
1 1293 . 8 1 1 A 97 97 THR N N 97 116.300 113.585 2.715 1
1 1294 . 8 1 1 A 98 98 VAL H H 98 8.440 8.794 -0.354 1
1 1295 . 8 1 1 A 98 98 VAL HA H 98 4.180 3.667 0.513 1
1 1303 . 8 1 1 A 98 98 VAL C C 98 174.800 174.324 0.476 1
1 1304 . 8 1 1 A 98 98 VAL CA C 98 64.400 62.968 1.432 1
1 1305 . 8 1 1 A 98 98 VAL CB C 98 33.100 29.846 3.254 1
1 1308 . 8 1 1 A 98 98 VAL N N 98 123.900 119.490 4.410 1
1 1309 . 8 1 1 A 99 99 MET H H 99 8.590 7.401 1.189 1
1 1310 . 8 1 1 A 99 99 MET HA H 99 4.720 4.707 0.013 1
1 1318 . 8 1 1 A 99 99 MET CA C 99 52.400 53.641 -1.241 1
1 1319 . 8 1 1 A 99 99 MET CB C 99 34.100 32.797 1.303 1
1 1322 . 8 1 1 A 99 99 MET N N 99 118.700 119.426 -0.726 1
1 1323 . 8 1 1 A 100 100 PRO HA H 100 4.210 4.275 -0.065 1
1 1330 . 8 1 1 A 100 100 PRO C C 100 175.900 176.117 -0.217 1
1 1331 . 8 1 1 A 100 100 PRO CA C 100 62.100 62.965 -0.865 1
1 1332 . 8 1 1 A 100 100 PRO CB C 100 31.000 31.852 -0.852 1
1 1335 . 8 1 1 A 101 101 LEU H H 101 9.010 8.680 0.330 1
1 1336 . 8 1 1 A 101 101 LEU HA H 101 4.310 4.313 -0.003 1
1 1346 . 8 1 1 A 101 101 LEU C C 101 176.900 177.034 -0.134 1
1 1347 . 8 1 1 A 101 101 LEU CA C 101 55.000 55.598 -0.598 1
1 1348 . 8 1 1 A 101 101 LEU CB C 101 42.800 42.656 0.144 1
1 1352 . 8 1 1 A 101 101 LEU N N 101 124.000 119.680 4.320 1
1 1353 . 8 1 1 A 102 102 LEU H H 102 7.620 7.926 -0.306 1
1 1354 . 8 1 1 A 102 102 LEU HA H 102 4.360 4.895 -0.535 1
1 1364 . 8 1 1 A 102 102 LEU C C 102 174.800 174.805 -0.005 1
1 1365 . 8 1 1 A 102 102 LEU CA C 102 54.900 53.789 1.111 1
1 1366 . 8 1 1 A 102 102 LEU CB C 102 45.300 44.890 0.410 1
1 1370 . 8 1 1 A 102 102 LEU N N 102 119.000 119.809 -0.809 1
1 1371 . 8 1 1 A 103 103 ASP H H 103 9.120 8.925 0.195 1
1 1372 . 8 1 1 A 103 103 ASP HA H 103 5.100 5.113 -0.013 1
1 1375 . 8 1 1 A 103 103 ASP C C 103 174.500 174.495 0.005 1
1 1376 . 8 1 1 A 103 103 ASP CA C 103 54.900 53.120 1.780 1
1 1377 . 8 1 1 A 103 103 ASP CB C 103 41.000 41.952 -0.952 1
1 1378 . 8 1 1 A 103 103 ASP N N 103 120.700 126.116 -5.416 1
1 1379 . 8 1 1 A 104 104 GLN H H 104 8.990 8.374 0.616 1
1 1380 . 8 1 1 A 104 104 GLN HA H 104 4.710 4.681 0.029 1
1 1387 . 8 1 1 A 104 104 GLN C C 104 176.100 176.088 0.012 1
1 1388 . 8 1 1 A 104 104 GLN CA C 104 54.100 55.066 -0.966 1
1 1389 . 8 1 1 A 104 104 GLN CB C 104 28.500 29.768 -1.268 1
1 1392 . 8 1 1 A 104 104 GLN N N 104 125.400 123.605 1.795 1
1 1394 . 8 1 1 A 105 105 ARG H H 105 8.380 9.046 -0.666 1
1 1395 . 8 1 1 A 105 105 ARG HA H 105 3.510 3.974 -0.464 1
1 1402 . 8 1 1 A 105 105 ARG C C 105 177.500 178.061 -0.561 1
1 1403 . 8 1 1 A 105 105 ARG CA C 105 60.200 59.660 0.540 1
1 1404 . 8 1 1 A 105 105 ARG CB C 105 29.400 29.691 -0.291 1
1 1407 . 8 1 1 A 105 105 ARG N N 105 117.700 126.544 -8.844 1
1 1408 . 8 1 1 A 106 106 TYR H H 106 7.800 8.352 -0.552 1
1 1409 . 8 1 1 A 106 106 TYR HA H 106 4.360 4.433 -0.073 1
1 1416 . 8 1 1 A 106 106 TYR C C 106 176.800 178.368 -1.568 1
1 1417 . 8 1 1 A 106 106 TYR CA C 106 58.600 60.404 -1.804 1
1 1418 . 8 1 1 A 106 106 TYR CB C 106 36.000 38.236 -2.236 1
1 1423 . 8 1 1 A 106 106 TYR N N 106 118.100 119.499 -1.399 1
1 1424 . 8 1 1 A 107 107 LEU H H 107 7.170 8.197 -1.027 1
1 1425 . 8 1 1 A 107 107 LEU HA H 107 3.970 4.177 -0.207 1
1 1435 . 8 1 1 A 107 107 LEU C C 107 178.300 178.244 0.056 1
1 1436 . 8 1 1 A 107 107 LEU CA C 107 56.600 58.137 -1.537 1
1 1437 . 8 1 1 A 107 107 LEU CB C 107 41.800 41.796 0.004 1
1 1441 . 8 1 1 A 107 107 LEU N N 107 121.900 121.350 0.550 1
1 1442 . 8 1 1 A 108 108 LEU H H 108 7.680 7.799 -0.119 1
1 1443 . 8 1 1 A 108 108 LEU HA H 108 4.070 3.780 0.290 1
1 1453 . 8 1 1 A 108 108 LEU C C 108 177.500 178.272 -0.772 1
1 1454 . 8 1 1 A 108 108 LEU CA C 108 55.400 58.230 -2.830 1
1 1455 . 8 1 1 A 108 108 LEU CB C 108 41.500 41.747 -0.247 1
1 1459 . 8 1 1 A 108 108 LEU N N 108 115.400 120.087 -4.687 1
1 1460 . 8 1 1 A 109 109 THR H H 109 7.510 7.846 -0.336 1
1 1461 . 8 1 1 A 109 109 THR HA H 109 4.310 4.549 -0.239 1
1 1466 . 8 1 1 A 109 109 THR C C 109 175.300 175.102 0.198 1
1 1467 . 8 1 1 A 109 109 THR CA C 109 61.600 62.278 -0.678 1
1 1468 . 8 1 1 A 109 109 THR CB C 109 69.500 69.019 0.481 1
1 1470 . 8 1 1 A 109 109 THR N N 109 108.800 110.453 -1.653 1
1 1471 . 8 1 1 A 110 110 GLY H H 110 8.010 8.269 -0.259 1
1 1472 . 8 1 1 A 110 110 GLY HA2 H 110 3.950 3.990 -0.040 1
1 1473 . 8 1 1 A 110 110 GLY HA3 H 110 4.030 4.054 -0.024 1
1 1474 . 8 1 1 A 110 110 GLY C C 110 174.500 174.554 -0.054 1
1 1475 . 8 1 1 A 110 110 GLY CA C 110 45.400 46.489 -1.089 1
1 1476 . 8 1 1 A 110 110 GLY N N 110 110.100 109.768 0.332 1
1 1477 . 8 1 1 A 111 111 GLY H H 111 8.310 8.723 -0.413 1
1 1478 . 8 1 1 A 111 111 GLY HA2 H 111 3.930 4.082 -0.152 1
1 1479 . 8 1 1 A 111 111 GLY HA3 H 111 3.930 4.109 -0.179 1
1 1480 . 8 1 1 A 111 111 GLY C C 111 173.700 173.127 0.573 1
1 1481 . 8 1 1 A 111 111 GLY CA C 111 45.400 44.184 1.216 1
1 1482 . 8 1 1 A 111 111 GLY N N 111 108.300 112.610 -4.310 1
1 1483 . 8 1 1 A 112 112 GLN H H 112 8.280 8.295 -0.015 1
1 1484 . 8 1 1 A 112 112 GLN HA H 112 4.270 4.110 0.160 1
1 1491 . 8 1 1 A 112 112 GLN C C 112 175.700 175.284 0.416 1
1 1492 . 8 1 1 A 112 112 GLN CA C 112 55.600 55.902 -0.302 1
1 1493 . 8 1 1 A 112 112 GLN CB C 112 29.200 28.820 0.380 1
1 1496 . 8 1 1 A 112 112 GLN N N 112 119.200 117.632 1.568 1
1 1498 . 8 1 1 A 113 113 LEU H H 113 8.260 8.571 -0.311 1
1 1499 . 8 1 1 A 113 113 LEU HA H 113 4.180 4.322 -0.142 1
1 1509 . 8 1 1 A 113 113 LEU C C 113 177.000 176.597 0.403 1
1 1510 . 8 1 1 A 113 113 LEU CA C 113 55.100 54.937 0.163 1
1 1511 . 8 1 1 A 113 113 LEU CB C 113 42.100 42.280 -0.180 1
1 1515 . 8 1 1 A 113 113 LEU N N 113 122.800 123.160 -0.360 1
1 1516 . 8 1 1 A 114 114 GLU H H 114 8.290 8.790 -0.500 1
1 1517 . 8 1 1 A 114 114 GLU HA H 114 4.140 4.534 -0.394 1
1 1522 . 8 1 1 A 114 114 GLU CA C 114 56.300 57.792 -1.492 1
1 1523 . 8 1 1 A 114 114 GLU CB C 114 30.200 32.454 -2.254 1
1 1 . 9 1 1 A 2 2 THR HA H 2 4.300 4.345 -0.045 1
1 6 . 9 1 1 A 2 2 THR C C 2 174.800 175.994 -1.194 1
1 7 . 9 1 1 A 2 2 THR CA C 2 61.100 62.405 -1.305 1
1 8 . 9 1 1 A 2 2 THR CB C 2 70.400 69.305 1.095 1
1 10 . 9 1 1 A 3 3 LEU H H 3 8.760 7.706 1.054 1
1 11 . 9 1 1 A 3 3 LEU HA H 3 4.110 3.900 0.210 1
1 21 . 9 1 1 A 3 3 LEU C C 3 178.300 179.078 -0.778 1
1 22 . 9 1 1 A 3 3 LEU CA C 3 57.800 57.795 0.005 1
1 23 . 9 1 1 A 3 3 LEU CB C 3 41.600 41.128 0.472 1
1 27 . 9 1 1 A 3 3 LEU N N 3 123.600 122.301 1.299 1
1 28 . 9 1 1 A 4 4 GLU H H 4 8.740 8.238 0.502 1
1 29 . 9 1 1 A 4 4 GLU HA H 4 3.670 4.039 -0.369 1
1 34 . 9 1 1 A 4 4 GLU C C 4 177.900 179.045 -1.145 1
1 35 . 9 1 1 A 4 4 GLU CA C 4 60.000 58.959 1.041 1
1 36 . 9 1 1 A 4 4 GLU CB C 4 29.200 29.312 -0.112 1
1 38 . 9 1 1 A 4 4 GLU N N 4 116.500 117.989 -1.489 1
1 39 . 9 1 1 A 5 5 LEU H H 5 7.340 8.497 -1.157 1
1 40 . 9 1 1 A 5 5 LEU HA H 5 3.900 4.054 -0.154 1
1 50 . 9 1 1 A 5 5 LEU C C 5 178.900 179.369 -0.469 1
1 51 . 9 1 1 A 5 5 LEU CA C 5 56.900 58.093 -1.193 1
1 52 . 9 1 1 A 5 5 LEU CB C 5 41.200 41.227 -0.027 1
1 56 . 9 1 1 A 5 5 LEU N N 5 120.500 121.149 -0.649 1
1 57 . 9 1 1 A 6 6 GLN H H 6 8.350 7.795 0.555 1
1 58 . 9 1 1 A 6 6 GLN HA H 6 3.970 4.117 -0.147 1
1 63 . 9 1 1 A 6 6 GLN C C 6 179.700 178.668 1.032 1
1 64 . 9 1 1 A 6 6 GLN CA C 6 59.100 58.662 0.438 1
1 65 . 9 1 1 A 6 6 GLN CB C 6 29.100 28.056 1.044 1
1 67 . 9 1 1 A 6 6 GLN N N 6 120.800 118.126 2.674 1
1 68 . 9 1 1 A 7 7 LEU H H 7 8.620 7.679 0.941 1
1 69 . 9 1 1 A 7 7 LEU HA H 7 4.010 4.107 -0.097 1
1 79 . 9 1 1 A 7 7 LEU C C 7 176.900 178.565 -1.665 1
1 80 . 9 1 1 A 7 7 LEU CA C 7 57.800 57.893 -0.093 1
1 81 . 9 1 1 A 7 7 LEU CB C 7 41.700 41.748 -0.048 1
1 85 . 9 1 1 A 7 7 LEU N N 7 121.000 121.582 -0.582 1
1 86 . 9 1 1 A 8 8 LYS H H 8 7.750 7.579 0.171 1
1 87 . 9 1 1 A 8 8 LYS HA H 8 3.570 3.662 -0.092 1
1 96 . 9 1 1 A 8 8 LYS C C 8 179.400 179.617 -0.217 1
1 97 . 9 1 1 A 8 8 LYS CA C 8 59.000 58.695 0.305 1
1 98 . 9 1 1 A 8 8 LYS CB C 8 32.400 32.096 0.304 1
1 102 . 9 1 1 A 8 8 LYS N N 8 119.700 118.774 0.926 1
1 103 . 9 1 1 A 9 9 HIS H H 9 8.520 8.200 0.320 1
1 104 . 9 1 1 A 9 9 HIS HA H 9 4.050 4.485 -0.435 1
1 107 . 9 1 1 A 9 9 HIS C C 9 176.500 177.687 -1.187 1
1 108 . 9 1 1 A 9 9 HIS CA C 9 59.400 59.763 -0.363 1
1 109 . 9 1 1 A 9 9 HIS CB C 9 29.900 29.916 -0.016 1
1 110 . 9 1 1 A 9 9 HIS N N 9 120.500 119.204 1.296 1
1 111 . 9 1 1 A 10 10 TYR H H 10 7.990 8.529 -0.539 1
1 112 . 9 1 1 A 10 10 TYR HA H 10 4.160 4.033 0.127 1
1 119 . 9 1 1 A 10 10 TYR C C 10 177.400 177.222 0.178 1
1 120 . 9 1 1 A 10 10 TYR CA C 10 61.800 61.507 0.293 1
1 121 . 9 1 1 A 10 10 TYR CB C 10 39.500 38.825 0.675 1
1 126 . 9 1 1 A 10 10 TYR N N 10 119.200 119.831 -0.631 1
1 127 . 9 1 1 A 11 11 ILE H H 11 8.710 8.462 0.248 1
1 128 . 9 1 1 A 11 11 ILE HA H 11 3.540 3.581 -0.041 1
1 138 . 9 1 1 A 11 11 ILE CA C 11 61.600 64.552 -2.952 1
1 139 . 9 1 1 A 11 11 ILE CB C 11 36.200 37.799 -1.599 1
1 143 . 9 1 1 A 11 11 ILE N N 11 118.900 120.668 -1.768 1
1 144 . 9 1 1 A 12 12 THR HA H 12 3.840 4.101 -0.261 1
1 149 . 9 1 1 A 12 12 THR C C 12 176.900 176.674 0.226 1
1 150 . 9 1 1 A 12 12 THR CA C 12 66.400 66.123 0.277 1
1 151 . 9 1 1 A 12 12 THR CB C 12 68.300 68.251 0.049 1
1 153 . 9 1 1 A 13 13 ASN H H 13 7.440 8.637 -1.197 1
1 154 . 9 1 1 A 13 13 ASN HA H 13 4.420 4.410 0.010 1
1 159 . 9 1 1 A 13 13 ASN C C 13 176.700 177.785 -1.085 1
1 160 . 9 1 1 A 13 13 ASN CA C 13 55.900 56.744 -0.844 1
1 161 . 9 1 1 A 13 13 ASN CB C 13 38.600 38.904 -0.304 1
1 163 . 9 1 1 A 13 13 ASN N N 13 118.300 120.936 -2.636 1
1 165 . 9 1 1 A 14 14 LEU H H 14 7.890 8.088 -0.198 1
1 166 . 9 1 1 A 14 14 LEU HA H 14 3.660 3.723 -0.063 1
1 176 . 9 1 1 A 14 14 LEU C C 14 177.900 178.082 -0.182 1
1 177 . 9 1 1 A 14 14 LEU CA C 14 57.600 57.516 0.084 1
1 178 . 9 1 1 A 14 14 LEU CB C 14 42.600 40.979 1.621 1
1 182 . 9 1 1 A 14 14 LEU N N 14 122.100 119.570 2.530 1
1 183 . 9 1 1 A 15 15 PHE H H 15 7.670 7.634 0.036 1
1 184 . 9 1 1 A 15 15 PHE HA H 15 4.490 4.529 -0.039 1
1 191 . 9 1 1 A 15 15 PHE C C 15 173.800 174.803 -1.003 1
1 192 . 9 1 1 A 15 15 PHE CA C 15 57.900 57.171 0.729 1
1 193 . 9 1 1 A 15 15 PHE CB C 15 38.900 39.543 -0.643 1
1 198 . 9 1 1 A 15 15 PHE N N 15 111.800 115.266 -3.466 1
1 199 . 9 1 1 A 16 16 ASN H H 16 7.450 8.154 -0.704 1
1 200 . 9 1 1 A 16 16 ASN HA H 16 4.420 4.612 -0.192 1
1 205 . 9 1 1 A 16 16 ASN C C 16 174.200 174.000 0.200 1
1 206 . 9 1 1 A 16 16 ASN CA C 16 54.100 54.027 0.073 1
1 207 . 9 1 1 A 16 16 ASN CB C 16 36.500 37.133 -0.633 1
1 209 . 9 1 1 A 16 16 ASN N N 16 118.500 118.555 -0.055 1
1 211 . 9 1 1 A 17 17 LEU H H 17 8.410 7.940 0.470 1
1 212 . 9 1 1 A 17 17 LEU HA H 17 4.630 4.629 0.001 1
1 222 . 9 1 1 A 17 17 LEU CA C 17 52.300 52.624 -0.324 1
1 223 . 9 1 1 A 17 17 LEU CB C 17 41.000 41.788 -0.788 1
1 227 . 9 1 1 A 17 17 LEU N N 17 118.700 119.643 -0.943 1
1 228 . 9 1 1 A 18 18 PRO HA H 18 4.380 4.465 -0.085 1
1 235 . 9 1 1 A 18 18 PRO C C 18 178.600 177.376 1.224 1
1 236 . 9 1 1 A 18 18 PRO CA C 18 63.100 63.296 -0.196 1
1 237 . 9 1 1 A 18 18 PRO CB C 18 31.800 32.330 -0.530 1
1 240 . 9 1 1 A 19 19 ARG H H 19 8.650 8.876 -0.226 1
1 241 . 9 1 1 A 19 19 ARG HA H 19 3.820 4.405 -0.585 1
1 248 . 9 1 1 A 19 19 ARG C C 19 176.500 177.187 -0.687 1
1 249 . 9 1 1 A 19 19 ARG CA C 19 58.100 58.376 -0.276 1
1 250 . 9 1 1 A 19 19 ARG CB C 19 30.300 30.199 0.101 1
1 253 . 9 1 1 A 19 19 ARG N N 19 124.600 124.374 0.226 1
1 254 . 9 1 1 A 20 20 ASP H H 20 8.390 8.222 0.168 1
1 255 . 9 1 1 A 20 20 ASP HA H 20 4.550 4.526 0.024 1
1 258 . 9 1 1 A 20 20 ASP C C 20 175.700 175.985 -0.285 1
1 259 . 9 1 1 A 20 20 ASP CA C 20 53.000 53.832 -0.832 1
1 260 . 9 1 1 A 20 20 ASP CB C 20 40.400 39.615 0.785 1
1 261 . 9 1 1 A 20 20 ASP N N 20 114.300 115.382 -1.082 1
1 262 . 9 1 1 A 21 21 GLU H H 21 6.780 7.642 -0.862 1
1 263 . 9 1 1 A 21 21 GLU HA H 21 4.150 4.434 -0.284 1
1 268 . 9 1 1 A 21 21 GLU C C 21 175.400 175.827 -0.427 1
1 269 . 9 1 1 A 21 21 GLU CA C 21 56.200 55.489 0.711 1
1 270 . 9 1 1 A 21 21 GLU CB C 21 31.600 30.702 0.898 1
1 272 . 9 1 1 A 21 21 GLU N N 21 121.600 121.430 0.170 1
1 273 . 9 1 1 A 22 22 LYS H H 22 8.860 8.453 0.407 1
1 274 . 9 1 1 A 22 22 LYS HA H 22 4.160 4.402 -0.242 1
1 283 . 9 1 1 A 22 22 LYS C C 22 176.100 176.270 -0.170 1
1 284 . 9 1 1 A 22 22 LYS CA C 22 57.200 56.086 1.114 1
1 285 . 9 1 1 A 22 22 LYS CB C 22 33.000 33.107 -0.107 1
1 289 . 9 1 1 A 22 22 LYS N N 22 128.900 126.402 2.498 1
1 290 . 9 1 1 A 23 23 TRP H H 23 8.750 9.098 -0.348 1
1 291 . 9 1 1 A 23 23 TRP HA H 23 5.400 5.192 0.208 1
1 300 . 9 1 1 A 23 23 TRP C C 23 176.500 175.934 0.566 1
1 301 . 9 1 1 A 23 23 TRP CA C 23 54.600 56.393 -1.793 1
1 302 . 9 1 1 A 23 23 TRP CB C 23 31.100 32.766 -1.666 1
1 308 . 9 1 1 A 23 23 TRP N N 23 126.100 123.126 2.974 1
1 310 . 9 1 1 A 24 24 GLU H H 24 9.040 8.807 0.233 1
1 311 . 9 1 1 A 24 24 GLU HA H 24 4.590 4.978 -0.388 1
1 316 . 9 1 1 A 24 24 GLU C C 24 174.100 175.962 -1.862 1
1 317 . 9 1 1 A 24 24 GLU CA C 24 54.200 55.338 -1.138 1
1 318 . 9 1 1 A 24 24 GLU CB C 24 31.600 32.089 -0.489 1
1 320 . 9 1 1 A 24 24 GLU N N 24 122.700 121.218 1.482 1
1 321 . 9 1 1 A 25 25 CYS H H 25 8.740 8.904 -0.164 1
1 322 . 9 1 1 A 25 25 CYS HA H 25 4.870 4.581 0.289 1
1 325 . 9 1 1 A 25 25 CYS C C 25 174.400 173.893 0.507 1
1 326 . 9 1 1 A 25 25 CYS CA C 25 57.200 58.716 -1.516 1
1 327 . 9 1 1 A 25 25 CYS CB C 25 30.200 28.538 1.662 1
1 328 . 9 1 1 A 25 25 CYS N N 25 119.900 125.135 -5.235 1
1 329 . 9 1 1 A 26 26 GLU H H 26 9.220 8.372 0.848 1
1 330 . 9 1 1 A 26 26 GLU HA H 26 4.740 4.972 -0.232 1
1 335 . 9 1 1 A 26 26 GLU C C 26 175.000 174.708 0.292 1
1 336 . 9 1 1 A 26 26 GLU CA C 26 55.100 54.906 0.194 1
1 337 . 9 1 1 A 26 26 GLU CB C 26 31.700 33.123 -1.423 1
1 339 . 9 1 1 A 26 26 GLU N N 26 131.200 125.410 5.790 1
1 340 . 9 1 1 A 27 27 SER H H 27 8.900 8.943 -0.043 1
1 341 . 9 1 1 A 27 27 SER HA H 27 5.750 5.164 0.586 1
1 344 . 9 1 1 A 27 27 SER C C 27 173.600 173.908 -0.308 1
1 345 . 9 1 1 A 27 27 SER CA C 27 56.700 57.993 -1.293 1
1 346 . 9 1 1 A 27 27 SER CB C 27 64.200 63.971 0.229 1
1 347 . 9 1 1 A 27 27 SER N N 27 125.100 124.435 0.665 1
1 348 . 9 1 1 A 28 28 ILE H H 28 8.540 8.996 -0.456 1
1 349 . 9 1 1 A 28 28 ILE HA H 28 4.680 4.602 0.078 1
1 359 . 9 1 1 A 28 28 ILE C C 28 174.100 174.928 -0.828 1
1 360 . 9 1 1 A 28 28 ILE CA C 28 59.800 60.169 -0.369 1
1 361 . 9 1 1 A 28 28 ILE CB C 28 42.700 42.170 0.530 1
1 365 . 9 1 1 A 28 28 ILE N N 28 123.200 126.468 -3.268 1
1 366 . 9 1 1 A 29 29 GLU H H 29 8.430 8.585 -0.155 1
1 367 . 9 1 1 A 29 29 GLU HA H 29 5.430 4.676 0.754 1
1 372 . 9 1 1 A 29 29 GLU C C 29 176.000 176.547 -0.547 1
1 373 . 9 1 1 A 29 29 GLU CA C 29 55.600 56.286 -0.686 1
1 374 . 9 1 1 A 29 29 GLU CB C 29 31.200 30.228 0.972 1
1 376 . 9 1 1 A 29 29 GLU N N 29 123.900 127.169 -3.269 1
1 377 . 9 1 1 A 30 30 GLU H H 30 8.850 8.570 0.280 1
1 378 . 9 1 1 A 30 30 GLU HA H 30 4.730 4.962 -0.232 1
1 383 . 9 1 1 A 30 30 GLU C C 30 174.300 175.879 -1.579 1
1 384 . 9 1 1 A 30 30 GLU CA C 30 54.700 54.290 0.410 1
1 385 . 9 1 1 A 30 30 GLU CB C 30 34.400 34.052 0.348 1
1 387 . 9 1 1 A 30 30 GLU N N 30 121.900 124.064 -2.164 1
1 388 . 9 1 1 A 31 31 VAL H H 31 9.260 8.901 0.359 1
1 389 . 9 1 1 A 31 31 VAL HA H 31 4.250 4.028 0.222 1
1 397 . 9 1 1 A 31 31 VAL C C 31 177.700 177.064 0.636 1
1 398 . 9 1 1 A 31 31 VAL CA C 31 62.500 63.052 -0.552 1
1 399 . 9 1 1 A 31 31 VAL CB C 31 31.800 31.826 -0.026 1
1 402 . 9 1 1 A 31 31 VAL N N 31 124.500 123.021 1.479 1
1 403 . 9 1 1 A 32 32 ALA H H 32 9.250 8.561 0.689 1
1 404 . 9 1 1 A 32 32 ALA HA H 32 3.710 3.983 -0.273 1
1 408 . 9 1 1 A 32 32 ALA C C 32 178.600 179.189 -0.589 1
1 409 . 9 1 1 A 32 32 ALA CA C 32 55.800 55.253 0.547 1
1 410 . 9 1 1 A 32 32 ALA CB C 32 19.400 18.331 1.069 1
1 411 . 9 1 1 A 32 32 ALA N N 32 129.900 128.420 1.480 1
1 412 . 9 1 1 A 33 33 ASP H H 33 9.510 8.109 1.401 1
1 413 . 9 1 1 A 33 33 ASP HA H 33 4.180 4.432 -0.252 1
1 416 . 9 1 1 A 33 33 ASP C C 33 176.300 177.034 -0.734 1
1 417 . 9 1 1 A 33 33 ASP CA C 33 54.600 56.356 -1.756 1
1 418 . 9 1 1 A 33 33 ASP CB C 33 39.200 40.555 -1.355 1
1 419 . 9 1 1 A 33 33 ASP N N 33 110.700 118.094 -7.394 1
1 420 . 9 1 1 A 34 34 ASP H H 34 7.830 8.656 -0.826 1
1 421 . 9 1 1 A 34 34 ASP HA H 34 4.650 4.533 0.117 1
1 424 . 9 1 1 A 34 34 ASP C C 34 176.300 177.227 -0.927 1
1 425 . 9 1 1 A 34 34 ASP CA C 34 55.100 55.639 -0.539 1
1 426 . 9 1 1 A 34 34 ASP CB C 34 41.000 41.081 -0.081 1
1 427 . 9 1 1 A 34 34 ASP N N 34 114.700 117.339 -2.639 1
1 428 . 9 1 1 A 35 35 ILE H H 35 7.290 7.288 0.002 1
1 429 . 9 1 1 A 35 35 ILE HA H 35 4.490 4.360 0.130 1
1 439 . 9 1 1 A 35 35 ILE C C 35 174.100 175.640 -1.540 1
1 440 . 9 1 1 A 35 35 ILE CA C 35 60.700 61.457 -0.757 1
1 441 . 9 1 1 A 35 35 ILE CB C 35 40.600 39.684 0.916 1
1 445 . 9 1 1 A 35 35 ILE N N 35 113.400 111.203 2.197 1
1 446 . 9 1 1 A 36 36 LEU H H 36 7.730 8.625 -0.895 1
1 447 . 9 1 1 A 36 36 LEU HA H 36 4.800 4.707 0.093 1
1 457 . 9 1 1 A 36 36 LEU CA C 36 52.200 51.866 0.334 1
1 458 . 9 1 1 A 36 36 LEU CB C 36 42.700 41.923 0.777 1
1 462 . 9 1 1 A 36 36 LEU N N 36 120.400 124.600 -4.200 1
1 463 . 9 1 1 A 37 37 PRO HA H 37 4.440 4.568 -0.128 1
1 470 . 9 1 1 A 37 37 PRO C C 37 177.100 177.167 -0.067 1
1 471 . 9 1 1 A 37 37 PRO CA C 37 63.100 62.964 0.136 1
1 472 . 9 1 1 A 37 37 PRO CB C 37 32.700 32.875 -0.175 1
1 475 . 9 1 1 A 38 38 ASP H H 38 8.690 8.712 -0.022 1
1 476 . 9 1 1 A 38 38 ASP HA H 38 4.230 4.338 -0.108 1
1 479 . 9 1 1 A 38 38 ASP C C 38 177.800 178.588 -0.788 1
1 480 . 9 1 1 A 38 38 ASP CA C 38 57.900 57.525 0.375 1
1 481 . 9 1 1 A 38 38 ASP CB C 38 42.200 40.644 1.556 1
1 482 . 9 1 1 A 38 38 ASP N N 38 123.800 122.042 1.758 1
1 483 . 9 1 1 A 39 39 GLN H H 39 9.080 8.100 0.980 1
1 484 . 9 1 1 A 39 39 GLN HA H 39 3.990 4.083 -0.093 1
1 491 . 9 1 1 A 39 39 GLN C C 39 176.400 177.239 -0.839 1
1 492 . 9 1 1 A 39 39 GLN CA C 39 58.000 58.632 -0.632 1
1 493 . 9 1 1 A 39 39 GLN CB C 39 27.300 28.405 -1.105 1
1 496 . 9 1 1 A 39 39 GLN N N 39 115.100 120.400 -5.300 1
1 498 . 9 1 1 A 40 40 TYR H H 40 7.510 7.807 -0.297 1
1 499 . 9 1 1 A 40 40 TYR HA H 40 4.730 4.416 0.314 1
1 506 . 9 1 1 A 40 40 TYR C C 40 174.200 176.824 -2.624 1
1 507 . 9 1 1 A 40 40 TYR CA C 40 57.000 58.695 -1.695 1
1 508 . 9 1 1 A 40 40 TYR CB C 40 39.400 38.170 1.230 1
1 513 . 9 1 1 A 40 40 TYR N N 40 116.800 116.953 -0.153 1
1 514 . 9 1 1 A 41 41 VAL H H 41 7.370 7.692 -0.322 1
1 515 . 9 1 1 A 41 41 VAL HA H 41 4.000 4.127 -0.127 1
1 523 . 9 1 1 A 41 41 VAL C C 41 175.400 177.054 -1.654 1
1 524 . 9 1 1 A 41 41 VAL CA C 41 62.800 63.314 -0.514 1
1 525 . 9 1 1 A 41 41 VAL CB C 41 34.300 33.006 1.294 1
1 528 . 9 1 1 A 41 41 VAL N N 41 116.100 117.653 -1.553 1
1 529 . 9 1 1 A 42 42 ARG H H 42 7.990 8.318 -0.328 1
1 530 . 9 1 1 A 42 42 ARG HA H 42 3.970 4.018 -0.048 1
1 537 . 9 1 1 A 42 42 ARG C C 42 176.600 178.450 -1.850 1
1 538 . 9 1 1 A 42 42 ARG CA C 42 58.500 59.546 -1.046 1
1 539 . 9 1 1 A 42 42 ARG CB C 42 29.700 29.973 -0.273 1
1 542 . 9 1 1 A 42 42 ARG N N 42 120.900 120.993 -0.093 1
1 543 . 9 1 1 A 43 43 LEU H H 43 8.930 8.144 0.786 1
1 544 . 9 1 1 A 43 43 LEU HA H 43 4.060 3.963 0.097 1
1 554 . 9 1 1 A 43 43 LEU C C 43 176.200 178.593 -2.393 1
1 555 . 9 1 1 A 43 43 LEU CA C 43 56.100 57.863 -1.763 1
1 556 . 9 1 1 A 43 43 LEU CB C 43 40.100 41.761 -1.661 1
1 560 . 9 1 1 A 43 43 LEU N N 43 119.500 120.198 -0.698 1
1 561 . 9 1 1 A 44 44 GLY H H 44 7.890 8.186 -0.296 1
1 562 . 9 1 1 A 44 44 GLY HA2 H 44 3.930 3.833 0.097 1
1 563 . 9 1 1 A 44 44 GLY HA3 H 44 4.540 3.844 0.696 1
1 564 . 9 1 1 A 44 44 GLY CA C 44 44.900 45.804 -0.904 1
1 565 . 9 1 1 A 44 44 GLY N N 44 107.000 105.861 1.139 1
1 566 . 9 1 1 A 45 45 PRO HA H 45 4.360 4.292 0.068 1
1 573 . 9 1 1 A 45 45 PRO C C 45 176.900 178.546 -1.646 1
1 574 . 9 1 1 A 45 45 PRO CA C 45 64.400 64.391 0.009 1
1 575 . 9 1 1 A 45 45 PRO CB C 45 31.900 31.792 0.108 1
1 578 . 9 1 1 A 46 46 LEU H H 46 8.660 7.742 0.918 1
1 579 . 9 1 1 A 46 46 LEU HA H 46 3.970 3.998 -0.028 1
1 589 . 9 1 1 A 46 46 LEU C C 46 176.300 177.215 -0.915 1
1 590 . 9 1 1 A 46 46 LEU CA C 46 55.900 57.531 -1.631 1
1 591 . 9 1 1 A 46 46 LEU CB C 46 43.500 41.795 1.705 1
1 595 . 9 1 1 A 46 46 LEU N N 46 117.000 118.611 -1.611 1
1 596 . 9 1 1 A 47 47 SER H H 47 7.160 8.050 -0.890 1
1 597 . 9 1 1 A 47 47 SER HA H 47 4.080 4.380 -0.300 1
1 600 . 9 1 1 A 47 47 SER C C 47 176.600 174.347 2.253 1
1 601 . 9 1 1 A 47 47 SER CA C 47 59.100 59.585 -0.485 1
1 602 . 9 1 1 A 47 47 SER CB C 47 62.800 62.656 0.144 1
1 603 . 9 1 1 A 47 47 SER N N 47 110.300 115.137 -4.837 1
1 604 . 9 1 1 A 48 48 ASN H H 48 11.000 8.715 2.285 1
1 605 . 9 1 1 A 48 48 ASN HA H 48 4.090 4.966 -0.876 1
1 610 . 9 1 1 A 48 48 ASN C C 48 174.700 175.282 -0.582 1
1 611 . 9 1 1 A 48 48 ASN CA C 48 55.200 52.189 3.011 1
1 612 . 9 1 1 A 48 48 ASN CB C 48 38.300 37.493 0.807 1
1 614 . 9 1 1 A 48 48 ASN N N 48 123.200 124.246 -1.046 1
1 616 . 9 1 1 A 49 49 LYS H H 49 7.830 7.127 0.703 1
1 617 . 9 1 1 A 49 49 LYS HA H 49 4.360 4.299 0.061 1
1 626 . 9 1 1 A 49 49 LYS C C 49 175.100 176.078 -0.978 1
1 627 . 9 1 1 A 49 49 LYS CA C 49 56.100 56.025 0.075 1
1 628 . 9 1 1 A 49 49 LYS CB C 49 33.200 32.859 0.341 1
1 632 . 9 1 1 A 49 49 LYS N N 49 119.400 119.727 -0.327 1
1 633 . 9 1 1 A 50 50 ILE H H 50 8.570 8.351 0.219 1
1 634 . 9 1 1 A 50 50 ILE HA H 50 4.160 4.288 -0.128 1
1 644 . 9 1 1 A 50 50 ILE C C 50 175.000 175.343 -0.343 1
1 645 . 9 1 1 A 50 50 ILE CA C 50 61.200 60.810 0.390 1
1 646 . 9 1 1 A 50 50 ILE CB C 50 36.900 37.624 -0.724 1
1 650 . 9 1 1 A 50 50 ILE N N 50 123.000 123.349 -0.349 1
1 651 . 9 1 1 A 51 51 LEU H H 51 9.270 8.734 0.536 1
1 652 . 9 1 1 A 51 51 LEU HA H 51 5.170 5.116 0.054 1
1 662 . 9 1 1 A 51 51 LEU C C 51 176.300 176.274 0.026 1
1 663 . 9 1 1 A 51 51 LEU CA C 51 52.500 53.295 -0.795 1
1 664 . 9 1 1 A 51 51 LEU CB C 51 42.600 45.099 -2.499 1
1 668 . 9 1 1 A 51 51 LEU N N 51 127.000 128.795 -1.795 1
1 669 . 9 1 1 A 52 52 GLN H H 52 9.110 8.209 0.901 1
1 670 . 9 1 1 A 52 52 GLN HA H 52 4.590 4.612 -0.022 1
1 677 . 9 1 1 A 52 52 GLN C C 52 175.000 175.198 -0.198 1
1 678 . 9 1 1 A 52 52 GLN CA C 52 56.800 56.138 0.662 1
1 679 . 9 1 1 A 52 52 GLN CB C 52 29.200 29.330 -0.130 1
1 682 . 9 1 1 A 52 52 GLN N N 52 122.700 122.893 -0.193 1
1 684 . 9 1 1 A 53 53 THR H H 53 9.110 8.724 0.386 1
1 685 . 9 1 1 A 53 53 THR HA H 53 4.730 5.121 -0.391 1
1 690 . 9 1 1 A 53 53 THR C C 53 172.500 172.908 -0.408 1
1 691 . 9 1 1 A 53 53 THR CA C 53 60.500 62.205 -1.705 1
1 692 . 9 1 1 A 53 53 THR CB C 53 69.800 69.838 -0.038 1
1 694 . 9 1 1 A 53 53 THR N N 53 121.500 121.171 0.329 1
1 695 . 9 1 1 A 54 54 ASN H H 54 8.210 9.226 -1.016 1
1 696 . 9 1 1 A 54 54 ASN HA H 54 5.400 5.359 0.041 1
1 701 . 9 1 1 A 54 54 ASN C C 54 172.900 173.716 -0.816 1
1 702 . 9 1 1 A 54 54 ASN CA C 54 52.400 51.651 0.749 1
1 703 . 9 1 1 A 54 54 ASN CB C 54 40.900 39.546 1.354 1
1 705 . 9 1 1 A 54 54 ASN N N 54 125.400 126.780 -1.380 1
1 707 . 9 1 1 A 55 55 THR H H 55 8.510 8.656 -0.146 1
1 708 . 9 1 1 A 55 55 THR HA H 55 5.120 4.898 0.222 1
1 713 . 9 1 1 A 55 55 THR C C 55 172.800 173.553 -0.753 1
1 714 . 9 1 1 A 55 55 THR CA C 55 61.400 62.240 -0.840 1
1 715 . 9 1 1 A 55 55 THR CB C 55 69.700 69.853 -0.153 1
1 717 . 9 1 1 A 55 55 THR N N 55 119.300 120.527 -1.227 1
1 718 . 9 1 1 A 56 56 TYR H H 56 8.460 9.229 -0.769 1
1 719 . 9 1 1 A 56 56 TYR HA H 56 5.260 5.561 -0.301 1
1 726 . 9 1 1 A 56 56 TYR C C 56 173.400 174.257 -0.857 1
1 727 . 9 1 1 A 56 56 TYR CA C 56 57.500 56.015 1.485 1
1 728 . 9 1 1 A 56 56 TYR CB C 56 41.400 40.837 0.563 1
1 733 . 9 1 1 A 56 56 TYR N N 56 125.400 125.725 -0.325 1
1 734 . 9 1 1 A 57 57 TYR H H 57 8.450 8.882 -0.432 1
1 735 . 9 1 1 A 57 57 TYR HA H 57 4.530 5.600 -1.070 1
1 742 . 9 1 1 A 57 57 TYR C C 57 172.400 174.540 -2.140 1
1 743 . 9 1 1 A 57 57 TYR CA C 57 56.600 56.111 0.489 1
1 744 . 9 1 1 A 57 57 TYR CB C 57 41.700 41.422 0.278 1
1 749 . 9 1 1 A 57 57 TYR N N 57 113.900 123.009 -9.109 1
1 750 . 9 1 1 A 58 58 SER H H 58 7.100 9.063 -1.963 1
1 751 . 9 1 1 A 58 58 SER HA H 58 4.750 5.046 -0.296 1
1 754 . 9 1 1 A 58 58 SER C C 58 173.800 174.041 -0.241 1
1 755 . 9 1 1 A 58 58 SER CA C 58 56.600 56.096 0.504 1
1 756 . 9 1 1 A 58 58 SER CB C 58 65.600 65.473 0.127 1
1 757 . 9 1 1 A 58 58 SER N N 58 114.200 117.860 -3.660 1
1 758 . 9 1 1 A 59 59 ASP H H 59 9.140 8.659 0.481 1
1 759 . 9 1 1 A 59 59 ASP HA H 59 4.550 4.143 0.407 1
1 762 . 9 1 1 A 59 59 ASP C C 59 179.000 177.765 1.235 1
1 763 . 9 1 1 A 59 59 ASP CA C 59 58.500 57.727 0.773 1
1 764 . 9 1 1 A 59 59 ASP CB C 59 40.400 40.887 -0.487 1
1 765 . 9 1 1 A 59 59 ASP N N 59 121.800 125.978 -4.178 1
1 766 . 9 1 1 A 60 60 THR H H 60 9.060 7.754 1.306 1
1 767 . 9 1 1 A 60 60 THR HA H 60 4.000 4.020 -0.020 1
1 772 . 9 1 1 A 60 60 THR C C 60 178.000 177.742 0.258 1
1 773 . 9 1 1 A 60 60 THR CA C 60 67.300 65.838 1.462 1
1 774 . 9 1 1 A 60 60 THR CB C 60 67.300 68.449 -1.149 1
1 776 . 9 1 1 A 60 60 THR N N 60 114.800 113.938 0.862 1
1 777 . 9 1 1 A 61 61 LEU H H 61 7.950 7.829 0.121 1
1 778 . 9 1 1 A 61 61 LEU HA H 61 3.610 4.101 -0.491 1
1 788 . 9 1 1 A 61 61 LEU C C 61 178.900 179.445 -0.545 1
1 789 . 9 1 1 A 61 61 LEU CA C 61 58.600 57.921 0.679 1
1 790 . 9 1 1 A 61 61 LEU CB C 61 39.500 42.095 -2.595 1
1 794 . 9 1 1 A 61 61 LEU N N 61 126.100 122.502 3.598 1
1 795 . 9 1 1 A 62 62 HIS H H 62 8.260 8.322 -0.062 1
1 796 . 9 1 1 A 62 62 HIS HA H 62 4.470 4.343 0.127 1
1 800 . 9 1 1 A 62 62 HIS C C 62 178.900 178.083 0.817 1
1 801 . 9 1 1 A 62 62 HIS CA C 62 58.600 59.783 -1.183 1
1 802 . 9 1 1 A 62 62 HIS CB C 62 29.500 29.783 -0.283 1
1 804 . 9 1 1 A 62 62 HIS N N 62 116.000 117.372 -1.372 1
1 805 . 9 1 1 A 63 63 LYS H H 63 7.790 7.978 -0.188 1
1 806 . 9 1 1 A 63 63 LYS HA H 63 3.960 3.948 0.012 1
1 815 . 9 1 1 A 63 63 LYS C C 63 177.900 178.994 -1.094 1
1 816 . 9 1 1 A 63 63 LYS CA C 63 59.200 59.582 -0.382 1
1 817 . 9 1 1 A 63 63 LYS CB C 63 32.400 32.155 0.245 1
1 821 . 9 1 1 A 63 63 LYS N N 63 119.100 119.758 -0.658 1
1 822 . 9 1 1 A 64 64 SER H H 64 7.580 7.805 -0.225 1
1 823 . 9 1 1 A 64 64 SER HA H 64 4.260 4.360 -0.100 1
1 826 . 9 1 1 A 64 64 SER C C 64 172.100 174.774 -2.674 1
1 827 . 9 1 1 A 64 64 SER CA C 64 59.300 58.831 0.469 1
1 828 . 9 1 1 A 64 64 SER CB C 64 63.600 63.771 -0.171 1
1 829 . 9 1 1 A 64 64 SER N N 64 112.470 111.177 1.293 1
1 830 . 9 1 1 A 65 65 ASN H H 65 7.760 7.928 -0.168 1
1 831 . 9 1 1 A 65 65 ASN HA H 65 3.870 4.160 -0.290 1
1 836 . 9 1 1 A 65 65 ASN C C 65 171.100 173.275 -2.175 1
1 837 . 9 1 1 A 65 65 ASN CA C 65 54.300 54.122 0.178 1
1 838 . 9 1 1 A 65 65 ASN CB C 65 37.500 37.194 0.306 1
1 840 . 9 1 1 A 65 65 ASN N N 65 117.600 118.347 -0.747 1
1 842 . 9 1 1 A 66 66 ILE H H 66 6.820 7.074 -0.254 1
1 843 . 9 1 1 A 66 66 ILE HA H 66 4.590 4.484 0.106 1
1 853 . 9 1 1 A 66 66 ILE C C 66 174.000 173.969 0.031 1
1 854 . 9 1 1 A 66 66 ILE CA C 66 58.200 59.840 -1.640 1
1 855 . 9 1 1 A 66 66 ILE CB C 66 40.200 40.458 -0.258 1
1 859 . 9 1 1 A 66 66 ILE N N 66 113.900 119.096 -5.196 1
1 860 . 9 1 1 A 67 67 TYR H H 67 8.530 7.514 1.016 1
1 861 . 9 1 1 A 67 67 TYR HA H 67 5.050 5.500 -0.450 1
1 868 . 9 1 1 A 67 67 TYR CA C 67 54.000 54.842 -0.842 1
1 869 . 9 1 1 A 67 67 TYR CB C 67 39.400 39.136 0.264 1
1 874 . 9 1 1 A 67 67 TYR N N 67 120.200 125.034 -4.834 1
1 875 . 9 1 1 A 68 68 PRO HA H 68 5.120 4.922 0.198 1
1 882 . 9 1 1 A 68 68 PRO C C 68 174.600 176.677 -2.077 1
1 883 . 9 1 1 A 68 68 PRO CA C 68 61.500 62.881 -1.381 1
1 884 . 9 1 1 A 68 68 PRO CB C 68 32.200 32.843 -0.643 1
1 887 . 9 1 1 A 69 69 PHE H H 69 8.870 8.612 0.258 1
1 888 . 9 1 1 A 69 69 PHE HA H 69 6.330 5.376 0.954 1
1 896 . 9 1 1 A 69 69 PHE C C 69 173.000 172.618 0.382 1
1 897 . 9 1 1 A 69 69 PHE CA C 69 56.300 56.272 0.028 1
1 898 . 9 1 1 A 69 69 PHE CB C 69 42.900 41.635 1.265 1
1 903 . 9 1 1 A 69 69 PHE N N 69 118.400 117.631 0.769 1
1 904 . 9 1 1 A 70 70 ILE H H 70 9.060 8.408 0.652 1
1 905 . 9 1 1 A 70 70 ILE HA H 70 4.840 4.656 0.184 1
1 915 . 9 1 1 A 70 70 ILE C C 70 175.700 174.690 1.010 1
1 916 . 9 1 1 A 70 70 ILE CA C 70 61.900 59.543 2.357 1
1 917 . 9 1 1 A 70 70 ILE CB C 70 43.000 42.312 0.688 1
1 921 . 9 1 1 A 70 70 ILE N N 70 117.700 120.778 -3.078 1
1 922 . 9 1 1 A 71 71 LEU H H 71 9.320 8.449 0.871 1
1 923 . 9 1 1 A 71 71 LEU HA H 71 5.720 5.326 0.394 1
1 933 . 9 1 1 A 71 71 LEU C C 71 175.600 175.626 -0.026 1
1 934 . 9 1 1 A 71 71 LEU CA C 71 52.400 54.050 -1.650 1
1 935 . 9 1 1 A 71 71 LEU CB C 71 43.700 43.571 0.129 1
1 939 . 9 1 1 A 71 71 LEU N N 71 124.800 126.054 -1.254 1
1 940 . 9 1 1 A 72 72 TYR H H 72 9.250 8.978 0.272 1
1 941 . 9 1 1 A 72 72 TYR HA H 72 5.350 5.560 -0.210 1
1 948 . 9 1 1 A 72 72 TYR C C 72 174.100 175.081 -0.981 1
1 949 . 9 1 1 A 72 72 TYR CA C 72 57.300 56.870 0.430 1
1 950 . 9 1 1 A 72 72 TYR CB C 72 44.500 42.351 2.149 1
1 955 . 9 1 1 A 72 72 TYR N N 72 120.700 122.037 -1.337 1
1 956 . 9 1 1 A 73 73 TYR H H 73 9.250 8.952 0.298 1
1 957 . 9 1 1 A 73 73 TYR HA H 73 5.110 4.827 0.283 1
1 964 . 9 1 1 A 73 73 TYR C C 73 174.500 175.245 -0.745 1
1 965 . 9 1 1 A 73 73 TYR CA C 73 56.500 58.169 -1.669 1
1 966 . 9 1 1 A 73 73 TYR CB C 73 40.400 41.469 -1.069 1
1 971 . 9 1 1 A 73 73 TYR N N 73 120.300 123.840 -3.540 1
1 972 . 9 1 1 A 74 74 GLN H H 74 9.310 8.516 0.794 1
1 973 . 9 1 1 A 74 74 GLN HA H 74 3.530 3.711 -0.181 1
1 980 . 9 1 1 A 74 74 GLN C C 74 175.400 176.243 -0.843 1
1 981 . 9 1 1 A 74 74 GLN CA C 74 57.200 58.064 -0.864 1
1 982 . 9 1 1 A 74 74 GLN CB C 74 25.500 27.188 -1.688 1
1 985 . 9 1 1 A 74 74 GLN N N 74 126.000 125.890 0.110 1
1 987 . 9 1 1 A 75 75 LYS H H 75 8.530 8.388 0.142 1
1 988 . 9 1 1 A 75 75 LYS HA H 75 3.820 4.477 -0.657 1
1 997 . 9 1 1 A 75 75 LYS C C 75 175.500 176.382 -0.882 1
1 998 . 9 1 1 A 75 75 LYS CA C 75 57.300 55.613 1.687 1
1 999 . 9 1 1 A 75 75 LYS CB C 75 30.900 31.003 -0.103 1
1 1003 . 9 1 1 A 75 75 LYS N N 75 113.600 120.713 -7.113 1
1 1004 . 9 1 1 A 76 76 GLN H H 76 8.550 9.145 -0.595 1
1 1005 . 9 1 1 A 76 76 GLN HA H 76 4.470 4.076 0.394 1
1 1012 . 9 1 1 A 76 76 GLN C C 76 175.400 175.951 -0.551 1
1 1013 . 9 1 1 A 76 76 GLN CA C 76 54.700 58.188 -3.488 1
1 1014 . 9 1 1 A 76 76 GLN CB C 76 29.900 27.541 2.359 1
1 1017 . 9 1 1 A 76 76 GLN N N 76 122.200 113.663 8.537 1
1 1019 . 9 1 1 A 77 77 LEU H H 77 8.860 8.519 0.341 1
1 1020 . 9 1 1 A 77 77 LEU HA H 77 3.940 4.266 -0.326 1
1 1030 . 9 1 1 A 77 77 LEU C C 77 175.300 176.174 -0.874 1
1 1031 . 9 1 1 A 77 77 LEU CA C 77 56.800 56.418 0.382 1
1 1032 . 9 1 1 A 77 77 LEU CB C 77 41.800 42.629 -0.829 1
1 1036 . 9 1 1 A 77 77 LEU N N 77 128.900 125.791 3.109 1
1 1037 . 9 1 1 A 78 78 ILE H H 78 8.880 8.681 0.199 1
1 1038 . 9 1 1 A 78 78 ILE HA H 78 4.810 4.390 0.420 1
1 1048 . 9 1 1 A 78 78 ILE C C 78 174.600 175.839 -1.239 1
1 1049 . 9 1 1 A 78 78 ILE CA C 78 58.300 62.400 -4.100 1
1 1050 . 9 1 1 A 78 78 ILE CB C 78 38.270 39.316 -1.046 1
1 1054 . 9 1 1 A 78 78 ILE N N 78 126.900 126.599 0.301 1
1 1055 . 9 1 1 A 79 79 ALA H H 79 7.940 7.462 0.478 1
1 1056 . 9 1 1 A 79 79 ALA HA H 79 5.390 4.930 0.460 1
1 1060 . 9 1 1 A 79 79 ALA C C 79 175.300 175.082 0.218 1
1 1061 . 9 1 1 A 79 79 ALA CA C 79 51.600 51.582 0.018 1
1 1062 . 9 1 1 A 79 79 ALA CB C 79 24.000 22.670 1.330 1
1 1063 . 9 1 1 A 79 79 ALA N N 79 115.000 118.704 -3.704 1
1 1064 . 9 1 1 A 80 80 ILE H H 80 8.580 8.595 -0.015 1
1 1065 . 9 1 1 A 80 80 ILE HA H 80 4.840 5.124 -0.284 1
1 1075 . 9 1 1 A 80 80 ILE C C 80 175.000 175.993 -0.993 1
1 1076 . 9 1 1 A 80 80 ILE CA C 80 60.300 59.290 1.010 1
1 1077 . 9 1 1 A 80 80 ILE CB C 80 42.800 40.875 1.925 1
1 1081 . 9 1 1 A 80 80 ILE N N 80 117.900 120.531 -2.631 1
1 1082 . 9 1 1 A 81 81 GLY H H 81 8.200 7.437 0.763 1
1 1083 . 9 1 1 A 81 81 GLY HA2 H 81 3.750 3.978 -0.228 1
1 1084 . 9 1 1 A 81 81 GLY HA3 H 81 4.070 4.064 0.006 1
1 1085 . 9 1 1 A 81 81 GLY C C 81 169.100 171.878 -2.778 1
1 1086 . 9 1 1 A 81 81 GLY CA C 81 46.600 45.339 1.261 1
1 1087 . 9 1 1 A 81 81 GLY N N 81 116.400 112.444 3.956 1
1 1088 . 9 1 1 A 82 82 PHE H H 82 8.210 8.087 0.123 1
1 1089 . 9 1 1 A 82 82 PHE HA H 82 5.340 5.703 -0.363 1
1 1094 . 9 1 1 A 82 82 PHE C C 82 172.400 173.202 -0.802 1
1 1095 . 9 1 1 A 82 82 PHE CA C 82 56.300 55.626 0.674 1
1 1096 . 9 1 1 A 82 82 PHE CB C 82 40.100 42.591 -2.491 1
1 1099 . 9 1 1 A 82 82 PHE N N 82 114.500 113.886 0.614 1
1 1100 . 9 1 1 A 83 83 ILE H H 83 8.490 8.881 -0.391 1
1 1101 . 9 1 1 A 83 83 ILE HA H 83 4.740 4.521 0.219 1
1 1111 . 9 1 1 A 83 83 ILE C C 83 175.200 174.682 0.518 1
1 1112 . 9 1 1 A 83 83 ILE CA C 83 60.400 60.683 -0.283 1
1 1113 . 9 1 1 A 83 83 ILE CB C 83 39.500 38.310 1.190 1
1 1117 . 9 1 1 A 83 83 ILE N N 83 123.400 121.722 1.678 1
1 1118 . 9 1 1 A 84 84 ASP H H 84 8.550 8.766 -0.216 1
1 1119 . 9 1 1 A 84 84 ASP HA H 84 5.170 4.966 0.204 1
1 1122 . 9 1 1 A 84 84 ASP C C 84 178.600 175.889 2.711 1
1 1123 . 9 1 1 A 84 84 ASP CA C 84 52.200 53.529 -1.329 1
1 1124 . 9 1 1 A 84 84 ASP CB C 84 42.400 42.568 -0.168 1
1 1125 . 9 1 1 A 84 84 ASP N N 84 126.900 127.942 -1.042 1
1 1126 . 9 1 1 A 85 85 GLU H H 85 9.250 8.870 0.380 1
1 1127 . 9 1 1 A 85 85 GLU HA H 85 4.350 4.165 0.185 1
1 1132 . 9 1 1 A 85 85 GLU C C 85 176.800 176.676 0.124 1
1 1133 . 9 1 1 A 85 85 GLU CA C 85 58.400 58.821 -0.421 1
1 1134 . 9 1 1 A 85 85 GLU CB C 85 28.700 28.440 0.260 1
1 1136 . 9 1 1 A 85 85 GLU N N 85 118.000 122.298 -4.298 1
1 1137 . 9 1 1 A 86 86 ASN H H 86 8.280 8.640 -0.360 1
1 1138 . 9 1 1 A 86 86 ASN HA H 86 4.760 4.775 -0.015 1
1 1143 . 9 1 1 A 86 86 ASN C C 86 174.600 174.551 0.049 1
1 1144 . 9 1 1 A 86 86 ASN CA C 86 52.800 53.920 -1.120 1
1 1145 . 9 1 1 A 86 86 ASN CB C 86 38.900 40.885 -1.985 1
1 1147 . 9 1 1 A 86 86 ASN N N 86 118.300 123.194 -4.894 1
1 1149 . 9 1 1 A 87 87 HIS H H 87 8.570 7.457 1.113 1
1 1150 . 9 1 1 A 87 87 HIS HA H 87 3.940 4.916 -0.976 1
1 1154 . 9 1 1 A 87 87 HIS C C 87 173.600 174.480 -0.880 1
1 1155 . 9 1 1 A 87 87 HIS CA C 87 57.000 54.887 2.113 1
1 1156 . 9 1 1 A 87 87 HIS CB C 87 26.700 32.503 -5.803 1
1 1158 . 9 1 1 A 87 87 HIS N N 87 114.000 116.207 -2.207 1
1 1159 . 9 1 1 A 88 88 ASP H H 88 8.210 9.088 -0.878 1
1 1160 . 9 1 1 A 88 88 ASP HA H 88 4.840 4.126 0.714 1
1 1163 . 9 1 1 A 88 88 ASP C C 88 174.800 175.084 -0.284 1
1 1164 . 9 1 1 A 88 88 ASP CA C 88 53.900 54.725 -0.825 1
1 1165 . 9 1 1 A 88 88 ASP CB C 88 41.500 39.311 2.189 1
1 1166 . 9 1 1 A 88 88 ASP N N 88 120.300 121.582 -1.282 1
1 1167 . 9 1 1 A 89 89 MET H H 89 8.550 7.871 0.679 1
1 1168 . 9 1 1 A 89 89 MET HA H 89 4.450 4.347 0.103 1
1 1176 . 9 1 1 A 89 89 MET C C 89 173.400 174.540 -1.140 1
1 1177 . 9 1 1 A 89 89 MET CA C 89 55.800 54.311 1.489 1
1 1178 . 9 1 1 A 89 89 MET CB C 89 34.700 32.422 2.278 1
1 1181 . 9 1 1 A 89 89 MET N N 89 120.400 118.358 2.042 1
1 1182 . 9 1 1 A 90 90 ASP H H 90 8.420 7.766 0.654 1
1 1183 . 9 1 1 A 90 90 ASP HA H 90 4.580 4.517 0.063 1
1 1186 . 9 1 1 A 90 90 ASP C C 90 174.600 173.919 0.681 1
1 1187 . 9 1 1 A 90 90 ASP CA C 90 52.300 51.879 0.421 1
1 1188 . 9 1 1 A 90 90 ASP CB C 90 41.800 41.824 -0.024 1
1 1189 . 9 1 1 A 90 90 ASP N N 90 126.900 123.366 3.534 1
1 1190 . 9 1 1 A 91 91 PHE H H 91 8.350 8.774 -0.424 1
1 1191 . 9 1 1 A 91 91 PHE HA H 91 4.780 4.842 -0.062 1
1 1199 . 9 1 1 A 91 91 PHE C C 91 175.600 175.430 0.170 1
1 1200 . 9 1 1 A 91 91 PHE CA C 91 58.200 57.332 0.868 1
1 1201 . 9 1 1 A 91 91 PHE CB C 91 41.400 40.103 1.297 1
1 1207 . 9 1 1 A 91 91 PHE N N 91 118.600 124.571 -5.971 1
1 1208 . 9 1 1 A 92 92 LEU H H 92 9.060 8.825 0.235 1
1 1209 . 9 1 1 A 92 92 LEU HA H 92 4.330 4.463 -0.133 1
1 1219 . 9 1 1 A 92 92 LEU C C 92 175.700 176.605 -0.905 1
1 1220 . 9 1 1 A 92 92 LEU CA C 92 55.200 55.475 -0.275 1
1 1221 . 9 1 1 A 92 92 LEU CB C 92 43.500 43.034 0.466 1
1 1225 . 9 1 1 A 92 92 LEU N N 92 121.100 124.880 -3.780 1
1 1226 . 9 1 1 A 93 93 TYR H H 93 7.970 7.170 0.800 1
1 1227 . 9 1 1 A 93 93 TYR HA H 93 4.780 4.877 -0.097 1
1 1234 . 9 1 1 A 93 93 TYR C C 93 172.800 173.082 -0.282 1
1 1235 . 9 1 1 A 93 93 TYR CA C 93 57.600 58.193 -0.593 1
1 1236 . 9 1 1 A 93 93 TYR CB C 93 42.500 40.843 1.657 1
1 1241 . 9 1 1 A 93 93 TYR N N 93 118.600 118.203 0.397 1
1 1242 . 9 1 1 A 94 94 LEU H H 94 8.220 9.454 -1.234 1
1 1243 . 9 1 1 A 94 94 LEU HA H 94 5.060 4.974 0.086 1
1 1253 . 9 1 1 A 94 94 LEU C C 94 171.900 174.311 -2.411 1
1 1254 . 9 1 1 A 94 94 LEU CA C 94 55.100 53.221 1.879 1
1 1255 . 9 1 1 A 94 94 LEU CB C 94 44.800 45.042 -0.242 1
1 1259 . 9 1 1 A 94 94 LEU N N 94 128.600 129.926 -1.326 1
1 1260 . 9 1 1 A 95 95 HIS H H 95 9.720 8.752 0.968 1
1 1261 . 9 1 1 A 95 95 HIS HA H 95 4.570 4.923 -0.353 1
1 1266 . 9 1 1 A 95 95 HIS C C 95 173.100 174.062 -0.962 1
1 1267 . 9 1 1 A 95 95 HIS CA C 95 55.500 53.898 1.602 1
1 1268 . 9 1 1 A 95 95 HIS CB C 95 35.900 32.092 3.808 1
1 1271 . 9 1 1 A 95 95 HIS N N 95 133.000 126.138 6.862 1
1 1272 . 9 1 1 A 96 96 ASN H H 96 7.670 8.598 -0.928 1
1 1273 . 9 1 1 A 96 96 ASN HA H 96 4.930 4.799 0.131 1
1 1278 . 9 1 1 A 96 96 ASN C C 96 176.100 176.463 -0.363 1
1 1279 . 9 1 1 A 96 96 ASN CA C 96 51.000 52.588 -1.588 1
1 1280 . 9 1 1 A 96 96 ASN CB C 96 38.500 39.593 -1.093 1
1 1281 . 9 1 1 A 96 96 ASN N N 96 118.600 124.905 -6.305 1
1 1283 . 9 1 1 A 97 97 THR H H 97 10.580 8.431 2.149 1
1 1284 . 9 1 1 A 97 97 THR HA H 97 4.090 4.050 0.040 1
1 1289 . 9 1 1 A 97 97 THR C C 97 174.600 174.785 -0.185 1
1 1290 . 9 1 1 A 97 97 THR CA C 97 67.000 64.560 2.440 1
1 1291 . 9 1 1 A 97 97 THR CB C 97 68.300 68.858 -0.558 1
1 1293 . 9 1 1 A 97 97 THR N N 97 116.300 114.888 1.412 1
1 1294 . 9 1 1 A 98 98 VAL H H 98 8.440 7.589 0.851 1
1 1295 . 9 1 1 A 98 98 VAL HA H 98 4.180 4.266 -0.086 1
1 1303 . 9 1 1 A 98 98 VAL C C 98 174.800 174.205 0.595 1
1 1304 . 9 1 1 A 98 98 VAL CA C 98 64.400 61.350 3.050 1
1 1305 . 9 1 1 A 98 98 VAL CB C 98 33.100 32.427 0.673 1
1 1308 . 9 1 1 A 98 98 VAL N N 98 123.900 120.012 3.888 1
1 1309 . 9 1 1 A 99 99 MET H H 99 8.590 7.475 1.115 1
1 1310 . 9 1 1 A 99 99 MET HA H 99 4.720 4.831 -0.111 1
1 1318 . 9 1 1 A 99 99 MET CA C 99 52.400 52.542 -0.142 1
1 1319 . 9 1 1 A 99 99 MET CB C 99 34.100 32.248 1.852 1
1 1322 . 9 1 1 A 99 99 MET N N 99 118.700 118.464 0.236 1
1 1323 . 9 1 1 A 100 100 PRO HA H 100 4.210 4.401 -0.191 1
1 1330 . 9 1 1 A 100 100 PRO C C 100 175.900 176.237 -0.337 1
1 1331 . 9 1 1 A 100 100 PRO CA C 100 62.100 63.097 -0.997 1
1 1332 . 9 1 1 A 100 100 PRO CB C 100 31.000 31.933 -0.933 1
1 1335 . 9 1 1 A 101 101 LEU H H 101 9.010 8.680 0.330 1
1 1336 . 9 1 1 A 101 101 LEU HA H 101 4.310 4.277 0.033 1
1 1346 . 9 1 1 A 101 101 LEU C C 101 176.900 177.021 -0.121 1
1 1347 . 9 1 1 A 101 101 LEU CA C 101 55.000 55.600 -0.600 1
1 1348 . 9 1 1 A 101 101 LEU CB C 101 42.800 42.642 0.158 1
1 1352 . 9 1 1 A 101 101 LEU N N 101 124.000 119.692 4.308 1
1 1353 . 9 1 1 A 102 102 LEU H H 102 7.620 7.926 -0.306 1
1 1354 . 9 1 1 A 102 102 LEU HA H 102 4.360 4.859 -0.499 1
1 1364 . 9 1 1 A 102 102 LEU C C 102 174.800 174.694 0.106 1
1 1365 . 9 1 1 A 102 102 LEU CA C 102 54.900 53.841 1.059 1
1 1366 . 9 1 1 A 102 102 LEU CB C 102 45.300 44.667 0.633 1
1 1370 . 9 1 1 A 102 102 LEU N N 102 119.000 119.595 -0.595 1
1 1371 . 9 1 1 A 103 103 ASP H H 103 9.120 8.855 0.265 1
1 1372 . 9 1 1 A 103 103 ASP HA H 103 5.100 5.052 0.048 1
1 1375 . 9 1 1 A 103 103 ASP C C 103 174.500 174.621 -0.121 1
1 1376 . 9 1 1 A 103 103 ASP CA C 103 54.900 53.114 1.786 1
1 1377 . 9 1 1 A 103 103 ASP CB C 103 41.000 41.670 -0.670 1
1 1378 . 9 1 1 A 103 103 ASP N N 103 120.700 126.442 -5.742 1
1 1379 . 9 1 1 A 104 104 GLN H H 104 8.990 8.194 0.796 1
1 1380 . 9 1 1 A 104 104 GLN HA H 104 4.710 4.700 0.010 1
1 1387 . 9 1 1 A 104 104 GLN C C 104 176.100 176.269 -0.169 1
1 1388 . 9 1 1 A 104 104 GLN CA C 104 54.100 55.291 -1.191 1
1 1389 . 9 1 1 A 104 104 GLN CB C 104 28.500 29.549 -1.049 1
1 1392 . 9 1 1 A 104 104 GLN N N 104 125.400 121.376 4.024 1
1 1394 . 9 1 1 A 105 105 ARG H H 105 8.380 8.941 -0.561 1
1 1395 . 9 1 1 A 105 105 ARG HA H 105 3.510 3.908 -0.398 1
1 1402 . 9 1 1 A 105 105 ARG C C 105 177.500 177.930 -0.430 1
1 1403 . 9 1 1 A 105 105 ARG CA C 105 60.200 59.717 0.483 1
1 1404 . 9 1 1 A 105 105 ARG CB C 105 29.400 29.695 -0.295 1
1 1407 . 9 1 1 A 105 105 ARG N N 105 117.700 125.872 -8.172 1
1 1408 . 9 1 1 A 106 106 TYR H H 106 7.800 8.040 -0.240 1
1 1409 . 9 1 1 A 106 106 TYR HA H 106 4.360 4.407 -0.047 1
1 1416 . 9 1 1 A 106 106 TYR C C 106 176.800 178.472 -1.672 1
1 1417 . 9 1 1 A 106 106 TYR CA C 106 58.600 60.404 -1.804 1
1 1418 . 9 1 1 A 106 106 TYR CB C 106 36.000 38.479 -2.479 1
1 1423 . 9 1 1 A 106 106 TYR N N 106 118.100 119.346 -1.246 1
1 1424 . 9 1 1 A 107 107 LEU H H 107 7.170 8.400 -1.230 1
1 1425 . 9 1 1 A 107 107 LEU HA H 107 3.970 4.067 -0.097 1
1 1435 . 9 1 1 A 107 107 LEU C C 107 178.300 179.183 -0.883 1
1 1436 . 9 1 1 A 107 107 LEU CA C 107 56.600 57.877 -1.277 1
1 1437 . 9 1 1 A 107 107 LEU CB C 107 41.800 41.363 0.437 1
1 1441 . 9 1 1 A 107 107 LEU N N 107 121.900 120.467 1.433 1
1 1442 . 9 1 1 A 108 108 LEU H H 108 7.680 7.647 0.033 1
1 1443 . 9 1 1 A 108 108 LEU HA H 108 4.070 3.654 0.416 1
1 1453 . 9 1 1 A 108 108 LEU C C 108 177.500 177.760 -0.260 1
1 1454 . 9 1 1 A 108 108 LEU CA C 108 55.400 58.037 -2.637 1
1 1455 . 9 1 1 A 108 108 LEU CB C 108 41.500 41.598 -0.098 1
1 1459 . 9 1 1 A 108 108 LEU N N 108 115.400 120.130 -4.730 1
1 1460 . 9 1 1 A 109 109 THR H H 109 7.510 8.053 -0.543 1
1 1461 . 9 1 1 A 109 109 THR HA H 109 4.310 4.563 -0.253 1
1 1466 . 9 1 1 A 109 109 THR C C 109 175.300 174.690 0.610 1
1 1467 . 9 1 1 A 109 109 THR CA C 109 61.600 62.569 -0.969 1
1 1468 . 9 1 1 A 109 109 THR CB C 109 69.500 69.725 -0.225 1
1 1470 . 9 1 1 A 109 109 THR N N 109 108.800 112.681 -3.881 1
1 1471 . 9 1 1 A 110 110 GLY H H 110 8.010 8.259 -0.249 1
1 1472 . 9 1 1 A 110 110 GLY HA2 H 110 3.950 4.096 -0.146 1
1 1473 . 9 1 1 A 110 110 GLY HA3 H 110 4.030 4.105 -0.075 1
1 1474 . 9 1 1 A 110 110 GLY C C 110 174.500 175.398 -0.898 1
1 1475 . 9 1 1 A 110 110 GLY CA C 110 45.400 47.168 -1.768 1
1 1476 . 9 1 1 A 110 110 GLY N N 110 110.100 111.008 -0.908 1
1 1477 . 9 1 1 A 111 111 GLY H H 111 8.310 8.088 0.222 1
1 1478 . 9 1 1 A 111 111 GLY HA2 H 111 3.930 4.030 -0.100 1
1 1479 . 9 1 1 A 111 111 GLY HA3 H 111 3.930 4.083 -0.153 1
1 1480 . 9 1 1 A 111 111 GLY C C 111 173.700 173.088 0.612 1
1 1481 . 9 1 1 A 111 111 GLY CA C 111 45.400 45.419 -0.019 1
1 1482 . 9 1 1 A 111 111 GLY N N 111 108.300 107.266 1.034 1
1 1483 . 9 1 1 A 112 112 GLN H H 112 8.280 8.476 -0.196 1
1 1484 . 9 1 1 A 112 112 GLN HA H 112 4.270 4.403 -0.133 1
1 1491 . 9 1 1 A 112 112 GLN C C 112 175.700 175.883 -0.183 1
1 1492 . 9 1 1 A 112 112 GLN CA C 112 55.600 55.231 0.369 1
1 1493 . 9 1 1 A 112 112 GLN CB C 112 29.200 30.145 -0.945 1
1 1496 . 9 1 1 A 112 112 GLN N N 112 119.200 119.504 -0.304 1
1 1498 . 9 1 1 A 113 113 LEU H H 113 8.260 8.290 -0.030 1
1 1499 . 9 1 1 A 113 113 LEU HA H 113 4.180 4.500 -0.320 1
1 1509 . 9 1 1 A 113 113 LEU C C 113 177.000 176.544 0.456 1
1 1510 . 9 1 1 A 113 113 LEU CA C 113 55.100 55.142 -0.042 1
1 1511 . 9 1 1 A 113 113 LEU CB C 113 42.100 43.005 -0.905 1
1 1515 . 9 1 1 A 113 113 LEU N N 113 122.800 123.164 -0.364 1
1 1516 . 9 1 1 A 114 114 GLU H H 114 8.290 8.471 -0.181 1
1 1517 . 9 1 1 A 114 114 GLU HA H 114 4.140 4.506 -0.366 1
1 1522 . 9 1 1 A 114 114 GLU CA C 114 56.300 56.565 -0.265 1
1 1523 . 9 1 1 A 114 114 GLU CB C 114 30.200 30.501 -0.301 1
1 1 . 10 1 1 A 2 2 THR HA H 2 4.300 4.385 -0.085 1
1 6 . 10 1 1 A 2 2 THR C C 2 174.800 175.726 -0.926 1
1 7 . 10 1 1 A 2 2 THR CA C 2 61.100 62.973 -1.873 1
1 8 . 10 1 1 A 2 2 THR CB C 2 70.400 69.638 0.762 1
1 10 . 10 1 1 A 3 3 LEU H H 3 8.760 7.910 0.850 1
1 11 . 10 1 1 A 3 3 LEU HA H 3 4.110 3.927 0.183 1
1 21 . 10 1 1 A 3 3 LEU C C 3 178.300 179.093 -0.793 1
1 22 . 10 1 1 A 3 3 LEU CA C 3 57.800 57.850 -0.050 1
1 23 . 10 1 1 A 3 3 LEU CB C 3 41.600 41.188 0.412 1
1 27 . 10 1 1 A 3 3 LEU N N 3 123.600 122.231 1.369 1
1 28 . 10 1 1 A 4 4 GLU H H 4 8.740 8.210 0.530 1
1 29 . 10 1 1 A 4 4 GLU HA H 4 3.670 4.144 -0.474 1
1 34 . 10 1 1 A 4 4 GLU C C 4 177.900 178.650 -0.750 1
1 35 . 10 1 1 A 4 4 GLU CA C 4 60.000 59.140 0.860 1
1 36 . 10 1 1 A 4 4 GLU CB C 4 29.200 29.383 -0.183 1
1 38 . 10 1 1 A 4 4 GLU N N 4 116.500 118.057 -1.557 1
1 39 . 10 1 1 A 5 5 LEU H H 5 7.340 8.134 -0.794 1
1 40 . 10 1 1 A 5 5 LEU HA H 5 3.900 4.048 -0.148 1
1 50 . 10 1 1 A 5 5 LEU C C 5 178.900 178.313 0.587 1
1 51 . 10 1 1 A 5 5 LEU CA C 5 56.900 57.642 -0.742 1
1 52 . 10 1 1 A 5 5 LEU CB C 5 41.200 41.900 -0.700 1
1 56 . 10 1 1 A 5 5 LEU N N 5 120.500 122.240 -1.740 1
1 57 . 10 1 1 A 6 6 GLN H H 6 8.350 8.509 -0.159 1
1 58 . 10 1 1 A 6 6 GLN HA H 6 3.970 4.023 -0.053 1
1 63 . 10 1 1 A 6 6 GLN C C 6 179.700 177.989 1.711 1
1 64 . 10 1 1 A 6 6 GLN CA C 6 59.100 58.714 0.386 1
1 65 . 10 1 1 A 6 6 GLN CB C 6 29.100 28.105 0.995 1
1 67 . 10 1 1 A 6 6 GLN N N 6 120.800 118.700 2.100 1
1 68 . 10 1 1 A 7 7 LEU H H 7 8.620 8.297 0.323 1
1 69 . 10 1 1 A 7 7 LEU HA H 7 4.010 4.128 -0.118 1
1 79 . 10 1 1 A 7 7 LEU C C 7 176.900 178.323 -1.423 1
1 80 . 10 1 1 A 7 7 LEU CA C 7 57.800 57.922 -0.122 1
1 81 . 10 1 1 A 7 7 LEU CB C 7 41.700 41.788 -0.088 1
1 85 . 10 1 1 A 7 7 LEU N N 7 121.000 121.339 -0.339 1
1 86 . 10 1 1 A 8 8 LYS H H 8 7.750 7.788 -0.038 1
1 87 . 10 1 1 A 8 8 LYS HA H 8 3.570 3.809 -0.239 1
1 96 . 10 1 1 A 8 8 LYS C C 8 179.400 178.707 0.693 1
1 97 . 10 1 1 A 8 8 LYS CA C 8 59.000 58.875 0.125 1
1 98 . 10 1 1 A 8 8 LYS CB C 8 32.400 31.649 0.751 1
1 102 . 10 1 1 A 8 8 LYS N N 8 119.700 119.273 0.427 1
1 103 . 10 1 1 A 9 9 HIS H H 9 8.520 7.969 0.551 1
1 104 . 10 1 1 A 9 9 HIS HA H 9 4.050 4.420 -0.370 1
1 107 . 10 1 1 A 9 9 HIS C C 9 176.500 176.615 -0.115 1
1 108 . 10 1 1 A 9 9 HIS CA C 9 59.400 58.951 0.449 1
1 109 . 10 1 1 A 9 9 HIS CB C 9 29.900 30.471 -0.571 1
1 110 . 10 1 1 A 9 9 HIS N N 9 120.500 119.454 1.046 1
1 111 . 10 1 1 A 10 10 TYR H H 10 7.990 8.285 -0.295 1
1 112 . 10 1 1 A 10 10 TYR HA H 10 4.160 3.822 0.338 1
1 119 . 10 1 1 A 10 10 TYR C C 10 177.400 177.029 0.371 1
1 120 . 10 1 1 A 10 10 TYR CA C 10 61.800 61.411 0.389 1
1 121 . 10 1 1 A 10 10 TYR CB C 10 39.500 38.882 0.618 1
1 126 . 10 1 1 A 10 10 TYR N N 10 119.200 119.959 -0.759 1
1 127 . 10 1 1 A 11 11 ILE H H 11 8.710 8.350 0.360 1
1 128 . 10 1 1 A 11 11 ILE HA H 11 3.540 3.415 0.125 1
1 138 . 10 1 1 A 11 11 ILE CA C 11 61.600 64.449 -2.849 1
1 139 . 10 1 1 A 11 11 ILE CB C 11 36.200 37.783 -1.583 1
1 143 . 10 1 1 A 11 11 ILE N N 11 118.900 120.558 -1.658 1
1 144 . 10 1 1 A 12 12 THR HA H 12 3.840 4.020 -0.180 1
1 149 . 10 1 1 A 12 12 THR C C 12 176.900 177.492 -0.592 1
1 150 . 10 1 1 A 12 12 THR CA C 12 66.400 65.932 0.468 1
1 151 . 10 1 1 A 12 12 THR CB C 12 68.300 68.210 0.090 1
1 153 . 10 1 1 A 13 13 ASN H H 13 7.440 8.046 -0.606 1
1 154 . 10 1 1 A 13 13 ASN HA H 13 4.420 4.383 0.037 1
1 159 . 10 1 1 A 13 13 ASN C C 13 176.700 177.909 -1.209 1
1 160 . 10 1 1 A 13 13 ASN CA C 13 55.900 56.019 -0.119 1
1 161 . 10 1 1 A 13 13 ASN CB C 13 38.600 37.799 0.801 1
1 163 . 10 1 1 A 13 13 ASN N N 13 118.300 121.281 -2.981 1
1 165 . 10 1 1 A 14 14 LEU H H 14 7.890 7.459 0.431 1
1 166 . 10 1 1 A 14 14 LEU HA H 14 3.660 3.737 -0.077 1
1 176 . 10 1 1 A 14 14 LEU C C 14 177.900 177.832 0.068 1
1 177 . 10 1 1 A 14 14 LEU CA C 14 57.600 57.477 0.123 1
1 178 . 10 1 1 A 14 14 LEU CB C 14 42.600 41.259 1.341 1
1 182 . 10 1 1 A 14 14 LEU N N 14 122.100 121.462 0.638 1
1 183 . 10 1 1 A 15 15 PHE H H 15 7.670 7.657 0.013 1
1 184 . 10 1 1 A 15 15 PHE HA H 15 4.490 4.518 -0.028 1
1 191 . 10 1 1 A 15 15 PHE C C 15 173.800 174.734 -0.934 1
1 192 . 10 1 1 A 15 15 PHE CA C 15 57.900 57.129 0.771 1
1 193 . 10 1 1 A 15 15 PHE CB C 15 38.900 39.740 -0.840 1
1 198 . 10 1 1 A 15 15 PHE N N 15 111.800 114.099 -2.299 1
1 199 . 10 1 1 A 16 16 ASN H H 16 7.450 8.130 -0.680 1
1 200 . 10 1 1 A 16 16 ASN HA H 16 4.420 4.278 0.142 1
1 205 . 10 1 1 A 16 16 ASN C C 16 174.200 174.000 0.200 1
1 206 . 10 1 1 A 16 16 ASN CA C 16 54.100 54.103 -0.003 1
1 207 . 10 1 1 A 16 16 ASN CB C 16 36.500 37.284 -0.784 1
1 209 . 10 1 1 A 16 16 ASN N N 16 118.500 118.034 0.466 1
1 211 . 10 1 1 A 17 17 LEU H H 17 8.410 8.083 0.327 1
1 212 . 10 1 1 A 17 17 LEU HA H 17 4.630 4.514 0.116 1
1 222 . 10 1 1 A 17 17 LEU CA C 17 52.300 52.640 -0.340 1
1 223 . 10 1 1 A 17 17 LEU CB C 17 41.000 41.382 -0.382 1
1 227 . 10 1 1 A 17 17 LEU N N 17 118.700 119.939 -1.239 1
1 228 . 10 1 1 A 18 18 PRO HA H 18 4.380 4.641 -0.261 1
1 235 . 10 1 1 A 18 18 PRO C C 18 178.600 177.059 1.541 1
1 236 . 10 1 1 A 18 18 PRO CA C 18 63.100 62.886 0.214 1
1 237 . 10 1 1 A 18 18 PRO CB C 18 31.800 32.122 -0.322 1
1 240 . 10 1 1 A 19 19 ARG H H 19 8.650 8.638 0.012 1
1 241 . 10 1 1 A 19 19 ARG HA H 19 3.820 4.136 -0.316 1
1 248 . 10 1 1 A 19 19 ARG C C 19 176.500 176.903 -0.403 1
1 249 . 10 1 1 A 19 19 ARG CA C 19 58.100 57.729 0.371 1
1 250 . 10 1 1 A 19 19 ARG CB C 19 30.300 30.326 -0.026 1
1 253 . 10 1 1 A 19 19 ARG N N 19 124.600 122.096 2.504 1
1 254 . 10 1 1 A 20 20 ASP H H 20 8.390 8.072 0.318 1
1 255 . 10 1 1 A 20 20 ASP HA H 20 4.550 4.548 0.002 1
1 258 . 10 1 1 A 20 20 ASP C C 20 175.700 176.158 -0.458 1
1 259 . 10 1 1 A 20 20 ASP CA C 20 53.000 54.255 -1.255 1
1 260 . 10 1 1 A 20 20 ASP CB C 20 40.400 39.698 0.702 1
1 261 . 10 1 1 A 20 20 ASP N N 20 114.300 116.654 -2.354 1
1 262 . 10 1 1 A 21 21 GLU H H 21 6.780 7.852 -1.072 1
1 263 . 10 1 1 A 21 21 GLU HA H 21 4.150 4.363 -0.213 1
1 268 . 10 1 1 A 21 21 GLU C C 21 175.400 176.231 -0.831 1
1 269 . 10 1 1 A 21 21 GLU CA C 21 56.200 56.421 -0.221 1
1 270 . 10 1 1 A 21 21 GLU CB C 21 31.600 30.413 1.187 1
1 272 . 10 1 1 A 21 21 GLU N N 21 121.600 121.396 0.204 1
1 273 . 10 1 1 A 22 22 LYS H H 22 8.860 8.586 0.274 1
1 274 . 10 1 1 A 22 22 LYS HA H 22 4.160 4.751 -0.591 1
1 283 . 10 1 1 A 22 22 LYS C C 22 176.100 175.588 0.512 1
1 284 . 10 1 1 A 22 22 LYS CA C 22 57.200 55.533 1.667 1
1 285 . 10 1 1 A 22 22 LYS CB C 22 33.000 33.275 -0.275 1
1 289 . 10 1 1 A 22 22 LYS N N 22 128.900 125.372 3.528 1
1 290 . 10 1 1 A 23 23 TRP H H 23 8.750 9.059 -0.309 1
1 291 . 10 1 1 A 23 23 TRP HA H 23 5.400 5.227 0.173 1
1 300 . 10 1 1 A 23 23 TRP C C 23 176.500 176.233 0.267 1
1 301 . 10 1 1 A 23 23 TRP CA C 23 54.600 56.534 -1.934 1
1 302 . 10 1 1 A 23 23 TRP CB C 23 31.100 31.474 -0.374 1
1 308 . 10 1 1 A 23 23 TRP N N 23 126.100 125.066 1.034 1
1 310 . 10 1 1 A 24 24 GLU H H 24 9.040 8.857 0.183 1
1 311 . 10 1 1 A 24 24 GLU HA H 24 4.590 4.998 -0.408 1
1 316 . 10 1 1 A 24 24 GLU C C 24 174.100 175.602 -1.502 1
1 317 . 10 1 1 A 24 24 GLU CA C 24 54.200 55.370 -1.170 1
1 318 . 10 1 1 A 24 24 GLU CB C 24 31.600 32.183 -0.583 1
1 320 . 10 1 1 A 24 24 GLU N N 24 122.700 122.421 0.279 1
1 321 . 10 1 1 A 25 25 CYS H H 25 8.740 8.913 -0.173 1
1 322 . 10 1 1 A 25 25 CYS HA H 25 4.870 5.046 -0.176 1
1 325 . 10 1 1 A 25 25 CYS C C 25 174.400 174.069 0.331 1
1 326 . 10 1 1 A 25 25 CYS CA C 25 57.200 57.857 -0.657 1
1 327 . 10 1 1 A 25 25 CYS CB C 25 30.200 28.468 1.732 1
1 328 . 10 1 1 A 25 25 CYS N N 25 119.900 123.653 -3.753 1
1 329 . 10 1 1 A 26 26 GLU H H 26 9.220 9.096 0.124 1
1 330 . 10 1 1 A 26 26 GLU HA H 26 4.740 4.871 -0.131 1
1 335 . 10 1 1 A 26 26 GLU C C 26 175.000 174.348 0.652 1
1 336 . 10 1 1 A 26 26 GLU CA C 26 55.100 55.037 0.063 1
1 337 . 10 1 1 A 26 26 GLU CB C 26 31.700 31.717 -0.017 1
1 339 . 10 1 1 A 26 26 GLU N N 26 131.200 125.183 6.017 1
1 340 . 10 1 1 A 27 27 SER H H 27 8.900 8.744 0.156 1
1 341 . 10 1 1 A 27 27 SER HA H 27 5.750 4.854 0.896 1
1 344 . 10 1 1 A 27 27 SER C C 27 173.600 173.281 0.319 1
1 345 . 10 1 1 A 27 27 SER CA C 27 56.700 56.746 -0.046 1
1 346 . 10 1 1 A 27 27 SER CB C 27 64.200 63.891 0.309 1
1 347 . 10 1 1 A 27 27 SER N N 27 125.100 120.266 4.834 1
1 348 . 10 1 1 A 28 28 ILE H H 28 8.540 8.470 0.070 1
1 349 . 10 1 1 A 28 28 ILE HA H 28 4.680 4.953 -0.273 1
1 359 . 10 1 1 A 28 28 ILE C C 28 174.100 173.006 1.094 1
1 360 . 10 1 1 A 28 28 ILE CA C 28 59.800 59.337 0.463 1
1 361 . 10 1 1 A 28 28 ILE CB C 28 42.700 42.107 0.593 1
1 365 . 10 1 1 A 28 28 ILE N N 28 123.200 128.839 -5.639 1
1 366 . 10 1 1 A 29 29 GLU H H 29 8.430 9.048 -0.618 1
1 367 . 10 1 1 A 29 29 GLU HA H 29 5.430 5.040 0.390 1
1 372 . 10 1 1 A 29 29 GLU C C 29 176.000 175.542 0.458 1
1 373 . 10 1 1 A 29 29 GLU CA C 29 55.600 55.429 0.171 1
1 374 . 10 1 1 A 29 29 GLU CB C 29 31.200 31.419 -0.219 1
1 376 . 10 1 1 A 29 29 GLU N N 29 123.900 130.203 -6.303 1
1 377 . 10 1 1 A 30 30 GLU H H 30 8.850 8.504 0.346 1
1 378 . 10 1 1 A 30 30 GLU HA H 30 4.730 4.946 -0.216 1
1 383 . 10 1 1 A 30 30 GLU C C 30 174.300 176.044 -1.744 1
1 384 . 10 1 1 A 30 30 GLU CA C 30 54.700 54.332 0.368 1
1 385 . 10 1 1 A 30 30 GLU CB C 30 34.400 33.852 0.548 1
1 387 . 10 1 1 A 30 30 GLU N N 30 121.900 125.472 -3.572 1
1 388 . 10 1 1 A 31 31 VAL H H 31 9.260 8.879 0.381 1
1 389 . 10 1 1 A 31 31 VAL HA H 31 4.250 4.092 0.158 1
1 397 . 10 1 1 A 31 31 VAL C C 31 177.700 177.194 0.506 1
1 398 . 10 1 1 A 31 31 VAL CA C 31 62.500 63.351 -0.851 1
1 399 . 10 1 1 A 31 31 VAL CB C 31 31.800 31.796 0.004 1
1 402 . 10 1 1 A 31 31 VAL N N 31 124.500 121.788 2.712 1
1 403 . 10 1 1 A 32 32 ALA H H 32 9.250 8.875 0.375 1
1 404 . 10 1 1 A 32 32 ALA HA H 32 3.710 4.012 -0.302 1
1 408 . 10 1 1 A 32 32 ALA C C 32 178.600 178.919 -0.319 1
1 409 . 10 1 1 A 32 32 ALA CA C 32 55.800 55.098 0.702 1
1 410 . 10 1 1 A 32 32 ALA CB C 32 19.400 18.285 1.115 1
1 411 . 10 1 1 A 32 32 ALA N N 32 129.900 128.153 1.747 1
1 412 . 10 1 1 A 33 33 ASP H H 33 9.510 8.157 1.353 1
1 413 . 10 1 1 A 33 33 ASP HA H 33 4.180 4.461 -0.281 1
1 416 . 10 1 1 A 33 33 ASP C C 33 176.300 176.803 -0.503 1
1 417 . 10 1 1 A 33 33 ASP CA C 33 54.600 56.118 -1.518 1
1 418 . 10 1 1 A 33 33 ASP CB C 33 39.200 40.698 -1.498 1
1 419 . 10 1 1 A 33 33 ASP N N 33 110.700 117.999 -7.299 1
1 420 . 10 1 1 A 34 34 ASP H H 34 7.830 7.952 -0.122 1
1 421 . 10 1 1 A 34 34 ASP HA H 34 4.650 4.516 0.134 1
1 424 . 10 1 1 A 34 34 ASP C C 34 176.300 177.284 -0.984 1
1 425 . 10 1 1 A 34 34 ASP CA C 34 55.100 56.188 -1.088 1
1 426 . 10 1 1 A 34 34 ASP CB C 34 41.000 41.300 -0.300 1
1 427 . 10 1 1 A 34 34 ASP N N 34 114.700 118.229 -3.529 1
1 428 . 10 1 1 A 35 35 ILE H H 35 7.290 7.179 0.111 1
1 429 . 10 1 1 A 35 35 ILE HA H 35 4.490 4.210 0.280 1
1 439 . 10 1 1 A 35 35 ILE C C 35 174.100 176.278 -2.178 1
1 440 . 10 1 1 A 35 35 ILE CA C 35 60.700 62.043 -1.343 1
1 441 . 10 1 1 A 35 35 ILE CB C 35 40.600 38.725 1.875 1
1 445 . 10 1 1 A 35 35 ILE N N 35 113.400 111.087 2.313 1
1 446 . 10 1 1 A 36 36 LEU H H 36 7.730 7.957 -0.227 1
1 447 . 10 1 1 A 36 36 LEU HA H 36 4.800 4.598 0.202 1
1 457 . 10 1 1 A 36 36 LEU CA C 36 52.200 54.035 -1.835 1
1 458 . 10 1 1 A 36 36 LEU CB C 36 42.700 41.228 1.472 1
1 462 . 10 1 1 A 36 36 LEU N N 36 120.400 124.393 -3.993 1
1 463 . 10 1 1 A 37 37 PRO HA H 37 4.440 4.654 -0.214 1
1 470 . 10 1 1 A 37 37 PRO C C 37 177.100 177.580 -0.480 1
1 471 . 10 1 1 A 37 37 PRO CA C 37 63.100 62.932 0.168 1
1 472 . 10 1 1 A 37 37 PRO CB C 37 32.700 32.841 -0.141 1
1 475 . 10 1 1 A 38 38 ASP H H 38 8.690 9.040 -0.350 1
1 476 . 10 1 1 A 38 38 ASP HA H 38 4.230 4.354 -0.124 1
1 479 . 10 1 1 A 38 38 ASP C C 38 177.800 177.912 -0.112 1
1 480 . 10 1 1 A 38 38 ASP CA C 38 57.900 56.687 1.213 1
1 481 . 10 1 1 A 38 38 ASP CB C 38 42.200 40.506 1.694 1
1 482 . 10 1 1 A 38 38 ASP N N 38 123.800 124.532 -0.732 1
1 483 . 10 1 1 A 39 39 GLN H H 39 9.080 8.348 0.732 1
1 484 . 10 1 1 A 39 39 GLN HA H 39 3.990 4.130 -0.140 1
1 491 . 10 1 1 A 39 39 GLN C C 39 176.400 177.305 -0.905 1
1 492 . 10 1 1 A 39 39 GLN CA C 39 58.000 58.638 -0.638 1
1 493 . 10 1 1 A 39 39 GLN CB C 39 27.300 28.284 -0.984 1
1 496 . 10 1 1 A 39 39 GLN N N 39 115.100 118.959 -3.859 1
1 498 . 10 1 1 A 40 40 TYR H H 40 7.510 8.046 -0.536 1
1 499 . 10 1 1 A 40 40 TYR HA H 40 4.730 4.333 0.397 1
1 506 . 10 1 1 A 40 40 TYR C C 40 174.200 176.520 -2.320 1
1 507 . 10 1 1 A 40 40 TYR CA C 40 57.000 59.498 -2.498 1
1 508 . 10 1 1 A 40 40 TYR CB C 40 39.400 38.792 0.608 1
1 513 . 10 1 1 A 40 40 TYR N N 40 116.800 121.311 -4.511 1
1 514 . 10 1 1 A 41 41 VAL H H 41 7.370 7.368 0.002 1
1 515 . 10 1 1 A 41 41 VAL HA H 41 4.000 4.044 -0.044 1
1 523 . 10 1 1 A 41 41 VAL C C 41 175.400 177.039 -1.639 1
1 524 . 10 1 1 A 41 41 VAL CA C 41 62.800 62.450 0.350 1
1 525 . 10 1 1 A 41 41 VAL CB C 41 34.300 31.998 2.302 1
1 528 . 10 1 1 A 41 41 VAL N N 41 116.100 117.820 -1.720 1
1 529 . 10 1 1 A 42 42 ARG H H 42 7.990 7.997 -0.007 1
1 530 . 10 1 1 A 42 42 ARG HA H 42 3.970 4.215 -0.245 1
1 537 . 10 1 1 A 42 42 ARG C C 42 176.600 178.145 -1.545 1
1 538 . 10 1 1 A 42 42 ARG CA C 42 58.500 58.164 0.336 1
1 539 . 10 1 1 A 42 42 ARG CB C 42 29.700 29.691 0.009 1
1 542 . 10 1 1 A 42 42 ARG N N 42 120.900 122.063 -1.163 1
1 543 . 10 1 1 A 43 43 LEU H H 43 8.930 7.438 1.492 1
1 544 . 10 1 1 A 43 43 LEU HA H 43 4.060 3.988 0.072 1
1 554 . 10 1 1 A 43 43 LEU C C 43 176.200 176.831 -0.631 1
1 555 . 10 1 1 A 43 43 LEU CA C 43 56.100 56.168 -0.068 1
1 556 . 10 1 1 A 43 43 LEU CB C 43 40.100 42.540 -2.440 1
1 560 . 10 1 1 A 43 43 LEU N N 43 119.500 119.187 0.313 1
1 561 . 10 1 1 A 44 44 GLY H H 44 7.890 7.387 0.503 1
1 562 . 10 1 1 A 44 44 GLY HA2 H 44 3.930 3.948 -0.018 1
1 563 . 10 1 1 A 44 44 GLY HA3 H 44 4.540 3.949 0.591 1
1 564 . 10 1 1 A 44 44 GLY CA C 44 44.900 45.598 -0.698 1
1 565 . 10 1 1 A 44 44 GLY N N 44 107.000 106.188 0.812 1
1 566 . 10 1 1 A 45 45 PRO HA H 45 4.360 4.319 0.041 1
1 573 . 10 1 1 A 45 45 PRO C C 45 176.900 177.812 -0.912 1
1 574 . 10 1 1 A 45 45 PRO CA C 45 64.400 65.097 -0.697 1
1 575 . 10 1 1 A 45 45 PRO CB C 45 31.900 31.538 0.362 1
1 578 . 10 1 1 A 46 46 LEU H H 46 8.660 7.531 1.129 1
1 579 . 10 1 1 A 46 46 LEU HA H 46 3.970 4.204 -0.234 1
1 589 . 10 1 1 A 46 46 LEU C C 46 176.300 177.411 -1.111 1
1 590 . 10 1 1 A 46 46 LEU CA C 46 55.900 55.245 0.655 1
1 591 . 10 1 1 A 46 46 LEU CB C 46 43.500 41.649 1.851 1
1 595 . 10 1 1 A 46 46 LEU N N 46 117.000 117.168 -0.168 1
1 596 . 10 1 1 A 47 47 SER H H 47 7.160 8.144 -0.984 1
1 597 . 10 1 1 A 47 47 SER HA H 47 4.080 4.123 -0.043 1
1 600 . 10 1 1 A 47 47 SER C C 47 176.600 175.705 0.895 1
1 601 . 10 1 1 A 47 47 SER CA C 47 59.100 61.419 -2.319 1
1 602 . 10 1 1 A 47 47 SER CB C 47 62.800 62.839 -0.039 1
1 603 . 10 1 1 A 47 47 SER N N 47 110.300 115.448 -5.148 1
1 604 . 10 1 1 A 48 48 ASN H H 48 11.000 7.781 3.219 1
1 605 . 10 1 1 A 48 48 ASN HA H 48 4.090 4.891 -0.801 1
1 610 . 10 1 1 A 48 48 ASN C C 48 174.700 174.747 -0.047 1
1 611 . 10 1 1 A 48 48 ASN CA C 48 55.200 52.183 3.017 1
1 612 . 10 1 1 A 48 48 ASN CB C 48 38.300 38.901 -0.601 1
1 614 . 10 1 1 A 48 48 ASN N N 48 123.200 117.439 5.761 1
1 616 . 10 1 1 A 49 49 LYS H H 49 7.830 7.584 0.246 1
1 617 . 10 1 1 A 49 49 LYS HA H 49 4.360 4.305 0.055 1
1 626 . 10 1 1 A 49 49 LYS C C 49 175.100 176.149 -1.049 1
1 627 . 10 1 1 A 49 49 LYS CA C 49 56.100 56.130 -0.030 1
1 628 . 10 1 1 A 49 49 LYS CB C 49 33.200 33.192 0.008 1
1 632 . 10 1 1 A 49 49 LYS N N 49 119.400 122.022 -2.622 1
1 633 . 10 1 1 A 50 50 ILE H H 50 8.570 8.678 -0.108 1
1 634 . 10 1 1 A 50 50 ILE HA H 50 4.160 4.575 -0.415 1
1 644 . 10 1 1 A 50 50 ILE C C 50 175.000 175.408 -0.408 1
1 645 . 10 1 1 A 50 50 ILE CA C 50 61.200 60.235 0.965 1
1 646 . 10 1 1 A 50 50 ILE CB C 50 36.900 38.037 -1.137 1
1 650 . 10 1 1 A 50 50 ILE N N 50 123.000 126.169 -3.169 1
1 651 . 10 1 1 A 51 51 LEU H H 51 9.270 8.740 0.530 1
1 652 . 10 1 1 A 51 51 LEU HA H 51 5.170 5.374 -0.204 1
1 662 . 10 1 1 A 51 51 LEU C C 51 176.300 175.676 0.624 1
1 663 . 10 1 1 A 51 51 LEU CA C 51 52.500 53.560 -1.060 1
1 664 . 10 1 1 A 51 51 LEU CB C 51 42.600 45.212 -2.612 1
1 668 . 10 1 1 A 51 51 LEU N N 51 127.000 128.469 -1.469 1
1 669 . 10 1 1 A 52 52 GLN H H 52 9.110 8.392 0.718 1
1 670 . 10 1 1 A 52 52 GLN HA H 52 4.590 4.652 -0.062 1
1 677 . 10 1 1 A 52 52 GLN C C 52 175.000 175.770 -0.770 1
1 678 . 10 1 1 A 52 52 GLN CA C 52 56.800 55.504 1.296 1
1 679 . 10 1 1 A 52 52 GLN CB C 52 29.200 29.417 -0.217 1
1 682 . 10 1 1 A 52 52 GLN N N 52 122.700 122.793 -0.093 1
1 684 . 10 1 1 A 53 53 THR H H 53 9.110 8.392 0.718 1
1 685 . 10 1 1 A 53 53 THR HA H 53 4.730 5.085 -0.355 1
1 690 . 10 1 1 A 53 53 THR C C 53 172.500 174.202 -1.702 1
1 691 . 10 1 1 A 53 53 THR CA C 53 60.500 60.515 -0.015 1
1 692 . 10 1 1 A 53 53 THR CB C 53 69.800 70.692 -0.892 1
1 694 . 10 1 1 A 53 53 THR N N 53 121.500 117.214 4.286 1
1 695 . 10 1 1 A 54 54 ASN H H 54 8.210 8.621 -0.411 1
1 696 . 10 1 1 A 54 54 ASN HA H 54 5.400 5.337 0.063 1
1 701 . 10 1 1 A 54 54 ASN C C 54 172.900 174.088 -1.188 1
1 702 . 10 1 1 A 54 54 ASN CA C 54 52.400 52.436 -0.036 1
1 703 . 10 1 1 A 54 54 ASN CB C 54 40.900 39.223 1.677 1
1 705 . 10 1 1 A 54 54 ASN N N 54 125.400 120.470 4.930 1
1 707 . 10 1 1 A 55 55 THR H H 55 8.510 8.384 0.126 1
1 708 . 10 1 1 A 55 55 THR HA H 55 5.120 4.718 0.402 1
1 713 . 10 1 1 A 55 55 THR C C 55 172.800 173.739 -0.939 1
1 714 . 10 1 1 A 55 55 THR CA C 55 61.400 62.743 -1.343 1
1 715 . 10 1 1 A 55 55 THR CB C 55 69.700 69.987 -0.287 1
1 717 . 10 1 1 A 55 55 THR N N 55 119.300 119.453 -0.153 1
1 718 . 10 1 1 A 56 56 TYR H H 56 8.460 9.100 -0.640 1
1 719 . 10 1 1 A 56 56 TYR HA H 56 5.260 5.789 -0.529 1
1 726 . 10 1 1 A 56 56 TYR C C 56 173.400 174.294 -0.894 1
1 727 . 10 1 1 A 56 56 TYR CA C 56 57.500 56.095 1.405 1
1 728 . 10 1 1 A 56 56 TYR CB C 56 41.400 40.813 0.587 1
1 733 . 10 1 1 A 56 56 TYR N N 56 125.400 126.179 -0.779 1
1 734 . 10 1 1 A 57 57 TYR H H 57 8.450 9.683 -1.233 1
1 735 . 10 1 1 A 57 57 TYR HA H 57 4.530 5.242 -0.712 1
1 742 . 10 1 1 A 57 57 TYR C C 57 172.400 174.854 -2.454 1
1 743 . 10 1 1 A 57 57 TYR CA C 57 56.600 56.289 0.311 1
1 744 . 10 1 1 A 57 57 TYR CB C 57 41.700 40.848 0.852 1
1 749 . 10 1 1 A 57 57 TYR N N 57 113.900 123.315 -9.415 1
1 750 . 10 1 1 A 58 58 SER H H 58 7.100 8.373 -1.273 1
1 751 . 10 1 1 A 58 58 SER HA H 58 4.750 4.749 0.001 1
1 754 . 10 1 1 A 58 58 SER C C 58 173.800 173.401 0.399 1
1 755 . 10 1 1 A 58 58 SER CA C 58 56.600 57.118 -0.518 1
1 756 . 10 1 1 A 58 58 SER CB C 58 65.600 66.376 -0.776 1
1 757 . 10 1 1 A 58 58 SER N N 58 114.200 119.310 -5.110 1
1 758 . 10 1 1 A 59 59 ASP H H 59 9.140 9.077 0.063 1
1 759 . 10 1 1 A 59 59 ASP HA H 59 4.550 4.069 0.481 1
1 762 . 10 1 1 A 59 59 ASP C C 59 179.000 178.651 0.349 1
1 763 . 10 1 1 A 59 59 ASP CA C 59 58.500 57.621 0.879 1
1 764 . 10 1 1 A 59 59 ASP CB C 59 40.400 40.260 0.140 1
1 765 . 10 1 1 A 59 59 ASP N N 59 121.800 125.458 -3.658 1
1 766 . 10 1 1 A 60 60 THR H H 60 9.060 8.080 0.980 1
1 767 . 10 1 1 A 60 60 THR HA H 60 4.000 3.948 0.052 1
1 772 . 10 1 1 A 60 60 THR C C 60 178.000 177.445 0.555 1
1 773 . 10 1 1 A 60 60 THR CA C 60 67.300 65.818 1.482 1
1 774 . 10 1 1 A 60 60 THR CB C 60 67.300 68.381 -1.081 1
1 776 . 10 1 1 A 60 60 THR N N 60 114.800 112.824 1.976 1
1 777 . 10 1 1 A 61 61 LEU H H 61 7.950 7.815 0.135 1
1 778 . 10 1 1 A 61 61 LEU HA H 61 3.610 3.717 -0.107 1
1 788 . 10 1 1 A 61 61 LEU C C 61 178.900 179.079 -0.179 1
1 789 . 10 1 1 A 61 61 LEU CA C 61 58.600 57.553 1.047 1
1 790 . 10 1 1 A 61 61 LEU CB C 61 39.500 41.491 -1.991 1
1 794 . 10 1 1 A 61 61 LEU N N 61 126.100 122.566 3.534 1
1 795 . 10 1 1 A 62 62 HIS H H 62 8.260 7.730 0.530 1
1 796 . 10 1 1 A 62 62 HIS HA H 62 4.470 4.018 0.452 1
1 800 . 10 1 1 A 62 62 HIS C C 62 178.900 177.918 0.982 1
1 801 . 10 1 1 A 62 62 HIS CA C 62 58.600 59.504 -0.904 1
1 802 . 10 1 1 A 62 62 HIS CB C 62 29.500 29.718 -0.218 1
1 804 . 10 1 1 A 62 62 HIS N N 62 116.000 117.107 -1.107 1
1 805 . 10 1 1 A 63 63 LYS H H 63 7.790 7.909 -0.119 1
1 806 . 10 1 1 A 63 63 LYS HA H 63 3.960 3.907 0.053 1
1 815 . 10 1 1 A 63 63 LYS C C 63 177.900 178.526 -0.626 1
1 816 . 10 1 1 A 63 63 LYS CA C 63 59.200 59.517 -0.317 1
1 817 . 10 1 1 A 63 63 LYS CB C 63 32.400 32.167 0.233 1
1 821 . 10 1 1 A 63 63 LYS N N 63 119.100 119.783 -0.683 1
1 822 . 10 1 1 A 64 64 SER H H 64 7.580 7.444 0.136 1
1 823 . 10 1 1 A 64 64 SER HA H 64 4.260 4.444 -0.184 1
1 826 . 10 1 1 A 64 64 SER C C 64 172.100 173.199 -1.099 1
1 827 . 10 1 1 A 64 64 SER CA C 64 59.300 58.165 1.135 1
1 828 . 10 1 1 A 64 64 SER CB C 64 63.600 63.125 0.475 1
1 829 . 10 1 1 A 64 64 SER N N 64 112.470 111.432 1.038 1
1 830 . 10 1 1 A 65 65 ASN H H 65 7.760 7.814 -0.054 1
1 831 . 10 1 1 A 65 65 ASN HA H 65 3.870 4.122 -0.252 1
1 836 . 10 1 1 A 65 65 ASN C C 65 171.100 173.677 -2.577 1
1 837 . 10 1 1 A 65 65 ASN CA C 65 54.300 54.431 -0.131 1
1 838 . 10 1 1 A 65 65 ASN CB C 65 37.500 36.694 0.806 1
1 840 . 10 1 1 A 65 65 ASN N N 65 117.600 116.739 0.861 1
1 842 . 10 1 1 A 66 66 ILE H H 66 6.820 7.158 -0.338 1
1 843 . 10 1 1 A 66 66 ILE HA H 66 4.590 4.663 -0.073 1
1 853 . 10 1 1 A 66 66 ILE C C 66 174.000 174.130 -0.130 1
1 854 . 10 1 1 A 66 66 ILE CA C 66 58.200 60.119 -1.919 1
1 855 . 10 1 1 A 66 66 ILE CB C 66 40.200 39.938 0.262 1
1 859 . 10 1 1 A 66 66 ILE N N 66 113.900 118.541 -4.641 1
1 860 . 10 1 1 A 67 67 TYR H H 67 8.530 8.595 -0.065 1
1 861 . 10 1 1 A 67 67 TYR HA H 67 5.050 5.023 0.027 1
1 868 . 10 1 1 A 67 67 TYR CA C 67 54.000 55.035 -1.035 1
1 869 . 10 1 1 A 67 67 TYR CB C 67 39.400 39.065 0.335 1
1 874 . 10 1 1 A 67 67 TYR N N 67 120.200 126.395 -6.195 1
1 875 . 10 1 1 A 68 68 PRO HA H 68 5.120 5.119 0.001 1
1 882 . 10 1 1 A 68 68 PRO C C 68 174.600 177.030 -2.430 1
1 883 . 10 1 1 A 68 68 PRO CA C 68 61.500 62.747 -1.247 1
1 884 . 10 1 1 A 68 68 PRO CB C 68 32.200 32.430 -0.230 1
1 887 . 10 1 1 A 69 69 PHE H H 69 8.870 8.576 0.294 1
1 888 . 10 1 1 A 69 69 PHE HA H 69 6.330 5.538 0.792 1
1 896 . 10 1 1 A 69 69 PHE C C 69 173.000 172.672 0.328 1
1 897 . 10 1 1 A 69 69 PHE CA C 69 56.300 56.191 0.109 1
1 898 . 10 1 1 A 69 69 PHE CB C 69 42.900 42.265 0.635 1
1 903 . 10 1 1 A 69 69 PHE N N 69 118.400 118.375 0.025 1
1 904 . 10 1 1 A 70 70 ILE H H 70 9.060 8.648 0.412 1
1 905 . 10 1 1 A 70 70 ILE HA H 70 4.840 4.737 0.103 1
1 915 . 10 1 1 A 70 70 ILE C C 70 175.700 174.716 0.984 1
1 916 . 10 1 1 A 70 70 ILE CA C 70 61.900 60.004 1.896 1
1 917 . 10 1 1 A 70 70 ILE CB C 70 43.000 42.458 0.542 1
1 921 . 10 1 1 A 70 70 ILE N N 70 117.700 121.121 -3.421 1
1 922 . 10 1 1 A 71 71 LEU H H 71 9.320 8.650 0.670 1
1 923 . 10 1 1 A 71 71 LEU HA H 71 5.720 5.076 0.644 1
1 933 . 10 1 1 A 71 71 LEU C C 71 175.600 175.437 0.163 1
1 934 . 10 1 1 A 71 71 LEU CA C 71 52.400 53.660 -1.260 1
1 935 . 10 1 1 A 71 71 LEU CB C 71 43.700 43.317 0.383 1
1 939 . 10 1 1 A 71 71 LEU N N 71 124.800 126.417 -1.617 1
1 940 . 10 1 1 A 72 72 TYR H H 72 9.250 9.349 -0.099 1
1 941 . 10 1 1 A 72 72 TYR HA H 72 5.350 5.288 0.062 1
1 948 . 10 1 1 A 72 72 TYR C C 72 174.100 174.843 -0.743 1
1 949 . 10 1 1 A 72 72 TYR CA C 72 57.300 57.013 0.287 1
1 950 . 10 1 1 A 72 72 TYR CB C 72 44.500 42.011 2.489 1
1 955 . 10 1 1 A 72 72 TYR N N 72 120.700 123.455 -2.755 1
1 956 . 10 1 1 A 73 73 TYR H H 73 9.250 8.945 0.305 1
1 957 . 10 1 1 A 73 73 TYR HA H 73 5.110 5.050 0.060 1
1 964 . 10 1 1 A 73 73 TYR C C 73 174.500 175.467 -0.967 1
1 965 . 10 1 1 A 73 73 TYR CA C 73 56.500 57.745 -1.245 1
1 966 . 10 1 1 A 73 73 TYR CB C 73 40.400 41.269 -0.869 1
1 971 . 10 1 1 A 73 73 TYR N N 73 120.300 124.761 -4.461 1
1 972 . 10 1 1 A 74 74 GLN H H 74 9.310 8.851 0.459 1
1 973 . 10 1 1 A 74 74 GLN HA H 74 3.530 4.020 -0.490 1
1 980 . 10 1 1 A 74 74 GLN C C 74 175.400 175.384 0.016 1
1 981 . 10 1 1 A 74 74 GLN CA C 74 57.200 57.667 -0.467 1
1 982 . 10 1 1 A 74 74 GLN CB C 74 25.500 28.394 -2.894 1
1 985 . 10 1 1 A 74 74 GLN N N 74 126.000 127.062 -1.062 1
1 987 . 10 1 1 A 75 75 LYS H H 75 8.530 8.722 -0.192 1
1 988 . 10 1 1 A 75 75 LYS HA H 75 3.820 4.501 -0.681 1
1 997 . 10 1 1 A 75 75 LYS C C 75 175.500 175.824 -0.324 1
1 998 . 10 1 1 A 75 75 LYS CA C 75 57.300 55.980 1.320 1
1 999 . 10 1 1 A 75 75 LYS CB C 75 30.900 33.838 -2.938 1
1 1003 . 10 1 1 A 75 75 LYS N N 75 113.600 113.694 -0.094 1
1 1004 . 10 1 1 A 76 76 GLN H H 76 8.550 8.281 0.269 1
1 1005 . 10 1 1 A 76 76 GLN HA H 76 4.470 4.934 -0.464 1
1 1012 . 10 1 1 A 76 76 GLN C C 76 175.400 174.845 0.555 1
1 1013 . 10 1 1 A 76 76 GLN CA C 76 54.700 54.197 0.503 1
1 1014 . 10 1 1 A 76 76 GLN CB C 76 29.900 32.101 -2.201 1
1 1017 . 10 1 1 A 76 76 GLN N N 76 122.200 119.594 2.606 1
1 1019 . 10 1 1 A 77 77 LEU H H 77 8.860 8.612 0.248 1
1 1020 . 10 1 1 A 77 77 LEU HA H 77 3.940 4.379 -0.439 1
1 1030 . 10 1 1 A 77 77 LEU C C 77 175.300 176.463 -1.163 1
1 1031 . 10 1 1 A 77 77 LEU CA C 77 56.800 56.215 0.585 1
1 1032 . 10 1 1 A 77 77 LEU CB C 77 41.800 42.439 -0.639 1
1 1036 . 10 1 1 A 77 77 LEU N N 77 128.900 126.949 1.951 1
1 1037 . 10 1 1 A 78 78 ILE H H 78 8.880 8.846 0.034 1
1 1038 . 10 1 1 A 78 78 ILE HA H 78 4.810 4.338 0.472 1
1 1048 . 10 1 1 A 78 78 ILE C C 78 174.600 176.176 -1.576 1
1 1049 . 10 1 1 A 78 78 ILE CA C 78 58.300 62.899 -4.599 1
1 1050 . 10 1 1 A 78 78 ILE CB C 78 38.270 38.521 -0.251 1
1 1054 . 10 1 1 A 78 78 ILE N N 78 126.900 127.676 -0.776 1
1 1055 . 10 1 1 A 79 79 ALA H H 79 7.940 7.499 0.441 1
1 1056 . 10 1 1 A 79 79 ALA HA H 79 5.390 4.918 0.472 1
1 1060 . 10 1 1 A 79 79 ALA C C 79 175.300 175.168 0.132 1
1 1061 . 10 1 1 A 79 79 ALA CA C 79 51.600 51.723 -0.123 1
1 1062 . 10 1 1 A 79 79 ALA CB C 79 24.000 22.568 1.432 1
1 1063 . 10 1 1 A 79 79 ALA N N 79 115.000 118.254 -3.254 1
1 1064 . 10 1 1 A 80 80 ILE H H 80 8.580 8.669 -0.089 1
1 1065 . 10 1 1 A 80 80 ILE HA H 80 4.840 5.112 -0.272 1
1 1075 . 10 1 1 A 80 80 ILE C C 80 175.000 176.002 -1.002 1
1 1076 . 10 1 1 A 80 80 ILE CA C 80 60.300 59.518 0.782 1
1 1077 . 10 1 1 A 80 80 ILE CB C 80 42.800 41.387 1.413 1
1 1081 . 10 1 1 A 80 80 ILE N N 80 117.900 120.395 -2.495 1
1 1082 . 10 1 1 A 81 81 GLY H H 81 8.200 7.377 0.823 1
1 1083 . 10 1 1 A 81 81 GLY HA2 H 81 3.750 3.841 -0.091 1
1 1084 . 10 1 1 A 81 81 GLY HA3 H 81 4.070 4.176 -0.106 1
1 1085 . 10 1 1 A 81 81 GLY C C 81 169.100 171.958 -2.858 1
1 1086 . 10 1 1 A 81 81 GLY CA C 81 46.600 45.547 1.053 1
1 1087 . 10 1 1 A 81 81 GLY N N 81 116.400 112.187 4.213 1
1 1088 . 10 1 1 A 82 82 PHE H H 82 8.210 8.280 -0.070 1
1 1089 . 10 1 1 A 82 82 PHE HA H 82 5.340 5.550 -0.210 1
1 1094 . 10 1 1 A 82 82 PHE C C 82 172.400 172.495 -0.095 1
1 1095 . 10 1 1 A 82 82 PHE CA C 82 56.300 55.843 0.457 1
1 1096 . 10 1 1 A 82 82 PHE CB C 82 40.100 42.621 -2.521 1
1 1099 . 10 1 1 A 82 82 PHE N N 82 114.500 113.207 1.293 1
1 1100 . 10 1 1 A 83 83 ILE H H 83 8.490 9.256 -0.766 1
1 1101 . 10 1 1 A 83 83 ILE HA H 83 4.740 4.769 -0.029 1
1 1111 . 10 1 1 A 83 83 ILE C C 83 175.200 174.940 0.260 1
1 1112 . 10 1 1 A 83 83 ILE CA C 83 60.400 60.249 0.151 1
1 1113 . 10 1 1 A 83 83 ILE CB C 83 39.500 39.245 0.255 1
1 1117 . 10 1 1 A 83 83 ILE N N 83 123.400 120.195 3.205 1
1 1118 . 10 1 1 A 84 84 ASP H H 84 8.550 8.534 0.016 1
1 1119 . 10 1 1 A 84 84 ASP HA H 84 5.170 4.890 0.280 1
1 1122 . 10 1 1 A 84 84 ASP C C 84 178.600 176.641 1.959 1
1 1123 . 10 1 1 A 84 84 ASP CA C 84 52.200 53.816 -1.616 1
1 1124 . 10 1 1 A 84 84 ASP CB C 84 42.400 41.761 0.639 1
1 1125 . 10 1 1 A 84 84 ASP N N 84 126.900 127.785 -0.885 1
1 1126 . 10 1 1 A 85 85 GLU H H 85 9.250 9.028 0.222 1
1 1127 . 10 1 1 A 85 85 GLU HA H 85 4.350 4.007 0.343 1
1 1132 . 10 1 1 A 85 85 GLU C C 85 176.800 176.442 0.358 1
1 1133 . 10 1 1 A 85 85 GLU CA C 85 58.400 58.826 -0.426 1
1 1134 . 10 1 1 A 85 85 GLU CB C 85 28.700 28.508 0.192 1
1 1136 . 10 1 1 A 85 85 GLU N N 85 118.000 117.617 0.383 1
1 1137 . 10 1 1 A 86 86 ASN H H 86 8.280 8.863 -0.583 1
1 1138 . 10 1 1 A 86 86 ASN HA H 86 4.760 5.021 -0.261 1
1 1143 . 10 1 1 A 86 86 ASN C C 86 174.600 174.472 0.128 1
1 1144 . 10 1 1 A 86 86 ASN CA C 86 52.800 52.429 0.371 1
1 1145 . 10 1 1 A 86 86 ASN CB C 86 38.900 39.235 -0.335 1
1 1147 . 10 1 1 A 86 86 ASN N N 86 118.300 121.871 -3.571 1
1 1149 . 10 1 1 A 87 87 HIS H H 87 8.570 7.979 0.591 1
1 1150 . 10 1 1 A 87 87 HIS HA H 87 3.940 4.643 -0.703 1
1 1154 . 10 1 1 A 87 87 HIS C C 87 173.600 173.494 0.106 1
1 1155 . 10 1 1 A 87 87 HIS CA C 87 57.000 54.495 2.505 1
1 1156 . 10 1 1 A 87 87 HIS CB C 87 26.700 31.539 -4.839 1
1 1158 . 10 1 1 A 87 87 HIS N N 87 114.000 117.974 -3.974 1
1 1159 . 10 1 1 A 88 88 ASP H H 88 8.210 8.456 -0.246 1
1 1160 . 10 1 1 A 88 88 ASP HA H 88 4.840 4.047 0.793 1
1 1163 . 10 1 1 A 88 88 ASP C C 88 174.800 174.944 -0.144 1
1 1164 . 10 1 1 A 88 88 ASP CA C 88 53.900 54.742 -0.842 1
1 1165 . 10 1 1 A 88 88 ASP CB C 88 41.500 39.268 2.232 1
1 1166 . 10 1 1 A 88 88 ASP N N 88 120.300 120.894 -0.594 1
1 1167 . 10 1 1 A 89 89 MET H H 89 8.550 8.501 0.049 1
1 1168 . 10 1 1 A 89 89 MET HA H 89 4.450 4.467 -0.017 1
1 1176 . 10 1 1 A 89 89 MET C C 89 173.400 173.819 -0.419 1
1 1177 . 10 1 1 A 89 89 MET CA C 89 55.800 53.182 2.618 1
1 1178 . 10 1 1 A 89 89 MET CB C 89 34.700 32.728 1.972 1
1 1181 . 10 1 1 A 89 89 MET N N 89 120.400 123.407 -3.007 1
1 1182 . 10 1 1 A 90 90 ASP H H 90 8.420 8.095 0.325 1
1 1183 . 10 1 1 A 90 90 ASP HA H 90 4.580 4.661 -0.081 1
1 1186 . 10 1 1 A 90 90 ASP C C 90 174.600 174.306 0.294 1
1 1187 . 10 1 1 A 90 90 ASP CA C 90 52.300 51.946 0.354 1
1 1188 . 10 1 1 A 90 90 ASP CB C 90 41.800 41.315 0.485 1
1 1189 . 10 1 1 A 90 90 ASP N N 90 126.900 126.242 0.658 1
1 1190 . 10 1 1 A 91 91 PHE H H 91 8.350 8.848 -0.498 1
1 1191 . 10 1 1 A 91 91 PHE HA H 91 4.780 5.110 -0.330 1
1 1199 . 10 1 1 A 91 91 PHE C C 91 175.600 175.433 0.167 1
1 1200 . 10 1 1 A 91 91 PHE CA C 91 58.200 56.086 2.114 1
1 1201 . 10 1 1 A 91 91 PHE CB C 91 41.400 40.981 0.419 1
1 1207 . 10 1 1 A 91 91 PHE N N 91 118.600 124.958 -6.358 1
1 1208 . 10 1 1 A 92 92 LEU H H 92 9.060 8.907 0.153 1
1 1209 . 10 1 1 A 92 92 LEU HA H 92 4.330 4.553 -0.223 1
1 1219 . 10 1 1 A 92 92 LEU C C 92 175.700 176.620 -0.920 1
1 1220 . 10 1 1 A 92 92 LEU CA C 92 55.200 55.584 -0.384 1
1 1221 . 10 1 1 A 92 92 LEU CB C 92 43.500 43.110 0.390 1
1 1225 . 10 1 1 A 92 92 LEU N N 92 121.100 124.277 -3.177 1
1 1226 . 10 1 1 A 93 93 TYR H H 93 7.970 7.206 0.764 1
1 1227 . 10 1 1 A 93 93 TYR HA H 93 4.780 4.876 -0.096 1
1 1234 . 10 1 1 A 93 93 TYR C C 93 172.800 173.094 -0.294 1
1 1235 . 10 1 1 A 93 93 TYR CA C 93 57.600 57.557 0.043 1
1 1236 . 10 1 1 A 93 93 TYR CB C 93 42.500 41.286 1.214 1
1 1241 . 10 1 1 A 93 93 TYR N N 93 118.600 118.971 -0.371 1
1 1242 . 10 1 1 A 94 94 LEU H H 94 8.220 8.304 -0.084 1
1 1243 . 10 1 1 A 94 94 LEU HA H 94 5.060 5.014 0.046 1
1 1253 . 10 1 1 A 94 94 LEU C C 94 171.900 174.095 -2.195 1
1 1254 . 10 1 1 A 94 94 LEU CA C 94 55.100 52.973 2.127 1
1 1255 . 10 1 1 A 94 94 LEU CB C 94 44.800 45.057 -0.257 1
1 1259 . 10 1 1 A 94 94 LEU N N 94 128.600 130.497 -1.897 1
1 1260 . 10 1 1 A 95 95 HIS H H 95 9.720 8.816 0.904 1
1 1261 . 10 1 1 A 95 95 HIS HA H 95 4.570 5.035 -0.465 1
1 1266 . 10 1 1 A 95 95 HIS C C 95 173.100 172.876 0.224 1
1 1267 . 10 1 1 A 95 95 HIS CA C 95 55.500 54.415 1.085 1
1 1268 . 10 1 1 A 95 95 HIS CB C 95 35.900 32.757 3.143 1
1 1271 . 10 1 1 A 95 95 HIS N N 95 133.000 125.892 7.108 1
1 1272 . 10 1 1 A 96 96 ASN H H 96 7.670 8.646 -0.976 1
1 1273 . 10 1 1 A 96 96 ASN HA H 96 4.930 4.912 0.018 1
1 1278 . 10 1 1 A 96 96 ASN C C 96 176.100 175.326 0.774 1
1 1279 . 10 1 1 A 96 96 ASN CA C 96 51.000 51.145 -0.145 1
1 1280 . 10 1 1 A 96 96 ASN CB C 96 38.500 38.915 -0.415 1
1 1281 . 10 1 1 A 96 96 ASN N N 96 118.600 126.483 -7.883 1
1 1283 . 10 1 1 A 97 97 THR H H 97 10.580 8.789 1.791 1
1 1284 . 10 1 1 A 97 97 THR HA H 97 4.090 4.245 -0.155 1
1 1289 . 10 1 1 A 97 97 THR C C 97 174.600 173.779 0.821 1
1 1290 . 10 1 1 A 97 97 THR CA C 97 67.000 62.872 4.128 1
1 1291 . 10 1 1 A 97 97 THR CB C 97 68.300 66.533 1.767 1
1 1293 . 10 1 1 A 97 97 THR N N 97 116.300 119.653 -3.353 1
1 1294 . 10 1 1 A 98 98 VAL H H 98 8.440 9.214 -0.774 1
1 1295 . 10 1 1 A 98 98 VAL HA H 98 4.180 3.714 0.466 1
1 1303 . 10 1 1 A 98 98 VAL C C 98 174.800 174.185 0.615 1
1 1304 . 10 1 1 A 98 98 VAL CA C 98 64.400 63.079 1.321 1
1 1305 . 10 1 1 A 98 98 VAL CB C 98 33.100 29.419 3.681 1
1 1308 . 10 1 1 A 98 98 VAL N N 98 123.900 114.919 8.981 1
1 1309 . 10 1 1 A 99 99 MET H H 99 8.590 7.210 1.380 1
1 1310 . 10 1 1 A 99 99 MET HA H 99 4.720 4.631 0.089 1
1 1318 . 10 1 1 A 99 99 MET CA C 99 52.400 53.566 -1.166 1
1 1319 . 10 1 1 A 99 99 MET CB C 99 34.100 32.652 1.448 1
1 1322 . 10 1 1 A 99 99 MET N N 99 118.700 119.166 -0.466 1
1 1323 . 10 1 1 A 100 100 PRO HA H 100 4.210 4.352 -0.142 1
1 1330 . 10 1 1 A 100 100 PRO C C 100 175.900 176.927 -1.027 1
1 1331 . 10 1 1 A 100 100 PRO CA C 100 62.100 62.981 -0.881 1
1 1332 . 10 1 1 A 100 100 PRO CB C 100 31.000 31.893 -0.893 1
1 1335 . 10 1 1 A 101 101 LEU H H 101 9.010 8.690 0.320 1
1 1336 . 10 1 1 A 101 101 LEU HA H 101 4.310 4.401 -0.091 1
1 1346 . 10 1 1 A 101 101 LEU C C 101 176.900 177.058 -0.158 1
1 1347 . 10 1 1 A 101 101 LEU CA C 101 55.000 55.635 -0.635 1
1 1348 . 10 1 1 A 101 101 LEU CB C 101 42.800 43.670 -0.870 1
1 1352 . 10 1 1 A 101 101 LEU N N 101 124.000 120.207 3.793 1
1 1353 . 10 1 1 A 102 102 LEU H H 102 7.620 7.561 0.059 1
1 1354 . 10 1 1 A 102 102 LEU HA H 102 4.360 4.757 -0.397 1
1 1364 . 10 1 1 A 102 102 LEU C C 102 174.800 174.082 0.718 1
1 1365 . 10 1 1 A 102 102 LEU CA C 102 54.900 54.397 0.503 1
1 1366 . 10 1 1 A 102 102 LEU CB C 102 45.300 44.982 0.318 1
1 1370 . 10 1 1 A 102 102 LEU N N 102 119.000 119.164 -0.164 1
1 1371 . 10 1 1 A 103 103 ASP H H 103 9.120 8.723 0.397 1
1 1372 . 10 1 1 A 103 103 ASP HA H 103 5.100 5.076 0.024 1
1 1375 . 10 1 1 A 103 103 ASP C C 103 174.500 174.436 0.064 1
1 1376 . 10 1 1 A 103 103 ASP CA C 103 54.900 54.234 0.666 1
1 1377 . 10 1 1 A 103 103 ASP CB C 103 41.000 42.647 -1.647 1
1 1378 . 10 1 1 A 103 103 ASP N N 103 120.700 125.527 -4.827 1
1 1379 . 10 1 1 A 104 104 GLN H H 104 8.990 8.984 0.006 1
1 1380 . 10 1 1 A 104 104 GLN HA H 104 4.710 4.862 -0.152 1
1 1387 . 10 1 1 A 104 104 GLN C C 104 176.100 176.049 0.051 1
1 1388 . 10 1 1 A 104 104 GLN CA C 104 54.100 54.975 -0.875 1
1 1389 . 10 1 1 A 104 104 GLN CB C 104 28.500 30.700 -2.200 1
1 1392 . 10 1 1 A 104 104 GLN N N 104 125.400 125.462 -0.062 1
1 1394 . 10 1 1 A 105 105 ARG H H 105 8.380 8.887 -0.507 1
1 1395 . 10 1 1 A 105 105 ARG HA H 105 3.510 3.887 -0.377 1
1 1402 . 10 1 1 A 105 105 ARG C C 105 177.500 177.812 -0.312 1
1 1403 . 10 1 1 A 105 105 ARG CA C 105 60.200 59.786 0.414 1
1 1404 . 10 1 1 A 105 105 ARG CB C 105 29.400 29.563 -0.163 1
1 1407 . 10 1 1 A 105 105 ARG N N 105 117.700 126.153 -8.453 1
1 1408 . 10 1 1 A 106 106 TYR H H 106 7.800 8.082 -0.282 1
1 1409 . 10 1 1 A 106 106 TYR HA H 106 4.360 4.427 -0.067 1
1 1416 . 10 1 1 A 106 106 TYR C C 106 176.800 178.082 -1.282 1
1 1417 . 10 1 1 A 106 106 TYR CA C 106 58.600 60.274 -1.674 1
1 1418 . 10 1 1 A 106 106 TYR CB C 106 36.000 38.205 -2.205 1
1 1423 . 10 1 1 A 106 106 TYR N N 106 118.100 119.439 -1.339 1
1 1424 . 10 1 1 A 107 107 LEU H H 107 7.170 8.144 -0.974 1
1 1425 . 10 1 1 A 107 107 LEU HA H 107 3.970 4.110 -0.140 1
1 1435 . 10 1 1 A 107 107 LEU C C 107 178.300 178.299 0.001 1
1 1436 . 10 1 1 A 107 107 LEU CA C 107 56.600 58.071 -1.471 1
1 1437 . 10 1 1 A 107 107 LEU CB C 107 41.800 41.641 0.159 1
1 1441 . 10 1 1 A 107 107 LEU N N 107 121.900 121.271 0.629 1
1 1442 . 10 1 1 A 108 108 LEU H H 108 7.680 7.952 -0.272 1
1 1443 . 10 1 1 A 108 108 LEU HA H 108 4.070 3.358 0.712 1
1 1453 . 10 1 1 A 108 108 LEU C C 108 177.500 177.868 -0.368 1
1 1454 . 10 1 1 A 108 108 LEU CA C 108 55.400 57.600 -2.200 1
1 1455 . 10 1 1 A 108 108 LEU CB C 108 41.500 41.641 -0.141 1
1 1459 . 10 1 1 A 108 108 LEU N N 108 115.400 118.505 -3.105 1
1 1460 . 10 1 1 A 109 109 THR H H 109 7.510 7.872 -0.362 1
1 1461 . 10 1 1 A 109 109 THR HA H 109 4.310 4.495 -0.185 1
1 1466 . 10 1 1 A 109 109 THR C C 109 175.300 174.769 0.531 1
1 1467 . 10 1 1 A 109 109 THR CA C 109 61.600 61.941 -0.341 1
1 1468 . 10 1 1 A 109 109 THR CB C 109 69.500 69.707 -0.207 1
1 1470 . 10 1 1 A 109 109 THR N N 109 108.800 106.255 2.545 1
1 1471 . 10 1 1 A 110 110 GLY H H 110 8.010 7.911 0.099 1
1 1472 . 10 1 1 A 110 110 GLY HA2 H 110 3.950 4.079 -0.129 1
1 1473 . 10 1 1 A 110 110 GLY HA3 H 110 4.030 4.168 -0.138 1
1 1474 . 10 1 1 A 110 110 GLY C C 110 174.500 175.005 -0.505 1
1 1475 . 10 1 1 A 110 110 GLY CA C 110 45.400 46.841 -1.441 1
1 1476 . 10 1 1 A 110 110 GLY N N 110 110.100 110.619 -0.519 1
1 1477 . 10 1 1 A 111 111 GLY H H 111 8.310 8.337 -0.027 1
1 1478 . 10 1 1 A 111 111 GLY HA2 H 111 3.930 4.026 -0.096 1
1 1479 . 10 1 1 A 111 111 GLY HA3 H 111 3.930 4.067 -0.137 1
1 1480 . 10 1 1 A 111 111 GLY C C 111 173.700 173.455 0.245 1
1 1481 . 10 1 1 A 111 111 GLY CA C 111 45.400 45.359 0.041 1
1 1482 . 10 1 1 A 111 111 GLY N N 111 108.300 109.879 -1.579 1
1 1483 . 10 1 1 A 112 112 GLN H H 112 8.280 8.255 0.025 1
1 1484 . 10 1 1 A 112 112 GLN HA H 112 4.270 4.406 -0.136 1
1 1491 . 10 1 1 A 112 112 GLN C C 112 175.700 175.200 0.500 1
1 1492 . 10 1 1 A 112 112 GLN CA C 112 55.600 55.599 0.001 1
1 1493 . 10 1 1 A 112 112 GLN CB C 112 29.200 29.380 -0.180 1
1 1496 . 10 1 1 A 112 112 GLN N N 112 119.200 118.870 0.330 1
1 1498 . 10 1 1 A 113 113 LEU H H 113 8.260 8.119 0.141 1
1 1499 . 10 1 1 A 113 113 LEU HA H 113 4.180 4.290 -0.110 1
1 1509 . 10 1 1 A 113 113 LEU C C 113 177.000 176.392 0.608 1
1 1510 . 10 1 1 A 113 113 LEU CA C 113 55.100 55.145 -0.045 1
1 1511 . 10 1 1 A 113 113 LEU CB C 113 42.100 43.011 -0.911 1
1 1515 . 10 1 1 A 113 113 LEU N N 113 122.800 124.917 -2.117 1
1 1516 . 10 1 1 A 114 114 GLU H H 114 8.290 8.026 0.264 1
1 1517 . 10 1 1 A 114 114 GLU HA H 114 4.140 4.130 0.010 1
1 1522 . 10 1 1 A 114 114 GLU CA C 114 56.300 56.678 -0.378 1
1 1523 . 10 1 1 A 114 114 GLU CB C 114 30.200 30.318 -0.118 1
1 1 . 11 1 1 A 2 2 THR HA H 2 4.300 4.702 -0.402 1
1 6 . 11 1 1 A 2 2 THR C C 2 174.800 173.695 1.105 1
1 7 . 11 1 1 A 2 2 THR CA C 2 61.100 59.493 1.607 1
1 8 . 11 1 1 A 2 2 THR CB C 2 70.400 70.895 -0.495 1
1 10 . 11 1 1 A 3 3 LEU H H 3 8.760 8.884 -0.124 1
1 11 . 11 1 1 A 3 3 LEU HA H 3 4.110 3.944 0.166 1
1 21 . 11 1 1 A 3 3 LEU C C 3 178.300 178.676 -0.376 1
1 22 . 11 1 1 A 3 3 LEU CA C 3 57.800 58.024 -0.224 1
1 23 . 11 1 1 A 3 3 LEU CB C 3 41.600 41.198 0.402 1
1 27 . 11 1 1 A 3 3 LEU N N 3 123.600 125.316 -1.716 1
1 28 . 11 1 1 A 4 4 GLU H H 4 8.740 8.170 0.570 1
1 29 . 11 1 1 A 4 4 GLU HA H 4 3.670 4.109 -0.439 1
1 34 . 11 1 1 A 4 4 GLU C C 4 177.900 179.404 -1.504 1
1 35 . 11 1 1 A 4 4 GLU CA C 4 60.000 59.320 0.680 1
1 36 . 11 1 1 A 4 4 GLU CB C 4 29.200 29.254 -0.054 1
1 38 . 11 1 1 A 4 4 GLU N N 4 116.500 118.695 -2.195 1
1 39 . 11 1 1 A 5 5 LEU H H 5 7.340 8.033 -0.693 1
1 40 . 11 1 1 A 5 5 LEU HA H 5 3.900 3.958 -0.058 1
1 50 . 11 1 1 A 5 5 LEU C C 5 178.900 178.616 0.284 1
1 51 . 11 1 1 A 5 5 LEU CA C 5 56.900 57.629 -0.729 1
1 52 . 11 1 1 A 5 5 LEU CB C 5 41.200 41.486 -0.286 1
1 56 . 11 1 1 A 5 5 LEU N N 5 120.500 121.023 -0.523 1
1 57 . 11 1 1 A 6 6 GLN H H 6 8.350 7.799 0.551 1
1 58 . 11 1 1 A 6 6 GLN HA H 6 3.970 4.001 -0.031 1
1 63 . 11 1 1 A 6 6 GLN C C 6 179.700 178.691 1.009 1
1 64 . 11 1 1 A 6 6 GLN CA C 6 59.100 58.518 0.582 1
1 65 . 11 1 1 A 6 6 GLN CB C 6 29.100 28.181 0.919 1
1 67 . 11 1 1 A 6 6 GLN N N 6 120.800 118.044 2.756 1
1 68 . 11 1 1 A 7 7 LEU H H 7 8.620 8.357 0.263 1
1 69 . 11 1 1 A 7 7 LEU HA H 7 4.010 4.169 -0.159 1
1 79 . 11 1 1 A 7 7 LEU C C 7 176.900 178.680 -1.780 1
1 80 . 11 1 1 A 7 7 LEU CA C 7 57.800 57.946 -0.146 1
1 81 . 11 1 1 A 7 7 LEU CB C 7 41.700 41.822 -0.122 1
1 85 . 11 1 1 A 7 7 LEU N N 7 121.000 121.278 -0.278 1
1 86 . 11 1 1 A 8 8 LYS H H 8 7.750 7.801 -0.051 1
1 87 . 11 1 1 A 8 8 LYS HA H 8 3.570 4.103 -0.533 1
1 96 . 11 1 1 A 8 8 LYS C C 8 179.400 179.843 -0.443 1
1 97 . 11 1 1 A 8 8 LYS CA C 8 59.000 58.923 0.077 1
1 98 . 11 1 1 A 8 8 LYS CB C 8 32.400 32.193 0.207 1
1 102 . 11 1 1 A 8 8 LYS N N 8 119.700 118.903 0.797 1
1 103 . 11 1 1 A 9 9 HIS H H 9 8.520 8.179 0.341 1
1 104 . 11 1 1 A 9 9 HIS HA H 9 4.050 4.471 -0.421 1
1 107 . 11 1 1 A 9 9 HIS C C 9 176.500 177.702 -1.202 1
1 108 . 11 1 1 A 9 9 HIS CA C 9 59.400 59.537 -0.137 1
1 109 . 11 1 1 A 9 9 HIS CB C 9 29.900 29.985 -0.085 1
1 110 . 11 1 1 A 9 9 HIS N N 9 120.500 119.208 1.292 1
1 111 . 11 1 1 A 10 10 TYR H H 10 7.990 8.641 -0.651 1
1 112 . 11 1 1 A 10 10 TYR HA H 10 4.160 4.120 0.040 1
1 119 . 11 1 1 A 10 10 TYR C C 10 177.400 177.333 0.067 1
1 120 . 11 1 1 A 10 10 TYR CA C 10 61.800 61.518 0.282 1
1 121 . 11 1 1 A 10 10 TYR CB C 10 39.500 38.796 0.704 1
1 126 . 11 1 1 A 10 10 TYR N N 10 119.200 119.866 -0.666 1
1 127 . 11 1 1 A 11 11 ILE H H 11 8.710 8.481 0.229 1
1 128 . 11 1 1 A 11 11 ILE HA H 11 3.540 3.732 -0.192 1
1 138 . 11 1 1 A 11 11 ILE CA C 11 61.600 64.606 -3.006 1
1 139 . 11 1 1 A 11 11 ILE CB C 11 36.200 37.883 -1.683 1
1 143 . 11 1 1 A 11 11 ILE N N 11 118.900 120.866 -1.966 1
1 144 . 11 1 1 A 12 12 THR HA H 12 3.840 4.072 -0.232 1
1 149 . 11 1 1 A 12 12 THR C C 12 176.900 177.306 -0.406 1
1 150 . 11 1 1 A 12 12 THR CA C 12 66.400 66.632 -0.232 1
1 151 . 11 1 1 A 12 12 THR CB C 12 68.300 68.034 0.266 1
1 153 . 11 1 1 A 13 13 ASN H H 13 7.440 8.266 -0.826 1
1 154 . 11 1 1 A 13 13 ASN HA H 13 4.420 4.409 0.011 1
1 159 . 11 1 1 A 13 13 ASN C C 13 176.700 178.118 -1.418 1
1 160 . 11 1 1 A 13 13 ASN CA C 13 55.900 55.958 -0.058 1
1 161 . 11 1 1 A 13 13 ASN CB C 13 38.600 38.353 0.247 1
1 163 . 11 1 1 A 13 13 ASN N N 13 118.300 121.132 -2.832 1
1 165 . 11 1 1 A 14 14 LEU H H 14 7.890 8.087 -0.197 1
1 166 . 11 1 1 A 14 14 LEU HA H 14 3.660 3.778 -0.118 1
1 176 . 11 1 1 A 14 14 LEU C C 14 177.900 178.027 -0.127 1
1 177 . 11 1 1 A 14 14 LEU CA C 14 57.600 57.626 -0.026 1
1 178 . 11 1 1 A 14 14 LEU CB C 14 42.600 41.191 1.409 1
1 182 . 11 1 1 A 14 14 LEU N N 14 122.100 119.934 2.166 1
1 183 . 11 1 1 A 15 15 PHE H H 15 7.670 7.812 -0.142 1
1 184 . 11 1 1 A 15 15 PHE HA H 15 4.490 4.546 -0.056 1
1 191 . 11 1 1 A 15 15 PHE C C 15 173.800 174.461 -0.661 1
1 192 . 11 1 1 A 15 15 PHE CA C 15 57.900 57.230 0.670 1
1 193 . 11 1 1 A 15 15 PHE CB C 15 38.900 39.218 -0.318 1
1 198 . 11 1 1 A 15 15 PHE N N 15 111.800 115.697 -3.897 1
1 199 . 11 1 1 A 16 16 ASN H H 16 7.450 7.914 -0.464 1
1 200 . 11 1 1 A 16 16 ASN HA H 16 4.420 4.443 -0.023 1
1 205 . 11 1 1 A 16 16 ASN C C 16 174.200 174.280 -0.080 1
1 206 . 11 1 1 A 16 16 ASN CA C 16 54.100 54.248 -0.148 1
1 207 . 11 1 1 A 16 16 ASN CB C 16 36.500 36.776 -0.276 1
1 209 . 11 1 1 A 16 16 ASN N N 16 118.500 114.481 4.019 1
1 211 . 11 1 1 A 17 17 LEU H H 17 8.410 7.862 0.548 1
1 212 . 11 1 1 A 17 17 LEU HA H 17 4.630 4.629 0.001 1
1 222 . 11 1 1 A 17 17 LEU CA C 17 52.300 51.354 0.946 1
1 223 . 11 1 1 A 17 17 LEU CB C 17 41.000 42.137 -1.137 1
1 227 . 11 1 1 A 17 17 LEU N N 17 118.700 120.215 -1.515 1
1 228 . 11 1 1 A 18 18 PRO HA H 18 4.380 4.492 -0.112 1
1 235 . 11 1 1 A 18 18 PRO C C 18 178.600 177.523 1.077 1
1 236 . 11 1 1 A 18 18 PRO CA C 18 63.100 63.458 -0.358 1
1 237 . 11 1 1 A 18 18 PRO CB C 18 31.800 32.446 -0.646 1
1 240 . 11 1 1 A 19 19 ARG H H 19 8.650 8.902 -0.252 1
1 241 . 11 1 1 A 19 19 ARG HA H 19 3.820 4.186 -0.366 1
1 248 . 11 1 1 A 19 19 ARG C C 19 176.500 177.754 -1.254 1
1 249 . 11 1 1 A 19 19 ARG CA C 19 58.100 58.450 -0.350 1
1 250 . 11 1 1 A 19 19 ARG CB C 19 30.300 30.072 0.228 1
1 253 . 11 1 1 A 19 19 ARG N N 19 124.600 124.585 0.015 1
1 254 . 11 1 1 A 20 20 ASP H H 20 8.390 8.121 0.269 1
1 255 . 11 1 1 A 20 20 ASP HA H 20 4.550 4.589 -0.039 1
1 258 . 11 1 1 A 20 20 ASP C C 20 175.700 175.738 -0.038 1
1 259 . 11 1 1 A 20 20 ASP CA C 20 53.000 55.717 -2.717 1
1 260 . 11 1 1 A 20 20 ASP CB C 20 40.400 40.393 0.007 1
1 261 . 11 1 1 A 20 20 ASP N N 20 114.300 117.502 -3.202 1
1 262 . 11 1 1 A 21 21 GLU H H 21 6.780 7.729 -0.949 1
1 263 . 11 1 1 A 21 21 GLU HA H 21 4.150 4.838 -0.688 1
1 268 . 11 1 1 A 21 21 GLU C C 21 175.400 175.336 0.064 1
1 269 . 11 1 1 A 21 21 GLU CA C 21 56.200 55.438 0.762 1
1 270 . 11 1 1 A 21 21 GLU CB C 21 31.600 31.575 0.025 1
1 272 . 11 1 1 A 21 21 GLU N N 21 121.600 120.821 0.779 1
1 273 . 11 1 1 A 22 22 LYS H H 22 8.860 8.792 0.068 1
1 274 . 11 1 1 A 22 22 LYS HA H 22 4.160 4.362 -0.202 1
1 283 . 11 1 1 A 22 22 LYS C C 22 176.100 176.626 -0.526 1
1 284 . 11 1 1 A 22 22 LYS CA C 22 57.200 55.985 1.215 1
1 285 . 11 1 1 A 22 22 LYS CB C 22 33.000 33.307 -0.307 1
1 289 . 11 1 1 A 22 22 LYS N N 22 128.900 126.822 2.078 1
1 290 . 11 1 1 A 23 23 TRP H H 23 8.750 8.807 -0.057 1
1 291 . 11 1 1 A 23 23 TRP HA H 23 5.400 5.109 0.291 1
1 300 . 11 1 1 A 23 23 TRP C C 23 176.500 175.003 1.497 1
1 301 . 11 1 1 A 23 23 TRP CA C 23 54.600 56.744 -2.144 1
1 302 . 11 1 1 A 23 23 TRP CB C 23 31.100 32.426 -1.326 1
1 308 . 11 1 1 A 23 23 TRP N N 23 126.100 123.929 2.171 1
1 310 . 11 1 1 A 24 24 GLU H H 24 9.040 8.821 0.219 1
1 311 . 11 1 1 A 24 24 GLU HA H 24 4.590 5.056 -0.466 1
1 316 . 11 1 1 A 24 24 GLU C C 24 174.100 175.020 -0.920 1
1 317 . 11 1 1 A 24 24 GLU CA C 24 54.200 55.013 -0.813 1
1 318 . 11 1 1 A 24 24 GLU CB C 24 31.600 32.370 -0.770 1
1 320 . 11 1 1 A 24 24 GLU N N 24 122.700 121.715 0.985 1
1 321 . 11 1 1 A 25 25 CYS H H 25 8.740 8.824 -0.084 1
1 322 . 11 1 1 A 25 25 CYS HA H 25 4.870 4.812 0.058 1
1 325 . 11 1 1 A 25 25 CYS C C 25 174.400 174.067 0.333 1
1 326 . 11 1 1 A 25 25 CYS CA C 25 57.200 57.912 -0.712 1
1 327 . 11 1 1 A 25 25 CYS CB C 25 30.200 28.161 2.039 1
1 328 . 11 1 1 A 25 25 CYS N N 25 119.900 126.503 -6.603 1
1 329 . 11 1 1 A 26 26 GLU H H 26 9.220 9.147 0.073 1
1 330 . 11 1 1 A 26 26 GLU HA H 26 4.740 4.858 -0.118 1
1 335 . 11 1 1 A 26 26 GLU C C 26 175.000 175.178 -0.178 1
1 336 . 11 1 1 A 26 26 GLU CA C 26 55.100 55.010 0.090 1
1 337 . 11 1 1 A 26 26 GLU CB C 26 31.700 31.571 0.129 1
1 339 . 11 1 1 A 26 26 GLU N N 26 131.200 124.639 6.561 1
1 340 . 11 1 1 A 27 27 SER H H 27 8.900 8.789 0.111 1
1 341 . 11 1 1 A 27 27 SER HA H 27 5.750 5.062 0.688 1
1 344 . 11 1 1 A 27 27 SER C C 27 173.600 173.434 0.166 1
1 345 . 11 1 1 A 27 27 SER CA C 27 56.700 57.027 -0.327 1
1 346 . 11 1 1 A 27 27 SER CB C 27 64.200 64.444 -0.244 1
1 347 . 11 1 1 A 27 27 SER N N 27 125.100 119.127 5.973 1
1 348 . 11 1 1 A 28 28 ILE H H 28 8.540 8.448 0.092 1
1 349 . 11 1 1 A 28 28 ILE HA H 28 4.680 4.789 -0.109 1
1 359 . 11 1 1 A 28 28 ILE C C 28 174.100 172.911 1.189 1
1 360 . 11 1 1 A 28 28 ILE CA C 28 59.800 59.072 0.728 1
1 361 . 11 1 1 A 28 28 ILE CB C 28 42.700 42.168 0.532 1
1 365 . 11 1 1 A 28 28 ILE N N 28 123.200 125.345 -2.145 1
1 366 . 11 1 1 A 29 29 GLU H H 29 8.430 9.031 -0.601 1
1 367 . 11 1 1 A 29 29 GLU HA H 29 5.430 5.226 0.204 1
1 372 . 11 1 1 A 29 29 GLU C C 29 176.000 175.264 0.736 1
1 373 . 11 1 1 A 29 29 GLU CA C 29 55.600 54.728 0.872 1
1 374 . 11 1 1 A 29 29 GLU CB C 29 31.200 32.439 -1.239 1
1 376 . 11 1 1 A 29 29 GLU N N 29 123.900 129.582 -5.682 1
1 377 . 11 1 1 A 30 30 GLU H H 30 8.850 8.424 0.426 1
1 378 . 11 1 1 A 30 30 GLU HA H 30 4.730 4.950 -0.220 1
1 383 . 11 1 1 A 30 30 GLU C C 30 174.300 176.157 -1.857 1
1 384 . 11 1 1 A 30 30 GLU CA C 30 54.700 54.373 0.327 1
1 385 . 11 1 1 A 30 30 GLU CB C 30 34.400 34.005 0.395 1
1 387 . 11 1 1 A 30 30 GLU N N 30 121.900 125.379 -3.479 1
1 388 . 11 1 1 A 31 31 VAL H H 31 9.260 8.813 0.447 1
1 389 . 11 1 1 A 31 31 VAL HA H 31 4.250 4.091 0.159 1
1 397 . 11 1 1 A 31 31 VAL C C 31 177.700 176.998 0.702 1
1 398 . 11 1 1 A 31 31 VAL CA C 31 62.500 63.464 -0.964 1
1 399 . 11 1 1 A 31 31 VAL CB C 31 31.800 31.925 -0.125 1
1 402 . 11 1 1 A 31 31 VAL N N 31 124.500 121.352 3.148 1
1 403 . 11 1 1 A 32 32 ALA H H 32 9.250 8.770 0.480 1
1 404 . 11 1 1 A 32 32 ALA HA H 32 3.710 4.021 -0.311 1
1 408 . 11 1 1 A 32 32 ALA C C 32 178.600 178.979 -0.379 1
1 409 . 11 1 1 A 32 32 ALA CA C 32 55.800 55.180 0.620 1
1 410 . 11 1 1 A 32 32 ALA CB C 32 19.400 18.309 1.091 1
1 411 . 11 1 1 A 32 32 ALA N N 32 129.900 128.332 1.568 1
1 412 . 11 1 1 A 33 33 ASP H H 33 9.510 8.230 1.280 1
1 413 . 11 1 1 A 33 33 ASP HA H 33 4.180 4.429 -0.249 1
1 416 . 11 1 1 A 33 33 ASP C C 33 176.300 176.723 -0.423 1
1 417 . 11 1 1 A 33 33 ASP CA C 33 54.600 56.104 -1.504 1
1 418 . 11 1 1 A 33 33 ASP CB C 33 39.200 40.741 -1.541 1
1 419 . 11 1 1 A 33 33 ASP N N 33 110.700 118.212 -7.512 1
1 420 . 11 1 1 A 34 34 ASP H H 34 7.830 8.053 -0.223 1
1 421 . 11 1 1 A 34 34 ASP HA H 34 4.650 4.583 0.067 1
1 424 . 11 1 1 A 34 34 ASP C C 34 176.300 177.446 -1.146 1
1 425 . 11 1 1 A 34 34 ASP CA C 34 55.100 55.524 -0.424 1
1 426 . 11 1 1 A 34 34 ASP CB C 34 41.000 41.216 -0.216 1
1 427 . 11 1 1 A 34 34 ASP N N 34 114.700 117.341 -2.641 1
1 428 . 11 1 1 A 35 35 ILE H H 35 7.290 7.423 -0.133 1
1 429 . 11 1 1 A 35 35 ILE HA H 35 4.490 4.369 0.121 1
1 439 . 11 1 1 A 35 35 ILE C C 35 174.100 175.051 -0.951 1
1 440 . 11 1 1 A 35 35 ILE CA C 35 60.700 60.906 -0.206 1
1 441 . 11 1 1 A 35 35 ILE CB C 35 40.600 40.221 0.379 1
1 445 . 11 1 1 A 35 35 ILE N N 35 113.400 110.730 2.670 1
1 446 . 11 1 1 A 36 36 LEU H H 36 7.730 8.549 -0.819 1
1 447 . 11 1 1 A 36 36 LEU HA H 36 4.800 4.625 0.175 1
1 457 . 11 1 1 A 36 36 LEU CA C 36 52.200 50.870 1.330 1
1 458 . 11 1 1 A 36 36 LEU CB C 36 42.700 42.969 -0.269 1
1 462 . 11 1 1 A 36 36 LEU N N 36 120.400 124.462 -4.062 1
1 463 . 11 1 1 A 37 37 PRO HA H 37 4.440 4.529 -0.089 1
1 470 . 11 1 1 A 37 37 PRO C C 37 177.100 177.339 -0.239 1
1 471 . 11 1 1 A 37 37 PRO CA C 37 63.100 62.946 0.154 1
1 472 . 11 1 1 A 37 37 PRO CB C 37 32.700 32.765 -0.065 1
1 475 . 11 1 1 A 38 38 ASP H H 38 8.690 8.647 0.043 1
1 476 . 11 1 1 A 38 38 ASP HA H 38 4.230 4.290 -0.060 1
1 479 . 11 1 1 A 38 38 ASP C C 38 177.800 178.518 -0.718 1
1 480 . 11 1 1 A 38 38 ASP CA C 38 57.900 56.908 0.992 1
1 481 . 11 1 1 A 38 38 ASP CB C 38 42.200 40.398 1.802 1
1 482 . 11 1 1 A 38 38 ASP N N 38 123.800 122.074 1.726 1
1 483 . 11 1 1 A 39 39 GLN H H 39 9.080 8.144 0.936 1
1 484 . 11 1 1 A 39 39 GLN HA H 39 3.990 3.961 0.029 1
1 491 . 11 1 1 A 39 39 GLN C C 39 176.400 177.020 -0.620 1
1 492 . 11 1 1 A 39 39 GLN CA C 39 58.000 58.257 -0.257 1
1 493 . 11 1 1 A 39 39 GLN CB C 39 27.300 28.527 -1.227 1
1 496 . 11 1 1 A 39 39 GLN N N 39 115.100 119.923 -4.823 1
1 498 . 11 1 1 A 40 40 TYR H H 40 7.510 7.901 -0.391 1
1 499 . 11 1 1 A 40 40 TYR HA H 40 4.730 4.465 0.265 1
1 506 . 11 1 1 A 40 40 TYR C C 40 174.200 176.792 -2.592 1
1 507 . 11 1 1 A 40 40 TYR CA C 40 57.000 57.685 -0.685 1
1 508 . 11 1 1 A 40 40 TYR CB C 40 39.400 38.775 0.625 1
1 513 . 11 1 1 A 40 40 TYR N N 40 116.800 116.381 0.419 1
1 514 . 11 1 1 A 41 41 VAL H H 41 7.370 7.231 0.139 1
1 515 . 11 1 1 A 41 41 VAL HA H 41 4.000 4.180 -0.180 1
1 523 . 11 1 1 A 41 41 VAL C C 41 175.400 176.800 -1.400 1
1 524 . 11 1 1 A 41 41 VAL CA C 41 62.800 62.605 0.195 1
1 525 . 11 1 1 A 41 41 VAL CB C 41 34.300 32.373 1.927 1
1 528 . 11 1 1 A 41 41 VAL N N 41 116.100 117.936 -1.836 1
1 529 . 11 1 1 A 42 42 ARG H H 42 7.990 7.702 0.288 1
1 530 . 11 1 1 A 42 42 ARG HA H 42 3.970 3.990 -0.020 1
1 537 . 11 1 1 A 42 42 ARG C C 42 176.600 178.402 -1.802 1
1 538 . 11 1 1 A 42 42 ARG CA C 42 58.500 58.815 -0.315 1
1 539 . 11 1 1 A 42 42 ARG CB C 42 29.700 29.940 -0.240 1
1 542 . 11 1 1 A 42 42 ARG N N 42 120.900 123.032 -2.132 1
1 543 . 11 1 1 A 43 43 LEU H H 43 8.930 7.560 1.370 1
1 544 . 11 1 1 A 43 43 LEU HA H 43 4.060 3.988 0.072 1
1 554 . 11 1 1 A 43 43 LEU C C 43 176.200 176.973 -0.773 1
1 555 . 11 1 1 A 43 43 LEU CA C 43 56.100 57.634 -1.534 1
1 556 . 11 1 1 A 43 43 LEU CB C 43 40.100 42.086 -1.986 1
1 560 . 11 1 1 A 43 43 LEU N N 43 119.500 118.204 1.296 1
1 561 . 11 1 1 A 44 44 GLY H H 44 7.890 7.568 0.322 1
1 562 . 11 1 1 A 44 44 GLY HA2 H 44 3.930 3.976 -0.046 1
1 563 . 11 1 1 A 44 44 GLY HA3 H 44 4.540 3.976 0.564 1
1 564 . 11 1 1 A 44 44 GLY CA C 44 44.900 45.419 -0.519 1
1 565 . 11 1 1 A 44 44 GLY N N 44 107.000 104.719 2.281 1
1 566 . 11 1 1 A 45 45 PRO HA H 45 4.360 4.298 0.062 1
1 573 . 11 1 1 A 45 45 PRO C C 45 176.900 177.988 -1.088 1
1 574 . 11 1 1 A 45 45 PRO CA C 45 64.400 65.423 -1.023 1
1 575 . 11 1 1 A 45 45 PRO CB C 45 31.900 31.589 0.311 1
1 578 . 11 1 1 A 46 46 LEU H H 46 8.660 7.916 0.744 1
1 579 . 11 1 1 A 46 46 LEU HA H 46 3.970 4.273 -0.303 1
1 589 . 11 1 1 A 46 46 LEU C C 46 176.300 176.985 -0.685 1
1 590 . 11 1 1 A 46 46 LEU CA C 46 55.900 54.963 0.937 1
1 591 . 11 1 1 A 46 46 LEU CB C 46 43.500 41.901 1.599 1
1 595 . 11 1 1 A 46 46 LEU N N 46 117.000 116.617 0.383 1
1 596 . 11 1 1 A 47 47 SER H H 47 7.160 7.622 -0.462 1
1 597 . 11 1 1 A 47 47 SER HA H 47 4.080 4.371 -0.291 1
1 600 . 11 1 1 A 47 47 SER C C 47 176.600 174.395 2.205 1
1 601 . 11 1 1 A 47 47 SER CA C 47 59.100 58.990 0.110 1
1 602 . 11 1 1 A 47 47 SER CB C 47 62.800 63.930 -1.130 1
1 603 . 11 1 1 A 47 47 SER N N 47 110.300 114.780 -4.480 1
1 604 . 11 1 1 A 48 48 ASN H H 48 11.000 8.898 2.102 1
1 605 . 11 1 1 A 48 48 ASN HA H 48 4.090 4.308 -0.218 1
1 610 . 11 1 1 A 48 48 ASN C C 48 174.700 173.784 0.916 1
1 611 . 11 1 1 A 48 48 ASN CA C 48 55.200 54.756 0.444 1
1 612 . 11 1 1 A 48 48 ASN CB C 48 38.300 37.237 1.063 1
1 614 . 11 1 1 A 48 48 ASN N N 48 123.200 117.132 6.068 1
1 616 . 11 1 1 A 49 49 LYS H H 49 7.830 7.754 0.076 1
1 617 . 11 1 1 A 49 49 LYS HA H 49 4.360 4.545 -0.185 1
1 626 . 11 1 1 A 49 49 LYS C C 49 175.100 175.842 -0.742 1
1 627 . 11 1 1 A 49 49 LYS CA C 49 56.100 55.490 0.610 1
1 628 . 11 1 1 A 49 49 LYS CB C 49 33.200 33.959 -0.759 1
1 632 . 11 1 1 A 49 49 LYS N N 49 119.400 120.034 -0.634 1
1 633 . 11 1 1 A 50 50 ILE H H 50 8.570 8.353 0.217 1
1 634 . 11 1 1 A 50 50 ILE HA H 50 4.160 4.317 -0.157 1
1 644 . 11 1 1 A 50 50 ILE C C 50 175.000 175.395 -0.395 1
1 645 . 11 1 1 A 50 50 ILE CA C 50 61.200 61.449 -0.249 1
1 646 . 11 1 1 A 50 50 ILE CB C 50 36.900 37.369 -0.469 1
1 650 . 11 1 1 A 50 50 ILE N N 50 123.000 125.515 -2.515 1
1 651 . 11 1 1 A 51 51 LEU H H 51 9.270 8.624 0.646 1
1 652 . 11 1 1 A 51 51 LEU HA H 51 5.170 5.051 0.119 1
1 662 . 11 1 1 A 51 51 LEU C C 51 176.300 176.373 -0.073 1
1 663 . 11 1 1 A 51 51 LEU CA C 51 52.500 53.041 -0.541 1
1 664 . 11 1 1 A 51 51 LEU CB C 51 42.600 45.142 -2.542 1
1 668 . 11 1 1 A 51 51 LEU N N 51 127.000 128.971 -1.971 1
1 669 . 11 1 1 A 52 52 GLN H H 52 9.110 8.328 0.782 1
1 670 . 11 1 1 A 52 52 GLN HA H 52 4.590 4.649 -0.059 1
1 677 . 11 1 1 A 52 52 GLN C C 52 175.000 175.106 -0.106 1
1 678 . 11 1 1 A 52 52 GLN CA C 52 56.800 56.099 0.701 1
1 679 . 11 1 1 A 52 52 GLN CB C 52 29.200 29.400 -0.200 1
1 682 . 11 1 1 A 52 52 GLN N N 52 122.700 123.311 -0.611 1
1 684 . 11 1 1 A 53 53 THR H H 53 9.110 8.489 0.621 1
1 685 . 11 1 1 A 53 53 THR HA H 53 4.730 4.655 0.075 1
1 690 . 11 1 1 A 53 53 THR C C 53 172.500 173.389 -0.889 1
1 691 . 11 1 1 A 53 53 THR CA C 53 60.500 63.125 -2.625 1
1 692 . 11 1 1 A 53 53 THR CB C 53 69.800 69.653 0.147 1
1 694 . 11 1 1 A 53 53 THR N N 53 121.500 121.454 0.046 1
1 695 . 11 1 1 A 54 54 ASN H H 54 8.210 8.652 -0.442 1
1 696 . 11 1 1 A 54 54 ASN HA H 54 5.400 5.498 -0.098 1
1 701 . 11 1 1 A 54 54 ASN C C 54 172.900 173.645 -0.745 1
1 702 . 11 1 1 A 54 54 ASN CA C 54 52.400 52.034 0.366 1
1 703 . 11 1 1 A 54 54 ASN CB C 54 40.900 41.507 -0.607 1
1 705 . 11 1 1 A 54 54 ASN N N 54 125.400 125.666 -0.266 1
1 707 . 11 1 1 A 55 55 THR H H 55 8.510 8.322 0.188 1
1 708 . 11 1 1 A 55 55 THR HA H 55 5.120 5.341 -0.221 1
1 713 . 11 1 1 A 55 55 THR C C 55 172.800 172.614 0.186 1
1 714 . 11 1 1 A 55 55 THR CA C 55 61.400 58.969 2.431 1
1 715 . 11 1 1 A 55 55 THR CB C 55 69.700 71.416 -1.716 1
1 717 . 11 1 1 A 55 55 THR N N 55 119.300 117.512 1.788 1
1 718 . 11 1 1 A 56 56 TYR H H 56 8.460 8.474 -0.014 1
1 719 . 11 1 1 A 56 56 TYR HA H 56 5.260 5.759 -0.499 1
1 726 . 11 1 1 A 56 56 TYR C C 56 173.400 174.070 -0.670 1
1 727 . 11 1 1 A 56 56 TYR CA C 56 57.500 56.131 1.369 1
1 728 . 11 1 1 A 56 56 TYR CB C 56 41.400 41.233 0.167 1
1 733 . 11 1 1 A 56 56 TYR N N 56 125.400 120.042 5.358 1
1 734 . 11 1 1 A 57 57 TYR H H 57 8.450 9.205 -0.755 1
1 735 . 11 1 1 A 57 57 TYR HA H 57 4.530 5.041 -0.511 1
1 742 . 11 1 1 A 57 57 TYR C C 57 172.400 174.886 -2.486 1
1 743 . 11 1 1 A 57 57 TYR CA C 57 56.600 55.896 0.704 1
1 744 . 11 1 1 A 57 57 TYR CB C 57 41.700 40.942 0.758 1
1 749 . 11 1 1 A 57 57 TYR N N 57 113.900 123.171 -9.271 1
1 750 . 11 1 1 A 58 58 SER H H 58 7.100 8.303 -1.203 1
1 751 . 11 1 1 A 58 58 SER HA H 58 4.750 4.931 -0.181 1
1 754 . 11 1 1 A 58 58 SER C C 58 173.800 173.758 0.042 1
1 755 . 11 1 1 A 58 58 SER CA C 58 56.600 57.667 -1.067 1
1 756 . 11 1 1 A 58 58 SER CB C 58 65.600 66.959 -1.359 1
1 757 . 11 1 1 A 58 58 SER N N 58 114.200 118.124 -3.924 1
1 758 . 11 1 1 A 59 59 ASP H H 59 9.140 9.159 -0.019 1
1 759 . 11 1 1 A 59 59 ASP HA H 59 4.550 4.534 0.016 1
1 762 . 11 1 1 A 59 59 ASP C C 59 179.000 178.364 0.636 1
1 763 . 11 1 1 A 59 59 ASP CA C 59 58.500 58.080 0.420 1
1 764 . 11 1 1 A 59 59 ASP CB C 59 40.400 40.353 0.047 1
1 765 . 11 1 1 A 59 59 ASP N N 59 121.800 124.835 -3.035 1
1 766 . 11 1 1 A 60 60 THR H H 60 9.060 7.985 1.075 1
1 767 . 11 1 1 A 60 60 THR HA H 60 4.000 3.984 0.016 1
1 772 . 11 1 1 A 60 60 THR C C 60 178.000 176.508 1.492 1
1 773 . 11 1 1 A 60 60 THR CA C 60 67.300 67.880 -0.580 1
1 774 . 11 1 1 A 60 60 THR CB C 60 67.300 67.834 -0.534 1
1 776 . 11 1 1 A 60 60 THR N N 60 114.800 116.944 -2.144 1
1 777 . 11 1 1 A 61 61 LEU H H 61 7.950 7.902 0.048 1
1 778 . 11 1 1 A 61 61 LEU HA H 61 3.610 3.630 -0.020 1
1 788 . 11 1 1 A 61 61 LEU C C 61 178.900 179.065 -0.165 1
1 789 . 11 1 1 A 61 61 LEU CA C 61 58.600 57.556 1.044 1
1 790 . 11 1 1 A 61 61 LEU CB C 61 39.500 41.340 -1.840 1
1 794 . 11 1 1 A 61 61 LEU N N 61 126.100 120.589 5.511 1
1 795 . 11 1 1 A 62 62 HIS H H 62 8.260 7.911 0.349 1
1 796 . 11 1 1 A 62 62 HIS HA H 62 4.470 4.104 0.366 1
1 800 . 11 1 1 A 62 62 HIS C C 62 178.900 178.012 0.888 1
1 801 . 11 1 1 A 62 62 HIS CA C 62 58.600 59.581 -0.981 1
1 802 . 11 1 1 A 62 62 HIS CB C 62 29.500 29.665 -0.165 1
1 804 . 11 1 1 A 62 62 HIS N N 62 116.000 117.137 -1.137 1
1 805 . 11 1 1 A 63 63 LYS H H 63 7.790 7.983 -0.193 1
1 806 . 11 1 1 A 63 63 LYS HA H 63 3.960 3.916 0.044 1
1 815 . 11 1 1 A 63 63 LYS C C 63 177.900 178.831 -0.931 1
1 816 . 11 1 1 A 63 63 LYS CA C 63 59.200 59.566 -0.366 1
1 817 . 11 1 1 A 63 63 LYS CB C 63 32.400 32.134 0.266 1
1 821 . 11 1 1 A 63 63 LYS N N 63 119.100 119.623 -0.523 1
1 822 . 11 1 1 A 64 64 SER H H 64 7.580 7.551 0.029 1
1 823 . 11 1 1 A 64 64 SER HA H 64 4.260 4.504 -0.244 1
1 826 . 11 1 1 A 64 64 SER C C 64 172.100 173.672 -1.572 1
1 827 . 11 1 1 A 64 64 SER CA C 64 59.300 58.293 1.007 1
1 828 . 11 1 1 A 64 64 SER CB C 64 63.600 63.225 0.375 1
1 829 . 11 1 1 A 64 64 SER N N 64 112.470 111.863 0.607 1
1 830 . 11 1 1 A 65 65 ASN H H 65 7.760 8.055 -0.295 1
1 831 . 11 1 1 A 65 65 ASN HA H 65 3.870 4.384 -0.514 1
1 836 . 11 1 1 A 65 65 ASN C C 65 171.100 173.787 -2.687 1
1 837 . 11 1 1 A 65 65 ASN CA C 65 54.300 54.134 0.166 1
1 838 . 11 1 1 A 65 65 ASN CB C 65 37.500 37.244 0.256 1
1 840 . 11 1 1 A 65 65 ASN N N 65 117.600 118.461 -0.861 1
1 842 . 11 1 1 A 66 66 ILE H H 66 6.820 7.176 -0.356 1
1 843 . 11 1 1 A 66 66 ILE HA H 66 4.590 4.885 -0.295 1
1 853 . 11 1 1 A 66 66 ILE C C 66 174.000 174.302 -0.302 1
1 854 . 11 1 1 A 66 66 ILE CA C 66 58.200 60.367 -2.167 1
1 855 . 11 1 1 A 66 66 ILE CB C 66 40.200 40.205 -0.005 1
1 859 . 11 1 1 A 66 66 ILE N N 66 113.900 119.265 -5.365 1
1 860 . 11 1 1 A 67 67 TYR H H 67 8.530 8.576 -0.046 1
1 861 . 11 1 1 A 67 67 TYR HA H 67 5.050 4.766 0.284 1
1 868 . 11 1 1 A 67 67 TYR CA C 67 54.000 55.246 -1.246 1
1 869 . 11 1 1 A 67 67 TYR CB C 67 39.400 39.531 -0.131 1
1 874 . 11 1 1 A 67 67 TYR N N 67 120.200 127.090 -6.890 1
1 875 . 11 1 1 A 68 68 PRO HA H 68 5.120 4.982 0.138 1
1 882 . 11 1 1 A 68 68 PRO C C 68 174.600 176.180 -1.580 1
1 883 . 11 1 1 A 68 68 PRO CA C 68 61.500 62.595 -1.095 1
1 884 . 11 1 1 A 68 68 PRO CB C 68 32.200 32.008 0.192 1
1 887 . 11 1 1 A 69 69 PHE H H 69 8.870 9.218 -0.348 1
1 888 . 11 1 1 A 69 69 PHE HA H 69 6.330 5.334 0.996 1
1 896 . 11 1 1 A 69 69 PHE C C 69 173.000 175.095 -2.095 1
1 897 . 11 1 1 A 69 69 PHE CA C 69 56.300 56.337 -0.037 1
1 898 . 11 1 1 A 69 69 PHE CB C 69 42.900 41.799 1.101 1
1 903 . 11 1 1 A 69 69 PHE N N 69 118.400 123.295 -4.895 1
1 904 . 11 1 1 A 70 70 ILE H H 70 9.060 8.480 0.580 1
1 905 . 11 1 1 A 70 70 ILE HA H 70 4.840 4.922 -0.082 1
1 915 . 11 1 1 A 70 70 ILE C C 70 175.700 174.394 1.306 1
1 916 . 11 1 1 A 70 70 ILE CA C 70 61.900 60.722 1.178 1
1 917 . 11 1 1 A 70 70 ILE CB C 70 43.000 41.533 1.467 1
1 921 . 11 1 1 A 70 70 ILE N N 70 117.700 121.931 -4.231 1
1 922 . 11 1 1 A 71 71 LEU H H 71 9.320 8.855 0.465 1
1 923 . 11 1 1 A 71 71 LEU HA H 71 5.720 5.449 0.271 1
1 933 . 11 1 1 A 71 71 LEU C C 71 175.600 175.241 0.359 1
1 934 . 11 1 1 A 71 71 LEU CA C 71 52.400 53.963 -1.563 1
1 935 . 11 1 1 A 71 71 LEU CB C 71 43.700 44.618 -0.918 1
1 939 . 11 1 1 A 71 71 LEU N N 71 124.800 127.199 -2.399 1
1 940 . 11 1 1 A 72 72 TYR H H 72 9.250 8.888 0.362 1
1 941 . 11 1 1 A 72 72 TYR HA H 72 5.350 5.300 0.050 1
1 948 . 11 1 1 A 72 72 TYR C C 72 174.100 174.904 -0.804 1
1 949 . 11 1 1 A 72 72 TYR CA C 72 57.300 56.911 0.389 1
1 950 . 11 1 1 A 72 72 TYR CB C 72 44.500 42.592 1.908 1
1 955 . 11 1 1 A 72 72 TYR N N 72 120.700 121.903 -1.203 1
1 956 . 11 1 1 A 73 73 TYR H H 73 9.250 8.735 0.515 1
1 957 . 11 1 1 A 73 73 TYR HA H 73 5.110 4.812 0.298 1
1 964 . 11 1 1 A 73 73 TYR C C 73 174.500 174.814 -0.314 1
1 965 . 11 1 1 A 73 73 TYR CA C 73 56.500 58.157 -1.657 1
1 966 . 11 1 1 A 73 73 TYR CB C 73 40.400 40.281 0.119 1
1 971 . 11 1 1 A 73 73 TYR N N 73 120.300 123.995 -3.695 1
1 972 . 11 1 1 A 74 74 GLN H H 74 9.310 9.381 -0.071 1
1 973 . 11 1 1 A 74 74 GLN HA H 74 3.530 4.240 -0.710 1
1 980 . 11 1 1 A 74 74 GLN C C 74 175.400 175.291 0.109 1
1 981 . 11 1 1 A 74 74 GLN CA C 74 57.200 57.728 -0.528 1
1 982 . 11 1 1 A 74 74 GLN CB C 74 25.500 27.350 -1.850 1
1 985 . 11 1 1 A 74 74 GLN N N 74 126.000 127.356 -1.356 1
1 987 . 11 1 1 A 75 75 LYS H H 75 8.530 8.737 -0.207 1
1 988 . 11 1 1 A 75 75 LYS HA H 75 3.820 3.949 -0.129 1
1 997 . 11 1 1 A 75 75 LYS C C 75 175.500 175.534 -0.034 1
1 998 . 11 1 1 A 75 75 LYS CA C 75 57.300 58.599 -1.299 1
1 999 . 11 1 1 A 75 75 LYS CB C 75 30.900 31.031 -0.131 1
1 1003 . 11 1 1 A 75 75 LYS N N 75 113.600 118.416 -4.816 1
1 1004 . 11 1 1 A 76 76 GLN H H 76 8.550 8.087 0.463 1
1 1005 . 11 1 1 A 76 76 GLN HA H 76 4.470 5.055 -0.585 1
1 1012 . 11 1 1 A 76 76 GLN C C 76 175.400 175.113 0.287 1
1 1013 . 11 1 1 A 76 76 GLN CA C 76 54.700 54.341 0.359 1
1 1014 . 11 1 1 A 76 76 GLN CB C 76 29.900 31.700 -1.800 1
1 1017 . 11 1 1 A 76 76 GLN N N 76 122.200 117.136 5.064 1
1 1019 . 11 1 1 A 77 77 LEU H H 77 8.860 8.420 0.440 1
1 1020 . 11 1 1 A 77 77 LEU HA H 77 3.940 4.501 -0.561 1
1 1030 . 11 1 1 A 77 77 LEU C C 77 175.300 177.092 -1.792 1
1 1031 . 11 1 1 A 77 77 LEU CA C 77 56.800 53.602 3.198 1
1 1032 . 11 1 1 A 77 77 LEU CB C 77 41.800 43.660 -1.860 1
1 1036 . 11 1 1 A 77 77 LEU N N 77 128.900 119.979 8.921 1
1 1037 . 11 1 1 A 78 78 ILE H H 78 8.880 8.881 -0.001 1
1 1038 . 11 1 1 A 78 78 ILE HA H 78 4.810 4.460 0.350 1
1 1048 . 11 1 1 A 78 78 ILE C C 78 174.600 176.029 -1.429 1
1 1049 . 11 1 1 A 78 78 ILE CA C 78 58.300 62.250 -3.950 1
1 1050 . 11 1 1 A 78 78 ILE CB C 78 38.270 39.497 -1.227 1
1 1054 . 11 1 1 A 78 78 ILE N N 78 126.900 119.381 7.519 1
1 1055 . 11 1 1 A 79 79 ALA H H 79 7.940 7.441 0.499 1
1 1056 . 11 1 1 A 79 79 ALA HA H 79 5.390 4.864 0.526 1
1 1060 . 11 1 1 A 79 79 ALA C C 79 175.300 175.208 0.092 1
1 1061 . 11 1 1 A 79 79 ALA CA C 79 51.600 51.732 -0.132 1
1 1062 . 11 1 1 A 79 79 ALA CB C 79 24.000 22.654 1.346 1
1 1063 . 11 1 1 A 79 79 ALA N N 79 115.000 119.546 -4.546 1
1 1064 . 11 1 1 A 80 80 ILE H H 80 8.580 8.316 0.264 1
1 1065 . 11 1 1 A 80 80 ILE HA H 80 4.840 5.174 -0.334 1
1 1075 . 11 1 1 A 80 80 ILE C C 80 175.000 175.041 -0.041 1
1 1076 . 11 1 1 A 80 80 ILE CA C 80 60.300 58.821 1.479 1
1 1077 . 11 1 1 A 80 80 ILE CB C 80 42.800 41.551 1.249 1
1 1081 . 11 1 1 A 80 80 ILE N N 80 117.900 116.212 1.688 1
1 1082 . 11 1 1 A 81 81 GLY H H 81 8.200 8.110 0.090 1
1 1083 . 11 1 1 A 81 81 GLY HA2 H 81 3.750 3.767 -0.017 1
1 1084 . 11 1 1 A 81 81 GLY HA3 H 81 4.070 4.081 -0.011 1
1 1085 . 11 1 1 A 81 81 GLY C C 81 169.100 171.687 -2.587 1
1 1086 . 11 1 1 A 81 81 GLY CA C 81 46.600 45.472 1.128 1
1 1087 . 11 1 1 A 81 81 GLY N N 81 116.400 109.119 7.281 1
1 1088 . 11 1 1 A 82 82 PHE H H 82 8.210 8.164 0.046 1
1 1089 . 11 1 1 A 82 82 PHE HA H 82 5.340 5.841 -0.501 1
1 1094 . 11 1 1 A 82 82 PHE C C 82 172.400 172.617 -0.217 1
1 1095 . 11 1 1 A 82 82 PHE CA C 82 56.300 55.810 0.490 1
1 1096 . 11 1 1 A 82 82 PHE CB C 82 40.100 42.626 -2.526 1
1 1099 . 11 1 1 A 82 82 PHE N N 82 114.500 113.696 0.804 1
1 1100 . 11 1 1 A 83 83 ILE H H 83 8.490 9.052 -0.562 1
1 1101 . 11 1 1 A 83 83 ILE HA H 83 4.740 4.518 0.222 1
1 1111 . 11 1 1 A 83 83 ILE C C 83 175.200 174.145 1.055 1
1 1112 . 11 1 1 A 83 83 ILE CA C 83 60.400 59.996 0.404 1
1 1113 . 11 1 1 A 83 83 ILE CB C 83 39.500 38.997 0.503 1
1 1117 . 11 1 1 A 83 83 ILE N N 83 123.400 120.100 3.300 1
1 1118 . 11 1 1 A 84 84 ASP H H 84 8.550 8.607 -0.057 1
1 1119 . 11 1 1 A 84 84 ASP HA H 84 5.170 5.003 0.167 1
1 1122 . 11 1 1 A 84 84 ASP C C 84 178.600 176.447 2.153 1
1 1123 . 11 1 1 A 84 84 ASP CA C 84 52.200 53.516 -1.316 1
1 1124 . 11 1 1 A 84 84 ASP CB C 84 42.400 42.139 0.261 1
1 1125 . 11 1 1 A 84 84 ASP N N 84 126.900 127.954 -1.054 1
1 1126 . 11 1 1 A 85 85 GLU H H 85 9.250 9.458 -0.208 1
1 1127 . 11 1 1 A 85 85 GLU HA H 85 4.350 4.059 0.291 1
1 1132 . 11 1 1 A 85 85 GLU C C 85 176.800 175.553 1.247 1
1 1133 . 11 1 1 A 85 85 GLU CA C 85 58.400 57.559 0.841 1
1 1134 . 11 1 1 A 85 85 GLU CB C 85 28.700 28.507 0.193 1
1 1136 . 11 1 1 A 85 85 GLU N N 85 118.000 126.393 -8.393 1
1 1137 . 11 1 1 A 86 86 ASN H H 86 8.280 8.698 -0.418 1
1 1138 . 11 1 1 A 86 86 ASN HA H 86 4.760 4.206 0.554 1
1 1143 . 11 1 1 A 86 86 ASN C C 86 174.600 173.962 0.638 1
1 1144 . 11 1 1 A 86 86 ASN CA C 86 52.800 54.628 -1.828 1
1 1145 . 11 1 1 A 86 86 ASN CB C 86 38.900 37.355 1.545 1
1 1147 . 11 1 1 A 86 86 ASN N N 86 118.300 109.752 8.548 1
1 1149 . 11 1 1 A 87 87 HIS H H 87 8.570 7.634 0.936 1
1 1150 . 11 1 1 A 87 87 HIS HA H 87 3.940 4.625 -0.685 1
1 1154 . 11 1 1 A 87 87 HIS C C 87 173.600 173.563 0.037 1
1 1155 . 11 1 1 A 87 87 HIS CA C 87 57.000 55.922 1.078 1
1 1156 . 11 1 1 A 87 87 HIS CB C 87 26.700 32.513 -5.813 1
1 1158 . 11 1 1 A 87 87 HIS N N 87 114.000 116.790 -2.790 1
1 1159 . 11 1 1 A 88 88 ASP H H 88 8.210 7.653 0.557 1
1 1160 . 11 1 1 A 88 88 ASP HA H 88 4.840 3.897 0.943 1
1 1163 . 11 1 1 A 88 88 ASP C C 88 174.800 174.937 -0.137 1
1 1164 . 11 1 1 A 88 88 ASP CA C 88 53.900 54.621 -0.721 1
1 1165 . 11 1 1 A 88 88 ASP CB C 88 41.500 39.357 2.143 1
1 1166 . 11 1 1 A 88 88 ASP N N 88 120.300 124.029 -3.729 1
1 1167 . 11 1 1 A 89 89 MET H H 89 8.550 8.582 -0.032 1
1 1168 . 11 1 1 A 89 89 MET HA H 89 4.450 4.459 -0.009 1
1 1176 . 11 1 1 A 89 89 MET C C 89 173.400 174.501 -1.101 1
1 1177 . 11 1 1 A 89 89 MET CA C 89 55.800 53.129 2.671 1
1 1178 . 11 1 1 A 89 89 MET CB C 89 34.700 32.702 1.998 1
1 1181 . 11 1 1 A 89 89 MET N N 89 120.400 124.444 -4.044 1
1 1182 . 11 1 1 A 90 90 ASP H H 90 8.420 8.065 0.355 1
1 1183 . 11 1 1 A 90 90 ASP HA H 90 4.580 4.709 -0.129 1
1 1186 . 11 1 1 A 90 90 ASP C C 90 174.600 174.469 0.131 1
1 1187 . 11 1 1 A 90 90 ASP CA C 90 52.300 52.201 0.099 1
1 1188 . 11 1 1 A 90 90 ASP CB C 90 41.800 41.009 0.791 1
1 1189 . 11 1 1 A 90 90 ASP N N 90 126.900 125.702 1.198 1
1 1190 . 11 1 1 A 91 91 PHE H H 91 8.350 8.842 -0.492 1
1 1191 . 11 1 1 A 91 91 PHE HA H 91 4.780 5.116 -0.336 1
1 1199 . 11 1 1 A 91 91 PHE C C 91 175.600 175.774 -0.174 1
1 1200 . 11 1 1 A 91 91 PHE CA C 91 58.200 56.898 1.302 1
1 1201 . 11 1 1 A 91 91 PHE CB C 91 41.400 38.984 2.416 1
1 1207 . 11 1 1 A 91 91 PHE N N 91 118.600 125.030 -6.430 1
1 1208 . 11 1 1 A 92 92 LEU H H 92 9.060 8.742 0.318 1
1 1209 . 11 1 1 A 92 92 LEU HA H 92 4.330 4.061 0.269 1
1 1219 . 11 1 1 A 92 92 LEU C C 92 175.700 176.535 -0.835 1
1 1220 . 11 1 1 A 92 92 LEU CA C 92 55.200 57.105 -1.905 1
1 1221 . 11 1 1 A 92 92 LEU CB C 92 43.500 42.127 1.373 1
1 1225 . 11 1 1 A 92 92 LEU N N 92 121.100 126.622 -5.522 1
1 1226 . 11 1 1 A 93 93 TYR H H 93 7.970 7.606 0.364 1
1 1227 . 11 1 1 A 93 93 TYR HA H 93 4.780 4.851 -0.071 1
1 1234 . 11 1 1 A 93 93 TYR C C 93 172.800 173.057 -0.257 1
1 1235 . 11 1 1 A 93 93 TYR CA C 93 57.600 57.554 0.046 1
1 1236 . 11 1 1 A 93 93 TYR CB C 93 42.500 41.380 1.120 1
1 1241 . 11 1 1 A 93 93 TYR N N 93 118.600 116.528 2.072 1
1 1242 . 11 1 1 A 94 94 LEU H H 94 8.220 8.554 -0.334 1
1 1243 . 11 1 1 A 94 94 LEU HA H 94 5.060 5.167 -0.107 1
1 1253 . 11 1 1 A 94 94 LEU C C 94 171.900 174.183 -2.283 1
1 1254 . 11 1 1 A 94 94 LEU CA C 94 55.100 53.201 1.899 1
1 1255 . 11 1 1 A 94 94 LEU CB C 94 44.800 45.212 -0.412 1
1 1259 . 11 1 1 A 94 94 LEU N N 94 128.600 130.581 -1.981 1
1 1260 . 11 1 1 A 95 95 HIS H H 95 9.720 8.773 0.947 1
1 1261 . 11 1 1 A 95 95 HIS HA H 95 4.570 5.295 -0.725 1
1 1266 . 11 1 1 A 95 95 HIS C C 95 173.100 173.310 -0.210 1
1 1267 . 11 1 1 A 95 95 HIS CA C 95 55.500 53.202 2.298 1
1 1268 . 11 1 1 A 95 95 HIS CB C 95 35.900 32.867 3.033 1
1 1271 . 11 1 1 A 95 95 HIS N N 95 133.000 126.377 6.623 1
1 1272 . 11 1 1 A 96 96 ASN H H 96 7.670 8.629 -0.959 1
1 1273 . 11 1 1 A 96 96 ASN HA H 96 4.930 4.867 0.063 1
1 1278 . 11 1 1 A 96 96 ASN C C 96 176.100 176.457 -0.357 1
1 1279 . 11 1 1 A 96 96 ASN CA C 96 51.000 52.088 -1.088 1
1 1280 . 11 1 1 A 96 96 ASN CB C 96 38.500 39.452 -0.952 1
1 1281 . 11 1 1 A 96 96 ASN N N 96 118.600 124.593 -5.993 1
1 1283 . 11 1 1 A 97 97 THR H H 97 10.580 8.745 1.835 1
1 1284 . 11 1 1 A 97 97 THR HA H 97 4.090 4.086 0.004 1
1 1289 . 11 1 1 A 97 97 THR C C 97 174.600 175.245 -0.645 1
1 1290 . 11 1 1 A 97 97 THR CA C 97 67.000 65.938 1.062 1
1 1291 . 11 1 1 A 97 97 THR CB C 97 68.300 68.571 -0.271 1
1 1293 . 11 1 1 A 97 97 THR N N 97 116.300 116.551 -0.251 1
1 1294 . 11 1 1 A 98 98 VAL H H 98 8.440 7.929 0.511 1
1 1295 . 11 1 1 A 98 98 VAL HA H 98 4.180 4.292 -0.112 1
1 1303 . 11 1 1 A 98 98 VAL C C 98 174.800 174.954 -0.154 1
1 1304 . 11 1 1 A 98 98 VAL CA C 98 64.400 60.987 3.413 1
1 1305 . 11 1 1 A 98 98 VAL CB C 98 33.100 31.826 1.274 1
1 1308 . 11 1 1 A 98 98 VAL N N 98 123.900 118.742 5.158 1
1 1309 . 11 1 1 A 99 99 MET H H 99 8.590 7.391 1.199 1
1 1310 . 11 1 1 A 99 99 MET HA H 99 4.720 4.744 -0.024 1
1 1318 . 11 1 1 A 99 99 MET CA C 99 52.400 53.553 -1.153 1
1 1319 . 11 1 1 A 99 99 MET CB C 99 34.100 32.652 1.448 1
1 1322 . 11 1 1 A 99 99 MET N N 99 118.700 122.436 -3.736 1
1 1323 . 11 1 1 A 100 100 PRO HA H 100 4.210 4.251 -0.041 1
1 1330 . 11 1 1 A 100 100 PRO C C 100 175.900 176.364 -0.464 1
1 1331 . 11 1 1 A 100 100 PRO CA C 100 62.100 63.124 -1.024 1
1 1332 . 11 1 1 A 100 100 PRO CB C 100 31.000 31.510 -0.510 1
1 1335 . 11 1 1 A 101 101 LEU H H 101 9.010 8.648 0.362 1
1 1336 . 11 1 1 A 101 101 LEU HA H 101 4.310 4.272 0.038 1
1 1346 . 11 1 1 A 101 101 LEU C C 101 176.900 176.599 0.301 1
1 1347 . 11 1 1 A 101 101 LEU CA C 101 55.000 56.286 -1.286 1
1 1348 . 11 1 1 A 101 101 LEU CB C 101 42.800 42.200 0.600 1
1 1352 . 11 1 1 A 101 101 LEU N N 101 124.000 119.312 4.688 1
1 1353 . 11 1 1 A 102 102 LEU H H 102 7.620 7.823 -0.203 1
1 1354 . 11 1 1 A 102 102 LEU HA H 102 4.360 4.726 -0.366 1
1 1364 . 11 1 1 A 102 102 LEU C C 102 174.800 174.330 0.470 1
1 1365 . 11 1 1 A 102 102 LEU CA C 102 54.900 53.852 1.048 1
1 1366 . 11 1 1 A 102 102 LEU CB C 102 45.300 44.295 1.005 1
1 1370 . 11 1 1 A 102 102 LEU N N 102 119.000 118.374 0.626 1
1 1371 . 11 1 1 A 103 103 ASP H H 103 9.120 8.786 0.334 1
1 1372 . 11 1 1 A 103 103 ASP HA H 103 5.100 4.650 0.450 1
1 1375 . 11 1 1 A 103 103 ASP C C 103 174.500 174.291 0.209 1
1 1376 . 11 1 1 A 103 103 ASP CA C 103 54.900 53.058 1.842 1
1 1377 . 11 1 1 A 103 103 ASP CB C 103 41.000 41.445 -0.445 1
1 1378 . 11 1 1 A 103 103 ASP N N 103 120.700 125.274 -4.574 1
1 1379 . 11 1 1 A 104 104 GLN H H 104 8.990 8.800 0.190 1
1 1380 . 11 1 1 A 104 104 GLN HA H 104 4.710 4.678 0.032 1
1 1387 . 11 1 1 A 104 104 GLN C C 104 176.100 175.633 0.467 1
1 1388 . 11 1 1 A 104 104 GLN CA C 104 54.100 55.051 -0.951 1
1 1389 . 11 1 1 A 104 104 GLN CB C 104 28.500 29.457 -0.957 1
1 1392 . 11 1 1 A 104 104 GLN N N 104 125.400 123.702 1.698 1
1 1394 . 11 1 1 A 105 105 ARG H H 105 8.380 8.943 -0.563 1
1 1395 . 11 1 1 A 105 105 ARG HA H 105 3.510 4.141 -0.631 1
1 1402 . 11 1 1 A 105 105 ARG C C 105 177.500 178.278 -0.778 1
1 1403 . 11 1 1 A 105 105 ARG CA C 105 60.200 58.286 1.914 1
1 1404 . 11 1 1 A 105 105 ARG CB C 105 29.400 30.631 -1.231 1
1 1407 . 11 1 1 A 105 105 ARG N N 105 117.700 126.197 -8.497 1
1 1408 . 11 1 1 A 106 106 TYR H H 106 7.800 8.329 -0.529 1
1 1409 . 11 1 1 A 106 106 TYR HA H 106 4.360 4.299 0.061 1
1 1416 . 11 1 1 A 106 106 TYR C C 106 176.800 177.553 -0.753 1
1 1417 . 11 1 1 A 106 106 TYR CA C 106 58.600 60.839 -2.239 1
1 1418 . 11 1 1 A 106 106 TYR CB C 106 36.000 37.180 -1.180 1
1 1423 . 11 1 1 A 106 106 TYR N N 106 118.100 118.213 -0.113 1
1 1424 . 11 1 1 A 107 107 LEU H H 107 7.170 6.635 0.535 1
1 1425 . 11 1 1 A 107 107 LEU HA H 107 3.970 4.231 -0.261 1
1 1435 . 11 1 1 A 107 107 LEU C C 107 178.300 178.080 0.220 1
1 1436 . 11 1 1 A 107 107 LEU CA C 107 56.600 57.872 -1.272 1
1 1437 . 11 1 1 A 107 107 LEU CB C 107 41.800 41.225 0.575 1
1 1441 . 11 1 1 A 107 107 LEU N N 107 121.900 124.161 -2.261 1
1 1442 . 11 1 1 A 108 108 LEU H H 108 7.680 7.477 0.203 1
1 1443 . 11 1 1 A 108 108 LEU HA H 108 4.070 3.877 0.193 1
1 1453 . 11 1 1 A 108 108 LEU C C 108 177.500 177.893 -0.393 1
1 1454 . 11 1 1 A 108 108 LEU CA C 108 55.400 58.170 -2.770 1
1 1455 . 11 1 1 A 108 108 LEU CB C 108 41.500 41.688 -0.188 1
1 1459 . 11 1 1 A 108 108 LEU N N 108 115.400 119.902 -4.502 1
1 1460 . 11 1 1 A 109 109 THR H H 109 7.510 8.028 -0.518 1
1 1461 . 11 1 1 A 109 109 THR HA H 109 4.310 4.477 -0.167 1
1 1466 . 11 1 1 A 109 109 THR C C 109 175.300 173.607 1.693 1
1 1467 . 11 1 1 A 109 109 THR CA C 109 61.600 61.960 -0.360 1
1 1468 . 11 1 1 A 109 109 THR CB C 109 69.500 68.196 1.304 1
1 1470 . 11 1 1 A 109 109 THR N N 109 108.800 110.816 -2.016 1
1 1471 . 11 1 1 A 110 110 GLY H H 110 8.010 7.290 0.720 1
1 1472 . 11 1 1 A 110 110 GLY HA2 H 110 3.950 4.182 -0.232 1
1 1473 . 11 1 1 A 110 110 GLY HA3 H 110 4.030 4.200 -0.170 1
1 1474 . 11 1 1 A 110 110 GLY C C 110 174.500 173.321 1.179 1
1 1475 . 11 1 1 A 110 110 GLY CA C 110 45.400 46.154 -0.754 1
1 1476 . 11 1 1 A 110 110 GLY N N 110 110.100 108.527 1.573 1
1 1477 . 11 1 1 A 111 111 GLY H H 111 8.310 8.685 -0.375 1
1 1478 . 11 1 1 A 111 111 GLY HA2 H 111 3.930 4.278 -0.348 1
1 1479 . 11 1 1 A 111 111 GLY HA3 H 111 3.930 4.339 -0.409 1
1 1480 . 11 1 1 A 111 111 GLY C C 111 173.700 173.351 0.349 1
1 1481 . 11 1 1 A 111 111 GLY CA C 111 45.400 45.600 -0.200 1
1 1482 . 11 1 1 A 111 111 GLY N N 111 108.300 112.222 -3.922 1
1 1483 . 11 1 1 A 112 112 GLN H H 112 8.280 7.761 0.519 1
1 1484 . 11 1 1 A 112 112 GLN HA H 112 4.270 4.446 -0.176 1
1 1491 . 11 1 1 A 112 112 GLN C C 112 175.700 175.552 0.148 1
1 1492 . 11 1 1 A 112 112 GLN CA C 112 55.600 55.289 0.311 1
1 1493 . 11 1 1 A 112 112 GLN CB C 112 29.200 29.375 -0.175 1
1 1496 . 11 1 1 A 112 112 GLN N N 112 119.200 119.300 -0.100 1
1 1498 . 11 1 1 A 113 113 LEU H H 113 8.260 8.559 -0.299 1
1 1499 . 11 1 1 A 113 113 LEU HA H 113 4.180 4.319 -0.139 1
1 1509 . 11 1 1 A 113 113 LEU C C 113 177.000 177.509 -0.509 1
1 1510 . 11 1 1 A 113 113 LEU CA C 113 55.100 54.987 0.113 1
1 1511 . 11 1 1 A 113 113 LEU CB C 113 42.100 42.382 -0.282 1
1 1515 . 11 1 1 A 113 113 LEU N N 113 122.800 124.769 -1.969 1
1 1516 . 11 1 1 A 114 114 GLU H H 114 8.290 8.740 -0.450 1
1 1517 . 11 1 1 A 114 114 GLU HA H 114 4.140 4.629 -0.489 1
1 1522 . 11 1 1 A 114 114 GLU CA C 114 56.300 56.621 -0.321 1
1 1523 . 11 1 1 A 114 114 GLU CB C 114 30.200 30.005 0.195 1
1 1 . 12 1 1 A 2 2 THR HA H 2 4.300 4.284 0.016 1
1 6 . 12 1 1 A 2 2 THR C C 2 174.800 175.754 -0.954 1
1 7 . 12 1 1 A 2 2 THR CA C 2 61.100 63.549 -2.449 1
1 8 . 12 1 1 A 2 2 THR CB C 2 70.400 68.264 2.136 1
1 10 . 12 1 1 A 3 3 LEU H H 3 8.760 7.789 0.971 1
1 11 . 12 1 1 A 3 3 LEU HA H 3 4.110 3.892 0.218 1
1 21 . 12 1 1 A 3 3 LEU C C 3 178.300 179.152 -0.852 1
1 22 . 12 1 1 A 3 3 LEU CA C 3 57.800 57.762 0.038 1
1 23 . 12 1 1 A 3 3 LEU CB C 3 41.600 41.069 0.531 1
1 27 . 12 1 1 A 3 3 LEU N N 3 123.600 122.295 1.305 1
1 28 . 12 1 1 A 4 4 GLU H H 4 8.740 8.139 0.601 1
1 29 . 12 1 1 A 4 4 GLU HA H 4 3.670 4.081 -0.411 1
1 34 . 12 1 1 A 4 4 GLU C C 4 177.900 179.139 -1.239 1
1 35 . 12 1 1 A 4 4 GLU CA C 4 60.000 59.428 0.572 1
1 36 . 12 1 1 A 4 4 GLU CB C 4 29.200 29.303 -0.103 1
1 38 . 12 1 1 A 4 4 GLU N N 4 116.500 118.657 -2.157 1
1 39 . 12 1 1 A 5 5 LEU H H 5 7.340 8.087 -0.747 1
1 40 . 12 1 1 A 5 5 LEU HA H 5 3.900 4.039 -0.139 1
1 50 . 12 1 1 A 5 5 LEU C C 5 178.900 178.345 0.555 1
1 51 . 12 1 1 A 5 5 LEU CA C 5 56.900 57.725 -0.825 1
1 52 . 12 1 1 A 5 5 LEU CB C 5 41.200 41.697 -0.497 1
1 56 . 12 1 1 A 5 5 LEU N N 5 120.500 121.452 -0.952 1
1 57 . 12 1 1 A 6 6 GLN H H 6 8.350 8.680 -0.330 1
1 58 . 12 1 1 A 6 6 GLN HA H 6 3.970 4.045 -0.075 1
1 63 . 12 1 1 A 6 6 GLN C C 6 179.700 177.708 1.992 1
1 64 . 12 1 1 A 6 6 GLN CA C 6 59.100 58.272 0.828 1
1 65 . 12 1 1 A 6 6 GLN CB C 6 29.100 28.326 0.774 1
1 67 . 12 1 1 A 6 6 GLN N N 6 120.800 117.939 2.861 1
1 68 . 12 1 1 A 7 7 LEU H H 7 8.620 8.487 0.133 1
1 69 . 12 1 1 A 7 7 LEU HA H 7 4.010 4.186 -0.176 1
1 79 . 12 1 1 A 7 7 LEU C C 7 176.900 178.789 -1.889 1
1 80 . 12 1 1 A 7 7 LEU CA C 7 57.800 57.865 -0.065 1
1 81 . 12 1 1 A 7 7 LEU CB C 7 41.700 41.755 -0.055 1
1 85 . 12 1 1 A 7 7 LEU N N 7 121.000 121.210 -0.210 1
1 86 . 12 1 1 A 8 8 LYS H H 8 7.750 7.672 0.078 1
1 87 . 12 1 1 A 8 8 LYS HA H 8 3.570 4.042 -0.472 1
1 96 . 12 1 1 A 8 8 LYS C C 8 179.400 178.970 0.430 1
1 97 . 12 1 1 A 8 8 LYS CA C 8 59.000 58.815 0.185 1
1 98 . 12 1 1 A 8 8 LYS CB C 8 32.400 32.001 0.399 1
1 102 . 12 1 1 A 8 8 LYS N N 8 119.700 118.868 0.832 1
1 103 . 12 1 1 A 9 9 HIS H H 9 8.520 7.828 0.692 1
1 104 . 12 1 1 A 9 9 HIS HA H 9 4.050 4.592 -0.542 1
1 107 . 12 1 1 A 9 9 HIS C C 9 176.500 176.717 -0.217 1
1 108 . 12 1 1 A 9 9 HIS CA C 9 59.400 58.950 0.450 1
1 109 . 12 1 1 A 9 9 HIS CB C 9 29.900 30.430 -0.530 1
1 110 . 12 1 1 A 9 9 HIS N N 9 120.500 120.067 0.433 1
1 111 . 12 1 1 A 10 10 TYR H H 10 7.990 8.139 -0.149 1
1 112 . 12 1 1 A 10 10 TYR HA H 10 4.160 3.997 0.163 1
1 119 . 12 1 1 A 10 10 TYR C C 10 177.400 177.108 0.292 1
1 120 . 12 1 1 A 10 10 TYR CA C 10 61.800 61.388 0.412 1
1 121 . 12 1 1 A 10 10 TYR CB C 10 39.500 38.788 0.712 1
1 126 . 12 1 1 A 10 10 TYR N N 10 119.200 120.256 -1.056 1
1 127 . 12 1 1 A 11 11 ILE H H 11 8.710 8.236 0.474 1
1 128 . 12 1 1 A 11 11 ILE HA H 11 3.540 3.647 -0.107 1
1 138 . 12 1 1 A 11 11 ILE CA C 11 61.600 64.479 -2.879 1
1 139 . 12 1 1 A 11 11 ILE CB C 11 36.200 37.637 -1.437 1
1 143 . 12 1 1 A 11 11 ILE N N 11 118.900 120.693 -1.793 1
1 144 . 12 1 1 A 12 12 THR HA H 12 3.840 4.054 -0.214 1
1 149 . 12 1 1 A 12 12 THR C C 12 176.900 176.498 0.402 1
1 150 . 12 1 1 A 12 12 THR CA C 12 66.400 65.941 0.459 1
1 151 . 12 1 1 A 12 12 THR CB C 12 68.300 68.289 0.011 1
1 153 . 12 1 1 A 13 13 ASN H H 13 7.440 8.403 -0.963 1
1 154 . 12 1 1 A 13 13 ASN HA H 13 4.420 4.315 0.105 1
1 159 . 12 1 1 A 13 13 ASN C C 13 176.700 177.231 -0.531 1
1 160 . 12 1 1 A 13 13 ASN CA C 13 55.900 56.518 -0.618 1
1 161 . 12 1 1 A 13 13 ASN CB C 13 38.600 38.328 0.272 1
1 163 . 12 1 1 A 13 13 ASN N N 13 118.300 120.452 -2.152 1
1 165 . 12 1 1 A 14 14 LEU H H 14 7.890 7.786 0.104 1
1 166 . 12 1 1 A 14 14 LEU HA H 14 3.660 3.733 -0.073 1
1 176 . 12 1 1 A 14 14 LEU C C 14 177.900 177.699 0.201 1
1 177 . 12 1 1 A 14 14 LEU CA C 14 57.600 57.562 0.038 1
1 178 . 12 1 1 A 14 14 LEU CB C 14 42.600 41.305 1.295 1
1 182 . 12 1 1 A 14 14 LEU N N 14 122.100 120.479 1.621 1
1 183 . 12 1 1 A 15 15 PHE H H 15 7.670 7.909 -0.239 1
1 184 . 12 1 1 A 15 15 PHE HA H 15 4.490 4.525 -0.035 1
1 191 . 12 1 1 A 15 15 PHE C C 15 173.800 174.746 -0.946 1
1 192 . 12 1 1 A 15 15 PHE CA C 15 57.900 57.060 0.840 1
1 193 . 12 1 1 A 15 15 PHE CB C 15 38.900 39.743 -0.843 1
1 198 . 12 1 1 A 15 15 PHE N N 15 111.800 113.860 -2.060 1
1 199 . 12 1 1 A 16 16 ASN H H 16 7.450 8.127 -0.677 1
1 200 . 12 1 1 A 16 16 ASN HA H 16 4.420 4.300 0.120 1
1 205 . 12 1 1 A 16 16 ASN C C 16 174.200 173.967 0.233 1
1 206 . 12 1 1 A 16 16 ASN CA C 16 54.100 54.094 0.006 1
1 207 . 12 1 1 A 16 16 ASN CB C 16 36.500 37.208 -0.708 1
1 209 . 12 1 1 A 16 16 ASN N N 16 118.500 118.431 0.069 1
1 211 . 12 1 1 A 17 17 LEU H H 17 8.410 8.065 0.345 1
1 212 . 12 1 1 A 17 17 LEU HA H 17 4.630 4.607 0.023 1
1 222 . 12 1 1 A 17 17 LEU CA C 17 52.300 52.539 -0.239 1
1 223 . 12 1 1 A 17 17 LEU CB C 17 41.000 42.062 -1.062 1
1 227 . 12 1 1 A 17 17 LEU N N 17 118.700 119.942 -1.242 1
1 228 . 12 1 1 A 18 18 PRO HA H 18 4.380 4.673 -0.293 1
1 235 . 12 1 1 A 18 18 PRO C C 18 178.600 177.465 1.135 1
1 236 . 12 1 1 A 18 18 PRO CA C 18 63.100 63.090 0.010 1
1 237 . 12 1 1 A 18 18 PRO CB C 18 31.800 31.733 0.067 1
1 240 . 12 1 1 A 19 19 ARG H H 19 8.650 8.544 0.106 1
1 241 . 12 1 1 A 19 19 ARG HA H 19 3.820 3.989 -0.169 1
1 248 . 12 1 1 A 19 19 ARG C C 19 176.500 176.710 -0.210 1
1 249 . 12 1 1 A 19 19 ARG CA C 19 58.100 57.923 0.177 1
1 250 . 12 1 1 A 19 19 ARG CB C 19 30.300 29.395 0.905 1
1 253 . 12 1 1 A 19 19 ARG N N 19 124.600 123.498 1.102 1
1 254 . 12 1 1 A 20 20 ASP H H 20 8.390 8.157 0.233 1
1 255 . 12 1 1 A 20 20 ASP HA H 20 4.550 4.598 -0.048 1
1 258 . 12 1 1 A 20 20 ASP C C 20 175.700 175.816 -0.116 1
1 259 . 12 1 1 A 20 20 ASP CA C 20 53.000 55.517 -2.517 1
1 260 . 12 1 1 A 20 20 ASP CB C 20 40.400 40.496 -0.096 1
1 261 . 12 1 1 A 20 20 ASP N N 20 114.300 118.608 -4.308 1
1 262 . 12 1 1 A 21 21 GLU H H 21 6.780 7.449 -0.669 1
1 263 . 12 1 1 A 21 21 GLU HA H 21 4.150 4.773 -0.623 1
1 268 . 12 1 1 A 21 21 GLU C C 21 175.400 175.866 -0.466 1
1 269 . 12 1 1 A 21 21 GLU CA C 21 56.200 55.513 0.687 1
1 270 . 12 1 1 A 21 21 GLU CB C 21 31.600 31.629 -0.029 1
1 272 . 12 1 1 A 21 21 GLU N N 21 121.600 121.049 0.551 1
1 273 . 12 1 1 A 22 22 LYS H H 22 8.860 8.734 0.126 1
1 274 . 12 1 1 A 22 22 LYS HA H 22 4.160 4.362 -0.202 1
1 283 . 12 1 1 A 22 22 LYS C C 22 176.100 176.057 0.043 1
1 284 . 12 1 1 A 22 22 LYS CA C 22 57.200 56.383 0.817 1
1 285 . 12 1 1 A 22 22 LYS CB C 22 33.000 33.434 -0.434 1
1 289 . 12 1 1 A 22 22 LYS N N 22 128.900 128.604 0.296 1
1 290 . 12 1 1 A 23 23 TRP H H 23 8.750 8.750 0.000 1
1 291 . 12 1 1 A 23 23 TRP HA H 23 5.400 5.159 0.241 1
1 300 . 12 1 1 A 23 23 TRP C C 23 176.500 174.954 1.546 1
1 301 . 12 1 1 A 23 23 TRP CA C 23 54.600 56.723 -2.123 1
1 302 . 12 1 1 A 23 23 TRP CB C 23 31.100 32.968 -1.868 1
1 308 . 12 1 1 A 23 23 TRP N N 23 126.100 126.654 -0.554 1
1 310 . 12 1 1 A 24 24 GLU H H 24 9.040 8.914 0.126 1
1 311 . 12 1 1 A 24 24 GLU HA H 24 4.590 5.069 -0.479 1
1 316 . 12 1 1 A 24 24 GLU C C 24 174.100 174.988 -0.888 1
1 317 . 12 1 1 A 24 24 GLU CA C 24 54.200 55.121 -0.921 1
1 318 . 12 1 1 A 24 24 GLU CB C 24 31.600 32.817 -1.217 1
1 320 . 12 1 1 A 24 24 GLU N N 24 122.700 121.714 0.986 1
1 321 . 12 1 1 A 25 25 CYS H H 25 8.740 8.992 -0.252 1
1 322 . 12 1 1 A 25 25 CYS HA H 25 4.870 5.025 -0.155 1
1 325 . 12 1 1 A 25 25 CYS C C 25 174.400 173.835 0.565 1
1 326 . 12 1 1 A 25 25 CYS CA C 25 57.200 57.355 -0.155 1
1 327 . 12 1 1 A 25 25 CYS CB C 25 30.200 28.958 1.242 1
1 328 . 12 1 1 A 25 25 CYS N N 25 119.900 125.836 -5.936 1
1 329 . 12 1 1 A 26 26 GLU H H 26 9.220 8.548 0.672 1
1 330 . 12 1 1 A 26 26 GLU HA H 26 4.740 4.977 -0.237 1
1 335 . 12 1 1 A 26 26 GLU C C 26 175.000 174.670 0.330 1
1 336 . 12 1 1 A 26 26 GLU CA C 26 55.100 54.590 0.510 1
1 337 . 12 1 1 A 26 26 GLU CB C 26 31.700 33.014 -1.314 1
1 339 . 12 1 1 A 26 26 GLU N N 26 131.200 125.051 6.149 1
1 340 . 12 1 1 A 27 27 SER H H 27 8.900 8.653 0.247 1
1 341 . 12 1 1 A 27 27 SER HA H 27 5.750 5.025 0.725 1
1 344 . 12 1 1 A 27 27 SER C C 27 173.600 173.624 -0.024 1
1 345 . 12 1 1 A 27 27 SER CA C 27 56.700 56.693 0.007 1
1 346 . 12 1 1 A 27 27 SER CB C 27 64.200 64.014 0.186 1
1 347 . 12 1 1 A 27 27 SER N N 27 125.100 122.328 2.772 1
1 348 . 12 1 1 A 28 28 ILE H H 28 8.540 9.451 -0.911 1
1 349 . 12 1 1 A 28 28 ILE HA H 28 4.680 4.549 0.131 1
1 359 . 12 1 1 A 28 28 ILE C C 28 174.100 174.931 -0.831 1
1 360 . 12 1 1 A 28 28 ILE CA C 28 59.800 60.129 -0.329 1
1 361 . 12 1 1 A 28 28 ILE CB C 28 42.700 41.513 1.187 1
1 365 . 12 1 1 A 28 28 ILE N N 28 123.200 128.941 -5.741 1
1 366 . 12 1 1 A 29 29 GLU H H 29 8.430 8.565 -0.135 1
1 367 . 12 1 1 A 29 29 GLU HA H 29 5.430 4.748 0.682 1
1 372 . 12 1 1 A 29 29 GLU C C 29 176.000 175.847 0.153 1
1 373 . 12 1 1 A 29 29 GLU CA C 29 55.600 56.450 -0.850 1
1 374 . 12 1 1 A 29 29 GLU CB C 29 31.200 30.419 0.781 1
1 376 . 12 1 1 A 29 29 GLU N N 29 123.900 127.081 -3.181 1
1 377 . 12 1 1 A 30 30 GLU H H 30 8.850 8.392 0.458 1
1 378 . 12 1 1 A 30 30 GLU HA H 30 4.730 4.757 -0.027 1
1 383 . 12 1 1 A 30 30 GLU C C 30 174.300 174.962 -0.662 1
1 384 . 12 1 1 A 30 30 GLU CA C 30 54.700 55.494 -0.794 1
1 385 . 12 1 1 A 30 30 GLU CB C 30 34.400 34.233 0.167 1
1 387 . 12 1 1 A 30 30 GLU N N 30 121.900 124.391 -2.491 1
1 388 . 12 1 1 A 31 31 VAL H H 31 9.260 8.896 0.364 1
1 389 . 12 1 1 A 31 31 VAL HA H 31 4.250 4.054 0.196 1
1 397 . 12 1 1 A 31 31 VAL C C 31 177.700 176.648 1.052 1
1 398 . 12 1 1 A 31 31 VAL CA C 31 62.500 63.713 -1.213 1
1 399 . 12 1 1 A 31 31 VAL CB C 31 31.800 31.751 0.049 1
1 402 . 12 1 1 A 31 31 VAL N N 31 124.500 126.583 -2.083 1
1 403 . 12 1 1 A 32 32 ALA H H 32 9.250 8.690 0.560 1
1 404 . 12 1 1 A 32 32 ALA HA H 32 3.710 4.023 -0.313 1
1 408 . 12 1 1 A 32 32 ALA C C 32 178.600 179.382 -0.782 1
1 409 . 12 1 1 A 32 32 ALA CA C 32 55.800 55.429 0.371 1
1 410 . 12 1 1 A 32 32 ALA CB C 32 19.400 18.275 1.125 1
1 411 . 12 1 1 A 32 32 ALA N N 32 129.900 129.112 0.788 1
1 412 . 12 1 1 A 33 33 ASP H H 33 9.510 8.301 1.209 1
1 413 . 12 1 1 A 33 33 ASP HA H 33 4.180 4.447 -0.267 1
1 416 . 12 1 1 A 33 33 ASP C C 33 176.300 178.164 -1.864 1
1 417 . 12 1 1 A 33 33 ASP CA C 33 54.600 57.337 -2.737 1
1 418 . 12 1 1 A 33 33 ASP CB C 33 39.200 41.703 -2.503 1
1 419 . 12 1 1 A 33 33 ASP N N 33 110.700 118.486 -7.786 1
1 420 . 12 1 1 A 34 34 ASP H H 34 7.830 8.008 -0.178 1
1 421 . 12 1 1 A 34 34 ASP HA H 34 4.650 4.547 0.103 1
1 424 . 12 1 1 A 34 34 ASP C C 34 176.300 177.405 -1.105 1
1 425 . 12 1 1 A 34 34 ASP CA C 34 55.100 56.206 -1.106 1
1 426 . 12 1 1 A 34 34 ASP CB C 34 41.000 40.718 0.282 1
1 427 . 12 1 1 A 34 34 ASP N N 34 114.700 117.349 -2.649 1
1 428 . 12 1 1 A 35 35 ILE H H 35 7.290 7.366 -0.076 1
1 429 . 12 1 1 A 35 35 ILE HA H 35 4.490 4.431 0.059 1
1 439 . 12 1 1 A 35 35 ILE C C 35 174.100 174.987 -0.887 1
1 440 . 12 1 1 A 35 35 ILE CA C 35 60.700 60.872 -0.172 1
1 441 . 12 1 1 A 35 35 ILE CB C 35 40.600 40.012 0.588 1
1 445 . 12 1 1 A 35 35 ILE N N 35 113.400 110.052 3.348 1
1 446 . 12 1 1 A 36 36 LEU H H 36 7.730 8.720 -0.990 1
1 447 . 12 1 1 A 36 36 LEU HA H 36 4.800 4.746 0.054 1
1 457 . 12 1 1 A 36 36 LEU CA C 36 52.200 51.186 1.014 1
1 458 . 12 1 1 A 36 36 LEU CB C 36 42.700 43.169 -0.469 1
1 462 . 12 1 1 A 36 36 LEU N N 36 120.400 124.512 -4.112 1
1 463 . 12 1 1 A 37 37 PRO HA H 37 4.440 4.573 -0.133 1
1 470 . 12 1 1 A 37 37 PRO C C 37 177.100 177.269 -0.169 1
1 471 . 12 1 1 A 37 37 PRO CA C 37 63.100 62.979 0.121 1
1 472 . 12 1 1 A 37 37 PRO CB C 37 32.700 32.801 -0.101 1
1 475 . 12 1 1 A 38 38 ASP H H 38 8.690 8.657 0.033 1
1 476 . 12 1 1 A 38 38 ASP HA H 38 4.230 4.311 -0.081 1
1 479 . 12 1 1 A 38 38 ASP C C 38 177.800 178.301 -0.501 1
1 480 . 12 1 1 A 38 38 ASP CA C 38 57.900 56.819 1.081 1
1 481 . 12 1 1 A 38 38 ASP CB C 38 42.200 40.360 1.840 1
1 482 . 12 1 1 A 38 38 ASP N N 38 123.800 122.035 1.765 1
1 483 . 12 1 1 A 39 39 GLN H H 39 9.080 7.928 1.152 1
1 484 . 12 1 1 A 39 39 GLN HA H 39 3.990 3.899 0.091 1
1 491 . 12 1 1 A 39 39 GLN C C 39 176.400 176.603 -0.203 1
1 492 . 12 1 1 A 39 39 GLN CA C 39 58.000 58.908 -0.908 1
1 493 . 12 1 1 A 39 39 GLN CB C 39 27.300 28.246 -0.946 1
1 496 . 12 1 1 A 39 39 GLN N N 39 115.100 118.325 -3.225 1
1 498 . 12 1 1 A 40 40 TYR H H 40 7.510 7.983 -0.473 1
1 499 . 12 1 1 A 40 40 TYR HA H 40 4.730 4.659 0.071 1
1 506 . 12 1 1 A 40 40 TYR C C 40 174.200 174.574 -0.374 1
1 507 . 12 1 1 A 40 40 TYR CA C 40 57.000 57.495 -0.495 1
1 508 . 12 1 1 A 40 40 TYR CB C 40 39.400 38.971 0.429 1
1 513 . 12 1 1 A 40 40 TYR N N 40 116.800 114.019 2.781 1
1 514 . 12 1 1 A 41 41 VAL H H 41 7.370 7.445 -0.075 1
1 515 . 12 1 1 A 41 41 VAL HA H 41 4.000 4.368 -0.368 1
1 523 . 12 1 1 A 41 41 VAL C C 41 175.400 175.677 -0.277 1
1 524 . 12 1 1 A 41 41 VAL CA C 41 62.800 61.660 1.140 1
1 525 . 12 1 1 A 41 41 VAL CB C 41 34.300 32.606 1.694 1
1 528 . 12 1 1 A 41 41 VAL N N 41 116.100 120.444 -4.344 1
1 529 . 12 1 1 A 42 42 ARG H H 42 7.990 8.408 -0.418 1
1 530 . 12 1 1 A 42 42 ARG HA H 42 3.970 4.576 -0.606 1
1 537 . 12 1 1 A 42 42 ARG C C 42 176.600 176.941 -0.341 1
1 538 . 12 1 1 A 42 42 ARG CA C 42 58.500 55.914 2.586 1
1 539 . 12 1 1 A 42 42 ARG CB C 42 29.700 32.209 -2.509 1
1 542 . 12 1 1 A 42 42 ARG N N 42 120.900 122.382 -1.482 1
1 543 . 12 1 1 A 43 43 LEU H H 43 8.930 8.035 0.895 1
1 544 . 12 1 1 A 43 43 LEU HA H 43 4.060 4.042 0.018 1
1 554 . 12 1 1 A 43 43 LEU C C 43 176.200 176.841 -0.641 1
1 555 . 12 1 1 A 43 43 LEU CA C 43 56.100 56.373 -0.273 1
1 556 . 12 1 1 A 43 43 LEU CB C 43 40.100 42.715 -2.615 1
1 560 . 12 1 1 A 43 43 LEU N N 43 119.500 120.043 -0.543 1
1 561 . 12 1 1 A 44 44 GLY H H 44 7.890 7.237 0.653 1
1 562 . 12 1 1 A 44 44 GLY HA2 H 44 3.930 3.977 -0.047 1
1 563 . 12 1 1 A 44 44 GLY HA3 H 44 4.540 3.977 0.563 1
1 564 . 12 1 1 A 44 44 GLY CA C 44 44.900 45.419 -0.519 1
1 565 . 12 1 1 A 44 44 GLY N N 44 107.000 106.251 0.749 1
1 566 . 12 1 1 A 45 45 PRO HA H 45 4.360 4.300 0.060 1
1 573 . 12 1 1 A 45 45 PRO C C 45 176.900 177.719 -0.819 1
1 574 . 12 1 1 A 45 45 PRO CA C 45 64.400 65.311 -0.911 1
1 575 . 12 1 1 A 45 45 PRO CB C 45 31.900 31.611 0.289 1
1 578 . 12 1 1 A 46 46 LEU H H 46 8.660 7.891 0.769 1
1 579 . 12 1 1 A 46 46 LEU HA H 46 3.970 4.271 -0.301 1
1 589 . 12 1 1 A 46 46 LEU C C 46 176.300 176.977 -0.677 1
1 590 . 12 1 1 A 46 46 LEU CA C 46 55.900 54.815 1.085 1
1 591 . 12 1 1 A 46 46 LEU CB C 46 43.500 41.826 1.674 1
1 595 . 12 1 1 A 46 46 LEU N N 46 117.000 116.551 0.449 1
1 596 . 12 1 1 A 47 47 SER H H 47 7.160 7.654 -0.494 1
1 597 . 12 1 1 A 47 47 SER HA H 47 4.080 4.488 -0.408 1
1 600 . 12 1 1 A 47 47 SER C C 47 176.600 175.442 1.158 1
1 601 . 12 1 1 A 47 47 SER CA C 47 59.100 58.932 0.168 1
1 602 . 12 1 1 A 47 47 SER CB C 47 62.800 63.196 -0.396 1
1 603 . 12 1 1 A 47 47 SER N N 47 110.300 116.429 -6.129 1
1 604 . 12 1 1 A 48 48 ASN H H 48 11.000 8.915 2.085 1
1 605 . 12 1 1 A 48 48 ASN HA H 48 4.090 4.403 -0.313 1
1 610 . 12 1 1 A 48 48 ASN C C 48 174.700 174.436 0.264 1
1 611 . 12 1 1 A 48 48 ASN CA C 48 55.200 53.975 1.225 1
1 612 . 12 1 1 A 48 48 ASN CB C 48 38.300 36.275 2.025 1
1 614 . 12 1 1 A 48 48 ASN N N 48 123.200 123.562 -0.362 1
1 616 . 12 1 1 A 49 49 LYS H H 49 7.830 7.674 0.156 1
1 617 . 12 1 1 A 49 49 LYS HA H 49 4.360 4.821 -0.461 1
1 626 . 12 1 1 A 49 49 LYS C C 49 175.100 175.091 0.009 1
1 627 . 12 1 1 A 49 49 LYS CA C 49 56.100 54.724 1.376 1
1 628 . 12 1 1 A 49 49 LYS CB C 49 33.200 35.378 -2.178 1
1 632 . 12 1 1 A 49 49 LYS N N 49 119.400 120.439 -1.039 1
1 633 . 12 1 1 A 50 50 ILE H H 50 8.570 8.604 -0.034 1
1 634 . 12 1 1 A 50 50 ILE HA H 50 4.160 4.472 -0.312 1
1 644 . 12 1 1 A 50 50 ILE C C 50 175.000 175.445 -0.445 1
1 645 . 12 1 1 A 50 50 ILE CA C 50 61.200 60.495 0.705 1
1 646 . 12 1 1 A 50 50 ILE CB C 50 36.900 37.683 -0.783 1
1 650 . 12 1 1 A 50 50 ILE N N 50 123.000 127.013 -4.013 1
1 651 . 12 1 1 A 51 51 LEU H H 51 9.270 8.782 0.488 1
1 652 . 12 1 1 A 51 51 LEU HA H 51 5.170 4.990 0.180 1
1 662 . 12 1 1 A 51 51 LEU C C 51 176.300 177.106 -0.806 1
1 663 . 12 1 1 A 51 51 LEU CA C 51 52.500 53.484 -0.984 1
1 664 . 12 1 1 A 51 51 LEU CB C 51 42.600 43.680 -1.080 1
1 668 . 12 1 1 A 51 51 LEU N N 51 127.000 129.406 -2.406 1
1 669 . 12 1 1 A 52 52 GLN H H 52 9.110 8.237 0.873 1
1 670 . 12 1 1 A 52 52 GLN HA H 52 4.590 4.640 -0.050 1
1 677 . 12 1 1 A 52 52 GLN C C 52 175.000 175.857 -0.857 1
1 678 . 12 1 1 A 52 52 GLN CA C 52 56.800 56.202 0.598 1
1 679 . 12 1 1 A 52 52 GLN CB C 52 29.200 29.211 -0.011 1
1 682 . 12 1 1 A 52 52 GLN N N 52 122.700 122.836 -0.136 1
1 684 . 12 1 1 A 53 53 THR H H 53 9.110 9.073 0.037 1
1 685 . 12 1 1 A 53 53 THR HA H 53 4.730 4.951 -0.221 1
1 690 . 12 1 1 A 53 53 THR C C 53 172.500 173.532 -1.032 1
1 691 . 12 1 1 A 53 53 THR CA C 53 60.500 60.867 -0.367 1
1 692 . 12 1 1 A 53 53 THR CB C 53 69.800 69.975 -0.175 1
1 694 . 12 1 1 A 53 53 THR N N 53 121.500 116.862 4.638 1
1 695 . 12 1 1 A 54 54 ASN H H 54 8.210 9.053 -0.843 1
1 696 . 12 1 1 A 54 54 ASN HA H 54 5.400 5.274 0.126 1
1 701 . 12 1 1 A 54 54 ASN C C 54 172.900 173.828 -0.928 1
1 702 . 12 1 1 A 54 54 ASN CA C 54 52.400 52.248 0.152 1
1 703 . 12 1 1 A 54 54 ASN CB C 54 40.900 39.095 1.805 1
1 705 . 12 1 1 A 54 54 ASN N N 54 125.400 124.828 0.572 1
1 707 . 12 1 1 A 55 55 THR H H 55 8.510 8.470 0.040 1
1 708 . 12 1 1 A 55 55 THR HA H 55 5.120 4.634 0.486 1
1 713 . 12 1 1 A 55 55 THR C C 55 172.800 173.505 -0.705 1
1 714 . 12 1 1 A 55 55 THR CA C 55 61.400 61.940 -0.540 1
1 715 . 12 1 1 A 55 55 THR CB C 55 69.700 70.062 -0.362 1
1 717 . 12 1 1 A 55 55 THR N N 55 119.300 121.442 -2.142 1
1 718 . 12 1 1 A 56 56 TYR H H 56 8.460 8.662 -0.202 1
1 719 . 12 1 1 A 56 56 TYR HA H 56 5.260 5.600 -0.340 1
1 726 . 12 1 1 A 56 56 TYR C C 56 173.400 174.120 -0.720 1
1 727 . 12 1 1 A 56 56 TYR CA C 56 57.500 55.915 1.585 1
1 728 . 12 1 1 A 56 56 TYR CB C 56 41.400 40.256 1.144 1
1 733 . 12 1 1 A 56 56 TYR N N 56 125.400 126.124 -0.724 1
1 734 . 12 1 1 A 57 57 TYR H H 57 8.450 9.535 -1.085 1
1 735 . 12 1 1 A 57 57 TYR HA H 57 4.530 5.362 -0.832 1
1 742 . 12 1 1 A 57 57 TYR C C 57 172.400 174.276 -1.876 1
1 743 . 12 1 1 A 57 57 TYR CA C 57 56.600 56.488 0.112 1
1 744 . 12 1 1 A 57 57 TYR CB C 57 41.700 40.755 0.945 1
1 749 . 12 1 1 A 57 57 TYR N N 57 113.900 123.633 -9.733 1
1 750 . 12 1 1 A 58 58 SER H H 58 7.100 8.913 -1.813 1
1 751 . 12 1 1 A 58 58 SER HA H 58 4.750 5.191 -0.441 1
1 754 . 12 1 1 A 58 58 SER C C 58 173.800 174.155 -0.355 1
1 755 . 12 1 1 A 58 58 SER CA C 58 56.600 56.171 0.429 1
1 756 . 12 1 1 A 58 58 SER CB C 58 65.600 65.400 0.200 1
1 757 . 12 1 1 A 58 58 SER N N 58 114.200 118.504 -4.304 1
1 758 . 12 1 1 A 59 59 ASP H H 59 9.140 9.207 -0.067 1
1 759 . 12 1 1 A 59 59 ASP HA H 59 4.550 4.337 0.213 1
1 762 . 12 1 1 A 59 59 ASP C C 59 179.000 178.362 0.638 1
1 763 . 12 1 1 A 59 59 ASP CA C 59 58.500 57.987 0.513 1
1 764 . 12 1 1 A 59 59 ASP CB C 59 40.400 40.258 0.142 1
1 765 . 12 1 1 A 59 59 ASP N N 59 121.800 126.811 -5.011 1
1 766 . 12 1 1 A 60 60 THR H H 60 9.060 7.575 1.485 1
1 767 . 12 1 1 A 60 60 THR HA H 60 4.000 3.967 0.033 1
1 772 . 12 1 1 A 60 60 THR C C 60 178.000 176.472 1.528 1
1 773 . 12 1 1 A 60 60 THR CA C 60 67.300 67.467 -0.167 1
1 774 . 12 1 1 A 60 60 THR CB C 60 67.300 68.095 -0.795 1
1 776 . 12 1 1 A 60 60 THR N N 60 114.800 116.934 -2.134 1
1 777 . 12 1 1 A 61 61 LEU H H 61 7.950 8.002 -0.052 1
1 778 . 12 1 1 A 61 61 LEU HA H 61 3.610 3.674 -0.064 1
1 788 . 12 1 1 A 61 61 LEU C C 61 178.900 178.851 0.049 1
1 789 . 12 1 1 A 61 61 LEU CA C 61 58.600 57.573 1.027 1
1 790 . 12 1 1 A 61 61 LEU CB C 61 39.500 41.578 -2.078 1
1 794 . 12 1 1 A 61 61 LEU N N 61 126.100 120.823 5.277 1
1 795 . 12 1 1 A 62 62 HIS H H 62 8.260 8.627 -0.367 1
1 796 . 12 1 1 A 62 62 HIS HA H 62 4.470 4.027 0.443 1
1 800 . 12 1 1 A 62 62 HIS C C 62 178.900 177.215 1.685 1
1 801 . 12 1 1 A 62 62 HIS CA C 62 58.600 60.267 -1.667 1
1 802 . 12 1 1 A 62 62 HIS CB C 62 29.500 29.552 -0.052 1
1 804 . 12 1 1 A 62 62 HIS N N 62 116.000 118.009 -2.009 1
1 805 . 12 1 1 A 63 63 LYS H H 63 7.790 7.999 -0.209 1
1 806 . 12 1 1 A 63 63 LYS HA H 63 3.960 3.782 0.178 1
1 815 . 12 1 1 A 63 63 LYS C C 63 177.900 178.524 -0.624 1
1 816 . 12 1 1 A 63 63 LYS CA C 63 59.200 59.451 -0.251 1
1 817 . 12 1 1 A 63 63 LYS CB C 63 32.400 32.081 0.319 1
1 821 . 12 1 1 A 63 63 LYS N N 63 119.100 119.076 0.024 1
1 822 . 12 1 1 A 64 64 SER H H 64 7.580 7.215 0.365 1
1 823 . 12 1 1 A 64 64 SER HA H 64 4.260 4.353 -0.093 1
1 826 . 12 1 1 A 64 64 SER C C 64 172.100 173.658 -1.558 1
1 827 . 12 1 1 A 64 64 SER CA C 64 59.300 58.476 0.824 1
1 828 . 12 1 1 A 64 64 SER CB C 64 63.600 63.373 0.227 1
1 829 . 12 1 1 A 64 64 SER N N 64 112.470 112.531 -0.061 1
1 830 . 12 1 1 A 65 65 ASN H H 65 7.760 7.636 0.124 1
1 831 . 12 1 1 A 65 65 ASN HA H 65 3.870 3.969 -0.099 1
1 836 . 12 1 1 A 65 65 ASN C C 65 171.100 173.405 -2.305 1
1 837 . 12 1 1 A 65 65 ASN CA C 65 54.300 54.302 -0.002 1
1 838 . 12 1 1 A 65 65 ASN CB C 65 37.500 36.548 0.952 1
1 840 . 12 1 1 A 65 65 ASN N N 65 117.600 116.585 1.015 1
1 842 . 12 1 1 A 66 66 ILE H H 66 6.820 6.820 0.000 1
1 843 . 12 1 1 A 66 66 ILE HA H 66 4.590 4.441 0.149 1
1 853 . 12 1 1 A 66 66 ILE C C 66 174.000 173.737 0.263 1
1 854 . 12 1 1 A 66 66 ILE CA C 66 58.200 59.764 -1.564 1
1 855 . 12 1 1 A 66 66 ILE CB C 66 40.200 40.176 0.024 1
1 859 . 12 1 1 A 66 66 ILE N N 66 113.900 117.977 -4.077 1
1 860 . 12 1 1 A 67 67 TYR H H 67 8.530 7.918 0.612 1
1 861 . 12 1 1 A 67 67 TYR HA H 67 5.050 5.026 0.024 1
1 868 . 12 1 1 A 67 67 TYR CA C 67 54.000 54.950 -0.950 1
1 869 . 12 1 1 A 67 67 TYR CB C 67 39.400 39.095 0.305 1
1 874 . 12 1 1 A 67 67 TYR N N 67 120.200 125.814 -5.614 1
1 875 . 12 1 1 A 68 68 PRO HA H 68 5.120 4.698 0.422 1
1 882 . 12 1 1 A 68 68 PRO C C 68 174.600 176.032 -1.432 1
1 883 . 12 1 1 A 68 68 PRO CA C 68 61.500 63.291 -1.791 1
1 884 . 12 1 1 A 68 68 PRO CB C 68 32.200 32.309 -0.109 1
1 887 . 12 1 1 A 69 69 PHE H H 69 8.870 9.285 -0.415 1
1 888 . 12 1 1 A 69 69 PHE HA H 69 6.330 5.204 1.126 1
1 896 . 12 1 1 A 69 69 PHE C C 69 173.000 174.371 -1.371 1
1 897 . 12 1 1 A 69 69 PHE CA C 69 56.300 56.943 -0.643 1
1 898 . 12 1 1 A 69 69 PHE CB C 69 42.900 42.440 0.460 1
1 903 . 12 1 1 A 69 69 PHE N N 69 118.400 124.874 -6.474 1
1 904 . 12 1 1 A 70 70 ILE H H 70 9.060 8.617 0.443 1
1 905 . 12 1 1 A 70 70 ILE HA H 70 4.840 4.892 -0.052 1
1 915 . 12 1 1 A 70 70 ILE C C 70 175.700 174.799 0.901 1
1 916 . 12 1 1 A 70 70 ILE CA C 70 61.900 60.439 1.461 1
1 917 . 12 1 1 A 70 70 ILE CB C 70 43.000 42.877 0.123 1
1 921 . 12 1 1 A 70 70 ILE N N 70 117.700 127.444 -9.744 1
1 922 . 12 1 1 A 71 71 LEU H H 71 9.320 8.963 0.357 1
1 923 . 12 1 1 A 71 71 LEU HA H 71 5.720 5.445 0.275 1
1 933 . 12 1 1 A 71 71 LEU C C 71 175.600 175.424 0.176 1
1 934 . 12 1 1 A 71 71 LEU CA C 71 52.400 54.348 -1.948 1
1 935 . 12 1 1 A 71 71 LEU CB C 71 43.700 43.732 -0.032 1
1 939 . 12 1 1 A 71 71 LEU N N 71 124.800 126.581 -1.781 1
1 940 . 12 1 1 A 72 72 TYR H H 72 9.250 9.119 0.131 1
1 941 . 12 1 1 A 72 72 TYR HA H 72 5.350 5.378 -0.028 1
1 948 . 12 1 1 A 72 72 TYR C C 72 174.100 174.863 -0.763 1
1 949 . 12 1 1 A 72 72 TYR CA C 72 57.300 56.903 0.397 1
1 950 . 12 1 1 A 72 72 TYR CB C 72 44.500 42.761 1.739 1
1 955 . 12 1 1 A 72 72 TYR N N 72 120.700 122.192 -1.492 1
1 956 . 12 1 1 A 73 73 TYR H H 73 9.250 8.790 0.460 1
1 957 . 12 1 1 A 73 73 TYR HA H 73 5.110 4.834 0.276 1
1 964 . 12 1 1 A 73 73 TYR C C 73 174.500 175.366 -0.866 1
1 965 . 12 1 1 A 73 73 TYR CA C 73 56.500 58.128 -1.628 1
1 966 . 12 1 1 A 73 73 TYR CB C 73 40.400 39.958 0.442 1
1 971 . 12 1 1 A 73 73 TYR N N 73 120.300 123.982 -3.682 1
1 972 . 12 1 1 A 74 74 GLN H H 74 9.310 8.719 0.591 1
1 973 . 12 1 1 A 74 74 GLN HA H 74 3.530 4.059 -0.529 1
1 980 . 12 1 1 A 74 74 GLN C C 74 175.400 175.282 0.118 1
1 981 . 12 1 1 A 74 74 GLN CA C 74 57.200 58.149 -0.949 1
1 982 . 12 1 1 A 74 74 GLN CB C 74 25.500 28.210 -2.710 1
1 985 . 12 1 1 A 74 74 GLN N N 74 126.000 126.620 -0.620 1
1 987 . 12 1 1 A 75 75 LYS H H 75 8.530 8.899 -0.369 1
1 988 . 12 1 1 A 75 75 LYS HA H 75 3.820 4.513 -0.693 1
1 997 . 12 1 1 A 75 75 LYS C C 75 175.500 176.341 -0.841 1
1 998 . 12 1 1 A 75 75 LYS CA C 75 57.300 54.832 2.468 1
1 999 . 12 1 1 A 75 75 LYS CB C 75 30.900 30.715 0.185 1
1 1003 . 12 1 1 A 75 75 LYS N N 75 113.600 118.731 -5.131 1
1 1004 . 12 1 1 A 76 76 GLN H H 76 8.550 8.450 0.100 1
1 1005 . 12 1 1 A 76 76 GLN HA H 76 4.470 4.141 0.329 1
1 1012 . 12 1 1 A 76 76 GLN C C 76 175.400 175.423 -0.023 1
1 1013 . 12 1 1 A 76 76 GLN CA C 76 54.700 57.837 -3.137 1
1 1014 . 12 1 1 A 76 76 GLN CB C 76 29.900 27.135 2.765 1
1 1017 . 12 1 1 A 76 76 GLN N N 76 122.200 118.808 3.392 1
1 1019 . 12 1 1 A 77 77 LEU H H 77 8.860 8.235 0.625 1
1 1020 . 12 1 1 A 77 77 LEU HA H 77 3.940 4.260 -0.320 1
1 1030 . 12 1 1 A 77 77 LEU C C 77 175.300 176.953 -1.653 1
1 1031 . 12 1 1 A 77 77 LEU CA C 77 56.800 54.060 2.740 1
1 1032 . 12 1 1 A 77 77 LEU CB C 77 41.800 42.874 -1.074 1
1 1036 . 12 1 1 A 77 77 LEU N N 77 128.900 120.756 8.144 1
1 1037 . 12 1 1 A 78 78 ILE H H 78 8.880 9.318 -0.438 1
1 1038 . 12 1 1 A 78 78 ILE HA H 78 4.810 4.322 0.488 1
1 1048 . 12 1 1 A 78 78 ILE C C 78 174.600 176.052 -1.452 1
1 1049 . 12 1 1 A 78 78 ILE CA C 78 58.300 62.371 -4.071 1
1 1050 . 12 1 1 A 78 78 ILE CB C 78 38.270 39.034 -0.764 1
1 1054 . 12 1 1 A 78 78 ILE N N 78 126.900 120.958 5.942 1
1 1055 . 12 1 1 A 79 79 ALA H H 79 7.940 7.644 0.296 1
1 1056 . 12 1 1 A 79 79 ALA HA H 79 5.390 4.793 0.597 1
1 1060 . 12 1 1 A 79 79 ALA C C 79 175.300 175.148 0.152 1
1 1061 . 12 1 1 A 79 79 ALA CA C 79 51.600 51.534 0.066 1
1 1062 . 12 1 1 A 79 79 ALA CB C 79 24.000 22.953 1.047 1
1 1063 . 12 1 1 A 79 79 ALA N N 79 115.000 118.893 -3.893 1
1 1064 . 12 1 1 A 80 80 ILE H H 80 8.580 8.283 0.297 1
1 1065 . 12 1 1 A 80 80 ILE HA H 80 4.840 5.190 -0.350 1
1 1075 . 12 1 1 A 80 80 ILE C C 80 175.000 175.479 -0.479 1
1 1076 . 12 1 1 A 80 80 ILE CA C 80 60.300 59.599 0.701 1
1 1077 . 12 1 1 A 80 80 ILE CB C 80 42.800 41.252 1.548 1
1 1081 . 12 1 1 A 80 80 ILE N N 80 117.900 120.352 -2.452 1
1 1082 . 12 1 1 A 81 81 GLY H H 81 8.200 8.616 -0.416 1
1 1083 . 12 1 1 A 81 81 GLY HA2 H 81 3.750 3.487 0.263 1
1 1084 . 12 1 1 A 81 81 GLY HA3 H 81 4.070 3.826 0.244 1
1 1085 . 12 1 1 A 81 81 GLY C C 81 169.100 171.681 -2.581 1
1 1086 . 12 1 1 A 81 81 GLY CA C 81 46.600 45.222 1.378 1
1 1087 . 12 1 1 A 81 81 GLY N N 81 116.400 112.985 3.415 1
1 1088 . 12 1 1 A 82 82 PHE H H 82 8.210 7.668 0.542 1
1 1089 . 12 1 1 A 82 82 PHE HA H 82 5.340 5.146 0.194 1
1 1094 . 12 1 1 A 82 82 PHE C C 82 172.400 174.927 -2.527 1
1 1095 . 12 1 1 A 82 82 PHE CA C 82 56.300 57.084 -0.784 1
1 1096 . 12 1 1 A 82 82 PHE CB C 82 40.100 41.955 -1.855 1
1 1099 . 12 1 1 A 82 82 PHE N N 82 114.500 121.806 -7.306 1
1 1100 . 12 1 1 A 83 83 ILE H H 83 8.490 8.776 -0.286 1
1 1101 . 12 1 1 A 83 83 ILE HA H 83 4.740 4.702 0.038 1
1 1111 . 12 1 1 A 83 83 ILE C C 83 175.200 175.363 -0.163 1
1 1112 . 12 1 1 A 83 83 ILE CA C 83 60.400 60.359 0.041 1
1 1113 . 12 1 1 A 83 83 ILE CB C 83 39.500 39.355 0.145 1
1 1117 . 12 1 1 A 83 83 ILE N N 83 123.400 122.662 0.738 1
1 1118 . 12 1 1 A 84 84 ASP H H 84 8.550 8.483 0.067 1
1 1119 . 12 1 1 A 84 84 ASP HA H 84 5.170 4.872 0.298 1
1 1122 . 12 1 1 A 84 84 ASP C C 84 178.600 177.516 1.084 1
1 1123 . 12 1 1 A 84 84 ASP CA C 84 52.200 53.163 -0.963 1
1 1124 . 12 1 1 A 84 84 ASP CB C 84 42.400 42.125 0.275 1
1 1125 . 12 1 1 A 84 84 ASP N N 84 126.900 127.747 -0.847 1
1 1126 . 12 1 1 A 85 85 GLU H H 85 9.250 8.593 0.657 1
1 1127 . 12 1 1 A 85 85 GLU HA H 85 4.350 4.040 0.310 1
1 1132 . 12 1 1 A 85 85 GLU C C 85 176.800 177.743 -0.943 1
1 1133 . 12 1 1 A 85 85 GLU CA C 85 58.400 59.567 -1.167 1
1 1134 . 12 1 1 A 85 85 GLU CB C 85 28.700 29.169 -0.469 1
1 1136 . 12 1 1 A 85 85 GLU N N 85 118.000 121.020 -3.020 1
1 1137 . 12 1 1 A 86 86 ASN H H 86 8.280 7.793 0.487 1
1 1138 . 12 1 1 A 86 86 ASN HA H 86 4.760 4.874 -0.114 1
1 1143 . 12 1 1 A 86 86 ASN C C 86 174.600 175.085 -0.485 1
1 1144 . 12 1 1 A 86 86 ASN CA C 86 52.800 52.565 0.235 1
1 1145 . 12 1 1 A 86 86 ASN CB C 86 38.900 38.603 0.297 1
1 1147 . 12 1 1 A 86 86 ASN N N 86 118.300 115.912 2.388 1
1 1149 . 12 1 1 A 87 87 HIS H H 87 8.570 7.908 0.662 1
1 1150 . 12 1 1 A 87 87 HIS HA H 87 3.940 4.159 -0.219 1
1 1154 . 12 1 1 A 87 87 HIS C C 87 173.600 174.555 -0.955 1
1 1155 . 12 1 1 A 87 87 HIS CA C 87 57.000 57.181 -0.181 1
1 1156 . 12 1 1 A 87 87 HIS CB C 87 26.700 29.096 -2.396 1
1 1158 . 12 1 1 A 87 87 HIS N N 87 114.000 117.749 -3.749 1
1 1159 . 12 1 1 A 88 88 ASP H H 88 8.210 7.861 0.349 1
1 1160 . 12 1 1 A 88 88 ASP HA H 88 4.840 4.550 0.290 1
1 1163 . 12 1 1 A 88 88 ASP C C 88 174.800 175.614 -0.814 1
1 1164 . 12 1 1 A 88 88 ASP CA C 88 53.900 53.934 -0.034 1
1 1165 . 12 1 1 A 88 88 ASP CB C 88 41.500 40.993 0.507 1
1 1166 . 12 1 1 A 88 88 ASP N N 88 120.300 121.624 -1.324 1
1 1167 . 12 1 1 A 89 89 MET H H 89 8.550 8.405 0.145 1
1 1168 . 12 1 1 A 89 89 MET HA H 89 4.450 4.660 -0.210 1
1 1176 . 12 1 1 A 89 89 MET C C 89 173.400 174.841 -1.441 1
1 1177 . 12 1 1 A 89 89 MET CA C 89 55.800 53.580 2.220 1
1 1178 . 12 1 1 A 89 89 MET CB C 89 34.700 32.039 2.661 1
1 1181 . 12 1 1 A 89 89 MET N N 89 120.400 125.819 -5.419 1
1 1182 . 12 1 1 A 90 90 ASP H H 90 8.420 8.567 -0.147 1
1 1183 . 12 1 1 A 90 90 ASP HA H 90 4.580 4.933 -0.353 1
1 1186 . 12 1 1 A 90 90 ASP C C 90 174.600 174.555 0.045 1
1 1187 . 12 1 1 A 90 90 ASP CA C 90 52.300 53.628 -1.328 1
1 1188 . 12 1 1 A 90 90 ASP CB C 90 41.800 41.569 0.231 1
1 1189 . 12 1 1 A 90 90 ASP N N 90 126.900 124.158 2.742 1
1 1190 . 12 1 1 A 91 91 PHE H H 91 8.350 8.782 -0.432 1
1 1191 . 12 1 1 A 91 91 PHE HA H 91 4.780 4.399 0.381 1
1 1199 . 12 1 1 A 91 91 PHE C C 91 175.600 175.736 -0.136 1
1 1200 . 12 1 1 A 91 91 PHE CA C 91 58.200 57.874 0.326 1
1 1201 . 12 1 1 A 91 91 PHE CB C 91 41.400 39.327 2.073 1
1 1207 . 12 1 1 A 91 91 PHE N N 91 118.600 123.887 -5.287 1
1 1208 . 12 1 1 A 92 92 LEU H H 92 9.060 8.435 0.625 1
1 1209 . 12 1 1 A 92 92 LEU HA H 92 4.330 4.474 -0.144 1
1 1219 . 12 1 1 A 92 92 LEU C C 92 175.700 175.538 0.162 1
1 1220 . 12 1 1 A 92 92 LEU CA C 92 55.200 56.383 -1.183 1
1 1221 . 12 1 1 A 92 92 LEU CB C 92 43.500 44.546 -1.046 1
1 1225 . 12 1 1 A 92 92 LEU N N 92 121.100 126.347 -5.247 1
1 1226 . 12 1 1 A 93 93 TYR H H 93 7.970 7.593 0.377 1
1 1227 . 12 1 1 A 93 93 TYR HA H 93 4.780 4.867 -0.087 1
1 1234 . 12 1 1 A 93 93 TYR C C 93 172.800 173.120 -0.320 1
1 1235 . 12 1 1 A 93 93 TYR CA C 93 57.600 57.583 0.017 1
1 1236 . 12 1 1 A 93 93 TYR CB C 93 42.500 41.425 1.075 1
1 1241 . 12 1 1 A 93 93 TYR N N 93 118.600 118.138 0.462 1
1 1242 . 12 1 1 A 94 94 LEU H H 94 8.220 8.725 -0.505 1
1 1243 . 12 1 1 A 94 94 LEU HA H 94 5.060 5.189 -0.129 1
1 1253 . 12 1 1 A 94 94 LEU C C 94 171.900 174.239 -2.339 1
1 1254 . 12 1 1 A 94 94 LEU CA C 94 55.100 53.005 2.095 1
1 1255 . 12 1 1 A 94 94 LEU CB C 94 44.800 45.231 -0.431 1
1 1259 . 12 1 1 A 94 94 LEU N N 94 128.600 130.611 -2.011 1
1 1260 . 12 1 1 A 95 95 HIS H H 95 9.720 8.413 1.307 1
1 1261 . 12 1 1 A 95 95 HIS HA H 95 4.570 5.042 -0.472 1
1 1266 . 12 1 1 A 95 95 HIS C C 95 173.100 172.519 0.581 1
1 1267 . 12 1 1 A 95 95 HIS CA C 95 55.500 54.738 0.762 1
1 1268 . 12 1 1 A 95 95 HIS CB C 95 35.900 33.261 2.639 1
1 1271 . 12 1 1 A 95 95 HIS N N 95 133.000 125.495 7.505 1
1 1272 . 12 1 1 A 96 96 ASN H H 96 7.670 8.372 -0.702 1
1 1273 . 12 1 1 A 96 96 ASN HA H 96 4.930 4.770 0.160 1
1 1278 . 12 1 1 A 96 96 ASN C C 96 176.100 176.672 -0.572 1
1 1279 . 12 1 1 A 96 96 ASN CA C 96 51.000 51.645 -0.645 1
1 1280 . 12 1 1 A 96 96 ASN CB C 96 38.500 40.388 -1.888 1
1 1281 . 12 1 1 A 96 96 ASN N N 96 118.600 125.719 -7.119 1
1 1283 . 12 1 1 A 97 97 THR H H 97 10.580 8.548 2.032 1
1 1284 . 12 1 1 A 97 97 THR HA H 97 4.090 4.094 -0.004 1
1 1289 . 12 1 1 A 97 97 THR C C 97 174.600 174.847 -0.247 1
1 1290 . 12 1 1 A 97 97 THR CA C 97 67.000 64.699 2.301 1
1 1291 . 12 1 1 A 97 97 THR CB C 97 68.300 69.033 -0.733 1
1 1293 . 12 1 1 A 97 97 THR N N 97 116.300 115.537 0.763 1
1 1294 . 12 1 1 A 98 98 VAL H H 98 8.440 7.654 0.786 1
1 1295 . 12 1 1 A 98 98 VAL HA H 98 4.180 4.354 -0.174 1
1 1303 . 12 1 1 A 98 98 VAL C C 98 174.800 174.653 0.147 1
1 1304 . 12 1 1 A 98 98 VAL CA C 98 64.400 61.267 3.133 1
1 1305 . 12 1 1 A 98 98 VAL CB C 98 33.100 32.638 0.462 1
1 1308 . 12 1 1 A 98 98 VAL N N 98 123.900 120.192 3.708 1
1 1309 . 12 1 1 A 99 99 MET H H 99 8.590 7.586 1.004 1
1 1310 . 12 1 1 A 99 99 MET HA H 99 4.720 4.719 0.001 1
1 1318 . 12 1 1 A 99 99 MET CA C 99 52.400 53.218 -0.818 1
1 1319 . 12 1 1 A 99 99 MET CB C 99 34.100 32.876 1.224 1
1 1322 . 12 1 1 A 99 99 MET N N 99 118.700 123.327 -4.627 1
1 1323 . 12 1 1 A 100 100 PRO HA H 100 4.210 4.296 -0.086 1
1 1330 . 12 1 1 A 100 100 PRO C C 100 175.900 176.031 -0.131 1
1 1331 . 12 1 1 A 100 100 PRO CA C 100 62.100 62.995 -0.895 1
1 1332 . 12 1 1 A 100 100 PRO CB C 100 31.000 32.093 -1.093 1
1 1335 . 12 1 1 A 101 101 LEU H H 101 9.010 8.475 0.535 1
1 1336 . 12 1 1 A 101 101 LEU HA H 101 4.310 4.361 -0.051 1
1 1346 . 12 1 1 A 101 101 LEU C C 101 176.900 176.927 -0.027 1
1 1347 . 12 1 1 A 101 101 LEU CA C 101 55.000 55.672 -0.672 1
1 1348 . 12 1 1 A 101 101 LEU CB C 101 42.800 42.760 0.040 1
1 1352 . 12 1 1 A 101 101 LEU N N 101 124.000 120.107 3.893 1
1 1353 . 12 1 1 A 102 102 LEU H H 102 7.620 8.033 -0.413 1
1 1354 . 12 1 1 A 102 102 LEU HA H 102 4.360 4.505 -0.145 1
1 1364 . 12 1 1 A 102 102 LEU C C 102 174.800 175.896 -1.096 1
1 1365 . 12 1 1 A 102 102 LEU CA C 102 54.900 54.048 0.852 1
1 1366 . 12 1 1 A 102 102 LEU CB C 102 45.300 41.276 4.024 1
1 1370 . 12 1 1 A 102 102 LEU N N 102 119.000 119.785 -0.785 1
1 1371 . 12 1 1 A 103 103 ASP H H 103 9.120 7.614 1.506 1
1 1372 . 12 1 1 A 103 103 ASP HA H 103 5.100 4.494 0.606 1
1 1375 . 12 1 1 A 103 103 ASP C C 103 174.500 174.737 -0.237 1
1 1376 . 12 1 1 A 103 103 ASP CA C 103 54.900 53.174 1.726 1
1 1377 . 12 1 1 A 103 103 ASP CB C 103 41.000 40.521 0.479 1
1 1378 . 12 1 1 A 103 103 ASP N N 103 120.700 123.191 -2.491 1
1 1379 . 12 1 1 A 104 104 GLN H H 104 8.990 8.154 0.836 1
1 1380 . 12 1 1 A 104 104 GLN HA H 104 4.710 4.977 -0.267 1
1 1387 . 12 1 1 A 104 104 GLN C C 104 176.100 176.126 -0.026 1
1 1388 . 12 1 1 A 104 104 GLN CA C 104 54.100 54.550 -0.450 1
1 1389 . 12 1 1 A 104 104 GLN CB C 104 28.500 30.656 -2.156 1
1 1392 . 12 1 1 A 104 104 GLN N N 104 125.400 125.304 0.096 1
1 1394 . 12 1 1 A 105 105 ARG H H 105 8.380 8.912 -0.532 1
1 1395 . 12 1 1 A 105 105 ARG HA H 105 3.510 3.957 -0.447 1
1 1402 . 12 1 1 A 105 105 ARG C C 105 177.500 178.017 -0.517 1
1 1403 . 12 1 1 A 105 105 ARG CA C 105 60.200 59.667 0.533 1
1 1404 . 12 1 1 A 105 105 ARG CB C 105 29.400 29.585 -0.185 1
1 1407 . 12 1 1 A 105 105 ARG N N 105 117.700 126.001 -8.301 1
1 1408 . 12 1 1 A 106 106 TYR H H 106 7.800 8.076 -0.276 1
1 1409 . 12 1 1 A 106 106 TYR HA H 106 4.360 4.417 -0.057 1
1 1416 . 12 1 1 A 106 106 TYR C C 106 176.800 178.152 -1.352 1
1 1417 . 12 1 1 A 106 106 TYR CA C 106 58.600 60.362 -1.762 1
1 1418 . 12 1 1 A 106 106 TYR CB C 106 36.000 38.399 -2.399 1
1 1423 . 12 1 1 A 106 106 TYR N N 106 118.100 119.471 -1.371 1
1 1424 . 12 1 1 A 107 107 LEU H H 107 7.170 8.187 -1.017 1
1 1425 . 12 1 1 A 107 107 LEU HA H 107 3.970 4.137 -0.167 1
1 1435 . 12 1 1 A 107 107 LEU C C 107 178.300 178.277 0.023 1
1 1436 . 12 1 1 A 107 107 LEU CA C 107 56.600 58.229 -1.629 1
1 1437 . 12 1 1 A 107 107 LEU CB C 107 41.800 41.638 0.162 1
1 1441 . 12 1 1 A 107 107 LEU N N 107 121.900 121.327 0.573 1
1 1442 . 12 1 1 A 108 108 LEU H H 108 7.680 7.703 -0.023 1
1 1443 . 12 1 1 A 108 108 LEU HA H 108 4.070 3.939 0.131 1
1 1453 . 12 1 1 A 108 108 LEU C C 108 177.500 178.416 -0.916 1
1 1454 . 12 1 1 A 108 108 LEU CA C 108 55.400 58.187 -2.787 1
1 1455 . 12 1 1 A 108 108 LEU CB C 108 41.500 42.085 -0.585 1
1 1459 . 12 1 1 A 108 108 LEU N N 108 115.400 120.063 -4.663 1
1 1460 . 12 1 1 A 109 109 THR H H 109 7.510 8.067 -0.557 1
1 1461 . 12 1 1 A 109 109 THR HA H 109 4.310 4.439 -0.129 1
1 1466 . 12 1 1 A 109 109 THR C C 109 175.300 174.920 0.380 1
1 1467 . 12 1 1 A 109 109 THR CA C 109 61.600 62.051 -0.451 1
1 1468 . 12 1 1 A 109 109 THR CB C 109 69.500 67.880 1.620 1
1 1470 . 12 1 1 A 109 109 THR N N 109 108.800 111.901 -3.101 1
1 1471 . 12 1 1 A 110 110 GLY H H 110 8.010 8.004 0.006 1
1 1472 . 12 1 1 A 110 110 GLY HA2 H 110 3.950 3.915 0.035 1
1 1473 . 12 1 1 A 110 110 GLY HA3 H 110 4.030 3.932 0.098 1
1 1474 . 12 1 1 A 110 110 GLY C C 110 174.500 175.780 -1.280 1
1 1475 . 12 1 1 A 110 110 GLY CA C 110 45.400 46.339 -0.939 1
1 1476 . 12 1 1 A 110 110 GLY N N 110 110.100 109.879 0.221 1
1 1477 . 12 1 1 A 111 111 GLY H H 111 8.310 8.834 -0.524 1
1 1478 . 12 1 1 A 111 111 GLY HA2 H 111 3.930 4.074 -0.144 1
1 1479 . 12 1 1 A 111 111 GLY HA3 H 111 3.930 4.095 -0.165 1
1 1480 . 12 1 1 A 111 111 GLY C C 111 173.700 174.711 -1.011 1
1 1481 . 12 1 1 A 111 111 GLY CA C 111 45.400 46.548 -1.148 1
1 1482 . 12 1 1 A 111 111 GLY N N 111 108.300 112.326 -4.026 1
1 1483 . 12 1 1 A 112 112 GLN H H 112 8.280 8.201 0.079 1
1 1484 . 12 1 1 A 112 112 GLN HA H 112 4.270 4.582 -0.312 1
1 1491 . 12 1 1 A 112 112 GLN C C 112 175.700 175.541 0.159 1
1 1492 . 12 1 1 A 112 112 GLN CA C 112 55.600 54.715 0.885 1
1 1493 . 12 1 1 A 112 112 GLN CB C 112 29.200 26.862 2.338 1
1 1496 . 12 1 1 A 112 112 GLN N N 112 119.200 119.371 -0.171 1
1 1498 . 12 1 1 A 113 113 LEU H H 113 8.260 8.611 -0.351 1
1 1499 . 12 1 1 A 113 113 LEU HA H 113 4.180 4.098 0.082 1
1 1509 . 12 1 1 A 113 113 LEU C C 113 177.000 176.419 0.581 1
1 1510 . 12 1 1 A 113 113 LEU CA C 113 55.100 58.047 -2.947 1
1 1511 . 12 1 1 A 113 113 LEU CB C 113 42.100 41.765 0.335 1
1 1515 . 12 1 1 A 113 113 LEU N N 113 122.800 125.618 -2.818 1
1 1516 . 12 1 1 A 114 114 GLU H H 114 8.290 8.035 0.255 1
1 1517 . 12 1 1 A 114 114 GLU HA H 114 4.140 4.053 0.087 1
1 1522 . 12 1 1 A 114 114 GLU CA C 114 56.300 57.223 -0.923 1
1 1523 . 12 1 1 A 114 114 GLU CB C 114 30.200 28.358 1.842 1
1 1 . 13 1 1 A 2 2 THR HA H 2 4.300 4.037 0.263 1
1 6 . 13 1 1 A 2 2 THR C C 2 174.800 174.374 0.426 1
1 7 . 13 1 1 A 2 2 THR CA C 2 61.100 62.994 -1.894 1
1 8 . 13 1 1 A 2 2 THR CB C 2 70.400 66.621 3.779 1
1 10 . 13 1 1 A 3 3 LEU H H 3 8.760 7.768 0.992 1
1 11 . 13 1 1 A 3 3 LEU HA H 3 4.110 3.873 0.237 1
1 21 . 13 1 1 A 3 3 LEU C C 3 178.300 178.853 -0.553 1
1 22 . 13 1 1 A 3 3 LEU CA C 3 57.800 57.939 -0.139 1
1 23 . 13 1 1 A 3 3 LEU CB C 3 41.600 41.241 0.359 1
1 27 . 13 1 1 A 3 3 LEU N N 3 123.600 122.031 1.569 1
1 28 . 13 1 1 A 4 4 GLU H H 4 8.740 8.165 0.575 1
1 29 . 13 1 1 A 4 4 GLU HA H 4 3.670 3.985 -0.315 1
1 34 . 13 1 1 A 4 4 GLU C C 4 177.900 179.075 -1.175 1
1 35 . 13 1 1 A 4 4 GLU CA C 4 60.000 59.303 0.697 1
1 36 . 13 1 1 A 4 4 GLU CB C 4 29.200 29.474 -0.274 1
1 38 . 13 1 1 A 4 4 GLU N N 4 116.500 120.676 -4.176 1
1 39 . 13 1 1 A 5 5 LEU H H 5 7.340 8.294 -0.954 1
1 40 . 13 1 1 A 5 5 LEU HA H 5 3.900 3.835 0.065 1
1 50 . 13 1 1 A 5 5 LEU C C 5 178.900 178.838 0.062 1
1 51 . 13 1 1 A 5 5 LEU CA C 5 56.900 57.879 -0.979 1
1 52 . 13 1 1 A 5 5 LEU CB C 5 41.200 41.049 0.151 1
1 56 . 13 1 1 A 5 5 LEU N N 5 120.500 120.217 0.283 1
1 57 . 13 1 1 A 6 6 GLN H H 6 8.350 8.350 0.000 1
1 58 . 13 1 1 A 6 6 GLN HA H 6 3.970 3.883 0.087 1
1 63 . 13 1 1 A 6 6 GLN C C 6 179.700 177.806 1.894 1
1 64 . 13 1 1 A 6 6 GLN CA C 6 59.100 58.484 0.616 1
1 65 . 13 1 1 A 6 6 GLN CB C 6 29.100 28.145 0.955 1
1 67 . 13 1 1 A 6 6 GLN N N 6 120.800 118.329 2.471 1
1 68 . 13 1 1 A 7 7 LEU H H 7 8.620 8.359 0.261 1
1 69 . 13 1 1 A 7 7 LEU HA H 7 4.010 4.080 -0.070 1
1 79 . 13 1 1 A 7 7 LEU C C 7 176.900 178.649 -1.749 1
1 80 . 13 1 1 A 7 7 LEU CA C 7 57.800 57.899 -0.099 1
1 81 . 13 1 1 A 7 7 LEU CB C 7 41.700 41.774 -0.074 1
1 85 . 13 1 1 A 7 7 LEU N N 7 121.000 121.126 -0.126 1
1 86 . 13 1 1 A 8 8 LYS H H 8 7.750 7.565 0.185 1
1 87 . 13 1 1 A 8 8 LYS HA H 8 3.570 3.772 -0.202 1
1 96 . 13 1 1 A 8 8 LYS C C 8 179.400 179.653 -0.253 1
1 97 . 13 1 1 A 8 8 LYS CA C 8 59.000 58.739 0.261 1
1 98 . 13 1 1 A 8 8 LYS CB C 8 32.400 31.898 0.502 1
1 102 . 13 1 1 A 8 8 LYS N N 8 119.700 118.600 1.100 1
1 103 . 13 1 1 A 9 9 HIS H H 9 8.520 7.652 0.868 1
1 104 . 13 1 1 A 9 9 HIS HA H 9 4.050 4.478 -0.428 1
1 107 . 13 1 1 A 9 9 HIS C C 9 176.500 177.630 -1.130 1
1 108 . 13 1 1 A 9 9 HIS CA C 9 59.400 59.795 -0.395 1
1 109 . 13 1 1 A 9 9 HIS CB C 9 29.900 29.962 -0.062 1
1 110 . 13 1 1 A 9 9 HIS N N 9 120.500 119.242 1.258 1
1 111 . 13 1 1 A 10 10 TYR H H 10 7.990 8.292 -0.302 1
1 112 . 13 1 1 A 10 10 TYR HA H 10 4.160 4.083 0.077 1
1 119 . 13 1 1 A 10 10 TYR C C 10 177.400 176.980 0.420 1
1 120 . 13 1 1 A 10 10 TYR CA C 10 61.800 61.465 0.335 1
1 121 . 13 1 1 A 10 10 TYR CB C 10 39.500 38.577 0.923 1
1 126 . 13 1 1 A 10 10 TYR N N 10 119.200 119.884 -0.684 1
1 127 . 13 1 1 A 11 11 ILE H H 11 8.710 8.054 0.656 1
1 128 . 13 1 1 A 11 11 ILE HA H 11 3.540 3.390 0.150 1
1 138 . 13 1 1 A 11 11 ILE CA C 11 61.600 64.432 -2.832 1
1 139 . 13 1 1 A 11 11 ILE CB C 11 36.200 37.525 -1.325 1
1 143 . 13 1 1 A 11 11 ILE N N 11 118.900 120.666 -1.766 1
1 144 . 13 1 1 A 12 12 THR HA H 12 3.840 4.112 -0.272 1
1 149 . 13 1 1 A 12 12 THR C C 12 176.900 177.398 -0.498 1
1 150 . 13 1 1 A 12 12 THR CA C 12 66.400 65.829 0.571 1
1 151 . 13 1 1 A 12 12 THR CB C 12 68.300 68.479 -0.179 1
1 153 . 13 1 1 A 13 13 ASN H H 13 7.440 8.349 -0.909 1
1 154 . 13 1 1 A 13 13 ASN HA H 13 4.420 4.457 -0.037 1
1 159 . 13 1 1 A 13 13 ASN C C 13 176.700 177.827 -1.127 1
1 160 . 13 1 1 A 13 13 ASN CA C 13 55.900 56.152 -0.252 1
1 161 . 13 1 1 A 13 13 ASN CB C 13 38.600 38.106 0.494 1
1 163 . 13 1 1 A 13 13 ASN N N 13 118.300 121.524 -3.224 1
1 165 . 13 1 1 A 14 14 LEU H H 14 7.890 7.606 0.284 1
1 166 . 13 1 1 A 14 14 LEU HA H 14 3.660 3.718 -0.058 1
1 176 . 13 1 1 A 14 14 LEU C C 14 177.900 177.760 0.140 1
1 177 . 13 1 1 A 14 14 LEU CA C 14 57.600 57.677 -0.077 1
1 178 . 13 1 1 A 14 14 LEU CB C 14 42.600 41.242 1.358 1
1 182 . 13 1 1 A 14 14 LEU N N 14 122.100 121.807 0.293 1
1 183 . 13 1 1 A 15 15 PHE H H 15 7.670 7.728 -0.058 1
1 184 . 13 1 1 A 15 15 PHE HA H 15 4.490 4.541 -0.051 1
1 191 . 13 1 1 A 15 15 PHE C C 15 173.800 174.539 -0.739 1
1 192 . 13 1 1 A 15 15 PHE CA C 15 57.900 57.166 0.734 1
1 193 . 13 1 1 A 15 15 PHE CB C 15 38.900 39.638 -0.738 1
1 198 . 13 1 1 A 15 15 PHE N N 15 111.800 113.885 -2.085 1
1 199 . 13 1 1 A 16 16 ASN H H 16 7.450 8.010 -0.560 1
1 200 . 13 1 1 A 16 16 ASN HA H 16 4.420 4.229 0.191 1
1 205 . 13 1 1 A 16 16 ASN C C 16 174.200 174.313 -0.113 1
1 206 . 13 1 1 A 16 16 ASN CA C 16 54.100 54.463 -0.363 1
1 207 . 13 1 1 A 16 16 ASN CB C 16 36.500 36.735 -0.235 1
1 209 . 13 1 1 A 16 16 ASN N N 16 118.500 114.161 4.339 1
1 211 . 13 1 1 A 17 17 LEU H H 17 8.410 8.058 0.352 1
1 212 . 13 1 1 A 17 17 LEU HA H 17 4.630 4.500 0.130 1
1 222 . 13 1 1 A 17 17 LEU CA C 17 52.300 52.682 -0.382 1
1 223 . 13 1 1 A 17 17 LEU CB C 17 41.000 41.391 -0.391 1
1 227 . 13 1 1 A 17 17 LEU N N 17 118.700 119.986 -1.286 1
1 228 . 13 1 1 A 18 18 PRO HA H 18 4.380 4.674 -0.294 1
1 235 . 13 1 1 A 18 18 PRO C C 18 178.600 176.402 2.198 1
1 236 . 13 1 1 A 18 18 PRO CA C 18 63.100 62.877 0.223 1
1 237 . 13 1 1 A 18 18 PRO CB C 18 31.800 32.042 -0.242 1
1 240 . 13 1 1 A 19 19 ARG H H 19 8.650 8.217 0.433 1
1 241 . 13 1 1 A 19 19 ARG HA H 19 3.820 4.256 -0.436 1
1 248 . 13 1 1 A 19 19 ARG C C 19 176.500 175.913 0.587 1
1 249 . 13 1 1 A 19 19 ARG CA C 19 58.100 56.327 1.773 1
1 250 . 13 1 1 A 19 19 ARG CB C 19 30.300 30.465 -0.165 1
1 253 . 13 1 1 A 19 19 ARG N N 19 124.600 121.481 3.119 1
1 254 . 13 1 1 A 20 20 ASP H H 20 8.390 8.048 0.342 1
1 255 . 13 1 1 A 20 20 ASP HA H 20 4.550 4.456 0.094 1
1 258 . 13 1 1 A 20 20 ASP C C 20 175.700 175.983 -0.283 1
1 259 . 13 1 1 A 20 20 ASP CA C 20 53.000 53.991 -0.991 1
1 260 . 13 1 1 A 20 20 ASP CB C 20 40.400 39.691 0.709 1
1 261 . 13 1 1 A 20 20 ASP N N 20 114.300 119.009 -4.709 1
1 262 . 13 1 1 A 21 21 GLU H H 21 6.780 7.457 -0.677 1
1 263 . 13 1 1 A 21 21 GLU HA H 21 4.150 4.298 -0.148 1
1 268 . 13 1 1 A 21 21 GLU C C 21 175.400 175.512 -0.112 1
1 269 . 13 1 1 A 21 21 GLU CA C 21 56.200 55.755 0.445 1
1 270 . 13 1 1 A 21 21 GLU CB C 21 31.600 30.012 1.588 1
1 272 . 13 1 1 A 21 21 GLU N N 21 121.600 119.981 1.619 1
1 273 . 13 1 1 A 22 22 LYS H H 22 8.860 8.376 0.484 1
1 274 . 13 1 1 A 22 22 LYS HA H 22 4.160 4.323 -0.163 1
1 283 . 13 1 1 A 22 22 LYS C C 22 176.100 176.277 -0.177 1
1 284 . 13 1 1 A 22 22 LYS CA C 22 57.200 55.883 1.317 1
1 285 . 13 1 1 A 22 22 LYS CB C 22 33.000 33.542 -0.542 1
1 289 . 13 1 1 A 22 22 LYS N N 22 128.900 121.858 7.042 1
1 290 . 13 1 1 A 23 23 TRP H H 23 8.750 8.994 -0.244 1
1 291 . 13 1 1 A 23 23 TRP HA H 23 5.400 5.157 0.243 1
1 300 . 13 1 1 A 23 23 TRP C C 23 176.500 175.793 0.707 1
1 301 . 13 1 1 A 23 23 TRP CA C 23 54.600 56.228 -1.628 1
1 302 . 13 1 1 A 23 23 TRP CB C 23 31.100 31.959 -0.859 1
1 308 . 13 1 1 A 23 23 TRP N N 23 126.100 123.749 2.351 1
1 310 . 13 1 1 A 24 24 GLU H H 24 9.040 8.512 0.528 1
1 311 . 13 1 1 A 24 24 GLU HA H 24 4.590 4.863 -0.273 1
1 316 . 13 1 1 A 24 24 GLU C C 24 174.100 176.174 -2.074 1
1 317 . 13 1 1 A 24 24 GLU CA C 24 54.200 55.249 -1.049 1
1 318 . 13 1 1 A 24 24 GLU CB C 24 31.600 31.411 0.189 1
1 320 . 13 1 1 A 24 24 GLU N N 24 122.700 121.765 0.935 1
1 321 . 13 1 1 A 25 25 CYS H H 25 8.740 8.831 -0.091 1
1 322 . 13 1 1 A 25 25 CYS HA H 25 4.870 4.441 0.429 1
1 325 . 13 1 1 A 25 25 CYS C C 25 174.400 174.030 0.370 1
1 326 . 13 1 1 A 25 25 CYS CA C 25 57.200 58.627 -1.427 1
1 327 . 13 1 1 A 25 25 CYS CB C 25 30.200 28.776 1.424 1
1 328 . 13 1 1 A 25 25 CYS N N 25 119.900 125.438 -5.538 1
1 329 . 13 1 1 A 26 26 GLU H H 26 9.220 8.260 0.960 1
1 330 . 13 1 1 A 26 26 GLU HA H 26 4.740 4.834 -0.094 1
1 335 . 13 1 1 A 26 26 GLU C C 26 175.000 174.439 0.561 1
1 336 . 13 1 1 A 26 26 GLU CA C 26 55.100 55.120 -0.020 1
1 337 . 13 1 1 A 26 26 GLU CB C 26 31.700 32.605 -0.905 1
1 339 . 13 1 1 A 26 26 GLU N N 26 131.200 124.000 7.200 1
1 340 . 13 1 1 A 27 27 SER H H 27 8.900 8.881 0.019 1
1 341 . 13 1 1 A 27 27 SER HA H 27 5.750 4.847 0.903 1
1 344 . 13 1 1 A 27 27 SER C C 27 173.600 174.067 -0.467 1
1 345 . 13 1 1 A 27 27 SER CA C 27 56.700 56.735 -0.035 1
1 346 . 13 1 1 A 27 27 SER CB C 27 64.200 63.947 0.253 1
1 347 . 13 1 1 A 27 27 SER N N 27 125.100 123.269 1.831 1
1 348 . 13 1 1 A 28 28 ILE H H 28 8.540 8.957 -0.417 1
1 349 . 13 1 1 A 28 28 ILE HA H 28 4.680 5.155 -0.475 1
1 359 . 13 1 1 A 28 28 ILE C C 28 174.100 174.135 -0.035 1
1 360 . 13 1 1 A 28 28 ILE CA C 28 59.800 58.556 1.244 1
1 361 . 13 1 1 A 28 28 ILE CB C 28 42.700 42.118 0.582 1
1 365 . 13 1 1 A 28 28 ILE N N 28 123.200 122.700 0.500 1
1 366 . 13 1 1 A 29 29 GLU H H 29 8.430 8.518 -0.088 1
1 367 . 13 1 1 A 29 29 GLU HA H 29 5.430 4.906 0.524 1
1 372 . 13 1 1 A 29 29 GLU C C 29 176.000 175.574 0.426 1
1 373 . 13 1 1 A 29 29 GLU CA C 29 55.600 55.536 0.064 1
1 374 . 13 1 1 A 29 29 GLU CB C 29 31.200 31.259 -0.059 1
1 376 . 13 1 1 A 29 29 GLU N N 29 123.900 122.039 1.861 1
1 377 . 13 1 1 A 30 30 GLU H H 30 8.850 8.466 0.384 1
1 378 . 13 1 1 A 30 30 GLU HA H 30 4.730 4.799 -0.069 1
1 383 . 13 1 1 A 30 30 GLU C C 30 174.300 174.865 -0.565 1
1 384 . 13 1 1 A 30 30 GLU CA C 30 54.700 55.105 -0.405 1
1 385 . 13 1 1 A 30 30 GLU CB C 30 34.400 33.755 0.645 1
1 387 . 13 1 1 A 30 30 GLU N N 30 121.900 123.919 -2.019 1
1 388 . 13 1 1 A 31 31 VAL H H 31 9.260 8.882 0.378 1
1 389 . 13 1 1 A 31 31 VAL HA H 31 4.250 3.982 0.268 1
1 397 . 13 1 1 A 31 31 VAL C C 31 177.700 176.945 0.755 1
1 398 . 13 1 1 A 31 31 VAL CA C 31 62.500 63.492 -0.992 1
1 399 . 13 1 1 A 31 31 VAL CB C 31 31.800 32.005 -0.205 1
1 402 . 13 1 1 A 31 31 VAL N N 31 124.500 126.741 -2.241 1
1 403 . 13 1 1 A 32 32 ALA H H 32 9.250 8.895 0.355 1
1 404 . 13 1 1 A 32 32 ALA HA H 32 3.710 3.925 -0.215 1
1 408 . 13 1 1 A 32 32 ALA C C 32 178.600 179.126 -0.526 1
1 409 . 13 1 1 A 32 32 ALA CA C 32 55.800 54.907 0.893 1
1 410 . 13 1 1 A 32 32 ALA CB C 32 19.400 18.393 1.007 1
1 411 . 13 1 1 A 32 32 ALA N N 32 129.900 128.505 1.395 1
1 412 . 13 1 1 A 33 33 ASP H H 33 9.510 8.182 1.328 1
1 413 . 13 1 1 A 33 33 ASP HA H 33 4.180 4.331 -0.151 1
1 416 . 13 1 1 A 33 33 ASP C C 33 176.300 178.228 -1.928 1
1 417 . 13 1 1 A 33 33 ASP CA C 33 54.600 57.869 -3.269 1
1 418 . 13 1 1 A 33 33 ASP CB C 33 39.200 41.738 -2.538 1
1 419 . 13 1 1 A 33 33 ASP N N 33 110.700 118.793 -8.093 1
1 420 . 13 1 1 A 34 34 ASP H H 34 7.830 7.948 -0.118 1
1 421 . 13 1 1 A 34 34 ASP HA H 34 4.650 4.353 0.297 1
1 424 . 13 1 1 A 34 34 ASP C C 34 176.300 178.891 -2.591 1
1 425 . 13 1 1 A 34 34 ASP CA C 34 55.100 57.294 -2.194 1
1 426 . 13 1 1 A 34 34 ASP CB C 34 41.000 40.964 0.036 1
1 427 . 13 1 1 A 34 34 ASP N N 34 114.700 119.039 -4.339 1
1 428 . 13 1 1 A 35 35 ILE H H 35 7.290 7.221 0.069 1
1 429 . 13 1 1 A 35 35 ILE HA H 35 4.490 3.688 0.802 1
1 439 . 13 1 1 A 35 35 ILE C C 35 174.100 176.754 -2.654 1
1 440 . 13 1 1 A 35 35 ILE CA C 35 60.700 64.994 -4.294 1
1 441 . 13 1 1 A 35 35 ILE CB C 35 40.600 37.841 2.759 1
1 445 . 13 1 1 A 35 35 ILE N N 35 113.400 118.655 -5.255 1
1 446 . 13 1 1 A 36 36 LEU H H 36 7.730 7.886 -0.156 1
1 447 . 13 1 1 A 36 36 LEU HA H 36 4.800 4.621 0.179 1
1 457 . 13 1 1 A 36 36 LEU CA C 36 52.200 53.567 -1.367 1
1 458 . 13 1 1 A 36 36 LEU CB C 36 42.700 41.223 1.477 1
1 462 . 13 1 1 A 36 36 LEU N N 36 120.400 121.746 -1.346 1
1 463 . 13 1 1 A 37 37 PRO HA H 37 4.440 4.588 -0.148 1
1 470 . 13 1 1 A 37 37 PRO C C 37 177.100 177.172 -0.072 1
1 471 . 13 1 1 A 37 37 PRO CA C 37 63.100 62.860 0.240 1
1 472 . 13 1 1 A 37 37 PRO CB C 37 32.700 32.876 -0.176 1
1 475 . 13 1 1 A 38 38 ASP H H 38 8.690 8.663 0.027 1
1 476 . 13 1 1 A 38 38 ASP HA H 38 4.230 4.313 -0.083 1
1 479 . 13 1 1 A 38 38 ASP C C 38 177.800 177.957 -0.157 1
1 480 . 13 1 1 A 38 38 ASP CA C 38 57.900 56.824 1.076 1
1 481 . 13 1 1 A 38 38 ASP CB C 38 42.200 40.426 1.774 1
1 482 . 13 1 1 A 38 38 ASP N N 38 123.800 122.073 1.727 1
1 483 . 13 1 1 A 39 39 GLN H H 39 9.080 7.856 1.224 1
1 484 . 13 1 1 A 39 39 GLN HA H 39 3.990 4.226 -0.236 1
1 491 . 13 1 1 A 39 39 GLN C C 39 176.400 177.095 -0.695 1
1 492 . 13 1 1 A 39 39 GLN CA C 39 58.000 58.107 -0.107 1
1 493 . 13 1 1 A 39 39 GLN CB C 39 27.300 29.612 -2.312 1
1 496 . 13 1 1 A 39 39 GLN N N 39 115.100 118.286 -3.186 1
1 498 . 13 1 1 A 40 40 TYR H H 40 7.510 8.279 -0.769 1
1 499 . 13 1 1 A 40 40 TYR HA H 40 4.730 4.559 0.171 1
1 506 . 13 1 1 A 40 40 TYR C C 40 174.200 176.292 -2.092 1
1 507 . 13 1 1 A 40 40 TYR CA C 40 57.000 57.272 -0.272 1
1 508 . 13 1 1 A 40 40 TYR CB C 40 39.400 38.118 1.282 1
1 513 . 13 1 1 A 40 40 TYR N N 40 116.800 117.151 -0.351 1
1 514 . 13 1 1 A 41 41 VAL H H 41 7.370 7.448 -0.078 1
1 515 . 13 1 1 A 41 41 VAL HA H 41 4.000 3.918 0.082 1
1 523 . 13 1 1 A 41 41 VAL C C 41 175.400 177.959 -2.559 1
1 524 . 13 1 1 A 41 41 VAL CA C 41 62.800 64.888 -2.088 1
1 525 . 13 1 1 A 41 41 VAL CB C 41 34.300 31.815 2.485 1
1 528 . 13 1 1 A 41 41 VAL N N 41 116.100 120.126 -4.026 1
1 529 . 13 1 1 A 42 42 ARG H H 42 7.990 8.303 -0.313 1
1 530 . 13 1 1 A 42 42 ARG HA H 42 3.970 3.966 0.004 1
1 537 . 13 1 1 A 42 42 ARG C C 42 176.600 179.009 -2.409 1
1 538 . 13 1 1 A 42 42 ARG CA C 42 58.500 59.439 -0.939 1
1 539 . 13 1 1 A 42 42 ARG CB C 42 29.700 29.850 -0.150 1
1 542 . 13 1 1 A 42 42 ARG N N 42 120.900 118.953 1.947 1
1 543 . 13 1 1 A 43 43 LEU H H 43 8.930 8.047 0.883 1
1 544 . 13 1 1 A 43 43 LEU HA H 43 4.060 3.926 0.134 1
1 554 . 13 1 1 A 43 43 LEU C C 43 176.200 177.784 -1.584 1
1 555 . 13 1 1 A 43 43 LEU CA C 43 56.100 57.819 -1.719 1
1 556 . 13 1 1 A 43 43 LEU CB C 43 40.100 41.774 -1.674 1
1 560 . 13 1 1 A 43 43 LEU N N 43 119.500 120.616 -1.116 1
1 561 . 13 1 1 A 44 44 GLY H H 44 7.890 7.732 0.158 1
1 562 . 13 1 1 A 44 44 GLY HA2 H 44 3.930 3.982 -0.052 1
1 563 . 13 1 1 A 44 44 GLY HA3 H 44 4.540 3.993 0.547 1
1 564 . 13 1 1 A 44 44 GLY CA C 44 44.900 44.638 0.262 1
1 565 . 13 1 1 A 44 44 GLY N N 44 107.000 107.188 -0.188 1
1 566 . 13 1 1 A 45 45 PRO HA H 45 4.360 4.410 -0.050 1
1 573 . 13 1 1 A 45 45 PRO C C 45 176.900 178.264 -1.364 1
1 574 . 13 1 1 A 45 45 PRO CA C 45 64.400 64.195 0.205 1
1 575 . 13 1 1 A 45 45 PRO CB C 45 31.900 31.726 0.174 1
1 578 . 13 1 1 A 46 46 LEU H H 46 8.660 7.755 0.905 1
1 579 . 13 1 1 A 46 46 LEU HA H 46 3.970 4.005 -0.035 1
1 589 . 13 1 1 A 46 46 LEU C C 46 176.300 177.147 -0.847 1
1 590 . 13 1 1 A 46 46 LEU CA C 46 55.900 57.683 -1.783 1
1 591 . 13 1 1 A 46 46 LEU CB C 46 43.500 41.448 2.052 1
1 595 . 13 1 1 A 46 46 LEU N N 46 117.000 118.323 -1.323 1
1 596 . 13 1 1 A 47 47 SER H H 47 7.160 7.422 -0.262 1
1 597 . 13 1 1 A 47 47 SER HA H 47 4.080 4.149 -0.069 1
1 600 . 13 1 1 A 47 47 SER C C 47 176.600 174.510 2.090 1
1 601 . 13 1 1 A 47 47 SER CA C 47 59.100 60.431 -1.331 1
1 602 . 13 1 1 A 47 47 SER CB C 47 62.800 61.891 0.909 1
1 603 . 13 1 1 A 47 47 SER N N 47 110.300 113.891 -3.591 1
1 604 . 13 1 1 A 48 48 ASN H H 48 11.000 8.527 2.473 1
1 605 . 13 1 1 A 48 48 ASN HA H 48 4.090 4.890 -0.800 1
1 610 . 13 1 1 A 48 48 ASN C C 48 174.700 174.573 0.127 1
1 611 . 13 1 1 A 48 48 ASN CA C 48 55.200 52.898 2.302 1
1 612 . 13 1 1 A 48 48 ASN CB C 48 38.300 38.868 -0.568 1
1 614 . 13 1 1 A 48 48 ASN N N 48 123.200 123.761 -0.561 1
1 616 . 13 1 1 A 49 49 LYS H H 49 7.830 8.093 -0.263 1
1 617 . 13 1 1 A 49 49 LYS HA H 49 4.360 4.148 0.212 1
1 626 . 13 1 1 A 49 49 LYS C C 49 175.100 176.225 -1.125 1
1 627 . 13 1 1 A 49 49 LYS CA C 49 56.100 56.194 -0.094 1
1 628 . 13 1 1 A 49 49 LYS CB C 49 33.200 32.954 0.246 1
1 632 . 13 1 1 A 49 49 LYS N N 49 119.400 121.661 -2.261 1
1 633 . 13 1 1 A 50 50 ILE H H 50 8.570 8.236 0.334 1
1 634 . 13 1 1 A 50 50 ILE HA H 50 4.160 4.244 -0.084 1
1 644 . 13 1 1 A 50 50 ILE C C 50 175.000 175.134 -0.134 1
1 645 . 13 1 1 A 50 50 ILE CA C 50 61.200 60.783 0.417 1
1 646 . 13 1 1 A 50 50 ILE CB C 50 36.900 37.523 -0.623 1
1 650 . 13 1 1 A 50 50 ILE N N 50 123.000 125.272 -2.272 1
1 651 . 13 1 1 A 51 51 LEU H H 51 9.270 8.484 0.786 1
1 652 . 13 1 1 A 51 51 LEU HA H 51 5.170 4.921 0.249 1
1 662 . 13 1 1 A 51 51 LEU C C 51 176.300 175.934 0.366 1
1 663 . 13 1 1 A 51 51 LEU CA C 51 52.500 53.194 -0.694 1
1 664 . 13 1 1 A 51 51 LEU CB C 51 42.600 45.326 -2.726 1
1 668 . 13 1 1 A 51 51 LEU N N 51 127.000 128.638 -1.638 1
1 669 . 13 1 1 A 52 52 GLN H H 52 9.110 8.404 0.706 1
1 670 . 13 1 1 A 52 52 GLN HA H 52 4.590 4.621 -0.031 1
1 677 . 13 1 1 A 52 52 GLN C C 52 175.000 174.945 0.055 1
1 678 . 13 1 1 A 52 52 GLN CA C 52 56.800 55.914 0.886 1
1 679 . 13 1 1 A 52 52 GLN CB C 52 29.200 29.109 0.091 1
1 682 . 13 1 1 A 52 52 GLN N N 52 122.700 123.741 -1.041 1
1 684 . 13 1 1 A 53 53 THR H H 53 9.110 8.957 0.153 1
1 685 . 13 1 1 A 53 53 THR HA H 53 4.730 4.924 -0.194 1
1 690 . 13 1 1 A 53 53 THR C C 53 172.500 173.886 -1.386 1
1 691 . 13 1 1 A 53 53 THR CA C 53 60.500 62.295 -1.795 1
1 692 . 13 1 1 A 53 53 THR CB C 53 69.800 69.590 0.210 1
1 694 . 13 1 1 A 53 53 THR N N 53 121.500 122.873 -1.373 1
1 695 . 13 1 1 A 54 54 ASN H H 54 8.210 9.178 -0.968 1
1 696 . 13 1 1 A 54 54 ASN HA H 54 5.400 5.399 0.001 1
1 701 . 13 1 1 A 54 54 ASN C C 54 172.900 174.089 -1.189 1
1 702 . 13 1 1 A 54 54 ASN CA C 54 52.400 52.427 -0.027 1
1 703 . 13 1 1 A 54 54 ASN CB C 54 40.900 39.123 1.777 1
1 705 . 13 1 1 A 54 54 ASN N N 54 125.400 126.032 -0.632 1
1 707 . 13 1 1 A 55 55 THR H H 55 8.510 8.731 -0.221 1
1 708 . 13 1 1 A 55 55 THR HA H 55 5.120 4.921 0.199 1
1 713 . 13 1 1 A 55 55 THR C C 55 172.800 173.494 -0.694 1
1 714 . 13 1 1 A 55 55 THR CA C 55 61.400 62.248 -0.848 1
1 715 . 13 1 1 A 55 55 THR CB C 55 69.700 70.193 -0.493 1
1 717 . 13 1 1 A 55 55 THR N N 55 119.300 122.008 -2.708 1
1 718 . 13 1 1 A 56 56 TYR H H 56 8.460 9.177 -0.717 1
1 719 . 13 1 1 A 56 56 TYR HA H 56 5.260 5.761 -0.501 1
1 726 . 13 1 1 A 56 56 TYR C C 56 173.400 175.264 -1.864 1
1 727 . 13 1 1 A 56 56 TYR CA C 56 57.500 56.133 1.367 1
1 728 . 13 1 1 A 56 56 TYR CB C 56 41.400 40.635 0.765 1
1 733 . 13 1 1 A 56 56 TYR N N 56 125.400 126.318 -0.918 1
1 734 . 13 1 1 A 57 57 TYR H H 57 8.450 8.494 -0.044 1
1 735 . 13 1 1 A 57 57 TYR HA H 57 4.530 5.709 -1.179 1
1 742 . 13 1 1 A 57 57 TYR C C 57 172.400 173.464 -1.064 1
1 743 . 13 1 1 A 57 57 TYR CA C 57 56.600 55.891 0.709 1
1 744 . 13 1 1 A 57 57 TYR CB C 57 41.700 42.715 -1.015 1
1 749 . 13 1 1 A 57 57 TYR N N 57 113.900 121.392 -7.492 1
1 750 . 13 1 1 A 58 58 SER H H 58 7.100 9.012 -1.912 1
1 751 . 13 1 1 A 58 58 SER HA H 58 4.750 4.977 -0.227 1
1 754 . 13 1 1 A 58 58 SER C C 58 173.800 174.074 -0.274 1
1 755 . 13 1 1 A 58 58 SER CA C 58 56.600 55.875 0.725 1
1 756 . 13 1 1 A 58 58 SER CB C 58 65.600 65.561 0.039 1
1 757 . 13 1 1 A 58 58 SER N N 58 114.200 114.908 -0.708 1
1 758 . 13 1 1 A 59 59 ASP H H 59 9.140 8.766 0.374 1
1 759 . 13 1 1 A 59 59 ASP HA H 59 4.550 4.348 0.202 1
1 762 . 13 1 1 A 59 59 ASP C C 59 179.000 177.960 1.040 1
1 763 . 13 1 1 A 59 59 ASP CA C 59 58.500 57.858 0.642 1
1 764 . 13 1 1 A 59 59 ASP CB C 59 40.400 40.896 -0.496 1
1 765 . 13 1 1 A 59 59 ASP N N 59 121.800 125.791 -3.991 1
1 766 . 13 1 1 A 60 60 THR H H 60 9.060 7.588 1.472 1
1 767 . 13 1 1 A 60 60 THR HA H 60 4.000 4.001 -0.001 1
1 772 . 13 1 1 A 60 60 THR C C 60 178.000 176.373 1.627 1
1 773 . 13 1 1 A 60 60 THR CA C 60 67.300 67.484 -0.184 1
1 774 . 13 1 1 A 60 60 THR CB C 60 67.300 68.261 -0.961 1
1 776 . 13 1 1 A 60 60 THR N N 60 114.800 116.615 -1.815 1
1 777 . 13 1 1 A 61 61 LEU H H 61 7.950 8.290 -0.340 1
1 778 . 13 1 1 A 61 61 LEU HA H 61 3.610 3.873 -0.263 1
1 788 . 13 1 1 A 61 61 LEU C C 61 178.900 178.920 -0.020 1
1 789 . 13 1 1 A 61 61 LEU CA C 61 58.600 57.864 0.736 1
1 790 . 13 1 1 A 61 61 LEU CB C 61 39.500 41.886 -2.386 1
1 794 . 13 1 1 A 61 61 LEU N N 61 126.100 120.808 5.292 1
1 795 . 13 1 1 A 62 62 HIS H H 62 8.260 8.593 -0.333 1
1 796 . 13 1 1 A 62 62 HIS HA H 62 4.470 3.830 0.640 1
1 800 . 13 1 1 A 62 62 HIS C C 62 178.900 176.792 2.108 1
1 801 . 13 1 1 A 62 62 HIS CA C 62 58.600 60.361 -1.761 1
1 802 . 13 1 1 A 62 62 HIS CB C 62 29.500 29.785 -0.285 1
1 804 . 13 1 1 A 62 62 HIS N N 62 116.000 117.793 -1.793 1
1 805 . 13 1 1 A 63 63 LYS H H 63 7.790 8.118 -0.328 1
1 806 . 13 1 1 A 63 63 LYS HA H 63 3.960 3.826 0.134 1
1 815 . 13 1 1 A 63 63 LYS C C 63 177.900 178.641 -0.741 1
1 816 . 13 1 1 A 63 63 LYS CA C 63 59.200 59.398 -0.198 1
1 817 . 13 1 1 A 63 63 LYS CB C 63 32.400 32.311 0.089 1
1 821 . 13 1 1 A 63 63 LYS N N 63 119.100 119.710 -0.610 1
1 822 . 13 1 1 A 64 64 SER H H 64 7.580 7.652 -0.072 1
1 823 . 13 1 1 A 64 64 SER HA H 64 4.260 4.381 -0.121 1
1 826 . 13 1 1 A 64 64 SER C C 64 172.100 172.835 -0.735 1
1 827 . 13 1 1 A 64 64 SER CA C 64 59.300 58.183 1.117 1
1 828 . 13 1 1 A 64 64 SER CB C 64 63.600 63.088 0.512 1
1 829 . 13 1 1 A 64 64 SER N N 64 112.470 113.591 -1.121 1
1 830 . 13 1 1 A 65 65 ASN H H 65 7.760 7.879 -0.119 1
1 831 . 13 1 1 A 65 65 ASN HA H 65 3.870 4.214 -0.344 1
1 836 . 13 1 1 A 65 65 ASN C C 65 171.100 173.787 -2.687 1
1 837 . 13 1 1 A 65 65 ASN CA C 65 54.300 54.493 -0.193 1
1 838 . 13 1 1 A 65 65 ASN CB C 65 37.500 36.708 0.792 1
1 840 . 13 1 1 A 65 65 ASN N N 65 117.600 116.363 1.237 1
1 842 . 13 1 1 A 66 66 ILE H H 66 6.820 7.389 -0.569 1
1 843 . 13 1 1 A 66 66 ILE HA H 66 4.590 4.756 -0.166 1
1 853 . 13 1 1 A 66 66 ILE C C 66 174.000 174.171 -0.171 1
1 854 . 13 1 1 A 66 66 ILE CA C 66 58.200 60.060 -1.860 1
1 855 . 13 1 1 A 66 66 ILE CB C 66 40.200 40.266 -0.066 1
1 859 . 13 1 1 A 66 66 ILE N N 66 113.900 118.272 -4.372 1
1 860 . 13 1 1 A 67 67 TYR H H 67 8.530 8.456 0.074 1
1 861 . 13 1 1 A 67 67 TYR HA H 67 5.050 5.481 -0.431 1
1 868 . 13 1 1 A 67 67 TYR CA C 67 54.000 54.876 -0.876 1
1 869 . 13 1 1 A 67 67 TYR CB C 67 39.400 38.953 0.447 1
1 874 . 13 1 1 A 67 67 TYR N N 67 120.200 125.682 -5.482 1
1 875 . 13 1 1 A 68 68 PRO HA H 68 5.120 5.077 0.043 1
1 882 . 13 1 1 A 68 68 PRO C C 68 174.600 176.854 -2.254 1
1 883 . 13 1 1 A 68 68 PRO CA C 68 61.500 62.627 -1.127 1
1 884 . 13 1 1 A 68 68 PRO CB C 68 32.200 32.469 -0.269 1
1 887 . 13 1 1 A 69 69 PHE H H 69 8.870 8.599 0.271 1
1 888 . 13 1 1 A 69 69 PHE HA H 69 6.330 5.319 1.011 1
1 896 . 13 1 1 A 69 69 PHE C C 69 173.000 172.579 0.421 1
1 897 . 13 1 1 A 69 69 PHE CA C 69 56.300 56.316 -0.016 1
1 898 . 13 1 1 A 69 69 PHE CB C 69 42.900 41.727 1.173 1
1 903 . 13 1 1 A 69 69 PHE N N 69 118.400 118.031 0.369 1
1 904 . 13 1 1 A 70 70 ILE H H 70 9.060 8.622 0.438 1
1 905 . 13 1 1 A 70 70 ILE HA H 70 4.840 4.799 0.041 1
1 915 . 13 1 1 A 70 70 ILE C C 70 175.700 174.643 1.057 1
1 916 . 13 1 1 A 70 70 ILE CA C 70 61.900 59.581 2.319 1
1 917 . 13 1 1 A 70 70 ILE CB C 70 43.000 42.090 0.910 1
1 921 . 13 1 1 A 70 70 ILE N N 70 117.700 120.355 -2.655 1
1 922 . 13 1 1 A 71 71 LEU H H 71 9.320 8.400 0.920 1
1 923 . 13 1 1 A 71 71 LEU HA H 71 5.720 5.199 0.521 1
1 933 . 13 1 1 A 71 71 LEU C C 71 175.600 175.633 -0.033 1
1 934 . 13 1 1 A 71 71 LEU CA C 71 52.400 53.524 -1.124 1
1 935 . 13 1 1 A 71 71 LEU CB C 71 43.700 43.236 0.464 1
1 939 . 13 1 1 A 71 71 LEU N N 71 124.800 125.446 -0.646 1
1 940 . 13 1 1 A 72 72 TYR H H 72 9.250 9.006 0.244 1
1 941 . 13 1 1 A 72 72 TYR HA H 72 5.350 5.632 -0.282 1
1 948 . 13 1 1 A 72 72 TYR C C 72 174.100 174.981 -0.881 1
1 949 . 13 1 1 A 72 72 TYR CA C 72 57.300 56.507 0.793 1
1 950 . 13 1 1 A 72 72 TYR CB C 72 44.500 41.939 2.561 1
1 955 . 13 1 1 A 72 72 TYR N N 72 120.700 122.657 -1.957 1
1 956 . 13 1 1 A 73 73 TYR H H 73 9.250 8.728 0.522 1
1 957 . 13 1 1 A 73 73 TYR HA H 73 5.110 4.812 0.298 1
1 964 . 13 1 1 A 73 73 TYR C C 73 174.500 175.225 -0.725 1
1 965 . 13 1 1 A 73 73 TYR CA C 73 56.500 58.181 -1.681 1
1 966 . 13 1 1 A 73 73 TYR CB C 73 40.400 40.996 -0.596 1
1 971 . 13 1 1 A 73 73 TYR N N 73 120.300 124.033 -3.733 1
1 972 . 13 1 1 A 74 74 GLN H H 74 9.310 8.629 0.681 1
1 973 . 13 1 1 A 74 74 GLN HA H 74 3.530 3.685 -0.155 1
1 980 . 13 1 1 A 74 74 GLN C C 74 175.400 176.634 -1.234 1
1 981 . 13 1 1 A 74 74 GLN CA C 74 57.200 58.041 -0.841 1
1 982 . 13 1 1 A 74 74 GLN CB C 74 25.500 26.988 -1.488 1
1 985 . 13 1 1 A 74 74 GLN N N 74 126.000 126.242 -0.242 1
1 987 . 13 1 1 A 75 75 LYS H H 75 8.530 8.447 0.083 1
1 988 . 13 1 1 A 75 75 LYS HA H 75 3.820 4.299 -0.479 1
1 997 . 13 1 1 A 75 75 LYS C C 75 175.500 176.570 -1.070 1
1 998 . 13 1 1 A 75 75 LYS CA C 75 57.300 56.145 1.155 1
1 999 . 13 1 1 A 75 75 LYS CB C 75 30.900 32.210 -1.310 1
1 1003 . 13 1 1 A 75 75 LYS N N 75 113.600 120.186 -6.586 1
1 1004 . 13 1 1 A 76 76 GLN H H 76 8.550 8.130 0.420 1
1 1005 . 13 1 1 A 76 76 GLN HA H 76 4.470 4.223 0.247 1
1 1012 . 13 1 1 A 76 76 GLN C C 76 175.400 175.867 -0.467 1
1 1013 . 13 1 1 A 76 76 GLN CA C 76 54.700 58.155 -3.455 1
1 1014 . 13 1 1 A 76 76 GLN CB C 76 29.900 27.422 2.478 1
1 1017 . 13 1 1 A 76 76 GLN N N 76 122.200 116.280 5.920 1
1 1019 . 13 1 1 A 77 77 LEU H H 77 8.860 8.600 0.260 1
1 1020 . 13 1 1 A 77 77 LEU HA H 77 3.940 4.131 -0.191 1
1 1030 . 13 1 1 A 77 77 LEU C C 77 175.300 175.880 -0.580 1
1 1031 . 13 1 1 A 77 77 LEU CA C 77 56.800 55.939 0.861 1
1 1032 . 13 1 1 A 77 77 LEU CB C 77 41.800 42.514 -0.714 1
1 1036 . 13 1 1 A 77 77 LEU N N 77 128.900 126.408 2.492 1
1 1037 . 13 1 1 A 78 78 ILE H H 78 8.880 8.556 0.324 1
1 1038 . 13 1 1 A 78 78 ILE HA H 78 4.810 4.120 0.690 1
1 1048 . 13 1 1 A 78 78 ILE C C 78 174.600 175.762 -1.162 1
1 1049 . 13 1 1 A 78 78 ILE CA C 78 58.300 62.258 -3.958 1
1 1050 . 13 1 1 A 78 78 ILE CB C 78 38.270 39.240 -0.970 1
1 1054 . 13 1 1 A 78 78 ILE N N 78 126.900 128.045 -1.145 1
1 1055 . 13 1 1 A 79 79 ALA H H 79 7.940 7.508 0.432 1
1 1056 . 13 1 1 A 79 79 ALA HA H 79 5.390 4.722 0.668 1
1 1060 . 13 1 1 A 79 79 ALA C C 79 175.300 175.253 0.047 1
1 1061 . 13 1 1 A 79 79 ALA CA C 79 51.600 51.583 0.017 1
1 1062 . 13 1 1 A 79 79 ALA CB C 79 24.000 22.722 1.278 1
1 1063 . 13 1 1 A 79 79 ALA N N 79 115.000 118.671 -3.671 1
1 1064 . 13 1 1 A 80 80 ILE H H 80 8.580 8.226 0.354 1
1 1065 . 13 1 1 A 80 80 ILE HA H 80 4.840 4.862 -0.022 1
1 1075 . 13 1 1 A 80 80 ILE C C 80 175.000 175.006 -0.006 1
1 1076 . 13 1 1 A 80 80 ILE CA C 80 60.300 58.688 1.612 1
1 1077 . 13 1 1 A 80 80 ILE CB C 80 42.800 41.851 0.949 1
1 1081 . 13 1 1 A 80 80 ILE N N 80 117.900 115.401 2.499 1
1 1082 . 13 1 1 A 81 81 GLY H H 81 8.200 7.437 0.763 1
1 1083 . 13 1 1 A 81 81 GLY HA2 H 81 3.750 3.675 0.075 1
1 1084 . 13 1 1 A 81 81 GLY HA3 H 81 4.070 4.070 0.000 1
1 1085 . 13 1 1 A 81 81 GLY C C 81 169.100 171.566 -2.466 1
1 1086 . 13 1 1 A 81 81 GLY CA C 81 46.600 45.508 1.092 1
1 1087 . 13 1 1 A 81 81 GLY N N 81 116.400 109.073 7.327 1
1 1088 . 13 1 1 A 82 82 PHE H H 82 8.210 8.335 -0.125 1
1 1089 . 13 1 1 A 82 82 PHE HA H 82 5.340 5.605 -0.265 1
1 1094 . 13 1 1 A 82 82 PHE C C 82 172.400 172.323 0.077 1
1 1095 . 13 1 1 A 82 82 PHE CA C 82 56.300 56.026 0.274 1
1 1096 . 13 1 1 A 82 82 PHE CB C 82 40.100 42.201 -2.101 1
1 1099 . 13 1 1 A 82 82 PHE N N 82 114.500 112.962 1.538 1
1 1100 . 13 1 1 A 83 83 ILE H H 83 8.490 9.288 -0.798 1
1 1101 . 13 1 1 A 83 83 ILE HA H 83 4.740 4.971 -0.231 1
1 1111 . 13 1 1 A 83 83 ILE C C 83 175.200 174.514 0.686 1
1 1112 . 13 1 1 A 83 83 ILE CA C 83 60.400 60.379 0.021 1
1 1113 . 13 1 1 A 83 83 ILE CB C 83 39.500 39.386 0.114 1
1 1117 . 13 1 1 A 83 83 ILE N N 83 123.400 120.631 2.769 1
1 1118 . 13 1 1 A 84 84 ASP H H 84 8.550 9.090 -0.540 1
1 1119 . 13 1 1 A 84 84 ASP HA H 84 5.170 5.152 0.018 1
1 1122 . 13 1 1 A 84 84 ASP C C 84 178.600 176.583 2.017 1
1 1123 . 13 1 1 A 84 84 ASP CA C 84 52.200 53.456 -1.256 1
1 1124 . 13 1 1 A 84 84 ASP CB C 84 42.400 42.538 -0.138 1
1 1125 . 13 1 1 A 84 84 ASP N N 84 126.900 127.783 -0.883 1
1 1126 . 13 1 1 A 85 85 GLU H H 85 9.250 9.542 -0.292 1
1 1127 . 13 1 1 A 85 85 GLU HA H 85 4.350 4.087 0.263 1
1 1132 . 13 1 1 A 85 85 GLU C C 85 176.800 176.514 0.286 1
1 1133 . 13 1 1 A 85 85 GLU CA C 85 58.400 57.891 0.509 1
1 1134 . 13 1 1 A 85 85 GLU CB C 85 28.700 27.939 0.761 1
1 1136 . 13 1 1 A 85 85 GLU N N 85 118.000 123.309 -5.309 1
1 1137 . 13 1 1 A 86 86 ASN H H 86 8.280 8.323 -0.043 1
1 1138 . 13 1 1 A 86 86 ASN HA H 86 4.760 4.490 0.270 1
1 1143 . 13 1 1 A 86 86 ASN C C 86 174.600 174.605 -0.005 1
1 1144 . 13 1 1 A 86 86 ASN CA C 86 52.800 54.474 -1.674 1
1 1145 . 13 1 1 A 86 86 ASN CB C 86 38.900 37.626 1.274 1
1 1147 . 13 1 1 A 86 86 ASN N N 86 118.300 117.577 0.723 1
1 1149 . 13 1 1 A 87 87 HIS H H 87 8.570 8.111 0.459 1
1 1150 . 13 1 1 A 87 87 HIS HA H 87 3.940 4.847 -0.907 1
1 1154 . 13 1 1 A 87 87 HIS C C 87 173.600 174.291 -0.691 1
1 1155 . 13 1 1 A 87 87 HIS CA C 87 57.000 57.020 -0.020 1
1 1156 . 13 1 1 A 87 87 HIS CB C 87 26.700 31.653 -4.953 1
1 1158 . 13 1 1 A 87 87 HIS N N 87 114.000 116.712 -2.712 1
1 1159 . 13 1 1 A 88 88 ASP H H 88 8.210 7.709 0.501 1
1 1160 . 13 1 1 A 88 88 ASP HA H 88 4.840 4.317 0.523 1
1 1163 . 13 1 1 A 88 88 ASP C C 88 174.800 175.298 -0.498 1
1 1164 . 13 1 1 A 88 88 ASP CA C 88 53.900 54.365 -0.465 1
1 1165 . 13 1 1 A 88 88 ASP CB C 88 41.500 41.516 -0.016 1
1 1166 . 13 1 1 A 88 88 ASP N N 88 120.300 119.485 0.815 1
1 1167 . 13 1 1 A 89 89 MET H H 89 8.550 8.711 -0.161 1
1 1168 . 13 1 1 A 89 89 MET HA H 89 4.450 4.839 -0.389 1
1 1176 . 13 1 1 A 89 89 MET C C 89 173.400 173.928 -0.528 1
1 1177 . 13 1 1 A 89 89 MET CA C 89 55.800 53.788 2.012 1
1 1178 . 13 1 1 A 89 89 MET CB C 89 34.700 33.754 0.946 1
1 1181 . 13 1 1 A 89 89 MET N N 89 120.400 126.260 -5.860 1
1 1182 . 13 1 1 A 90 90 ASP H H 90 8.420 8.574 -0.154 1
1 1183 . 13 1 1 A 90 90 ASP HA H 90 4.580 5.092 -0.512 1
1 1186 . 13 1 1 A 90 90 ASP C C 90 174.600 174.574 0.026 1
1 1187 . 13 1 1 A 90 90 ASP CA C 90 52.300 52.305 -0.005 1
1 1188 . 13 1 1 A 90 90 ASP CB C 90 41.800 43.282 -1.482 1
1 1189 . 13 1 1 A 90 90 ASP N N 90 126.900 126.753 0.147 1
1 1190 . 13 1 1 A 91 91 PHE H H 91 8.350 8.989 -0.639 1
1 1191 . 13 1 1 A 91 91 PHE HA H 91 4.780 5.067 -0.287 1
1 1199 . 13 1 1 A 91 91 PHE C C 91 175.600 175.281 0.319 1
1 1200 . 13 1 1 A 91 91 PHE CA C 91 58.200 55.790 2.410 1
1 1201 . 13 1 1 A 91 91 PHE CB C 91 41.400 41.506 -0.106 1
1 1207 . 13 1 1 A 91 91 PHE N N 91 118.600 121.675 -3.075 1
1 1208 . 13 1 1 A 92 92 LEU H H 92 9.060 8.816 0.244 1
1 1209 . 13 1 1 A 92 92 LEU HA H 92 4.330 4.493 -0.163 1
1 1219 . 13 1 1 A 92 92 LEU C C 92 175.700 175.394 0.306 1
1 1220 . 13 1 1 A 92 92 LEU CA C 92 55.200 56.812 -1.612 1
1 1221 . 13 1 1 A 92 92 LEU CB C 92 43.500 43.420 0.080 1
1 1225 . 13 1 1 A 92 92 LEU N N 92 121.100 125.935 -4.835 1
1 1226 . 13 1 1 A 93 93 TYR H H 93 7.970 7.996 -0.026 1
1 1227 . 13 1 1 A 93 93 TYR HA H 93 4.780 4.898 -0.118 1
1 1234 . 13 1 1 A 93 93 TYR C C 93 172.800 173.511 -0.711 1
1 1235 . 13 1 1 A 93 93 TYR CA C 93 57.600 56.067 1.533 1
1 1236 . 13 1 1 A 93 93 TYR CB C 93 42.500 41.555 0.945 1
1 1241 . 13 1 1 A 93 93 TYR N N 93 118.600 118.769 -0.169 1
1 1242 . 13 1 1 A 94 94 LEU H H 94 8.220 8.342 -0.122 1
1 1243 . 13 1 1 A 94 94 LEU HA H 94 5.060 5.129 -0.069 1
1 1253 . 13 1 1 A 94 94 LEU C C 94 171.900 174.096 -2.196 1
1 1254 . 13 1 1 A 94 94 LEU CA C 94 55.100 53.034 2.066 1
1 1255 . 13 1 1 A 94 94 LEU CB C 94 44.800 45.466 -0.666 1
1 1259 . 13 1 1 A 94 94 LEU N N 94 128.600 129.818 -1.218 1
1 1260 . 13 1 1 A 95 95 HIS H H 95 9.720 8.564 1.156 1
1 1261 . 13 1 1 A 95 95 HIS HA H 95 4.570 4.991 -0.421 1
1 1266 . 13 1 1 A 95 95 HIS C C 95 173.100 173.860 -0.760 1
1 1267 . 13 1 1 A 95 95 HIS CA C 95 55.500 53.447 2.053 1
1 1268 . 13 1 1 A 95 95 HIS CB C 95 35.900 32.090 3.810 1
1 1271 . 13 1 1 A 95 95 HIS N N 95 133.000 125.976 7.024 1
1 1272 . 13 1 1 A 96 96 ASN H H 96 7.670 8.982 -1.312 1
1 1273 . 13 1 1 A 96 96 ASN HA H 96 4.930 4.874 0.056 1
1 1278 . 13 1 1 A 96 96 ASN C C 96 176.100 176.643 -0.543 1
1 1279 . 13 1 1 A 96 96 ASN CA C 96 51.000 53.000 -2.000 1
1 1280 . 13 1 1 A 96 96 ASN CB C 96 38.500 39.556 -1.056 1
1 1281 . 13 1 1 A 96 96 ASN N N 96 118.600 125.335 -6.735 1
1 1283 . 13 1 1 A 97 97 THR H H 97 10.580 8.781 1.799 1
1 1284 . 13 1 1 A 97 97 THR HA H 97 4.090 3.869 0.221 1
1 1289 . 13 1 1 A 97 97 THR C C 97 174.600 176.284 -1.684 1
1 1290 . 13 1 1 A 97 97 THR CA C 97 67.000 65.537 1.463 1
1 1291 . 13 1 1 A 97 97 THR CB C 97 68.300 68.304 -0.004 1
1 1293 . 13 1 1 A 97 97 THR N N 97 116.300 115.914 0.386 1
1 1294 . 13 1 1 A 98 98 VAL H H 98 8.440 7.755 0.685 1
1 1295 . 13 1 1 A 98 98 VAL HA H 98 4.180 4.026 0.154 1
1 1303 . 13 1 1 A 98 98 VAL C C 98 174.800 176.449 -1.649 1
1 1304 . 13 1 1 A 98 98 VAL CA C 98 64.400 64.079 0.321 1
1 1305 . 13 1 1 A 98 98 VAL CB C 98 33.100 32.868 0.232 1
1 1308 . 13 1 1 A 98 98 VAL N N 98 123.900 120.157 3.743 1
1 1309 . 13 1 1 A 99 99 MET H H 99 8.590 7.693 0.897 1
1 1310 . 13 1 1 A 99 99 MET HA H 99 4.720 4.947 -0.227 1
1 1318 . 13 1 1 A 99 99 MET CA C 99 52.400 53.550 -1.150 1
1 1319 . 13 1 1 A 99 99 MET CB C 99 34.100 35.235 -1.135 1
1 1322 . 13 1 1 A 99 99 MET N N 99 118.700 115.069 3.631 1
1 1323 . 13 1 1 A 100 100 PRO HA H 100 4.210 4.620 -0.410 1
1 1330 . 13 1 1 A 100 100 PRO C C 100 175.900 176.510 -0.610 1
1 1331 . 13 1 1 A 100 100 PRO CA C 100 62.100 62.899 -0.799 1
1 1332 . 13 1 1 A 100 100 PRO CB C 100 31.000 32.278 -1.278 1
1 1335 . 13 1 1 A 101 101 LEU H H 101 9.010 8.738 0.272 1
1 1336 . 13 1 1 A 101 101 LEU HA H 101 4.310 4.349 -0.039 1
1 1346 . 13 1 1 A 101 101 LEU C C 101 176.900 176.548 0.352 1
1 1347 . 13 1 1 A 101 101 LEU CA C 101 55.000 55.822 -0.822 1
1 1348 . 13 1 1 A 101 101 LEU CB C 101 42.800 42.771 0.029 1
1 1352 . 13 1 1 A 101 101 LEU N N 101 124.000 119.837 4.163 1
1 1353 . 13 1 1 A 102 102 LEU H H 102 7.620 7.506 0.114 1
1 1354 . 13 1 1 A 102 102 LEU HA H 102 4.360 5.000 -0.640 1
1 1364 . 13 1 1 A 102 102 LEU C C 102 174.800 174.939 -0.139 1
1 1365 . 13 1 1 A 102 102 LEU CA C 102 54.900 53.497 1.403 1
1 1366 . 13 1 1 A 102 102 LEU CB C 102 45.300 45.655 -0.355 1
1 1370 . 13 1 1 A 102 102 LEU N N 102 119.000 117.032 1.968 1
1 1371 . 13 1 1 A 103 103 ASP H H 103 9.120 8.865 0.255 1
1 1372 . 13 1 1 A 103 103 ASP HA H 103 5.100 5.489 -0.389 1
1 1375 . 13 1 1 A 103 103 ASP C C 103 174.500 174.355 0.145 1
1 1376 . 13 1 1 A 103 103 ASP CA C 103 54.900 53.940 0.960 1
1 1377 . 13 1 1 A 103 103 ASP CB C 103 41.000 43.809 -2.809 1
1 1378 . 13 1 1 A 103 103 ASP N N 103 120.700 121.425 -0.725 1
1 1379 . 13 1 1 A 104 104 GLN H H 104 8.990 9.138 -0.148 1
1 1380 . 13 1 1 A 104 104 GLN HA H 104 4.710 4.818 -0.108 1
1 1387 . 13 1 1 A 104 104 GLN C C 104 176.100 176.003 0.097 1
1 1388 . 13 1 1 A 104 104 GLN CA C 104 54.100 55.115 -1.015 1
1 1389 . 13 1 1 A 104 104 GLN CB C 104 28.500 30.149 -1.649 1
1 1392 . 13 1 1 A 104 104 GLN N N 104 125.400 123.348 2.052 1
1 1394 . 13 1 1 A 105 105 ARG H H 105 8.380 8.873 -0.493 1
1 1395 . 13 1 1 A 105 105 ARG HA H 105 3.510 3.894 -0.384 1
1 1402 . 13 1 1 A 105 105 ARG C C 105 177.500 178.003 -0.503 1
1 1403 . 13 1 1 A 105 105 ARG CA C 105 60.200 59.687 0.513 1
1 1404 . 13 1 1 A 105 105 ARG CB C 105 29.400 29.577 -0.177 1
1 1407 . 13 1 1 A 105 105 ARG N N 105 117.700 126.242 -8.542 1
1 1408 . 13 1 1 A 106 106 TYR H H 106 7.800 8.060 -0.260 1
1 1409 . 13 1 1 A 106 106 TYR HA H 106 4.360 4.398 -0.038 1
1 1416 . 13 1 1 A 106 106 TYR C C 106 176.800 178.384 -1.584 1
1 1417 . 13 1 1 A 106 106 TYR CA C 106 58.600 60.299 -1.699 1
1 1418 . 13 1 1 A 106 106 TYR CB C 106 36.000 38.309 -2.309 1
1 1423 . 13 1 1 A 106 106 TYR N N 106 118.100 119.347 -1.247 1
1 1424 . 13 1 1 A 107 107 LEU H H 107 7.170 8.643 -1.473 1
1 1425 . 13 1 1 A 107 107 LEU HA H 107 3.970 4.155 -0.185 1
1 1435 . 13 1 1 A 107 107 LEU C C 107 178.300 178.223 0.077 1
1 1436 . 13 1 1 A 107 107 LEU CA C 107 56.600 57.905 -1.305 1
1 1437 . 13 1 1 A 107 107 LEU CB C 107 41.800 41.385 0.415 1
1 1441 . 13 1 1 A 107 107 LEU N N 107 121.900 119.995 1.905 1
1 1442 . 13 1 1 A 108 108 LEU H H 108 7.680 7.554 0.126 1
1 1443 . 13 1 1 A 108 108 LEU HA H 108 4.070 4.194 -0.124 1
1 1453 . 13 1 1 A 108 108 LEU C C 108 177.500 177.640 -0.140 1
1 1454 . 13 1 1 A 108 108 LEU CA C 108 55.400 55.882 -0.482 1
1 1455 . 13 1 1 A 108 108 LEU CB C 108 41.500 41.489 0.011 1
1 1459 . 13 1 1 A 108 108 LEU N N 108 115.400 119.529 -4.129 1
1 1460 . 13 1 1 A 109 109 THR H H 109 7.510 7.663 -0.153 1
1 1461 . 13 1 1 A 109 109 THR HA H 109 4.310 4.466 -0.156 1
1 1466 . 13 1 1 A 109 109 THR C C 109 175.300 175.233 0.067 1
1 1467 . 13 1 1 A 109 109 THR CA C 109 61.600 62.459 -0.859 1
1 1468 . 13 1 1 A 109 109 THR CB C 109 69.500 69.739 -0.239 1
1 1470 . 13 1 1 A 109 109 THR N N 109 108.800 111.543 -2.743 1
1 1471 . 13 1 1 A 110 110 GLY H H 110 8.010 8.106 -0.096 1
1 1472 . 13 1 1 A 110 110 GLY HA2 H 110 3.950 4.141 -0.191 1
1 1473 . 13 1 1 A 110 110 GLY HA3 H 110 4.030 4.187 -0.157 1
1 1474 . 13 1 1 A 110 110 GLY C C 110 174.500 174.423 0.077 1
1 1475 . 13 1 1 A 110 110 GLY CA C 110 45.400 44.782 0.618 1
1 1476 . 13 1 1 A 110 110 GLY N N 110 110.100 109.403 0.697 1
1 1477 . 13 1 1 A 111 111 GLY H H 111 8.310 8.683 -0.373 1
1 1478 . 13 1 1 A 111 111 GLY HA2 H 111 3.930 4.075 -0.145 1
1 1479 . 13 1 1 A 111 111 GLY HA3 H 111 3.930 4.090 -0.160 1
1 1480 . 13 1 1 A 111 111 GLY C C 111 173.700 173.470 0.230 1
1 1481 . 13 1 1 A 111 111 GLY CA C 111 45.400 44.771 0.629 1
1 1482 . 13 1 1 A 111 111 GLY N N 111 108.300 108.593 -0.293 1
1 1483 . 13 1 1 A 112 112 GLN H H 112 8.280 8.250 0.030 1
1 1484 . 13 1 1 A 112 112 GLN HA H 112 4.270 4.671 -0.401 1
1 1491 . 13 1 1 A 112 112 GLN C C 112 175.700 175.445 0.255 1
1 1492 . 13 1 1 A 112 112 GLN CA C 112 55.600 54.779 0.821 1
1 1493 . 13 1 1 A 112 112 GLN CB C 112 29.200 29.844 -0.644 1
1 1496 . 13 1 1 A 112 112 GLN N N 112 119.200 117.594 1.606 1
1 1498 . 13 1 1 A 113 113 LEU H H 113 8.260 8.515 -0.255 1
1 1499 . 13 1 1 A 113 113 LEU HA H 113 4.180 4.571 -0.391 1
1 1509 . 13 1 1 A 113 113 LEU C C 113 177.000 176.055 0.945 1
1 1510 . 13 1 1 A 113 113 LEU CA C 113 55.100 54.262 0.838 1
1 1511 . 13 1 1 A 113 113 LEU CB C 113 42.100 41.489 0.611 1
1 1515 . 13 1 1 A 113 113 LEU N N 113 122.800 122.281 0.519 1
1 1516 . 13 1 1 A 114 114 GLU H H 114 8.290 8.949 -0.659 1
1 1517 . 13 1 1 A 114 114 GLU HA H 114 4.140 4.971 -0.831 1
1 1522 . 13 1 1 A 114 114 GLU CA C 114 56.300 55.242 1.058 1
1 1523 . 13 1 1 A 114 114 GLU CB C 114 30.200 31.262 -1.062 1
1 1 . 14 1 1 A 2 2 THR HA H 2 4.300 4.453 -0.153 1
1 6 . 14 1 1 A 2 2 THR C C 2 174.800 176.049 -1.249 1
1 7 . 14 1 1 A 2 2 THR CA C 2 61.100 62.211 -1.111 1
1 8 . 14 1 1 A 2 2 THR CB C 2 70.400 69.528 0.872 1
1 10 . 14 1 1 A 3 3 LEU H H 3 8.760 7.651 1.109 1
1 11 . 14 1 1 A 3 3 LEU HA H 3 4.110 3.899 0.211 1
1 21 . 14 1 1 A 3 3 LEU C C 3 178.300 178.862 -0.562 1
1 22 . 14 1 1 A 3 3 LEU CA C 3 57.800 57.790 0.010 1
1 23 . 14 1 1 A 3 3 LEU CB C 3 41.600 41.169 0.431 1
1 27 . 14 1 1 A 3 3 LEU N N 3 123.600 122.246 1.354 1
1 28 . 14 1 1 A 4 4 GLU H H 4 8.740 8.143 0.597 1
1 29 . 14 1 1 A 4 4 GLU HA H 4 3.670 3.991 -0.321 1
1 34 . 14 1 1 A 4 4 GLU C C 4 177.900 179.205 -1.305 1
1 35 . 14 1 1 A 4 4 GLU CA C 4 60.000 59.238 0.762 1
1 36 . 14 1 1 A 4 4 GLU CB C 4 29.200 29.485 -0.285 1
1 38 . 14 1 1 A 4 4 GLU N N 4 116.500 120.759 -4.259 1
1 39 . 14 1 1 A 5 5 LEU H H 5 7.340 8.404 -1.064 1
1 40 . 14 1 1 A 5 5 LEU HA H 5 3.900 3.851 0.049 1
1 50 . 14 1 1 A 5 5 LEU C C 5 178.900 179.167 -0.267 1
1 51 . 14 1 1 A 5 5 LEU CA C 5 56.900 57.957 -1.057 1
1 52 . 14 1 1 A 5 5 LEU CB C 5 41.200 41.328 -0.128 1
1 56 . 14 1 1 A 5 5 LEU N N 5 120.500 120.323 0.177 1
1 57 . 14 1 1 A 6 6 GLN H H 6 8.350 8.194 0.156 1
1 58 . 14 1 1 A 6 6 GLN HA H 6 3.970 4.270 -0.300 1
1 63 . 14 1 1 A 6 6 GLN C C 6 179.700 178.728 0.972 1
1 64 . 14 1 1 A 6 6 GLN CA C 6 59.100 58.634 0.466 1
1 65 . 14 1 1 A 6 6 GLN CB C 6 29.100 28.190 0.910 1
1 67 . 14 1 1 A 6 6 GLN N N 6 120.800 118.016 2.784 1
1 68 . 14 1 1 A 7 7 LEU H H 7 8.620 8.391 0.229 1
1 69 . 14 1 1 A 7 7 LEU HA H 7 4.010 4.167 -0.157 1
1 79 . 14 1 1 A 7 7 LEU C C 7 176.900 178.596 -1.696 1
1 80 . 14 1 1 A 7 7 LEU CA C 7 57.800 57.990 -0.190 1
1 81 . 14 1 1 A 7 7 LEU CB C 7 41.700 41.901 -0.201 1
1 85 . 14 1 1 A 7 7 LEU N N 7 121.000 122.199 -1.199 1
1 86 . 14 1 1 A 8 8 LYS H H 8 7.750 7.767 -0.017 1
1 87 . 14 1 1 A 8 8 LYS HA H 8 3.570 4.081 -0.511 1
1 96 . 14 1 1 A 8 8 LYS C C 8 179.400 179.686 -0.286 1
1 97 . 14 1 1 A 8 8 LYS CA C 8 59.000 58.974 0.026 1
1 98 . 14 1 1 A 8 8 LYS CB C 8 32.400 32.053 0.347 1
1 102 . 14 1 1 A 8 8 LYS N N 8 119.700 118.932 0.768 1
1 103 . 14 1 1 A 9 9 HIS H H 9 8.520 7.788 0.732 1
1 104 . 14 1 1 A 9 9 HIS HA H 9 4.050 4.496 -0.446 1
1 107 . 14 1 1 A 9 9 HIS C C 9 176.500 177.738 -1.238 1
1 108 . 14 1 1 A 9 9 HIS CA C 9 59.400 59.548 -0.148 1
1 109 . 14 1 1 A 9 9 HIS CB C 9 29.900 29.766 0.134 1
1 110 . 14 1 1 A 9 9 HIS N N 9 120.500 119.239 1.261 1
1 111 . 14 1 1 A 10 10 TYR H H 10 7.990 8.753 -0.763 1
1 112 . 14 1 1 A 10 10 TYR HA H 10 4.160 4.096 0.064 1
1 119 . 14 1 1 A 10 10 TYR C C 10 177.400 177.213 0.187 1
1 120 . 14 1 1 A 10 10 TYR CA C 10 61.800 61.456 0.344 1
1 121 . 14 1 1 A 10 10 TYR CB C 10 39.500 38.812 0.688 1
1 126 . 14 1 1 A 10 10 TYR N N 10 119.200 119.855 -0.655 1
1 127 . 14 1 1 A 11 11 ILE H H 11 8.710 8.432 0.278 1
1 128 . 14 1 1 A 11 11 ILE HA H 11 3.540 3.561 -0.021 1
1 138 . 14 1 1 A 11 11 ILE CA C 11 61.600 64.415 -2.815 1
1 139 . 14 1 1 A 11 11 ILE CB C 11 36.200 37.787 -1.587 1
1 143 . 14 1 1 A 11 11 ILE N N 11 118.900 120.654 -1.754 1
1 144 . 14 1 1 A 12 12 THR HA H 12 3.840 4.089 -0.249 1
1 149 . 14 1 1 A 12 12 THR C C 12 176.900 176.835 0.065 1
1 150 . 14 1 1 A 12 12 THR CA C 12 66.400 66.536 -0.136 1
1 151 . 14 1 1 A 12 12 THR CB C 12 68.300 68.203 0.097 1
1 153 . 14 1 1 A 13 13 ASN H H 13 7.440 8.357 -0.917 1
1 154 . 14 1 1 A 13 13 ASN HA H 13 4.420 4.420 0.000 1
1 159 . 14 1 1 A 13 13 ASN C C 13 176.700 177.896 -1.196 1
1 160 . 14 1 1 A 13 13 ASN CA C 13 55.900 56.736 -0.836 1
1 161 . 14 1 1 A 13 13 ASN CB C 13 38.600 38.878 -0.278 1
1 163 . 14 1 1 A 13 13 ASN N N 13 118.300 120.377 -2.077 1
1 165 . 14 1 1 A 14 14 LEU H H 14 7.890 7.955 -0.065 1
1 166 . 14 1 1 A 14 14 LEU HA H 14 3.660 3.742 -0.082 1
1 176 . 14 1 1 A 14 14 LEU C C 14 177.900 177.974 -0.074 1
1 177 . 14 1 1 A 14 14 LEU CA C 14 57.600 57.493 0.107 1
1 178 . 14 1 1 A 14 14 LEU CB C 14 42.600 41.213 1.387 1
1 182 . 14 1 1 A 14 14 LEU N N 14 122.100 119.689 2.411 1
1 183 . 14 1 1 A 15 15 PHE H H 15 7.670 7.525 0.145 1
1 184 . 14 1 1 A 15 15 PHE HA H 15 4.490 4.528 -0.038 1
1 191 . 14 1 1 A 15 15 PHE C C 15 173.800 174.627 -0.827 1
1 192 . 14 1 1 A 15 15 PHE CA C 15 57.900 57.154 0.746 1
1 193 . 14 1 1 A 15 15 PHE CB C 15 38.900 39.356 -0.456 1
1 198 . 14 1 1 A 15 15 PHE N N 15 111.800 115.534 -3.734 1
1 199 . 14 1 1 A 16 16 ASN H H 16 7.450 8.117 -0.667 1
1 200 . 14 1 1 A 16 16 ASN HA H 16 4.420 4.467 -0.047 1
1 205 . 14 1 1 A 16 16 ASN C C 16 174.200 174.398 -0.198 1
1 206 . 14 1 1 A 16 16 ASN CA C 16 54.100 54.437 -0.337 1
1 207 . 14 1 1 A 16 16 ASN CB C 16 36.500 36.791 -0.291 1
1 209 . 14 1 1 A 16 16 ASN N N 16 118.500 114.193 4.307 1
1 211 . 14 1 1 A 17 17 LEU H H 17 8.410 7.858 0.552 1
1 212 . 14 1 1 A 17 17 LEU HA H 17 4.630 4.433 0.197 1
1 222 . 14 1 1 A 17 17 LEU CA C 17 52.300 53.415 -1.115 1
1 223 . 14 1 1 A 17 17 LEU CB C 17 41.000 41.398 -0.398 1
1 227 . 14 1 1 A 17 17 LEU N N 17 118.700 119.840 -1.140 1
1 228 . 14 1 1 A 18 18 PRO HA H 18 4.380 4.680 -0.300 1
1 235 . 14 1 1 A 18 18 PRO C C 18 178.600 177.269 1.331 1
1 236 . 14 1 1 A 18 18 PRO CA C 18 63.100 63.139 -0.039 1
1 237 . 14 1 1 A 18 18 PRO CB C 18 31.800 32.014 -0.214 1
1 240 . 14 1 1 A 19 19 ARG H H 19 8.650 8.813 -0.163 1
1 241 . 14 1 1 A 19 19 ARG HA H 19 3.820 4.296 -0.476 1
1 248 . 14 1 1 A 19 19 ARG C C 19 176.500 176.885 -0.385 1
1 249 . 14 1 1 A 19 19 ARG CA C 19 58.100 57.535 0.565 1
1 250 . 14 1 1 A 19 19 ARG CB C 19 30.300 30.572 -0.272 1
1 253 . 14 1 1 A 19 19 ARG N N 19 124.600 122.520 2.080 1
1 254 . 14 1 1 A 20 20 ASP H H 20 8.390 8.359 0.031 1
1 255 . 14 1 1 A 20 20 ASP HA H 20 4.550 4.552 -0.002 1
1 258 . 14 1 1 A 20 20 ASP C C 20 175.700 175.785 -0.085 1
1 259 . 14 1 1 A 20 20 ASP CA C 20 53.000 53.972 -0.972 1
1 260 . 14 1 1 A 20 20 ASP CB C 20 40.400 39.731 0.669 1
1 261 . 14 1 1 A 20 20 ASP N N 20 114.300 116.726 -2.426 1
1 262 . 14 1 1 A 21 21 GLU H H 21 6.780 7.774 -0.994 1
1 263 . 14 1 1 A 21 21 GLU HA H 21 4.150 4.761 -0.611 1
1 268 . 14 1 1 A 21 21 GLU C C 21 175.400 175.850 -0.450 1
1 269 . 14 1 1 A 21 21 GLU CA C 21 56.200 55.528 0.672 1
1 270 . 14 1 1 A 21 21 GLU CB C 21 31.600 31.656 -0.056 1
1 272 . 14 1 1 A 21 21 GLU N N 21 121.600 121.394 0.206 1
1 273 . 14 1 1 A 22 22 LYS H H 22 8.860 8.717 0.143 1
1 274 . 14 1 1 A 22 22 LYS HA H 22 4.160 4.321 -0.161 1
1 283 . 14 1 1 A 22 22 LYS C C 22 176.100 176.011 0.089 1
1 284 . 14 1 1 A 22 22 LYS CA C 22 57.200 56.153 1.047 1
1 285 . 14 1 1 A 22 22 LYS CB C 22 33.000 33.421 -0.421 1
1 289 . 14 1 1 A 22 22 LYS N N 22 128.900 128.262 0.638 1
1 290 . 14 1 1 A 23 23 TRP H H 23 8.750 8.715 0.035 1
1 291 . 14 1 1 A 23 23 TRP HA H 23 5.400 5.059 0.341 1
1 300 . 14 1 1 A 23 23 TRP C C 23 176.500 174.801 1.699 1
1 301 . 14 1 1 A 23 23 TRP CA C 23 54.600 56.568 -1.968 1
1 302 . 14 1 1 A 23 23 TRP CB C 23 31.100 32.392 -1.292 1
1 308 . 14 1 1 A 23 23 TRP N N 23 126.100 126.696 -0.596 1
1 310 . 14 1 1 A 24 24 GLU H H 24 9.040 8.424 0.616 1
1 311 . 14 1 1 A 24 24 GLU HA H 24 4.590 4.829 -0.239 1
1 316 . 14 1 1 A 24 24 GLU C C 24 174.100 174.457 -0.357 1
1 317 . 14 1 1 A 24 24 GLU CA C 24 54.200 54.529 -0.329 1
1 318 . 14 1 1 A 24 24 GLU CB C 24 31.600 31.178 0.422 1
1 320 . 14 1 1 A 24 24 GLU N N 24 122.700 121.635 1.065 1
1 321 . 14 1 1 A 25 25 CYS H H 25 8.740 9.035 -0.295 1
1 322 . 14 1 1 A 25 25 CYS HA H 25 4.870 5.179 -0.309 1
1 325 . 14 1 1 A 25 25 CYS C C 25 174.400 173.727 0.673 1
1 326 . 14 1 1 A 25 25 CYS CA C 25 57.200 56.940 0.260 1
1 327 . 14 1 1 A 25 25 CYS CB C 25 30.200 29.770 0.430 1
1 328 . 14 1 1 A 25 25 CYS N N 25 119.900 127.025 -7.125 1
1 329 . 14 1 1 A 26 26 GLU H H 26 9.220 8.758 0.462 1
1 330 . 14 1 1 A 26 26 GLU HA H 26 4.740 5.111 -0.371 1
1 335 . 14 1 1 A 26 26 GLU C C 26 175.000 174.675 0.325 1
1 336 . 14 1 1 A 26 26 GLU CA C 26 55.100 55.190 -0.090 1
1 337 . 14 1 1 A 26 26 GLU CB C 26 31.700 31.757 -0.057 1
1 339 . 14 1 1 A 26 26 GLU N N 26 131.200 123.398 7.802 1
1 340 . 14 1 1 A 27 27 SER H H 27 8.900 8.832 0.068 1
1 341 . 14 1 1 A 27 27 SER HA H 27 5.750 5.014 0.736 1
1 344 . 14 1 1 A 27 27 SER C C 27 173.600 173.932 -0.332 1
1 345 . 14 1 1 A 27 27 SER CA C 27 56.700 56.852 -0.152 1
1 346 . 14 1 1 A 27 27 SER CB C 27 64.200 64.165 0.035 1
1 347 . 14 1 1 A 27 27 SER N N 27 125.100 120.380 4.720 1
1 348 . 14 1 1 A 28 28 ILE H H 28 8.540 8.665 -0.125 1
1 349 . 14 1 1 A 28 28 ILE HA H 28 4.680 5.020 -0.340 1
1 359 . 14 1 1 A 28 28 ILE C C 28 174.100 173.763 0.337 1
1 360 . 14 1 1 A 28 28 ILE CA C 28 59.800 58.895 0.905 1
1 361 . 14 1 1 A 28 28 ILE CB C 28 42.700 42.329 0.371 1
1 365 . 14 1 1 A 28 28 ILE N N 28 123.200 122.137 1.063 1
1 366 . 14 1 1 A 29 29 GLU H H 29 8.430 8.925 -0.495 1
1 367 . 14 1 1 A 29 29 GLU HA H 29 5.430 5.071 0.359 1
1 372 . 14 1 1 A 29 29 GLU C C 29 176.000 175.467 0.533 1
1 373 . 14 1 1 A 29 29 GLU CA C 29 55.600 54.913 0.687 1
1 374 . 14 1 1 A 29 29 GLU CB C 29 31.200 31.652 -0.452 1
1 376 . 14 1 1 A 29 29 GLU N N 29 123.900 123.503 0.397 1
1 377 . 14 1 1 A 30 30 GLU H H 30 8.850 8.632 0.218 1
1 378 . 14 1 1 A 30 30 GLU HA H 30 4.730 5.008 -0.278 1
1 383 . 14 1 1 A 30 30 GLU C C 30 174.300 176.034 -1.734 1
1 384 . 14 1 1 A 30 30 GLU CA C 30 54.700 54.383 0.317 1
1 385 . 14 1 1 A 30 30 GLU CB C 30 34.400 33.993 0.407 1
1 387 . 14 1 1 A 30 30 GLU N N 30 121.900 126.040 -4.140 1
1 388 . 14 1 1 A 31 31 VAL H H 31 9.260 8.938 0.322 1
1 389 . 14 1 1 A 31 31 VAL HA H 31 4.250 4.082 0.168 1
1 397 . 14 1 1 A 31 31 VAL C C 31 177.700 176.501 1.199 1
1 398 . 14 1 1 A 31 31 VAL CA C 31 62.500 63.465 -0.965 1
1 399 . 14 1 1 A 31 31 VAL CB C 31 31.800 31.853 -0.053 1
1 402 . 14 1 1 A 31 31 VAL N N 31 124.500 122.601 1.899 1
1 403 . 14 1 1 A 32 32 ALA H H 32 9.250 9.347 -0.097 1
1 404 . 14 1 1 A 32 32 ALA HA H 32 3.710 4.056 -0.346 1
1 408 . 14 1 1 A 32 32 ALA C C 32 178.600 178.473 0.127 1
1 409 . 14 1 1 A 32 32 ALA CA C 32 55.800 55.260 0.540 1
1 410 . 14 1 1 A 32 32 ALA CB C 32 19.400 18.432 0.968 1
1 411 . 14 1 1 A 32 32 ALA N N 32 129.900 128.330 1.570 1
1 412 . 14 1 1 A 33 33 ASP H H 33 9.510 8.644 0.866 1
1 413 . 14 1 1 A 33 33 ASP HA H 33 4.180 4.481 -0.301 1
1 416 . 14 1 1 A 33 33 ASP C C 33 176.300 176.311 -0.011 1
1 417 . 14 1 1 A 33 33 ASP CA C 33 54.600 54.992 -0.392 1
1 418 . 14 1 1 A 33 33 ASP CB C 33 39.200 39.631 -0.431 1
1 419 . 14 1 1 A 33 33 ASP N N 33 110.700 115.884 -5.184 1
1 420 . 14 1 1 A 34 34 ASP H H 34 7.830 8.653 -0.823 1
1 421 . 14 1 1 A 34 34 ASP HA H 34 4.650 4.756 -0.106 1
1 424 . 14 1 1 A 34 34 ASP C C 34 176.300 177.006 -0.706 1
1 425 . 14 1 1 A 34 34 ASP CA C 34 55.100 53.828 1.272 1
1 426 . 14 1 1 A 34 34 ASP CB C 34 41.000 41.527 -0.527 1
1 427 . 14 1 1 A 34 34 ASP N N 34 114.700 118.456 -3.756 1
1 428 . 14 1 1 A 35 35 ILE H H 35 7.290 7.558 -0.268 1
1 429 . 14 1 1 A 35 35 ILE HA H 35 4.490 4.469 0.021 1
1 439 . 14 1 1 A 35 35 ILE C C 35 174.100 175.156 -1.056 1
1 440 . 14 1 1 A 35 35 ILE CA C 35 60.700 61.226 -0.526 1
1 441 . 14 1 1 A 35 35 ILE CB C 35 40.600 40.450 0.150 1
1 445 . 14 1 1 A 35 35 ILE N N 35 113.400 112.362 1.038 1
1 446 . 14 1 1 A 36 36 LEU H H 36 7.730 8.478 -0.748 1
1 447 . 14 1 1 A 36 36 LEU HA H 36 4.800 4.722 0.078 1
1 457 . 14 1 1 A 36 36 LEU CA C 36 52.200 51.053 1.147 1
1 458 . 14 1 1 A 36 36 LEU CB C 36 42.700 42.842 -0.142 1
1 462 . 14 1 1 A 36 36 LEU N N 36 120.400 124.796 -4.396 1
1 463 . 14 1 1 A 37 37 PRO HA H 37 4.440 4.558 -0.118 1
1 470 . 14 1 1 A 37 37 PRO C C 37 177.100 177.179 -0.079 1
1 471 . 14 1 1 A 37 37 PRO CA C 37 63.100 63.052 0.048 1
1 472 . 14 1 1 A 37 37 PRO CB C 37 32.700 32.789 -0.089 1
1 475 . 14 1 1 A 38 38 ASP H H 38 8.690 8.776 -0.086 1
1 476 . 14 1 1 A 38 38 ASP HA H 38 4.230 4.222 0.008 1
1 479 . 14 1 1 A 38 38 ASP C C 38 177.800 178.311 -0.511 1
1 480 . 14 1 1 A 38 38 ASP CA C 38 57.900 56.134 1.766 1
1 481 . 14 1 1 A 38 38 ASP CB C 38 42.200 40.005 2.195 1
1 482 . 14 1 1 A 38 38 ASP N N 38 123.800 123.513 0.287 1
1 483 . 14 1 1 A 39 39 GLN H H 39 9.080 7.920 1.160 1
1 484 . 14 1 1 A 39 39 GLN HA H 39 3.990 4.060 -0.070 1
1 491 . 14 1 1 A 39 39 GLN C C 39 176.400 176.257 0.143 1
1 492 . 14 1 1 A 39 39 GLN CA C 39 58.000 58.517 -0.517 1
1 493 . 14 1 1 A 39 39 GLN CB C 39 27.300 28.867 -1.567 1
1 496 . 14 1 1 A 39 39 GLN N N 39 115.100 120.309 -5.209 1
1 498 . 14 1 1 A 40 40 TYR H H 40 7.510 7.852 -0.342 1
1 499 . 14 1 1 A 40 40 TYR HA H 40 4.730 4.705 0.025 1
1 506 . 14 1 1 A 40 40 TYR C C 40 174.200 175.604 -1.404 1
1 507 . 14 1 1 A 40 40 TYR CA C 40 57.000 56.467 0.533 1
1 508 . 14 1 1 A 40 40 TYR CB C 40 39.400 38.550 0.850 1
1 513 . 14 1 1 A 40 40 TYR N N 40 116.800 119.160 -2.360 1
1 514 . 14 1 1 A 41 41 VAL H H 41 7.370 8.054 -0.684 1
1 515 . 14 1 1 A 41 41 VAL HA H 41 4.000 4.018 -0.018 1
1 523 . 14 1 1 A 41 41 VAL C C 41 175.400 176.722 -1.322 1
1 524 . 14 1 1 A 41 41 VAL CA C 41 62.800 63.120 -0.320 1
1 525 . 14 1 1 A 41 41 VAL CB C 41 34.300 34.229 0.071 1
1 528 . 14 1 1 A 41 41 VAL N N 41 116.100 122.993 -6.893 1
1 529 . 14 1 1 A 42 42 ARG H H 42 7.990 8.396 -0.406 1
1 530 . 14 1 1 A 42 42 ARG HA H 42 3.970 4.168 -0.198 1
1 537 . 14 1 1 A 42 42 ARG C C 42 176.600 178.031 -1.431 1
1 538 . 14 1 1 A 42 42 ARG CA C 42 58.500 57.879 0.621 1
1 539 . 14 1 1 A 42 42 ARG CB C 42 29.700 30.519 -0.819 1
1 542 . 14 1 1 A 42 42 ARG N N 42 120.900 120.566 0.334 1
1 543 . 14 1 1 A 43 43 LEU H H 43 8.930 7.820 1.110 1
1 544 . 14 1 1 A 43 43 LEU HA H 43 4.060 3.904 0.156 1
1 554 . 14 1 1 A 43 43 LEU C C 43 176.200 178.028 -1.828 1
1 555 . 14 1 1 A 43 43 LEU CA C 43 56.100 57.835 -1.735 1
1 556 . 14 1 1 A 43 43 LEU CB C 43 40.100 41.696 -1.596 1
1 560 . 14 1 1 A 43 43 LEU N N 43 119.500 120.875 -1.375 1
1 561 . 14 1 1 A 44 44 GLY H H 44 7.890 8.016 -0.126 1
1 562 . 14 1 1 A 44 44 GLY HA2 H 44 3.930 4.037 -0.107 1
1 563 . 14 1 1 A 44 44 GLY HA3 H 44 4.540 4.053 0.487 1
1 564 . 14 1 1 A 44 44 GLY CA C 44 44.900 44.003 0.897 1
1 565 . 14 1 1 A 44 44 GLY N N 44 107.000 105.881 1.119 1
1 566 . 14 1 1 A 45 45 PRO HA H 45 4.360 4.339 0.021 1
1 573 . 14 1 1 A 45 45 PRO C C 45 176.900 177.939 -1.039 1
1 574 . 14 1 1 A 45 45 PRO CA C 45 64.400 64.562 -0.162 1
1 575 . 14 1 1 A 45 45 PRO CB C 45 31.900 31.749 0.151 1
1 578 . 14 1 1 A 46 46 LEU H H 46 8.660 8.105 0.555 1
1 579 . 14 1 1 A 46 46 LEU HA H 46 3.970 3.939 0.031 1
1 589 . 14 1 1 A 46 46 LEU C C 46 176.300 177.222 -0.922 1
1 590 . 14 1 1 A 46 46 LEU CA C 46 55.900 56.577 -0.677 1
1 591 . 14 1 1 A 46 46 LEU CB C 46 43.500 41.358 2.142 1
1 595 . 14 1 1 A 46 46 LEU N N 46 117.000 118.976 -1.976 1
1 596 . 14 1 1 A 47 47 SER H H 47 7.160 7.235 -0.075 1
1 597 . 14 1 1 A 47 47 SER HA H 47 4.080 4.357 -0.277 1
1 600 . 14 1 1 A 47 47 SER C C 47 176.600 175.339 1.261 1
1 601 . 14 1 1 A 47 47 SER CA C 47 59.100 59.889 -0.789 1
1 602 . 14 1 1 A 47 47 SER CB C 47 62.800 62.861 -0.061 1
1 603 . 14 1 1 A 47 47 SER N N 47 110.300 115.681 -5.381 1
1 604 . 14 1 1 A 48 48 ASN H H 48 11.000 9.007 1.993 1
1 605 . 14 1 1 A 48 48 ASN HA H 48 4.090 4.301 -0.211 1
1 610 . 14 1 1 A 48 48 ASN C C 48 174.700 174.082 0.618 1
1 611 . 14 1 1 A 48 48 ASN CA C 48 55.200 53.925 1.275 1
1 612 . 14 1 1 A 48 48 ASN CB C 48 38.300 37.526 0.774 1
1 614 . 14 1 1 A 48 48 ASN N N 48 123.200 122.814 0.386 1
1 616 . 14 1 1 A 49 49 LYS H H 49 7.830 7.372 0.458 1
1 617 . 14 1 1 A 49 49 LYS HA H 49 4.360 4.451 -0.091 1
1 626 . 14 1 1 A 49 49 LYS C C 49 175.100 175.850 -0.750 1
1 627 . 14 1 1 A 49 49 LYS CA C 49 56.100 55.553 0.547 1
1 628 . 14 1 1 A 49 49 LYS CB C 49 33.200 33.550 -0.350 1
1 632 . 14 1 1 A 49 49 LYS N N 49 119.400 118.198 1.202 1
1 633 . 14 1 1 A 50 50 ILE H H 50 8.570 8.794 -0.224 1
1 634 . 14 1 1 A 50 50 ILE HA H 50 4.160 4.581 -0.421 1
1 644 . 14 1 1 A 50 50 ILE C C 50 175.000 175.259 -0.259 1
1 645 . 14 1 1 A 50 50 ILE CA C 50 61.200 60.135 1.065 1
1 646 . 14 1 1 A 50 50 ILE CB C 50 36.900 37.940 -1.040 1
1 650 . 14 1 1 A 50 50 ILE N N 50 123.000 123.699 -0.699 1
1 651 . 14 1 1 A 51 51 LEU H H 51 9.270 8.619 0.651 1
1 652 . 14 1 1 A 51 51 LEU HA H 51 5.170 5.307 -0.137 1
1 662 . 14 1 1 A 51 51 LEU C C 51 176.300 175.716 0.584 1
1 663 . 14 1 1 A 51 51 LEU CA C 51 52.500 53.502 -1.002 1
1 664 . 14 1 1 A 51 51 LEU CB C 51 42.600 44.958 -2.358 1
1 668 . 14 1 1 A 51 51 LEU N N 51 127.000 128.490 -1.490 1
1 669 . 14 1 1 A 52 52 GLN H H 52 9.110 8.333 0.777 1
1 670 . 14 1 1 A 52 52 GLN HA H 52 4.590 4.625 -0.035 1
1 677 . 14 1 1 A 52 52 GLN C C 52 175.000 174.800 0.200 1
1 678 . 14 1 1 A 52 52 GLN CA C 52 56.800 55.642 1.158 1
1 679 . 14 1 1 A 52 52 GLN CB C 52 29.200 29.126 0.074 1
1 682 . 14 1 1 A 52 52 GLN N N 52 122.700 122.153 0.547 1
1 684 . 14 1 1 A 53 53 THR H H 53 9.110 8.424 0.686 1
1 685 . 14 1 1 A 53 53 THR HA H 53 4.730 4.571 0.159 1
1 690 . 14 1 1 A 53 53 THR C C 53 172.500 174.116 -1.616 1
1 691 . 14 1 1 A 53 53 THR CA C 53 60.500 63.306 -2.806 1
1 692 . 14 1 1 A 53 53 THR CB C 53 69.800 69.661 0.139 1
1 694 . 14 1 1 A 53 53 THR N N 53 121.500 121.929 -0.429 1
1 695 . 14 1 1 A 54 54 ASN H H 54 8.210 8.592 -0.382 1
1 696 . 14 1 1 A 54 54 ASN HA H 54 5.400 5.281 0.119 1
1 701 . 14 1 1 A 54 54 ASN C C 54 172.900 173.849 -0.949 1
1 702 . 14 1 1 A 54 54 ASN CA C 54 52.400 52.330 0.070 1
1 703 . 14 1 1 A 54 54 ASN CB C 54 40.900 40.499 0.401 1
1 705 . 14 1 1 A 54 54 ASN N N 54 125.400 124.854 0.546 1
1 707 . 14 1 1 A 55 55 THR H H 55 8.510 8.483 0.027 1
1 708 . 14 1 1 A 55 55 THR HA H 55 5.120 4.792 0.328 1
1 713 . 14 1 1 A 55 55 THR C C 55 172.800 173.794 -0.994 1
1 714 . 14 1 1 A 55 55 THR CA C 55 61.400 62.147 -0.747 1
1 715 . 14 1 1 A 55 55 THR CB C 55 69.700 70.130 -0.430 1
1 717 . 14 1 1 A 55 55 THR N N 55 119.300 121.072 -1.772 1
1 718 . 14 1 1 A 56 56 TYR H H 56 8.460 9.135 -0.675 1
1 719 . 14 1 1 A 56 56 TYR HA H 56 5.260 5.438 -0.178 1
1 726 . 14 1 1 A 56 56 TYR C C 56 173.400 175.133 -1.733 1
1 727 . 14 1 1 A 56 56 TYR CA C 56 57.500 56.225 1.275 1
1 728 . 14 1 1 A 56 56 TYR CB C 56 41.400 40.781 0.619 1
1 733 . 14 1 1 A 56 56 TYR N N 56 125.400 126.382 -0.982 1
1 734 . 14 1 1 A 57 57 TYR H H 57 8.450 8.489 -0.039 1
1 735 . 14 1 1 A 57 57 TYR HA H 57 4.530 5.733 -1.203 1
1 742 . 14 1 1 A 57 57 TYR C C 57 172.400 173.516 -1.116 1
1 743 . 14 1 1 A 57 57 TYR CA C 57 56.600 55.757 0.843 1
1 744 . 14 1 1 A 57 57 TYR CB C 57 41.700 42.172 -0.472 1
1 749 . 14 1 1 A 57 57 TYR N N 57 113.900 120.654 -6.754 1
1 750 . 14 1 1 A 58 58 SER H H 58 7.100 8.794 -1.694 1
1 751 . 14 1 1 A 58 58 SER HA H 58 4.750 4.952 -0.202 1
1 754 . 14 1 1 A 58 58 SER C C 58 173.800 173.962 -0.162 1
1 755 . 14 1 1 A 58 58 SER CA C 58 56.600 56.027 0.573 1
1 756 . 14 1 1 A 58 58 SER CB C 58 65.600 65.657 -0.057 1
1 757 . 14 1 1 A 58 58 SER N N 58 114.200 115.467 -1.267 1
1 758 . 14 1 1 A 59 59 ASP H H 59 9.140 8.805 0.335 1
1 759 . 14 1 1 A 59 59 ASP HA H 59 4.550 4.307 0.243 1
1 762 . 14 1 1 A 59 59 ASP C C 59 179.000 177.864 1.136 1
1 763 . 14 1 1 A 59 59 ASP CA C 59 58.500 57.847 0.653 1
1 764 . 14 1 1 A 59 59 ASP CB C 59 40.400 41.498 -1.098 1
1 765 . 14 1 1 A 59 59 ASP N N 59 121.800 126.036 -4.236 1
1 766 . 14 1 1 A 60 60 THR H H 60 9.060 8.303 0.757 1
1 767 . 14 1 1 A 60 60 THR HA H 60 4.000 3.985 0.015 1
1 772 . 14 1 1 A 60 60 THR C C 60 178.000 177.509 0.491 1
1 773 . 14 1 1 A 60 60 THR CA C 60 67.300 65.791 1.509 1
1 774 . 14 1 1 A 60 60 THR CB C 60 67.300 68.268 -0.968 1
1 776 . 14 1 1 A 60 60 THR N N 60 114.800 113.620 1.180 1
1 777 . 14 1 1 A 61 61 LEU H H 61 7.950 7.983 -0.033 1
1 778 . 14 1 1 A 61 61 LEU HA H 61 3.610 3.701 -0.091 1
1 788 . 14 1 1 A 61 61 LEU C C 61 178.900 178.902 -0.002 1
1 789 . 14 1 1 A 61 61 LEU CA C 61 58.600 57.532 1.068 1
1 790 . 14 1 1 A 61 61 LEU CB C 61 39.500 41.650 -2.150 1
1 794 . 14 1 1 A 61 61 LEU N N 61 126.100 122.632 3.468 1
1 795 . 14 1 1 A 62 62 HIS H H 62 8.260 8.423 -0.163 1
1 796 . 14 1 1 A 62 62 HIS HA H 62 4.470 3.954 0.516 1
1 800 . 14 1 1 A 62 62 HIS C C 62 178.900 177.415 1.485 1
1 801 . 14 1 1 A 62 62 HIS CA C 62 58.600 60.275 -1.675 1
1 802 . 14 1 1 A 62 62 HIS CB C 62 29.500 29.523 -0.023 1
1 804 . 14 1 1 A 62 62 HIS N N 62 116.000 118.143 -2.143 1
1 805 . 14 1 1 A 63 63 LYS H H 63 7.790 7.961 -0.171 1
1 806 . 14 1 1 A 63 63 LYS HA H 63 3.960 3.826 0.134 1
1 815 . 14 1 1 A 63 63 LYS C C 63 177.900 179.019 -1.119 1
1 816 . 14 1 1 A 63 63 LYS CA C 63 59.200 59.505 -0.305 1
1 817 . 14 1 1 A 63 63 LYS CB C 63 32.400 32.066 0.334 1
1 821 . 14 1 1 A 63 63 LYS N N 63 119.100 118.764 0.336 1
1 822 . 14 1 1 A 64 64 SER H H 64 7.580 7.498 0.082 1
1 823 . 14 1 1 A 64 64 SER HA H 64 4.260 4.333 -0.073 1
1 826 . 14 1 1 A 64 64 SER C C 64 172.100 173.115 -1.015 1
1 827 . 14 1 1 A 64 64 SER CA C 64 59.300 58.386 0.914 1
1 828 . 14 1 1 A 64 64 SER CB C 64 63.600 63.054 0.546 1
1 829 . 14 1 1 A 64 64 SER N N 64 112.470 113.194 -0.724 1
1 830 . 14 1 1 A 65 65 ASN H H 65 7.760 7.581 0.179 1
1 831 . 14 1 1 A 65 65 ASN HA H 65 3.870 4.045 -0.175 1
1 836 . 14 1 1 A 65 65 ASN C C 65 171.100 173.543 -2.443 1
1 837 . 14 1 1 A 65 65 ASN CA C 65 54.300 54.416 -0.116 1
1 838 . 14 1 1 A 65 65 ASN CB C 65 37.500 36.655 0.845 1
1 840 . 14 1 1 A 65 65 ASN N N 65 117.600 116.563 1.037 1
1 842 . 14 1 1 A 66 66 ILE H H 66 6.820 6.774 0.046 1
1 843 . 14 1 1 A 66 66 ILE HA H 66 4.590 4.597 -0.007 1
1 853 . 14 1 1 A 66 66 ILE C C 66 174.000 173.728 0.272 1
1 854 . 14 1 1 A 66 66 ILE CA C 66 58.200 59.989 -1.789 1
1 855 . 14 1 1 A 66 66 ILE CB C 66 40.200 40.343 -0.143 1
1 859 . 14 1 1 A 66 66 ILE N N 66 113.900 117.820 -3.920 1
1 860 . 14 1 1 A 67 67 TYR H H 67 8.530 7.952 0.578 1
1 861 . 14 1 1 A 67 67 TYR HA H 67 5.050 5.192 -0.142 1
1 868 . 14 1 1 A 67 67 TYR CA C 67 54.000 54.926 -0.926 1
1 869 . 14 1 1 A 67 67 TYR CB C 67 39.400 39.272 0.128 1
1 874 . 14 1 1 A 67 67 TYR N N 67 120.200 125.273 -5.073 1
1 875 . 14 1 1 A 68 68 PRO HA H 68 5.120 4.636 0.484 1
1 882 . 14 1 1 A 68 68 PRO C C 68 174.600 176.075 -1.475 1
1 883 . 14 1 1 A 68 68 PRO CA C 68 61.500 63.294 -1.794 1
1 884 . 14 1 1 A 68 68 PRO CB C 68 32.200 32.367 -0.167 1
1 887 . 14 1 1 A 69 69 PHE H H 69 8.870 9.072 -0.202 1
1 888 . 14 1 1 A 69 69 PHE HA H 69 6.330 5.220 1.110 1
1 896 . 14 1 1 A 69 69 PHE C C 69 173.000 174.794 -1.794 1
1 897 . 14 1 1 A 69 69 PHE CA C 69 56.300 56.914 -0.614 1
1 898 . 14 1 1 A 69 69 PHE CB C 69 42.900 42.064 0.836 1
1 903 . 14 1 1 A 69 69 PHE N N 69 118.400 124.165 -5.765 1
1 904 . 14 1 1 A 70 70 ILE H H 70 9.060 8.690 0.370 1
1 905 . 14 1 1 A 70 70 ILE HA H 70 4.840 4.794 0.046 1
1 915 . 14 1 1 A 70 70 ILE C C 70 175.700 174.569 1.131 1
1 916 . 14 1 1 A 70 70 ILE CA C 70 61.900 60.450 1.450 1
1 917 . 14 1 1 A 70 70 ILE CB C 70 43.000 41.920 1.080 1
1 921 . 14 1 1 A 70 70 ILE N N 70 117.700 126.821 -9.121 1
1 922 . 14 1 1 A 71 71 LEU H H 71 9.320 8.780 0.540 1
1 923 . 14 1 1 A 71 71 LEU HA H 71 5.720 5.104 0.616 1
1 933 . 14 1 1 A 71 71 LEU C C 71 175.600 175.773 -0.173 1
1 934 . 14 1 1 A 71 71 LEU CA C 71 52.400 54.205 -1.805 1
1 935 . 14 1 1 A 71 71 LEU CB C 71 43.700 43.846 -0.146 1
1 939 . 14 1 1 A 71 71 LEU N N 71 124.800 127.031 -2.231 1
1 940 . 14 1 1 A 72 72 TYR H H 72 9.250 8.996 0.254 1
1 941 . 14 1 1 A 72 72 TYR HA H 72 5.350 5.319 0.031 1
1 948 . 14 1 1 A 72 72 TYR C C 72 174.100 174.722 -0.622 1
1 949 . 14 1 1 A 72 72 TYR CA C 72 57.300 56.833 0.467 1
1 950 . 14 1 1 A 72 72 TYR CB C 72 44.500 42.076 2.424 1
1 955 . 14 1 1 A 72 72 TYR N N 72 120.700 122.260 -1.560 1
1 956 . 14 1 1 A 73 73 TYR H H 73 9.250 9.048 0.202 1
1 957 . 14 1 1 A 73 73 TYR HA H 73 5.110 5.006 0.104 1
1 964 . 14 1 1 A 73 73 TYR C C 73 174.500 175.220 -0.720 1
1 965 . 14 1 1 A 73 73 TYR CA C 73 56.500 57.498 -0.998 1
1 966 . 14 1 1 A 73 73 TYR CB C 73 40.400 41.816 -1.416 1
1 971 . 14 1 1 A 73 73 TYR N N 73 120.300 124.510 -4.210 1
1 972 . 14 1 1 A 74 74 GLN H H 74 9.310 8.653 0.657 1
1 973 . 14 1 1 A 74 74 GLN HA H 74 3.530 3.696 -0.166 1
1 980 . 14 1 1 A 74 74 GLN C C 74 175.400 175.662 -0.262 1
1 981 . 14 1 1 A 74 74 GLN CA C 74 57.200 58.162 -0.962 1
1 982 . 14 1 1 A 74 74 GLN CB C 74 25.500 27.022 -1.522 1
1 985 . 14 1 1 A 74 74 GLN N N 74 126.000 125.952 0.048 1
1 987 . 14 1 1 A 75 75 LYS H H 75 8.530 8.587 -0.057 1
1 988 . 14 1 1 A 75 75 LYS HA H 75 3.820 4.609 -0.789 1
1 997 . 14 1 1 A 75 75 LYS C C 75 175.500 175.773 -0.273 1
1 998 . 14 1 1 A 75 75 LYS CA C 75 57.300 56.828 0.472 1
1 999 . 14 1 1 A 75 75 LYS CB C 75 30.900 35.098 -4.198 1
1 1003 . 14 1 1 A 75 75 LYS N N 75 113.600 117.028 -3.428 1
1 1004 . 14 1 1 A 76 76 GLN H H 76 8.550 7.401 1.149 1
1 1005 . 14 1 1 A 76 76 GLN HA H 76 4.470 4.864 -0.394 1
1 1012 . 14 1 1 A 76 76 GLN C C 76 175.400 175.626 -0.226 1
1 1013 . 14 1 1 A 76 76 GLN CA C 76 54.700 54.931 -0.231 1
1 1014 . 14 1 1 A 76 76 GLN CB C 76 29.900 30.584 -0.684 1
1 1017 . 14 1 1 A 76 76 GLN N N 76 122.200 120.935 1.265 1
1 1019 . 14 1 1 A 77 77 LEU H H 77 8.860 8.534 0.326 1
1 1020 . 14 1 1 A 77 77 LEU HA H 77 3.940 4.548 -0.608 1
1 1030 . 14 1 1 A 77 77 LEU C C 77 175.300 177.402 -2.102 1
1 1031 . 14 1 1 A 77 77 LEU CA C 77 56.800 53.992 2.808 1
1 1032 . 14 1 1 A 77 77 LEU CB C 77 41.800 43.459 -1.659 1
1 1036 . 14 1 1 A 77 77 LEU N N 77 128.900 121.255 7.645 1
1 1037 . 14 1 1 A 78 78 ILE H H 78 8.880 8.710 0.170 1
1 1038 . 14 1 1 A 78 78 ILE HA H 78 4.810 4.514 0.296 1
1 1048 . 14 1 1 A 78 78 ILE C C 78 174.600 175.942 -1.342 1
1 1049 . 14 1 1 A 78 78 ILE CA C 78 58.300 62.349 -4.049 1
1 1050 . 14 1 1 A 78 78 ILE CB C 78 38.270 39.427 -1.157 1
1 1054 . 14 1 1 A 78 78 ILE N N 78 126.900 119.446 7.454 1
1 1055 . 14 1 1 A 79 79 ALA H H 79 7.940 7.510 0.430 1
1 1056 . 14 1 1 A 79 79 ALA HA H 79 5.390 4.749 0.641 1
1 1060 . 14 1 1 A 79 79 ALA C C 79 175.300 175.261 0.039 1
1 1061 . 14 1 1 A 79 79 ALA CA C 79 51.600 51.695 -0.095 1
1 1062 . 14 1 1 A 79 79 ALA CB C 79 24.000 22.606 1.394 1
1 1063 . 14 1 1 A 79 79 ALA N N 79 115.000 118.713 -3.713 1
1 1064 . 14 1 1 A 80 80 ILE H H 80 8.580 8.463 0.117 1
1 1065 . 14 1 1 A 80 80 ILE HA H 80 4.840 5.270 -0.430 1
1 1075 . 14 1 1 A 80 80 ILE C C 80 175.000 175.931 -0.931 1
1 1076 . 14 1 1 A 80 80 ILE CA C 80 60.300 59.740 0.560 1
1 1077 . 14 1 1 A 80 80 ILE CB C 80 42.800 41.708 1.092 1
1 1081 . 14 1 1 A 80 80 ILE N N 80 117.900 120.417 -2.517 1
1 1082 . 14 1 1 A 81 81 GLY H H 81 8.200 8.086 0.114 1
1 1083 . 14 1 1 A 81 81 GLY HA2 H 81 3.750 4.043 -0.293 1
1 1084 . 14 1 1 A 81 81 GLY HA3 H 81 4.070 4.247 -0.177 1
1 1085 . 14 1 1 A 81 81 GLY C C 81 169.100 172.508 -3.408 1
1 1086 . 14 1 1 A 81 81 GLY CA C 81 46.600 45.788 0.812 1
1 1087 . 14 1 1 A 81 81 GLY N N 81 116.400 112.663 3.737 1
1 1088 . 14 1 1 A 82 82 PHE H H 82 8.210 8.191 0.019 1
1 1089 . 14 1 1 A 82 82 PHE HA H 82 5.340 5.746 -0.406 1
1 1094 . 14 1 1 A 82 82 PHE C C 82 172.400 173.878 -1.478 1
1 1095 . 14 1 1 A 82 82 PHE CA C 82 56.300 55.314 0.986 1
1 1096 . 14 1 1 A 82 82 PHE CB C 82 40.100 42.391 -2.291 1
1 1099 . 14 1 1 A 82 82 PHE N N 82 114.500 115.598 -1.098 1
1 1100 . 14 1 1 A 83 83 ILE H H 83 8.490 8.809 -0.319 1
1 1101 . 14 1 1 A 83 83 ILE HA H 83 4.740 4.502 0.238 1
1 1111 . 14 1 1 A 83 83 ILE C C 83 175.200 174.335 0.865 1
1 1112 . 14 1 1 A 83 83 ILE CA C 83 60.400 60.283 0.117 1
1 1113 . 14 1 1 A 83 83 ILE CB C 83 39.500 39.197 0.303 1
1 1117 . 14 1 1 A 83 83 ILE N N 83 123.400 122.726 0.674 1
1 1118 . 14 1 1 A 84 84 ASP H H 84 8.550 8.793 -0.243 1
1 1119 . 14 1 1 A 84 84 ASP HA H 84 5.170 4.847 0.323 1
1 1122 . 14 1 1 A 84 84 ASP C C 84 178.600 175.896 2.704 1
1 1123 . 14 1 1 A 84 84 ASP CA C 84 52.200 54.243 -2.043 1
1 1124 . 14 1 1 A 84 84 ASP CB C 84 42.400 42.053 0.347 1
1 1125 . 14 1 1 A 84 84 ASP N N 84 126.900 128.133 -1.233 1
1 1126 . 14 1 1 A 85 85 GLU H H 85 9.250 8.788 0.462 1
1 1127 . 14 1 1 A 85 85 GLU HA H 85 4.350 3.989 0.361 1
1 1132 . 14 1 1 A 85 85 GLU C C 85 176.800 176.674 0.126 1
1 1133 . 14 1 1 A 85 85 GLU CA C 85 58.400 58.876 -0.476 1
1 1134 . 14 1 1 A 85 85 GLU CB C 85 28.700 28.450 0.250 1
1 1136 . 14 1 1 A 85 85 GLU N N 85 118.000 122.277 -4.277 1
1 1137 . 14 1 1 A 86 86 ASN H H 86 8.280 8.769 -0.489 1
1 1138 . 14 1 1 A 86 86 ASN HA H 86 4.760 4.992 -0.232 1
1 1143 . 14 1 1 A 86 86 ASN C C 86 174.600 174.668 -0.068 1
1 1144 . 14 1 1 A 86 86 ASN CA C 86 52.800 53.844 -1.044 1
1 1145 . 14 1 1 A 86 86 ASN CB C 86 38.900 40.777 -1.877 1
1 1147 . 14 1 1 A 86 86 ASN N N 86 118.300 122.911 -4.611 1
1 1149 . 14 1 1 A 87 87 HIS H H 87 8.570 7.603 0.967 1
1 1150 . 14 1 1 A 87 87 HIS HA H 87 3.940 4.610 -0.670 1
1 1154 . 14 1 1 A 87 87 HIS C C 87 173.600 173.385 0.215 1
1 1155 . 14 1 1 A 87 87 HIS CA C 87 57.000 54.582 2.418 1
1 1156 . 14 1 1 A 87 87 HIS CB C 87 26.700 30.895 -4.195 1
1 1158 . 14 1 1 A 87 87 HIS N N 87 114.000 114.989 -0.989 1
1 1159 . 14 1 1 A 88 88 ASP H H 88 8.210 8.761 -0.551 1
1 1160 . 14 1 1 A 88 88 ASP HA H 88 4.840 3.948 0.892 1
1 1163 . 14 1 1 A 88 88 ASP C C 88 174.800 174.760 0.040 1
1 1164 . 14 1 1 A 88 88 ASP CA C 88 53.900 54.822 -0.922 1
1 1165 . 14 1 1 A 88 88 ASP CB C 88 41.500 39.008 2.492 1
1 1166 . 14 1 1 A 88 88 ASP N N 88 120.300 117.146 3.154 1
1 1167 . 14 1 1 A 89 89 MET H H 89 8.550 7.712 0.838 1
1 1168 . 14 1 1 A 89 89 MET HA H 89 4.450 4.368 0.082 1
1 1176 . 14 1 1 A 89 89 MET C C 89 173.400 174.415 -1.015 1
1 1177 . 14 1 1 A 89 89 MET CA C 89 55.800 54.852 0.948 1
1 1178 . 14 1 1 A 89 89 MET CB C 89 34.700 33.568 1.132 1
1 1181 . 14 1 1 A 89 89 MET N N 89 120.400 115.695 4.705 1
1 1182 . 14 1 1 A 90 90 ASP H H 90 8.420 7.457 0.963 1
1 1183 . 14 1 1 A 90 90 ASP HA H 90 4.580 5.024 -0.444 1
1 1186 . 14 1 1 A 90 90 ASP C C 90 174.600 174.025 0.575 1
1 1187 . 14 1 1 A 90 90 ASP CA C 90 52.300 52.187 0.113 1
1 1188 . 14 1 1 A 90 90 ASP CB C 90 41.800 44.345 -2.545 1
1 1189 . 14 1 1 A 90 90 ASP N N 90 126.900 122.374 4.526 1
1 1190 . 14 1 1 A 91 91 PHE H H 91 8.350 8.813 -0.463 1
1 1191 . 14 1 1 A 91 91 PHE HA H 91 4.780 5.208 -0.428 1
1 1199 . 14 1 1 A 91 91 PHE C C 91 175.600 175.808 -0.208 1
1 1200 . 14 1 1 A 91 91 PHE CA C 91 58.200 56.779 1.421 1
1 1201 . 14 1 1 A 91 91 PHE CB C 91 41.400 38.592 2.808 1
1 1207 . 14 1 1 A 91 91 PHE N N 91 118.600 123.509 -4.909 1
1 1208 . 14 1 1 A 92 92 LEU H H 92 9.060 8.842 0.218 1
1 1209 . 14 1 1 A 92 92 LEU HA H 92 4.330 4.224 0.106 1
1 1219 . 14 1 1 A 92 92 LEU C C 92 175.700 176.627 -0.927 1
1 1220 . 14 1 1 A 92 92 LEU CA C 92 55.200 57.074 -1.874 1
1 1221 . 14 1 1 A 92 92 LEU CB C 92 43.500 42.487 1.013 1
1 1225 . 14 1 1 A 92 92 LEU N N 92 121.100 127.032 -5.932 1
1 1226 . 14 1 1 A 93 93 TYR H H 93 7.970 7.701 0.269 1
1 1227 . 14 1 1 A 93 93 TYR HA H 93 4.780 4.847 -0.067 1
1 1234 . 14 1 1 A 93 93 TYR C C 93 172.800 173.083 -0.283 1
1 1235 . 14 1 1 A 93 93 TYR CA C 93 57.600 57.372 0.228 1
1 1236 . 14 1 1 A 93 93 TYR CB C 93 42.500 41.557 0.943 1
1 1241 . 14 1 1 A 93 93 TYR N N 93 118.600 117.084 1.516 1
1 1242 . 14 1 1 A 94 94 LEU H H 94 8.220 8.507 -0.287 1
1 1243 . 14 1 1 A 94 94 LEU HA H 94 5.060 5.108 -0.048 1
1 1253 . 14 1 1 A 94 94 LEU C C 94 171.900 174.344 -2.444 1
1 1254 . 14 1 1 A 94 94 LEU CA C 94 55.100 53.143 1.957 1
1 1255 . 14 1 1 A 94 94 LEU CB C 94 44.800 45.277 -0.477 1
1 1259 . 14 1 1 A 94 94 LEU N N 94 128.600 130.138 -1.538 1
1 1260 . 14 1 1 A 95 95 HIS H H 95 9.720 8.782 0.938 1
1 1261 . 14 1 1 A 95 95 HIS HA H 95 4.570 5.210 -0.640 1
1 1266 . 14 1 1 A 95 95 HIS C C 95 173.100 173.239 -0.139 1
1 1267 . 14 1 1 A 95 95 HIS CA C 95 55.500 53.334 2.166 1
1 1268 . 14 1 1 A 95 95 HIS CB C 95 35.900 32.433 3.467 1
1 1271 . 14 1 1 A 95 95 HIS N N 95 133.000 126.433 6.567 1
1 1272 . 14 1 1 A 96 96 ASN H H 96 7.670 9.037 -1.367 1
1 1273 . 14 1 1 A 96 96 ASN HA H 96 4.930 5.030 -0.100 1
1 1278 . 14 1 1 A 96 96 ASN C C 96 176.100 175.306 0.794 1
1 1279 . 14 1 1 A 96 96 ASN CA C 96 51.000 51.463 -0.463 1
1 1280 . 14 1 1 A 96 96 ASN CB C 96 38.500 39.120 -0.620 1
1 1281 . 14 1 1 A 96 96 ASN N N 96 118.600 126.783 -8.183 1
1 1283 . 14 1 1 A 97 97 THR H H 97 10.580 8.779 1.801 1
1 1284 . 14 1 1 A 97 97 THR HA H 97 4.090 4.117 -0.027 1
1 1289 . 14 1 1 A 97 97 THR C C 97 174.600 174.510 0.090 1
1 1290 . 14 1 1 A 97 97 THR CA C 97 67.000 64.082 2.918 1
1 1291 . 14 1 1 A 97 97 THR CB C 97 68.300 68.330 -0.030 1
1 1293 . 14 1 1 A 97 97 THR N N 97 116.300 120.676 -4.376 1
1 1294 . 14 1 1 A 98 98 VAL H H 98 8.440 8.542 -0.102 1
1 1295 . 14 1 1 A 98 98 VAL HA H 98 4.180 4.540 -0.360 1
1 1303 . 14 1 1 A 98 98 VAL C C 98 174.800 176.139 -1.339 1
1 1304 . 14 1 1 A 98 98 VAL CA C 98 64.400 61.432 2.968 1
1 1305 . 14 1 1 A 98 98 VAL CB C 98 33.100 32.660 0.440 1
1 1308 . 14 1 1 A 98 98 VAL N N 98 123.900 124.703 -0.803 1
1 1309 . 14 1 1 A 99 99 MET H H 99 8.590 8.665 -0.075 1
1 1310 . 14 1 1 A 99 99 MET HA H 99 4.720 4.919 -0.199 1
1 1318 . 14 1 1 A 99 99 MET CA C 99 52.400 52.563 -0.163 1
1 1319 . 14 1 1 A 99 99 MET CB C 99 34.100 32.505 1.595 1
1 1322 . 14 1 1 A 99 99 MET N N 99 118.700 118.958 -0.258 1
1 1323 . 14 1 1 A 100 100 PRO HA H 100 4.210 4.537 -0.327 1
1 1330 . 14 1 1 A 100 100 PRO C C 100 175.900 176.200 -0.300 1
1 1331 . 14 1 1 A 100 100 PRO CA C 100 62.100 63.208 -1.108 1
1 1332 . 14 1 1 A 100 100 PRO CB C 100 31.000 32.111 -1.111 1
1 1335 . 14 1 1 A 101 101 LEU H H 101 9.010 8.583 0.427 1
1 1336 . 14 1 1 A 101 101 LEU HA H 101 4.310 4.312 -0.002 1
1 1346 . 14 1 1 A 101 101 LEU C C 101 176.900 178.378 -1.478 1
1 1347 . 14 1 1 A 101 101 LEU CA C 101 55.000 56.227 -1.227 1
1 1348 . 14 1 1 A 101 101 LEU CB C 101 42.800 41.927 0.873 1
1 1352 . 14 1 1 A 101 101 LEU N N 101 124.000 120.840 3.160 1
1 1353 . 14 1 1 A 102 102 LEU H H 102 7.620 7.727 -0.107 1
1 1354 . 14 1 1 A 102 102 LEU HA H 102 4.360 3.902 0.458 1
1 1364 . 14 1 1 A 102 102 LEU C C 102 174.800 176.774 -1.974 1
1 1365 . 14 1 1 A 102 102 LEU CA C 102 54.900 58.059 -3.159 1
1 1366 . 14 1 1 A 102 102 LEU CB C 102 45.300 41.545 3.755 1
1 1370 . 14 1 1 A 102 102 LEU N N 102 119.000 118.067 0.933 1
1 1371 . 14 1 1 A 103 103 ASP H H 103 9.120 7.833 1.287 1
1 1372 . 14 1 1 A 103 103 ASP HA H 103 5.100 3.377 1.723 1
1 1375 . 14 1 1 A 103 103 ASP C C 103 174.500 175.071 -0.571 1
1 1376 . 14 1 1 A 103 103 ASP CA C 103 54.900 54.272 0.628 1
1 1377 . 14 1 1 A 103 103 ASP CB C 103 41.000 37.828 3.172 1
1 1378 . 14 1 1 A 103 103 ASP N N 103 120.700 117.729 2.971 1
1 1379 . 14 1 1 A 104 104 GLN H H 104 8.990 8.546 0.444 1
1 1380 . 14 1 1 A 104 104 GLN HA H 104 4.710 4.841 -0.131 1
1 1387 . 14 1 1 A 104 104 GLN C C 104 176.100 176.236 -0.136 1
1 1388 . 14 1 1 A 104 104 GLN CA C 104 54.100 54.924 -0.824 1
1 1389 . 14 1 1 A 104 104 GLN CB C 104 28.500 30.444 -1.944 1
1 1392 . 14 1 1 A 104 104 GLN N N 104 125.400 120.167 5.233 1
1 1394 . 14 1 1 A 105 105 ARG H H 105 8.380 8.925 -0.545 1
1 1395 . 14 1 1 A 105 105 ARG HA H 105 3.510 3.947 -0.437 1
1 1402 . 14 1 1 A 105 105 ARG C C 105 177.500 177.951 -0.451 1
1 1403 . 14 1 1 A 105 105 ARG CA C 105 60.200 59.665 0.535 1
1 1404 . 14 1 1 A 105 105 ARG CB C 105 29.400 29.648 -0.248 1
1 1407 . 14 1 1 A 105 105 ARG N N 105 117.700 126.053 -8.353 1
1 1408 . 14 1 1 A 106 106 TYR H H 106 7.800 8.013 -0.213 1
1 1409 . 14 1 1 A 106 106 TYR HA H 106 4.360 4.385 -0.025 1
1 1416 . 14 1 1 A 106 106 TYR C C 106 176.800 178.402 -1.602 1
1 1417 . 14 1 1 A 106 106 TYR CA C 106 58.600 60.326 -1.726 1
1 1418 . 14 1 1 A 106 106 TYR CB C 106 36.000 38.360 -2.360 1
1 1423 . 14 1 1 A 106 106 TYR N N 106 118.100 119.249 -1.149 1
1 1424 . 14 1 1 A 107 107 LEU H H 107 7.170 8.314 -1.144 1
1 1425 . 14 1 1 A 107 107 LEU HA H 107 3.970 3.926 0.044 1
1 1435 . 14 1 1 A 107 107 LEU C C 107 178.300 179.055 -0.755 1
1 1436 . 14 1 1 A 107 107 LEU CA C 107 56.600 57.915 -1.315 1
1 1437 . 14 1 1 A 107 107 LEU CB C 107 41.800 41.679 0.121 1
1 1441 . 14 1 1 A 107 107 LEU N N 107 121.900 120.425 1.475 1
1 1442 . 14 1 1 A 108 108 LEU H H 108 7.680 7.833 -0.153 1
1 1443 . 14 1 1 A 108 108 LEU HA H 108 4.070 3.620 0.450 1
1 1453 . 14 1 1 A 108 108 LEU C C 108 177.500 177.982 -0.482 1
1 1454 . 14 1 1 A 108 108 LEU CA C 108 55.400 57.682 -2.282 1
1 1455 . 14 1 1 A 108 108 LEU CB C 108 41.500 41.690 -0.190 1
1 1459 . 14 1 1 A 108 108 LEU N N 108 115.400 119.080 -3.680 1
1 1460 . 14 1 1 A 109 109 THR H H 109 7.510 8.047 -0.537 1
1 1461 . 14 1 1 A 109 109 THR HA H 109 4.310 4.557 -0.247 1
1 1466 . 14 1 1 A 109 109 THR C C 109 175.300 175.192 0.108 1
1 1467 . 14 1 1 A 109 109 THR CA C 109 61.600 61.688 -0.088 1
1 1468 . 14 1 1 A 109 109 THR CB C 109 69.500 69.629 -0.129 1
1 1470 . 14 1 1 A 109 109 THR N N 109 108.800 106.636 2.164 1
1 1471 . 14 1 1 A 110 110 GLY H H 110 8.010 7.860 0.150 1
1 1472 . 14 1 1 A 110 110 GLY HA2 H 110 3.950 4.246 -0.296 1
1 1473 . 14 1 1 A 110 110 GLY HA3 H 110 4.030 4.282 -0.252 1
1 1474 . 14 1 1 A 110 110 GLY C C 110 174.500 174.145 0.355 1
1 1475 . 14 1 1 A 110 110 GLY CA C 110 45.400 44.738 0.662 1
1 1476 . 14 1 1 A 110 110 GLY N N 110 110.100 111.345 -1.245 1
1 1477 . 14 1 1 A 111 111 GLY H H 111 8.310 8.499 -0.189 1
1 1478 . 14 1 1 A 111 111 GLY HA2 H 111 3.930 4.097 -0.167 1
1 1479 . 14 1 1 A 111 111 GLY HA3 H 111 3.930 4.139 -0.209 1
1 1480 . 14 1 1 A 111 111 GLY C C 111 173.700 172.109 1.591 1
1 1481 . 14 1 1 A 111 111 GLY CA C 111 45.400 45.468 -0.068 1
1 1482 . 14 1 1 A 111 111 GLY N N 111 108.300 107.465 0.835 1
1 1483 . 14 1 1 A 112 112 GLN H H 112 8.280 8.642 -0.362 1
1 1484 . 14 1 1 A 112 112 GLN HA H 112 4.270 5.025 -0.755 1
1 1491 . 14 1 1 A 112 112 GLN C C 112 175.700 175.506 0.194 1
1 1492 . 14 1 1 A 112 112 GLN CA C 112 55.600 54.419 1.181 1
1 1493 . 14 1 1 A 112 112 GLN CB C 112 29.200 30.908 -1.708 1
1 1496 . 14 1 1 A 112 112 GLN N N 112 119.200 122.261 -3.061 1
1 1498 . 14 1 1 A 113 113 LEU H H 113 8.260 8.658 -0.398 1
1 1499 . 14 1 1 A 113 113 LEU HA H 113 4.180 4.321 -0.141 1
1 1509 . 14 1 1 A 113 113 LEU C C 113 177.000 177.219 -0.219 1
1 1510 . 14 1 1 A 113 113 LEU CA C 113 55.100 54.938 0.162 1
1 1511 . 14 1 1 A 113 113 LEU CB C 113 42.100 42.161 -0.061 1
1 1515 . 14 1 1 A 113 113 LEU N N 113 122.800 126.751 -3.951 1
1 1516 . 14 1 1 A 114 114 GLU H H 114 8.290 8.874 -0.584 1
1 1517 . 14 1 1 A 114 114 GLU HA H 114 4.140 4.838 -0.698 1
1 1522 . 14 1 1 A 114 114 GLU CA C 114 56.300 55.164 1.136 1
1 1523 . 14 1 1 A 114 114 GLU CB C 114 30.200 31.278 -1.078 1
1 1 . 15 1 1 A 2 2 THR HA H 2 4.300 4.091 0.209 1
1 6 . 15 1 1 A 2 2 THR C C 2 174.800 174.703 0.097 1
1 7 . 15 1 1 A 2 2 THR CA C 2 61.100 62.805 -1.705 1
1 8 . 15 1 1 A 2 2 THR CB C 2 70.400 66.515 3.885 1
1 10 . 15 1 1 A 3 3 LEU H H 3 8.760 7.821 0.939 1
1 11 . 15 1 1 A 3 3 LEU HA H 3 4.110 3.872 0.238 1
1 21 . 15 1 1 A 3 3 LEU C C 3 178.300 178.921 -0.621 1
1 22 . 15 1 1 A 3 3 LEU CA C 3 57.800 57.995 -0.195 1
1 23 . 15 1 1 A 3 3 LEU CB C 3 41.600 41.408 0.192 1
1 27 . 15 1 1 A 3 3 LEU N N 3 123.600 125.538 -1.938 1
1 28 . 15 1 1 A 4 4 GLU H H 4 8.740 8.223 0.517 1
1 29 . 15 1 1 A 4 4 GLU HA H 4 3.670 4.103 -0.433 1
1 34 . 15 1 1 A 4 4 GLU C C 4 177.900 178.716 -0.816 1
1 35 . 15 1 1 A 4 4 GLU CA C 4 60.000 59.195 0.805 1
1 36 . 15 1 1 A 4 4 GLU CB C 4 29.200 29.359 -0.159 1
1 38 . 15 1 1 A 4 4 GLU N N 4 116.500 117.696 -1.196 1
1 39 . 15 1 1 A 5 5 LEU H H 5 7.340 8.191 -0.851 1
1 40 . 15 1 1 A 5 5 LEU HA H 5 3.900 3.953 -0.053 1
1 50 . 15 1 1 A 5 5 LEU C C 5 178.900 179.183 -0.283 1
1 51 . 15 1 1 A 5 5 LEU CA C 5 56.900 58.004 -1.104 1
1 52 . 15 1 1 A 5 5 LEU CB C 5 41.200 41.403 -0.203 1
1 56 . 15 1 1 A 5 5 LEU N N 5 120.500 120.103 0.397 1
1 57 . 15 1 1 A 6 6 GLN H H 6 8.350 7.942 0.408 1
1 58 . 15 1 1 A 6 6 GLN HA H 6 3.970 4.009 -0.039 1
1 63 . 15 1 1 A 6 6 GLN C C 6 179.700 178.061 1.639 1
1 64 . 15 1 1 A 6 6 GLN CA C 6 59.100 59.077 0.023 1
1 65 . 15 1 1 A 6 6 GLN CB C 6 29.100 28.008 1.092 1
1 67 . 15 1 1 A 6 6 GLN N N 6 120.800 118.973 1.827 1
1 68 . 15 1 1 A 7 7 LEU H H 7 8.620 8.312 0.308 1
1 69 . 15 1 1 A 7 7 LEU HA H 7 4.010 4.066 -0.056 1
1 79 . 15 1 1 A 7 7 LEU C C 7 176.900 178.584 -1.684 1
1 80 . 15 1 1 A 7 7 LEU CA C 7 57.800 57.853 -0.053 1
1 81 . 15 1 1 A 7 7 LEU CB C 7 41.700 41.761 -0.061 1
1 85 . 15 1 1 A 7 7 LEU N N 7 121.000 121.305 -0.305 1
1 86 . 15 1 1 A 8 8 LYS H H 8 7.750 7.519 0.231 1
1 87 . 15 1 1 A 8 8 LYS HA H 8 3.570 3.541 0.029 1
1 96 . 15 1 1 A 8 8 LYS C C 8 179.400 178.758 0.642 1
1 97 . 15 1 1 A 8 8 LYS CA C 8 59.000 58.532 0.468 1
1 98 . 15 1 1 A 8 8 LYS CB C 8 32.400 31.850 0.550 1
1 102 . 15 1 1 A 8 8 LYS N N 8 119.700 118.658 1.042 1
1 103 . 15 1 1 A 9 9 HIS H H 9 8.520 8.208 0.312 1
1 104 . 15 1 1 A 9 9 HIS HA H 9 4.050 4.289 -0.239 1
1 107 . 15 1 1 A 9 9 HIS C C 9 176.500 176.716 -0.216 1
1 108 . 15 1 1 A 9 9 HIS CA C 9 59.400 59.092 0.308 1
1 109 . 15 1 1 A 9 9 HIS CB C 9 29.900 30.276 -0.376 1
1 110 . 15 1 1 A 9 9 HIS N N 9 120.500 120.201 0.299 1
1 111 . 15 1 1 A 10 10 TYR H H 10 7.990 8.671 -0.681 1
1 112 . 15 1 1 A 10 10 TYR HA H 10 4.160 3.957 0.203 1
1 119 . 15 1 1 A 10 10 TYR C C 10 177.400 176.902 0.498 1
1 120 . 15 1 1 A 10 10 TYR CA C 10 61.800 61.361 0.439 1
1 121 . 15 1 1 A 10 10 TYR CB C 10 39.500 38.696 0.804 1
1 126 . 15 1 1 A 10 10 TYR N N 10 119.200 120.026 -0.826 1
1 127 . 15 1 1 A 11 11 ILE H H 11 8.710 8.249 0.461 1
1 128 . 15 1 1 A 11 11 ILE HA H 11 3.540 3.639 -0.099 1
1 138 . 15 1 1 A 11 11 ILE CA C 11 61.600 63.488 -1.888 1
1 139 . 15 1 1 A 11 11 ILE CB C 11 36.200 37.646 -1.446 1
1 143 . 15 1 1 A 11 11 ILE N N 11 118.900 119.779 -0.879 1
1 144 . 15 1 1 A 12 12 THR HA H 12 3.840 3.931 -0.091 1
1 149 . 15 1 1 A 12 12 THR C C 12 176.900 176.086 0.814 1
1 150 . 15 1 1 A 12 12 THR CA C 12 66.400 67.099 -0.699 1
1 151 . 15 1 1 A 12 12 THR CB C 12 68.300 68.398 -0.098 1
1 153 . 15 1 1 A 13 13 ASN H H 13 7.440 7.989 -0.549 1
1 154 . 15 1 1 A 13 13 ASN HA H 13 4.420 4.399 0.021 1
1 159 . 15 1 1 A 13 13 ASN C C 13 176.700 177.601 -0.901 1
1 160 . 15 1 1 A 13 13 ASN CA C 13 55.900 56.077 -0.177 1
1 161 . 15 1 1 A 13 13 ASN CB C 13 38.600 37.879 0.721 1
1 163 . 15 1 1 A 13 13 ASN N N 13 118.300 118.778 -0.478 1
1 165 . 15 1 1 A 14 14 LEU H H 14 7.890 7.346 0.544 1
1 166 . 15 1 1 A 14 14 LEU HA H 14 3.660 3.726 -0.066 1
1 176 . 15 1 1 A 14 14 LEU C C 14 177.900 177.759 0.141 1
1 177 . 15 1 1 A 14 14 LEU CA C 14 57.600 57.498 0.102 1
1 178 . 15 1 1 A 14 14 LEU CB C 14 42.600 41.066 1.534 1
1 182 . 15 1 1 A 14 14 LEU N N 14 122.100 121.727 0.373 1
1 183 . 15 1 1 A 15 15 PHE H H 15 7.670 7.374 0.296 1
1 184 . 15 1 1 A 15 15 PHE HA H 15 4.490 4.503 -0.013 1
1 191 . 15 1 1 A 15 15 PHE C C 15 173.800 174.802 -1.002 1
1 192 . 15 1 1 A 15 15 PHE CA C 15 57.900 57.291 0.609 1
1 193 . 15 1 1 A 15 15 PHE CB C 15 38.900 39.205 -0.305 1
1 198 . 15 1 1 A 15 15 PHE N N 15 111.800 114.219 -2.419 1
1 199 . 15 1 1 A 16 16 ASN H H 16 7.450 7.931 -0.481 1
1 200 . 15 1 1 A 16 16 ASN HA H 16 4.420 4.278 0.142 1
1 205 . 15 1 1 A 16 16 ASN C C 16 174.200 173.967 0.233 1
1 206 . 15 1 1 A 16 16 ASN CA C 16 54.100 54.154 -0.054 1
1 207 . 15 1 1 A 16 16 ASN CB C 16 36.500 37.336 -0.836 1
1 209 . 15 1 1 A 16 16 ASN N N 16 118.500 117.710 0.790 1
1 211 . 15 1 1 A 17 17 LEU H H 17 8.410 8.124 0.286 1
1 212 . 15 1 1 A 17 17 LEU HA H 17 4.630 4.559 0.071 1
1 222 . 15 1 1 A 17 17 LEU CA C 17 52.300 52.807 -0.507 1
1 223 . 15 1 1 A 17 17 LEU CB C 17 41.000 41.426 -0.426 1
1 227 . 15 1 1 A 17 17 LEU N N 17 118.700 119.932 -1.232 1
1 228 . 15 1 1 A 18 18 PRO HA H 18 4.380 4.629 -0.249 1
1 235 . 15 1 1 A 18 18 PRO C C 18 178.600 176.984 1.616 1
1 236 . 15 1 1 A 18 18 PRO CA C 18 63.100 62.806 0.294 1
1 237 . 15 1 1 A 18 18 PRO CB C 18 31.800 32.279 -0.479 1
1 240 . 15 1 1 A 19 19 ARG H H 19 8.650 8.651 -0.001 1
1 241 . 15 1 1 A 19 19 ARG HA H 19 3.820 4.252 -0.432 1
1 248 . 15 1 1 A 19 19 ARG C C 19 176.500 177.114 -0.614 1
1 249 . 15 1 1 A 19 19 ARG CA C 19 58.100 57.694 0.406 1
1 250 . 15 1 1 A 19 19 ARG CB C 19 30.300 30.263 0.037 1
1 253 . 15 1 1 A 19 19 ARG N N 19 124.600 122.124 2.476 1
1 254 . 15 1 1 A 20 20 ASP H H 20 8.390 8.015 0.375 1
1 255 . 15 1 1 A 20 20 ASP HA H 20 4.550 4.562 -0.012 1
1 258 . 15 1 1 A 20 20 ASP C C 20 175.700 175.966 -0.266 1
1 259 . 15 1 1 A 20 20 ASP CA C 20 53.000 55.430 -2.430 1
1 260 . 15 1 1 A 20 20 ASP CB C 20 40.400 40.611 -0.211 1
1 261 . 15 1 1 A 20 20 ASP N N 20 114.300 117.489 -3.189 1
1 262 . 15 1 1 A 21 21 GLU H H 21 6.780 7.575 -0.795 1
1 263 . 15 1 1 A 21 21 GLU HA H 21 4.150 4.360 -0.210 1
1 268 . 15 1 1 A 21 21 GLU C C 21 175.400 175.637 -0.237 1
1 269 . 15 1 1 A 21 21 GLU CA C 21 56.200 55.582 0.618 1
1 270 . 15 1 1 A 21 21 GLU CB C 21 31.600 30.461 1.139 1
1 272 . 15 1 1 A 21 21 GLU N N 21 121.600 121.113 0.487 1
1 273 . 15 1 1 A 22 22 LYS H H 22 8.860 8.518 0.342 1
1 274 . 15 1 1 A 22 22 LYS HA H 22 4.160 4.406 -0.246 1
1 283 . 15 1 1 A 22 22 LYS C C 22 176.100 176.071 0.029 1
1 284 . 15 1 1 A 22 22 LYS CA C 22 57.200 56.350 0.850 1
1 285 . 15 1 1 A 22 22 LYS CB C 22 33.000 33.233 -0.233 1
1 289 . 15 1 1 A 22 22 LYS N N 22 128.900 128.502 0.398 1
1 290 . 15 1 1 A 23 23 TRP H H 23 8.750 9.055 -0.305 1
1 291 . 15 1 1 A 23 23 TRP HA H 23 5.400 5.258 0.142 1
1 300 . 15 1 1 A 23 23 TRP C C 23 176.500 176.425 0.075 1
1 301 . 15 1 1 A 23 23 TRP CA C 23 54.600 56.569 -1.969 1
1 302 . 15 1 1 A 23 23 TRP CB C 23 31.100 32.073 -0.973 1
1 308 . 15 1 1 A 23 23 TRP N N 23 126.100 127.999 -1.899 1
1 310 . 15 1 1 A 24 24 GLU H H 24 9.040 8.807 0.233 1
1 311 . 15 1 1 A 24 24 GLU HA H 24 4.590 5.032 -0.442 1
1 316 . 15 1 1 A 24 24 GLU C C 24 174.100 176.325 -2.225 1
1 317 . 15 1 1 A 24 24 GLU CA C 24 54.200 55.652 -1.452 1
1 318 . 15 1 1 A 24 24 GLU CB C 24 31.600 31.679 -0.079 1
1 320 . 15 1 1 A 24 24 GLU N N 24 122.700 121.925 0.775 1
1 321 . 15 1 1 A 25 25 CYS H H 25 8.740 8.882 -0.142 1
1 322 . 15 1 1 A 25 25 CYS HA H 25 4.870 4.330 0.540 1
1 325 . 15 1 1 A 25 25 CYS C C 25 174.400 174.158 0.242 1
1 326 . 15 1 1 A 25 25 CYS CA C 25 57.200 58.786 -1.586 1
1 327 . 15 1 1 A 25 25 CYS CB C 25 30.200 28.604 1.596 1
1 328 . 15 1 1 A 25 25 CYS N N 25 119.900 125.833 -5.933 1
1 329 . 15 1 1 A 26 26 GLU H H 26 9.220 8.102 1.118 1
1 330 . 15 1 1 A 26 26 GLU HA H 26 4.740 4.775 -0.035 1
1 335 . 15 1 1 A 26 26 GLU C C 26 175.000 175.385 -0.385 1
1 336 . 15 1 1 A 26 26 GLU CA C 26 55.100 55.588 -0.488 1
1 337 . 15 1 1 A 26 26 GLU CB C 26 31.700 32.140 -0.440 1
1 339 . 15 1 1 A 26 26 GLU N N 26 131.200 123.979 7.221 1
1 340 . 15 1 1 A 27 27 SER H H 27 8.900 8.754 0.146 1
1 341 . 15 1 1 A 27 27 SER HA H 27 5.750 4.942 0.808 1
1 344 . 15 1 1 A 27 27 SER C C 27 173.600 173.559 0.041 1
1 345 . 15 1 1 A 27 27 SER CA C 27 56.700 58.723 -2.023 1
1 346 . 15 1 1 A 27 27 SER CB C 27 64.200 63.755 0.445 1
1 347 . 15 1 1 A 27 27 SER N N 27 125.100 121.996 3.104 1
1 348 . 15 1 1 A 28 28 ILE H H 28 8.540 8.613 -0.073 1
1 349 . 15 1 1 A 28 28 ILE HA H 28 4.680 4.725 -0.045 1
1 359 . 15 1 1 A 28 28 ILE C C 28 174.100 173.949 0.151 1
1 360 . 15 1 1 A 28 28 ILE CA C 28 59.800 59.158 0.642 1
1 361 . 15 1 1 A 28 28 ILE CB C 28 42.700 41.760 0.940 1
1 365 . 15 1 1 A 28 28 ILE N N 28 123.200 123.087 0.113 1
1 366 . 15 1 1 A 29 29 GLU H H 29 8.430 8.612 -0.182 1
1 367 . 15 1 1 A 29 29 GLU HA H 29 5.430 4.961 0.469 1
1 372 . 15 1 1 A 29 29 GLU C C 29 176.000 175.927 0.073 1
1 373 . 15 1 1 A 29 29 GLU CA C 29 55.600 55.392 0.208 1
1 374 . 15 1 1 A 29 29 GLU CB C 29 31.200 31.149 0.051 1
1 376 . 15 1 1 A 29 29 GLU N N 29 123.900 128.096 -4.196 1
1 377 . 15 1 1 A 30 30 GLU H H 30 8.850 8.573 0.277 1
1 378 . 15 1 1 A 30 30 GLU HA H 30 4.730 4.948 -0.218 1
1 383 . 15 1 1 A 30 30 GLU C C 30 174.300 176.168 -1.868 1
1 384 . 15 1 1 A 30 30 GLU CA C 30 54.700 54.306 0.394 1
1 385 . 15 1 1 A 30 30 GLU CB C 30 34.400 33.886 0.514 1
1 387 . 15 1 1 A 30 30 GLU N N 30 121.900 123.745 -1.845 1
1 388 . 15 1 1 A 31 31 VAL H H 31 9.260 8.866 0.394 1
1 389 . 15 1 1 A 31 31 VAL HA H 31 4.250 4.028 0.222 1
1 397 . 15 1 1 A 31 31 VAL C C 31 177.700 176.951 0.749 1
1 398 . 15 1 1 A 31 31 VAL CA C 31 62.500 63.533 -1.033 1
1 399 . 15 1 1 A 31 31 VAL CB C 31 31.800 31.918 -0.118 1
1 402 . 15 1 1 A 31 31 VAL N N 31 124.500 122.243 2.257 1
1 403 . 15 1 1 A 32 32 ALA H H 32 9.250 8.757 0.493 1
1 404 . 15 1 1 A 32 32 ALA HA H 32 3.710 4.024 -0.314 1
1 408 . 15 1 1 A 32 32 ALA C C 32 178.600 179.588 -0.988 1
1 409 . 15 1 1 A 32 32 ALA CA C 32 55.800 55.633 0.167 1
1 410 . 15 1 1 A 32 32 ALA CB C 32 19.400 18.189 1.211 1
1 411 . 15 1 1 A 32 32 ALA N N 32 129.900 128.665 1.235 1
1 412 . 15 1 1 A 33 33 ASP H H 33 9.510 8.261 1.249 1
1 413 . 15 1 1 A 33 33 ASP HA H 33 4.180 4.576 -0.396 1
1 416 . 15 1 1 A 33 33 ASP C C 33 176.300 178.816 -2.516 1
1 417 . 15 1 1 A 33 33 ASP CA C 33 54.600 57.127 -2.527 1
1 418 . 15 1 1 A 33 33 ASP CB C 33 39.200 40.121 -0.921 1
1 419 . 15 1 1 A 33 33 ASP N N 33 110.700 119.121 -8.421 1
1 420 . 15 1 1 A 34 34 ASP H H 34 7.830 8.212 -0.382 1
1 421 . 15 1 1 A 34 34 ASP HA H 34 4.650 4.456 0.194 1
1 424 . 15 1 1 A 34 34 ASP C C 34 176.300 177.881 -1.581 1
1 425 . 15 1 1 A 34 34 ASP CA C 34 55.100 57.380 -2.280 1
1 426 . 15 1 1 A 34 34 ASP CB C 34 41.000 40.778 0.222 1
1 427 . 15 1 1 A 34 34 ASP N N 34 114.700 119.186 -4.486 1
1 428 . 15 1 1 A 35 35 ILE H H 35 7.290 7.407 -0.117 1
1 429 . 15 1 1 A 35 35 ILE HA H 35 4.490 4.021 0.469 1
1 439 . 15 1 1 A 35 35 ILE C C 35 174.100 175.610 -1.510 1
1 440 . 15 1 1 A 35 35 ILE CA C 35 60.700 62.033 -1.333 1
1 441 . 15 1 1 A 35 35 ILE CB C 35 40.600 38.812 1.788 1
1 445 . 15 1 1 A 35 35 ILE N N 35 113.400 118.966 -5.566 1
1 446 . 15 1 1 A 36 36 LEU H H 36 7.730 8.581 -0.851 1
1 447 . 15 1 1 A 36 36 LEU HA H 36 4.800 4.923 -0.123 1
1 457 . 15 1 1 A 36 36 LEU CA C 36 52.200 51.547 0.653 1
1 458 . 15 1 1 A 36 36 LEU CB C 36 42.700 43.910 -1.210 1
1 462 . 15 1 1 A 36 36 LEU N N 36 120.400 122.050 -1.650 1
1 463 . 15 1 1 A 37 37 PRO HA H 37 4.440 4.614 -0.174 1
1 470 . 15 1 1 A 37 37 PRO C C 37 177.100 176.968 0.132 1
1 471 . 15 1 1 A 37 37 PRO CA C 37 63.100 62.897 0.203 1
1 472 . 15 1 1 A 37 37 PRO CB C 37 32.700 32.746 -0.046 1
1 475 . 15 1 1 A 38 38 ASP H H 38 8.690 8.742 -0.052 1
1 476 . 15 1 1 A 38 38 ASP HA H 38 4.230 4.362 -0.132 1
1 479 . 15 1 1 A 38 38 ASP C C 38 177.800 178.436 -0.636 1
1 480 . 15 1 1 A 38 38 ASP CA C 38 57.900 56.800 1.100 1
1 481 . 15 1 1 A 38 38 ASP CB C 38 42.200 40.372 1.828 1
1 482 . 15 1 1 A 38 38 ASP N N 38 123.800 121.810 1.990 1
1 483 . 15 1 1 A 39 39 GLN H H 39 9.080 8.092 0.988 1
1 484 . 15 1 1 A 39 39 GLN HA H 39 3.990 3.933 0.057 1
1 491 . 15 1 1 A 39 39 GLN C C 39 176.400 176.623 -0.223 1
1 492 . 15 1 1 A 39 39 GLN CA C 39 58.000 58.288 -0.288 1
1 493 . 15 1 1 A 39 39 GLN CB C 39 27.300 28.525 -1.225 1
1 496 . 15 1 1 A 39 39 GLN N N 39 115.100 119.866 -4.766 1
1 498 . 15 1 1 A 40 40 TYR H H 40 7.510 7.676 -0.166 1
1 499 . 15 1 1 A 40 40 TYR HA H 40 4.730 4.679 0.051 1
1 506 . 15 1 1 A 40 40 TYR C C 40 174.200 175.911 -1.711 1
1 507 . 15 1 1 A 40 40 TYR CA C 40 57.000 57.991 -0.991 1
1 508 . 15 1 1 A 40 40 TYR CB C 40 39.400 39.587 -0.187 1
1 513 . 15 1 1 A 40 40 TYR N N 40 116.800 116.172 0.628 1
1 514 . 15 1 1 A 41 41 VAL H H 41 7.370 7.774 -0.404 1
1 515 . 15 1 1 A 41 41 VAL HA H 41 4.000 4.575 -0.575 1
1 523 . 15 1 1 A 41 41 VAL C C 41 175.400 176.423 -1.023 1
1 524 . 15 1 1 A 41 41 VAL CA C 41 62.800 61.092 1.708 1
1 525 . 15 1 1 A 41 41 VAL CB C 41 34.300 31.349 2.951 1
1 528 . 15 1 1 A 41 41 VAL N N 41 116.100 119.704 -3.604 1
1 529 . 15 1 1 A 42 42 ARG H H 42 7.990 8.373 -0.383 1
1 530 . 15 1 1 A 42 42 ARG HA H 42 3.970 4.079 -0.109 1
1 537 . 15 1 1 A 42 42 ARG C C 42 176.600 176.716 -0.116 1
1 538 . 15 1 1 A 42 42 ARG CA C 42 58.500 58.602 -0.102 1
1 539 . 15 1 1 A 42 42 ARG CB C 42 29.700 30.681 -0.981 1
1 542 . 15 1 1 A 42 42 ARG N N 42 120.900 124.664 -3.764 1
1 543 . 15 1 1 A 43 43 LEU H H 43 8.930 7.732 1.198 1
1 544 . 15 1 1 A 43 43 LEU HA H 43 4.060 4.739 -0.679 1
1 554 . 15 1 1 A 43 43 LEU C C 43 176.200 176.031 0.169 1
1 555 . 15 1 1 A 43 43 LEU CA C 43 56.100 53.993 2.107 1
1 556 . 15 1 1 A 43 43 LEU CB C 43 40.100 43.648 -3.548 1
1 560 . 15 1 1 A 43 43 LEU N N 43 119.500 119.472 0.028 1
1 561 . 15 1 1 A 44 44 GLY H H 44 7.890 8.382 -0.492 1
1 562 . 15 1 1 A 44 44 GLY HA2 H 44 3.930 4.052 -0.122 1
1 563 . 15 1 1 A 44 44 GLY HA3 H 44 4.540 4.056 0.484 1
1 564 . 15 1 1 A 44 44 GLY CA C 44 44.900 44.180 0.720 1
1 565 . 15 1 1 A 44 44 GLY N N 44 107.000 109.167 -2.167 1
1 566 . 15 1 1 A 45 45 PRO HA H 45 4.360 4.361 -0.001 1
1 573 . 15 1 1 A 45 45 PRO C C 45 176.900 177.652 -0.752 1
1 574 . 15 1 1 A 45 45 PRO CA C 45 64.400 64.847 -0.447 1
1 575 . 15 1 1 A 45 45 PRO CB C 45 31.900 31.739 0.161 1
1 578 . 15 1 1 A 46 46 LEU H H 46 8.660 7.826 0.834 1
1 579 . 15 1 1 A 46 46 LEU HA H 46 3.970 4.320 -0.350 1
1 589 . 15 1 1 A 46 46 LEU C C 46 176.300 177.676 -1.376 1
1 590 . 15 1 1 A 46 46 LEU CA C 46 55.900 54.819 1.081 1
1 591 . 15 1 1 A 46 46 LEU CB C 46 43.500 41.359 2.141 1
1 595 . 15 1 1 A 46 46 LEU N N 46 117.000 117.956 -0.956 1
1 596 . 15 1 1 A 47 47 SER H H 47 7.160 8.092 -0.932 1
1 597 . 15 1 1 A 47 47 SER HA H 47 4.080 4.214 -0.134 1
1 600 . 15 1 1 A 47 47 SER C C 47 176.600 175.136 1.464 1
1 601 . 15 1 1 A 47 47 SER CA C 47 59.100 61.758 -2.658 1
1 602 . 15 1 1 A 47 47 SER CB C 47 62.800 62.963 -0.163 1
1 603 . 15 1 1 A 47 47 SER N N 47 110.300 116.056 -5.756 1
1 604 . 15 1 1 A 48 48 ASN H H 48 11.000 8.033 2.967 1
1 605 . 15 1 1 A 48 48 ASN HA H 48 4.090 4.936 -0.846 1
1 610 . 15 1 1 A 48 48 ASN C C 48 174.700 174.255 0.445 1
1 611 . 15 1 1 A 48 48 ASN CA C 48 55.200 52.224 2.976 1
1 612 . 15 1 1 A 48 48 ASN CB C 48 38.300 39.710 -1.410 1
1 614 . 15 1 1 A 48 48 ASN N N 48 123.200 116.883 6.317 1
1 616 . 15 1 1 A 49 49 LYS H H 49 7.830 7.624 0.206 1
1 617 . 15 1 1 A 49 49 LYS HA H 49 4.360 4.563 -0.203 1
1 626 . 15 1 1 A 49 49 LYS C C 49 175.100 176.205 -1.105 1
1 627 . 15 1 1 A 49 49 LYS CA C 49 56.100 55.762 0.338 1
1 628 . 15 1 1 A 49 49 LYS CB C 49 33.200 33.476 -0.276 1
1 632 . 15 1 1 A 49 49 LYS N N 49 119.400 121.197 -1.797 1
1 633 . 15 1 1 A 50 50 ILE H H 50 8.570 8.418 0.152 1
1 634 . 15 1 1 A 50 50 ILE HA H 50 4.160 4.312 -0.152 1
1 644 . 15 1 1 A 50 50 ILE C C 50 175.000 175.624 -0.624 1
1 645 . 15 1 1 A 50 50 ILE CA C 50 61.200 61.094 0.106 1
1 646 . 15 1 1 A 50 50 ILE CB C 50 36.900 37.571 -0.671 1
1 650 . 15 1 1 A 50 50 ILE N N 50 123.000 125.737 -2.737 1
1 651 . 15 1 1 A 51 51 LEU H H 51 9.270 8.899 0.371 1
1 652 . 15 1 1 A 51 51 LEU HA H 51 5.170 5.219 -0.049 1
1 662 . 15 1 1 A 51 51 LEU C C 51 176.300 175.827 0.473 1
1 663 . 15 1 1 A 51 51 LEU CA C 51 52.500 53.121 -0.621 1
1 664 . 15 1 1 A 51 51 LEU CB C 51 42.600 44.234 -1.634 1
1 668 . 15 1 1 A 51 51 LEU N N 51 127.000 129.184 -2.184 1
1 669 . 15 1 1 A 52 52 GLN H H 52 9.110 8.465 0.645 1
1 670 . 15 1 1 A 52 52 GLN HA H 52 4.590 4.624 -0.034 1
1 677 . 15 1 1 A 52 52 GLN C C 52 175.000 175.485 -0.485 1
1 678 . 15 1 1 A 52 52 GLN CA C 52 56.800 55.576 1.224 1
1 679 . 15 1 1 A 52 52 GLN CB C 52 29.200 29.002 0.198 1
1 682 . 15 1 1 A 52 52 GLN N N 52 122.700 124.996 -2.296 1
1 684 . 15 1 1 A 53 53 THR H H 53 9.110 8.362 0.748 1
1 685 . 15 1 1 A 53 53 THR HA H 53 4.730 5.283 -0.553 1
1 690 . 15 1 1 A 53 53 THR C C 53 172.500 174.225 -1.725 1
1 691 . 15 1 1 A 53 53 THR CA C 53 60.500 60.596 -0.096 1
1 692 . 15 1 1 A 53 53 THR CB C 53 69.800 70.611 -0.811 1
1 694 . 15 1 1 A 53 53 THR N N 53 121.500 117.328 4.172 1
1 695 . 15 1 1 A 54 54 ASN H H 54 8.210 8.784 -0.574 1
1 696 . 15 1 1 A 54 54 ASN HA H 54 5.400 5.598 -0.198 1
1 701 . 15 1 1 A 54 54 ASN C C 54 172.900 173.353 -0.453 1
1 702 . 15 1 1 A 54 54 ASN CA C 54 52.400 52.292 0.108 1
1 703 . 15 1 1 A 54 54 ASN CB C 54 40.900 40.649 0.251 1
1 705 . 15 1 1 A 54 54 ASN N N 54 125.400 118.350 7.050 1
1 707 . 15 1 1 A 55 55 THR H H 55 8.510 8.542 -0.032 1
1 708 . 15 1 1 A 55 55 THR HA H 55 5.120 5.064 0.056 1
1 713 . 15 1 1 A 55 55 THR C C 55 172.800 173.459 -0.659 1
1 714 . 15 1 1 A 55 55 THR CA C 55 61.400 61.904 -0.504 1
1 715 . 15 1 1 A 55 55 THR CB C 55 69.700 69.990 -0.290 1
1 717 . 15 1 1 A 55 55 THR N N 55 119.300 119.444 -0.144 1
1 718 . 15 1 1 A 56 56 TYR H H 56 8.460 8.840 -0.380 1
1 719 . 15 1 1 A 56 56 TYR HA H 56 5.260 5.607 -0.347 1
1 726 . 15 1 1 A 56 56 TYR C C 56 173.400 174.232 -0.832 1
1 727 . 15 1 1 A 56 56 TYR CA C 56 57.500 55.991 1.509 1
1 728 . 15 1 1 A 56 56 TYR CB C 56 41.400 40.685 0.715 1
1 733 . 15 1 1 A 56 56 TYR N N 56 125.400 125.582 -0.182 1
1 734 . 15 1 1 A 57 57 TYR H H 57 8.450 9.200 -0.750 1
1 735 . 15 1 1 A 57 57 TYR HA H 57 4.530 5.528 -0.998 1
1 742 . 15 1 1 A 57 57 TYR C C 57 172.400 175.074 -2.674 1
1 743 . 15 1 1 A 57 57 TYR CA C 57 56.600 56.094 0.506 1
1 744 . 15 1 1 A 57 57 TYR CB C 57 41.700 41.424 0.276 1
1 749 . 15 1 1 A 57 57 TYR N N 57 113.900 122.619 -8.719 1
1 750 . 15 1 1 A 58 58 SER H H 58 7.100 9.074 -1.974 1
1 751 . 15 1 1 A 58 58 SER HA H 58 4.750 5.077 -0.327 1
1 754 . 15 1 1 A 58 58 SER C C 58 173.800 174.367 -0.567 1
1 755 . 15 1 1 A 58 58 SER CA C 58 56.600 57.820 -1.220 1
1 756 . 15 1 1 A 58 58 SER CB C 58 65.600 67.417 -1.817 1
1 757 . 15 1 1 A 58 58 SER N N 58 114.200 118.622 -4.422 1
1 758 . 15 1 1 A 59 59 ASP H H 59 9.140 8.833 0.307 1
1 759 . 15 1 1 A 59 59 ASP HA H 59 4.550 4.304 0.246 1
1 762 . 15 1 1 A 59 59 ASP C C 59 179.000 177.791 1.209 1
1 763 . 15 1 1 A 59 59 ASP CA C 59 58.500 57.894 0.606 1
1 764 . 15 1 1 A 59 59 ASP CB C 59 40.400 40.945 -0.545 1
1 765 . 15 1 1 A 59 59 ASP N N 59 121.800 124.442 -2.642 1
1 766 . 15 1 1 A 60 60 THR H H 60 9.060 8.026 1.034 1
1 767 . 15 1 1 A 60 60 THR HA H 60 4.000 4.035 -0.035 1
1 772 . 15 1 1 A 60 60 THR C C 60 178.000 177.695 0.305 1
1 773 . 15 1 1 A 60 60 THR CA C 60 67.300 65.808 1.492 1
1 774 . 15 1 1 A 60 60 THR CB C 60 67.300 68.470 -1.170 1
1 776 . 15 1 1 A 60 60 THR N N 60 114.800 114.068 0.732 1
1 777 . 15 1 1 A 61 61 LEU H H 61 7.950 8.239 -0.289 1
1 778 . 15 1 1 A 61 61 LEU HA H 61 3.610 3.858 -0.248 1
1 788 . 15 1 1 A 61 61 LEU C C 61 178.900 179.191 -0.291 1
1 789 . 15 1 1 A 61 61 LEU CA C 61 58.600 57.833 0.767 1
1 790 . 15 1 1 A 61 61 LEU CB C 61 39.500 41.908 -2.408 1
1 794 . 15 1 1 A 61 61 LEU N N 61 126.100 122.389 3.711 1
1 795 . 15 1 1 A 62 62 HIS H H 62 8.260 8.506 -0.246 1
1 796 . 15 1 1 A 62 62 HIS HA H 62 4.470 4.159 0.311 1
1 800 . 15 1 1 A 62 62 HIS C C 62 178.900 177.365 1.535 1
1 801 . 15 1 1 A 62 62 HIS CA C 62 58.600 60.343 -1.743 1
1 802 . 15 1 1 A 62 62 HIS CB C 62 29.500 30.108 -0.608 1
1 804 . 15 1 1 A 62 62 HIS N N 62 116.000 117.996 -1.996 1
1 805 . 15 1 1 A 63 63 LYS H H 63 7.790 8.166 -0.376 1
1 806 . 15 1 1 A 63 63 LYS HA H 63 3.960 3.976 -0.016 1
1 815 . 15 1 1 A 63 63 LYS C C 63 177.900 179.140 -1.240 1
1 816 . 15 1 1 A 63 63 LYS CA C 63 59.200 59.595 -0.395 1
1 817 . 15 1 1 A 63 63 LYS CB C 63 32.400 32.204 0.196 1
1 821 . 15 1 1 A 63 63 LYS N N 63 119.100 119.400 -0.300 1
1 822 . 15 1 1 A 64 64 SER H H 64 7.580 7.755 -0.175 1
1 823 . 15 1 1 A 64 64 SER HA H 64 4.260 4.342 -0.082 1
1 826 . 15 1 1 A 64 64 SER C C 64 172.100 173.524 -1.424 1
1 827 . 15 1 1 A 64 64 SER CA C 64 59.300 58.386 0.914 1
1 828 . 15 1 1 A 64 64 SER CB C 64 63.600 63.214 0.386 1
1 829 . 15 1 1 A 64 64 SER N N 64 112.470 113.150 -0.680 1
1 830 . 15 1 1 A 65 65 ASN H H 65 7.760 7.500 0.260 1
1 831 . 15 1 1 A 65 65 ASN HA H 65 3.870 4.171 -0.301 1
1 836 . 15 1 1 A 65 65 ASN C C 65 171.100 173.561 -2.461 1
1 837 . 15 1 1 A 65 65 ASN CA C 65 54.300 54.248 0.052 1
1 838 . 15 1 1 A 65 65 ASN CB C 65 37.500 36.801 0.699 1
1 840 . 15 1 1 A 65 65 ASN N N 65 117.600 116.136 1.464 1
1 842 . 15 1 1 A 66 66 ILE H H 66 6.820 6.974 -0.154 1
1 843 . 15 1 1 A 66 66 ILE HA H 66 4.590 4.487 0.103 1
1 853 . 15 1 1 A 66 66 ILE C C 66 174.000 174.034 -0.034 1
1 854 . 15 1 1 A 66 66 ILE CA C 66 58.200 59.902 -1.702 1
1 855 . 15 1 1 A 66 66 ILE CB C 66 40.200 40.047 0.153 1
1 859 . 15 1 1 A 66 66 ILE N N 66 113.900 118.604 -4.704 1
1 860 . 15 1 1 A 67 67 TYR H H 67 8.530 8.342 0.188 1
1 861 . 15 1 1 A 67 67 TYR HA H 67 5.050 5.137 -0.087 1
1 868 . 15 1 1 A 67 67 TYR CA C 67 54.000 54.897 -0.897 1
1 869 . 15 1 1 A 67 67 TYR CB C 67 39.400 39.183 0.217 1
1 874 . 15 1 1 A 67 67 TYR N N 67 120.200 125.677 -5.477 1
1 875 . 15 1 1 A 68 68 PRO HA H 68 5.120 5.085 0.035 1
1 882 . 15 1 1 A 68 68 PRO C C 68 174.600 176.928 -2.328 1
1 883 . 15 1 1 A 68 68 PRO CA C 68 61.500 62.666 -1.166 1
1 884 . 15 1 1 A 68 68 PRO CB C 68 32.200 32.419 -0.219 1
1 887 . 15 1 1 A 69 69 PHE H H 69 8.870 8.596 0.274 1
1 888 . 15 1 1 A 69 69 PHE HA H 69 6.330 5.448 0.882 1
1 896 . 15 1 1 A 69 69 PHE C C 69 173.000 172.501 0.499 1
1 897 . 15 1 1 A 69 69 PHE CA C 69 56.300 56.086 0.214 1
1 898 . 15 1 1 A 69 69 PHE CB C 69 42.900 42.290 0.610 1
1 903 . 15 1 1 A 69 69 PHE N N 69 118.400 119.170 -0.770 1
1 904 . 15 1 1 A 70 70 ILE H H 70 9.060 8.508 0.552 1
1 905 . 15 1 1 A 70 70 ILE HA H 70 4.840 4.711 0.129 1
1 915 . 15 1 1 A 70 70 ILE C C 70 175.700 174.752 0.948 1
1 916 . 15 1 1 A 70 70 ILE CA C 70 61.900 59.454 2.446 1
1 917 . 15 1 1 A 70 70 ILE CB C 70 43.000 41.736 1.264 1
1 921 . 15 1 1 A 70 70 ILE N N 70 117.700 120.539 -2.839 1
1 922 . 15 1 1 A 71 71 LEU H H 71 9.320 8.404 0.916 1
1 923 . 15 1 1 A 71 71 LEU HA H 71 5.720 5.034 0.686 1
1 933 . 15 1 1 A 71 71 LEU C C 71 175.600 175.477 0.123 1
1 934 . 15 1 1 A 71 71 LEU CA C 71 52.400 53.246 -0.846 1
1 935 . 15 1 1 A 71 71 LEU CB C 71 43.700 43.167 0.533 1
1 939 . 15 1 1 A 71 71 LEU N N 71 124.800 125.806 -1.006 1
1 940 . 15 1 1 A 72 72 TYR H H 72 9.250 9.034 0.216 1
1 941 . 15 1 1 A 72 72 TYR HA H 72 5.350 5.315 0.035 1
1 948 . 15 1 1 A 72 72 TYR C C 72 174.100 174.764 -0.664 1
1 949 . 15 1 1 A 72 72 TYR CA C 72 57.300 56.760 0.540 1
1 950 . 15 1 1 A 72 72 TYR CB C 72 44.500 42.061 2.439 1
1 955 . 15 1 1 A 72 72 TYR N N 72 120.700 123.141 -2.441 1
1 956 . 15 1 1 A 73 73 TYR H H 73 9.250 9.028 0.222 1
1 957 . 15 1 1 A 73 73 TYR HA H 73 5.110 5.042 0.068 1
1 964 . 15 1 1 A 73 73 TYR C C 73 174.500 175.537 -1.037 1
1 965 . 15 1 1 A 73 73 TYR CA C 73 56.500 57.524 -1.024 1
1 966 . 15 1 1 A 73 73 TYR CB C 73 40.400 42.059 -1.659 1
1 971 . 15 1 1 A 73 73 TYR N N 73 120.300 124.161 -3.861 1
1 972 . 15 1 1 A 74 74 GLN H H 74 9.310 8.749 0.561 1
1 973 . 15 1 1 A 74 74 GLN HA H 74 3.530 3.934 -0.404 1
1 980 . 15 1 1 A 74 74 GLN C C 74 175.400 175.263 0.137 1
1 981 . 15 1 1 A 74 74 GLN CA C 74 57.200 57.656 -0.456 1
1 982 . 15 1 1 A 74 74 GLN CB C 74 25.500 28.565 -3.065 1
1 985 . 15 1 1 A 74 74 GLN N N 74 126.000 127.264 -1.264 1
1 987 . 15 1 1 A 75 75 LYS H H 75 8.530 9.005 -0.475 1
1 988 . 15 1 1 A 75 75 LYS HA H 75 3.820 4.573 -0.753 1
1 997 . 15 1 1 A 75 75 LYS C C 75 175.500 175.893 -0.393 1
1 998 . 15 1 1 A 75 75 LYS CA C 75 57.300 57.273 0.027 1
1 999 . 15 1 1 A 75 75 LYS CB C 75 30.900 35.968 -5.068 1
1 1003 . 15 1 1 A 75 75 LYS N N 75 113.600 120.412 -6.812 1
1 1004 . 15 1 1 A 76 76 GLN H H 76 8.550 7.899 0.651 1
1 1005 . 15 1 1 A 76 76 GLN HA H 76 4.470 4.620 -0.150 1
1 1012 . 15 1 1 A 76 76 GLN C C 76 175.400 175.944 -0.544 1
1 1013 . 15 1 1 A 76 76 GLN CA C 76 54.700 55.275 -0.575 1
1 1014 . 15 1 1 A 76 76 GLN CB C 76 29.900 30.177 -0.277 1
1 1017 . 15 1 1 A 76 76 GLN N N 76 122.200 119.620 2.580 1
1 1019 . 15 1 1 A 77 77 LEU H H 77 8.860 8.593 0.267 1
1 1020 . 15 1 1 A 77 77 LEU HA H 77 3.940 4.694 -0.754 1
1 1030 . 15 1 1 A 77 77 LEU C C 77 175.300 177.465 -2.165 1
1 1031 . 15 1 1 A 77 77 LEU CA C 77 56.800 54.330 2.470 1
1 1032 . 15 1 1 A 77 77 LEU CB C 77 41.800 43.768 -1.968 1
1 1036 . 15 1 1 A 77 77 LEU N N 77 128.900 122.022 6.878 1
1 1037 . 15 1 1 A 78 78 ILE H H 78 8.880 9.123 -0.243 1
1 1038 . 15 1 1 A 78 78 ILE HA H 78 4.810 4.408 0.402 1
1 1048 . 15 1 1 A 78 78 ILE C C 78 174.600 176.068 -1.468 1
1 1049 . 15 1 1 A 78 78 ILE CA C 78 58.300 62.649 -4.349 1
1 1050 . 15 1 1 A 78 78 ILE CB C 78 38.270 38.586 -0.316 1
1 1054 . 15 1 1 A 78 78 ILE N N 78 126.900 120.754 6.146 1
1 1055 . 15 1 1 A 79 79 ALA H H 79 7.940 7.533 0.407 1
1 1056 . 15 1 1 A 79 79 ALA HA H 79 5.390 4.817 0.573 1
1 1060 . 15 1 1 A 79 79 ALA C C 79 175.300 175.202 0.098 1
1 1061 . 15 1 1 A 79 79 ALA CA C 79 51.600 51.692 -0.092 1
1 1062 . 15 1 1 A 79 79 ALA CB C 79 24.000 22.830 1.170 1
1 1063 . 15 1 1 A 79 79 ALA N N 79 115.000 118.398 -3.398 1
1 1064 . 15 1 1 A 80 80 ILE H H 80 8.580 8.491 0.089 1
1 1065 . 15 1 1 A 80 80 ILE HA H 80 4.840 5.001 -0.161 1
1 1075 . 15 1 1 A 80 80 ILE C C 80 175.000 175.960 -0.960 1
1 1076 . 15 1 1 A 80 80 ILE CA C 80 60.300 59.428 0.872 1
1 1077 . 15 1 1 A 80 80 ILE CB C 80 42.800 41.335 1.465 1
1 1081 . 15 1 1 A 80 80 ILE N N 80 117.900 120.376 -2.476 1
1 1082 . 15 1 1 A 81 81 GLY H H 81 8.200 7.366 0.834 1
1 1083 . 15 1 1 A 81 81 GLY HA2 H 81 3.750 3.878 -0.128 1
1 1084 . 15 1 1 A 81 81 GLY HA3 H 81 4.070 4.147 -0.077 1
1 1085 . 15 1 1 A 81 81 GLY C C 81 169.100 171.800 -2.700 1
1 1086 . 15 1 1 A 81 81 GLY CA C 81 46.600 45.656 0.944 1
1 1087 . 15 1 1 A 81 81 GLY N N 81 116.400 112.095 4.305 1
1 1088 . 15 1 1 A 82 82 PHE H H 82 8.210 8.275 -0.065 1
1 1089 . 15 1 1 A 82 82 PHE HA H 82 5.340 5.373 -0.033 1
1 1094 . 15 1 1 A 82 82 PHE C C 82 172.400 172.555 -0.155 1
1 1095 . 15 1 1 A 82 82 PHE CA C 82 56.300 55.699 0.601 1
1 1096 . 15 1 1 A 82 82 PHE CB C 82 40.100 41.968 -1.868 1
1 1099 . 15 1 1 A 82 82 PHE N N 82 114.500 112.750 1.750 1
1 1100 . 15 1 1 A 83 83 ILE H H 83 8.490 9.456 -0.966 1
1 1101 . 15 1 1 A 83 83 ILE HA H 83 4.740 4.769 -0.029 1
1 1111 . 15 1 1 A 83 83 ILE C C 83 175.200 175.685 -0.485 1
1 1112 . 15 1 1 A 83 83 ILE CA C 83 60.400 60.354 0.046 1
1 1113 . 15 1 1 A 83 83 ILE CB C 83 39.500 39.591 -0.091 1
1 1117 . 15 1 1 A 83 83 ILE N N 83 123.400 120.823 2.577 1
1 1118 . 15 1 1 A 84 84 ASP H H 84 8.550 8.431 0.119 1
1 1119 . 15 1 1 A 84 84 ASP HA H 84 5.170 4.863 0.307 1
1 1122 . 15 1 1 A 84 84 ASP C C 84 178.600 176.862 1.738 1
1 1123 . 15 1 1 A 84 84 ASP CA C 84 52.200 54.267 -2.067 1
1 1124 . 15 1 1 A 84 84 ASP CB C 84 42.400 41.429 0.971 1
1 1125 . 15 1 1 A 84 84 ASP N N 84 126.900 127.296 -0.396 1
1 1126 . 15 1 1 A 85 85 GLU H H 85 9.250 9.016 0.234 1
1 1127 . 15 1 1 A 85 85 GLU HA H 85 4.350 4.004 0.346 1
1 1132 . 15 1 1 A 85 85 GLU C C 85 176.800 176.451 0.349 1
1 1133 . 15 1 1 A 85 85 GLU CA C 85 58.400 58.939 -0.539 1
1 1134 . 15 1 1 A 85 85 GLU CB C 85 28.700 28.430 0.270 1
1 1136 . 15 1 1 A 85 85 GLU N N 85 118.000 117.902 0.098 1
1 1137 . 15 1 1 A 86 86 ASN H H 86 8.280 8.635 -0.355 1
1 1138 . 15 1 1 A 86 86 ASN HA H 86 4.760 5.069 -0.309 1
1 1143 . 15 1 1 A 86 86 ASN C C 86 174.600 174.553 0.047 1
1 1144 . 15 1 1 A 86 86 ASN CA C 86 52.800 52.594 0.206 1
1 1145 . 15 1 1 A 86 86 ASN CB C 86 38.900 40.266 -1.366 1
1 1147 . 15 1 1 A 86 86 ASN N N 86 118.300 119.564 -1.264 1
1 1149 . 15 1 1 A 87 87 HIS H H 87 8.570 8.063 0.507 1
1 1150 . 15 1 1 A 87 87 HIS HA H 87 3.940 4.649 -0.709 1
1 1154 . 15 1 1 A 87 87 HIS C C 87 173.600 173.451 0.149 1
1 1155 . 15 1 1 A 87 87 HIS CA C 87 57.000 55.940 1.060 1
1 1156 . 15 1 1 A 87 87 HIS CB C 87 26.700 32.161 -5.461 1
1 1158 . 15 1 1 A 87 87 HIS N N 87 114.000 117.788 -3.788 1
1 1159 . 15 1 1 A 88 88 ASP H H 88 8.210 7.049 1.161 1
1 1160 . 15 1 1 A 88 88 ASP HA H 88 4.840 3.752 1.088 1
1 1163 . 15 1 1 A 88 88 ASP C C 88 174.800 175.340 -0.540 1
1 1164 . 15 1 1 A 88 88 ASP CA C 88 53.900 54.297 -0.397 1
1 1165 . 15 1 1 A 88 88 ASP CB C 88 41.500 39.398 2.102 1
1 1166 . 15 1 1 A 88 88 ASP N N 88 120.300 121.215 -0.915 1
1 1167 . 15 1 1 A 89 89 MET H H 89 8.550 8.167 0.383 1
1 1168 . 15 1 1 A 89 89 MET HA H 89 4.450 4.674 -0.224 1
1 1176 . 15 1 1 A 89 89 MET C C 89 173.400 175.141 -1.741 1
1 1177 . 15 1 1 A 89 89 MET CA C 89 55.800 53.916 1.884 1
1 1178 . 15 1 1 A 89 89 MET CB C 89 34.700 32.410 2.290 1
1 1181 . 15 1 1 A 89 89 MET N N 89 120.400 120.346 0.054 1
1 1182 . 15 1 1 A 90 90 ASP H H 90 8.420 7.643 0.777 1
1 1183 . 15 1 1 A 90 90 ASP HA H 90 4.580 4.807 -0.227 1
1 1186 . 15 1 1 A 90 90 ASP C C 90 174.600 175.305 -0.705 1
1 1187 . 15 1 1 A 90 90 ASP CA C 90 52.300 52.807 -0.507 1
1 1188 . 15 1 1 A 90 90 ASP CB C 90 41.800 42.365 -0.565 1
1 1189 . 15 1 1 A 90 90 ASP N N 90 126.900 122.376 4.524 1
1 1190 . 15 1 1 A 91 91 PHE H H 91 8.350 8.832 -0.482 1
1 1191 . 15 1 1 A 91 91 PHE HA H 91 4.780 4.799 -0.019 1
1 1199 . 15 1 1 A 91 91 PHE C C 91 175.600 175.327 0.273 1
1 1200 . 15 1 1 A 91 91 PHE CA C 91 58.200 56.436 1.764 1
1 1201 . 15 1 1 A 91 91 PHE CB C 91 41.400 41.453 -0.053 1
1 1207 . 15 1 1 A 91 91 PHE N N 91 118.600 121.922 -3.322 1
1 1208 . 15 1 1 A 92 92 LEU H H 92 9.060 9.015 0.045 1
1 1209 . 15 1 1 A 92 92 LEU HA H 92 4.330 4.481 -0.151 1
1 1219 . 15 1 1 A 92 92 LEU C C 92 175.700 176.557 -0.857 1
1 1220 . 15 1 1 A 92 92 LEU CA C 92 55.200 55.830 -0.630 1
1 1221 . 15 1 1 A 92 92 LEU CB C 92 43.500 43.564 -0.064 1
1 1225 . 15 1 1 A 92 92 LEU N N 92 121.100 123.249 -2.149 1
1 1226 . 15 1 1 A 93 93 TYR H H 93 7.970 7.216 0.754 1
1 1227 . 15 1 1 A 93 93 TYR HA H 93 4.780 4.780 0.000 1
1 1234 . 15 1 1 A 93 93 TYR C C 93 172.800 173.093 -0.293 1
1 1235 . 15 1 1 A 93 93 TYR CA C 93 57.600 57.192 0.408 1
1 1236 . 15 1 1 A 93 93 TYR CB C 93 42.500 41.425 1.075 1
1 1241 . 15 1 1 A 93 93 TYR N N 93 118.600 117.190 1.410 1
1 1242 . 15 1 1 A 94 94 LEU H H 94 8.220 8.575 -0.355 1
1 1243 . 15 1 1 A 94 94 LEU HA H 94 5.060 5.009 0.051 1
1 1253 . 15 1 1 A 94 94 LEU C C 94 171.900 174.082 -2.182 1
1 1254 . 15 1 1 A 94 94 LEU CA C 94 55.100 53.307 1.793 1
1 1255 . 15 1 1 A 94 94 LEU CB C 94 44.800 44.574 0.226 1
1 1259 . 15 1 1 A 94 94 LEU N N 94 128.600 130.350 -1.750 1
1 1260 . 15 1 1 A 95 95 HIS H H 95 9.720 8.384 1.336 1
1 1261 . 15 1 1 A 95 95 HIS HA H 95 4.570 4.884 -0.314 1
1 1266 . 15 1 1 A 95 95 HIS C C 95 173.100 173.365 -0.265 1
1 1267 . 15 1 1 A 95 95 HIS CA C 95 55.500 55.204 0.296 1
1 1268 . 15 1 1 A 95 95 HIS CB C 95 35.900 31.915 3.985 1
1 1271 . 15 1 1 A 95 95 HIS N N 95 133.000 126.163 6.837 1
1 1272 . 15 1 1 A 96 96 ASN H H 96 7.670 8.399 -0.729 1
1 1273 . 15 1 1 A 96 96 ASN HA H 96 4.930 4.828 0.102 1
1 1278 . 15 1 1 A 96 96 ASN C C 96 176.100 175.499 0.601 1
1 1279 . 15 1 1 A 96 96 ASN CA C 96 51.000 51.931 -0.931 1
1 1280 . 15 1 1 A 96 96 ASN CB C 96 38.500 37.829 0.671 1
1 1281 . 15 1 1 A 96 96 ASN N N 96 118.600 124.638 -6.038 1
1 1283 . 15 1 1 A 97 97 THR H H 97 10.580 8.474 2.106 1
1 1284 . 15 1 1 A 97 97 THR HA H 97 4.090 4.084 0.006 1
1 1289 . 15 1 1 A 97 97 THR C C 97 174.600 173.761 0.839 1
1 1290 . 15 1 1 A 97 97 THR CA C 97 67.000 62.639 4.361 1
1 1291 . 15 1 1 A 97 97 THR CB C 97 68.300 66.429 1.871 1
1 1293 . 15 1 1 A 97 97 THR N N 97 116.300 117.694 -1.394 1
1 1294 . 15 1 1 A 98 98 VAL H H 98 8.440 8.264 0.176 1
1 1295 . 15 1 1 A 98 98 VAL HA H 98 4.180 3.970 0.210 1
1 1303 . 15 1 1 A 98 98 VAL C C 98 174.800 174.307 0.493 1
1 1304 . 15 1 1 A 98 98 VAL CA C 98 64.400 63.010 1.390 1
1 1305 . 15 1 1 A 98 98 VAL CB C 98 33.100 29.861 3.239 1
1 1308 . 15 1 1 A 98 98 VAL N N 98 123.900 117.302 6.598 1
1 1309 . 15 1 1 A 99 99 MET H H 99 8.590 6.877 1.713 1
1 1310 . 15 1 1 A 99 99 MET HA H 99 4.720 4.679 0.041 1
1 1318 . 15 1 1 A 99 99 MET CA C 99 52.400 53.505 -1.105 1
1 1319 . 15 1 1 A 99 99 MET CB C 99 34.100 32.743 1.357 1
1 1322 . 15 1 1 A 99 99 MET N N 99 118.700 119.513 -0.813 1
1 1323 . 15 1 1 A 100 100 PRO HA H 100 4.210 4.885 -0.675 1
1 1330 . 15 1 1 A 100 100 PRO C C 100 175.900 177.411 -1.511 1
1 1331 . 15 1 1 A 100 100 PRO CA C 100 62.100 62.429 -0.329 1
1 1332 . 15 1 1 A 100 100 PRO CB C 100 31.000 31.754 -0.754 1
1 1335 . 15 1 1 A 101 101 LEU H H 101 9.010 8.186 0.824 1
1 1336 . 15 1 1 A 101 101 LEU HA H 101 4.310 4.271 0.039 1
1 1346 . 15 1 1 A 101 101 LEU C C 101 176.900 176.762 0.138 1
1 1347 . 15 1 1 A 101 101 LEU CA C 101 55.000 55.747 -0.747 1
1 1348 . 15 1 1 A 101 101 LEU CB C 101 42.800 42.114 0.686 1
1 1352 . 15 1 1 A 101 101 LEU N N 101 124.000 120.794 3.206 1
1 1353 . 15 1 1 A 102 102 LEU H H 102 7.620 7.582 0.038 1
1 1354 . 15 1 1 A 102 102 LEU HA H 102 4.360 4.463 -0.103 1
1 1364 . 15 1 1 A 102 102 LEU C C 102 174.800 176.785 -1.985 1
1 1365 . 15 1 1 A 102 102 LEU CA C 102 54.900 55.921 -1.021 1
1 1366 . 15 1 1 A 102 102 LEU CB C 102 45.300 43.538 1.762 1
1 1370 . 15 1 1 A 102 102 LEU N N 102 119.000 117.225 1.775 1
1 1371 . 15 1 1 A 103 103 ASP H H 103 9.120 8.033 1.087 1
1 1372 . 15 1 1 A 103 103 ASP HA H 103 5.100 4.073 1.027 1
1 1375 . 15 1 1 A 103 103 ASP C C 103 174.500 174.918 -0.418 1
1 1376 . 15 1 1 A 103 103 ASP CA C 103 54.900 55.053 -0.153 1
1 1377 . 15 1 1 A 103 103 ASP CB C 103 41.000 39.633 1.367 1
1 1378 . 15 1 1 A 103 103 ASP N N 103 120.700 119.402 1.298 1
1 1379 . 15 1 1 A 104 104 GLN H H 104 8.990 8.050 0.940 1
1 1380 . 15 1 1 A 104 104 GLN HA H 104 4.710 4.217 0.493 1
1 1387 . 15 1 1 A 104 104 GLN C C 104 176.100 175.706 0.394 1
1 1388 . 15 1 1 A 104 104 GLN CA C 104 54.100 55.752 -1.652 1
1 1389 . 15 1 1 A 104 104 GLN CB C 104 28.500 28.822 -0.322 1
1 1392 . 15 1 1 A 104 104 GLN N N 104 125.400 118.892 6.508 1
1 1394 . 15 1 1 A 105 105 ARG H H 105 8.380 8.750 -0.370 1
1 1395 . 15 1 1 A 105 105 ARG HA H 105 3.510 3.985 -0.475 1
1 1402 . 15 1 1 A 105 105 ARG C C 105 177.500 178.106 -0.606 1
1 1403 . 15 1 1 A 105 105 ARG CA C 105 60.200 58.889 1.311 1
1 1404 . 15 1 1 A 105 105 ARG CB C 105 29.400 30.246 -0.846 1
1 1407 . 15 1 1 A 105 105 ARG N N 105 117.700 125.905 -8.205 1
1 1408 . 15 1 1 A 106 106 TYR H H 106 7.800 8.141 -0.341 1
1 1409 . 15 1 1 A 106 106 TYR HA H 106 4.360 4.255 0.105 1
1 1416 . 15 1 1 A 106 106 TYR C C 106 176.800 177.375 -0.575 1
1 1417 . 15 1 1 A 106 106 TYR CA C 106 58.600 60.733 -2.133 1
1 1418 . 15 1 1 A 106 106 TYR CB C 106 36.000 37.070 -1.070 1
1 1423 . 15 1 1 A 106 106 TYR N N 106 118.100 118.096 0.004 1
1 1424 . 15 1 1 A 107 107 LEU H H 107 7.170 6.677 0.493 1
1 1425 . 15 1 1 A 107 107 LEU HA H 107 3.970 3.982 -0.012 1
1 1435 . 15 1 1 A 107 107 LEU C C 107 178.300 177.926 0.374 1
1 1436 . 15 1 1 A 107 107 LEU CA C 107 56.600 57.751 -1.151 1
1 1437 . 15 1 1 A 107 107 LEU CB C 107 41.800 41.095 0.705 1
1 1441 . 15 1 1 A 107 107 LEU N N 107 121.900 124.226 -2.326 1
1 1442 . 15 1 1 A 108 108 LEU H H 108 7.680 7.215 0.465 1
1 1443 . 15 1 1 A 108 108 LEU HA H 108 4.070 3.551 0.519 1
1 1453 . 15 1 1 A 108 108 LEU C C 108 177.500 177.634 -0.134 1
1 1454 . 15 1 1 A 108 108 LEU CA C 108 55.400 57.780 -2.380 1
1 1455 . 15 1 1 A 108 108 LEU CB C 108 41.500 41.759 -0.259 1
1 1459 . 15 1 1 A 108 108 LEU N N 108 115.400 119.820 -4.420 1
1 1460 . 15 1 1 A 109 109 THR H H 109 7.510 7.560 -0.050 1
1 1461 . 15 1 1 A 109 109 THR HA H 109 4.310 4.700 -0.390 1
1 1466 . 15 1 1 A 109 109 THR C C 109 175.300 174.375 0.925 1
1 1467 . 15 1 1 A 109 109 THR CA C 109 61.600 60.916 0.684 1
1 1468 . 15 1 1 A 109 109 THR CB C 109 69.500 69.687 -0.187 1
1 1470 . 15 1 1 A 109 109 THR N N 109 108.800 112.141 -3.341 1
1 1471 . 15 1 1 A 110 110 GLY H H 110 8.010 8.229 -0.219 1
1 1472 . 15 1 1 A 110 110 GLY HA2 H 110 3.950 4.096 -0.146 1
1 1473 . 15 1 1 A 110 110 GLY HA3 H 110 4.030 4.147 -0.117 1
1 1474 . 15 1 1 A 110 110 GLY C C 110 174.500 174.880 -0.380 1
1 1475 . 15 1 1 A 110 110 GLY CA C 110 45.400 45.787 -0.387 1
1 1476 . 15 1 1 A 110 110 GLY N N 110 110.100 111.063 -0.963 1
1 1477 . 15 1 1 A 111 111 GLY H H 111 8.310 8.360 -0.050 1
1 1478 . 15 1 1 A 111 111 GLY HA2 H 111 3.930 4.007 -0.077 1
1 1479 . 15 1 1 A 111 111 GLY HA3 H 111 3.930 4.031 -0.101 1
1 1480 . 15 1 1 A 111 111 GLY C C 111 173.700 174.394 -0.694 1
1 1481 . 15 1 1 A 111 111 GLY CA C 111 45.400 45.465 -0.065 1
1 1482 . 15 1 1 A 111 111 GLY N N 111 108.300 110.859 -2.559 1
1 1483 . 15 1 1 A 112 112 GLN H H 112 8.280 7.942 0.338 1
1 1484 . 15 1 1 A 112 112 GLN HA H 112 4.270 4.366 -0.096 1
1 1491 . 15 1 1 A 112 112 GLN C C 112 175.700 175.480 0.220 1
1 1492 . 15 1 1 A 112 112 GLN CA C 112 55.600 55.777 -0.177 1
1 1493 . 15 1 1 A 112 112 GLN CB C 112 29.200 29.363 -0.163 1
1 1496 . 15 1 1 A 112 112 GLN N N 112 119.200 120.087 -0.887 1
1 1498 . 15 1 1 A 113 113 LEU H H 113 8.260 8.721 -0.461 1
1 1499 . 15 1 1 A 113 113 LEU HA H 113 4.180 4.489 -0.309 1
1 1509 . 15 1 1 A 113 113 LEU C C 113 177.000 178.053 -1.053 1
1 1510 . 15 1 1 A 113 113 LEU CA C 113 55.100 53.909 1.191 1
1 1511 . 15 1 1 A 113 113 LEU CB C 113 42.100 42.253 -0.153 1
1 1515 . 15 1 1 A 113 113 LEU N N 113 122.800 124.398 -1.598 1
1 1516 . 15 1 1 A 114 114 GLU H H 114 8.290 8.595 -0.305 1
1 1517 . 15 1 1 A 114 114 GLU HA H 114 4.140 4.673 -0.533 1
1 1522 . 15 1 1 A 114 114 GLU CA C 114 56.300 55.411 0.889 1
1 1523 . 15 1 1 A 114 114 GLU CB C 114 30.200 28.634 1.566 1
1 1 . 16 1 1 A 2 2 THR HA H 2 4.300 4.279 0.021 1
1 6 . 16 1 1 A 2 2 THR C C 2 174.800 174.867 -0.067 1
1 7 . 16 1 1 A 2 2 THR CA C 2 61.100 64.353 -3.253 1
1 8 . 16 1 1 A 2 2 THR CB C 2 70.400 68.428 1.972 1
1 10 . 16 1 1 A 3 3 LEU H H 3 8.760 8.468 0.292 1
1 11 . 16 1 1 A 3 3 LEU HA H 3 4.110 3.902 0.208 1
1 21 . 16 1 1 A 3 3 LEU C C 3 178.300 179.081 -0.781 1
1 22 . 16 1 1 A 3 3 LEU CA C 3 57.800 57.923 -0.123 1
1 23 . 16 1 1 A 3 3 LEU CB C 3 41.600 41.069 0.531 1
1 27 . 16 1 1 A 3 3 LEU N N 3 123.600 122.183 1.417 1
1 28 . 16 1 1 A 4 4 GLU H H 4 8.740 8.254 0.486 1
1 29 . 16 1 1 A 4 4 GLU HA H 4 3.670 4.016 -0.346 1
1 34 . 16 1 1 A 4 4 GLU C C 4 177.900 179.259 -1.359 1
1 35 . 16 1 1 A 4 4 GLU CA C 4 60.000 59.463 0.537 1
1 36 . 16 1 1 A 4 4 GLU CB C 4 29.200 29.398 -0.198 1
1 38 . 16 1 1 A 4 4 GLU N N 4 116.500 120.670 -4.170 1
1 39 . 16 1 1 A 5 5 LEU H H 5 7.340 8.497 -1.157 1
1 40 . 16 1 1 A 5 5 LEU HA H 5 3.900 3.862 0.038 1
1 50 . 16 1 1 A 5 5 LEU C C 5 178.900 179.336 -0.436 1
1 51 . 16 1 1 A 5 5 LEU CA C 5 56.900 57.953 -1.053 1
1 52 . 16 1 1 A 5 5 LEU CB C 5 41.200 41.328 -0.128 1
1 56 . 16 1 1 A 5 5 LEU N N 5 120.500 120.168 0.332 1
1 57 . 16 1 1 A 6 6 GLN H H 6 8.350 7.949 0.401 1
1 58 . 16 1 1 A 6 6 GLN HA H 6 3.970 4.290 -0.320 1
1 63 . 16 1 1 A 6 6 GLN C C 6 179.700 178.821 0.879 1
1 64 . 16 1 1 A 6 6 GLN CA C 6 59.100 58.631 0.469 1
1 65 . 16 1 1 A 6 6 GLN CB C 6 29.100 28.342 0.758 1
1 67 . 16 1 1 A 6 6 GLN N N 6 120.800 118.048 2.752 1
1 68 . 16 1 1 A 7 7 LEU H H 7 8.620 8.427 0.193 1
1 69 . 16 1 1 A 7 7 LEU HA H 7 4.010 4.233 -0.223 1
1 79 . 16 1 1 A 7 7 LEU C C 7 176.900 178.397 -1.497 1
1 80 . 16 1 1 A 7 7 LEU CA C 7 57.800 57.840 -0.040 1
1 81 . 16 1 1 A 7 7 LEU CB C 7 41.700 41.709 -0.009 1
1 85 . 16 1 1 A 7 7 LEU N N 7 121.000 122.000 -1.000 1
1 86 . 16 1 1 A 8 8 LYS H H 8 7.750 8.009 -0.259 1
1 87 . 16 1 1 A 8 8 LYS HA H 8 3.570 4.012 -0.442 1
1 96 . 16 1 1 A 8 8 LYS C C 8 179.400 179.090 0.310 1
1 97 . 16 1 1 A 8 8 LYS CA C 8 59.000 59.117 -0.117 1
1 98 . 16 1 1 A 8 8 LYS CB C 8 32.400 31.905 0.495 1
1 102 . 16 1 1 A 8 8 LYS N N 8 119.700 119.411 0.289 1
1 103 . 16 1 1 A 9 9 HIS H H 9 8.520 7.653 0.867 1
1 104 . 16 1 1 A 9 9 HIS HA H 9 4.050 4.516 -0.466 1
1 107 . 16 1 1 A 9 9 HIS C C 9 176.500 177.717 -1.217 1
1 108 . 16 1 1 A 9 9 HIS CA C 9 59.400 59.734 -0.334 1
1 109 . 16 1 1 A 9 9 HIS CB C 9 29.900 29.949 -0.049 1
1 110 . 16 1 1 A 9 9 HIS N N 9 120.500 118.281 2.219 1
1 111 . 16 1 1 A 10 10 TYR H H 10 7.990 8.569 -0.579 1
1 112 . 16 1 1 A 10 10 TYR HA H 10 4.160 4.126 0.034 1
1 119 . 16 1 1 A 10 10 TYR C C 10 177.400 177.345 0.055 1
1 120 . 16 1 1 A 10 10 TYR CA C 10 61.800 61.502 0.298 1
1 121 . 16 1 1 A 10 10 TYR CB C 10 39.500 38.846 0.654 1
1 126 . 16 1 1 A 10 10 TYR N N 10 119.200 119.902 -0.702 1
1 127 . 16 1 1 A 11 11 ILE H H 11 8.710 8.706 0.004 1
1 128 . 16 1 1 A 11 11 ILE HA H 11 3.540 3.563 -0.023 1
1 138 . 16 1 1 A 11 11 ILE CA C 11 61.600 64.493 -2.893 1
1 139 . 16 1 1 A 11 11 ILE CB C 11 36.200 37.766 -1.566 1
1 143 . 16 1 1 A 11 11 ILE N N 11 118.900 120.796 -1.896 1
1 144 . 16 1 1 A 12 12 THR HA H 12 3.840 4.120 -0.280 1
1 149 . 16 1 1 A 12 12 THR C C 12 176.900 177.709 -0.809 1
1 150 . 16 1 1 A 12 12 THR CA C 12 66.400 66.261 0.139 1
1 151 . 16 1 1 A 12 12 THR CB C 12 68.300 68.341 -0.041 1
1 153 . 16 1 1 A 13 13 ASN H H 13 7.440 8.558 -1.118 1
1 154 . 16 1 1 A 13 13 ASN HA H 13 4.420 4.508 -0.088 1
1 159 . 16 1 1 A 13 13 ASN C C 13 176.700 178.066 -1.366 1
1 160 . 16 1 1 A 13 13 ASN CA C 13 55.900 56.224 -0.324 1
1 161 . 16 1 1 A 13 13 ASN CB C 13 38.600 38.156 0.444 1
1 163 . 16 1 1 A 13 13 ASN N N 13 118.300 121.607 -3.307 1
1 165 . 16 1 1 A 14 14 LEU H H 14 7.890 7.564 0.326 1
1 166 . 16 1 1 A 14 14 LEU HA H 14 3.660 3.826 -0.166 1
1 176 . 16 1 1 A 14 14 LEU C C 14 177.900 177.663 0.237 1
1 177 . 16 1 1 A 14 14 LEU CA C 14 57.600 57.533 0.067 1
1 178 . 16 1 1 A 14 14 LEU CB C 14 42.600 41.586 1.014 1
1 182 . 16 1 1 A 14 14 LEU N N 14 122.100 121.422 0.678 1
1 183 . 16 1 1 A 15 15 PHE H H 15 7.670 7.640 0.030 1
1 184 . 16 1 1 A 15 15 PHE HA H 15 4.490 4.517 -0.027 1
1 191 . 16 1 1 A 15 15 PHE C C 15 173.800 174.849 -1.049 1
1 192 . 16 1 1 A 15 15 PHE CA C 15 57.900 57.330 0.570 1
1 193 . 16 1 1 A 15 15 PHE CB C 15 38.900 39.264 -0.364 1
1 198 . 16 1 1 A 15 15 PHE N N 15 111.800 113.864 -2.064 1
1 199 . 16 1 1 A 16 16 ASN H H 16 7.450 8.106 -0.656 1
1 200 . 16 1 1 A 16 16 ASN HA H 16 4.420 4.415 0.005 1
1 205 . 16 1 1 A 16 16 ASN C C 16 174.200 174.235 -0.035 1
1 206 . 16 1 1 A 16 16 ASN CA C 16 54.100 53.936 0.164 1
1 207 . 16 1 1 A 16 16 ASN CB C 16 36.500 36.208 0.292 1
1 209 . 16 1 1 A 16 16 ASN N N 16 118.500 115.667 2.833 1
1 211 . 16 1 1 A 17 17 LEU H H 17 8.410 8.177 0.233 1
1 212 . 16 1 1 A 17 17 LEU HA H 17 4.630 4.615 0.015 1
1 222 . 16 1 1 A 17 17 LEU CA C 17 52.300 52.594 -0.294 1
1 223 . 16 1 1 A 17 17 LEU CB C 17 41.000 41.455 -0.455 1
1 227 . 16 1 1 A 17 17 LEU N N 17 118.700 120.527 -1.827 1
1 228 . 16 1 1 A 18 18 PRO HA H 18 4.380 4.589 -0.209 1
1 235 . 16 1 1 A 18 18 PRO C C 18 178.600 177.316 1.284 1
1 236 . 16 1 1 A 18 18 PRO CA C 18 63.100 63.288 -0.188 1
1 237 . 16 1 1 A 18 18 PRO CB C 18 31.800 31.970 -0.170 1
1 240 . 16 1 1 A 19 19 ARG H H 19 8.650 8.791 -0.141 1
1 241 . 16 1 1 A 19 19 ARG HA H 19 3.820 4.331 -0.511 1
1 248 . 16 1 1 A 19 19 ARG C C 19 176.500 176.798 -0.298 1
1 249 . 16 1 1 A 19 19 ARG CA C 19 58.100 57.370 0.730 1
1 250 . 16 1 1 A 19 19 ARG CB C 19 30.300 30.486 -0.186 1
1 253 . 16 1 1 A 19 19 ARG N N 19 124.600 122.560 2.040 1
1 254 . 16 1 1 A 20 20 ASP H H 20 8.390 8.342 0.048 1
1 255 . 16 1 1 A 20 20 ASP HA H 20 4.550 4.516 0.034 1
1 258 . 16 1 1 A 20 20 ASP C C 20 175.700 175.473 0.227 1
1 259 . 16 1 1 A 20 20 ASP CA C 20 53.000 54.000 -1.000 1
1 260 . 16 1 1 A 20 20 ASP CB C 20 40.400 39.639 0.761 1
1 261 . 16 1 1 A 20 20 ASP N N 20 114.300 116.734 -2.434 1
1 262 . 16 1 1 A 21 21 GLU H H 21 6.780 7.768 -0.988 1
1 263 . 16 1 1 A 21 21 GLU HA H 21 4.150 4.833 -0.683 1
1 268 . 16 1 1 A 21 21 GLU C C 21 175.400 175.494 -0.094 1
1 269 . 16 1 1 A 21 21 GLU CA C 21 56.200 55.426 0.774 1
1 270 . 16 1 1 A 21 21 GLU CB C 21 31.600 31.671 -0.071 1
1 272 . 16 1 1 A 21 21 GLU N N 21 121.600 121.484 0.116 1
1 273 . 16 1 1 A 22 22 LYS H H 22 8.860 8.664 0.196 1
1 274 . 16 1 1 A 22 22 LYS HA H 22 4.160 4.338 -0.178 1
1 283 . 16 1 1 A 22 22 LYS C C 22 176.100 175.999 0.101 1
1 284 . 16 1 1 A 22 22 LYS CA C 22 57.200 55.956 1.244 1
1 285 . 16 1 1 A 22 22 LYS CB C 22 33.000 33.389 -0.389 1
1 289 . 16 1 1 A 22 22 LYS N N 22 128.900 128.297 0.603 1
1 290 . 16 1 1 A 23 23 TRP H H 23 8.750 8.637 0.113 1
1 291 . 16 1 1 A 23 23 TRP HA H 23 5.400 4.986 0.414 1
1 300 . 16 1 1 A 23 23 TRP C C 23 176.500 175.633 0.867 1
1 301 . 16 1 1 A 23 23 TRP CA C 23 54.600 56.827 -2.227 1
1 302 . 16 1 1 A 23 23 TRP CB C 23 31.100 31.817 -0.717 1
1 308 . 16 1 1 A 23 23 TRP N N 23 126.100 127.043 -0.943 1
1 310 . 16 1 1 A 24 24 GLU H H 24 9.040 8.348 0.692 1
1 311 . 16 1 1 A 24 24 GLU HA H 24 4.590 4.794 -0.204 1
1 316 . 16 1 1 A 24 24 GLU C C 24 174.100 176.035 -1.935 1
1 317 . 16 1 1 A 24 24 GLU CA C 24 54.200 55.055 -0.855 1
1 318 . 16 1 1 A 24 24 GLU CB C 24 31.600 31.410 0.190 1
1 320 . 16 1 1 A 24 24 GLU N N 24 122.700 119.818 2.882 1
1 321 . 16 1 1 A 25 25 CYS H H 25 8.740 8.748 -0.008 1
1 322 . 16 1 1 A 25 25 CYS HA H 25 4.870 4.334 0.536 1
1 325 . 16 1 1 A 25 25 CYS C C 25 174.400 174.054 0.346 1
1 326 . 16 1 1 A 25 25 CYS CA C 25 57.200 58.752 -1.552 1
1 327 . 16 1 1 A 25 25 CYS CB C 25 30.200 28.776 1.424 1
1 328 . 16 1 1 A 25 25 CYS N N 25 119.900 125.207 -5.307 1
1 329 . 16 1 1 A 26 26 GLU H H 26 9.220 8.062 1.158 1
1 330 . 16 1 1 A 26 26 GLU HA H 26 4.740 4.876 -0.136 1
1 335 . 16 1 1 A 26 26 GLU C C 26 175.000 174.188 0.812 1
1 336 . 16 1 1 A 26 26 GLU CA C 26 55.100 55.085 0.015 1
1 337 . 16 1 1 A 26 26 GLU CB C 26 31.700 32.872 -1.172 1
1 339 . 16 1 1 A 26 26 GLU N N 26 131.200 123.396 7.804 1
1 340 . 16 1 1 A 27 27 SER H H 27 8.900 8.862 0.038 1
1 341 . 16 1 1 A 27 27 SER HA H 27 5.750 5.269 0.481 1
1 344 . 16 1 1 A 27 27 SER C C 27 173.600 173.245 0.355 1
1 345 . 16 1 1 A 27 27 SER CA C 27 56.700 56.916 -0.216 1
1 346 . 16 1 1 A 27 27 SER CB C 27 64.200 64.111 0.089 1
1 347 . 16 1 1 A 27 27 SER N N 27 125.100 122.583 2.517 1
1 348 . 16 1 1 A 28 28 ILE H H 28 8.540 8.463 0.077 1
1 349 . 16 1 1 A 28 28 ILE HA H 28 4.680 4.699 -0.019 1
1 359 . 16 1 1 A 28 28 ILE C C 28 174.100 174.095 0.005 1
1 360 . 16 1 1 A 28 28 ILE CA C 28 59.800 59.292 0.508 1
1 361 . 16 1 1 A 28 28 ILE CB C 28 42.700 41.562 1.138 1
1 365 . 16 1 1 A 28 28 ILE N N 28 123.200 126.578 -3.378 1
1 366 . 16 1 1 A 29 29 GLU H H 29 8.430 8.572 -0.142 1
1 367 . 16 1 1 A 29 29 GLU HA H 29 5.430 4.995 0.435 1
1 372 . 16 1 1 A 29 29 GLU C C 29 176.000 176.183 -0.183 1
1 373 . 16 1 1 A 29 29 GLU CA C 29 55.600 55.721 -0.121 1
1 374 . 16 1 1 A 29 29 GLU CB C 29 31.200 31.042 0.158 1
1 376 . 16 1 1 A 29 29 GLU N N 29 123.900 127.016 -3.116 1
1 377 . 16 1 1 A 30 30 GLU H H 30 8.850 8.642 0.208 1
1 378 . 16 1 1 A 30 30 GLU HA H 30 4.730 5.032 -0.302 1
1 383 . 16 1 1 A 30 30 GLU C C 30 174.300 175.946 -1.646 1
1 384 . 16 1 1 A 30 30 GLU CA C 30 54.700 54.285 0.415 1
1 385 . 16 1 1 A 30 30 GLU CB C 30 34.400 34.158 0.242 1
1 387 . 16 1 1 A 30 30 GLU N N 30 121.900 123.786 -1.886 1
1 388 . 16 1 1 A 31 31 VAL H H 31 9.260 8.915 0.345 1
1 389 . 16 1 1 A 31 31 VAL HA H 31 4.250 4.089 0.161 1
1 397 . 16 1 1 A 31 31 VAL C C 31 177.700 177.063 0.637 1
1 398 . 16 1 1 A 31 31 VAL CA C 31 62.500 63.290 -0.790 1
1 399 . 16 1 1 A 31 31 VAL CB C 31 31.800 31.781 0.019 1
1 402 . 16 1 1 A 31 31 VAL N N 31 124.500 122.897 1.603 1
1 403 . 16 1 1 A 32 32 ALA H H 32 9.250 8.749 0.501 1
1 404 . 16 1 1 A 32 32 ALA HA H 32 3.710 3.964 -0.254 1
1 408 . 16 1 1 A 32 32 ALA C C 32 178.600 179.177 -0.577 1
1 409 . 16 1 1 A 32 32 ALA CA C 32 55.800 55.196 0.604 1
1 410 . 16 1 1 A 32 32 ALA CB C 32 19.400 18.281 1.119 1
1 411 . 16 1 1 A 32 32 ALA N N 32 129.900 128.141 1.759 1
1 412 . 16 1 1 A 33 33 ASP H H 33 9.510 8.045 1.465 1
1 413 . 16 1 1 A 33 33 ASP HA H 33 4.180 4.423 -0.243 1
1 416 . 16 1 1 A 33 33 ASP C C 33 176.300 176.875 -0.575 1
1 417 . 16 1 1 A 33 33 ASP CA C 33 54.600 56.192 -1.592 1
1 418 . 16 1 1 A 33 33 ASP CB C 33 39.200 40.306 -1.106 1
1 419 . 16 1 1 A 33 33 ASP N N 33 110.700 118.606 -7.906 1
1 420 . 16 1 1 A 34 34 ASP H H 34 7.830 7.880 -0.050 1
1 421 . 16 1 1 A 34 34 ASP HA H 34 4.650 4.600 0.050 1
1 424 . 16 1 1 A 34 34 ASP C C 34 176.300 176.394 -0.094 1
1 425 . 16 1 1 A 34 34 ASP CA C 34 55.100 55.208 -0.108 1
1 426 . 16 1 1 A 34 34 ASP CB C 34 41.000 41.286 -0.286 1
1 427 . 16 1 1 A 34 34 ASP N N 34 114.700 117.019 -2.319 1
1 428 . 16 1 1 A 35 35 ILE H H 35 7.290 7.960 -0.670 1
1 429 . 16 1 1 A 35 35 ILE HA H 35 4.490 4.462 0.028 1
1 439 . 16 1 1 A 35 35 ILE C C 35 174.100 175.298 -1.198 1
1 440 . 16 1 1 A 35 35 ILE CA C 35 60.700 62.374 -1.674 1
1 441 . 16 1 1 A 35 35 ILE CB C 35 40.600 41.014 -0.414 1
1 445 . 16 1 1 A 35 35 ILE N N 35 113.400 119.121 -5.721 1
1 446 . 16 1 1 A 36 36 LEU H H 36 7.730 8.572 -0.842 1
1 447 . 16 1 1 A 36 36 LEU HA H 36 4.800 4.460 0.340 1
1 457 . 16 1 1 A 36 36 LEU CA C 36 52.200 52.460 -0.260 1
1 458 . 16 1 1 A 36 36 LEU CB C 36 42.700 41.977 0.723 1
1 462 . 16 1 1 A 36 36 LEU N N 36 120.400 123.882 -3.482 1
1 463 . 16 1 1 A 37 37 PRO HA H 37 4.440 4.568 -0.128 1
1 470 . 16 1 1 A 37 37 PRO C C 37 177.100 177.488 -0.388 1
1 471 . 16 1 1 A 37 37 PRO CA C 37 63.100 63.121 -0.021 1
1 472 . 16 1 1 A 37 37 PRO CB C 37 32.700 32.936 -0.236 1
1 475 . 16 1 1 A 38 38 ASP H H 38 8.690 9.028 -0.338 1
1 476 . 16 1 1 A 38 38 ASP HA H 38 4.230 4.318 -0.088 1
1 479 . 16 1 1 A 38 38 ASP C C 38 177.800 177.998 -0.198 1
1 480 . 16 1 1 A 38 38 ASP CA C 38 57.900 57.051 0.849 1
1 481 . 16 1 1 A 38 38 ASP CB C 38 42.200 40.717 1.483 1
1 482 . 16 1 1 A 38 38 ASP N N 38 123.800 124.527 -0.727 1
1 483 . 16 1 1 A 39 39 GLN H H 39 9.080 8.251 0.829 1
1 484 . 16 1 1 A 39 39 GLN HA H 39 3.990 4.004 -0.014 1
1 491 . 16 1 1 A 39 39 GLN C C 39 176.400 177.137 -0.737 1
1 492 . 16 1 1 A 39 39 GLN CA C 39 58.000 58.504 -0.504 1
1 493 . 16 1 1 A 39 39 GLN CB C 39 27.300 27.988 -0.688 1
1 496 . 16 1 1 A 39 39 GLN N N 39 115.100 119.474 -4.374 1
1 498 . 16 1 1 A 40 40 TYR H H 40 7.510 7.601 -0.091 1
1 499 . 16 1 1 A 40 40 TYR HA H 40 4.730 4.401 0.329 1
1 506 . 16 1 1 A 40 40 TYR C C 40 174.200 176.967 -2.767 1
1 507 . 16 1 1 A 40 40 TYR CA C 40 57.000 58.443 -1.443 1
1 508 . 16 1 1 A 40 40 TYR CB C 40 39.400 38.372 1.028 1
1 513 . 16 1 1 A 40 40 TYR N N 40 116.800 117.169 -0.369 1
1 514 . 16 1 1 A 41 41 VAL H H 41 7.370 7.524 -0.154 1
1 515 . 16 1 1 A 41 41 VAL HA H 41 4.000 4.331 -0.331 1
1 523 . 16 1 1 A 41 41 VAL C C 41 175.400 176.448 -1.048 1
1 524 . 16 1 1 A 41 41 VAL CA C 41 62.800 62.425 0.375 1
1 525 . 16 1 1 A 41 41 VAL CB C 41 34.300 32.025 2.275 1
1 528 . 16 1 1 A 41 41 VAL N N 41 116.100 117.861 -1.761 1
1 529 . 16 1 1 A 42 42 ARG H H 42 7.990 7.975 0.015 1
1 530 . 16 1 1 A 42 42 ARG HA H 42 3.970 4.001 -0.031 1
1 537 . 16 1 1 A 42 42 ARG C C 42 176.600 178.601 -2.001 1
1 538 . 16 1 1 A 42 42 ARG CA C 42 58.500 58.832 -0.332 1
1 539 . 16 1 1 A 42 42 ARG CB C 42 29.700 29.856 -0.156 1
1 542 . 16 1 1 A 42 42 ARG N N 42 120.900 122.627 -1.727 1
1 543 . 16 1 1 A 43 43 LEU H H 43 8.930 7.664 1.266 1
1 544 . 16 1 1 A 43 43 LEU HA H 43 4.060 4.007 0.053 1
1 554 . 16 1 1 A 43 43 LEU C C 43 176.200 177.596 -1.396 1
1 555 . 16 1 1 A 43 43 LEU CA C 43 56.100 57.713 -1.613 1
1 556 . 16 1 1 A 43 43 LEU CB C 43 40.100 41.726 -1.626 1
1 560 . 16 1 1 A 43 43 LEU N N 43 119.500 119.866 -0.366 1
1 561 . 16 1 1 A 44 44 GLY H H 44 7.890 7.473 0.417 1
1 562 . 16 1 1 A 44 44 GLY HA2 H 44 3.930 3.977 -0.047 1
1 563 . 16 1 1 A 44 44 GLY HA3 H 44 4.540 3.977 0.563 1
1 564 . 16 1 1 A 44 44 GLY CA C 44 44.900 45.929 -1.029 1
1 565 . 16 1 1 A 44 44 GLY N N 44 107.000 104.208 2.792 1
1 566 . 16 1 1 A 45 45 PRO HA H 45 4.360 4.275 0.085 1
1 573 . 16 1 1 A 45 45 PRO C C 45 176.900 177.839 -0.939 1
1 574 . 16 1 1 A 45 45 PRO CA C 45 64.400 65.183 -0.783 1
1 575 . 16 1 1 A 45 45 PRO CB C 45 31.900 31.175 0.725 1
1 578 . 16 1 1 A 46 46 LEU H H 46 8.660 7.838 0.822 1
1 579 . 16 1 1 A 46 46 LEU HA H 46 3.970 4.225 -0.255 1
1 589 . 16 1 1 A 46 46 LEU C C 46 176.300 176.714 -0.414 1
1 590 . 16 1 1 A 46 46 LEU CA C 46 55.900 55.333 0.567 1
1 591 . 16 1 1 A 46 46 LEU CB C 46 43.500 41.904 1.596 1
1 595 . 16 1 1 A 46 46 LEU N N 46 117.000 116.031 0.969 1
1 596 . 16 1 1 A 47 47 SER H H 47 7.160 8.125 -0.965 1
1 597 . 16 1 1 A 47 47 SER HA H 47 4.080 4.249 -0.169 1
1 600 . 16 1 1 A 47 47 SER C C 47 176.600 175.384 1.216 1
1 601 . 16 1 1 A 47 47 SER CA C 47 59.100 58.749 0.351 1
1 602 . 16 1 1 A 47 47 SER CB C 47 62.800 63.151 -0.351 1
1 603 . 16 1 1 A 47 47 SER N N 47 110.300 115.659 -5.359 1
1 604 . 16 1 1 A 48 48 ASN H H 48 11.000 8.788 2.212 1
1 605 . 16 1 1 A 48 48 ASN HA H 48 4.090 4.288 -0.198 1
1 610 . 16 1 1 A 48 48 ASN C C 48 174.700 173.881 0.819 1
1 611 . 16 1 1 A 48 48 ASN CA C 48 55.200 54.785 0.415 1
1 612 . 16 1 1 A 48 48 ASN CB C 48 38.300 37.405 0.895 1
1 614 . 16 1 1 A 48 48 ASN N N 48 123.200 120.580 2.620 1
1 616 . 16 1 1 A 49 49 LYS H H 49 7.830 7.388 0.442 1
1 617 . 16 1 1 A 49 49 LYS HA H 49 4.360 4.454 -0.094 1
1 626 . 16 1 1 A 49 49 LYS C C 49 175.100 175.861 -0.761 1
1 627 . 16 1 1 A 49 49 LYS CA C 49 56.100 55.730 0.370 1
1 628 . 16 1 1 A 49 49 LYS CB C 49 33.200 33.779 -0.579 1
1 632 . 16 1 1 A 49 49 LYS N N 49 119.400 120.179 -0.779 1
1 633 . 16 1 1 A 50 50 ILE H H 50 8.570 8.417 0.153 1
1 634 . 16 1 1 A 50 50 ILE HA H 50 4.160 4.387 -0.227 1
1 644 . 16 1 1 A 50 50 ILE C C 50 175.000 175.498 -0.498 1
1 645 . 16 1 1 A 50 50 ILE CA C 50 61.200 60.624 0.576 1
1 646 . 16 1 1 A 50 50 ILE CB C 50 36.900 37.400 -0.500 1
1 650 . 16 1 1 A 50 50 ILE N N 50 123.000 125.650 -2.650 1
1 651 . 16 1 1 A 51 51 LEU H H 51 9.270 8.872 0.398 1
1 652 . 16 1 1 A 51 51 LEU HA H 51 5.170 5.168 0.002 1
1 662 . 16 1 1 A 51 51 LEU C C 51 176.300 176.157 0.143 1
1 663 . 16 1 1 A 51 51 LEU CA C 51 52.500 53.215 -0.715 1
1 664 . 16 1 1 A 51 51 LEU CB C 51 42.600 44.389 -1.789 1
1 668 . 16 1 1 A 51 51 LEU N N 51 127.000 128.966 -1.966 1
1 669 . 16 1 1 A 52 52 GLN H H 52 9.110 8.699 0.411 1
1 670 . 16 1 1 A 52 52 GLN HA H 52 4.590 4.660 -0.070 1
1 677 . 16 1 1 A 52 52 GLN C C 52 175.000 175.328 -0.328 1
1 678 . 16 1 1 A 52 52 GLN CA C 52 56.800 55.691 1.109 1
1 679 . 16 1 1 A 52 52 GLN CB C 52 29.200 29.070 0.130 1
1 682 . 16 1 1 A 52 52 GLN N N 52 122.700 123.665 -0.965 1
1 684 . 16 1 1 A 53 53 THR H H 53 9.110 8.481 0.629 1
1 685 . 16 1 1 A 53 53 THR HA H 53 4.730 4.946 -0.216 1
1 690 . 16 1 1 A 53 53 THR C C 53 172.500 174.435 -1.935 1
1 691 . 16 1 1 A 53 53 THR CA C 53 60.500 61.577 -1.077 1
1 692 . 16 1 1 A 53 53 THR CB C 53 69.800 70.029 -0.229 1
1 694 . 16 1 1 A 53 53 THR N N 53 121.500 117.585 3.915 1
1 695 . 16 1 1 A 54 54 ASN H H 54 8.210 9.009 -0.799 1
1 696 . 16 1 1 A 54 54 ASN HA H 54 5.400 5.432 -0.032 1
1 701 . 16 1 1 A 54 54 ASN C C 54 172.900 173.701 -0.801 1
1 702 . 16 1 1 A 54 54 ASN CA C 54 52.400 52.096 0.304 1
1 703 . 16 1 1 A 54 54 ASN CB C 54 40.900 40.410 0.490 1
1 705 . 16 1 1 A 54 54 ASN N N 54 125.400 121.529 3.871 1
1 707 . 16 1 1 A 55 55 THR H H 55 8.510 8.353 0.157 1
1 708 . 16 1 1 A 55 55 THR HA H 55 5.120 4.718 0.402 1
1 713 . 16 1 1 A 55 55 THR C C 55 172.800 173.327 -0.527 1
1 714 . 16 1 1 A 55 55 THR CA C 55 61.400 61.700 -0.300 1
1 715 . 16 1 1 A 55 55 THR CB C 55 69.700 70.089 -0.389 1
1 717 . 16 1 1 A 55 55 THR N N 55 119.300 120.689 -1.389 1
1 718 . 16 1 1 A 56 56 TYR H H 56 8.460 8.911 -0.451 1
1 719 . 16 1 1 A 56 56 TYR HA H 56 5.260 5.492 -0.232 1
1 726 . 16 1 1 A 56 56 TYR C C 56 173.400 174.843 -1.443 1
1 727 . 16 1 1 A 56 56 TYR CA C 56 57.500 56.388 1.112 1
1 728 . 16 1 1 A 56 56 TYR CB C 56 41.400 41.170 0.230 1
1 733 . 16 1 1 A 56 56 TYR N N 56 125.400 125.441 -0.041 1
1 734 . 16 1 1 A 57 57 TYR H H 57 8.450 8.496 -0.046 1
1 735 . 16 1 1 A 57 57 TYR HA H 57 4.530 5.787 -1.257 1
1 742 . 16 1 1 A 57 57 TYR C C 57 172.400 173.407 -1.007 1
1 743 . 16 1 1 A 57 57 TYR CA C 57 56.600 55.581 1.019 1
1 744 . 16 1 1 A 57 57 TYR CB C 57 41.700 42.715 -1.015 1
1 749 . 16 1 1 A 57 57 TYR N N 57 113.900 119.821 -5.921 1
1 750 . 16 1 1 A 58 58 SER H H 58 7.100 8.728 -1.628 1
1 751 . 16 1 1 A 58 58 SER HA H 58 4.750 5.082 -0.332 1
1 754 . 16 1 1 A 58 58 SER C C 58 173.800 173.816 -0.016 1
1 755 . 16 1 1 A 58 58 SER CA C 58 56.600 55.951 0.649 1
1 756 . 16 1 1 A 58 58 SER CB C 58 65.600 65.458 0.142 1
1 757 . 16 1 1 A 58 58 SER N N 58 114.200 114.490 -0.290 1
1 758 . 16 1 1 A 59 59 ASP H H 59 9.140 9.126 0.014 1
1 759 . 16 1 1 A 59 59 ASP HA H 59 4.550 4.336 0.214 1
1 762 . 16 1 1 A 59 59 ASP C C 59 179.000 178.994 0.006 1
1 763 . 16 1 1 A 59 59 ASP CA C 59 58.500 57.911 0.589 1
1 764 . 16 1 1 A 59 59 ASP CB C 59 40.400 40.300 0.100 1
1 765 . 16 1 1 A 59 59 ASP N N 59 121.800 125.405 -3.605 1
1 766 . 16 1 1 A 60 60 THR H H 60 9.060 7.993 1.067 1
1 767 . 16 1 1 A 60 60 THR HA H 60 4.000 3.991 0.009 1
1 772 . 16 1 1 A 60 60 THR C C 60 178.000 177.627 0.373 1
1 773 . 16 1 1 A 60 60 THR CA C 60 67.300 65.527 1.773 1
1 774 . 16 1 1 A 60 60 THR CB C 60 67.300 68.414 -1.114 1
1 776 . 16 1 1 A 60 60 THR N N 60 114.800 113.069 1.731 1
1 777 . 16 1 1 A 61 61 LEU H H 61 7.950 7.908 0.042 1
1 778 . 16 1 1 A 61 61 LEU HA H 61 3.610 3.665 -0.055 1
1 788 . 16 1 1 A 61 61 LEU C C 61 178.900 178.928 -0.028 1
1 789 . 16 1 1 A 61 61 LEU CA C 61 58.600 57.486 1.114 1
1 790 . 16 1 1 A 61 61 LEU CB C 61 39.500 41.456 -1.956 1
1 794 . 16 1 1 A 61 61 LEU N N 61 126.100 122.248 3.852 1
1 795 . 16 1 1 A 62 62 HIS H H 62 8.260 8.159 0.101 1
1 796 . 16 1 1 A 62 62 HIS HA H 62 4.470 3.815 0.655 1
1 800 . 16 1 1 A 62 62 HIS C C 62 178.900 177.280 1.620 1
1 801 . 16 1 1 A 62 62 HIS CA C 62 58.600 60.134 -1.534 1
1 802 . 16 1 1 A 62 62 HIS CB C 62 29.500 30.006 -0.506 1
1 804 . 16 1 1 A 62 62 HIS N N 62 116.000 117.726 -1.726 1
1 805 . 16 1 1 A 63 63 LYS H H 63 7.790 7.954 -0.164 1
1 806 . 16 1 1 A 63 63 LYS HA H 63 3.960 3.956 0.004 1
1 815 . 16 1 1 A 63 63 LYS C C 63 177.900 179.092 -1.192 1
1 816 . 16 1 1 A 63 63 LYS CA C 63 59.200 59.546 -0.346 1
1 817 . 16 1 1 A 63 63 LYS CB C 63 32.400 32.090 0.310 1
1 821 . 16 1 1 A 63 63 LYS N N 63 119.100 119.303 -0.203 1
1 822 . 16 1 1 A 64 64 SER H H 64 7.580 7.717 -0.137 1
1 823 . 16 1 1 A 64 64 SER HA H 64 4.260 4.280 -0.020 1
1 826 . 16 1 1 A 64 64 SER C C 64 172.100 174.435 -2.335 1
1 827 . 16 1 1 A 64 64 SER CA C 64 59.300 58.748 0.552 1
1 828 . 16 1 1 A 64 64 SER CB C 64 63.600 63.876 -0.276 1
1 829 . 16 1 1 A 64 64 SER N N 64 112.470 111.066 1.404 1
1 830 . 16 1 1 A 65 65 ASN H H 65 7.760 7.659 0.101 1
1 831 . 16 1 1 A 65 65 ASN HA H 65 3.870 4.059 -0.189 1
1 836 . 16 1 1 A 65 65 ASN C C 65 171.100 173.610 -2.510 1
1 837 . 16 1 1 A 65 65 ASN CA C 65 54.300 54.289 0.011 1
1 838 . 16 1 1 A 65 65 ASN CB C 65 37.500 36.782 0.718 1
1 840 . 16 1 1 A 65 65 ASN N N 65 117.600 115.227 2.373 1
1 842 . 16 1 1 A 66 66 ILE H H 66 6.820 7.083 -0.263 1
1 843 . 16 1 1 A 66 66 ILE HA H 66 4.590 4.349 0.241 1
1 853 . 16 1 1 A 66 66 ILE C C 66 174.000 173.651 0.349 1
1 854 . 16 1 1 A 66 66 ILE CA C 66 58.200 59.919 -1.719 1
1 855 . 16 1 1 A 66 66 ILE CB C 66 40.200 39.964 0.236 1
1 859 . 16 1 1 A 66 66 ILE N N 66 113.900 118.044 -4.144 1
1 860 . 16 1 1 A 67 67 TYR H H 67 8.530 8.560 -0.030 1
1 861 . 16 1 1 A 67 67 TYR HA H 67 5.050 4.944 0.106 1
1 868 . 16 1 1 A 67 67 TYR CA C 67 54.000 55.103 -1.103 1
1 869 . 16 1 1 A 67 67 TYR CB C 67 39.400 40.123 -0.723 1
1 874 . 16 1 1 A 67 67 TYR N N 67 120.200 125.709 -5.509 1
1 875 . 16 1 1 A 68 68 PRO HA H 68 5.120 5.069 0.051 1
1 882 . 16 1 1 A 68 68 PRO C C 68 174.600 175.887 -1.287 1
1 883 . 16 1 1 A 68 68 PRO CA C 68 61.500 62.939 -1.439 1
1 884 . 16 1 1 A 68 68 PRO CB C 68 32.200 31.974 0.226 1
1 887 . 16 1 1 A 69 69 PHE H H 69 8.870 8.826 0.044 1
1 888 . 16 1 1 A 69 69 PHE HA H 69 6.330 5.389 0.941 1
1 896 . 16 1 1 A 69 69 PHE C C 69 173.000 173.990 -0.990 1
1 897 . 16 1 1 A 69 69 PHE CA C 69 56.300 56.659 -0.359 1
1 898 . 16 1 1 A 69 69 PHE CB C 69 42.900 42.586 0.314 1
1 903 . 16 1 1 A 69 69 PHE N N 69 118.400 124.164 -5.764 1
1 904 . 16 1 1 A 70 70 ILE H H 70 9.060 8.947 0.113 1
1 905 . 16 1 1 A 70 70 ILE HA H 70 4.840 4.855 -0.015 1
1 915 . 16 1 1 A 70 70 ILE C C 70 175.700 174.709 0.991 1
1 916 . 16 1 1 A 70 70 ILE CA C 70 61.900 60.522 1.378 1
1 917 . 16 1 1 A 70 70 ILE CB C 70 43.000 42.868 0.132 1
1 921 . 16 1 1 A 70 70 ILE N N 70 117.700 129.233 -11.533 1
1 922 . 16 1 1 A 71 71 LEU H H 71 9.320 8.831 0.489 1
1 923 . 16 1 1 A 71 71 LEU HA H 71 5.720 5.228 0.492 1
1 933 . 16 1 1 A 71 71 LEU C C 71 175.600 175.151 0.449 1
1 934 . 16 1 1 A 71 71 LEU CA C 71 52.400 54.219 -1.819 1
1 935 . 16 1 1 A 71 71 LEU CB C 71 43.700 43.483 0.217 1
1 939 . 16 1 1 A 71 71 LEU N N 71 124.800 126.452 -1.652 1
1 940 . 16 1 1 A 72 72 TYR H H 72 9.250 9.150 0.100 1
1 941 . 16 1 1 A 72 72 TYR HA H 72 5.350 5.333 0.017 1
1 948 . 16 1 1 A 72 72 TYR C C 72 174.100 174.533 -0.433 1
1 949 . 16 1 1 A 72 72 TYR CA C 72 57.300 56.521 0.779 1
1 950 . 16 1 1 A 72 72 TYR CB C 72 44.500 43.650 0.850 1
1 955 . 16 1 1 A 72 72 TYR N N 72 120.700 121.998 -1.298 1
1 956 . 16 1 1 A 73 73 TYR H H 73 9.250 8.919 0.331 1
1 957 . 16 1 1 A 73 73 TYR HA H 73 5.110 4.962 0.148 1
1 964 . 16 1 1 A 73 73 TYR C C 73 174.500 175.179 -0.679 1
1 965 . 16 1 1 A 73 73 TYR CA C 73 56.500 57.677 -1.177 1
1 966 . 16 1 1 A 73 73 TYR CB C 73 40.400 41.628 -1.228 1
1 971 . 16 1 1 A 73 73 TYR N N 73 120.300 124.365 -4.065 1
1 972 . 16 1 1 A 74 74 GLN H H 74 9.310 8.864 0.446 1
1 973 . 16 1 1 A 74 74 GLN HA H 74 3.530 3.688 -0.158 1
1 980 . 16 1 1 A 74 74 GLN C C 74 175.400 174.516 0.884 1
1 981 . 16 1 1 A 74 74 GLN CA C 74 57.200 58.285 -1.085 1
1 982 . 16 1 1 A 74 74 GLN CB C 74 25.500 26.865 -1.365 1
1 985 . 16 1 1 A 74 74 GLN N N 74 126.000 125.891 0.109 1
1 987 . 16 1 1 A 75 75 LYS H H 75 8.530 8.462 0.068 1
1 988 . 16 1 1 A 75 75 LYS HA H 75 3.820 4.500 -0.680 1
1 997 . 16 1 1 A 75 75 LYS C C 75 175.500 174.382 1.118 1
1 998 . 16 1 1 A 75 75 LYS CA C 75 57.300 55.739 1.561 1
1 999 . 16 1 1 A 75 75 LYS CB C 75 30.900 32.544 -1.644 1
1 1003 . 16 1 1 A 75 75 LYS N N 75 113.600 117.460 -3.860 1
1 1004 . 16 1 1 A 76 76 GLN H H 76 8.550 8.220 0.330 1
1 1005 . 16 1 1 A 76 76 GLN HA H 76 4.470 4.703 -0.233 1
1 1012 . 16 1 1 A 76 76 GLN C C 76 175.400 173.871 1.529 1
1 1013 . 16 1 1 A 76 76 GLN CA C 76 54.700 55.597 -0.897 1
1 1014 . 16 1 1 A 76 76 GLN CB C 76 29.900 33.182 -3.282 1
1 1017 . 16 1 1 A 76 76 GLN N N 76 122.200 123.853 -1.653 1
1 1019 . 16 1 1 A 77 77 LEU H H 77 8.860 8.928 -0.068 1
1 1020 . 16 1 1 A 77 77 LEU HA H 77 3.940 4.388 -0.448 1
1 1030 . 16 1 1 A 77 77 LEU C C 77 175.300 176.332 -1.032 1
1 1031 . 16 1 1 A 77 77 LEU CA C 77 56.800 55.856 0.944 1
1 1032 . 16 1 1 A 77 77 LEU CB C 77 41.800 42.658 -0.858 1
1 1036 . 16 1 1 A 77 77 LEU N N 77 128.900 126.771 2.129 1
1 1037 . 16 1 1 A 78 78 ILE H H 78 8.880 8.743 0.137 1
1 1038 . 16 1 1 A 78 78 ILE HA H 78 4.810 4.202 0.608 1
1 1048 . 16 1 1 A 78 78 ILE C C 78 174.600 175.928 -1.328 1
1 1049 . 16 1 1 A 78 78 ILE CA C 78 58.300 62.446 -4.146 1
1 1050 . 16 1 1 A 78 78 ILE CB C 78 38.270 38.651 -0.381 1
1 1054 . 16 1 1 A 78 78 ILE N N 78 126.900 127.532 -0.632 1
1 1055 . 16 1 1 A 79 79 ALA H H 79 7.940 7.428 0.512 1
1 1056 . 16 1 1 A 79 79 ALA HA H 79 5.390 4.847 0.543 1
1 1060 . 16 1 1 A 79 79 ALA C C 79 175.300 175.241 0.059 1
1 1061 . 16 1 1 A 79 79 ALA CA C 79 51.600 51.705 -0.105 1
1 1062 . 16 1 1 A 79 79 ALA CB C 79 24.000 22.554 1.446 1
1 1063 . 16 1 1 A 79 79 ALA N N 79 115.000 118.331 -3.331 1
1 1064 . 16 1 1 A 80 80 ILE H H 80 8.580 8.721 -0.141 1
1 1065 . 16 1 1 A 80 80 ILE HA H 80 4.840 5.214 -0.374 1
1 1075 . 16 1 1 A 80 80 ILE C C 80 175.000 175.737 -0.737 1
1 1076 . 16 1 1 A 80 80 ILE CA C 80 60.300 59.692 0.608 1
1 1077 . 16 1 1 A 80 80 ILE CB C 80 42.800 41.412 1.388 1
1 1081 . 16 1 1 A 80 80 ILE N N 80 117.900 120.327 -2.427 1
1 1082 . 16 1 1 A 81 81 GLY H H 81 8.200 8.147 0.053 1
1 1083 . 16 1 1 A 81 81 GLY HA2 H 81 3.750 3.438 0.312 1
1 1084 . 16 1 1 A 81 81 GLY HA3 H 81 4.070 3.938 0.132 1
1 1085 . 16 1 1 A 81 81 GLY C C 81 169.100 172.223 -3.123 1
1 1086 . 16 1 1 A 81 81 GLY CA C 81 46.600 45.582 1.018 1
1 1087 . 16 1 1 A 81 81 GLY N N 81 116.400 112.948 3.452 1
1 1088 . 16 1 1 A 82 82 PHE H H 82 8.210 7.964 0.246 1
1 1089 . 16 1 1 A 82 82 PHE HA H 82 5.340 5.909 -0.569 1
1 1094 . 16 1 1 A 82 82 PHE C C 82 172.400 173.593 -1.193 1
1 1095 . 16 1 1 A 82 82 PHE CA C 82 56.300 55.185 1.115 1
1 1096 . 16 1 1 A 82 82 PHE CB C 82 40.100 42.566 -2.466 1
1 1099 . 16 1 1 A 82 82 PHE N N 82 114.500 116.093 -1.593 1
1 1100 . 16 1 1 A 83 83 ILE H H 83 8.490 9.456 -0.966 1
1 1101 . 16 1 1 A 83 83 ILE HA H 83 4.740 4.803 -0.063 1
1 1111 . 16 1 1 A 83 83 ILE C C 83 175.200 175.513 -0.313 1
1 1112 . 16 1 1 A 83 83 ILE CA C 83 60.400 60.439 -0.039 1
1 1113 . 16 1 1 A 83 83 ILE CB C 83 39.500 39.326 0.174 1
1 1117 . 16 1 1 A 83 83 ILE N N 83 123.400 121.457 1.943 1
1 1118 . 16 1 1 A 84 84 ASP H H 84 8.550 8.714 -0.164 1
1 1119 . 16 1 1 A 84 84 ASP HA H 84 5.170 4.789 0.381 1
1 1122 . 16 1 1 A 84 84 ASP C C 84 178.600 176.752 1.848 1
1 1123 . 16 1 1 A 84 84 ASP CA C 84 52.200 54.233 -2.033 1
1 1124 . 16 1 1 A 84 84 ASP CB C 84 42.400 41.583 0.817 1
1 1125 . 16 1 1 A 84 84 ASP N N 84 126.900 128.247 -1.347 1
1 1126 . 16 1 1 A 85 85 GLU H H 85 9.250 8.644 0.606 1
1 1127 . 16 1 1 A 85 85 GLU HA H 85 4.350 3.986 0.364 1
1 1132 . 16 1 1 A 85 85 GLU C C 85 176.800 176.539 0.261 1
1 1133 . 16 1 1 A 85 85 GLU CA C 85 58.400 58.789 -0.389 1
1 1134 . 16 1 1 A 85 85 GLU CB C 85 28.700 28.540 0.160 1
1 1136 . 16 1 1 A 85 85 GLU N N 85 118.000 118.064 -0.064 1
1 1137 . 16 1 1 A 86 86 ASN H H 86 8.280 8.890 -0.610 1
1 1138 . 16 1 1 A 86 86 ASN HA H 86 4.760 4.891 -0.131 1
1 1143 . 16 1 1 A 86 86 ASN C C 86 174.600 174.658 -0.058 1
1 1144 . 16 1 1 A 86 86 ASN CA C 86 52.800 53.263 -0.463 1
1 1145 . 16 1 1 A 86 86 ASN CB C 86 38.900 40.138 -1.238 1
1 1147 . 16 1 1 A 86 86 ASN N N 86 118.300 124.359 -6.059 1
1 1149 . 16 1 1 A 87 87 HIS H H 87 8.570 7.654 0.916 1
1 1150 . 16 1 1 A 87 87 HIS HA H 87 3.940 4.664 -0.724 1
1 1154 . 16 1 1 A 87 87 HIS C C 87 173.600 173.665 -0.065 1
1 1155 . 16 1 1 A 87 87 HIS CA C 87 57.000 54.200 2.800 1
1 1156 . 16 1 1 A 87 87 HIS CB C 87 26.700 31.964 -5.264 1
1 1158 . 16 1 1 A 87 87 HIS N N 87 114.000 116.929 -2.929 1
1 1159 . 16 1 1 A 88 88 ASP H H 88 8.210 8.530 -0.320 1
1 1160 . 16 1 1 A 88 88 ASP HA H 88 4.840 4.009 0.831 1
1 1163 . 16 1 1 A 88 88 ASP C C 88 174.800 175.156 -0.356 1
1 1164 . 16 1 1 A 88 88 ASP CA C 88 53.900 54.842 -0.942 1
1 1165 . 16 1 1 A 88 88 ASP CB C 88 41.500 39.326 2.174 1
1 1166 . 16 1 1 A 88 88 ASP N N 88 120.300 120.956 -0.656 1
1 1167 . 16 1 1 A 89 89 MET H H 89 8.550 8.457 0.093 1
1 1168 . 16 1 1 A 89 89 MET HA H 89 4.450 4.619 -0.169 1
1 1176 . 16 1 1 A 89 89 MET C C 89 173.400 174.916 -1.516 1
1 1177 . 16 1 1 A 89 89 MET CA C 89 55.800 54.004 1.796 1
1 1178 . 16 1 1 A 89 89 MET CB C 89 34.700 32.474 2.226 1
1 1181 . 16 1 1 A 89 89 MET N N 89 120.400 121.821 -1.421 1
1 1182 . 16 1 1 A 90 90 ASP H H 90 8.420 8.436 -0.016 1
1 1183 . 16 1 1 A 90 90 ASP HA H 90 4.580 5.072 -0.492 1
1 1186 . 16 1 1 A 90 90 ASP C C 90 174.600 174.128 0.472 1
1 1187 . 16 1 1 A 90 90 ASP CA C 90 52.300 52.072 0.228 1
1 1188 . 16 1 1 A 90 90 ASP CB C 90 41.800 41.954 -0.154 1
1 1189 . 16 1 1 A 90 90 ASP N N 90 126.900 124.616 2.284 1
1 1190 . 16 1 1 A 91 91 PHE H H 91 8.350 9.000 -0.650 1
1 1191 . 16 1 1 A 91 91 PHE HA H 91 4.780 5.010 -0.230 1
1 1199 . 16 1 1 A 91 91 PHE C C 91 175.600 175.432 0.168 1
1 1200 . 16 1 1 A 91 91 PHE CA C 91 58.200 56.791 1.409 1
1 1201 . 16 1 1 A 91 91 PHE CB C 91 41.400 40.836 0.564 1
1 1207 . 16 1 1 A 91 91 PHE N N 91 118.600 124.470 -5.870 1
1 1208 . 16 1 1 A 92 92 LEU H H 92 9.060 8.967 0.093 1
1 1209 . 16 1 1 A 92 92 LEU HA H 92 4.330 4.630 -0.300 1
1 1219 . 16 1 1 A 92 92 LEU C C 92 175.700 176.555 -0.855 1
1 1220 . 16 1 1 A 92 92 LEU CA C 92 55.200 55.405 -0.205 1
1 1221 . 16 1 1 A 92 92 LEU CB C 92 43.500 43.517 -0.017 1
1 1225 . 16 1 1 A 92 92 LEU N N 92 121.100 123.443 -2.343 1
1 1226 . 16 1 1 A 93 93 TYR H H 93 7.970 7.245 0.725 1
1 1227 . 16 1 1 A 93 93 TYR HA H 93 4.780 4.908 -0.128 1
1 1234 . 16 1 1 A 93 93 TYR C C 93 172.800 173.096 -0.296 1
1 1235 . 16 1 1 A 93 93 TYR CA C 93 57.600 58.060 -0.460 1
1 1236 . 16 1 1 A 93 93 TYR CB C 93 42.500 41.398 1.102 1
1 1241 . 16 1 1 A 93 93 TYR N N 93 118.600 118.916 -0.316 1
1 1242 . 16 1 1 A 94 94 LEU H H 94 8.220 8.873 -0.653 1
1 1243 . 16 1 1 A 94 94 LEU HA H 94 5.060 5.035 0.025 1
1 1253 . 16 1 1 A 94 94 LEU C C 94 171.900 174.194 -2.294 1
1 1254 . 16 1 1 A 94 94 LEU CA C 94 55.100 53.139 1.961 1
1 1255 . 16 1 1 A 94 94 LEU CB C 94 44.800 45.058 -0.258 1
1 1259 . 16 1 1 A 94 94 LEU N N 94 128.600 130.396 -1.796 1
1 1260 . 16 1 1 A 95 95 HIS H H 95 9.720 8.853 0.867 1
1 1261 . 16 1 1 A 95 95 HIS HA H 95 4.570 4.996 -0.426 1
1 1266 . 16 1 1 A 95 95 HIS C C 95 173.100 173.814 -0.714 1
1 1267 . 16 1 1 A 95 95 HIS CA C 95 55.500 53.998 1.502 1
1 1268 . 16 1 1 A 95 95 HIS CB C 95 35.900 32.459 3.441 1
1 1271 . 16 1 1 A 95 95 HIS N N 95 133.000 126.096 6.904 1
1 1272 . 16 1 1 A 96 96 ASN H H 96 7.670 8.952 -1.282 1
1 1273 . 16 1 1 A 96 96 ASN HA H 96 4.930 4.856 0.074 1
1 1278 . 16 1 1 A 96 96 ASN C C 96 176.100 176.628 -0.528 1
1 1279 . 16 1 1 A 96 96 ASN CA C 96 51.000 52.728 -1.728 1
1 1280 . 16 1 1 A 96 96 ASN CB C 96 38.500 39.420 -0.920 1
1 1281 . 16 1 1 A 96 96 ASN N N 96 118.600 125.376 -6.776 1
1 1283 . 16 1 1 A 97 97 THR H H 97 10.580 8.756 1.824 1
1 1284 . 16 1 1 A 97 97 THR HA H 97 4.090 3.825 0.265 1
1 1289 . 16 1 1 A 97 97 THR C C 97 174.600 175.824 -1.224 1
1 1290 . 16 1 1 A 97 97 THR CA C 97 67.000 65.390 1.610 1
1 1291 . 16 1 1 A 97 97 THR CB C 97 68.300 68.321 -0.021 1
1 1293 . 16 1 1 A 97 97 THR N N 97 116.300 116.224 0.076 1
1 1294 . 16 1 1 A 98 98 VAL H H 98 8.440 7.706 0.734 1
1 1295 . 16 1 1 A 98 98 VAL HA H 98 4.180 4.008 0.172 1
1 1303 . 16 1 1 A 98 98 VAL C C 98 174.800 176.292 -1.492 1
1 1304 . 16 1 1 A 98 98 VAL CA C 98 64.400 64.067 0.333 1
1 1305 . 16 1 1 A 98 98 VAL CB C 98 33.100 32.552 0.548 1
1 1308 . 16 1 1 A 98 98 VAL N N 98 123.900 119.816 4.084 1
1 1309 . 16 1 1 A 99 99 MET H H 99 8.590 7.714 0.876 1
1 1310 . 16 1 1 A 99 99 MET HA H 99 4.720 4.796 -0.076 1
1 1318 . 16 1 1 A 99 99 MET CA C 99 52.400 53.787 -1.387 1
1 1319 . 16 1 1 A 99 99 MET CB C 99 34.100 35.057 -0.957 1
1 1322 . 16 1 1 A 99 99 MET N N 99 118.700 114.903 3.797 1
1 1323 . 16 1 1 A 100 100 PRO HA H 100 4.210 4.520 -0.310 1
1 1330 . 16 1 1 A 100 100 PRO C C 100 175.900 176.178 -0.278 1
1 1331 . 16 1 1 A 100 100 PRO CA C 100 62.100 63.028 -0.928 1
1 1332 . 16 1 1 A 100 100 PRO CB C 100 31.000 32.090 -1.090 1
1 1335 . 16 1 1 A 101 101 LEU H H 101 9.010 8.598 0.412 1
1 1336 . 16 1 1 A 101 101 LEU HA H 101 4.310 4.313 -0.003 1
1 1346 . 16 1 1 A 101 101 LEU C C 101 176.900 178.378 -1.478 1
1 1347 . 16 1 1 A 101 101 LEU CA C 101 55.000 56.060 -1.060 1
1 1348 . 16 1 1 A 101 101 LEU CB C 101 42.800 42.000 0.800 1
1 1352 . 16 1 1 A 101 101 LEU N N 101 124.000 120.687 3.313 1
1 1353 . 16 1 1 A 102 102 LEU H H 102 7.620 7.884 -0.264 1
1 1354 . 16 1 1 A 102 102 LEU HA H 102 4.360 4.045 0.315 1
1 1364 . 16 1 1 A 102 102 LEU C C 102 174.800 176.464 -1.664 1
1 1365 . 16 1 1 A 102 102 LEU CA C 102 54.900 57.473 -2.573 1
1 1366 . 16 1 1 A 102 102 LEU CB C 102 45.300 41.734 3.566 1
1 1370 . 16 1 1 A 102 102 LEU N N 102 119.000 118.183 0.817 1
1 1371 . 16 1 1 A 103 103 ASP H H 103 9.120 7.950 1.170 1
1 1372 . 16 1 1 A 103 103 ASP HA H 103 5.100 4.269 0.831 1
1 1375 . 16 1 1 A 103 103 ASP C C 103 174.500 175.473 -0.973 1
1 1376 . 16 1 1 A 103 103 ASP CA C 103 54.900 55.218 -0.318 1
1 1377 . 16 1 1 A 103 103 ASP CB C 103 41.000 39.169 1.831 1
1 1378 . 16 1 1 A 103 103 ASP N N 103 120.700 116.466 4.234 1
1 1379 . 16 1 1 A 104 104 GLN H H 104 8.990 8.111 0.879 1
1 1380 . 16 1 1 A 104 104 GLN HA H 104 4.710 4.349 0.361 1
1 1387 . 16 1 1 A 104 104 GLN C C 104 176.100 177.331 -1.231 1
1 1388 . 16 1 1 A 104 104 GLN CA C 104 54.100 56.015 -1.915 1
1 1389 . 16 1 1 A 104 104 GLN CB C 104 28.500 29.203 -0.703 1
1 1392 . 16 1 1 A 104 104 GLN N N 104 125.400 118.280 7.120 1
1 1394 . 16 1 1 A 105 105 ARG H H 105 8.380 8.595 -0.215 1
1 1395 . 16 1 1 A 105 105 ARG HA H 105 3.510 4.037 -0.527 1
1 1402 . 16 1 1 A 105 105 ARG C C 105 177.500 177.942 -0.442 1
1 1403 . 16 1 1 A 105 105 ARG CA C 105 60.200 58.516 1.684 1
1 1404 . 16 1 1 A 105 105 ARG CB C 105 29.400 29.806 -0.406 1
1 1407 . 16 1 1 A 105 105 ARG N N 105 117.700 125.534 -7.834 1
1 1408 . 16 1 1 A 106 106 TYR H H 106 7.800 8.005 -0.205 1
1 1409 . 16 1 1 A 106 106 TYR HA H 106 4.360 4.420 -0.060 1
1 1416 . 16 1 1 A 106 106 TYR C C 106 176.800 178.382 -1.582 1
1 1417 . 16 1 1 A 106 106 TYR CA C 106 58.600 60.681 -2.081 1
1 1418 . 16 1 1 A 106 106 TYR CB C 106 36.000 38.232 -2.232 1
1 1423 . 16 1 1 A 106 106 TYR N N 106 118.100 119.145 -1.045 1
1 1424 . 16 1 1 A 107 107 LEU H H 107 7.170 8.424 -1.254 1
1 1425 . 16 1 1 A 107 107 LEU HA H 107 3.970 4.106 -0.136 1
1 1435 . 16 1 1 A 107 107 LEU C C 107 178.300 179.316 -1.016 1
1 1436 . 16 1 1 A 107 107 LEU CA C 107 56.600 58.090 -1.490 1
1 1437 . 16 1 1 A 107 107 LEU CB C 107 41.800 41.858 -0.058 1
1 1441 . 16 1 1 A 107 107 LEU N N 107 121.900 120.504 1.396 1
1 1442 . 16 1 1 A 108 108 LEU H H 108 7.680 7.650 0.030 1
1 1443 . 16 1 1 A 108 108 LEU HA H 108 4.070 3.636 0.434 1
1 1453 . 16 1 1 A 108 108 LEU C C 108 177.500 178.698 -1.198 1
1 1454 . 16 1 1 A 108 108 LEU CA C 108 55.400 57.980 -2.580 1
1 1455 . 16 1 1 A 108 108 LEU CB C 108 41.500 41.734 -0.234 1
1 1459 . 16 1 1 A 108 108 LEU N N 108 115.400 120.052 -4.652 1
1 1460 . 16 1 1 A 109 109 THR H H 109 7.510 8.208 -0.698 1
1 1461 . 16 1 1 A 109 109 THR HA H 109 4.310 4.569 -0.259 1
1 1466 . 16 1 1 A 109 109 THR C C 109 175.300 175.265 0.035 1
1 1467 . 16 1 1 A 109 109 THR CA C 109 61.600 62.043 -0.443 1
1 1468 . 16 1 1 A 109 109 THR CB C 109 69.500 69.665 -0.165 1
1 1470 . 16 1 1 A 109 109 THR N N 109 108.800 106.961 1.839 1
1 1471 . 16 1 1 A 110 110 GLY H H 110 8.010 8.197 -0.187 1
1 1472 . 16 1 1 A 110 110 GLY HA2 H 110 3.950 4.216 -0.266 1
1 1473 . 16 1 1 A 110 110 GLY HA3 H 110 4.030 4.248 -0.218 1
1 1474 . 16 1 1 A 110 110 GLY C C 110 174.500 175.670 -1.170 1
1 1475 . 16 1 1 A 110 110 GLY CA C 110 45.400 44.892 0.508 1
1 1476 . 16 1 1 A 110 110 GLY N N 110 110.100 111.294 -1.194 1
1 1477 . 16 1 1 A 111 111 GLY H H 111 8.310 8.864 -0.554 1
1 1478 . 16 1 1 A 111 111 GLY HA2 H 111 3.930 3.975 -0.045 1
1 1479 . 16 1 1 A 111 111 GLY HA3 H 111 3.930 4.016 -0.086 1
1 1480 . 16 1 1 A 111 111 GLY C C 111 173.700 174.418 -0.718 1
1 1481 . 16 1 1 A 111 111 GLY CA C 111 45.400 45.584 -0.184 1
1 1482 . 16 1 1 A 111 111 GLY N N 111 108.300 109.477 -1.177 1
1 1483 . 16 1 1 A 112 112 GLN H H 112 8.280 7.700 0.580 1
1 1484 . 16 1 1 A 112 112 GLN HA H 112 4.270 4.386 -0.116 1
1 1491 . 16 1 1 A 112 112 GLN C C 112 175.700 175.844 -0.144 1
1 1492 . 16 1 1 A 112 112 GLN CA C 112 55.600 56.444 -0.844 1
1 1493 . 16 1 1 A 112 112 GLN CB C 112 29.200 29.483 -0.283 1
1 1496 . 16 1 1 A 112 112 GLN N N 112 119.200 120.098 -0.898 1
1 1498 . 16 1 1 A 113 113 LEU H H 113 8.260 8.226 0.034 1
1 1499 . 16 1 1 A 113 113 LEU HA H 113 4.180 4.438 -0.258 1
1 1509 . 16 1 1 A 113 113 LEU C C 113 177.000 176.224 0.776 1
1 1510 . 16 1 1 A 113 113 LEU CA C 113 55.100 55.471 -0.371 1
1 1511 . 16 1 1 A 113 113 LEU CB C 113 42.100 43.065 -0.965 1
1 1515 . 16 1 1 A 113 113 LEU N N 113 122.800 124.350 -1.550 1
1 1516 . 16 1 1 A 114 114 GLU H H 114 8.290 8.595 -0.305 1
1 1517 . 16 1 1 A 114 114 GLU HA H 114 4.140 4.274 -0.134 1
1 1522 . 16 1 1 A 114 114 GLU CA C 114 56.300 56.837 -0.537 1
1 1523 . 16 1 1 A 114 114 GLU CB C 114 30.200 29.879 0.321 1
1 1 . 17 1 1 A 2 2 THR HA H 2 4.300 4.410 -0.110 1
1 6 . 17 1 1 A 2 2 THR C C 2 174.800 175.507 -0.707 1
1 7 . 17 1 1 A 2 2 THR CA C 2 61.100 62.875 -1.775 1
1 8 . 17 1 1 A 2 2 THR CB C 2 70.400 69.536 0.864 1
1 10 . 17 1 1 A 3 3 LEU H H 3 8.760 7.816 0.944 1
1 11 . 17 1 1 A 3 3 LEU HA H 3 4.110 3.915 0.195 1
1 21 . 17 1 1 A 3 3 LEU C C 3 178.300 179.196 -0.896 1
1 22 . 17 1 1 A 3 3 LEU CA C 3 57.800 57.811 -0.011 1
1 23 . 17 1 1 A 3 3 LEU CB C 3 41.600 41.200 0.400 1
1 27 . 17 1 1 A 3 3 LEU N N 3 123.600 122.214 1.386 1
1 28 . 17 1 1 A 4 4 GLU H H 4 8.740 8.196 0.544 1
1 29 . 17 1 1 A 4 4 GLU HA H 4 3.670 4.008 -0.338 1
1 34 . 17 1 1 A 4 4 GLU C C 4 177.900 179.304 -1.404 1
1 35 . 17 1 1 A 4 4 GLU CA C 4 60.000 59.320 0.680 1
1 36 . 17 1 1 A 4 4 GLU CB C 4 29.200 29.181 0.019 1
1 38 . 17 1 1 A 4 4 GLU N N 4 116.500 118.662 -2.162 1
1 39 . 17 1 1 A 5 5 LEU H H 5 7.340 8.058 -0.718 1
1 40 . 17 1 1 A 5 5 LEU HA H 5 3.900 3.953 -0.053 1
1 50 . 17 1 1 A 5 5 LEU C C 5 178.900 178.346 0.554 1
1 51 . 17 1 1 A 5 5 LEU CA C 5 56.900 57.639 -0.739 1
1 52 . 17 1 1 A 5 5 LEU CB C 5 41.200 41.657 -0.457 1
1 56 . 17 1 1 A 5 5 LEU N N 5 120.500 121.015 -0.515 1
1 57 . 17 1 1 A 6 6 GLN H H 6 8.350 8.334 0.016 1
1 58 . 17 1 1 A 6 6 GLN HA H 6 3.970 4.028 -0.058 1
1 63 . 17 1 1 A 6 6 GLN C C 6 179.700 177.934 1.766 1
1 64 . 17 1 1 A 6 6 GLN CA C 6 59.100 58.472 0.628 1
1 65 . 17 1 1 A 6 6 GLN CB C 6 29.100 28.183 0.917 1
1 67 . 17 1 1 A 6 6 GLN N N 6 120.800 117.960 2.840 1
1 68 . 17 1 1 A 7 7 LEU H H 7 8.620 8.450 0.170 1
1 69 . 17 1 1 A 7 7 LEU HA H 7 4.010 4.108 -0.098 1
1 79 . 17 1 1 A 7 7 LEU C C 7 176.900 178.531 -1.631 1
1 80 . 17 1 1 A 7 7 LEU CA C 7 57.800 58.038 -0.238 1
1 81 . 17 1 1 A 7 7 LEU CB C 7 41.700 41.737 -0.037 1
1 85 . 17 1 1 A 7 7 LEU N N 7 121.000 121.275 -0.275 1
1 86 . 17 1 1 A 8 8 LYS H H 8 7.750 7.455 0.295 1
1 87 . 17 1 1 A 8 8 LYS HA H 8 3.570 3.681 -0.111 1
1 96 . 17 1 1 A 8 8 LYS C C 8 179.400 178.781 0.619 1
1 97 . 17 1 1 A 8 8 LYS CA C 8 59.000 58.565 0.435 1
1 98 . 17 1 1 A 8 8 LYS CB C 8 32.400 31.699 0.701 1
1 102 . 17 1 1 A 8 8 LYS N N 8 119.700 118.246 1.454 1
1 103 . 17 1 1 A 9 9 HIS H H 9 8.520 8.096 0.424 1
1 104 . 17 1 1 A 9 9 HIS HA H 9 4.050 4.518 -0.468 1
1 107 . 17 1 1 A 9 9 HIS C C 9 176.500 176.686 -0.186 1
1 108 . 17 1 1 A 9 9 HIS CA C 9 59.400 59.111 0.289 1
1 109 . 17 1 1 A 9 9 HIS CB C 9 29.900 30.226 -0.326 1
1 110 . 17 1 1 A 9 9 HIS N N 9 120.500 119.962 0.538 1
1 111 . 17 1 1 A 10 10 TYR H H 10 7.990 8.735 -0.745 1
1 112 . 17 1 1 A 10 10 TYR HA H 10 4.160 3.993 0.167 1
1 119 . 17 1 1 A 10 10 TYR C C 10 177.400 177.059 0.341 1
1 120 . 17 1 1 A 10 10 TYR CA C 10 61.800 61.374 0.426 1
1 121 . 17 1 1 A 10 10 TYR CB C 10 39.500 38.724 0.776 1
1 126 . 17 1 1 A 10 10 TYR N N 10 119.200 120.230 -1.030 1
1 127 . 17 1 1 A 11 11 ILE H H 11 8.710 8.319 0.391 1
1 128 . 17 1 1 A 11 11 ILE HA H 11 3.540 3.491 0.049 1
1 138 . 17 1 1 A 11 11 ILE CA C 11 61.600 64.311 -2.711 1
1 139 . 17 1 1 A 11 11 ILE CB C 11 36.200 37.712 -1.512 1
1 143 . 17 1 1 A 11 11 ILE N N 11 118.900 120.617 -1.717 1
1 144 . 17 1 1 A 12 12 THR HA H 12 3.840 4.042 -0.202 1
1 149 . 17 1 1 A 12 12 THR C C 12 176.900 177.477 -0.577 1
1 150 . 17 1 1 A 12 12 THR CA C 12 66.400 66.040 0.360 1
1 151 . 17 1 1 A 12 12 THR CB C 12 68.300 68.345 -0.045 1
1 153 . 17 1 1 A 13 13 ASN H H 13 7.440 8.289 -0.849 1
1 154 . 17 1 1 A 13 13 ASN HA H 13 4.420 4.365 0.055 1
1 159 . 17 1 1 A 13 13 ASN C C 13 176.700 177.910 -1.210 1
1 160 . 17 1 1 A 13 13 ASN CA C 13 55.900 56.021 -0.121 1
1 161 . 17 1 1 A 13 13 ASN CB C 13 38.600 37.759 0.841 1
1 163 . 17 1 1 A 13 13 ASN N N 13 118.300 121.305 -3.005 1
1 165 . 17 1 1 A 14 14 LEU H H 14 7.890 7.678 0.212 1
1 166 . 17 1 1 A 14 14 LEU HA H 14 3.660 3.761 -0.101 1
1 176 . 17 1 1 A 14 14 LEU C C 14 177.900 177.822 0.078 1
1 177 . 17 1 1 A 14 14 LEU CA C 14 57.600 57.596 0.004 1
1 178 . 17 1 1 A 14 14 LEU CB C 14 42.600 41.184 1.416 1
1 182 . 17 1 1 A 14 14 LEU N N 14 122.100 121.529 0.571 1
1 183 . 17 1 1 A 15 15 PHE H H 15 7.670 7.719 -0.049 1
1 184 . 17 1 1 A 15 15 PHE HA H 15 4.490 4.501 -0.011 1
1 191 . 17 1 1 A 15 15 PHE C C 15 173.800 174.570 -0.770 1
1 192 . 17 1 1 A 15 15 PHE CA C 15 57.900 57.088 0.812 1
1 193 . 17 1 1 A 15 15 PHE CB C 15 38.900 39.710 -0.810 1
1 198 . 17 1 1 A 15 15 PHE N N 15 111.800 114.060 -2.260 1
1 199 . 17 1 1 A 16 16 ASN H H 16 7.450 8.024 -0.574 1
1 200 . 17 1 1 A 16 16 ASN HA H 16 4.420 4.197 0.223 1
1 205 . 17 1 1 A 16 16 ASN C C 16 174.200 174.273 -0.073 1
1 206 . 17 1 1 A 16 16 ASN CA C 16 54.100 54.376 -0.276 1
1 207 . 17 1 1 A 16 16 ASN CB C 16 36.500 36.729 -0.229 1
1 209 . 17 1 1 A 16 16 ASN N N 16 118.500 114.358 4.142 1
1 211 . 17 1 1 A 17 17 LEU H H 17 8.410 8.137 0.273 1
1 212 . 17 1 1 A 17 17 LEU HA H 17 4.630 4.519 0.111 1
1 222 . 17 1 1 A 17 17 LEU CA C 17 52.300 52.757 -0.457 1
1 223 . 17 1 1 A 17 17 LEU CB C 17 41.000 41.307 -0.307 1
1 227 . 17 1 1 A 17 17 LEU N N 17 118.700 119.868 -1.168 1
1 228 . 17 1 1 A 18 18 PRO HA H 18 4.380 4.584 -0.204 1
1 235 . 17 1 1 A 18 18 PRO C C 18 178.600 177.116 1.484 1
1 236 . 17 1 1 A 18 18 PRO CA C 18 63.100 63.042 0.058 1
1 237 . 17 1 1 A 18 18 PRO CB C 18 31.800 32.426 -0.626 1
1 240 . 17 1 1 A 19 19 ARG H H 19 8.650 8.702 -0.052 1
1 241 . 17 1 1 A 19 19 ARG HA H 19 3.820 4.388 -0.568 1
1 248 . 17 1 1 A 19 19 ARG C C 19 176.500 176.759 -0.259 1
1 249 . 17 1 1 A 19 19 ARG CA C 19 58.100 57.365 0.735 1
1 250 . 17 1 1 A 19 19 ARG CB C 19 30.300 30.242 0.058 1
1 253 . 17 1 1 A 19 19 ARG N N 19 124.600 122.276 2.324 1
1 254 . 17 1 1 A 20 20 ASP H H 20 8.390 8.097 0.293 1
1 255 . 17 1 1 A 20 20 ASP HA H 20 4.550 4.681 -0.131 1
1 258 . 17 1 1 A 20 20 ASP C C 20 175.700 176.500 -0.800 1
1 259 . 17 1 1 A 20 20 ASP CA C 20 53.000 53.595 -0.595 1
1 260 . 17 1 1 A 20 20 ASP CB C 20 40.400 39.946 0.454 1
1 261 . 17 1 1 A 20 20 ASP N N 20 114.300 117.112 -2.812 1
1 262 . 17 1 1 A 21 21 GLU H H 21 6.780 7.987 -1.207 1
1 263 . 17 1 1 A 21 21 GLU HA H 21 4.150 4.434 -0.284 1
1 268 . 17 1 1 A 21 21 GLU C C 21 175.400 176.209 -0.809 1
1 269 . 17 1 1 A 21 21 GLU CA C 21 56.200 57.451 -1.251 1
1 270 . 17 1 1 A 21 21 GLU CB C 21 31.600 30.194 1.406 1
1 272 . 17 1 1 A 21 21 GLU N N 21 121.600 120.351 1.249 1
1 273 . 17 1 1 A 22 22 LYS H H 22 8.860 8.734 0.126 1
1 274 . 17 1 1 A 22 22 LYS HA H 22 4.160 4.792 -0.632 1
1 283 . 17 1 1 A 22 22 LYS C C 22 176.100 175.846 0.254 1
1 284 . 17 1 1 A 22 22 LYS CA C 22 57.200 55.886 1.314 1
1 285 . 17 1 1 A 22 22 LYS CB C 22 33.000 33.646 -0.646 1
1 289 . 17 1 1 A 22 22 LYS N N 22 128.900 123.338 5.562 1
1 290 . 17 1 1 A 23 23 TRP H H 23 8.750 9.181 -0.431 1
1 291 . 17 1 1 A 23 23 TRP HA H 23 5.400 5.333 0.067 1
1 300 . 17 1 1 A 23 23 TRP C C 23 176.500 175.782 0.718 1
1 301 . 17 1 1 A 23 23 TRP CA C 23 54.600 56.299 -1.699 1
1 302 . 17 1 1 A 23 23 TRP CB C 23 31.100 32.027 -0.927 1
1 308 . 17 1 1 A 23 23 TRP N N 23 126.100 127.854 -1.754 1
1 310 . 17 1 1 A 24 24 GLU H H 24 9.040 8.661 0.379 1
1 311 . 17 1 1 A 24 24 GLU HA H 24 4.590 4.999 -0.409 1
1 316 . 17 1 1 A 24 24 GLU C C 24 174.100 175.530 -1.430 1
1 317 . 17 1 1 A 24 24 GLU CA C 24 54.200 55.474 -1.274 1
1 318 . 17 1 1 A 24 24 GLU CB C 24 31.600 31.887 -0.287 1
1 320 . 17 1 1 A 24 24 GLU N N 24 122.700 122.606 0.094 1
1 321 . 17 1 1 A 25 25 CYS H H 25 8.740 9.119 -0.379 1
1 322 . 17 1 1 A 25 25 CYS HA H 25 4.870 4.593 0.277 1
1 325 . 17 1 1 A 25 25 CYS C C 25 174.400 173.969 0.431 1
1 326 . 17 1 1 A 25 25 CYS CA C 25 57.200 58.894 -1.694 1
1 327 . 17 1 1 A 25 25 CYS CB C 25 30.200 28.473 1.727 1
1 328 . 17 1 1 A 25 25 CYS N N 25 119.900 125.412 -5.512 1
1 329 . 17 1 1 A 26 26 GLU H H 26 9.220 8.432 0.788 1
1 330 . 17 1 1 A 26 26 GLU HA H 26 4.740 4.961 -0.221 1
1 335 . 17 1 1 A 26 26 GLU C C 26 175.000 175.027 -0.027 1
1 336 . 17 1 1 A 26 26 GLU CA C 26 55.100 54.963 0.137 1
1 337 . 17 1 1 A 26 26 GLU CB C 26 31.700 32.153 -0.453 1
1 339 . 17 1 1 A 26 26 GLU N N 26 131.200 128.368 2.832 1
1 340 . 17 1 1 A 27 27 SER H H 27 8.900 8.751 0.149 1
1 341 . 17 1 1 A 27 27 SER HA H 27 5.750 4.929 0.821 1
1 344 . 17 1 1 A 27 27 SER C C 27 173.600 174.305 -0.705 1
1 345 . 17 1 1 A 27 27 SER CA C 27 56.700 58.771 -2.071 1
1 346 . 17 1 1 A 27 27 SER CB C 27 64.200 63.820 0.380 1
1 347 . 17 1 1 A 27 27 SER N N 27 125.100 122.915 2.185 1
1 348 . 17 1 1 A 28 28 ILE H H 28 8.540 8.874 -0.334 1
1 349 . 17 1 1 A 28 28 ILE HA H 28 4.680 4.917 -0.237 1
1 359 . 17 1 1 A 28 28 ILE C C 28 174.100 173.461 0.639 1
1 360 . 17 1 1 A 28 28 ILE CA C 28 59.800 59.072 0.728 1
1 361 . 17 1 1 A 28 28 ILE CB C 28 42.700 42.315 0.385 1
1 365 . 17 1 1 A 28 28 ILE N N 28 123.200 120.518 2.682 1
1 366 . 17 1 1 A 29 29 GLU H H 29 8.430 9.075 -0.645 1
1 367 . 17 1 1 A 29 29 GLU HA H 29 5.430 5.120 0.310 1
1 372 . 17 1 1 A 29 29 GLU C C 29 176.000 175.422 0.578 1
1 373 . 17 1 1 A 29 29 GLU CA C 29 55.600 54.685 0.915 1
1 374 . 17 1 1 A 29 29 GLU CB C 29 31.200 32.172 -0.972 1
1 376 . 17 1 1 A 29 29 GLU N N 29 123.900 123.698 0.202 1
1 377 . 17 1 1 A 30 30 GLU H H 30 8.850 8.337 0.513 1
1 378 . 17 1 1 A 30 30 GLU HA H 30 4.730 4.955 -0.225 1
1 383 . 17 1 1 A 30 30 GLU C C 30 174.300 176.132 -1.832 1
1 384 . 17 1 1 A 30 30 GLU CA C 30 54.700 54.275 0.425 1
1 385 . 17 1 1 A 30 30 GLU CB C 30 34.400 34.001 0.399 1
1 387 . 17 1 1 A 30 30 GLU N N 30 121.900 125.839 -3.939 1
1 388 . 17 1 1 A 31 31 VAL H H 31 9.260 8.869 0.391 1
1 389 . 17 1 1 A 31 31 VAL HA H 31 4.250 4.038 0.212 1
1 397 . 17 1 1 A 31 31 VAL C C 31 177.700 177.035 0.665 1
1 398 . 17 1 1 A 31 31 VAL CA C 31 62.500 63.452 -0.952 1
1 399 . 17 1 1 A 31 31 VAL CB C 31 31.800 31.735 0.065 1
1 402 . 17 1 1 A 31 31 VAL N N 31 124.500 121.486 3.014 1
1 403 . 17 1 1 A 32 32 ALA H H 32 9.250 8.873 0.377 1
1 404 . 17 1 1 A 32 32 ALA HA H 32 3.710 4.017 -0.307 1
1 408 . 17 1 1 A 32 32 ALA C C 32 178.600 179.018 -0.418 1
1 409 . 17 1 1 A 32 32 ALA CA C 32 55.800 55.453 0.347 1
1 410 . 17 1 1 A 32 32 ALA CB C 32 19.400 18.200 1.200 1
1 411 . 17 1 1 A 32 32 ALA N N 32 129.900 128.348 1.552 1
1 412 . 17 1 1 A 33 33 ASP H H 33 9.510 8.204 1.306 1
1 413 . 17 1 1 A 33 33 ASP HA H 33 4.180 4.425 -0.245 1
1 416 . 17 1 1 A 33 33 ASP C C 33 176.300 176.671 -0.371 1
1 417 . 17 1 1 A 33 33 ASP CA C 33 54.600 56.158 -1.558 1
1 418 . 17 1 1 A 33 33 ASP CB C 33 39.200 40.634 -1.434 1
1 419 . 17 1 1 A 33 33 ASP N N 33 110.700 117.997 -7.297 1
1 420 . 17 1 1 A 34 34 ASP H H 34 7.830 7.855 -0.025 1
1 421 . 17 1 1 A 34 34 ASP HA H 34 4.650 4.668 -0.018 1
1 424 . 17 1 1 A 34 34 ASP C C 34 176.300 177.101 -0.801 1
1 425 . 17 1 1 A 34 34 ASP CA C 34 55.100 54.932 0.168 1
1 426 . 17 1 1 A 34 34 ASP CB C 34 41.000 41.415 -0.415 1
1 427 . 17 1 1 A 34 34 ASP N N 34 114.700 116.989 -2.289 1
1 428 . 17 1 1 A 35 35 ILE H H 35 7.290 7.565 -0.275 1
1 429 . 17 1 1 A 35 35 ILE HA H 35 4.490 4.376 0.114 1
1 439 . 17 1 1 A 35 35 ILE C C 35 174.100 175.395 -1.295 1
1 440 . 17 1 1 A 35 35 ILE CA C 35 60.700 61.007 -0.307 1
1 441 . 17 1 1 A 35 35 ILE CB C 35 40.600 40.193 0.407 1
1 445 . 17 1 1 A 35 35 ILE N N 35 113.400 112.202 1.198 1
1 446 . 17 1 1 A 36 36 LEU H H 36 7.730 8.305 -0.575 1
1 447 . 17 1 1 A 36 36 LEU HA H 36 4.800 4.620 0.180 1
1 457 . 17 1 1 A 36 36 LEU CA C 36 52.200 52.594 -0.394 1
1 458 . 17 1 1 A 36 36 LEU CB C 36 42.700 42.095 0.605 1
1 462 . 17 1 1 A 36 36 LEU N N 36 120.400 124.643 -4.243 1
1 463 . 17 1 1 A 37 37 PRO HA H 37 4.440 4.620 -0.180 1
1 470 . 17 1 1 A 37 37 PRO C C 37 177.100 177.100 0.000 1
1 471 . 17 1 1 A 37 37 PRO CA C 37 63.100 63.063 0.037 1
1 472 . 17 1 1 A 37 37 PRO CB C 37 32.700 32.816 -0.116 1
1 475 . 17 1 1 A 38 38 ASP H H 38 8.690 8.809 -0.119 1
1 476 . 17 1 1 A 38 38 ASP HA H 38 4.230 4.319 -0.089 1
1 479 . 17 1 1 A 38 38 ASP C C 38 177.800 178.802 -1.002 1
1 480 . 17 1 1 A 38 38 ASP CA C 38 57.900 56.941 0.959 1
1 481 . 17 1 1 A 38 38 ASP CB C 38 42.200 40.058 2.142 1
1 482 . 17 1 1 A 38 38 ASP N N 38 123.800 123.994 -0.194 1
1 483 . 17 1 1 A 39 39 GLN H H 39 9.080 8.156 0.924 1
1 484 . 17 1 1 A 39 39 GLN HA H 39 3.990 4.126 -0.136 1
1 491 . 17 1 1 A 39 39 GLN C C 39 176.400 177.569 -1.169 1
1 492 . 17 1 1 A 39 39 GLN CA C 39 58.000 58.651 -0.651 1
1 493 . 17 1 1 A 39 39 GLN CB C 39 27.300 28.239 -0.939 1
1 496 . 17 1 1 A 39 39 GLN N N 39 115.100 120.540 -5.440 1
1 498 . 17 1 1 A 40 40 TYR H H 40 7.510 7.986 -0.476 1
1 499 . 17 1 1 A 40 40 TYR HA H 40 4.730 4.303 0.427 1
1 506 . 17 1 1 A 40 40 TYR C C 40 174.200 175.512 -1.312 1
1 507 . 17 1 1 A 40 40 TYR CA C 40 57.000 59.506 -2.506 1
1 508 . 17 1 1 A 40 40 TYR CB C 40 39.400 39.031 0.369 1
1 513 . 17 1 1 A 40 40 TYR N N 40 116.800 121.548 -4.748 1
1 514 . 17 1 1 A 41 41 VAL H H 41 7.370 7.651 -0.281 1
1 515 . 17 1 1 A 41 41 VAL HA H 41 4.000 4.220 -0.220 1
1 523 . 17 1 1 A 41 41 VAL C C 41 175.400 174.982 0.418 1
1 524 . 17 1 1 A 41 41 VAL CA C 41 62.800 61.527 1.273 1
1 525 . 17 1 1 A 41 41 VAL CB C 41 34.300 33.035 1.265 1
1 528 . 17 1 1 A 41 41 VAL N N 41 116.100 119.123 -3.023 1
1 529 . 17 1 1 A 42 42 ARG H H 42 7.990 8.446 -0.456 1
1 530 . 17 1 1 A 42 42 ARG HA H 42 3.970 4.587 -0.617 1
1 537 . 17 1 1 A 42 42 ARG C C 42 176.600 176.530 0.070 1
1 538 . 17 1 1 A 42 42 ARG CA C 42 58.500 56.220 2.280 1
1 539 . 17 1 1 A 42 42 ARG CB C 42 29.700 32.040 -2.340 1
1 542 . 17 1 1 A 42 42 ARG N N 42 120.900 126.872 -5.972 1
1 543 . 17 1 1 A 43 43 LEU H H 43 8.930 8.130 0.800 1
1 544 . 17 1 1 A 43 43 LEU HA H 43 4.060 4.403 -0.343 1
1 554 . 17 1 1 A 43 43 LEU C C 43 176.200 176.818 -0.618 1
1 555 . 17 1 1 A 43 43 LEU CA C 43 56.100 54.463 1.637 1
1 556 . 17 1 1 A 43 43 LEU CB C 43 40.100 41.588 -1.488 1
1 560 . 17 1 1 A 43 43 LEU N N 43 119.500 120.072 -0.572 1
1 561 . 17 1 1 A 44 44 GLY H H 44 7.890 8.054 -0.164 1
1 562 . 17 1 1 A 44 44 GLY HA2 H 44 3.930 3.989 -0.059 1
1 563 . 17 1 1 A 44 44 GLY HA3 H 44 4.540 4.043 0.497 1
1 564 . 17 1 1 A 44 44 GLY CA C 44 44.900 44.627 0.273 1
1 565 . 17 1 1 A 44 44 GLY N N 44 107.000 108.141 -1.141 1
1 566 . 17 1 1 A 45 45 PRO HA H 45 4.360 4.426 -0.066 1
1 573 . 17 1 1 A 45 45 PRO C C 45 176.900 177.563 -0.663 1
1 574 . 17 1 1 A 45 45 PRO CA C 45 64.400 64.141 0.259 1
1 575 . 17 1 1 A 45 45 PRO CB C 45 31.900 31.732 0.168 1
1 578 . 17 1 1 A 46 46 LEU H H 46 8.660 7.926 0.734 1
1 579 . 17 1 1 A 46 46 LEU HA H 46 3.970 4.166 -0.196 1
1 589 . 17 1 1 A 46 46 LEU C C 46 176.300 176.889 -0.589 1
1 590 . 17 1 1 A 46 46 LEU CA C 46 55.900 55.366 0.534 1
1 591 . 17 1 1 A 46 46 LEU CB C 46 43.500 41.691 1.809 1
1 595 . 17 1 1 A 46 46 LEU N N 46 117.000 117.268 -0.268 1
1 596 . 17 1 1 A 47 47 SER H H 47 7.160 7.309 -0.149 1
1 597 . 17 1 1 A 47 47 SER HA H 47 4.080 4.408 -0.328 1
1 600 . 17 1 1 A 47 47 SER C C 47 176.600 174.793 1.807 1
1 601 . 17 1 1 A 47 47 SER CA C 47 59.100 59.139 -0.039 1
1 602 . 17 1 1 A 47 47 SER CB C 47 62.800 63.000 -0.200 1
1 603 . 17 1 1 A 47 47 SER N N 47 110.300 115.988 -5.688 1
1 604 . 17 1 1 A 48 48 ASN H H 48 11.000 8.863 2.137 1
1 605 . 17 1 1 A 48 48 ASN HA H 48 4.090 4.269 -0.179 1
1 610 . 17 1 1 A 48 48 ASN C C 48 174.700 173.492 1.208 1
1 611 . 17 1 1 A 48 48 ASN CA C 48 55.200 54.233 0.967 1
1 612 . 17 1 1 A 48 48 ASN CB C 48 38.300 37.303 0.997 1
1 614 . 17 1 1 A 48 48 ASN N N 48 123.200 118.790 4.410 1
1 616 . 17 1 1 A 49 49 LYS H H 49 7.830 7.660 0.170 1
1 617 . 17 1 1 A 49 49 LYS HA H 49 4.360 4.756 -0.396 1
1 626 . 17 1 1 A 49 49 LYS C C 49 175.100 175.245 -0.145 1
1 627 . 17 1 1 A 49 49 LYS CA C 49 56.100 54.867 1.233 1
1 628 . 17 1 1 A 49 49 LYS CB C 49 33.200 34.665 -1.465 1
1 632 . 17 1 1 A 49 49 LYS N N 49 119.400 118.084 1.316 1
1 633 . 17 1 1 A 50 50 ILE H H 50 8.570 8.622 -0.052 1
1 634 . 17 1 1 A 50 50 ILE HA H 50 4.160 4.368 -0.208 1
1 644 . 17 1 1 A 50 50 ILE C C 50 175.000 175.378 -0.378 1
1 645 . 17 1 1 A 50 50 ILE CA C 50 61.200 61.084 0.116 1
1 646 . 17 1 1 A 50 50 ILE CB C 50 36.900 37.410 -0.510 1
1 650 . 17 1 1 A 50 50 ILE N N 50 123.000 127.397 -4.397 1
1 651 . 17 1 1 A 51 51 LEU H H 51 9.270 8.516 0.754 1
1 652 . 17 1 1 A 51 51 LEU HA H 51 5.170 5.213 -0.043 1
1 662 . 17 1 1 A 51 51 LEU C C 51 176.300 175.788 0.512 1
1 663 . 17 1 1 A 51 51 LEU CA C 51 52.500 53.718 -1.218 1
1 664 . 17 1 1 A 51 51 LEU CB C 51 42.600 45.066 -2.466 1
1 668 . 17 1 1 A 51 51 LEU N N 51 127.000 128.675 -1.675 1
1 669 . 17 1 1 A 52 52 GLN H H 52 9.110 8.337 0.773 1
1 670 . 17 1 1 A 52 52 GLN HA H 52 4.590 4.756 -0.166 1
1 677 . 17 1 1 A 52 52 GLN C C 52 175.000 174.996 0.004 1
1 678 . 17 1 1 A 52 52 GLN CA C 52 56.800 55.927 0.873 1
1 679 . 17 1 1 A 52 52 GLN CB C 52 29.200 29.555 -0.355 1
1 682 . 17 1 1 A 52 52 GLN N N 52 122.700 122.688 0.012 1
1 684 . 17 1 1 A 53 53 THR H H 53 9.110 9.011 0.099 1
1 685 . 17 1 1 A 53 53 THR HA H 53 4.730 5.023 -0.293 1
1 690 . 17 1 1 A 53 53 THR C C 53 172.500 172.976 -0.476 1
1 691 . 17 1 1 A 53 53 THR CA C 53 60.500 62.318 -1.818 1
1 692 . 17 1 1 A 53 53 THR CB C 53 69.800 69.774 0.026 1
1 694 . 17 1 1 A 53 53 THR N N 53 121.500 121.705 -0.205 1
1 695 . 17 1 1 A 54 54 ASN H H 54 8.210 9.329 -1.119 1
1 696 . 17 1 1 A 54 54 ASN HA H 54 5.400 5.241 0.159 1
1 701 . 17 1 1 A 54 54 ASN C C 54 172.900 173.817 -0.917 1
1 702 . 17 1 1 A 54 54 ASN CA C 54 52.400 51.684 0.716 1
1 703 . 17 1 1 A 54 54 ASN CB C 54 40.900 39.618 1.282 1
1 705 . 17 1 1 A 54 54 ASN N N 54 125.400 126.487 -1.087 1
1 707 . 17 1 1 A 55 55 THR H H 55 8.510 8.741 -0.231 1
1 708 . 17 1 1 A 55 55 THR HA H 55 5.120 4.810 0.310 1
1 713 . 17 1 1 A 55 55 THR C C 55 172.800 173.529 -0.729 1
1 714 . 17 1 1 A 55 55 THR CA C 55 61.400 62.370 -0.970 1
1 715 . 17 1 1 A 55 55 THR CB C 55 69.700 69.942 -0.242 1
1 717 . 17 1 1 A 55 55 THR N N 55 119.300 120.561 -1.261 1
1 718 . 17 1 1 A 56 56 TYR H H 56 8.460 9.061 -0.601 1
1 719 . 17 1 1 A 56 56 TYR HA H 56 5.260 5.670 -0.410 1
1 726 . 17 1 1 A 56 56 TYR C C 56 173.400 174.158 -0.758 1
1 727 . 17 1 1 A 56 56 TYR CA C 56 57.500 56.104 1.396 1
1 728 . 17 1 1 A 56 56 TYR CB C 56 41.400 40.642 0.758 1
1 733 . 17 1 1 A 56 56 TYR N N 56 125.400 126.080 -0.680 1
1 734 . 17 1 1 A 57 57 TYR H H 57 8.450 9.013 -0.563 1
1 735 . 17 1 1 A 57 57 TYR HA H 57 4.530 5.373 -0.843 1
1 742 . 17 1 1 A 57 57 TYR C C 57 172.400 175.026 -2.626 1
1 743 . 17 1 1 A 57 57 TYR CA C 57 56.600 56.200 0.400 1
1 744 . 17 1 1 A 57 57 TYR CB C 57 41.700 40.752 0.948 1
1 749 . 17 1 1 A 57 57 TYR N N 57 113.900 122.939 -9.039 1
1 750 . 17 1 1 A 58 58 SER H H 58 7.100 8.808 -1.708 1
1 751 . 17 1 1 A 58 58 SER HA H 58 4.750 4.902 -0.152 1
1 754 . 17 1 1 A 58 58 SER C C 58 173.800 174.384 -0.584 1
1 755 . 17 1 1 A 58 58 SER CA C 58 56.600 57.377 -0.777 1
1 756 . 17 1 1 A 58 58 SER CB C 58 65.600 66.697 -1.097 1
1 757 . 17 1 1 A 58 58 SER N N 58 114.200 119.501 -5.301 1
1 758 . 17 1 1 A 59 59 ASP H H 59 9.140 9.108 0.032 1
1 759 . 17 1 1 A 59 59 ASP HA H 59 4.550 4.382 0.168 1
1 762 . 17 1 1 A 59 59 ASP C C 59 179.000 178.256 0.744 1
1 763 . 17 1 1 A 59 59 ASP CA C 59 58.500 57.204 1.296 1
1 764 . 17 1 1 A 59 59 ASP CB C 59 40.400 39.431 0.969 1
1 765 . 17 1 1 A 59 59 ASP N N 59 121.800 123.990 -2.190 1
1 766 . 17 1 1 A 60 60 THR H H 60 9.060 8.004 1.056 1
1 767 . 17 1 1 A 60 60 THR HA H 60 4.000 3.967 0.033 1
1 772 . 17 1 1 A 60 60 THR C C 60 178.000 176.481 1.519 1
1 773 . 17 1 1 A 60 60 THR CA C 60 67.300 67.333 -0.033 1
1 774 . 17 1 1 A 60 60 THR CB C 60 67.300 68.025 -0.725 1
1 776 . 17 1 1 A 60 60 THR N N 60 114.800 117.074 -2.274 1
1 777 . 17 1 1 A 61 61 LEU H H 61 7.950 8.034 -0.084 1
1 778 . 17 1 1 A 61 61 LEU HA H 61 3.610 3.717 -0.107 1
1 788 . 17 1 1 A 61 61 LEU C C 61 178.900 178.873 0.027 1
1 789 . 17 1 1 A 61 61 LEU CA C 61 58.600 57.603 0.997 1
1 790 . 17 1 1 A 61 61 LEU CB C 61 39.500 41.592 -2.092 1
1 794 . 17 1 1 A 61 61 LEU N N 61 126.100 120.843 5.257 1
1 795 . 17 1 1 A 62 62 HIS H H 62 8.260 8.514 -0.254 1
1 796 . 17 1 1 A 62 62 HIS HA H 62 4.470 3.974 0.496 1
1 800 . 17 1 1 A 62 62 HIS C C 62 178.900 177.202 1.698 1
1 801 . 17 1 1 A 62 62 HIS CA C 62 58.600 60.214 -1.614 1
1 802 . 17 1 1 A 62 62 HIS CB C 62 29.500 29.518 -0.018 1
1 804 . 17 1 1 A 62 62 HIS N N 62 116.000 118.014 -2.014 1
1 805 . 17 1 1 A 63 63 LYS H H 63 7.790 8.050 -0.260 1
1 806 . 17 1 1 A 63 63 LYS HA H 63 3.960 3.832 0.128 1
1 815 . 17 1 1 A 63 63 LYS C C 63 177.900 178.931 -1.031 1
1 816 . 17 1 1 A 63 63 LYS CA C 63 59.200 59.549 -0.349 1
1 817 . 17 1 1 A 63 63 LYS CB C 63 32.400 31.996 0.404 1
1 821 . 17 1 1 A 63 63 LYS N N 63 119.100 119.050 0.050 1
1 822 . 17 1 1 A 64 64 SER H H 64 7.580 7.422 0.158 1
1 823 . 17 1 1 A 64 64 SER HA H 64 4.260 4.392 -0.132 1
1 826 . 17 1 1 A 64 64 SER C C 64 172.100 173.504 -1.404 1
1 827 . 17 1 1 A 64 64 SER CA C 64 59.300 58.225 1.075 1
1 828 . 17 1 1 A 64 64 SER CB C 64 63.600 63.108 0.492 1
1 829 . 17 1 1 A 64 64 SER N N 64 112.470 111.910 0.560 1
1 830 . 17 1 1 A 65 65 ASN H H 65 7.760 7.911 -0.151 1
1 831 . 17 1 1 A 65 65 ASN HA H 65 3.870 3.997 -0.127 1
1 836 . 17 1 1 A 65 65 ASN C C 65 171.100 173.326 -2.226 1
1 837 . 17 1 1 A 65 65 ASN CA C 65 54.300 54.018 0.282 1
1 838 . 17 1 1 A 65 65 ASN CB C 65 37.500 37.196 0.304 1
1 840 . 17 1 1 A 65 65 ASN N N 65 117.600 118.160 -0.560 1
1 842 . 17 1 1 A 66 66 ILE H H 66 6.820 6.985 -0.165 1
1 843 . 17 1 1 A 66 66 ILE HA H 66 4.590 4.616 -0.026 1
1 853 . 17 1 1 A 66 66 ILE C C 66 174.000 173.803 0.197 1
1 854 . 17 1 1 A 66 66 ILE CA C 66 58.200 59.871 -1.671 1
1 855 . 17 1 1 A 66 66 ILE CB C 66 40.200 40.407 -0.207 1
1 859 . 17 1 1 A 66 66 ILE N N 66 113.900 118.908 -5.008 1
1 860 . 17 1 1 A 67 67 TYR H H 67 8.530 7.390 1.140 1
1 861 . 17 1 1 A 67 67 TYR HA H 67 5.050 5.389 -0.339 1
1 868 . 17 1 1 A 67 67 TYR CA C 67 54.000 54.740 -0.740 1
1 869 . 17 1 1 A 67 67 TYR CB C 67 39.400 39.039 0.361 1
1 874 . 17 1 1 A 67 67 TYR N N 67 120.200 124.860 -4.660 1
1 875 . 17 1 1 A 68 68 PRO HA H 68 5.120 4.947 0.173 1
1 882 . 17 1 1 A 68 68 PRO C C 68 174.600 176.766 -2.166 1
1 883 . 17 1 1 A 68 68 PRO CA C 68 61.500 62.960 -1.460 1
1 884 . 17 1 1 A 68 68 PRO CB C 68 32.200 33.180 -0.980 1
1 887 . 17 1 1 A 69 69 PHE H H 69 8.870 8.660 0.210 1
1 888 . 17 1 1 A 69 69 PHE HA H 69 6.330 5.536 0.794 1
1 896 . 17 1 1 A 69 69 PHE C C 69 173.000 172.888 0.112 1
1 897 . 17 1 1 A 69 69 PHE CA C 69 56.300 56.177 0.123 1
1 898 . 17 1 1 A 69 69 PHE CB C 69 42.900 42.130 0.770 1
1 903 . 17 1 1 A 69 69 PHE N N 69 118.400 117.779 0.621 1
1 904 . 17 1 1 A 70 70 ILE H H 70 9.060 8.563 0.497 1
1 905 . 17 1 1 A 70 70 ILE HA H 70 4.840 4.791 0.049 1
1 915 . 17 1 1 A 70 70 ILE C C 70 175.700 174.854 0.846 1
1 916 . 17 1 1 A 70 70 ILE CA C 70 61.900 59.778 2.122 1
1 917 . 17 1 1 A 70 70 ILE CB C 70 43.000 42.501 0.499 1
1 921 . 17 1 1 A 70 70 ILE N N 70 117.700 121.450 -3.750 1
1 922 . 17 1 1 A 71 71 LEU H H 71 9.320 8.697 0.623 1
1 923 . 17 1 1 A 71 71 LEU HA H 71 5.720 5.320 0.400 1
1 933 . 17 1 1 A 71 71 LEU C C 71 175.600 175.300 0.300 1
1 934 . 17 1 1 A 71 71 LEU CA C 71 52.400 54.351 -1.951 1
1 935 . 17 1 1 A 71 71 LEU CB C 71 43.700 43.494 0.206 1
1 939 . 17 1 1 A 71 71 LEU N N 71 124.800 126.079 -1.279 1
1 940 . 17 1 1 A 72 72 TYR H H 72 9.250 9.222 0.028 1
1 941 . 17 1 1 A 72 72 TYR HA H 72 5.350 5.371 -0.021 1
1 948 . 17 1 1 A 72 72 TYR C C 72 174.100 174.783 -0.683 1
1 949 . 17 1 1 A 72 72 TYR CA C 72 57.300 56.809 0.491 1
1 950 . 17 1 1 A 72 72 TYR CB C 72 44.500 43.363 1.137 1
1 955 . 17 1 1 A 72 72 TYR N N 72 120.700 122.072 -1.372 1
1 956 . 17 1 1 A 73 73 TYR H H 73 9.250 8.924 0.326 1
1 957 . 17 1 1 A 73 73 TYR HA H 73 5.110 4.873 0.237 1
1 964 . 17 1 1 A 73 73 TYR C C 73 174.500 175.269 -0.769 1
1 965 . 17 1 1 A 73 73 TYR CA C 73 56.500 57.881 -1.381 1
1 966 . 17 1 1 A 73 73 TYR CB C 73 40.400 39.978 0.422 1
1 971 . 17 1 1 A 73 73 TYR N N 73 120.300 123.779 -3.479 1
1 972 . 17 1 1 A 74 74 GLN H H 74 9.310 8.743 0.567 1
1 973 . 17 1 1 A 74 74 GLN HA H 74 3.530 3.815 -0.285 1
1 980 . 17 1 1 A 74 74 GLN C C 74 175.400 176.474 -1.074 1
1 981 . 17 1 1 A 74 74 GLN CA C 74 57.200 58.243 -1.043 1
1 982 . 17 1 1 A 74 74 GLN CB C 74 25.500 27.002 -1.502 1
1 985 . 17 1 1 A 74 74 GLN N N 74 126.000 125.164 0.836 1
1 987 . 17 1 1 A 75 75 LYS H H 75 8.530 8.571 -0.041 1
1 988 . 17 1 1 A 75 75 LYS HA H 75 3.820 3.997 -0.177 1
1 997 . 17 1 1 A 75 75 LYS C C 75 175.500 175.956 -0.456 1
1 998 . 17 1 1 A 75 75 LYS CA C 75 57.300 59.704 -2.404 1
1 999 . 17 1 1 A 75 75 LYS CB C 75 30.900 32.891 -1.991 1
1 1003 . 17 1 1 A 75 75 LYS N N 75 113.600 120.331 -6.731 1
1 1004 . 17 1 1 A 76 76 GLN H H 76 8.550 7.661 0.889 1
1 1005 . 17 1 1 A 76 76 GLN HA H 76 4.470 4.700 -0.230 1
1 1012 . 17 1 1 A 76 76 GLN C C 76 175.400 174.656 0.744 1
1 1013 . 17 1 1 A 76 76 GLN CA C 76 54.700 55.179 -0.479 1
1 1014 . 17 1 1 A 76 76 GLN CB C 76 29.900 28.525 1.375 1
1 1017 . 17 1 1 A 76 76 GLN N N 76 122.200 112.983 9.217 1
1 1019 . 17 1 1 A 77 77 LEU H H 77 8.860 8.606 0.254 1
1 1020 . 17 1 1 A 77 77 LEU HA H 77 3.940 4.220 -0.280 1
1 1030 . 17 1 1 A 77 77 LEU C C 77 175.300 176.932 -1.632 1
1 1031 . 17 1 1 A 77 77 LEU CA C 77 56.800 54.880 1.920 1
1 1032 . 17 1 1 A 77 77 LEU CB C 77 41.800 42.586 -0.786 1
1 1036 . 17 1 1 A 77 77 LEU N N 77 128.900 118.719 10.181 1
1 1037 . 17 1 1 A 78 78 ILE H H 78 8.880 9.219 -0.339 1
1 1038 . 17 1 1 A 78 78 ILE HA H 78 4.810 4.353 0.457 1
1 1048 . 17 1 1 A 78 78 ILE C C 78 174.600 175.883 -1.283 1
1 1049 . 17 1 1 A 78 78 ILE CA C 78 58.300 62.126 -3.826 1
1 1050 . 17 1 1 A 78 78 ILE CB C 78 38.270 39.541 -1.271 1
1 1054 . 17 1 1 A 78 78 ILE N N 78 126.900 121.420 5.480 1
1 1055 . 17 1 1 A 79 79 ALA H H 79 7.940 7.464 0.476 1
1 1056 . 17 1 1 A 79 79 ALA HA H 79 5.390 4.716 0.674 1
1 1060 . 17 1 1 A 79 79 ALA C C 79 175.300 175.178 0.122 1
1 1061 . 17 1 1 A 79 79 ALA CA C 79 51.600 51.612 -0.012 1
1 1062 . 17 1 1 A 79 79 ALA CB C 79 24.000 22.747 1.253 1
1 1063 . 17 1 1 A 79 79 ALA N N 79 115.000 119.693 -4.693 1
1 1064 . 17 1 1 A 80 80 ILE H H 80 8.580 8.036 0.544 1
1 1065 . 17 1 1 A 80 80 ILE HA H 80 4.840 5.095 -0.255 1
1 1075 . 17 1 1 A 80 80 ILE C C 80 175.000 175.977 -0.977 1
1 1076 . 17 1 1 A 80 80 ILE CA C 80 60.300 59.417 0.883 1
1 1077 . 17 1 1 A 80 80 ILE CB C 80 42.800 41.163 1.637 1
1 1081 . 17 1 1 A 80 80 ILE N N 80 117.900 120.532 -2.632 1
1 1082 . 17 1 1 A 81 81 GLY H H 81 8.200 7.439 0.761 1
1 1083 . 17 1 1 A 81 81 GLY HA2 H 81 3.750 3.959 -0.209 1
1 1084 . 17 1 1 A 81 81 GLY HA3 H 81 4.070 4.105 -0.035 1
1 1085 . 17 1 1 A 81 81 GLY C C 81 169.100 171.717 -2.617 1
1 1086 . 17 1 1 A 81 81 GLY CA C 81 46.600 45.215 1.385 1
1 1087 . 17 1 1 A 81 81 GLY N N 81 116.400 112.445 3.955 1
1 1088 . 17 1 1 A 82 82 PHE H H 82 8.210 8.131 0.079 1
1 1089 . 17 1 1 A 82 82 PHE HA H 82 5.340 5.705 -0.365 1
1 1094 . 17 1 1 A 82 82 PHE C C 82 172.400 173.011 -0.611 1
1 1095 . 17 1 1 A 82 82 PHE CA C 82 56.300 55.711 0.589 1
1 1096 . 17 1 1 A 82 82 PHE CB C 82 40.100 42.598 -2.498 1
1 1099 . 17 1 1 A 82 82 PHE N N 82 114.500 113.786 0.714 1
1 1100 . 17 1 1 A 83 83 ILE H H 83 8.490 9.095 -0.605 1
1 1101 . 17 1 1 A 83 83 ILE HA H 83 4.740 4.772 -0.032 1
1 1111 . 17 1 1 A 83 83 ILE C C 83 175.200 175.556 -0.356 1
1 1112 . 17 1 1 A 83 83 ILE CA C 83 60.400 60.956 -0.556 1
1 1113 . 17 1 1 A 83 83 ILE CB C 83 39.500 38.921 0.579 1
1 1117 . 17 1 1 A 83 83 ILE N N 83 123.400 121.719 1.681 1
1 1118 . 17 1 1 A 84 84 ASP H H 84 8.550 8.881 -0.331 1
1 1119 . 17 1 1 A 84 84 ASP HA H 84 5.170 4.979 0.191 1
1 1122 . 17 1 1 A 84 84 ASP C C 84 178.600 176.367 2.233 1
1 1123 . 17 1 1 A 84 84 ASP CA C 84 52.200 53.772 -1.572 1
1 1124 . 17 1 1 A 84 84 ASP CB C 84 42.400 42.320 0.080 1
1 1125 . 17 1 1 A 84 84 ASP N N 84 126.900 128.567 -1.667 1
1 1126 . 17 1 1 A 85 85 GLU H H 85 9.250 8.628 0.622 1
1 1127 . 17 1 1 A 85 85 GLU HA H 85 4.350 3.987 0.363 1
1 1132 . 17 1 1 A 85 85 GLU C C 85 176.800 177.449 -0.649 1
1 1133 . 17 1 1 A 85 85 GLU CA C 85 58.400 56.576 1.824 1
1 1134 . 17 1 1 A 85 85 GLU CB C 85 28.700 29.164 -0.464 1
1 1136 . 17 1 1 A 85 85 GLU N N 85 118.000 120.470 -2.470 1
1 1137 . 17 1 1 A 86 86 ASN H H 86 8.280 8.624 -0.344 1
1 1138 . 17 1 1 A 86 86 ASN HA H 86 4.760 4.494 0.266 1
1 1143 . 17 1 1 A 86 86 ASN C C 86 174.600 174.157 0.443 1
1 1144 . 17 1 1 A 86 86 ASN CA C 86 52.800 54.319 -1.519 1
1 1145 . 17 1 1 A 86 86 ASN CB C 86 38.900 37.761 1.139 1
1 1147 . 17 1 1 A 86 86 ASN N N 86 118.300 119.856 -1.556 1
1 1149 . 17 1 1 A 87 87 HIS H H 87 8.570 7.550 1.020 1
1 1150 . 17 1 1 A 87 87 HIS HA H 87 3.940 4.625 -0.685 1
1 1154 . 17 1 1 A 87 87 HIS C C 87 173.600 173.189 0.411 1
1 1155 . 17 1 1 A 87 87 HIS CA C 87 57.000 55.972 1.028 1
1 1156 . 17 1 1 A 87 87 HIS CB C 87 26.700 31.621 -4.921 1
1 1158 . 17 1 1 A 87 87 HIS N N 87 114.000 116.904 -2.904 1
1 1159 . 17 1 1 A 88 88 ASP H H 88 8.210 7.005 1.205 1
1 1160 . 17 1 1 A 88 88 ASP HA H 88 4.840 3.885 0.955 1
1 1163 . 17 1 1 A 88 88 ASP C C 88 174.800 175.112 -0.312 1
1 1164 . 17 1 1 A 88 88 ASP CA C 88 53.900 54.855 -0.955 1
1 1165 . 17 1 1 A 88 88 ASP CB C 88 41.500 39.618 1.882 1
1 1166 . 17 1 1 A 88 88 ASP N N 88 120.300 121.277 -0.977 1
1 1167 . 17 1 1 A 89 89 MET H H 89 8.550 8.679 -0.129 1
1 1168 . 17 1 1 A 89 89 MET HA H 89 4.450 4.992 -0.542 1
1 1176 . 17 1 1 A 89 89 MET C C 89 173.400 173.218 0.182 1
1 1177 . 17 1 1 A 89 89 MET CA C 89 55.800 53.350 2.450 1
1 1178 . 17 1 1 A 89 89 MET CB C 89 34.700 33.691 1.009 1
1 1181 . 17 1 1 A 89 89 MET N N 89 120.400 122.902 -2.502 1
1 1182 . 17 1 1 A 90 90 ASP H H 90 8.420 7.871 0.549 1
1 1183 . 17 1 1 A 90 90 ASP HA H 90 4.580 4.614 -0.034 1
1 1186 . 17 1 1 A 90 90 ASP C C 90 174.600 174.239 0.361 1
1 1187 . 17 1 1 A 90 90 ASP CA C 90 52.300 51.965 0.335 1
1 1188 . 17 1 1 A 90 90 ASP CB C 90 41.800 41.816 -0.016 1
1 1189 . 17 1 1 A 90 90 ASP N N 90 126.900 125.070 1.830 1
1 1190 . 17 1 1 A 91 91 PHE H H 91 8.350 8.799 -0.449 1
1 1191 . 17 1 1 A 91 91 PHE HA H 91 4.780 4.950 -0.170 1
1 1199 . 17 1 1 A 91 91 PHE C C 91 175.600 176.041 -0.441 1
1 1200 . 17 1 1 A 91 91 PHE CA C 91 58.200 56.204 1.996 1
1 1201 . 17 1 1 A 91 91 PHE CB C 91 41.400 41.389 0.011 1
1 1207 . 17 1 1 A 91 91 PHE N N 91 118.600 124.856 -6.256 1
1 1208 . 17 1 1 A 92 92 LEU H H 92 9.060 8.406 0.654 1
1 1209 . 17 1 1 A 92 92 LEU HA H 92 4.330 4.633 -0.303 1
1 1219 . 17 1 1 A 92 92 LEU C C 92 175.700 176.378 -0.678 1
1 1220 . 17 1 1 A 92 92 LEU CA C 92 55.200 55.014 0.186 1
1 1221 . 17 1 1 A 92 92 LEU CB C 92 43.500 43.340 0.160 1
1 1225 . 17 1 1 A 92 92 LEU N N 92 121.100 119.311 1.789 1
1 1226 . 17 1 1 A 93 93 TYR H H 93 7.970 7.631 0.339 1
1 1227 . 17 1 1 A 93 93 TYR HA H 93 4.780 4.888 -0.108 1
1 1234 . 17 1 1 A 93 93 TYR C C 93 172.800 173.000 -0.200 1
1 1235 . 17 1 1 A 93 93 TYR CA C 93 57.600 57.677 -0.077 1
1 1236 . 17 1 1 A 93 93 TYR CB C 93 42.500 40.894 1.606 1
1 1241 . 17 1 1 A 93 93 TYR N N 93 118.600 120.060 -1.460 1
1 1242 . 17 1 1 A 94 94 LEU H H 94 8.220 8.746 -0.526 1
1 1243 . 17 1 1 A 94 94 LEU HA H 94 5.060 5.042 0.018 1
1 1253 . 17 1 1 A 94 94 LEU C C 94 171.900 174.177 -2.277 1
1 1254 . 17 1 1 A 94 94 LEU CA C 94 55.100 53.129 1.971 1
1 1255 . 17 1 1 A 94 94 LEU CB C 94 44.800 45.094 -0.294 1
1 1259 . 17 1 1 A 94 94 LEU N N 94 128.600 130.263 -1.663 1
1 1260 . 17 1 1 A 95 95 HIS H H 95 9.720 8.475 1.245 1
1 1261 . 17 1 1 A 95 95 HIS HA H 95 4.570 5.024 -0.454 1
1 1266 . 17 1 1 A 95 95 HIS C C 95 173.100 173.726 -0.626 1
1 1267 . 17 1 1 A 95 95 HIS CA C 95 55.500 54.051 1.449 1
1 1268 . 17 1 1 A 95 95 HIS CB C 95 35.900 32.333 3.567 1
1 1271 . 17 1 1 A 95 95 HIS N N 95 133.000 126.141 6.859 1
1 1272 . 17 1 1 A 96 96 ASN H H 96 7.670 8.761 -1.091 1
1 1273 . 17 1 1 A 96 96 ASN HA H 96 4.930 5.036 -0.106 1
1 1278 . 17 1 1 A 96 96 ASN C C 96 176.100 177.555 -1.455 1
1 1279 . 17 1 1 A 96 96 ASN CA C 96 51.000 51.328 -0.328 1
1 1280 . 17 1 1 A 96 96 ASN CB C 96 38.500 39.480 -0.980 1
1 1281 . 17 1 1 A 96 96 ASN N N 96 118.600 123.433 -4.833 1
1 1283 . 17 1 1 A 97 97 THR H H 97 10.580 8.555 2.025 1
1 1284 . 17 1 1 A 97 97 THR HA H 97 4.090 4.031 0.059 1
1 1289 . 17 1 1 A 97 97 THR C C 97 174.600 174.518 0.082 1
1 1290 . 17 1 1 A 97 97 THR CA C 97 67.000 64.664 2.336 1
1 1291 . 17 1 1 A 97 97 THR CB C 97 68.300 68.697 -0.397 1
1 1293 . 17 1 1 A 97 97 THR N N 97 116.300 111.568 4.732 1
1 1294 . 17 1 1 A 98 98 VAL H H 98 8.440 7.881 0.559 1
1 1295 . 17 1 1 A 98 98 VAL HA H 98 4.180 4.322 -0.142 1
1 1303 . 17 1 1 A 98 98 VAL C C 98 174.800 175.418 -0.618 1
1 1304 . 17 1 1 A 98 98 VAL CA C 98 64.400 60.410 3.990 1
1 1305 . 17 1 1 A 98 98 VAL CB C 98 33.100 32.211 0.889 1
1 1308 . 17 1 1 A 98 98 VAL N N 98 123.900 122.058 1.842 1
1 1309 . 17 1 1 A 99 99 MET H H 99 8.590 8.329 0.261 1
1 1310 . 17 1 1 A 99 99 MET HA H 99 4.720 4.504 0.216 1
1 1318 . 17 1 1 A 99 99 MET CA C 99 52.400 55.255 -2.855 1
1 1319 . 17 1 1 A 99 99 MET CB C 99 34.100 31.422 2.678 1
1 1322 . 17 1 1 A 99 99 MET N N 99 118.700 127.252 -8.552 1
1 1323 . 17 1 1 A 100 100 PRO HA H 100 4.210 4.448 -0.238 1
1 1330 . 17 1 1 A 100 100 PRO C C 100 175.900 176.237 -0.337 1
1 1331 . 17 1 1 A 100 100 PRO CA C 100 62.100 62.806 -0.706 1
1 1332 . 17 1 1 A 100 100 PRO CB C 100 31.000 32.032 -1.032 1
1 1335 . 17 1 1 A 101 101 LEU H H 101 9.010 8.604 0.406 1
1 1336 . 17 1 1 A 101 101 LEU HA H 101 4.310 4.337 -0.027 1
1 1346 . 17 1 1 A 101 101 LEU C C 101 176.900 178.470 -1.570 1
1 1347 . 17 1 1 A 101 101 LEU CA C 101 55.000 56.371 -1.371 1
1 1348 . 17 1 1 A 101 101 LEU CB C 101 42.800 42.554 0.246 1
1 1352 . 17 1 1 A 101 101 LEU N N 101 124.000 120.846 3.154 1
1 1353 . 17 1 1 A 102 102 LEU H H 102 7.620 7.830 -0.210 1
1 1354 . 17 1 1 A 102 102 LEU HA H 102 4.360 4.089 0.271 1
1 1364 . 17 1 1 A 102 102 LEU C C 102 174.800 176.435 -1.635 1
1 1365 . 17 1 1 A 102 102 LEU CA C 102 54.900 57.882 -2.982 1
1 1366 . 17 1 1 A 102 102 LEU CB C 102 45.300 42.104 3.196 1
1 1370 . 17 1 1 A 102 102 LEU N N 102 119.000 120.032 -1.032 1
1 1371 . 17 1 1 A 103 103 ASP H H 103 9.120 8.038 1.082 1
1 1372 . 17 1 1 A 103 103 ASP HA H 103 5.100 4.284 0.816 1
1 1375 . 17 1 1 A 103 103 ASP C C 103 174.500 175.094 -0.594 1
1 1376 . 17 1 1 A 103 103 ASP CA C 103 54.900 54.754 0.146 1
1 1377 . 17 1 1 A 103 103 ASP CB C 103 41.000 38.330 2.670 1
1 1378 . 17 1 1 A 103 103 ASP N N 103 120.700 118.454 2.246 1
1 1379 . 17 1 1 A 104 104 GLN H H 104 8.990 8.228 0.762 1
1 1380 . 17 1 1 A 104 104 GLN HA H 104 4.710 4.663 0.047 1
1 1387 . 17 1 1 A 104 104 GLN C C 104 176.100 176.154 -0.054 1
1 1388 . 17 1 1 A 104 104 GLN CA C 104 54.100 55.191 -1.091 1
1 1389 . 17 1 1 A 104 104 GLN CB C 104 28.500 29.259 -0.759 1
1 1392 . 17 1 1 A 104 104 GLN N N 104 125.400 119.111 6.289 1
1 1394 . 17 1 1 A 105 105 ARG H H 105 8.380 8.821 -0.441 1
1 1395 . 17 1 1 A 105 105 ARG HA H 105 3.510 3.931 -0.421 1
1 1402 . 17 1 1 A 105 105 ARG C C 105 177.500 177.909 -0.409 1
1 1403 . 17 1 1 A 105 105 ARG CA C 105 60.200 59.658 0.542 1
1 1404 . 17 1 1 A 105 105 ARG CB C 105 29.400 29.565 -0.165 1
1 1407 . 17 1 1 A 105 105 ARG N N 105 117.700 126.222 -8.522 1
1 1408 . 17 1 1 A 106 106 TYR H H 106 7.800 8.038 -0.238 1
1 1409 . 17 1 1 A 106 106 TYR HA H 106 4.360 4.388 -0.028 1
1 1416 . 17 1 1 A 106 106 TYR C C 106 176.800 178.437 -1.637 1
1 1417 . 17 1 1 A 106 106 TYR CA C 106 58.600 60.353 -1.753 1
1 1418 . 17 1 1 A 106 106 TYR CB C 106 36.000 38.328 -2.328 1
1 1423 . 17 1 1 A 106 106 TYR N N 106 118.100 119.339 -1.239 1
1 1424 . 17 1 1 A 107 107 LEU H H 107 7.170 8.387 -1.217 1
1 1425 . 17 1 1 A 107 107 LEU HA H 107 3.970 4.079 -0.109 1
1 1435 . 17 1 1 A 107 107 LEU C C 107 178.300 179.202 -0.902 1
1 1436 . 17 1 1 A 107 107 LEU CA C 107 56.600 58.062 -1.462 1
1 1437 . 17 1 1 A 107 107 LEU CB C 107 41.800 41.746 0.054 1
1 1441 . 17 1 1 A 107 107 LEU N N 107 121.900 120.478 1.422 1
1 1442 . 17 1 1 A 108 108 LEU H H 108 7.680 7.705 -0.025 1
1 1443 . 17 1 1 A 108 108 LEU HA H 108 4.070 3.508 0.562 1
1 1453 . 17 1 1 A 108 108 LEU C C 108 177.500 178.732 -1.232 1
1 1454 . 17 1 1 A 108 108 LEU CA C 108 55.400 57.990 -2.590 1
1 1455 . 17 1 1 A 108 108 LEU CB C 108 41.500 41.594 -0.094 1
1 1459 . 17 1 1 A 108 108 LEU N N 108 115.400 119.990 -4.590 1
1 1460 . 17 1 1 A 109 109 THR H H 109 7.510 8.309 -0.799 1
1 1461 . 17 1 1 A 109 109 THR HA H 109 4.310 4.548 -0.238 1
1 1466 . 17 1 1 A 109 109 THR C C 109 175.300 175.037 0.263 1
1 1467 . 17 1 1 A 109 109 THR CA C 109 61.600 61.870 -0.270 1
1 1468 . 17 1 1 A 109 109 THR CB C 109 69.500 69.563 -0.063 1
1 1470 . 17 1 1 A 109 109 THR N N 109 108.800 106.470 2.330 1
1 1471 . 17 1 1 A 110 110 GLY H H 110 8.010 7.954 0.056 1
1 1472 . 17 1 1 A 110 110 GLY HA2 H 110 3.950 4.122 -0.172 1
1 1473 . 17 1 1 A 110 110 GLY HA3 H 110 4.030 4.204 -0.174 1
1 1474 . 17 1 1 A 110 110 GLY C C 110 174.500 174.046 0.454 1
1 1475 . 17 1 1 A 110 110 GLY CA C 110 45.400 44.455 0.945 1
1 1476 . 17 1 1 A 110 110 GLY N N 110 110.100 110.952 -0.852 1
1 1477 . 17 1 1 A 111 111 GLY H H 111 8.310 8.505 -0.195 1
1 1478 . 17 1 1 A 111 111 GLY HA2 H 111 3.930 4.027 -0.097 1
1 1479 . 17 1 1 A 111 111 GLY HA3 H 111 3.930 4.076 -0.146 1
1 1480 . 17 1 1 A 111 111 GLY C C 111 173.700 175.002 -1.302 1
1 1481 . 17 1 1 A 111 111 GLY CA C 111 45.400 45.202 0.198 1
1 1482 . 17 1 1 A 111 111 GLY N N 111 108.300 108.381 -0.081 1
1 1483 . 17 1 1 A 112 112 GLN H H 112 8.280 9.010 -0.730 1
1 1484 . 17 1 1 A 112 112 GLN HA H 112 4.270 3.904 0.366 1
1 1491 . 17 1 1 A 112 112 GLN C C 112 175.700 176.139 -0.439 1
1 1492 . 17 1 1 A 112 112 GLN CA C 112 55.600 56.457 -0.857 1
1 1493 . 17 1 1 A 112 112 GLN CB C 112 29.200 27.432 1.768 1
1 1496 . 17 1 1 A 112 112 GLN N N 112 119.200 117.606 1.594 1
1 1498 . 17 1 1 A 113 113 LEU H H 113 8.260 8.287 -0.027 1
1 1499 . 17 1 1 A 113 113 LEU HA H 113 4.180 4.322 -0.142 1
1 1509 . 17 1 1 A 113 113 LEU C C 113 177.000 176.966 0.034 1
1 1510 . 17 1 1 A 113 113 LEU CA C 113 55.100 55.286 -0.186 1
1 1511 . 17 1 1 A 113 113 LEU CB C 113 42.100 42.490 -0.390 1
1 1515 . 17 1 1 A 113 113 LEU N N 113 122.800 122.221 0.579 1
1 1516 . 17 1 1 A 114 114 GLU H H 114 8.290 7.677 0.613 1
1 1517 . 17 1 1 A 114 114 GLU HA H 114 4.140 4.410 -0.270 1
1 1522 . 17 1 1 A 114 114 GLU CA C 114 56.300 55.739 0.561 1
1 1523 . 17 1 1 A 114 114 GLU CB C 114 30.200 30.108 0.092 1
1 1 . 18 1 1 A 2 2 THR HA H 2 4.300 4.564 -0.264 1
1 6 . 18 1 1 A 2 2 THR C C 2 174.800 176.180 -1.380 1
1 7 . 18 1 1 A 2 2 THR CA C 2 61.100 60.693 0.407 1
1 8 . 18 1 1 A 2 2 THR CB C 2 70.400 71.276 -0.876 1
1 10 . 18 1 1 A 3 3 LEU H H 3 8.760 8.799 -0.039 1
1 11 . 18 1 1 A 3 3 LEU HA H 3 4.110 3.894 0.216 1
1 21 . 18 1 1 A 3 3 LEU C C 3 178.300 178.384 -0.084 1
1 22 . 18 1 1 A 3 3 LEU CA C 3 57.800 58.224 -0.424 1
1 23 . 18 1 1 A 3 3 LEU CB C 3 41.600 41.595 0.005 1
1 27 . 18 1 1 A 3 3 LEU N N 3 123.600 122.736 0.864 1
1 28 . 18 1 1 A 4 4 GLU H H 4 8.740 7.984 0.756 1
1 29 . 18 1 1 A 4 4 GLU HA H 4 3.670 3.930 -0.260 1
1 34 . 18 1 1 A 4 4 GLU C C 4 177.900 179.067 -1.167 1
1 35 . 18 1 1 A 4 4 GLU CA C 4 60.000 59.189 0.811 1
1 36 . 18 1 1 A 4 4 GLU CB C 4 29.200 29.624 -0.424 1
1 38 . 18 1 1 A 4 4 GLU N N 4 116.500 118.516 -2.016 1
1 39 . 18 1 1 A 5 5 LEU H H 5 7.340 7.667 -0.327 1
1 40 . 18 1 1 A 5 5 LEU HA H 5 3.900 3.974 -0.074 1
1 50 . 18 1 1 A 5 5 LEU C C 5 178.900 178.730 0.170 1
1 51 . 18 1 1 A 5 5 LEU CA C 5 56.900 57.724 -0.824 1
1 52 . 18 1 1 A 5 5 LEU CB C 5 41.200 41.767 -0.567 1
1 56 . 18 1 1 A 5 5 LEU N N 5 120.500 120.981 -0.481 1
1 57 . 18 1 1 A 6 6 GLN H H 6 8.350 8.059 0.291 1
1 58 . 18 1 1 A 6 6 GLN HA H 6 3.970 4.077 -0.107 1
1 63 . 18 1 1 A 6 6 GLN C C 6 179.700 178.564 1.136 1
1 64 . 18 1 1 A 6 6 GLN CA C 6 59.100 58.406 0.694 1
1 65 . 18 1 1 A 6 6 GLN CB C 6 29.100 28.268 0.832 1
1 67 . 18 1 1 A 6 6 GLN N N 6 120.800 118.129 2.671 1
1 68 . 18 1 1 A 7 7 LEU H H 7 8.620 8.561 0.059 1
1 69 . 18 1 1 A 7 7 LEU HA H 7 4.010 4.124 -0.114 1
1 79 . 18 1 1 A 7 7 LEU C C 7 176.900 178.722 -1.822 1
1 80 . 18 1 1 A 7 7 LEU CA C 7 57.800 57.932 -0.132 1
1 81 . 18 1 1 A 7 7 LEU CB C 7 41.700 41.687 0.013 1
1 85 . 18 1 1 A 7 7 LEU N N 7 121.000 121.255 -0.255 1
1 86 . 18 1 1 A 8 8 LYS H H 8 7.750 8.047 -0.297 1
1 87 . 18 1 1 A 8 8 LYS HA H 8 3.570 3.997 -0.427 1
1 96 . 18 1 1 A 8 8 LYS C C 8 179.400 178.853 0.547 1
1 97 . 18 1 1 A 8 8 LYS CA C 8 59.000 58.684 0.316 1
1 98 . 18 1 1 A 8 8 LYS CB C 8 32.400 31.967 0.433 1
1 102 . 18 1 1 A 8 8 LYS N N 8 119.700 118.499 1.201 1
1 103 . 18 1 1 A 9 9 HIS H H 9 8.520 7.950 0.570 1
1 104 . 18 1 1 A 9 9 HIS HA H 9 4.050 4.558 -0.508 1
1 107 . 18 1 1 A 9 9 HIS C C 9 176.500 176.634 -0.134 1
1 108 . 18 1 1 A 9 9 HIS CA C 9 59.400 58.834 0.566 1
1 109 . 18 1 1 A 9 9 HIS CB C 9 29.900 30.703 -0.803 1
1 110 . 18 1 1 A 9 9 HIS N N 9 120.500 120.103 0.397 1
1 111 . 18 1 1 A 10 10 TYR H H 10 7.990 8.185 -0.195 1
1 112 . 18 1 1 A 10 10 TYR HA H 10 4.160 4.076 0.084 1
1 119 . 18 1 1 A 10 10 TYR C C 10 177.400 177.136 0.264 1
1 120 . 18 1 1 A 10 10 TYR CA C 10 61.800 61.465 0.335 1
1 121 . 18 1 1 A 10 10 TYR CB C 10 39.500 38.827 0.673 1
1 126 . 18 1 1 A 10 10 TYR N N 10 119.200 120.131 -0.931 1
1 127 . 18 1 1 A 11 11 ILE H H 11 8.710 8.339 0.371 1
1 128 . 18 1 1 A 11 11 ILE HA H 11 3.540 3.538 0.002 1
1 138 . 18 1 1 A 11 11 ILE CA C 11 61.600 64.469 -2.869 1
1 139 . 18 1 1 A 11 11 ILE CB C 11 36.200 37.781 -1.581 1
1 143 . 18 1 1 A 11 11 ILE N N 11 118.900 120.696 -1.796 1
1 144 . 18 1 1 A 12 12 THR HA H 12 3.840 4.039 -0.199 1
1 149 . 18 1 1 A 12 12 THR C C 12 176.900 176.520 0.380 1
1 150 . 18 1 1 A 12 12 THR CA C 12 66.400 65.754 0.646 1
1 151 . 18 1 1 A 12 12 THR CB C 12 68.300 68.218 0.082 1
1 153 . 18 1 1 A 13 13 ASN H H 13 7.440 8.244 -0.804 1
1 154 . 18 1 1 A 13 13 ASN HA H 13 4.420 4.310 0.110 1
1 159 . 18 1 1 A 13 13 ASN C C 13 176.700 177.169 -0.469 1
1 160 . 18 1 1 A 13 13 ASN CA C 13 55.900 56.327 -0.427 1
1 161 . 18 1 1 A 13 13 ASN CB C 13 38.600 38.405 0.195 1
1 163 . 18 1 1 A 13 13 ASN N N 13 118.300 120.324 -2.024 1
1 165 . 18 1 1 A 14 14 LEU H H 14 7.890 7.771 0.119 1
1 166 . 18 1 1 A 14 14 LEU HA H 14 3.660 3.692 -0.032 1
1 176 . 18 1 1 A 14 14 LEU C C 14 177.900 177.608 0.292 1
1 177 . 18 1 1 A 14 14 LEU CA C 14 57.600 57.525 0.075 1
1 178 . 18 1 1 A 14 14 LEU CB C 14 42.600 41.008 1.592 1
1 182 . 18 1 1 A 14 14 LEU N N 14 122.100 120.334 1.766 1
1 183 . 18 1 1 A 15 15 PHE H H 15 7.670 7.772 -0.102 1
1 184 . 18 1 1 A 15 15 PHE HA H 15 4.490 4.519 -0.029 1
1 191 . 18 1 1 A 15 15 PHE C C 15 173.800 174.554 -0.754 1
1 192 . 18 1 1 A 15 15 PHE CA C 15 57.900 56.953 0.947 1
1 193 . 18 1 1 A 15 15 PHE CB C 15 38.900 39.660 -0.760 1
1 198 . 18 1 1 A 15 15 PHE N N 15 111.800 113.656 -1.856 1
1 199 . 18 1 1 A 16 16 ASN H H 16 7.450 8.088 -0.638 1
1 200 . 18 1 1 A 16 16 ASN HA H 16 4.420 4.185 0.235 1
1 205 . 18 1 1 A 16 16 ASN C C 16 174.200 174.263 -0.063 1
1 206 . 18 1 1 A 16 16 ASN CA C 16 54.100 54.456 -0.356 1
1 207 . 18 1 1 A 16 16 ASN CB C 16 36.500 36.706 -0.206 1
1 209 . 18 1 1 A 16 16 ASN N N 16 118.500 114.055 4.445 1
1 211 . 18 1 1 A 17 17 LEU H H 17 8.410 7.960 0.450 1
1 212 . 18 1 1 A 17 17 LEU HA H 17 4.630 4.524 0.106 1
1 222 . 18 1 1 A 17 17 LEU CA C 17 52.300 52.745 -0.445 1
1 223 . 18 1 1 A 17 17 LEU CB C 17 41.000 41.354 -0.354 1
1 227 . 18 1 1 A 17 17 LEU N N 17 118.700 119.839 -1.139 1
1 228 . 18 1 1 A 18 18 PRO HA H 18 4.380 4.462 -0.082 1
1 235 . 18 1 1 A 18 18 PRO C C 18 178.600 177.109 1.491 1
1 236 . 18 1 1 A 18 18 PRO CA C 18 63.100 63.536 -0.436 1
1 237 . 18 1 1 A 18 18 PRO CB C 18 31.800 32.333 -0.533 1
1 240 . 18 1 1 A 19 19 ARG H H 19 8.650 8.313 0.337 1
1 241 . 18 1 1 A 19 19 ARG HA H 19 3.820 4.203 -0.383 1
1 248 . 18 1 1 A 19 19 ARG C C 19 176.500 176.393 0.107 1
1 249 . 18 1 1 A 19 19 ARG CA C 19 58.100 57.393 0.707 1
1 250 . 18 1 1 A 19 19 ARG CB C 19 30.300 30.724 -0.424 1
1 253 . 18 1 1 A 19 19 ARG N N 19 124.600 121.746 2.854 1
1 254 . 18 1 1 A 20 20 ASP H H 20 8.390 8.255 0.135 1
1 255 . 18 1 1 A 20 20 ASP HA H 20 4.550 4.474 0.076 1
1 258 . 18 1 1 A 20 20 ASP C C 20 175.700 175.966 -0.266 1
1 259 . 18 1 1 A 20 20 ASP CA C 20 53.000 54.188 -1.188 1
1 260 . 18 1 1 A 20 20 ASP CB C 20 40.400 39.639 0.761 1
1 261 . 18 1 1 A 20 20 ASP N N 20 114.300 117.629 -3.329 1
1 262 . 18 1 1 A 21 21 GLU H H 21 6.780 7.805 -1.025 1
1 263 . 18 1 1 A 21 21 GLU HA H 21 4.150 4.678 -0.528 1
1 268 . 18 1 1 A 21 21 GLU C C 21 175.400 175.732 -0.332 1
1 269 . 18 1 1 A 21 21 GLU CA C 21 56.200 55.712 0.488 1
1 270 . 18 1 1 A 21 21 GLU CB C 21 31.600 31.315 0.285 1
1 272 . 18 1 1 A 21 21 GLU N N 21 121.600 121.417 0.183 1
1 273 . 18 1 1 A 22 22 LYS H H 22 8.860 8.719 0.141 1
1 274 . 18 1 1 A 22 22 LYS HA H 22 4.160 4.320 -0.160 1
1 283 . 18 1 1 A 22 22 LYS C C 22 176.100 176.351 -0.251 1
1 284 . 18 1 1 A 22 22 LYS CA C 22 57.200 55.880 1.320 1
1 285 . 18 1 1 A 22 22 LYS CB C 22 33.000 33.348 -0.348 1
1 289 . 18 1 1 A 22 22 LYS N N 22 128.900 127.335 1.565 1
1 290 . 18 1 1 A 23 23 TRP H H 23 8.750 8.698 0.052 1
1 291 . 18 1 1 A 23 23 TRP HA H 23 5.400 5.139 0.261 1
1 300 . 18 1 1 A 23 23 TRP C C 23 176.500 175.629 0.871 1
1 301 . 18 1 1 A 23 23 TRP CA C 23 54.600 56.692 -2.092 1
1 302 . 18 1 1 A 23 23 TRP CB C 23 31.100 32.986 -1.886 1
1 308 . 18 1 1 A 23 23 TRP N N 23 126.100 124.427 1.673 1
1 310 . 18 1 1 A 24 24 GLU H H 24 9.040 8.433 0.607 1
1 311 . 18 1 1 A 24 24 GLU HA H 24 4.590 4.859 -0.269 1
1 316 . 18 1 1 A 24 24 GLU C C 24 174.100 175.460 -1.360 1
1 317 . 18 1 1 A 24 24 GLU CA C 24 54.200 55.172 -0.972 1
1 318 . 18 1 1 A 24 24 GLU CB C 24 31.600 31.302 0.298 1
1 320 . 18 1 1 A 24 24 GLU N N 24 122.700 119.842 2.858 1
1 321 . 18 1 1 A 25 25 CYS H H 25 8.740 8.954 -0.214 1
1 322 . 18 1 1 A 25 25 CYS HA H 25 4.870 4.945 -0.075 1
1 325 . 18 1 1 A 25 25 CYS C C 25 174.400 174.212 0.188 1
1 326 . 18 1 1 A 25 25 CYS CA C 25 57.200 58.164 -0.964 1
1 327 . 18 1 1 A 25 25 CYS CB C 25 30.200 28.286 1.914 1
1 328 . 18 1 1 A 25 25 CYS N N 25 119.900 123.939 -4.039 1
1 329 . 18 1 1 A 26 26 GLU H H 26 9.220 8.455 0.765 1
1 330 . 18 1 1 A 26 26 GLU HA H 26 4.740 5.041 -0.301 1
1 335 . 18 1 1 A 26 26 GLU C C 26 175.000 174.314 0.686 1
1 336 . 18 1 1 A 26 26 GLU CA C 26 55.100 54.685 0.415 1
1 337 . 18 1 1 A 26 26 GLU CB C 26 31.700 33.347 -1.647 1
1 339 . 18 1 1 A 26 26 GLU N N 26 131.200 125.207 5.993 1
1 340 . 18 1 1 A 27 27 SER H H 27 8.900 8.850 0.050 1
1 341 . 18 1 1 A 27 27 SER HA H 27 5.750 5.052 0.698 1
1 344 . 18 1 1 A 27 27 SER C C 27 173.600 173.506 0.094 1
1 345 . 18 1 1 A 27 27 SER CA C 27 56.700 56.914 -0.214 1
1 346 . 18 1 1 A 27 27 SER CB C 27 64.200 64.436 -0.236 1
1 347 . 18 1 1 A 27 27 SER N N 27 125.100 122.245 2.855 1
1 348 . 18 1 1 A 28 28 ILE H H 28 8.540 8.451 0.089 1
1 349 . 18 1 1 A 28 28 ILE HA H 28 4.680 4.855 -0.175 1
1 359 . 18 1 1 A 28 28 ILE C C 28 174.100 174.130 -0.030 1
1 360 . 18 1 1 A 28 28 ILE CA C 28 59.800 59.139 0.661 1
1 361 . 18 1 1 A 28 28 ILE CB C 28 42.700 42.142 0.558 1
1 365 . 18 1 1 A 28 28 ILE N N 28 123.200 127.445 -4.245 1
1 366 . 18 1 1 A 29 29 GLU H H 29 8.430 8.537 -0.107 1
1 367 . 18 1 1 A 29 29 GLU HA H 29 5.430 4.895 0.535 1
1 372 . 18 1 1 A 29 29 GLU C C 29 176.000 175.701 0.299 1
1 373 . 18 1 1 A 29 29 GLU CA C 29 55.600 55.984 -0.384 1
1 374 . 18 1 1 A 29 29 GLU CB C 29 31.200 30.502 0.698 1
1 376 . 18 1 1 A 29 29 GLU N N 29 123.900 127.638 -3.738 1
1 377 . 18 1 1 A 30 30 GLU H H 30 8.850 8.399 0.451 1
1 378 . 18 1 1 A 30 30 GLU HA H 30 4.730 4.799 -0.069 1
1 383 . 18 1 1 A 30 30 GLU C C 30 174.300 174.999 -0.699 1
1 384 . 18 1 1 A 30 30 GLU CA C 30 54.700 54.903 -0.203 1
1 385 . 18 1 1 A 30 30 GLU CB C 30 34.400 33.816 0.584 1
1 387 . 18 1 1 A 30 30 GLU N N 30 121.900 124.064 -2.164 1
1 388 . 18 1 1 A 31 31 VAL H H 31 9.260 8.860 0.400 1
1 389 . 18 1 1 A 31 31 VAL HA H 31 4.250 4.033 0.217 1
1 397 . 18 1 1 A 31 31 VAL C C 31 177.700 176.765 0.935 1
1 398 . 18 1 1 A 31 31 VAL CA C 31 62.500 63.619 -1.119 1
1 399 . 18 1 1 A 31 31 VAL CB C 31 31.800 31.769 0.031 1
1 402 . 18 1 1 A 31 31 VAL N N 31 124.500 126.428 -1.928 1
1 403 . 18 1 1 A 32 32 ALA H H 32 9.250 8.995 0.255 1
1 404 . 18 1 1 A 32 32 ALA HA H 32 3.710 4.032 -0.322 1
1 408 . 18 1 1 A 32 32 ALA C C 32 178.600 179.430 -0.830 1
1 409 . 18 1 1 A 32 32 ALA CA C 32 55.800 55.740 0.060 1
1 410 . 18 1 1 A 32 32 ALA CB C 32 19.400 18.168 1.232 1
1 411 . 18 1 1 A 32 32 ALA N N 32 129.900 128.696 1.204 1
1 412 . 18 1 1 A 33 33 ASP H H 33 9.510 8.290 1.220 1
1 413 . 18 1 1 A 33 33 ASP HA H 33 4.180 4.429 -0.249 1
1 416 . 18 1 1 A 33 33 ASP C C 33 176.300 178.259 -1.959 1
1 417 . 18 1 1 A 33 33 ASP CA C 33 54.600 57.296 -2.696 1
1 418 . 18 1 1 A 33 33 ASP CB C 33 39.200 41.805 -2.605 1
1 419 . 18 1 1 A 33 33 ASP N N 33 110.700 118.858 -8.158 1
1 420 . 18 1 1 A 34 34 ASP H H 34 7.830 8.126 -0.296 1
1 421 . 18 1 1 A 34 34 ASP HA H 34 4.650 4.498 0.152 1
1 424 . 18 1 1 A 34 34 ASP C C 34 176.300 176.847 -0.547 1
1 425 . 18 1 1 A 34 34 ASP CA C 34 55.100 56.475 -1.375 1
1 426 . 18 1 1 A 34 34 ASP CB C 34 41.000 40.673 0.327 1
1 427 . 18 1 1 A 34 34 ASP N N 34 114.700 117.517 -2.817 1
1 428 . 18 1 1 A 35 35 ILE H H 35 7.290 7.861 -0.571 1
1 429 . 18 1 1 A 35 35 ILE HA H 35 4.490 4.330 0.160 1
1 439 . 18 1 1 A 35 35 ILE C C 35 174.100 175.089 -0.989 1
1 440 . 18 1 1 A 35 35 ILE CA C 35 60.700 61.633 -0.933 1
1 441 . 18 1 1 A 35 35 ILE CB C 35 40.600 40.460 0.140 1
1 445 . 18 1 1 A 35 35 ILE N N 35 113.400 118.723 -5.323 1
1 446 . 18 1 1 A 36 36 LEU H H 36 7.730 8.639 -0.909 1
1 447 . 18 1 1 A 36 36 LEU HA H 36 4.800 4.769 0.031 1
1 457 . 18 1 1 A 36 36 LEU CA C 36 52.200 51.350 0.850 1
1 458 . 18 1 1 A 36 36 LEU CB C 36 42.700 43.088 -0.388 1
1 462 . 18 1 1 A 36 36 LEU N N 36 120.400 123.991 -3.591 1
1 463 . 18 1 1 A 37 37 PRO HA H 37 4.440 4.577 -0.137 1
1 470 . 18 1 1 A 37 37 PRO C C 37 177.100 177.440 -0.340 1
1 471 . 18 1 1 A 37 37 PRO CA C 37 63.100 62.892 0.208 1
1 472 . 18 1 1 A 37 37 PRO CB C 37 32.700 32.750 -0.050 1
1 475 . 18 1 1 A 38 38 ASP H H 38 8.690 8.791 -0.101 1
1 476 . 18 1 1 A 38 38 ASP HA H 38 4.230 4.274 -0.044 1
1 479 . 18 1 1 A 38 38 ASP C C 38 177.800 178.186 -0.386 1
1 480 . 18 1 1 A 38 38 ASP CA C 38 57.900 56.266 1.634 1
1 481 . 18 1 1 A 38 38 ASP CB C 38 42.200 40.009 2.191 1
1 482 . 18 1 1 A 38 38 ASP N N 38 123.800 122.578 1.222 1
1 483 . 18 1 1 A 39 39 GLN H H 39 9.080 7.887 1.193 1
1 484 . 18 1 1 A 39 39 GLN HA H 39 3.990 3.895 0.095 1
1 491 . 18 1 1 A 39 39 GLN C C 39 176.400 175.383 1.017 1
1 492 . 18 1 1 A 39 39 GLN CA C 39 58.000 58.561 -0.561 1
1 493 . 18 1 1 A 39 39 GLN CB C 39 27.300 28.823 -1.523 1
1 496 . 18 1 1 A 39 39 GLN N N 39 115.100 117.882 -2.782 1
1 498 . 18 1 1 A 40 40 TYR H H 40 7.510 7.791 -0.281 1
1 499 . 18 1 1 A 40 40 TYR HA H 40 4.730 4.891 -0.161 1
1 506 . 18 1 1 A 40 40 TYR C C 40 174.200 175.169 -0.969 1
1 507 . 18 1 1 A 40 40 TYR CA C 40 57.000 55.908 1.092 1
1 508 . 18 1 1 A 40 40 TYR CB C 40 39.400 37.882 1.518 1
1 513 . 18 1 1 A 40 40 TYR N N 40 116.800 116.787 0.013 1
1 514 . 18 1 1 A 41 41 VAL H H 41 7.370 8.215 -0.845 1
1 515 . 18 1 1 A 41 41 VAL HA H 41 4.000 4.350 -0.350 1
1 523 . 18 1 1 A 41 41 VAL C C 41 175.400 176.660 -1.260 1
1 524 . 18 1 1 A 41 41 VAL CA C 41 62.800 62.841 -0.041 1
1 525 . 18 1 1 A 41 41 VAL CB C 41 34.300 34.219 0.081 1
1 528 . 18 1 1 A 41 41 VAL N N 41 116.100 121.908 -5.808 1
1 529 . 18 1 1 A 42 42 ARG H H 42 7.990 8.128 -0.138 1
1 530 . 18 1 1 A 42 42 ARG HA H 42 3.970 4.234 -0.264 1
1 537 . 18 1 1 A 42 42 ARG C C 42 176.600 178.101 -1.501 1
1 538 . 18 1 1 A 42 42 ARG CA C 42 58.500 58.335 0.165 1
1 539 . 18 1 1 A 42 42 ARG CB C 42 29.700 29.800 -0.100 1
1 542 . 18 1 1 A 42 42 ARG N N 42 120.900 122.004 -1.104 1
1 543 . 18 1 1 A 43 43 LEU H H 43 8.930 7.609 1.321 1
1 544 . 18 1 1 A 43 43 LEU HA H 43 4.060 4.062 -0.002 1
1 554 . 18 1 1 A 43 43 LEU C C 43 176.200 177.027 -0.827 1
1 555 . 18 1 1 A 43 43 LEU CA C 43 56.100 56.328 -0.228 1
1 556 . 18 1 1 A 43 43 LEU CB C 43 40.100 42.743 -2.643 1
1 560 . 18 1 1 A 43 43 LEU N N 43 119.500 119.062 0.438 1
1 561 . 18 1 1 A 44 44 GLY H H 44 7.890 7.594 0.296 1
1 562 . 18 1 1 A 44 44 GLY HA2 H 44 3.930 3.995 -0.065 1
1 563 . 18 1 1 A 44 44 GLY HA3 H 44 4.540 3.996 0.544 1
1 564 . 18 1 1 A 44 44 GLY CA C 44 44.900 45.644 -0.744 1
1 565 . 18 1 1 A 44 44 GLY N N 44 107.000 106.118 0.882 1
1 566 . 18 1 1 A 45 45 PRO HA H 45 4.360 4.325 0.035 1
1 573 . 18 1 1 A 45 45 PRO C C 45 176.900 177.858 -0.958 1
1 574 . 18 1 1 A 45 45 PRO CA C 45 64.400 65.201 -0.801 1
1 575 . 18 1 1 A 45 45 PRO CB C 45 31.900 31.413 0.487 1
1 578 . 18 1 1 A 46 46 LEU H H 46 8.660 7.918 0.742 1
1 579 . 18 1 1 A 46 46 LEU HA H 46 3.970 4.251 -0.281 1
1 589 . 18 1 1 A 46 46 LEU C C 46 176.300 176.789 -0.489 1
1 590 . 18 1 1 A 46 46 LEU CA C 46 55.900 55.440 0.460 1
1 591 . 18 1 1 A 46 46 LEU CB C 46 43.500 41.842 1.658 1
1 595 . 18 1 1 A 46 46 LEU N N 46 117.000 116.369 0.631 1
1 596 . 18 1 1 A 47 47 SER H H 47 7.160 7.952 -0.792 1
1 597 . 18 1 1 A 47 47 SER HA H 47 4.080 4.454 -0.374 1
1 600 . 18 1 1 A 47 47 SER C C 47 176.600 174.482 2.118 1
1 601 . 18 1 1 A 47 47 SER CA C 47 59.100 58.648 0.452 1
1 602 . 18 1 1 A 47 47 SER CB C 47 62.800 63.150 -0.350 1
1 603 . 18 1 1 A 47 47 SER N N 47 110.300 114.805 -4.505 1
1 604 . 18 1 1 A 48 48 ASN H H 48 11.000 9.061 1.939 1
1 605 . 18 1 1 A 48 48 ASN HA H 48 4.090 4.352 -0.262 1
1 610 . 18 1 1 A 48 48 ASN C C 48 174.700 174.626 0.074 1
1 611 . 18 1 1 A 48 48 ASN CA C 48 55.200 54.092 1.108 1
1 612 . 18 1 1 A 48 48 ASN CB C 48 38.300 37.811 0.489 1
1 614 . 18 1 1 A 48 48 ASN N N 48 123.200 119.771 3.429 1
1 616 . 18 1 1 A 49 49 LYS H H 49 7.830 7.713 0.117 1
1 617 . 18 1 1 A 49 49 LYS HA H 49 4.360 4.786 -0.426 1
1 626 . 18 1 1 A 49 49 LYS C C 49 175.100 175.206 -0.106 1
1 627 . 18 1 1 A 49 49 LYS CA C 49 56.100 54.845 1.255 1
1 628 . 18 1 1 A 49 49 LYS CB C 49 33.200 34.506 -1.306 1
1 632 . 18 1 1 A 49 49 LYS N N 49 119.400 118.707 0.693 1
1 633 . 18 1 1 A 50 50 ILE H H 50 8.570 8.663 -0.093 1
1 634 . 18 1 1 A 50 50 ILE HA H 50 4.160 4.470 -0.310 1
1 644 . 18 1 1 A 50 50 ILE C C 50 175.000 175.901 -0.901 1
1 645 . 18 1 1 A 50 50 ILE CA C 50 61.200 61.541 -0.341 1
1 646 . 18 1 1 A 50 50 ILE CB C 50 36.900 37.749 -0.849 1
1 650 . 18 1 1 A 50 50 ILE N N 50 123.000 128.327 -5.327 1
1 651 . 18 1 1 A 51 51 LEU H H 51 9.270 8.722 0.548 1
1 652 . 18 1 1 A 51 51 LEU HA H 51 5.170 5.360 -0.190 1
1 662 . 18 1 1 A 51 51 LEU C C 51 176.300 175.324 0.976 1
1 663 . 18 1 1 A 51 51 LEU CA C 51 52.500 52.955 -0.455 1
1 664 . 18 1 1 A 51 51 LEU CB C 51 42.600 46.142 -3.542 1
1 668 . 18 1 1 A 51 51 LEU N N 51 127.000 124.200 2.800 1
1 669 . 18 1 1 A 52 52 GLN H H 52 9.110 8.354 0.756 1
1 670 . 18 1 1 A 52 52 GLN HA H 52 4.590 4.611 -0.021 1
1 677 . 18 1 1 A 52 52 GLN C C 52 175.000 174.799 0.201 1
1 678 . 18 1 1 A 52 52 GLN CA C 52 56.800 55.618 1.182 1
1 679 . 18 1 1 A 52 52 GLN CB C 52 29.200 29.293 -0.093 1
1 682 . 18 1 1 A 52 52 GLN N N 52 122.700 121.473 1.227 1
1 684 . 18 1 1 A 53 53 THR H H 53 9.110 8.798 0.312 1
1 685 . 18 1 1 A 53 53 THR HA H 53 4.730 4.929 -0.199 1
1 690 . 18 1 1 A 53 53 THR C C 53 172.500 172.769 -0.269 1
1 691 . 18 1 1 A 53 53 THR CA C 53 60.500 62.103 -1.603 1
1 692 . 18 1 1 A 53 53 THR CB C 53 69.800 69.745 0.055 1
1 694 . 18 1 1 A 53 53 THR N N 53 121.500 123.235 -1.735 1
1 695 . 18 1 1 A 54 54 ASN H H 54 8.210 9.137 -0.927 1
1 696 . 18 1 1 A 54 54 ASN HA H 54 5.400 5.328 0.072 1
1 701 . 18 1 1 A 54 54 ASN C C 54 172.900 173.833 -0.933 1
1 702 . 18 1 1 A 54 54 ASN CA C 54 52.400 51.708 0.692 1
1 703 . 18 1 1 A 54 54 ASN CB C 54 40.900 39.688 1.212 1
1 705 . 18 1 1 A 54 54 ASN N N 54 125.400 126.588 -1.188 1
1 707 . 18 1 1 A 55 55 THR H H 55 8.510 8.694 -0.184 1
1 708 . 18 1 1 A 55 55 THR HA H 55 5.120 4.922 0.198 1
1 713 . 18 1 1 A 55 55 THR C C 55 172.800 173.459 -0.659 1
1 714 . 18 1 1 A 55 55 THR CA C 55 61.400 62.218 -0.818 1
1 715 . 18 1 1 A 55 55 THR CB C 55 69.700 70.234 -0.534 1
1 717 . 18 1 1 A 55 55 THR N N 55 119.300 120.766 -1.466 1
1 718 . 18 1 1 A 56 56 TYR H H 56 8.460 9.241 -0.781 1
1 719 . 18 1 1 A 56 56 TYR HA H 56 5.260 5.657 -0.397 1
1 726 . 18 1 1 A 56 56 TYR C C 56 173.400 175.224 -1.824 1
1 727 . 18 1 1 A 56 56 TYR CA C 56 57.500 56.362 1.138 1
1 728 . 18 1 1 A 56 56 TYR CB C 56 41.400 41.144 0.256 1
1 733 . 18 1 1 A 56 56 TYR N N 56 125.400 126.181 -0.781 1
1 734 . 18 1 1 A 57 57 TYR H H 57 8.450 8.433 0.017 1
1 735 . 18 1 1 A 57 57 TYR HA H 57 4.530 5.412 -0.882 1
1 742 . 18 1 1 A 57 57 TYR C C 57 172.400 173.252 -0.852 1
1 743 . 18 1 1 A 57 57 TYR CA C 57 56.600 56.129 0.471 1
1 744 . 18 1 1 A 57 57 TYR CB C 57 41.700 41.633 0.067 1
1 749 . 18 1 1 A 57 57 TYR N N 57 113.900 119.813 -5.913 1
1 750 . 18 1 1 A 58 58 SER H H 58 7.100 8.430 -1.330 1
1 751 . 18 1 1 A 58 58 SER HA H 58 4.750 4.943 -0.193 1
1 754 . 18 1 1 A 58 58 SER C C 58 173.800 174.812 -1.012 1
1 755 . 18 1 1 A 58 58 SER CA C 58 56.600 56.206 0.394 1
1 756 . 18 1 1 A 58 58 SER CB C 58 65.600 66.453 -0.853 1
1 757 . 18 1 1 A 58 58 SER N N 58 114.200 115.179 -0.979 1
1 758 . 18 1 1 A 59 59 ASP H H 59 9.140 9.031 0.109 1
1 759 . 18 1 1 A 59 59 ASP HA H 59 4.550 4.333 0.217 1
1 762 . 18 1 1 A 59 59 ASP C C 59 179.000 178.372 0.628 1
1 763 . 18 1 1 A 59 59 ASP CA C 59 58.500 57.839 0.661 1
1 764 . 18 1 1 A 59 59 ASP CB C 59 40.400 40.268 0.132 1
1 765 . 18 1 1 A 59 59 ASP N N 59 121.800 120.740 1.060 1
1 766 . 18 1 1 A 60 60 THR H H 60 9.060 8.030 1.030 1
1 767 . 18 1 1 A 60 60 THR HA H 60 4.000 3.951 0.049 1
1 772 . 18 1 1 A 60 60 THR C C 60 178.000 176.298 1.702 1
1 773 . 18 1 1 A 60 60 THR CA C 60 67.300 67.344 -0.044 1
1 774 . 18 1 1 A 60 60 THR CB C 60 67.300 68.233 -0.933 1
1 776 . 18 1 1 A 60 60 THR N N 60 114.800 116.829 -2.029 1
1 777 . 18 1 1 A 61 61 LEU H H 61 7.950 7.678 0.272 1
1 778 . 18 1 1 A 61 61 LEU HA H 61 3.610 3.606 0.004 1
1 788 . 18 1 1 A 61 61 LEU C C 61 178.900 178.869 0.031 1
1 789 . 18 1 1 A 61 61 LEU CA C 61 58.600 57.544 1.056 1
1 790 . 18 1 1 A 61 61 LEU CB C 61 39.500 41.389 -1.889 1
1 794 . 18 1 1 A 61 61 LEU N N 61 126.100 120.555 5.545 1
1 795 . 18 1 1 A 62 62 HIS H H 62 8.260 8.534 -0.274 1
1 796 . 18 1 1 A 62 62 HIS HA H 62 4.470 3.773 0.697 1
1 800 . 18 1 1 A 62 62 HIS C C 62 178.900 176.591 2.309 1
1 801 . 18 1 1 A 62 62 HIS CA C 62 58.600 60.136 -1.536 1
1 802 . 18 1 1 A 62 62 HIS CB C 62 29.500 29.893 -0.393 1
1 804 . 18 1 1 A 62 62 HIS N N 62 116.000 117.743 -1.743 1
1 805 . 18 1 1 A 63 63 LYS H H 63 7.790 8.303 -0.513 1
1 806 . 18 1 1 A 63 63 LYS HA H 63 3.960 3.929 0.031 1
1 815 . 18 1 1 A 63 63 LYS C C 63 177.900 178.625 -0.725 1
1 816 . 18 1 1 A 63 63 LYS CA C 63 59.200 59.473 -0.273 1
1 817 . 18 1 1 A 63 63 LYS CB C 63 32.400 32.233 0.167 1
1 821 . 18 1 1 A 63 63 LYS N N 63 119.100 119.922 -0.822 1
1 822 . 18 1 1 A 64 64 SER H H 64 7.580 7.955 -0.375 1
1 823 . 18 1 1 A 64 64 SER HA H 64 4.260 4.407 -0.147 1
1 826 . 18 1 1 A 64 64 SER C C 64 172.100 172.891 -0.791 1
1 827 . 18 1 1 A 64 64 SER CA C 64 59.300 58.216 1.084 1
1 828 . 18 1 1 A 64 64 SER CB C 64 63.600 63.198 0.402 1
1 829 . 18 1 1 A 64 64 SER N N 64 112.470 113.577 -1.107 1
1 830 . 18 1 1 A 65 65 ASN H H 65 7.760 7.694 0.066 1
1 831 . 18 1 1 A 65 65 ASN HA H 65 3.870 4.187 -0.317 1
1 836 . 18 1 1 A 65 65 ASN C C 65 171.100 173.736 -2.636 1
1 837 . 18 1 1 A 65 65 ASN CA C 65 54.300 54.471 -0.171 1
1 838 . 18 1 1 A 65 65 ASN CB C 65 37.500 36.624 0.876 1
1 840 . 18 1 1 A 65 65 ASN N N 65 117.600 116.326 1.274 1
1 842 . 18 1 1 A 66 66 ILE H H 66 6.820 7.571 -0.751 1
1 843 . 18 1 1 A 66 66 ILE HA H 66 4.590 4.742 -0.152 1
1 853 . 18 1 1 A 66 66 ILE C C 66 174.000 174.119 -0.119 1
1 854 . 18 1 1 A 66 66 ILE CA C 66 58.200 59.892 -1.692 1
1 855 . 18 1 1 A 66 66 ILE CB C 66 40.200 40.238 -0.038 1
1 859 . 18 1 1 A 66 66 ILE N N 66 113.900 118.174 -4.274 1
1 860 . 18 1 1 A 67 67 TYR H H 67 8.530 8.325 0.205 1
1 861 . 18 1 1 A 67 67 TYR HA H 67 5.050 5.330 -0.280 1
1 868 . 18 1 1 A 67 67 TYR CA C 67 54.000 54.885 -0.885 1
1 869 . 18 1 1 A 67 67 TYR CB C 67 39.400 39.072 0.328 1
1 874 . 18 1 1 A 67 67 TYR N N 67 120.200 125.354 -5.154 1
1 875 . 18 1 1 A 68 68 PRO HA H 68 5.120 5.097 0.023 1
1 882 . 18 1 1 A 68 68 PRO C C 68 174.600 176.994 -2.394 1
1 883 . 18 1 1 A 68 68 PRO CA C 68 61.500 62.648 -1.148 1
1 884 . 18 1 1 A 68 68 PRO CB C 68 32.200 32.611 -0.411 1
1 887 . 18 1 1 A 69 69 PHE H H 69 8.870 8.718 0.152 1
1 888 . 18 1 1 A 69 69 PHE HA H 69 6.330 5.559 0.771 1
1 896 . 18 1 1 A 69 69 PHE C C 69 173.000 172.879 0.121 1
1 897 . 18 1 1 A 69 69 PHE CA C 69 56.300 56.018 0.282 1
1 898 . 18 1 1 A 69 69 PHE CB C 69 42.900 42.683 0.217 1
1 903 . 18 1 1 A 69 69 PHE N N 69 118.400 118.888 -0.488 1
1 904 . 18 1 1 A 70 70 ILE H H 70 9.060 9.117 -0.057 1
1 905 . 18 1 1 A 70 70 ILE HA H 70 4.840 4.737 0.103 1
1 915 . 18 1 1 A 70 70 ILE C C 70 175.700 174.638 1.062 1
1 916 . 18 1 1 A 70 70 ILE CA C 70 61.900 60.107 1.793 1
1 917 . 18 1 1 A 70 70 ILE CB C 70 43.000 41.926 1.074 1
1 921 . 18 1 1 A 70 70 ILE N N 70 117.700 121.534 -3.834 1
1 922 . 18 1 1 A 71 71 LEU H H 71 9.320 8.736 0.584 1
1 923 . 18 1 1 A 71 71 LEU HA H 71 5.720 5.131 0.589 1
1 933 . 18 1 1 A 71 71 LEU C C 71 175.600 175.652 -0.052 1
1 934 . 18 1 1 A 71 71 LEU CA C 71 52.400 53.944 -1.544 1
1 935 . 18 1 1 A 71 71 LEU CB C 71 43.700 43.465 0.235 1
1 939 . 18 1 1 A 71 71 LEU N N 71 124.800 126.705 -1.905 1
1 940 . 18 1 1 A 72 72 TYR H H 72 9.250 9.344 -0.094 1
1 941 . 18 1 1 A 72 72 TYR HA H 72 5.350 5.203 0.147 1
1 948 . 18 1 1 A 72 72 TYR C C 72 174.100 174.781 -0.681 1
1 949 . 18 1 1 A 72 72 TYR CA C 72 57.300 56.850 0.450 1
1 950 . 18 1 1 A 72 72 TYR CB C 72 44.500 42.570 1.930 1
1 955 . 18 1 1 A 72 72 TYR N N 72 120.700 122.524 -1.824 1
1 956 . 18 1 1 A 73 73 TYR H H 73 9.250 8.906 0.344 1
1 957 . 18 1 1 A 73 73 TYR HA H 73 5.110 5.052 0.058 1
1 964 . 18 1 1 A 73 73 TYR C C 73 174.500 175.246 -0.746 1
1 965 . 18 1 1 A 73 73 TYR CA C 73 56.500 57.614 -1.114 1
1 966 . 18 1 1 A 73 73 TYR CB C 73 40.400 41.608 -1.208 1
1 971 . 18 1 1 A 73 73 TYR N N 73 120.300 124.549 -4.249 1
1 972 . 18 1 1 A 74 74 GLN H H 74 9.310 8.619 0.691 1
1 973 . 18 1 1 A 74 74 GLN HA H 74 3.530 3.758 -0.228 1
1 980 . 18 1 1 A 74 74 GLN C C 74 175.400 174.916 0.484 1
1 981 . 18 1 1 A 74 74 GLN CA C 74 57.200 58.214 -1.014 1
1 982 . 18 1 1 A 74 74 GLN CB C 74 25.500 27.140 -1.640 1
1 985 . 18 1 1 A 74 74 GLN N N 74 126.000 125.167 0.833 1
1 987 . 18 1 1 A 75 75 LYS H H 75 8.530 8.433 0.097 1
1 988 . 18 1 1 A 75 75 LYS HA H 75 3.820 4.625 -0.805 1
1 997 . 18 1 1 A 75 75 LYS C C 75 175.500 174.562 0.938 1
1 998 . 18 1 1 A 75 75 LYS CA C 75 57.300 55.640 1.660 1
1 999 . 18 1 1 A 75 75 LYS CB C 75 30.900 32.510 -1.610 1
1 1003 . 18 1 1 A 75 75 LYS N N 75 113.600 118.363 -4.763 1
1 1004 . 18 1 1 A 76 76 GLN H H 76 8.550 8.234 0.316 1
1 1005 . 18 1 1 A 76 76 GLN HA H 76 4.470 4.658 -0.188 1
1 1012 . 18 1 1 A 76 76 GLN C C 76 175.400 173.783 1.617 1
1 1013 . 18 1 1 A 76 76 GLN CA C 76 54.700 55.692 -0.992 1
1 1014 . 18 1 1 A 76 76 GLN CB C 76 29.900 33.541 -3.641 1
1 1017 . 18 1 1 A 76 76 GLN N N 76 122.200 123.979 -1.779 1
1 1019 . 18 1 1 A 77 77 LEU H H 77 8.860 8.727 0.133 1
1 1020 . 18 1 1 A 77 77 LEU HA H 77 3.940 4.373 -0.433 1
1 1030 . 18 1 1 A 77 77 LEU C C 77 175.300 176.236 -0.936 1
1 1031 . 18 1 1 A 77 77 LEU CA C 77 56.800 55.698 1.102 1
1 1032 . 18 1 1 A 77 77 LEU CB C 77 41.800 42.652 -0.852 1
1 1036 . 18 1 1 A 77 77 LEU N N 77 128.900 126.661 2.239 1
1 1037 . 18 1 1 A 78 78 ILE H H 78 8.880 8.783 0.097 1
1 1038 . 18 1 1 A 78 78 ILE HA H 78 4.810 4.267 0.543 1
1 1048 . 18 1 1 A 78 78 ILE C C 78 174.600 176.085 -1.485 1
1 1049 . 18 1 1 A 78 78 ILE CA C 78 58.300 62.602 -4.302 1
1 1050 . 18 1 1 A 78 78 ILE CB C 78 38.270 38.623 -0.353 1
1 1054 . 18 1 1 A 78 78 ILE N N 78 126.900 127.354 -0.454 1
1 1055 . 18 1 1 A 79 79 ALA H H 79 7.940 7.464 0.476 1
1 1056 . 18 1 1 A 79 79 ALA HA H 79 5.390 4.947 0.443 1
1 1060 . 18 1 1 A 79 79 ALA C C 79 175.300 175.214 0.086 1
1 1061 . 18 1 1 A 79 79 ALA CA C 79 51.600 51.804 -0.204 1
1 1062 . 18 1 1 A 79 79 ALA CB C 79 24.000 22.519 1.481 1
1 1063 . 18 1 1 A 79 79 ALA N N 79 115.000 118.247 -3.247 1
1 1064 . 18 1 1 A 80 80 ILE H H 80 8.580 8.723 -0.143 1
1 1065 . 18 1 1 A 80 80 ILE HA H 80 4.840 5.007 -0.167 1
1 1075 . 18 1 1 A 80 80 ILE C C 80 175.000 175.839 -0.839 1
1 1076 . 18 1 1 A 80 80 ILE CA C 80 60.300 59.557 0.743 1
1 1077 . 18 1 1 A 80 80 ILE CB C 80 42.800 41.662 1.138 1
1 1081 . 18 1 1 A 80 80 ILE N N 80 117.900 120.278 -2.378 1
1 1082 . 18 1 1 A 81 81 GLY H H 81 8.200 7.101 1.099 1
1 1083 . 18 1 1 A 81 81 GLY HA2 H 81 3.750 3.880 -0.130 1
1 1084 . 18 1 1 A 81 81 GLY HA3 H 81 4.070 4.163 -0.093 1
1 1085 . 18 1 1 A 81 81 GLY C C 81 169.100 171.595 -2.495 1
1 1086 . 18 1 1 A 81 81 GLY CA C 81 46.600 45.592 1.008 1
1 1087 . 18 1 1 A 81 81 GLY N N 81 116.400 111.909 4.491 1
1 1088 . 18 1 1 A 82 82 PHE H H 82 8.210 8.370 -0.160 1
1 1089 . 18 1 1 A 82 82 PHE HA H 82 5.340 5.601 -0.261 1
1 1094 . 18 1 1 A 82 82 PHE C C 82 172.400 172.219 0.181 1
1 1095 . 18 1 1 A 82 82 PHE CA C 82 56.300 55.981 0.319 1
1 1096 . 18 1 1 A 82 82 PHE CB C 82 40.100 41.967 -1.867 1
1 1099 . 18 1 1 A 82 82 PHE N N 82 114.500 113.235 1.265 1
1 1100 . 18 1 1 A 83 83 ILE H H 83 8.490 9.091 -0.601 1
1 1101 . 18 1 1 A 83 83 ILE HA H 83 4.740 4.768 -0.028 1
1 1111 . 18 1 1 A 83 83 ILE C C 83 175.200 174.782 0.418 1
1 1112 . 18 1 1 A 83 83 ILE CA C 83 60.400 60.178 0.222 1
1 1113 . 18 1 1 A 83 83 ILE CB C 83 39.500 39.370 0.130 1
1 1117 . 18 1 1 A 83 83 ILE N N 83 123.400 120.517 2.883 1
1 1118 . 18 1 1 A 84 84 ASP H H 84 8.550 8.276 0.274 1
1 1119 . 18 1 1 A 84 84 ASP HA H 84 5.170 4.965 0.205 1
1 1122 . 18 1 1 A 84 84 ASP C C 84 178.600 176.943 1.657 1
1 1123 . 18 1 1 A 84 84 ASP CA C 84 52.200 52.956 -0.756 1
1 1124 . 18 1 1 A 84 84 ASP CB C 84 42.400 42.769 -0.369 1
1 1125 . 18 1 1 A 84 84 ASP N N 84 126.900 128.374 -1.474 1
1 1126 . 18 1 1 A 85 85 GLU H H 85 9.250 8.955 0.295 1
1 1127 . 18 1 1 A 85 85 GLU HA H 85 4.350 4.013 0.337 1
1 1132 . 18 1 1 A 85 85 GLU C C 85 176.800 177.386 -0.586 1
1 1133 . 18 1 1 A 85 85 GLU CA C 85 58.400 59.204 -0.804 1
1 1134 . 18 1 1 A 85 85 GLU CB C 85 28.700 29.403 -0.703 1
1 1136 . 18 1 1 A 85 85 GLU N N 85 118.000 123.923 -5.923 1
1 1137 . 18 1 1 A 86 86 ASN H H 86 8.280 7.797 0.483 1
1 1138 . 18 1 1 A 86 86 ASN HA H 86 4.760 4.915 -0.155 1
1 1143 . 18 1 1 A 86 86 ASN C C 86 174.600 175.223 -0.623 1
1 1144 . 18 1 1 A 86 86 ASN CA C 86 52.800 52.804 -0.004 1
1 1145 . 18 1 1 A 86 86 ASN CB C 86 38.900 38.533 0.367 1
1 1147 . 18 1 1 A 86 86 ASN N N 86 118.300 115.872 2.428 1
1 1149 . 18 1 1 A 87 87 HIS H H 87 8.570 7.719 0.851 1
1 1150 . 18 1 1 A 87 87 HIS HA H 87 3.940 4.252 -0.312 1
1 1154 . 18 1 1 A 87 87 HIS C C 87 173.600 174.364 -0.764 1
1 1155 . 18 1 1 A 87 87 HIS CA C 87 57.000 58.365 -1.365 1
1 1156 . 18 1 1 A 87 87 HIS CB C 87 26.700 28.352 -1.652 1
1 1158 . 18 1 1 A 87 87 HIS N N 87 114.000 114.605 -0.605 1
1 1159 . 18 1 1 A 88 88 ASP H H 88 8.210 9.085 -0.875 1
1 1160 . 18 1 1 A 88 88 ASP HA H 88 4.840 4.184 0.656 1
1 1163 . 18 1 1 A 88 88 ASP C C 88 174.800 175.606 -0.806 1
1 1164 . 18 1 1 A 88 88 ASP CA C 88 53.900 54.793 -0.893 1
1 1165 . 18 1 1 A 88 88 ASP CB C 88 41.500 39.740 1.760 1
1 1166 . 18 1 1 A 88 88 ASP N N 88 120.300 121.656 -1.356 1
1 1167 . 18 1 1 A 89 89 MET H H 89 8.550 8.101 0.449 1
1 1168 . 18 1 1 A 89 89 MET HA H 89 4.450 4.325 0.125 1
1 1176 . 18 1 1 A 89 89 MET C C 89 173.400 175.607 -2.207 1
1 1177 . 18 1 1 A 89 89 MET CA C 89 55.800 55.026 0.774 1
1 1178 . 18 1 1 A 89 89 MET CB C 89 34.700 32.903 1.797 1
1 1181 . 18 1 1 A 89 89 MET N N 89 120.400 120.125 0.275 1
1 1182 . 18 1 1 A 90 90 ASP H H 90 8.420 8.136 0.284 1
1 1183 . 18 1 1 A 90 90 ASP HA H 90 4.580 5.061 -0.481 1
1 1186 . 18 1 1 A 90 90 ASP C C 90 174.600 174.814 -0.214 1
1 1187 . 18 1 1 A 90 90 ASP CA C 90 52.300 52.467 -0.167 1
1 1188 . 18 1 1 A 90 90 ASP CB C 90 41.800 42.315 -0.515 1
1 1189 . 18 1 1 A 90 90 ASP N N 90 126.900 123.386 3.514 1
1 1190 . 18 1 1 A 91 91 PHE H H 91 8.350 8.953 -0.603 1
1 1191 . 18 1 1 A 91 91 PHE HA H 91 4.780 4.940 -0.160 1
1 1199 . 18 1 1 A 91 91 PHE C C 91 175.600 175.808 -0.208 1
1 1200 . 18 1 1 A 91 91 PHE CA C 91 58.200 56.722 1.478 1
1 1201 . 18 1 1 A 91 91 PHE CB C 91 41.400 40.330 1.070 1
1 1207 . 18 1 1 A 91 91 PHE N N 91 118.600 123.089 -4.489 1
1 1208 . 18 1 1 A 92 92 LEU H H 92 9.060 9.110 -0.050 1
1 1209 . 18 1 1 A 92 92 LEU HA H 92 4.330 4.490 -0.160 1
1 1219 . 18 1 1 A 92 92 LEU C C 92 175.700 175.581 0.119 1
1 1220 . 18 1 1 A 92 92 LEU CA C 92 55.200 56.482 -1.282 1
1 1221 . 18 1 1 A 92 92 LEU CB C 92 43.500 44.222 -0.722 1
1 1225 . 18 1 1 A 92 92 LEU N N 92 121.100 126.723 -5.623 1
1 1226 . 18 1 1 A 93 93 TYR H H 93 7.970 7.293 0.677 1
1 1227 . 18 1 1 A 93 93 TYR HA H 93 4.780 4.852 -0.072 1
1 1234 . 18 1 1 A 93 93 TYR C C 93 172.800 173.041 -0.241 1
1 1235 . 18 1 1 A 93 93 TYR CA C 93 57.600 57.945 -0.345 1
1 1236 . 18 1 1 A 93 93 TYR CB C 93 42.500 41.291 1.209 1
1 1241 . 18 1 1 A 93 93 TYR N N 93 118.600 118.116 0.484 1
1 1242 . 18 1 1 A 94 94 LEU H H 94 8.220 8.661 -0.441 1
1 1243 . 18 1 1 A 94 94 LEU HA H 94 5.060 5.083 -0.023 1
1 1253 . 18 1 1 A 94 94 LEU C C 94 171.900 174.459 -2.559 1
1 1254 . 18 1 1 A 94 94 LEU CA C 94 55.100 53.285 1.815 1
1 1255 . 18 1 1 A 94 94 LEU CB C 94 44.800 44.946 -0.146 1
1 1259 . 18 1 1 A 94 94 LEU N N 94 128.600 130.399 -1.799 1
1 1260 . 18 1 1 A 95 95 HIS H H 95 9.720 9.203 0.517 1
1 1261 . 18 1 1 A 95 95 HIS HA H 95 4.570 5.124 -0.554 1
1 1266 . 18 1 1 A 95 95 HIS C C 95 173.100 173.005 0.095 1
1 1267 . 18 1 1 A 95 95 HIS CA C 95 55.500 53.836 1.664 1
1 1268 . 18 1 1 A 95 95 HIS CB C 95 35.900 33.016 2.884 1
1 1271 . 18 1 1 A 95 95 HIS N N 95 133.000 126.283 6.717 1
1 1272 . 18 1 1 A 96 96 ASN H H 96 7.670 8.583 -0.913 1
1 1273 . 18 1 1 A 96 96 ASN HA H 96 4.930 4.940 -0.010 1
1 1278 . 18 1 1 A 96 96 ASN C C 96 176.100 176.364 -0.264 1
1 1279 . 18 1 1 A 96 96 ASN CA C 96 51.000 52.769 -1.769 1
1 1280 . 18 1 1 A 96 96 ASN CB C 96 38.500 39.890 -1.390 1
1 1281 . 18 1 1 A 96 96 ASN N N 96 118.600 126.912 -8.312 1
1 1283 . 18 1 1 A 97 97 THR H H 97 10.580 8.951 1.629 1
1 1284 . 18 1 1 A 97 97 THR HA H 97 4.090 4.043 0.047 1
1 1289 . 18 1 1 A 97 97 THR C C 97 174.600 175.716 -1.116 1
1 1290 . 18 1 1 A 97 97 THR CA C 97 67.000 65.956 1.044 1
1 1291 . 18 1 1 A 97 97 THR CB C 97 68.300 68.279 0.021 1
1 1293 . 18 1 1 A 97 97 THR N N 97 116.300 120.370 -4.070 1
1 1294 . 18 1 1 A 98 98 VAL H H 98 8.440 7.684 0.756 1
1 1295 . 18 1 1 A 98 98 VAL HA H 98 4.180 3.987 0.193 1
1 1303 . 18 1 1 A 98 98 VAL C C 98 174.800 176.322 -1.522 1
1 1304 . 18 1 1 A 98 98 VAL CA C 98 64.400 64.112 0.288 1
1 1305 . 18 1 1 A 98 98 VAL CB C 98 33.100 32.710 0.390 1
1 1308 . 18 1 1 A 98 98 VAL N N 98 123.900 120.177 3.723 1
1 1309 . 18 1 1 A 99 99 MET H H 99 8.590 7.632 0.958 1
1 1310 . 18 1 1 A 99 99 MET HA H 99 4.720 4.727 -0.007 1
1 1318 . 18 1 1 A 99 99 MET CA C 99 52.400 53.706 -1.306 1
1 1319 . 18 1 1 A 99 99 MET CB C 99 34.100 35.530 -1.430 1
1 1322 . 18 1 1 A 99 99 MET N N 99 118.700 114.791 3.909 1
1 1323 . 18 1 1 A 100 100 PRO HA H 100 4.210 4.281 -0.071 1
1 1330 . 18 1 1 A 100 100 PRO C C 100 175.900 177.347 -1.447 1
1 1331 . 18 1 1 A 100 100 PRO CA C 100 62.100 62.960 -0.860 1
1 1332 . 18 1 1 A 100 100 PRO CB C 100 31.000 32.083 -1.083 1
1 1335 . 18 1 1 A 101 101 LEU H H 101 9.010 8.706 0.304 1
1 1336 . 18 1 1 A 101 101 LEU HA H 101 4.310 4.309 0.001 1
1 1346 . 18 1 1 A 101 101 LEU C C 101 176.900 176.427 0.473 1
1 1347 . 18 1 1 A 101 101 LEU CA C 101 55.000 55.592 -0.592 1
1 1348 . 18 1 1 A 101 101 LEU CB C 101 42.800 43.014 -0.214 1
1 1352 . 18 1 1 A 101 101 LEU N N 101 124.000 120.577 3.423 1
1 1353 . 18 1 1 A 102 102 LEU H H 102 7.620 7.430 0.190 1
1 1354 . 18 1 1 A 102 102 LEU HA H 102 4.360 4.569 -0.209 1
1 1364 . 18 1 1 A 102 102 LEU C C 102 174.800 174.139 0.661 1
1 1365 . 18 1 1 A 102 102 LEU CA C 102 54.900 53.688 1.212 1
1 1366 . 18 1 1 A 102 102 LEU CB C 102 45.300 44.896 0.404 1
1 1370 . 18 1 1 A 102 102 LEU N N 102 119.000 115.350 3.650 1
1 1371 . 18 1 1 A 103 103 ASP H H 103 9.120 8.842 0.278 1
1 1372 . 18 1 1 A 103 103 ASP HA H 103 5.100 5.161 -0.061 1
1 1375 . 18 1 1 A 103 103 ASP C C 103 174.500 174.615 -0.115 1
1 1376 . 18 1 1 A 103 103 ASP CA C 103 54.900 53.345 1.555 1
1 1377 . 18 1 1 A 103 103 ASP CB C 103 41.000 42.464 -1.464 1
1 1378 . 18 1 1 A 103 103 ASP N N 103 120.700 121.638 -0.938 1
1 1379 . 18 1 1 A 104 104 GLN H H 104 8.990 8.851 0.139 1
1 1380 . 18 1 1 A 104 104 GLN HA H 104 4.710 4.758 -0.048 1
1 1387 . 18 1 1 A 104 104 GLN C C 104 176.100 176.075 0.025 1
1 1388 . 18 1 1 A 104 104 GLN CA C 104 54.100 55.163 -1.063 1
1 1389 . 18 1 1 A 104 104 GLN CB C 104 28.500 30.097 -1.597 1
1 1392 . 18 1 1 A 104 104 GLN N N 104 125.400 124.234 1.166 1
1 1394 . 18 1 1 A 105 105 ARG H H 105 8.380 8.947 -0.567 1
1 1395 . 18 1 1 A 105 105 ARG HA H 105 3.510 3.929 -0.419 1
1 1402 . 18 1 1 A 105 105 ARG C C 105 177.500 178.019 -0.519 1
1 1403 . 18 1 1 A 105 105 ARG CA C 105 60.200 59.701 0.499 1
1 1404 . 18 1 1 A 105 105 ARG CB C 105 29.400 29.576 -0.176 1
1 1407 . 18 1 1 A 105 105 ARG N N 105 117.700 125.981 -8.281 1
1 1408 . 18 1 1 A 106 106 TYR H H 106 7.800 8.110 -0.310 1
1 1409 . 18 1 1 A 106 106 TYR HA H 106 4.360 4.429 -0.069 1
1 1416 . 18 1 1 A 106 106 TYR C C 106 176.800 178.266 -1.466 1
1 1417 . 18 1 1 A 106 106 TYR CA C 106 58.600 60.405 -1.805 1
1 1418 . 18 1 1 A 106 106 TYR CB C 106 36.000 38.308 -2.308 1
1 1423 . 18 1 1 A 106 106 TYR N N 106 118.100 119.444 -1.344 1
1 1424 . 18 1 1 A 107 107 LEU H H 107 7.170 8.177 -1.007 1
1 1425 . 18 1 1 A 107 107 LEU HA H 107 3.970 4.198 -0.228 1
1 1435 . 18 1 1 A 107 107 LEU C C 107 178.300 178.168 0.132 1
1 1436 . 18 1 1 A 107 107 LEU CA C 107 56.600 58.120 -1.520 1
1 1437 . 18 1 1 A 107 107 LEU CB C 107 41.800 41.635 0.165 1
1 1441 . 18 1 1 A 107 107 LEU N N 107 121.900 121.169 0.731 1
1 1442 . 18 1 1 A 108 108 LEU H H 108 7.680 7.628 0.052 1
1 1443 . 18 1 1 A 108 108 LEU HA H 108 4.070 3.736 0.334 1
1 1453 . 18 1 1 A 108 108 LEU C C 108 177.500 178.082 -0.582 1
1 1454 . 18 1 1 A 108 108 LEU CA C 108 55.400 58.210 -2.810 1
1 1455 . 18 1 1 A 108 108 LEU CB C 108 41.500 41.740 -0.240 1
1 1459 . 18 1 1 A 108 108 LEU N N 108 115.400 120.021 -4.621 1
1 1460 . 18 1 1 A 109 109 THR H H 109 7.510 7.756 -0.246 1
1 1461 . 18 1 1 A 109 109 THR HA H 109 4.310 4.560 -0.250 1
1 1466 . 18 1 1 A 109 109 THR C C 109 175.300 174.737 0.563 1
1 1467 . 18 1 1 A 109 109 THR CA C 109 61.600 62.450 -0.850 1
1 1468 . 18 1 1 A 109 109 THR CB C 109 69.500 69.357 0.143 1
1 1470 . 18 1 1 A 109 109 THR N N 109 108.800 112.705 -3.905 1
1 1471 . 18 1 1 A 110 110 GLY H H 110 8.010 8.116 -0.106 1
1 1472 . 18 1 1 A 110 110 GLY HA2 H 110 3.950 4.060 -0.110 1
1 1473 . 18 1 1 A 110 110 GLY HA3 H 110 4.030 4.067 -0.037 1
1 1474 . 18 1 1 A 110 110 GLY C C 110 174.500 175.225 -0.725 1
1 1475 . 18 1 1 A 110 110 GLY CA C 110 45.400 47.131 -1.731 1
1 1476 . 18 1 1 A 110 110 GLY N N 110 110.100 111.186 -1.086 1
1 1477 . 18 1 1 A 111 111 GLY H H 111 8.310 7.964 0.346 1
1 1478 . 18 1 1 A 111 111 GLY HA2 H 111 3.930 4.021 -0.091 1
1 1479 . 18 1 1 A 111 111 GLY HA3 H 111 3.930 4.062 -0.132 1
1 1480 . 18 1 1 A 111 111 GLY C C 111 173.700 174.025 -0.325 1
1 1481 . 18 1 1 A 111 111 GLY CA C 111 45.400 45.668 -0.268 1
1 1482 . 18 1 1 A 111 111 GLY N N 111 108.300 108.852 -0.552 1
1 1483 . 18 1 1 A 112 112 GLN H H 112 8.280 8.288 -0.008 1
1 1484 . 18 1 1 A 112 112 GLN HA H 112 4.270 4.558 -0.288 1
1 1491 . 18 1 1 A 112 112 GLN C C 112 175.700 175.334 0.366 1
1 1492 . 18 1 1 A 112 112 GLN CA C 112 55.600 53.837 1.763 1
1 1493 . 18 1 1 A 112 112 GLN CB C 112 29.200 29.469 -0.269 1
1 1496 . 18 1 1 A 112 112 GLN N N 112 119.200 120.136 -0.936 1
1 1498 . 18 1 1 A 113 113 LEU H H 113 8.260 8.137 0.123 1
1 1499 . 18 1 1 A 113 113 LEU HA H 113 4.180 4.516 -0.336 1
1 1509 . 18 1 1 A 113 113 LEU C C 113 177.000 177.336 -0.336 1
1 1510 . 18 1 1 A 113 113 LEU CA C 113 55.100 54.853 0.247 1
1 1511 . 18 1 1 A 113 113 LEU CB C 113 42.100 43.042 -0.942 1
1 1515 . 18 1 1 A 113 113 LEU N N 113 122.800 121.341 1.459 1
1 1516 . 18 1 1 A 114 114 GLU H H 114 8.290 8.418 -0.128 1
1 1517 . 18 1 1 A 114 114 GLU HA H 114 4.140 4.234 -0.094 1
1 1522 . 18 1 1 A 114 114 GLU CA C 114 56.300 56.600 -0.300 1
1 1523 . 18 1 1 A 114 114 GLU CB C 114 30.200 29.316 0.884 1
1 1 . 19 1 1 A 2 2 THR HA H 2 4.300 4.916 -0.616 1
1 6 . 19 1 1 A 2 2 THR C C 2 174.800 175.243 -0.443 1
1 7 . 19 1 1 A 2 2 THR CA C 2 61.100 60.616 0.484 1
1 8 . 19 1 1 A 2 2 THR CB C 2 70.400 70.109 0.291 1
1 10 . 19 1 1 A 3 3 LEU H H 3 8.760 8.657 0.103 1
1 11 . 19 1 1 A 3 3 LEU HA H 3 4.110 3.842 0.268 1
1 21 . 19 1 1 A 3 3 LEU C C 3 178.300 178.124 0.176 1
1 22 . 19 1 1 A 3 3 LEU CA C 3 57.800 58.309 -0.509 1
1 23 . 19 1 1 A 3 3 LEU CB C 3 41.600 41.531 0.069 1
1 27 . 19 1 1 A 3 3 LEU N N 3 123.600 124.118 -0.518 1
1 28 . 19 1 1 A 4 4 GLU H H 4 8.740 8.260 0.480 1
1 29 . 19 1 1 A 4 4 GLU HA H 4 3.670 3.950 -0.280 1
1 34 . 19 1 1 A 4 4 GLU C C 4 177.900 179.368 -1.468 1
1 35 . 19 1 1 A 4 4 GLU CA C 4 60.000 59.393 0.607 1
1 36 . 19 1 1 A 4 4 GLU CB C 4 29.200 29.330 -0.130 1
1 38 . 19 1 1 A 4 4 GLU N N 4 116.500 119.510 -3.010 1
1 39 . 19 1 1 A 5 5 LEU H H 5 7.340 8.320 -0.980 1
1 40 . 19 1 1 A 5 5 LEU HA H 5 3.900 3.925 -0.025 1
1 50 . 19 1 1 A 5 5 LEU C C 5 178.900 179.327 -0.427 1
1 51 . 19 1 1 A 5 5 LEU CA C 5 56.900 58.025 -1.125 1
1 52 . 19 1 1 A 5 5 LEU CB C 5 41.200 40.974 0.226 1
1 56 . 19 1 1 A 5 5 LEU N N 5 120.500 120.038 0.462 1
1 57 . 19 1 1 A 6 6 GLN H H 6 8.350 7.773 0.577 1
1 58 . 19 1 1 A 6 6 GLN HA H 6 3.970 4.157 -0.187 1
1 63 . 19 1 1 A 6 6 GLN C C 6 179.700 178.629 1.071 1
1 64 . 19 1 1 A 6 6 GLN CA C 6 59.100 58.563 0.537 1
1 65 . 19 1 1 A 6 6 GLN CB C 6 29.100 28.213 0.887 1
1 67 . 19 1 1 A 6 6 GLN N N 6 120.800 118.350 2.450 1
1 68 . 19 1 1 A 7 7 LEU H H 7 8.620 8.507 0.113 1
1 69 . 19 1 1 A 7 7 LEU HA H 7 4.010 4.153 -0.143 1
1 79 . 19 1 1 A 7 7 LEU C C 7 176.900 178.763 -1.863 1
1 80 . 19 1 1 A 7 7 LEU CA C 7 57.800 57.898 -0.098 1
1 81 . 19 1 1 A 7 7 LEU CB C 7 41.700 41.741 -0.041 1
1 85 . 19 1 1 A 7 7 LEU N N 7 121.000 121.196 -0.196 1
1 86 . 19 1 1 A 8 8 LYS H H 8 7.750 7.804 -0.054 1
1 87 . 19 1 1 A 8 8 LYS HA H 8 3.570 3.990 -0.420 1
1 96 . 19 1 1 A 8 8 LYS C C 8 179.400 178.799 0.601 1
1 97 . 19 1 1 A 8 8 LYS CA C 8 59.000 58.795 0.205 1
1 98 . 19 1 1 A 8 8 LYS CB C 8 32.400 32.010 0.390 1
1 102 . 19 1 1 A 8 8 LYS N N 8 119.700 118.830 0.870 1
1 103 . 19 1 1 A 9 9 HIS H H 9 8.520 8.408 0.112 1
1 104 . 19 1 1 A 9 9 HIS HA H 9 4.050 4.506 -0.456 1
1 107 . 19 1 1 A 9 9 HIS C C 9 176.500 176.702 -0.202 1
1 108 . 19 1 1 A 9 9 HIS CA C 9 59.400 59.166 0.234 1
1 109 . 19 1 1 A 9 9 HIS CB C 9 29.900 30.071 -0.171 1
1 110 . 19 1 1 A 9 9 HIS N N 9 120.500 120.022 0.478 1
1 111 . 19 1 1 A 10 10 TYR H H 10 7.990 8.476 -0.486 1
1 112 . 19 1 1 A 10 10 TYR HA H 10 4.160 4.293 -0.133 1
1 119 . 19 1 1 A 10 10 TYR C C 10 177.400 176.837 0.563 1
1 120 . 19 1 1 A 10 10 TYR CA C 10 61.800 61.396 0.404 1
1 121 . 19 1 1 A 10 10 TYR CB C 10 39.500 38.643 0.857 1
1 126 . 19 1 1 A 10 10 TYR N N 10 119.200 120.264 -1.064 1
1 127 . 19 1 1 A 11 11 ILE H H 11 8.710 8.205 0.505 1
1 128 . 19 1 1 A 11 11 ILE HA H 11 3.540 3.437 0.103 1
1 138 . 19 1 1 A 11 11 ILE CA C 11 61.600 64.207 -2.607 1
1 139 . 19 1 1 A 11 11 ILE CB C 11 36.200 37.758 -1.558 1
1 143 . 19 1 1 A 11 11 ILE N N 11 118.900 120.616 -1.716 1
1 144 . 19 1 1 A 12 12 THR HA H 12 3.840 4.078 -0.238 1
1 149 . 19 1 1 A 12 12 THR C C 12 176.900 176.385 0.515 1
1 150 . 19 1 1 A 12 12 THR CA C 12 66.400 65.722 0.678 1
1 151 . 19 1 1 A 12 12 THR CB C 12 68.300 68.162 0.138 1
1 153 . 19 1 1 A 13 13 ASN H H 13 7.440 8.255 -0.815 1
1 154 . 19 1 1 A 13 13 ASN HA H 13 4.420 4.356 0.064 1
1 159 . 19 1 1 A 13 13 ASN C C 13 176.700 177.662 -0.962 1
1 160 . 19 1 1 A 13 13 ASN CA C 13 55.900 55.490 0.410 1
1 161 . 19 1 1 A 13 13 ASN CB C 13 38.600 36.804 1.796 1
1 163 . 19 1 1 A 13 13 ASN N N 13 118.300 119.375 -1.075 1
1 165 . 19 1 1 A 14 14 LEU H H 14 7.890 7.271 0.619 1
1 166 . 19 1 1 A 14 14 LEU HA H 14 3.660 3.639 0.021 1
1 176 . 19 1 1 A 14 14 LEU C C 14 177.900 177.554 0.346 1
1 177 . 19 1 1 A 14 14 LEU CA C 14 57.600 57.605 -0.005 1
1 178 . 19 1 1 A 14 14 LEU CB C 14 42.600 41.203 1.397 1
1 182 . 19 1 1 A 14 14 LEU N N 14 122.100 123.201 -1.101 1
1 183 . 19 1 1 A 15 15 PHE H H 15 7.670 7.499 0.171 1
1 184 . 19 1 1 A 15 15 PHE HA H 15 4.490 4.536 -0.046 1
1 191 . 19 1 1 A 15 15 PHE C C 15 173.800 174.361 -0.561 1
1 192 . 19 1 1 A 15 15 PHE CA C 15 57.900 57.171 0.729 1
1 193 . 19 1 1 A 15 15 PHE CB C 15 38.900 38.908 -0.008 1
1 198 . 19 1 1 A 15 15 PHE N N 15 111.800 113.632 -1.832 1
1 199 . 19 1 1 A 16 16 ASN H H 16 7.450 8.146 -0.696 1
1 200 . 19 1 1 A 16 16 ASN HA H 16 4.420 4.192 0.228 1
1 205 . 19 1 1 A 16 16 ASN C C 16 174.200 174.402 -0.202 1
1 206 . 19 1 1 A 16 16 ASN CA C 16 54.100 54.378 -0.278 1
1 207 . 19 1 1 A 16 16 ASN CB C 16 36.500 36.786 -0.286 1
1 209 . 19 1 1 A 16 16 ASN N N 16 118.500 113.983 4.517 1
1 211 . 19 1 1 A 17 17 LEU H H 17 8.410 7.854 0.556 1
1 212 . 19 1 1 A 17 17 LEU HA H 17 4.630 4.431 0.199 1
1 222 . 19 1 1 A 17 17 LEU CA C 17 52.300 53.391 -1.091 1
1 223 . 19 1 1 A 17 17 LEU CB C 17 41.000 41.265 -0.265 1
1 227 . 19 1 1 A 17 17 LEU N N 17 118.700 119.705 -1.005 1
1 228 . 19 1 1 A 18 18 PRO HA H 18 4.380 4.526 -0.146 1
1 235 . 19 1 1 A 18 18 PRO C C 18 178.600 177.346 1.254 1
1 236 . 19 1 1 A 18 18 PRO CA C 18 63.100 63.433 -0.333 1
1 237 . 19 1 1 A 18 18 PRO CB C 18 31.800 32.379 -0.579 1
1 240 . 19 1 1 A 19 19 ARG H H 19 8.650 8.784 -0.134 1
1 241 . 19 1 1 A 19 19 ARG HA H 19 3.820 4.281 -0.461 1
1 248 . 19 1 1 A 19 19 ARG C C 19 176.500 176.998 -0.498 1
1 249 . 19 1 1 A 19 19 ARG CA C 19 58.100 57.550 0.550 1
1 250 . 19 1 1 A 19 19 ARG CB C 19 30.300 30.813 -0.513 1
1 253 . 19 1 1 A 19 19 ARG N N 19 124.600 122.493 2.107 1
1 254 . 19 1 1 A 20 20 ASP H H 20 8.390 7.903 0.487 1
1 255 . 19 1 1 A 20 20 ASP HA H 20 4.550 4.651 -0.101 1
1 258 . 19 1 1 A 20 20 ASP C C 20 175.700 175.977 -0.277 1
1 259 . 19 1 1 A 20 20 ASP CA C 20 53.000 54.201 -1.201 1
1 260 . 19 1 1 A 20 20 ASP CB C 20 40.400 41.177 -0.777 1
1 261 . 19 1 1 A 20 20 ASP N N 20 114.300 119.023 -4.723 1
1 262 . 19 1 1 A 21 21 GLU H H 21 6.780 7.824 -1.044 1
1 263 . 19 1 1 A 21 21 GLU HA H 21 4.150 4.729 -0.579 1
1 268 . 19 1 1 A 21 21 GLU C C 21 175.400 175.562 -0.162 1
1 269 . 19 1 1 A 21 21 GLU CA C 21 56.200 55.674 0.526 1
1 270 . 19 1 1 A 21 21 GLU CB C 21 31.600 31.314 0.286 1
1 272 . 19 1 1 A 21 21 GLU N N 21 121.600 120.455 1.145 1
1 273 . 19 1 1 A 22 22 LYS H H 22 8.860 8.682 0.178 1
1 274 . 19 1 1 A 22 22 LYS HA H 22 4.160 4.379 -0.219 1
1 283 . 19 1 1 A 22 22 LYS C C 22 176.100 176.258 -0.158 1
1 284 . 19 1 1 A 22 22 LYS CA C 22 57.200 55.806 1.394 1
1 285 . 19 1 1 A 22 22 LYS CB C 22 33.000 33.401 -0.401 1
1 289 . 19 1 1 A 22 22 LYS N N 22 128.900 127.330 1.570 1
1 290 . 19 1 1 A 23 23 TRP H H 23 8.750 8.643 0.107 1
1 291 . 19 1 1 A 23 23 TRP HA H 23 5.400 5.162 0.238 1
1 300 . 19 1 1 A 23 23 TRP C C 23 176.500 174.759 1.741 1
1 301 . 19 1 1 A 23 23 TRP CA C 23 54.600 56.469 -1.869 1
1 302 . 19 1 1 A 23 23 TRP CB C 23 31.100 33.266 -2.166 1
1 308 . 19 1 1 A 23 23 TRP N N 23 126.100 122.814 3.286 1
1 310 . 19 1 1 A 24 24 GLU H H 24 9.040 8.548 0.492 1
1 311 . 19 1 1 A 24 24 GLU HA H 24 4.590 5.015 -0.425 1
1 316 . 19 1 1 A 24 24 GLU C C 24 174.100 175.234 -1.134 1
1 317 . 19 1 1 A 24 24 GLU CA C 24 54.200 54.758 -0.558 1
1 318 . 19 1 1 A 24 24 GLU CB C 24 31.600 32.659 -1.059 1
1 320 . 19 1 1 A 24 24 GLU N N 24 122.700 121.081 1.619 1
1 321 . 19 1 1 A 25 25 CYS H H 25 8.740 9.053 -0.313 1
1 322 . 19 1 1 A 25 25 CYS HA H 25 4.870 4.883 -0.013 1
1 325 . 19 1 1 A 25 25 CYS C C 25 174.400 174.421 -0.021 1
1 326 . 19 1 1 A 25 25 CYS CA C 25 57.200 57.864 -0.664 1
1 327 . 19 1 1 A 25 25 CYS CB C 25 30.200 29.357 0.843 1
1 328 . 19 1 1 A 25 25 CYS N N 25 119.900 125.766 -5.866 1
1 329 . 19 1 1 A 26 26 GLU H H 26 9.220 8.377 0.843 1
1 330 . 19 1 1 A 26 26 GLU HA H 26 4.740 4.855 -0.115 1
1 335 . 19 1 1 A 26 26 GLU C C 26 175.000 174.620 0.380 1
1 336 . 19 1 1 A 26 26 GLU CA C 26 55.100 55.284 -0.184 1
1 337 . 19 1 1 A 26 26 GLU CB C 26 31.700 32.550 -0.850 1
1 339 . 19 1 1 A 26 26 GLU N N 26 131.200 125.470 5.730 1
1 340 . 19 1 1 A 27 27 SER H H 27 8.900 8.899 0.001 1
1 341 . 19 1 1 A 27 27 SER HA H 27 5.750 5.235 0.515 1
1 344 . 19 1 1 A 27 27 SER C C 27 173.600 173.448 0.152 1
1 345 . 19 1 1 A 27 27 SER CA C 27 56.700 57.165 -0.465 1
1 346 . 19 1 1 A 27 27 SER CB C 27 64.200 64.207 -0.007 1
1 347 . 19 1 1 A 27 27 SER N N 27 125.100 123.155 1.945 1
1 348 . 19 1 1 A 28 28 ILE H H 28 8.540 8.411 0.129 1
1 349 . 19 1 1 A 28 28 ILE HA H 28 4.680 4.735 -0.055 1
1 359 . 19 1 1 A 28 28 ILE C C 28 174.100 174.099 0.001 1
1 360 . 19 1 1 A 28 28 ILE CA C 28 59.800 59.188 0.612 1
1 361 . 19 1 1 A 28 28 ILE CB C 28 42.700 41.711 0.989 1
1 365 . 19 1 1 A 28 28 ILE N N 28 123.200 126.490 -3.290 1
1 366 . 19 1 1 A 29 29 GLU H H 29 8.430 8.569 -0.139 1
1 367 . 19 1 1 A 29 29 GLU HA H 29 5.430 4.866 0.564 1
1 372 . 19 1 1 A 29 29 GLU C C 29 176.000 176.332 -0.332 1
1 373 . 19 1 1 A 29 29 GLU CA C 29 55.600 56.145 -0.545 1
1 374 . 19 1 1 A 29 29 GLU CB C 29 31.200 30.413 0.787 1
1 376 . 19 1 1 A 29 29 GLU N N 29 123.900 127.221 -3.321 1
1 377 . 19 1 1 A 30 30 GLU H H 30 8.850 8.577 0.273 1
1 378 . 19 1 1 A 30 30 GLU HA H 30 4.730 4.952 -0.222 1
1 383 . 19 1 1 A 30 30 GLU C C 30 174.300 176.166 -1.866 1
1 384 . 19 1 1 A 30 30 GLU CA C 30 54.700 54.220 0.480 1
1 385 . 19 1 1 A 30 30 GLU CB C 30 34.400 33.803 0.597 1
1 387 . 19 1 1 A 30 30 GLU N N 30 121.900 124.046 -2.146 1
1 388 . 19 1 1 A 31 31 VAL H H 31 9.260 8.902 0.358 1
1 389 . 19 1 1 A 31 31 VAL HA H 31 4.250 4.003 0.247 1
1 397 . 19 1 1 A 31 31 VAL C C 31 177.700 176.620 1.080 1
1 398 . 19 1 1 A 31 31 VAL CA C 31 62.500 63.565 -1.065 1
1 399 . 19 1 1 A 31 31 VAL CB C 31 31.800 31.820 -0.020 1
1 402 . 19 1 1 A 31 31 VAL N N 31 124.500 122.438 2.062 1
1 403 . 19 1 1 A 32 32 ALA H H 32 9.250 8.700 0.550 1
1 404 . 19 1 1 A 32 32 ALA HA H 32 3.710 4.060 -0.350 1
1 408 . 19 1 1 A 32 32 ALA C C 32 178.600 179.099 -0.499 1
1 409 . 19 1 1 A 32 32 ALA CA C 32 55.800 55.863 -0.063 1
1 410 . 19 1 1 A 32 32 ALA CB C 32 19.400 18.120 1.280 1
1 411 . 19 1 1 A 32 32 ALA N N 32 129.900 128.539 1.361 1
1 412 . 19 1 1 A 33 33 ASP H H 33 9.510 8.282 1.228 1
1 413 . 19 1 1 A 33 33 ASP HA H 33 4.180 4.585 -0.405 1
1 416 . 19 1 1 A 33 33 ASP C C 33 176.300 177.263 -0.963 1
1 417 . 19 1 1 A 33 33 ASP CA C 33 54.600 55.969 -1.369 1
1 418 . 19 1 1 A 33 33 ASP CB C 33 39.200 40.705 -1.505 1
1 419 . 19 1 1 A 33 33 ASP N N 33 110.700 118.240 -7.540 1
1 420 . 19 1 1 A 34 34 ASP H H 34 7.830 8.078 -0.248 1
1 421 . 19 1 1 A 34 34 ASP HA H 34 4.650 4.510 0.140 1
1 424 . 19 1 1 A 34 34 ASP C C 34 176.300 176.908 -0.608 1
1 425 . 19 1 1 A 34 34 ASP CA C 34 55.100 56.017 -0.917 1
1 426 . 19 1 1 A 34 34 ASP CB C 34 41.000 41.179 -0.179 1
1 427 . 19 1 1 A 34 34 ASP N N 34 114.700 118.594 -3.894 1
1 428 . 19 1 1 A 35 35 ILE H H 35 7.290 7.584 -0.294 1
1 429 . 19 1 1 A 35 35 ILE HA H 35 4.490 4.484 0.006 1
1 439 . 19 1 1 A 35 35 ILE C C 35 174.100 174.768 -0.668 1
1 440 . 19 1 1 A 35 35 ILE CA C 35 60.700 60.001 0.699 1
1 441 . 19 1 1 A 35 35 ILE CB C 35 40.600 39.034 1.566 1
1 445 . 19 1 1 A 35 35 ILE N N 35 113.400 111.064 2.336 1
1 446 . 19 1 1 A 36 36 LEU H H 36 7.730 7.663 0.067 1
1 447 . 19 1 1 A 36 36 LEU HA H 36 4.800 4.900 -0.100 1
1 457 . 19 1 1 A 36 36 LEU CA C 36 52.200 51.143 1.057 1
1 458 . 19 1 1 A 36 36 LEU CB C 36 42.700 45.012 -2.312 1
1 462 . 19 1 1 A 36 36 LEU N N 36 120.400 123.720 -3.320 1
1 463 . 19 1 1 A 37 37 PRO HA H 37 4.440 4.608 -0.168 1
1 470 . 19 1 1 A 37 37 PRO C C 37 177.100 177.377 -0.277 1
1 471 . 19 1 1 A 37 37 PRO CA C 37 63.100 63.289 -0.189 1
1 472 . 19 1 1 A 37 37 PRO CB C 37 32.700 32.847 -0.147 1
1 475 . 19 1 1 A 38 38 ASP H H 38 8.690 8.851 -0.161 1
1 476 . 19 1 1 A 38 38 ASP HA H 38 4.230 4.338 -0.108 1
1 479 . 19 1 1 A 38 38 ASP C C 38 177.800 178.231 -0.431 1
1 480 . 19 1 1 A 38 38 ASP CA C 38 57.900 56.688 1.212 1
1 481 . 19 1 1 A 38 38 ASP CB C 38 42.200 40.102 2.098 1
1 482 . 19 1 1 A 38 38 ASP N N 38 123.800 124.168 -0.368 1
1 483 . 19 1 1 A 39 39 GLN H H 39 9.080 8.066 1.014 1
1 484 . 19 1 1 A 39 39 GLN HA H 39 3.990 4.022 -0.032 1
1 491 . 19 1 1 A 39 39 GLN C C 39 176.400 176.898 -0.498 1
1 492 . 19 1 1 A 39 39 GLN CA C 39 58.000 58.679 -0.679 1
1 493 . 19 1 1 A 39 39 GLN CB C 39 27.300 28.649 -1.349 1
1 496 . 19 1 1 A 39 39 GLN N N 39 115.100 118.243 -3.143 1
1 498 . 19 1 1 A 40 40 TYR H H 40 7.510 8.112 -0.602 1
1 499 . 19 1 1 A 40 40 TYR HA H 40 4.730 4.500 0.230 1
1 506 . 19 1 1 A 40 40 TYR C C 40 174.200 176.538 -2.338 1
1 507 . 19 1 1 A 40 40 TYR CA C 40 57.000 57.546 -0.546 1
1 508 . 19 1 1 A 40 40 TYR CB C 40 39.400 37.905 1.495 1
1 513 . 19 1 1 A 40 40 TYR N N 40 116.800 117.237 -0.437 1
1 514 . 19 1 1 A 41 41 VAL H H 41 7.370 7.751 -0.381 1
1 515 . 19 1 1 A 41 41 VAL HA H 41 4.000 4.084 -0.084 1
1 523 . 19 1 1 A 41 41 VAL C C 41 175.400 177.840 -2.440 1
1 524 . 19 1 1 A 41 41 VAL CA C 41 62.800 64.508 -1.708 1
1 525 . 19 1 1 A 41 41 VAL CB C 41 34.300 32.663 1.637 1
1 528 . 19 1 1 A 41 41 VAL N N 41 116.100 119.384 -3.284 1
1 529 . 19 1 1 A 42 42 ARG H H 42 7.990 7.784 0.206 1
1 530 . 19 1 1 A 42 42 ARG HA H 42 3.970 3.994 -0.024 1
1 537 . 19 1 1 A 42 42 ARG C C 42 176.600 178.801 -2.201 1
1 538 . 19 1 1 A 42 42 ARG CA C 42 58.500 59.846 -1.346 1
1 539 . 19 1 1 A 42 42 ARG CB C 42 29.700 29.626 0.074 1
1 542 . 19 1 1 A 42 42 ARG N N 42 120.900 119.689 1.211 1
1 543 . 19 1 1 A 43 43 LEU H H 43 8.930 7.772 1.158 1
1 544 . 19 1 1 A 43 43 LEU HA H 43 4.060 4.021 0.039 1
1 554 . 19 1 1 A 43 43 LEU C C 43 176.200 177.761 -1.561 1
1 555 . 19 1 1 A 43 43 LEU CA C 43 56.100 58.267 -2.167 1
1 556 . 19 1 1 A 43 43 LEU CB C 43 40.100 41.964 -1.864 1
1 560 . 19 1 1 A 43 43 LEU N N 43 119.500 119.255 0.245 1
1 561 . 19 1 1 A 44 44 GLY H H 44 7.890 7.896 -0.006 1
1 562 . 19 1 1 A 44 44 GLY HA2 H 44 3.930 4.026 -0.096 1
1 563 . 19 1 1 A 44 44 GLY HA3 H 44 4.540 4.048 0.492 1
1 564 . 19 1 1 A 44 44 GLY CA C 44 44.900 45.259 -0.359 1
1 565 . 19 1 1 A 44 44 GLY N N 44 107.000 107.117 -0.117 1
1 566 . 19 1 1 A 45 45 PRO HA H 45 4.360 4.317 0.043 1
1 573 . 19 1 1 A 45 45 PRO C C 45 176.900 177.723 -0.823 1
1 574 . 19 1 1 A 45 45 PRO CA C 45 64.400 64.314 0.086 1
1 575 . 19 1 1 A 45 45 PRO CB C 45 31.900 31.924 -0.024 1
1 578 . 19 1 1 A 46 46 LEU H H 46 8.660 8.212 0.448 1
1 579 . 19 1 1 A 46 46 LEU HA H 46 3.970 4.057 -0.087 1
1 589 . 19 1 1 A 46 46 LEU C C 46 176.300 176.640 -0.340 1
1 590 . 19 1 1 A 46 46 LEU CA C 46 55.900 56.495 -0.595 1
1 591 . 19 1 1 A 46 46 LEU CB C 46 43.500 41.299 2.201 1
1 595 . 19 1 1 A 46 46 LEU N N 46 117.000 118.636 -1.636 1
1 596 . 19 1 1 A 47 47 SER H H 47 7.160 7.272 -0.112 1
1 597 . 19 1 1 A 47 47 SER HA H 47 4.080 4.166 -0.086 1
1 600 . 19 1 1 A 47 47 SER C C 47 176.600 175.401 1.199 1
1 601 . 19 1 1 A 47 47 SER CA C 47 59.100 59.006 0.094 1
1 602 . 19 1 1 A 47 47 SER CB C 47 62.800 63.000 -0.200 1
1 603 . 19 1 1 A 47 47 SER N N 47 110.300 116.152 -5.852 1
1 604 . 19 1 1 A 48 48 ASN H H 48 11.000 9.051 1.949 1
1 605 . 19 1 1 A 48 48 ASN HA H 48 4.090 4.324 -0.234 1
1 610 . 19 1 1 A 48 48 ASN C C 48 174.700 173.881 0.819 1
1 611 . 19 1 1 A 48 48 ASN CA C 48 55.200 54.766 0.434 1
1 612 . 19 1 1 A 48 48 ASN CB C 48 38.300 37.421 0.879 1
1 614 . 19 1 1 A 48 48 ASN N N 48 123.200 120.490 2.710 1
1 616 . 19 1 1 A 49 49 LYS H H 49 7.830 8.030 -0.200 1
1 617 . 19 1 1 A 49 49 LYS HA H 49 4.360 4.493 -0.133 1
1 626 . 19 1 1 A 49 49 LYS C C 49 175.100 175.868 -0.768 1
1 627 . 19 1 1 A 49 49 LYS CA C 49 56.100 55.722 0.378 1
1 628 . 19 1 1 A 49 49 LYS CB C 49 33.200 33.836 -0.636 1
1 632 . 19 1 1 A 49 49 LYS N N 49 119.400 120.217 -0.817 1
1 633 . 19 1 1 A 50 50 ILE H H 50 8.570 8.626 -0.056 1
1 634 . 19 1 1 A 50 50 ILE HA H 50 4.160 4.376 -0.216 1
1 644 . 19 1 1 A 50 50 ILE C C 50 175.000 175.326 -0.326 1
1 645 . 19 1 1 A 50 50 ILE CA C 50 61.200 60.303 0.897 1
1 646 . 19 1 1 A 50 50 ILE CB C 50 36.900 37.588 -0.688 1
1 650 . 19 1 1 A 50 50 ILE N N 50 123.000 126.610 -3.610 1
1 651 . 19 1 1 A 51 51 LEU H H 51 9.270 8.763 0.507 1
1 652 . 19 1 1 A 51 51 LEU HA H 51 5.170 5.089 0.081 1
1 662 . 19 1 1 A 51 51 LEU C C 51 176.300 176.417 -0.117 1
1 663 . 19 1 1 A 51 51 LEU CA C 51 52.500 53.424 -0.924 1
1 664 . 19 1 1 A 51 51 LEU CB C 51 42.600 44.731 -2.131 1
1 668 . 19 1 1 A 51 51 LEU N N 51 127.000 129.149 -2.149 1
1 669 . 19 1 1 A 52 52 GLN H H 52 9.110 8.204 0.906 1
1 670 . 19 1 1 A 52 52 GLN HA H 52 4.590 4.691 -0.101 1
1 677 . 19 1 1 A 52 52 GLN C C 52 175.000 176.315 -1.315 1
1 678 . 19 1 1 A 52 52 GLN CA C 52 56.800 55.725 1.075 1
1 679 . 19 1 1 A 52 52 GLN CB C 52 29.200 29.462 -0.262 1
1 682 . 19 1 1 A 52 52 GLN N N 52 122.700 122.624 0.076 1
1 684 . 19 1 1 A 53 53 THR H H 53 9.110 8.563 0.547 1
1 685 . 19 1 1 A 53 53 THR HA H 53 4.730 5.141 -0.411 1
1 690 . 19 1 1 A 53 53 THR C C 53 172.500 174.021 -1.521 1
1 691 . 19 1 1 A 53 53 THR CA C 53 60.500 60.803 -0.303 1
1 692 . 19 1 1 A 53 53 THR CB C 53 69.800 70.675 -0.875 1
1 694 . 19 1 1 A 53 53 THR N N 53 121.500 116.536 4.964 1
1 695 . 19 1 1 A 54 54 ASN H H 54 8.210 8.849 -0.639 1
1 696 . 19 1 1 A 54 54 ASN HA H 54 5.400 5.582 -0.182 1
1 701 . 19 1 1 A 54 54 ASN C C 54 172.900 174.121 -1.221 1
1 702 . 19 1 1 A 54 54 ASN CA C 54 52.400 52.472 -0.072 1
1 703 . 19 1 1 A 54 54 ASN CB C 54 40.900 39.864 1.036 1
1 705 . 19 1 1 A 54 54 ASN N N 54 125.400 119.176 6.224 1
1 707 . 19 1 1 A 55 55 THR H H 55 8.510 8.425 0.085 1
1 708 . 19 1 1 A 55 55 THR HA H 55 5.120 4.923 0.197 1
1 713 . 19 1 1 A 55 55 THR C C 55 172.800 173.802 -1.002 1
1 714 . 19 1 1 A 55 55 THR CA C 55 61.400 62.605 -1.205 1
1 715 . 19 1 1 A 55 55 THR CB C 55 69.700 69.781 -0.081 1
1 717 . 19 1 1 A 55 55 THR N N 55 119.300 120.808 -1.508 1
1 718 . 19 1 1 A 56 56 TYR H H 56 8.460 9.612 -1.152 1
1 719 . 19 1 1 A 56 56 TYR HA H 56 5.260 5.718 -0.458 1
1 726 . 19 1 1 A 56 56 TYR C C 56 173.400 175.262 -1.862 1
1 727 . 19 1 1 A 56 56 TYR CA C 56 57.500 56.472 1.028 1
1 728 . 19 1 1 A 56 56 TYR CB C 56 41.400 41.282 0.118 1
1 733 . 19 1 1 A 56 56 TYR N N 56 125.400 126.457 -1.057 1
1 734 . 19 1 1 A 57 57 TYR H H 57 8.450 8.588 -0.138 1
1 735 . 19 1 1 A 57 57 TYR HA H 57 4.530 5.548 -1.018 1
1 742 . 19 1 1 A 57 57 TYR C C 57 172.400 173.297 -0.897 1
1 743 . 19 1 1 A 57 57 TYR CA C 57 56.600 56.068 0.532 1
1 744 . 19 1 1 A 57 57 TYR CB C 57 41.700 41.825 -0.125 1
1 749 . 19 1 1 A 57 57 TYR N N 57 113.900 119.811 -5.911 1
1 750 . 19 1 1 A 58 58 SER H H 58 7.100 8.718 -1.618 1
1 751 . 19 1 1 A 58 58 SER HA H 58 4.750 4.960 -0.210 1
1 754 . 19 1 1 A 58 58 SER C C 58 173.800 173.852 -0.052 1
1 755 . 19 1 1 A 58 58 SER CA C 58 56.600 55.985 0.615 1
1 756 . 19 1 1 A 58 58 SER CB C 58 65.600 65.576 0.024 1
1 757 . 19 1 1 A 58 58 SER N N 58 114.200 114.410 -0.210 1
1 758 . 19 1 1 A 59 59 ASP H H 59 9.140 9.064 0.076 1
1 759 . 19 1 1 A 59 59 ASP HA H 59 4.550 4.396 0.154 1
1 762 . 19 1 1 A 59 59 ASP C C 59 179.000 178.628 0.372 1
1 763 . 19 1 1 A 59 59 ASP CA C 59 58.500 57.775 0.725 1
1 764 . 19 1 1 A 59 59 ASP CB C 59 40.400 40.347 0.053 1
1 765 . 19 1 1 A 59 59 ASP N N 59 121.800 125.200 -3.400 1
1 766 . 19 1 1 A 60 60 THR H H 60 9.060 7.663 1.397 1
1 767 . 19 1 1 A 60 60 THR HA H 60 4.000 4.004 -0.004 1
1 772 . 19 1 1 A 60 60 THR C C 60 178.000 176.489 1.511 1
1 773 . 19 1 1 A 60 60 THR CA C 60 67.300 65.567 1.733 1
1 774 . 19 1 1 A 60 60 THR CB C 60 67.300 68.713 -1.413 1
1 776 . 19 1 1 A 60 60 THR N N 60 114.800 113.913 0.887 1
1 777 . 19 1 1 A 61 61 LEU H H 61 7.950 8.075 -0.125 1
1 778 . 19 1 1 A 61 61 LEU HA H 61 3.610 3.740 -0.130 1
1 788 . 19 1 1 A 61 61 LEU C C 61 178.900 178.391 0.509 1
1 789 . 19 1 1 A 61 61 LEU CA C 61 58.600 57.883 0.717 1
1 790 . 19 1 1 A 61 61 LEU CB C 61 39.500 40.986 -1.486 1
1 794 . 19 1 1 A 61 61 LEU N N 61 126.100 122.507 3.593 1
1 795 . 19 1 1 A 62 62 HIS H H 62 8.260 8.682 -0.422 1
1 796 . 19 1 1 A 62 62 HIS HA H 62 4.470 3.922 0.548 1
1 800 . 19 1 1 A 62 62 HIS C C 62 178.900 176.707 2.193 1
1 801 . 19 1 1 A 62 62 HIS CA C 62 58.600 60.316 -1.716 1
1 802 . 19 1 1 A 62 62 HIS CB C 62 29.500 30.083 -0.583 1
1 804 . 19 1 1 A 62 62 HIS N N 62 116.000 117.703 -1.703 1
1 805 . 19 1 1 A 63 63 LYS H H 63 7.790 7.956 -0.166 1
1 806 . 19 1 1 A 63 63 LYS HA H 63 3.960 3.903 0.057 1
1 815 . 19 1 1 A 63 63 LYS C C 63 177.900 179.454 -1.554 1
1 816 . 19 1 1 A 63 63 LYS CA C 63 59.200 59.450 -0.250 1
1 817 . 19 1 1 A 63 63 LYS CB C 63 32.400 32.283 0.117 1
1 821 . 19 1 1 A 63 63 LYS N N 63 119.100 119.609 -0.509 1
1 822 . 19 1 1 A 64 64 SER H H 64 7.580 7.499 0.081 1
1 823 . 19 1 1 A 64 64 SER HA H 64 4.260 4.246 0.014 1
1 826 . 19 1 1 A 64 64 SER C C 64 172.100 172.938 -0.838 1
1 827 . 19 1 1 A 64 64 SER CA C 64 59.300 58.353 0.947 1
1 828 . 19 1 1 A 64 64 SER CB C 64 63.600 62.982 0.618 1
1 829 . 19 1 1 A 64 64 SER N N 64 112.470 115.199 -2.729 1
1 830 . 19 1 1 A 65 65 ASN H H 65 7.760 7.750 0.010 1
1 831 . 19 1 1 A 65 65 ASN HA H 65 3.870 3.895 -0.025 1
1 836 . 19 1 1 A 65 65 ASN C C 65 171.100 173.374 -2.274 1
1 837 . 19 1 1 A 65 65 ASN CA C 65 54.300 54.172 0.128 1
1 838 . 19 1 1 A 65 65 ASN CB C 65 37.500 36.581 0.919 1
1 840 . 19 1 1 A 65 65 ASN N N 65 117.600 116.167 1.433 1
1 842 . 19 1 1 A 66 66 ILE H H 66 6.820 6.502 0.318 1
1 843 . 19 1 1 A 66 66 ILE HA H 66 4.590 4.290 0.300 1
1 853 . 19 1 1 A 66 66 ILE C C 66 174.000 173.891 0.109 1
1 854 . 19 1 1 A 66 66 ILE CA C 66 58.200 59.732 -1.532 1
1 855 . 19 1 1 A 66 66 ILE CB C 66 40.200 40.197 0.003 1
1 859 . 19 1 1 A 66 66 ILE N N 66 113.900 117.978 -4.078 1
1 860 . 19 1 1 A 67 67 TYR H H 67 8.530 8.298 0.232 1
1 861 . 19 1 1 A 67 67 TYR HA H 67 5.050 5.498 -0.448 1
1 868 . 19 1 1 A 67 67 TYR CA C 67 54.000 54.771 -0.771 1
1 869 . 19 1 1 A 67 67 TYR CB C 67 39.400 38.950 0.450 1
1 874 . 19 1 1 A 67 67 TYR N N 67 120.200 125.622 -5.422 1
1 875 . 19 1 1 A 68 68 PRO HA H 68 5.120 5.169 -0.049 1
1 882 . 19 1 1 A 68 68 PRO C C 68 174.600 177.086 -2.486 1
1 883 . 19 1 1 A 68 68 PRO CA C 68 61.500 62.645 -1.145 1
1 884 . 19 1 1 A 68 68 PRO CB C 68 32.200 32.579 -0.379 1
1 887 . 19 1 1 A 69 69 PHE H H 69 8.870 8.706 0.164 1
1 888 . 19 1 1 A 69 69 PHE HA H 69 6.330 5.667 0.663 1
1 896 . 19 1 1 A 69 69 PHE C C 69 173.000 172.649 0.351 1
1 897 . 19 1 1 A 69 69 PHE CA C 69 56.300 56.266 0.034 1
1 898 . 19 1 1 A 69 69 PHE CB C 69 42.900 42.418 0.482 1
1 903 . 19 1 1 A 69 69 PHE N N 69 118.400 118.580 -0.180 1
1 904 . 19 1 1 A 70 70 ILE H H 70 9.060 8.676 0.384 1
1 905 . 19 1 1 A 70 70 ILE HA H 70 4.840 4.819 0.021 1
1 915 . 19 1 1 A 70 70 ILE C C 70 175.700 174.869 0.831 1
1 916 . 19 1 1 A 70 70 ILE CA C 70 61.900 59.561 2.339 1
1 917 . 19 1 1 A 70 70 ILE CB C 70 43.000 42.064 0.936 1
1 921 . 19 1 1 A 70 70 ILE N N 70 117.700 120.811 -3.111 1
1 922 . 19 1 1 A 71 71 LEU H H 71 9.320 8.451 0.869 1
1 923 . 19 1 1 A 71 71 LEU HA H 71 5.720 5.244 0.476 1
1 933 . 19 1 1 A 71 71 LEU C C 71 175.600 175.528 0.072 1
1 934 . 19 1 1 A 71 71 LEU CA C 71 52.400 54.043 -1.643 1
1 935 . 19 1 1 A 71 71 LEU CB C 71 43.700 43.612 0.088 1
1 939 . 19 1 1 A 71 71 LEU N N 71 124.800 125.962 -1.162 1
1 940 . 19 1 1 A 72 72 TYR H H 72 9.250 9.176 0.074 1
1 941 . 19 1 1 A 72 72 TYR HA H 72 5.350 5.382 -0.032 1
1 948 . 19 1 1 A 72 72 TYR C C 72 174.100 174.734 -0.634 1
1 949 . 19 1 1 A 72 72 TYR CA C 72 57.300 56.769 0.531 1
1 950 . 19 1 1 A 72 72 TYR CB C 72 44.500 42.058 2.442 1
1 955 . 19 1 1 A 72 72 TYR N N 72 120.700 122.431 -1.731 1
1 956 . 19 1 1 A 73 73 TYR H H 73 9.250 9.246 0.004 1
1 957 . 19 1 1 A 73 73 TYR HA H 73 5.110 4.972 0.138 1
1 964 . 19 1 1 A 73 73 TYR C C 73 174.500 175.004 -0.504 1
1 965 . 19 1 1 A 73 73 TYR CA C 73 56.500 57.928 -1.428 1
1 966 . 19 1 1 A 73 73 TYR CB C 73 40.400 41.652 -1.252 1
1 971 . 19 1 1 A 73 73 TYR N N 73 120.300 123.811 -3.511 1
1 972 . 19 1 1 A 74 74 GLN H H 74 9.310 9.174 0.136 1
1 973 . 19 1 1 A 74 74 GLN HA H 74 3.530 3.812 -0.282 1
1 980 . 19 1 1 A 74 74 GLN C C 74 175.400 175.042 0.358 1
1 981 . 19 1 1 A 74 74 GLN CA C 74 57.200 57.054 0.146 1
1 982 . 19 1 1 A 74 74 GLN CB C 74 25.500 26.794 -1.294 1
1 985 . 19 1 1 A 74 74 GLN N N 74 126.000 127.787 -1.787 1
1 987 . 19 1 1 A 75 75 LYS H H 75 8.530 8.447 0.083 1
1 988 . 19 1 1 A 75 75 LYS HA H 75 3.820 3.821 -0.001 1
1 997 . 19 1 1 A 75 75 LYS C C 75 175.500 174.979 0.521 1
1 998 . 19 1 1 A 75 75 LYS CA C 75 57.300 57.303 -0.003 1
1 999 . 19 1 1 A 75 75 LYS CB C 75 30.900 29.752 1.148 1
1 1003 . 19 1 1 A 75 75 LYS N N 75 113.600 110.005 3.595 1
1 1004 . 19 1 1 A 76 76 GLN H H 76 8.550 7.812 0.738 1
1 1005 . 19 1 1 A 76 76 GLN HA H 76 4.470 4.702 -0.232 1
1 1012 . 19 1 1 A 76 76 GLN C C 76 175.400 174.243 1.157 1
1 1013 . 19 1 1 A 76 76 GLN CA C 76 54.700 55.383 -0.683 1
1 1014 . 19 1 1 A 76 76 GLN CB C 76 29.900 31.389 -1.489 1
1 1017 . 19 1 1 A 76 76 GLN N N 76 122.200 117.899 4.301 1
1 1019 . 19 1 1 A 77 77 LEU H H 77 8.860 8.658 0.202 1
1 1020 . 19 1 1 A 77 77 LEU HA H 77 3.940 4.476 -0.536 1
1 1030 . 19 1 1 A 77 77 LEU C C 77 175.300 176.398 -1.098 1
1 1031 . 19 1 1 A 77 77 LEU CA C 77 56.800 54.640 2.160 1
1 1032 . 19 1 1 A 77 77 LEU CB C 77 41.800 43.251 -1.451 1
1 1036 . 19 1 1 A 77 77 LEU N N 77 128.900 122.130 6.770 1
1 1037 . 19 1 1 A 78 78 ILE H H 78 8.880 8.540 0.340 1
1 1038 . 19 1 1 A 78 78 ILE HA H 78 4.810 4.722 0.088 1
1 1048 . 19 1 1 A 78 78 ILE C C 78 174.600 176.082 -1.482 1
1 1049 . 19 1 1 A 78 78 ILE CA C 78 58.300 62.422 -4.122 1
1 1050 . 19 1 1 A 78 78 ILE CB C 78 38.270 39.757 -1.487 1
1 1054 . 19 1 1 A 78 78 ILE N N 78 126.900 119.350 7.550 1
1 1055 . 19 1 1 A 79 79 ALA H H 79 7.940 7.513 0.427 1
1 1056 . 19 1 1 A 79 79 ALA HA H 79 5.390 4.922 0.468 1
1 1060 . 19 1 1 A 79 79 ALA C C 79 175.300 175.140 0.160 1
1 1061 . 19 1 1 A 79 79 ALA CA C 79 51.600 51.681 -0.081 1
1 1062 . 19 1 1 A 79 79 ALA CB C 79 24.000 22.667 1.333 1
1 1063 . 19 1 1 A 79 79 ALA N N 79 115.000 118.735 -3.735 1
1 1064 . 19 1 1 A 80 80 ILE H H 80 8.580 8.708 -0.128 1
1 1065 . 19 1 1 A 80 80 ILE HA H 80 4.840 4.994 -0.154 1
1 1075 . 19 1 1 A 80 80 ILE C C 80 175.000 175.826 -0.826 1
1 1076 . 19 1 1 A 80 80 ILE CA C 80 60.300 59.476 0.824 1
1 1077 . 19 1 1 A 80 80 ILE CB C 80 42.800 41.551 1.249 1
1 1081 . 19 1 1 A 80 80 ILE N N 80 117.900 120.455 -2.555 1
1 1082 . 19 1 1 A 81 81 GLY H H 81 8.200 7.294 0.906 1
1 1083 . 19 1 1 A 81 81 GLY HA2 H 81 3.750 3.873 -0.123 1
1 1084 . 19 1 1 A 81 81 GLY HA3 H 81 4.070 4.173 -0.103 1
1 1085 . 19 1 1 A 81 81 GLY C C 81 169.100 171.973 -2.873 1
1 1086 . 19 1 1 A 81 81 GLY CA C 81 46.600 45.697 0.903 1
1 1087 . 19 1 1 A 81 81 GLY N N 81 116.400 112.033 4.367 1
1 1088 . 19 1 1 A 82 82 PHE H H 82 8.210 8.318 -0.108 1
1 1089 . 19 1 1 A 82 82 PHE HA H 82 5.340 5.806 -0.466 1
1 1094 . 19 1 1 A 82 82 PHE C C 82 172.400 172.355 0.045 1
1 1095 . 19 1 1 A 82 82 PHE CA C 82 56.300 55.993 0.307 1
1 1096 . 19 1 1 A 82 82 PHE CB C 82 40.100 42.569 -2.469 1
1 1099 . 19 1 1 A 82 82 PHE N N 82 114.500 113.104 1.396 1
1 1100 . 19 1 1 A 83 83 ILE H H 83 8.490 8.830 -0.340 1
1 1101 . 19 1 1 A 83 83 ILE HA H 83 4.740 4.997 -0.257 1
1 1111 . 19 1 1 A 83 83 ILE C C 83 175.200 174.632 0.568 1
1 1112 . 19 1 1 A 83 83 ILE CA C 83 60.400 60.170 0.230 1
1 1113 . 19 1 1 A 83 83 ILE CB C 83 39.500 40.492 -0.992 1
1 1117 . 19 1 1 A 83 83 ILE N N 83 123.400 120.556 2.844 1
1 1118 . 19 1 1 A 84 84 ASP H H 84 8.550 8.413 0.137 1
1 1119 . 19 1 1 A 84 84 ASP HA H 84 5.170 5.123 0.047 1
1 1122 . 19 1 1 A 84 84 ASP C C 84 178.600 175.199 3.401 1
1 1123 . 19 1 1 A 84 84 ASP CA C 84 52.200 51.662 0.538 1
1 1124 . 19 1 1 A 84 84 ASP CB C 84 42.400 43.431 -1.031 1
1 1125 . 19 1 1 A 84 84 ASP N N 84 126.900 127.095 -0.195 1
1 1126 . 19 1 1 A 85 85 GLU H H 85 9.250 8.527 0.723 1
1 1127 . 19 1 1 A 85 85 GLU HA H 85 4.350 4.214 0.136 1
1 1132 . 19 1 1 A 85 85 GLU C C 85 176.800 176.488 0.312 1
1 1133 . 19 1 1 A 85 85 GLU CA C 85 58.400 57.060 1.340 1
1 1134 . 19 1 1 A 85 85 GLU CB C 85 28.700 29.968 -1.268 1
1 1136 . 19 1 1 A 85 85 GLU N N 85 118.000 121.070 -3.070 1
1 1137 . 19 1 1 A 86 86 ASN H H 86 8.280 9.350 -1.070 1
1 1138 . 19 1 1 A 86 86 ASN HA H 86 4.760 4.513 0.247 1
1 1143 . 19 1 1 A 86 86 ASN C C 86 174.600 174.662 -0.062 1
1 1144 . 19 1 1 A 86 86 ASN CA C 86 52.800 54.358 -1.558 1
1 1145 . 19 1 1 A 86 86 ASN CB C 86 38.900 37.916 0.984 1
1 1147 . 19 1 1 A 86 86 ASN N N 86 118.300 119.355 -1.055 1
1 1149 . 19 1 1 A 87 87 HIS H H 87 8.570 8.345 0.225 1
1 1150 . 19 1 1 A 87 87 HIS HA H 87 3.940 4.288 -0.348 1
1 1154 . 19 1 1 A 87 87 HIS C C 87 173.600 173.697 -0.097 1
1 1155 . 19 1 1 A 87 87 HIS CA C 87 57.000 56.708 0.292 1
1 1156 . 19 1 1 A 87 87 HIS CB C 87 26.700 28.081 -1.381 1
1 1158 . 19 1 1 A 87 87 HIS N N 87 114.000 115.728 -1.728 1
1 1159 . 19 1 1 A 88 88 ASP H H 88 8.210 7.763 0.447 1
1 1160 . 19 1 1 A 88 88 ASP HA H 88 4.840 4.573 0.267 1
1 1163 . 19 1 1 A 88 88 ASP C C 88 174.800 175.306 -0.506 1
1 1164 . 19 1 1 A 88 88 ASP CA C 88 53.900 54.106 -0.206 1
1 1165 . 19 1 1 A 88 88 ASP CB C 88 41.500 41.387 0.113 1
1 1166 . 19 1 1 A 88 88 ASP N N 88 120.300 119.502 0.798 1
1 1167 . 19 1 1 A 89 89 MET H H 89 8.550 8.826 -0.276 1
1 1168 . 19 1 1 A 89 89 MET HA H 89 4.450 4.570 -0.120 1
1 1176 . 19 1 1 A 89 89 MET C C 89 173.400 174.313 -0.913 1
1 1177 . 19 1 1 A 89 89 MET CA C 89 55.800 54.776 1.024 1
1 1178 . 19 1 1 A 89 89 MET CB C 89 34.700 33.393 1.307 1
1 1181 . 19 1 1 A 89 89 MET N N 89 120.400 124.588 -4.188 1
1 1182 . 19 1 1 A 90 90 ASP H H 90 8.420 8.634 -0.214 1
1 1183 . 19 1 1 A 90 90 ASP HA H 90 4.580 5.105 -0.525 1
1 1186 . 19 1 1 A 90 90 ASP C C 90 174.600 174.854 -0.254 1
1 1187 . 19 1 1 A 90 90 ASP CA C 90 52.300 52.381 -0.081 1
1 1188 . 19 1 1 A 90 90 ASP CB C 90 41.800 42.892 -1.092 1
1 1189 . 19 1 1 A 90 90 ASP N N 90 126.900 126.504 0.396 1
1 1190 . 19 1 1 A 91 91 PHE H H 91 8.350 8.864 -0.514 1
1 1191 . 19 1 1 A 91 91 PHE HA H 91 4.780 4.938 -0.158 1
1 1199 . 19 1 1 A 91 91 PHE C C 91 175.600 175.660 -0.060 1
1 1200 . 19 1 1 A 91 91 PHE CA C 91 58.200 56.567 1.633 1
1 1201 . 19 1 1 A 91 91 PHE CB C 91 41.400 40.441 0.959 1
1 1207 . 19 1 1 A 91 91 PHE N N 91 118.600 122.582 -3.982 1
1 1208 . 19 1 1 A 92 92 LEU H H 92 9.060 9.036 0.024 1
1 1209 . 19 1 1 A 92 92 LEU HA H 92 4.330 4.487 -0.157 1
1 1219 . 19 1 1 A 92 92 LEU C C 92 175.700 175.564 0.136 1
1 1220 . 19 1 1 A 92 92 LEU CA C 92 55.200 56.790 -1.590 1
1 1221 . 19 1 1 A 92 92 LEU CB C 92 43.500 43.618 -0.118 1
1 1225 . 19 1 1 A 92 92 LEU N N 92 121.100 126.552 -5.452 1
1 1226 . 19 1 1 A 93 93 TYR H H 93 7.970 7.360 0.610 1
1 1227 . 19 1 1 A 93 93 TYR HA H 93 4.780 4.836 -0.056 1
1 1234 . 19 1 1 A 93 93 TYR C C 93 172.800 173.191 -0.391 1
1 1235 . 19 1 1 A 93 93 TYR CA C 93 57.600 56.894 0.706 1
1 1236 . 19 1 1 A 93 93 TYR CB C 93 42.500 41.758 0.742 1
1 1241 . 19 1 1 A 93 93 TYR N N 93 118.600 118.341 0.259 1
1 1242 . 19 1 1 A 94 94 LEU H H 94 8.220 8.273 -0.053 1
1 1243 . 19 1 1 A 94 94 LEU HA H 94 5.060 5.249 -0.189 1
1 1253 . 19 1 1 A 94 94 LEU C C 94 171.900 174.367 -2.467 1
1 1254 . 19 1 1 A 94 94 LEU CA C 94 55.100 53.105 1.995 1
1 1255 . 19 1 1 A 94 94 LEU CB C 94 44.800 45.407 -0.607 1
1 1259 . 19 1 1 A 94 94 LEU N N 94 128.600 130.413 -1.813 1
1 1260 . 19 1 1 A 95 95 HIS H H 95 9.720 9.069 0.651 1
1 1261 . 19 1 1 A 95 95 HIS HA H 95 4.570 5.013 -0.443 1
1 1266 . 19 1 1 A 95 95 HIS C C 95 173.100 172.526 0.574 1
1 1267 . 19 1 1 A 95 95 HIS CA C 95 55.500 54.846 0.654 1
1 1268 . 19 1 1 A 95 95 HIS CB C 95 35.900 32.699 3.201 1
1 1271 . 19 1 1 A 95 95 HIS N N 95 133.000 125.874 7.126 1
1 1272 . 19 1 1 A 96 96 ASN H H 96 7.670 8.709 -1.039 1
1 1273 . 19 1 1 A 96 96 ASN HA H 96 4.930 4.729 0.201 1
1 1278 . 19 1 1 A 96 96 ASN C C 96 176.100 174.577 1.523 1
1 1279 . 19 1 1 A 96 96 ASN CA C 96 51.000 51.493 -0.493 1
1 1280 . 19 1 1 A 96 96 ASN CB C 96 38.500 40.548 -2.048 1
1 1281 . 19 1 1 A 96 96 ASN N N 96 118.600 127.173 -8.573 1
1 1283 . 19 1 1 A 97 97 THR H H 97 10.580 8.103 2.477 1
1 1284 . 19 1 1 A 97 97 THR HA H 97 4.090 4.283 -0.193 1
1 1289 . 19 1 1 A 97 97 THR C C 97 174.600 174.510 0.090 1
1 1290 . 19 1 1 A 97 97 THR CA C 97 67.000 62.786 4.214 1
1 1291 . 19 1 1 A 97 97 THR CB C 97 68.300 68.476 -0.176 1
1 1293 . 19 1 1 A 97 97 THR N N 97 116.300 116.130 0.170 1
1 1294 . 19 1 1 A 98 98 VAL H H 98 8.440 8.869 -0.429 1
1 1295 . 19 1 1 A 98 98 VAL HA H 98 4.180 3.711 0.469 1
1 1303 . 19 1 1 A 98 98 VAL C C 98 174.800 175.443 -0.643 1
1 1304 . 19 1 1 A 98 98 VAL CA C 98 64.400 63.443 0.957 1
1 1305 . 19 1 1 A 98 98 VAL CB C 98 33.100 30.503 2.597 1
1 1308 . 19 1 1 A 98 98 VAL N N 98 123.900 122.277 1.623 1
1 1309 . 19 1 1 A 99 99 MET H H 99 8.590 7.427 1.163 1
1 1310 . 19 1 1 A 99 99 MET HA H 99 4.720 4.788 -0.068 1
1 1318 . 19 1 1 A 99 99 MET CA C 99 52.400 53.049 -0.649 1
1 1319 . 19 1 1 A 99 99 MET CB C 99 34.100 32.735 1.365 1
1 1322 . 19 1 1 A 99 99 MET N N 99 118.700 120.256 -1.556 1
1 1323 . 19 1 1 A 100 100 PRO HA H 100 4.210 4.371 -0.161 1
1 1330 . 19 1 1 A 100 100 PRO C C 100 175.900 176.215 -0.315 1
1 1331 . 19 1 1 A 100 100 PRO CA C 100 62.100 62.889 -0.789 1
1 1332 . 19 1 1 A 100 100 PRO CB C 100 31.000 32.111 -1.111 1
1 1335 . 19 1 1 A 101 101 LEU H H 101 9.010 8.704 0.306 1
1 1336 . 19 1 1 A 101 101 LEU HA H 101 4.310 4.302 0.008 1
1 1346 . 19 1 1 A 101 101 LEU C C 101 176.900 176.523 0.377 1
1 1347 . 19 1 1 A 101 101 LEU CA C 101 55.000 55.682 -0.682 1
1 1348 . 19 1 1 A 101 101 LEU CB C 101 42.800 42.669 0.131 1
1 1352 . 19 1 1 A 101 101 LEU N N 101 124.000 119.802 4.198 1
1 1353 . 19 1 1 A 102 102 LEU H H 102 7.620 7.526 0.094 1
1 1354 . 19 1 1 A 102 102 LEU HA H 102 4.360 4.830 -0.470 1
1 1364 . 19 1 1 A 102 102 LEU C C 102 174.800 174.568 0.232 1
1 1365 . 19 1 1 A 102 102 LEU CA C 102 54.900 53.306 1.594 1
1 1366 . 19 1 1 A 102 102 LEU CB C 102 45.300 44.471 0.829 1
1 1370 . 19 1 1 A 102 102 LEU N N 102 119.000 117.761 1.239 1
1 1371 . 19 1 1 A 103 103 ASP H H 103 9.120 8.881 0.239 1
1 1372 . 19 1 1 A 103 103 ASP HA H 103 5.100 5.043 0.057 1
1 1375 . 19 1 1 A 103 103 ASP C C 103 174.500 174.697 -0.197 1
1 1376 . 19 1 1 A 103 103 ASP CA C 103 54.900 53.170 1.730 1
1 1377 . 19 1 1 A 103 103 ASP CB C 103 41.000 40.600 0.400 1
1 1378 . 19 1 1 A 103 103 ASP N N 103 120.700 121.911 -1.211 1
1 1379 . 19 1 1 A 104 104 GLN H H 104 8.990 8.407 0.583 1
1 1380 . 19 1 1 A 104 104 GLN HA H 104 4.710 4.754 -0.044 1
1 1387 . 19 1 1 A 104 104 GLN C C 104 176.100 176.238 -0.138 1
1 1388 . 19 1 1 A 104 104 GLN CA C 104 54.100 55.280 -1.180 1
1 1389 . 19 1 1 A 104 104 GLN CB C 104 28.500 29.630 -1.130 1
1 1392 . 19 1 1 A 104 104 GLN N N 104 125.400 121.896 3.504 1
1 1394 . 19 1 1 A 105 105 ARG H H 105 8.380 8.947 -0.567 1
1 1395 . 19 1 1 A 105 105 ARG HA H 105 3.510 3.899 -0.389 1
1 1402 . 19 1 1 A 105 105 ARG C C 105 177.500 177.859 -0.359 1
1 1403 . 19 1 1 A 105 105 ARG CA C 105 60.200 59.735 0.465 1
1 1404 . 19 1 1 A 105 105 ARG CB C 105 29.400 29.567 -0.167 1
1 1407 . 19 1 1 A 105 105 ARG N N 105 117.700 125.911 -8.211 1
1 1408 . 19 1 1 A 106 106 TYR H H 106 7.800 8.089 -0.289 1
1 1409 . 19 1 1 A 106 106 TYR HA H 106 4.360 4.401 -0.041 1
1 1416 . 19 1 1 A 106 106 TYR C C 106 176.800 178.288 -1.488 1
1 1417 . 19 1 1 A 106 106 TYR CA C 106 58.600 60.313 -1.713 1
1 1418 . 19 1 1 A 106 106 TYR CB C 106 36.000 38.265 -2.265 1
1 1423 . 19 1 1 A 106 106 TYR N N 106 118.100 119.481 -1.381 1
1 1424 . 19 1 1 A 107 107 LEU H H 107 7.170 8.172 -1.002 1
1 1425 . 19 1 1 A 107 107 LEU HA H 107 3.970 4.131 -0.161 1
1 1435 . 19 1 1 A 107 107 LEU C C 107 178.300 178.088 0.212 1
1 1436 . 19 1 1 A 107 107 LEU CA C 107 56.600 58.102 -1.502 1
1 1437 . 19 1 1 A 107 107 LEU CB C 107 41.800 41.632 0.168 1
1 1441 . 19 1 1 A 107 107 LEU N N 107 121.900 121.159 0.741 1
1 1442 . 19 1 1 A 108 108 LEU H H 108 7.680 7.677 0.003 1
1 1443 . 19 1 1 A 108 108 LEU HA H 108 4.070 3.622 0.448 1
1 1453 . 19 1 1 A 108 108 LEU C C 108 177.500 178.521 -1.021 1
1 1454 . 19 1 1 A 108 108 LEU CA C 108 55.400 58.009 -2.609 1
1 1455 . 19 1 1 A 108 108 LEU CB C 108 41.500 41.644 -0.144 1
1 1459 . 19 1 1 A 108 108 LEU N N 108 115.400 120.003 -4.603 1
1 1460 . 19 1 1 A 109 109 THR H H 109 7.510 7.484 0.026 1
1 1461 . 19 1 1 A 109 109 THR HA H 109 4.310 4.649 -0.339 1
1 1466 . 19 1 1 A 109 109 THR C C 109 175.300 175.336 -0.036 1
1 1467 . 19 1 1 A 109 109 THR CA C 109 61.600 61.892 -0.292 1
1 1468 . 19 1 1 A 109 109 THR CB C 109 69.500 69.829 -0.329 1
1 1470 . 19 1 1 A 109 109 THR N N 109 108.800 107.530 1.270 1
1 1471 . 19 1 1 A 110 110 GLY H H 110 8.010 8.141 -0.131 1
1 1472 . 19 1 1 A 110 110 GLY HA2 H 110 3.950 4.063 -0.113 1
1 1473 . 19 1 1 A 110 110 GLY HA3 H 110 4.030 4.133 -0.103 1
1 1474 . 19 1 1 A 110 110 GLY C C 110 174.500 174.761 -0.261 1
1 1475 . 19 1 1 A 110 110 GLY CA C 110 45.400 46.199 -0.799 1
1 1476 . 19 1 1 A 110 110 GLY N N 110 110.100 111.485 -1.385 1
1 1477 . 19 1 1 A 111 111 GLY H H 111 8.310 8.235 0.075 1
1 1478 . 19 1 1 A 111 111 GLY HA2 H 111 3.930 3.930 0.000 1
1 1479 . 19 1 1 A 111 111 GLY HA3 H 111 3.930 3.965 -0.035 1
1 1480 . 19 1 1 A 111 111 GLY C C 111 173.700 174.799 -1.099 1
1 1481 . 19 1 1 A 111 111 GLY CA C 111 45.400 45.412 -0.012 1
1 1482 . 19 1 1 A 111 111 GLY N N 111 108.300 110.252 -1.952 1
1 1483 . 19 1 1 A 112 112 GLN H H 112 8.280 8.253 0.027 1
1 1484 . 19 1 1 A 112 112 GLN HA H 112 4.270 4.023 0.247 1
1 1491 . 19 1 1 A 112 112 GLN C C 112 175.700 174.712 0.988 1
1 1492 . 19 1 1 A 112 112 GLN CA C 112 55.600 56.600 -1.000 1
1 1493 . 19 1 1 A 112 112 GLN CB C 112 29.200 27.167 2.033 1
1 1496 . 19 1 1 A 112 112 GLN N N 112 119.200 119.261 -0.061 1
1 1498 . 19 1 1 A 113 113 LEU H H 113 8.260 8.147 0.113 1
1 1499 . 19 1 1 A 113 113 LEU HA H 113 4.180 4.651 -0.471 1
1 1509 . 19 1 1 A 113 113 LEU C C 113 177.000 176.514 0.486 1
1 1510 . 19 1 1 A 113 113 LEU CA C 113 55.100 53.763 1.337 1
1 1511 . 19 1 1 A 113 113 LEU CB C 113 42.100 42.968 -0.868 1
1 1515 . 19 1 1 A 113 113 LEU N N 113 122.800 122.409 0.391 1
1 1516 . 19 1 1 A 114 114 GLU H H 114 8.290 9.136 -0.846 1
1 1517 . 19 1 1 A 114 114 GLU HA H 114 4.140 4.618 -0.478 1
1 1522 . 19 1 1 A 114 114 GLU CA C 114 56.300 57.194 -0.894 1
1 1523 . 19 1 1 A 114 114 GLU CB C 114 30.200 32.238 -2.038 1
1 1 . 20 1 1 A 2 2 THR HA H 2 4.300 4.594 -0.294 1
1 6 . 20 1 1 A 2 2 THR C C 2 174.800 175.941 -1.141 1
1 7 . 20 1 1 A 2 2 THR CA C 2 61.100 62.705 -1.605 1
1 8 . 20 1 1 A 2 2 THR CB C 2 70.400 70.974 -0.574 1
1 10 . 20 1 1 A 3 3 LEU H H 3 8.760 7.913 0.847 1
1 11 . 20 1 1 A 3 3 LEU HA H 3 4.110 3.911 0.199 1
1 21 . 20 1 1 A 3 3 LEU C C 3 178.300 178.214 0.086 1
1 22 . 20 1 1 A 3 3 LEU CA C 3 57.800 58.231 -0.431 1
1 23 . 20 1 1 A 3 3 LEU CB C 3 41.600 41.681 -0.081 1
1 27 . 20 1 1 A 3 3 LEU N N 3 123.600 122.618 0.982 1
1 28 . 20 1 1 A 4 4 GLU H H 4 8.740 8.133 0.607 1
1 29 . 20 1 1 A 4 4 GLU HA H 4 3.670 3.922 -0.252 1
1 34 . 20 1 1 A 4 4 GLU C C 4 177.900 179.172 -1.272 1
1 35 . 20 1 1 A 4 4 GLU CA C 4 60.000 59.367 0.633 1
1 36 . 20 1 1 A 4 4 GLU CB C 4 29.200 29.279 -0.079 1
1 38 . 20 1 1 A 4 4 GLU N N 4 116.500 118.562 -2.062 1
1 39 . 20 1 1 A 5 5 LEU H H 5 7.340 8.436 -1.096 1
1 40 . 20 1 1 A 5 5 LEU HA H 5 3.900 3.887 0.013 1
1 50 . 20 1 1 A 5 5 LEU C C 5 178.900 179.163 -0.263 1
1 51 . 20 1 1 A 5 5 LEU CA C 5 56.900 58.027 -1.127 1
1 52 . 20 1 1 A 5 5 LEU CB C 5 41.200 41.271 -0.071 1
1 56 . 20 1 1 A 5 5 LEU N N 5 120.500 120.096 0.404 1
1 57 . 20 1 1 A 6 6 GLN H H 6 8.350 7.852 0.498 1
1 58 . 20 1 1 A 6 6 GLN HA H 6 3.970 4.312 -0.342 1
1 63 . 20 1 1 A 6 6 GLN C C 6 179.700 178.755 0.945 1
1 64 . 20 1 1 A 6 6 GLN CA C 6 59.100 58.753 0.347 1
1 65 . 20 1 1 A 6 6 GLN CB C 6 29.100 28.117 0.983 1
1 67 . 20 1 1 A 6 6 GLN N N 6 120.800 118.218 2.582 1
1 68 . 20 1 1 A 7 7 LEU H H 7 8.620 7.777 0.843 1
1 69 . 20 1 1 A 7 7 LEU HA H 7 4.010 4.107 -0.097 1
1 79 . 20 1 1 A 7 7 LEU C C 7 176.900 178.587 -1.687 1
1 80 . 20 1 1 A 7 7 LEU CA C 7 57.800 57.692 0.108 1
1 81 . 20 1 1 A 7 7 LEU CB C 7 41.700 41.611 0.089 1
1 85 . 20 1 1 A 7 7 LEU N N 7 121.000 121.836 -0.836 1
1 86 . 20 1 1 A 8 8 LYS H H 8 7.750 7.498 0.252 1
1 87 . 20 1 1 A 8 8 LYS HA H 8 3.570 3.636 -0.066 1
1 96 . 20 1 1 A 8 8 LYS C C 8 179.400 179.514 -0.114 1
1 97 . 20 1 1 A 8 8 LYS CA C 8 59.000 58.702 0.298 1
1 98 . 20 1 1 A 8 8 LYS CB C 8 32.400 31.794 0.606 1
1 102 . 20 1 1 A 8 8 LYS N N 8 119.700 118.863 0.837 1
1 103 . 20 1 1 A 9 9 HIS H H 9 8.520 7.523 0.997 1
1 104 . 20 1 1 A 9 9 HIS HA H 9 4.050 4.338 -0.288 1
1 107 . 20 1 1 A 9 9 HIS C C 9 176.500 177.720 -1.220 1
1 108 . 20 1 1 A 9 9 HIS CA C 9 59.400 59.780 -0.380 1
1 109 . 20 1 1 A 9 9 HIS CB C 9 29.900 29.793 0.107 1
1 110 . 20 1 1 A 9 9 HIS N N 9 120.500 119.309 1.191 1
1 111 . 20 1 1 A 10 10 TYR H H 10 7.990 8.510 -0.520 1
1 112 . 20 1 1 A 10 10 TYR HA H 10 4.160 4.010 0.150 1
1 119 . 20 1 1 A 10 10 TYR C C 10 177.400 177.232 0.168 1
1 120 . 20 1 1 A 10 10 TYR CA C 10 61.800 61.558 0.242 1
1 121 . 20 1 1 A 10 10 TYR CB C 10 39.500 38.880 0.620 1
1 126 . 20 1 1 A 10 10 TYR N N 10 119.200 119.826 -0.626 1
1 127 . 20 1 1 A 11 11 ILE H H 11 8.710 8.391 0.319 1
1 128 . 20 1 1 A 11 11 ILE HA H 11 3.540 3.500 0.040 1
1 138 . 20 1 1 A 11 11 ILE CA C 11 61.600 64.435 -2.835 1
1 139 . 20 1 1 A 11 11 ILE CB C 11 36.200 37.760 -1.560 1
1 143 . 20 1 1 A 11 11 ILE N N 11 118.900 120.615 -1.715 1
1 144 . 20 1 1 A 12 12 THR HA H 12 3.840 4.096 -0.256 1
1 149 . 20 1 1 A 12 12 THR C C 12 176.900 176.691 0.209 1
1 150 . 20 1 1 A 12 12 THR CA C 12 66.400 66.017 0.383 1
1 151 . 20 1 1 A 12 12 THR CB C 12 68.300 68.409 -0.109 1
1 153 . 20 1 1 A 13 13 ASN H H 13 7.440 8.243 -0.803 1
1 154 . 20 1 1 A 13 13 ASN HA H 13 4.420 4.431 -0.011 1
1 159 . 20 1 1 A 13 13 ASN C C 13 176.700 177.300 -0.600 1
1 160 . 20 1 1 A 13 13 ASN CA C 13 55.900 56.640 -0.740 1
1 161 . 20 1 1 A 13 13 ASN CB C 13 38.600 38.607 -0.007 1
1 163 . 20 1 1 A 13 13 ASN N N 13 118.300 120.825 -2.525 1
1 165 . 20 1 1 A 14 14 LEU H H 14 7.890 7.690 0.200 1
1 166 . 20 1 1 A 14 14 LEU HA H 14 3.660 3.750 -0.090 1
1 176 . 20 1 1 A 14 14 LEU C C 14 177.900 177.847 0.053 1
1 177 . 20 1 1 A 14 14 LEU CA C 14 57.600 57.518 0.082 1
1 178 . 20 1 1 A 14 14 LEU CB C 14 42.600 41.227 1.373 1
1 182 . 20 1 1 A 14 14 LEU N N 14 122.100 120.503 1.597 1
1 183 . 20 1 1 A 15 15 PHE H H 15 7.670 7.802 -0.132 1
1 184 . 20 1 1 A 15 15 PHE HA H 15 4.490 4.544 -0.054 1
1 191 . 20 1 1 A 15 15 PHE C C 15 173.800 174.808 -1.008 1
1 192 . 20 1 1 A 15 15 PHE CA C 15 57.900 57.075 0.825 1
1 193 . 20 1 1 A 15 15 PHE CB C 15 38.900 39.636 -0.736 1
1 198 . 20 1 1 A 15 15 PHE N N 15 111.800 114.037 -2.237 1
1 199 . 20 1 1 A 16 16 ASN H H 16 7.450 8.235 -0.785 1
1 200 . 20 1 1 A 16 16 ASN HA H 16 4.420 4.316 0.104 1
1 205 . 20 1 1 A 16 16 ASN C C 16 174.200 173.989 0.211 1
1 206 . 20 1 1 A 16 16 ASN CA C 16 54.100 54.142 -0.042 1
1 207 . 20 1 1 A 16 16 ASN CB C 16 36.500 37.301 -0.801 1
1 209 . 20 1 1 A 16 16 ASN N N 16 118.500 118.175 0.325 1
1 211 . 20 1 1 A 17 17 LEU H H 17 8.410 8.059 0.351 1
1 212 . 20 1 1 A 17 17 LEU HA H 17 4.630 4.574 0.056 1
1 222 . 20 1 1 A 17 17 LEU CA C 17 52.300 52.569 -0.269 1
1 223 . 20 1 1 A 17 17 LEU CB C 17 41.000 41.585 -0.585 1
1 227 . 20 1 1 A 17 17 LEU N N 17 118.700 119.965 -1.265 1
1 228 . 20 1 1 A 18 18 PRO HA H 18 4.380 4.635 -0.255 1
1 235 . 20 1 1 A 18 18 PRO C C 18 178.600 176.989 1.611 1
1 236 . 20 1 1 A 18 18 PRO CA C 18 63.100 62.800 0.300 1
1 237 . 20 1 1 A 18 18 PRO CB C 18 31.800 32.315 -0.515 1
1 240 . 20 1 1 A 19 19 ARG H H 19 8.650 8.621 0.029 1
1 241 . 20 1 1 A 19 19 ARG HA H 19 3.820 4.173 -0.353 1
1 248 . 20 1 1 A 19 19 ARG C C 19 176.500 177.001 -0.501 1
1 249 . 20 1 1 A 19 19 ARG CA C 19 58.100 58.112 -0.012 1
1 250 . 20 1 1 A 19 19 ARG CB C 19 30.300 30.202 0.098 1
1 253 . 20 1 1 A 19 19 ARG N N 19 124.600 122.316 2.284 1
1 254 . 20 1 1 A 20 20 ASP H H 20 8.390 8.027 0.363 1
1 255 . 20 1 1 A 20 20 ASP HA H 20 4.550 4.593 -0.043 1
1 258 . 20 1 1 A 20 20 ASP C C 20 175.700 175.953 -0.253 1
1 259 . 20 1 1 A 20 20 ASP CA C 20 53.000 55.220 -2.220 1
1 260 . 20 1 1 A 20 20 ASP CB C 20 40.400 40.682 -0.282 1
1 261 . 20 1 1 A 20 20 ASP N N 20 114.300 117.562 -3.262 1
1 262 . 20 1 1 A 21 21 GLU H H 21 6.780 7.128 -0.348 1
1 263 . 20 1 1 A 21 21 GLU HA H 21 4.150 4.253 -0.103 1
1 268 . 20 1 1 A 21 21 GLU C C 21 175.400 175.739 -0.339 1
1 269 . 20 1 1 A 21 21 GLU CA C 21 56.200 55.586 0.614 1
1 270 . 20 1 1 A 21 21 GLU CB C 21 31.600 30.268 1.332 1
1 272 . 20 1 1 A 21 21 GLU N N 21 121.600 121.134 0.466 1
1 273 . 20 1 1 A 22 22 LYS H H 22 8.860 8.459 0.401 1
1 274 . 20 1 1 A 22 22 LYS HA H 22 4.160 4.418 -0.258 1
1 283 . 20 1 1 A 22 22 LYS C C 22 176.100 175.986 0.114 1
1 284 . 20 1 1 A 22 22 LYS CA C 22 57.200 56.469 0.731 1
1 285 . 20 1 1 A 22 22 LYS CB C 22 33.000 33.049 -0.049 1
1 289 . 20 1 1 A 22 22 LYS N N 22 128.900 128.161 0.739 1
1 290 . 20 1 1 A 23 23 TRP H H 23 8.750 9.036 -0.286 1
1 291 . 20 1 1 A 23 23 TRP HA H 23 5.400 5.070 0.330 1
1 300 . 20 1 1 A 23 23 TRP C C 23 176.500 175.022 1.478 1
1 301 . 20 1 1 A 23 23 TRP CA C 23 54.600 56.433 -1.833 1
1 302 . 20 1 1 A 23 23 TRP CB C 23 31.100 31.862 -0.762 1
1 308 . 20 1 1 A 23 23 TRP N N 23 126.100 128.002 -1.902 1
1 310 . 20 1 1 A 24 24 GLU H H 24 9.040 8.992 0.048 1
1 311 . 20 1 1 A 24 24 GLU HA H 24 4.590 4.926 -0.336 1
1 316 . 20 1 1 A 24 24 GLU C C 24 174.100 175.763 -1.663 1
1 317 . 20 1 1 A 24 24 GLU CA C 24 54.200 54.732 -0.532 1
1 318 . 20 1 1 A 24 24 GLU CB C 24 31.600 32.448 -0.848 1
1 320 . 20 1 1 A 24 24 GLU N N 24 122.700 122.375 0.325 1
1 321 . 20 1 1 A 25 25 CYS H H 25 8.740 8.942 -0.202 1
1 322 . 20 1 1 A 25 25 CYS HA H 25 4.870 4.268 0.602 1
1 325 . 20 1 1 A 25 25 CYS C C 25 174.400 173.956 0.444 1
1 326 . 20 1 1 A 25 25 CYS CA C 25 57.200 58.774 -1.574 1
1 327 . 20 1 1 A 25 25 CYS CB C 25 30.200 28.260 1.940 1
1 328 . 20 1 1 A 25 25 CYS N N 25 119.900 126.031 -6.131 1
1 329 . 20 1 1 A 26 26 GLU H H 26 9.220 8.194 1.026 1
1 330 . 20 1 1 A 26 26 GLU HA H 26 4.740 4.879 -0.139 1
1 335 . 20 1 1 A 26 26 GLU C C 26 175.000 174.778 0.222 1
1 336 . 20 1 1 A 26 26 GLU CA C 26 55.100 55.230 -0.130 1
1 337 . 20 1 1 A 26 26 GLU CB C 26 31.700 32.595 -0.895 1
1 339 . 20 1 1 A 26 26 GLU N N 26 131.200 126.993 4.207 1
1 340 . 20 1 1 A 27 27 SER H H 27 8.900 8.815 0.085 1
1 341 . 20 1 1 A 27 27 SER HA H 27 5.750 5.609 0.141 1
1 344 . 20 1 1 A 27 27 SER C C 27 173.600 173.274 0.326 1
1 345 . 20 1 1 A 27 27 SER CA C 27 56.700 56.516 0.184 1
1 346 . 20 1 1 A 27 27 SER CB C 27 64.200 64.615 -0.415 1
1 347 . 20 1 1 A 27 27 SER N N 27 125.100 119.812 5.288 1
1 348 . 20 1 1 A 28 28 ILE H H 28 8.540 8.493 0.047 1
1 349 . 20 1 1 A 28 28 ILE HA H 28 4.680 4.808 -0.128 1
1 359 . 20 1 1 A 28 28 ILE C C 28 174.100 173.133 0.967 1
1 360 . 20 1 1 A 28 28 ILE CA C 28 59.800 59.390 0.410 1
1 361 . 20 1 1 A 28 28 ILE CB C 28 42.700 42.069 0.631 1
1 365 . 20 1 1 A 28 28 ILE N N 28 123.200 123.753 -0.553 1
1 366 . 20 1 1 A 29 29 GLU H H 29 8.430 9.032 -0.602 1
1 367 . 20 1 1 A 29 29 GLU HA H 29 5.430 4.919 0.511 1
1 372 . 20 1 1 A 29 29 GLU C C 29 176.000 175.704 0.296 1
1 373 . 20 1 1 A 29 29 GLU CA C 29 55.600 55.505 0.095 1
1 374 . 20 1 1 A 29 29 GLU CB C 29 31.200 30.981 0.219 1
1 376 . 20 1 1 A 29 29 GLU N N 29 123.900 130.251 -6.351 1
1 377 . 20 1 1 A 30 30 GLU H H 30 8.850 8.659 0.191 1
1 378 . 20 1 1 A 30 30 GLU HA H 30 4.730 4.898 -0.168 1
1 383 . 20 1 1 A 30 30 GLU C C 30 174.300 175.193 -0.893 1
1 384 . 20 1 1 A 30 30 GLU CA C 30 54.700 54.844 -0.144 1
1 385 . 20 1 1 A 30 30 GLU CB C 30 34.400 33.021 1.379 1
1 387 . 20 1 1 A 30 30 GLU N N 30 121.900 124.073 -2.173 1
1 388 . 20 1 1 A 31 31 VAL H H 31 9.260 8.780 0.480 1
1 389 . 20 1 1 A 31 31 VAL HA H 31 4.250 4.040 0.210 1
1 397 . 20 1 1 A 31 31 VAL C C 31 177.700 176.977 0.723 1
1 398 . 20 1 1 A 31 31 VAL CA C 31 62.500 63.543 -1.043 1
1 399 . 20 1 1 A 31 31 VAL CB C 31 31.800 31.745 0.055 1
1 402 . 20 1 1 A 31 31 VAL N N 31 124.500 121.623 2.877 1
1 403 . 20 1 1 A 32 32 ALA H H 32 9.250 8.889 0.361 1
1 404 . 20 1 1 A 32 32 ALA HA H 32 3.710 4.048 -0.338 1
1 408 . 20 1 1 A 32 32 ALA C C 32 178.600 179.217 -0.617 1
1 409 . 20 1 1 A 32 32 ALA CA C 32 55.800 55.903 -0.103 1
1 410 . 20 1 1 A 32 32 ALA CB C 32 19.400 18.179 1.221 1
1 411 . 20 1 1 A 32 32 ALA N N 32 129.900 128.652 1.248 1
1 412 . 20 1 1 A 33 33 ASP H H 33 9.510 8.306 1.204 1
1 413 . 20 1 1 A 33 33 ASP HA H 33 4.180 4.535 -0.355 1
1 416 . 20 1 1 A 33 33 ASP C C 33 176.300 178.147 -1.847 1
1 417 . 20 1 1 A 33 33 ASP CA C 33 54.600 56.483 -1.883 1
1 418 . 20 1 1 A 33 33 ASP CB C 33 39.200 41.375 -2.175 1
1 419 . 20 1 1 A 33 33 ASP N N 33 110.700 118.509 -7.809 1
1 420 . 20 1 1 A 34 34 ASP H H 34 7.830 8.154 -0.324 1
1 421 . 20 1 1 A 34 34 ASP HA H 34 4.650 4.370 0.280 1
1 424 . 20 1 1 A 34 34 ASP C C 34 176.300 177.546 -1.246 1
1 425 . 20 1 1 A 34 34 ASP CA C 34 55.100 57.232 -2.132 1
1 426 . 20 1 1 A 34 34 ASP CB C 34 41.000 41.288 -0.288 1
1 427 . 20 1 1 A 34 34 ASP N N 34 114.700 118.942 -4.242 1
1 428 . 20 1 1 A 35 35 ILE H H 35 7.290 7.143 0.147 1
1 429 . 20 1 1 A 35 35 ILE HA H 35 4.490 4.467 0.023 1
1 439 . 20 1 1 A 35 35 ILE C C 35 174.100 174.715 -0.615 1
1 440 . 20 1 1 A 35 35 ILE CA C 35 60.700 60.409 0.291 1
1 441 . 20 1 1 A 35 35 ILE CB C 35 40.600 39.250 1.350 1
1 445 . 20 1 1 A 35 35 ILE N N 35 113.400 110.598 2.802 1
1 446 . 20 1 1 A 36 36 LEU H H 36 7.730 8.008 -0.278 1
1 447 . 20 1 1 A 36 36 LEU HA H 36 4.800 4.796 0.004 1
1 457 . 20 1 1 A 36 36 LEU CA C 36 52.200 51.085 1.115 1
1 458 . 20 1 1 A 36 36 LEU CB C 36 42.700 43.019 -0.319 1
1 462 . 20 1 1 A 36 36 LEU N N 36 120.400 124.299 -3.899 1
1 463 . 20 1 1 A 37 37 PRO HA H 37 4.440 4.565 -0.125 1
1 470 . 20 1 1 A 37 37 PRO C C 37 177.100 177.657 -0.557 1
1 471 . 20 1 1 A 37 37 PRO CA C 37 63.100 63.201 -0.101 1
1 472 . 20 1 1 A 37 37 PRO CB C 37 32.700 32.781 -0.081 1
1 475 . 20 1 1 A 38 38 ASP H H 38 8.690 9.016 -0.326 1
1 476 . 20 1 1 A 38 38 ASP HA H 38 4.230 4.644 -0.414 1
1 479 . 20 1 1 A 38 38 ASP C C 38 177.800 177.727 0.073 1
1 480 . 20 1 1 A 38 38 ASP CA C 38 57.900 56.373 1.527 1
1 481 . 20 1 1 A 38 38 ASP CB C 38 42.200 40.690 1.510 1
1 482 . 20 1 1 A 38 38 ASP N N 38 123.800 124.632 -0.832 1
1 483 . 20 1 1 A 39 39 GLN H H 39 9.080 8.169 0.911 1
1 484 . 20 1 1 A 39 39 GLN HA H 39 3.990 4.134 -0.144 1
1 491 . 20 1 1 A 39 39 GLN C C 39 176.400 177.375 -0.975 1
1 492 . 20 1 1 A 39 39 GLN CA C 39 58.000 58.517 -0.517 1
1 493 . 20 1 1 A 39 39 GLN CB C 39 27.300 28.479 -1.179 1
1 496 . 20 1 1 A 39 39 GLN N N 39 115.100 119.014 -3.914 1
1 498 . 20 1 1 A 40 40 TYR H H 40 7.510 7.668 -0.158 1
1 499 . 20 1 1 A 40 40 TYR HA H 40 4.730 4.439 0.291 1
1 506 . 20 1 1 A 40 40 TYR C C 40 174.200 174.875 -0.675 1
1 507 . 20 1 1 A 40 40 TYR CA C 40 57.000 59.300 -2.300 1
1 508 . 20 1 1 A 40 40 TYR CB C 40 39.400 38.953 0.447 1
1 513 . 20 1 1 A 40 40 TYR N N 40 116.800 120.634 -3.834 1
1 514 . 20 1 1 A 41 41 VAL H H 41 7.370 7.185 0.185 1
1 515 . 20 1 1 A 41 41 VAL HA H 41 4.000 4.480 -0.480 1
1 523 . 20 1 1 A 41 41 VAL C C 41 175.400 174.816 0.584 1
1 524 . 20 1 1 A 41 41 VAL CA C 41 62.800 61.031 1.769 1
1 525 . 20 1 1 A 41 41 VAL CB C 41 34.300 33.854 0.446 1
1 528 . 20 1 1 A 41 41 VAL N N 41 116.100 119.571 -3.471 1
1 529 . 20 1 1 A 42 42 ARG H H 42 7.990 8.590 -0.600 1
1 530 . 20 1 1 A 42 42 ARG HA H 42 3.970 4.640 -0.670 1
1 537 . 20 1 1 A 42 42 ARG C C 42 176.600 175.491 1.109 1
1 538 . 20 1 1 A 42 42 ARG CA C 42 58.500 55.265 3.235 1
1 539 . 20 1 1 A 42 42 ARG CB C 42 29.700 30.222 -0.522 1
1 542 . 20 1 1 A 42 42 ARG N N 42 120.900 125.263 -4.363 1
1 543 . 20 1 1 A 43 43 LEU H H 43 8.930 8.167 0.763 1
1 544 . 20 1 1 A 43 43 LEU HA H 43 4.060 4.404 -0.344 1
1 554 . 20 1 1 A 43 43 LEU C C 43 176.200 176.865 -0.665 1
1 555 . 20 1 1 A 43 43 LEU CA C 43 56.100 54.342 1.758 1
1 556 . 20 1 1 A 43 43 LEU CB C 43 40.100 41.827 -1.727 1
1 560 . 20 1 1 A 43 43 LEU N N 43 119.500 121.002 -1.502 1
1 561 . 20 1 1 A 44 44 GLY H H 44 7.890 8.100 -0.210 1
1 562 . 20 1 1 A 44 44 GLY HA2 H 44 3.930 3.937 -0.007 1
1 563 . 20 1 1 A 44 44 GLY HA3 H 44 4.540 3.988 0.552 1
1 564 . 20 1 1 A 44 44 GLY CA C 44 44.900 44.204 0.696 1
1 565 . 20 1 1 A 44 44 GLY N N 44 107.000 108.505 -1.505 1
1 566 . 20 1 1 A 45 45 PRO HA H 45 4.360 4.320 0.040 1
1 573 . 20 1 1 A 45 45 PRO C C 45 176.900 178.179 -1.279 1
1 574 . 20 1 1 A 45 45 PRO CA C 45 64.400 65.047 -0.647 1
1 575 . 20 1 1 A 45 45 PRO CB C 45 31.900 31.549 0.351 1
1 578 . 20 1 1 A 46 46 LEU H H 46 8.660 7.856 0.804 1
1 579 . 20 1 1 A 46 46 LEU HA H 46 3.970 4.217 -0.247 1
1 589 . 20 1 1 A 46 46 LEU C C 46 176.300 176.432 -0.132 1
1 590 . 20 1 1 A 46 46 LEU CA C 46 55.900 54.870 1.030 1
1 591 . 20 1 1 A 46 46 LEU CB C 46 43.500 41.458 2.042 1
1 595 . 20 1 1 A 46 46 LEU N N 46 117.000 116.231 0.769 1
1 596 . 20 1 1 A 47 47 SER H H 47 7.160 7.655 -0.495 1
1 597 . 20 1 1 A 47 47 SER HA H 47 4.080 4.317 -0.237 1
1 600 . 20 1 1 A 47 47 SER C C 47 176.600 174.552 2.048 1
1 601 . 20 1 1 A 47 47 SER CA C 47 59.100 58.614 0.486 1
1 602 . 20 1 1 A 47 47 SER CB C 47 62.800 63.047 -0.247 1
1 603 . 20 1 1 A 47 47 SER N N 47 110.300 115.043 -4.743 1
1 604 . 20 1 1 A 48 48 ASN H H 48 11.000 8.854 2.146 1
1 605 . 20 1 1 A 48 48 ASN HA H 48 4.090 4.418 -0.328 1
1 610 . 20 1 1 A 48 48 ASN C C 48 174.700 174.861 -0.161 1
1 611 . 20 1 1 A 48 48 ASN CA C 48 55.200 54.041 1.159 1
1 612 . 20 1 1 A 48 48 ASN CB C 48 38.300 36.358 1.942 1
1 614 . 20 1 1 A 48 48 ASN N N 48 123.200 121.924 1.276 1
1 616 . 20 1 1 A 49 49 LYS H H 49 7.830 7.737 0.093 1
1 617 . 20 1 1 A 49 49 LYS HA H 49 4.360 4.459 -0.099 1
1 626 . 20 1 1 A 49 49 LYS C C 49 175.100 175.960 -0.860 1
1 627 . 20 1 1 A 49 49 LYS CA C 49 56.100 55.785 0.315 1
1 628 . 20 1 1 A 49 49 LYS CB C 49 33.200 33.714 -0.514 1
1 632 . 20 1 1 A 49 49 LYS N N 49 119.400 121.781 -2.381 1
1 633 . 20 1 1 A 50 50 ILE H H 50 8.570 8.643 -0.073 1
1 634 . 20 1 1 A 50 50 ILE HA H 50 4.160 4.431 -0.271 1
1 644 . 20 1 1 A 50 50 ILE C C 50 175.000 175.424 -0.424 1
1 645 . 20 1 1 A 50 50 ILE CA C 50 61.200 60.344 0.856 1
1 646 . 20 1 1 A 50 50 ILE CB C 50 36.900 37.232 -0.332 1
1 650 . 20 1 1 A 50 50 ILE N N 50 123.000 126.609 -3.609 1
1 651 . 20 1 1 A 51 51 LEU H H 51 9.270 8.635 0.635 1
1 652 . 20 1 1 A 51 51 LEU HA H 51 5.170 5.220 -0.050 1
1 662 . 20 1 1 A 51 51 LEU C C 51 176.300 175.982 0.318 1
1 663 . 20 1 1 A 51 51 LEU CA C 51 52.500 53.400 -0.900 1
1 664 . 20 1 1 A 51 51 LEU CB C 51 42.600 44.995 -2.395 1
1 668 . 20 1 1 A 51 51 LEU N N 51 127.000 128.793 -1.793 1
1 669 . 20 1 1 A 52 52 GLN H H 52 9.110 8.358 0.752 1
1 670 . 20 1 1 A 52 52 GLN HA H 52 4.590 4.728 -0.138 1
1 677 . 20 1 1 A 52 52 GLN C C 52 175.000 175.697 -0.697 1
1 678 . 20 1 1 A 52 52 GLN CA C 52 56.800 56.030 0.770 1
1 679 . 20 1 1 A 52 52 GLN CB C 52 29.200 29.477 -0.277 1
1 682 . 20 1 1 A 52 52 GLN N N 52 122.700 122.484 0.216 1
1 684 . 20 1 1 A 53 53 THR H H 53 9.110 8.543 0.567 1
1 685 . 20 1 1 A 53 53 THR HA H 53 4.730 5.087 -0.357 1
1 690 . 20 1 1 A 53 53 THR C C 53 172.500 173.618 -1.118 1
1 691 . 20 1 1 A 53 53 THR CA C 53 60.500 60.765 -0.265 1
1 692 . 20 1 1 A 53 53 THR CB C 53 69.800 69.883 -0.083 1
1 694 . 20 1 1 A 53 53 THR N N 53 121.500 116.616 4.884 1
1 695 . 20 1 1 A 54 54 ASN H H 54 8.210 9.140 -0.930 1
1 696 . 20 1 1 A 54 54 ASN HA H 54 5.400 5.407 -0.007 1
1 701 . 20 1 1 A 54 54 ASN C C 54 172.900 174.144 -1.244 1
1 702 . 20 1 1 A 54 54 ASN CA C 54 52.400 52.493 -0.093 1
1 703 . 20 1 1 A 54 54 ASN CB C 54 40.900 39.187 1.713 1
1 705 . 20 1 1 A 54 54 ASN N N 54 125.400 125.117 0.283 1
1 707 . 20 1 1 A 55 55 THR H H 55 8.510 8.941 -0.431 1
1 708 . 20 1 1 A 55 55 THR HA H 55 5.120 4.934 0.186 1
1 713 . 20 1 1 A 55 55 THR C C 55 172.800 173.665 -0.865 1
1 714 . 20 1 1 A 55 55 THR CA C 55 61.400 62.410 -1.010 1
1 715 . 20 1 1 A 55 55 THR CB C 55 69.700 69.957 -0.257 1
1 717 . 20 1 1 A 55 55 THR N N 55 119.300 122.123 -2.823 1
1 718 . 20 1 1 A 56 56 TYR H H 56 8.460 9.263 -0.803 1
1 719 . 20 1 1 A 56 56 TYR HA H 56 5.260 5.767 -0.507 1
1 726 . 20 1 1 A 56 56 TYR C C 56 173.400 175.222 -1.822 1
1 727 . 20 1 1 A 56 56 TYR CA C 56 57.500 56.252 1.248 1
1 728 . 20 1 1 A 56 56 TYR CB C 56 41.400 40.941 0.459 1
1 733 . 20 1 1 A 56 56 TYR N N 56 125.400 126.144 -0.744 1
1 734 . 20 1 1 A 57 57 TYR H H 57 8.450 8.489 -0.039 1
1 735 . 20 1 1 A 57 57 TYR HA H 57 4.530 5.795 -1.265 1
1 742 . 20 1 1 A 57 57 TYR C C 57 172.400 173.625 -1.225 1
1 743 . 20 1 1 A 57 57 TYR CA C 57 56.600 56.135 0.465 1
1 744 . 20 1 1 A 57 57 TYR CB C 57 41.700 41.943 -0.243 1
1 749 . 20 1 1 A 57 57 TYR N N 57 113.900 120.748 -6.848 1
1 750 . 20 1 1 A 58 58 SER H H 58 7.100 8.637 -1.537 1
1 751 . 20 1 1 A 58 58 SER HA H 58 4.750 4.856 -0.106 1
1 754 . 20 1 1 A 58 58 SER C C 58 173.800 174.642 -0.842 1
1 755 . 20 1 1 A 58 58 SER CA C 58 56.600 56.446 0.154 1
1 756 . 20 1 1 A 58 58 SER CB C 58 65.600 66.329 -0.729 1
1 757 . 20 1 1 A 58 58 SER N N 58 114.200 114.805 -0.605 1
1 758 . 20 1 1 A 59 59 ASP H H 59 9.140 8.981 0.159 1
1 759 . 20 1 1 A 59 59 ASP HA H 59 4.550 4.385 0.165 1
1 762 . 20 1 1 A 59 59 ASP C C 59 179.000 178.485 0.515 1
1 763 . 20 1 1 A 59 59 ASP CA C 59 58.500 57.603 0.897 1
1 764 . 20 1 1 A 59 59 ASP CB C 59 40.400 40.331 0.069 1
1 765 . 20 1 1 A 59 59 ASP N N 59 121.800 120.202 1.598 1
1 766 . 20 1 1 A 60 60 THR H H 60 9.060 7.622 1.438 1
1 767 . 20 1 1 A 60 60 THR HA H 60 4.000 3.984 0.016 1
1 772 . 20 1 1 A 60 60 THR C C 60 178.000 176.437 1.563 1
1 773 . 20 1 1 A 60 60 THR CA C 60 67.300 67.443 -0.143 1
1 774 . 20 1 1 A 60 60 THR CB C 60 67.300 68.306 -1.006 1
1 776 . 20 1 1 A 60 60 THR N N 60 114.800 117.157 -2.357 1
1 777 . 20 1 1 A 61 61 LEU H H 61 7.950 7.827 0.123 1
1 778 . 20 1 1 A 61 61 LEU HA H 61 3.610 3.843 -0.233 1
1 788 . 20 1 1 A 61 61 LEU C C 61 178.900 179.054 -0.154 1
1 789 . 20 1 1 A 61 61 LEU CA C 61 58.600 57.837 0.763 1
1 790 . 20 1 1 A 61 61 LEU CB C 61 39.500 41.976 -2.476 1
1 794 . 20 1 1 A 61 61 LEU N N 61 126.100 120.782 5.318 1
1 795 . 20 1 1 A 62 62 HIS H H 62 8.260 8.621 -0.361 1
1 796 . 20 1 1 A 62 62 HIS HA H 62 4.470 3.748 0.722 1
1 800 . 20 1 1 A 62 62 HIS C C 62 178.900 176.796 2.104 1
1 801 . 20 1 1 A 62 62 HIS CA C 62 58.600 60.409 -1.809 1
1 802 . 20 1 1 A 62 62 HIS CB C 62 29.500 30.128 -0.628 1
1 804 . 20 1 1 A 62 62 HIS N N 62 116.000 117.824 -1.824 1
1 805 . 20 1 1 A 63 63 LYS H H 63 7.790 8.290 -0.500 1
1 806 . 20 1 1 A 63 63 LYS HA H 63 3.960 4.044 -0.084 1
1 815 . 20 1 1 A 63 63 LYS C C 63 177.900 178.487 -0.587 1
1 816 . 20 1 1 A 63 63 LYS CA C 63 59.200 59.388 -0.188 1
1 817 . 20 1 1 A 63 63 LYS CB C 63 32.400 32.235 0.165 1
1 821 . 20 1 1 A 63 63 LYS N N 63 119.100 119.825 -0.725 1
1 822 . 20 1 1 A 64 64 SER H H 64 7.580 7.692 -0.112 1
1 823 . 20 1 1 A 64 64 SER HA H 64 4.260 4.506 -0.246 1
1 826 . 20 1 1 A 64 64 SER C C 64 172.100 173.532 -1.432 1
1 827 . 20 1 1 A 64 64 SER CA C 64 59.300 58.296 1.004 1
1 828 . 20 1 1 A 64 64 SER CB C 64 63.600 63.305 0.295 1
1 829 . 20 1 1 A 64 64 SER N N 64 112.470 112.094 0.376 1
1 830 . 20 1 1 A 65 65 ASN H H 65 7.760 7.926 -0.166 1
1 831 . 20 1 1 A 65 65 ASN HA H 65 3.870 4.181 -0.311 1
1 836 . 20 1 1 A 65 65 ASN C C 65 171.100 173.526 -2.426 1
1 837 . 20 1 1 A 65 65 ASN CA C 65 54.300 54.187 0.113 1
1 838 . 20 1 1 A 65 65 ASN CB C 65 37.500 37.209 0.291 1
1 840 . 20 1 1 A 65 65 ASN N N 65 117.600 118.112 -0.512 1
1 842 . 20 1 1 A 66 66 ILE H H 66 6.820 7.403 -0.583 1
1 843 . 20 1 1 A 66 66 ILE HA H 66 4.590 4.696 -0.106 1
1 853 . 20 1 1 A 66 66 ILE C C 66 174.000 173.909 0.091 1
1 854 . 20 1 1 A 66 66 ILE CA C 66 58.200 60.025 -1.825 1
1 855 . 20 1 1 A 66 66 ILE CB C 66 40.200 40.334 -0.134 1
1 859 . 20 1 1 A 66 66 ILE N N 66 113.900 119.048 -5.148 1
1 860 . 20 1 1 A 67 67 TYR H H 67 8.530 8.216 0.314 1
1 861 . 20 1 1 A 67 67 TYR HA H 67 5.050 5.354 -0.304 1
1 868 . 20 1 1 A 67 67 TYR CA C 67 54.000 54.879 -0.879 1
1 869 . 20 1 1 A 67 67 TYR CB C 67 39.400 39.035 0.365 1
1 874 . 20 1 1 A 67 67 TYR N N 67 120.200 125.305 -5.105 1
1 875 . 20 1 1 A 68 68 PRO HA H 68 5.120 5.177 -0.057 1
1 882 . 20 1 1 A 68 68 PRO C C 68 174.600 176.901 -2.301 1
1 883 . 20 1 1 A 68 68 PRO CA C 68 61.500 62.541 -1.041 1
1 884 . 20 1 1 A 68 68 PRO CB C 68 32.200 32.413 -0.213 1
1 887 . 20 1 1 A 69 69 PHE H H 69 8.870 8.560 0.310 1
1 888 . 20 1 1 A 69 69 PHE HA H 69 6.330 5.278 1.052 1
1 896 . 20 1 1 A 69 69 PHE C C 69 173.000 172.494 0.506 1
1 897 . 20 1 1 A 69 69 PHE CA C 69 56.300 56.312 -0.012 1
1 898 . 20 1 1 A 69 69 PHE CB C 69 42.900 41.830 1.070 1
1 903 . 20 1 1 A 69 69 PHE N N 69 118.400 118.314 0.086 1
1 904 . 20 1 1 A 70 70 ILE H H 70 9.060 8.795 0.265 1
1 905 . 20 1 1 A 70 70 ILE HA H 70 4.840 4.765 0.075 1
1 915 . 20 1 1 A 70 70 ILE C C 70 175.700 174.711 0.989 1
1 916 . 20 1 1 A 70 70 ILE CA C 70 61.900 59.496 2.404 1
1 917 . 20 1 1 A 70 70 ILE CB C 70 43.000 41.921 1.079 1
1 921 . 20 1 1 A 70 70 ILE N N 70 117.700 120.330 -2.630 1
1 922 . 20 1 1 A 71 71 LEU H H 71 9.320 8.480 0.840 1
1 923 . 20 1 1 A 71 71 LEU HA H 71 5.720 5.142 0.578 1
1 933 . 20 1 1 A 71 71 LEU C C 71 175.600 175.580 0.020 1
1 934 . 20 1 1 A 71 71 LEU CA C 71 52.400 54.213 -1.813 1
1 935 . 20 1 1 A 71 71 LEU CB C 71 43.700 43.571 0.129 1
1 939 . 20 1 1 A 71 71 LEU N N 71 124.800 125.940 -1.140 1
1 940 . 20 1 1 A 72 72 TYR H H 72 9.250 9.007 0.243 1
1 941 . 20 1 1 A 72 72 TYR HA H 72 5.350 5.254 0.096 1
1 948 . 20 1 1 A 72 72 TYR C C 72 174.100 174.691 -0.591 1
1 949 . 20 1 1 A 72 72 TYR CA C 72 57.300 56.871 0.429 1
1 950 . 20 1 1 A 72 72 TYR CB C 72 44.500 42.299 2.201 1
1 955 . 20 1 1 A 72 72 TYR N N 72 120.700 121.632 -0.932 1
1 956 . 20 1 1 A 73 73 TYR H H 73 9.250 9.572 -0.322 1
1 957 . 20 1 1 A 73 73 TYR HA H 73 5.110 5.003 0.107 1
1 964 . 20 1 1 A 73 73 TYR C C 73 174.500 174.958 -0.458 1
1 965 . 20 1 1 A 73 73 TYR CA C 73 56.500 57.680 -1.180 1
1 966 . 20 1 1 A 73 73 TYR CB C 73 40.400 41.751 -1.351 1
1 971 . 20 1 1 A 73 73 TYR N N 73 120.300 123.945 -3.645 1
1 972 . 20 1 1 A 74 74 GLN H H 74 9.310 9.055 0.255 1
1 973 . 20 1 1 A 74 74 GLN HA H 74 3.530 3.748 -0.218 1
1 980 . 20 1 1 A 74 74 GLN C C 74 175.400 174.892 0.508 1
1 981 . 20 1 1 A 74 74 GLN CA C 74 57.200 56.516 0.684 1
1 982 . 20 1 1 A 74 74 GLN CB C 74 25.500 27.157 -1.657 1
1 985 . 20 1 1 A 74 74 GLN N N 74 126.000 126.780 -0.780 1
1 987 . 20 1 1 A 75 75 LYS H H 75 8.530 8.513 0.017 1
1 988 . 20 1 1 A 75 75 LYS HA H 75 3.820 3.929 -0.109 1
1 997 . 20 1 1 A 75 75 LYS C C 75 175.500 175.349 0.151 1
1 998 . 20 1 1 A 75 75 LYS CA C 75 57.300 57.445 -0.145 1
1 999 . 20 1 1 A 75 75 LYS CB C 75 30.900 31.324 -0.424 1
1 1003 . 20 1 1 A 75 75 LYS N N 75 113.600 118.370 -4.770 1
1 1004 . 20 1 1 A 76 76 GLN H H 76 8.550 7.827 0.723 1
1 1005 . 20 1 1 A 76 76 GLN HA H 76 4.470 4.862 -0.392 1
1 1012 . 20 1 1 A 76 76 GLN C C 76 175.400 174.256 1.144 1
1 1013 . 20 1 1 A 76 76 GLN CA C 76 54.700 55.170 -0.470 1
1 1014 . 20 1 1 A 76 76 GLN CB C 76 29.900 31.652 -1.752 1
1 1017 . 20 1 1 A 76 76 GLN N N 76 122.200 118.369 3.831 1
1 1019 . 20 1 1 A 77 77 LEU H H 77 8.860 8.823 0.037 1
1 1020 . 20 1 1 A 77 77 LEU HA H 77 3.940 4.553 -0.613 1
1 1030 . 20 1 1 A 77 77 LEU C C 77 175.300 176.870 -1.570 1
1 1031 . 20 1 1 A 77 77 LEU CA C 77 56.800 55.150 1.650 1
1 1032 . 20 1 1 A 77 77 LEU CB C 77 41.800 42.699 -0.899 1
1 1036 . 20 1 1 A 77 77 LEU N N 77 128.900 122.422 6.478 1
1 1037 . 20 1 1 A 78 78 ILE H H 78 8.880 8.747 0.133 1
1 1038 . 20 1 1 A 78 78 ILE HA H 78 4.810 4.268 0.542 1
1 1048 . 20 1 1 A 78 78 ILE C C 78 174.600 175.997 -1.397 1
1 1049 . 20 1 1 A 78 78 ILE CA C 78 58.300 62.401 -4.101 1
1 1050 . 20 1 1 A 78 78 ILE CB C 78 38.270 39.134 -0.864 1
1 1054 . 20 1 1 A 78 78 ILE N N 78 126.900 121.953 4.947 1
1 1055 . 20 1 1 A 79 79 ALA H H 79 7.940 7.503 0.437 1
1 1056 . 20 1 1 A 79 79 ALA HA H 79 5.390 4.781 0.609 1
1 1060 . 20 1 1 A 79 79 ALA C C 79 175.300 175.140 0.160 1
1 1061 . 20 1 1 A 79 79 ALA CA C 79 51.600 51.712 -0.112 1
1 1062 . 20 1 1 A 79 79 ALA CB C 79 24.000 22.785 1.215 1
1 1063 . 20 1 1 A 79 79 ALA N N 79 115.000 118.797 -3.797 1
1 1064 . 20 1 1 A 80 80 ILE H H 80 8.580 8.503 0.077 1
1 1065 . 20 1 1 A 80 80 ILE HA H 80 4.840 5.020 -0.180 1
1 1075 . 20 1 1 A 80 80 ILE C C 80 175.000 175.718 -0.718 1
1 1076 . 20 1 1 A 80 80 ILE CA C 80 60.300 59.517 0.783 1
1 1077 . 20 1 1 A 80 80 ILE CB C 80 42.800 41.944 0.856 1
1 1081 . 20 1 1 A 80 80 ILE N N 80 117.900 120.002 -2.102 1
1 1082 . 20 1 1 A 81 81 GLY H H 81 8.200 7.468 0.732 1
1 1083 . 20 1 1 A 81 81 GLY HA2 H 81 3.750 3.689 0.061 1
1 1084 . 20 1 1 A 81 81 GLY HA3 H 81 4.070 4.013 0.057 1
1 1085 . 20 1 1 A 81 81 GLY C C 81 169.100 171.574 -2.474 1
1 1086 . 20 1 1 A 81 81 GLY CA C 81 46.600 45.231 1.369 1
1 1087 . 20 1 1 A 81 81 GLY N N 81 116.400 111.731 4.669 1
1 1088 . 20 1 1 A 82 82 PHE H H 82 8.210 8.292 -0.082 1
1 1089 . 20 1 1 A 82 82 PHE HA H 82 5.340 5.359 -0.019 1
1 1094 . 20 1 1 A 82 82 PHE C C 82 172.400 172.214 0.186 1
1 1095 . 20 1 1 A 82 82 PHE CA C 82 56.300 55.896 0.404 1
1 1096 . 20 1 1 A 82 82 PHE CB C 82 40.100 41.827 -1.727 1
1 1099 . 20 1 1 A 82 82 PHE N N 82 114.500 113.938 0.562 1
1 1100 . 20 1 1 A 83 83 ILE H H 83 8.490 9.205 -0.715 1
1 1101 . 20 1 1 A 83 83 ILE HA H 83 4.740 4.785 -0.045 1
1 1111 . 20 1 1 A 83 83 ILE C C 83 175.200 175.671 -0.471 1
1 1112 . 20 1 1 A 83 83 ILE CA C 83 60.400 60.337 0.063 1
1 1113 . 20 1 1 A 83 83 ILE CB C 83 39.500 39.363 0.137 1
1 1117 . 20 1 1 A 83 83 ILE N N 83 123.400 120.968 2.432 1
1 1118 . 20 1 1 A 84 84 ASP H H 84 8.550 8.758 -0.208 1
1 1119 . 20 1 1 A 84 84 ASP HA H 84 5.170 5.120 0.050 1
1 1122 . 20 1 1 A 84 84 ASP C C 84 178.600 177.850 0.750 1
1 1123 . 20 1 1 A 84 84 ASP CA C 84 52.200 52.048 0.152 1
1 1124 . 20 1 1 A 84 84 ASP CB C 84 42.400 42.128 0.272 1
1 1125 . 20 1 1 A 84 84 ASP N N 84 126.900 127.976 -1.076 1
1 1126 . 20 1 1 A 85 85 GLU H H 85 9.250 8.740 0.510 1
1 1127 . 20 1 1 A 85 85 GLU HA H 85 4.350 3.965 0.385 1
1 1132 . 20 1 1 A 85 85 GLU C C 85 176.800 177.704 -0.904 1
1 1133 . 20 1 1 A 85 85 GLU CA C 85 58.400 59.112 -0.712 1
1 1134 . 20 1 1 A 85 85 GLU CB C 85 28.700 29.243 -0.543 1
1 1136 . 20 1 1 A 85 85 GLU N N 85 118.000 118.019 -0.019 1
1 1137 . 20 1 1 A 86 86 ASN H H 86 8.280 8.013 0.267 1
1 1138 . 20 1 1 A 86 86 ASN HA H 86 4.760 4.989 -0.229 1
1 1143 . 20 1 1 A 86 86 ASN C C 86 174.600 174.386 0.214 1
1 1144 . 20 1 1 A 86 86 ASN CA C 86 52.800 53.084 -0.284 1
1 1145 . 20 1 1 A 86 86 ASN CB C 86 38.900 38.792 0.108 1
1 1147 . 20 1 1 A 86 86 ASN N N 86 118.300 115.788 2.512 1
1 1149 . 20 1 1 A 87 87 HIS H H 87 8.570 8.297 0.273 1
1 1150 . 20 1 1 A 87 87 HIS HA H 87 3.940 4.223 -0.283 1
1 1154 . 20 1 1 A 87 87 HIS C C 87 173.600 173.360 0.240 1
1 1155 . 20 1 1 A 87 87 HIS CA C 87 57.000 57.149 -0.149 1
1 1156 . 20 1 1 A 87 87 HIS CB C 87 26.700 27.006 -0.306 1
1 1158 . 20 1 1 A 87 87 HIS N N 87 114.000 115.011 -1.011 1
1 1159 . 20 1 1 A 88 88 ASP H H 88 8.210 7.495 0.715 1
1 1160 . 20 1 1 A 88 88 ASP HA H 88 4.840 4.682 0.158 1
1 1163 . 20 1 1 A 88 88 ASP C C 88 174.800 175.538 -0.738 1
1 1164 . 20 1 1 A 88 88 ASP CA C 88 53.900 53.871 0.029 1
1 1165 . 20 1 1 A 88 88 ASP CB C 88 41.500 41.249 0.251 1
1 1166 . 20 1 1 A 88 88 ASP N N 88 120.300 120.465 -0.165 1
1 1167 . 20 1 1 A 89 89 MET H H 89 8.550 8.665 -0.115 1
1 1168 . 20 1 1 A 89 89 MET HA H 89 4.450 4.410 0.040 1
1 1176 . 20 1 1 A 89 89 MET C C 89 173.400 175.187 -1.787 1
1 1177 . 20 1 1 A 89 89 MET CA C 89 55.800 54.046 1.754 1
1 1178 . 20 1 1 A 89 89 MET CB C 89 34.700 31.029 3.671 1
1 1181 . 20 1 1 A 89 89 MET N N 89 120.400 125.423 -5.023 1
1 1182 . 20 1 1 A 90 90 ASP H H 90 8.420 8.032 0.388 1
1 1183 . 20 1 1 A 90 90 ASP HA H 90 4.580 4.478 0.102 1
1 1186 . 20 1 1 A 90 90 ASP C C 90 174.600 175.979 -1.379 1
1 1187 . 20 1 1 A 90 90 ASP CA C 90 52.300 54.030 -1.730 1
1 1188 . 20 1 1 A 90 90 ASP CB C 90 41.800 40.290 1.510 1
1 1189 . 20 1 1 A 90 90 ASP N N 90 126.900 123.905 2.995 1
1 1190 . 20 1 1 A 91 91 PHE H H 91 8.350 9.106 -0.756 1
1 1191 . 20 1 1 A 91 91 PHE HA H 91 4.780 5.036 -0.256 1
1 1199 . 20 1 1 A 91 91 PHE C C 91 175.600 175.453 0.147 1
1 1200 . 20 1 1 A 91 91 PHE CA C 91 58.200 55.587 2.613 1
1 1201 . 20 1 1 A 91 91 PHE CB C 91 41.400 41.205 0.195 1
1 1207 . 20 1 1 A 91 91 PHE N N 91 118.600 121.739 -3.139 1
1 1208 . 20 1 1 A 92 92 LEU H H 92 9.060 8.545 0.515 1
1 1209 . 20 1 1 A 92 92 LEU HA H 92 4.330 4.504 -0.174 1
1 1219 . 20 1 1 A 92 92 LEU C C 92 175.700 175.621 0.079 1
1 1220 . 20 1 1 A 92 92 LEU CA C 92 55.200 56.398 -1.198 1
1 1221 . 20 1 1 A 92 92 LEU CB C 92 43.500 44.362 -0.862 1
1 1225 . 20 1 1 A 92 92 LEU N N 92 121.100 126.567 -5.467 1
1 1226 . 20 1 1 A 93 93 TYR H H 93 7.970 7.613 0.357 1
1 1227 . 20 1 1 A 93 93 TYR HA H 93 4.780 4.866 -0.086 1
1 1234 . 20 1 1 A 93 93 TYR C C 93 172.800 173.029 -0.229 1
1 1235 . 20 1 1 A 93 93 TYR CA C 93 57.600 58.049 -0.449 1
1 1236 . 20 1 1 A 93 93 TYR CB C 93 42.500 41.020 1.480 1
1 1241 . 20 1 1 A 93 93 TYR N N 93 118.600 118.206 0.394 1
1 1242 . 20 1 1 A 94 94 LEU H H 94 8.220 8.714 -0.494 1
1 1243 . 20 1 1 A 94 94 LEU HA H 94 5.060 5.008 0.052 1
1 1253 . 20 1 1 A 94 94 LEU C C 94 171.900 174.588 -2.688 1
1 1254 . 20 1 1 A 94 94 LEU CA C 94 55.100 53.212 1.888 1
1 1255 . 20 1 1 A 94 94 LEU CB C 94 44.800 44.886 -0.086 1
1 1259 . 20 1 1 A 94 94 LEU N N 94 128.600 129.862 -1.262 1
1 1260 . 20 1 1 A 95 95 HIS H H 95 9.720 8.431 1.289 1
1 1261 . 20 1 1 A 95 95 HIS HA H 95 4.570 4.997 -0.427 1
1 1266 . 20 1 1 A 95 95 HIS C C 95 173.100 173.063 0.037 1
1 1267 . 20 1 1 A 95 95 HIS CA C 95 55.500 54.256 1.244 1
1 1268 . 20 1 1 A 95 95 HIS CB C 95 35.900 32.734 3.166 1
1 1271 . 20 1 1 A 95 95 HIS N N 95 133.000 126.159 6.841 1
1 1272 . 20 1 1 A 96 96 ASN H H 96 7.670 8.501 -0.831 1
1 1273 . 20 1 1 A 96 96 ASN HA H 96 4.930 4.954 -0.024 1
1 1278 . 20 1 1 A 96 96 ASN C C 96 176.100 176.730 -0.630 1
1 1279 . 20 1 1 A 96 96 ASN CA C 96 51.000 52.983 -1.983 1
1 1280 . 20 1 1 A 96 96 ASN CB C 96 38.500 39.882 -1.382 1
1 1281 . 20 1 1 A 96 96 ASN N N 96 118.600 126.925 -8.325 1
1 1283 . 20 1 1 A 97 97 THR H H 97 10.580 8.928 1.652 1
1 1284 . 20 1 1 A 97 97 THR HA H 97 4.090 3.963 0.127 1
1 1289 . 20 1 1 A 97 97 THR C C 97 174.600 176.022 -1.422 1
1 1290 . 20 1 1 A 97 97 THR CA C 97 67.000 65.624 1.376 1
1 1291 . 20 1 1 A 97 97 THR CB C 97 68.300 68.323 -0.023 1
1 1293 . 20 1 1 A 97 97 THR N N 97 116.300 117.473 -1.173 1
1 1294 . 20 1 1 A 98 98 VAL H H 98 8.440 7.566 0.874 1
1 1295 . 20 1 1 A 98 98 VAL HA H 98 4.180 3.997 0.183 1
1 1303 . 20 1 1 A 98 98 VAL C C 98 174.800 176.304 -1.504 1
1 1304 . 20 1 1 A 98 98 VAL CA C 98 64.400 64.443 -0.043 1
1 1305 . 20 1 1 A 98 98 VAL CB C 98 33.100 32.298 0.802 1
1 1308 . 20 1 1 A 98 98 VAL N N 98 123.900 121.497 2.403 1
1 1309 . 20 1 1 A 99 99 MET H H 99 8.590 7.754 0.836 1
1 1310 . 20 1 1 A 99 99 MET HA H 99 4.720 4.834 -0.114 1
1 1318 . 20 1 1 A 99 99 MET CA C 99 52.400 53.154 -0.754 1
1 1319 . 20 1 1 A 99 99 MET CB C 99 34.100 34.957 -0.857 1
1 1322 . 20 1 1 A 99 99 MET N N 99 118.700 115.622 3.078 1
1 1323 . 20 1 1 A 100 100 PRO HA H 100 4.210 4.410 -0.200 1
1 1330 . 20 1 1 A 100 100 PRO C C 100 175.900 176.945 -1.045 1
1 1331 . 20 1 1 A 100 100 PRO CA C 100 62.100 62.695 -0.595 1
1 1332 . 20 1 1 A 100 100 PRO CB C 100 31.000 32.187 -1.187 1
1 1335 . 20 1 1 A 101 101 LEU H H 101 9.010 8.568 0.442 1
1 1336 . 20 1 1 A 101 101 LEU HA H 101 4.310 4.341 -0.031 1
1 1346 . 20 1 1 A 101 101 LEU C C 101 176.900 176.548 0.352 1
1 1347 . 20 1 1 A 101 101 LEU CA C 101 55.000 55.676 -0.676 1
1 1348 . 20 1 1 A 101 101 LEU CB C 101 42.800 42.847 -0.047 1
1 1352 . 20 1 1 A 101 101 LEU N N 101 124.000 120.851 3.149 1
1 1353 . 20 1 1 A 102 102 LEU H H 102 7.620 7.532 0.088 1
1 1354 . 20 1 1 A 102 102 LEU HA H 102 4.360 4.440 -0.080 1
1 1364 . 20 1 1 A 102 102 LEU C C 102 174.800 176.210 -1.410 1
1 1365 . 20 1 1 A 102 102 LEU CA C 102 54.900 55.741 -0.841 1
1 1366 . 20 1 1 A 102 102 LEU CB C 102 45.300 43.197 2.103 1
1 1370 . 20 1 1 A 102 102 LEU N N 102 119.000 117.074 1.926 1
1 1371 . 20 1 1 A 103 103 ASP H H 103 9.120 7.811 1.309 1
1 1372 . 20 1 1 A 103 103 ASP HA H 103 5.100 4.059 1.041 1
1 1375 . 20 1 1 A 103 103 ASP C C 103 174.500 175.367 -0.867 1
1 1376 . 20 1 1 A 103 103 ASP CA C 103 54.900 55.093 -0.193 1
1 1377 . 20 1 1 A 103 103 ASP CB C 103 41.000 39.243 1.757 1
1 1378 . 20 1 1 A 103 103 ASP N N 103 120.700 116.386 4.314 1
1 1379 . 20 1 1 A 104 104 GLN H H 104 8.990 8.163 0.827 1
1 1380 . 20 1 1 A 104 104 GLN HA H 104 4.710 4.342 0.368 1
1 1387 . 20 1 1 A 104 104 GLN C C 104 176.100 176.137 -0.037 1
1 1388 . 20 1 1 A 104 104 GLN CA C 104 54.100 56.027 -1.927 1
1 1389 . 20 1 1 A 104 104 GLN CB C 104 28.500 29.233 -0.733 1
1 1392 . 20 1 1 A 104 104 GLN N N 104 125.400 118.394 7.006 1
1 1394 . 20 1 1 A 105 105 ARG H H 105 8.380 8.706 -0.326 1
1 1395 . 20 1 1 A 105 105 ARG HA H 105 3.510 3.834 -0.324 1
1 1402 . 20 1 1 A 105 105 ARG C C 105 177.500 177.894 -0.394 1
1 1403 . 20 1 1 A 105 105 ARG CA C 105 60.200 58.762 1.438 1
1 1404 . 20 1 1 A 105 105 ARG CB C 105 29.400 29.544 -0.144 1
1 1407 . 20 1 1 A 105 105 ARG N N 105 117.700 126.781 -9.081 1
1 1408 . 20 1 1 A 106 106 TYR H H 106 7.800 7.614 0.186 1
1 1409 . 20 1 1 A 106 106 TYR HA H 106 4.360 4.397 -0.037 1
1 1416 . 20 1 1 A 106 106 TYR C C 106 176.800 178.439 -1.639 1
1 1417 . 20 1 1 A 106 106 TYR CA C 106 58.600 60.389 -1.789 1
1 1418 . 20 1 1 A 106 106 TYR CB C 106 36.000 38.337 -2.337 1
1 1423 . 20 1 1 A 106 106 TYR N N 106 118.100 119.677 -1.577 1
1 1424 . 20 1 1 A 107 107 LEU H H 107 7.170 8.576 -1.406 1
1 1425 . 20 1 1 A 107 107 LEU HA H 107 3.970 4.023 -0.053 1
1 1435 . 20 1 1 A 107 107 LEU C C 107 178.300 179.327 -1.027 1
1 1436 . 20 1 1 A 107 107 LEU CA C 107 56.600 57.653 -1.053 1
1 1437 . 20 1 1 A 107 107 LEU CB C 107 41.800 41.546 0.254 1
1 1441 . 20 1 1 A 107 107 LEU N N 107 121.900 120.397 1.503 1
1 1442 . 20 1 1 A 108 108 LEU H H 108 7.680 7.567 0.113 1
1 1443 . 20 1 1 A 108 108 LEU HA H 108 4.070 3.720 0.350 1
1 1453 . 20 1 1 A 108 108 LEU C C 108 177.500 177.625 -0.125 1
1 1454 . 20 1 1 A 108 108 LEU CA C 108 55.400 58.024 -2.624 1
1 1455 . 20 1 1 A 108 108 LEU CB C 108 41.500 41.904 -0.404 1
1 1459 . 20 1 1 A 108 108 LEU N N 108 115.400 120.204 -4.804 1
1 1460 . 20 1 1 A 109 109 THR H H 109 7.510 7.832 -0.322 1
1 1461 . 20 1 1 A 109 109 THR HA H 109 4.310 4.771 -0.461 1
1 1466 . 20 1 1 A 109 109 THR C C 109 175.300 175.072 0.228 1
1 1467 . 20 1 1 A 109 109 THR CA C 109 61.600 62.123 -0.523 1
1 1468 . 20 1 1 A 109 109 THR CB C 109 69.500 71.209 -1.709 1
1 1470 . 20 1 1 A 109 109 THR N N 109 108.800 107.844 0.956 1
1 1471 . 20 1 1 A 110 110 GLY H H 110 8.010 7.763 0.247 1
1 1472 . 20 1 1 A 110 110 GLY HA2 H 110 3.950 3.982 -0.032 1
1 1473 . 20 1 1 A 110 110 GLY HA3 H 110 4.030 3.996 0.034 1
1 1474 . 20 1 1 A 110 110 GLY C C 110 174.500 175.141 -0.641 1
1 1475 . 20 1 1 A 110 110 GLY CA C 110 45.400 46.505 -1.105 1
1 1476 . 20 1 1 A 110 110 GLY N N 110 110.100 110.679 -0.579 1
1 1477 . 20 1 1 A 111 111 GLY H H 111 8.310 8.613 -0.303 1
1 1478 . 20 1 1 A 111 111 GLY HA2 H 111 3.930 3.904 0.026 1
1 1479 . 20 1 1 A 111 111 GLY HA3 H 111 3.930 3.908 0.022 1
1 1480 . 20 1 1 A 111 111 GLY C C 111 173.700 174.988 -1.288 1
1 1481 . 20 1 1 A 111 111 GLY CA C 111 45.400 46.046 -0.646 1
1 1482 . 20 1 1 A 111 111 GLY N N 111 108.300 108.416 -0.116 1
1 1483 . 20 1 1 A 112 112 GLN H H 112 8.280 7.759 0.521 1
1 1484 . 20 1 1 A 112 112 GLN HA H 112 4.270 4.305 -0.035 1
1 1491 . 20 1 1 A 112 112 GLN C C 112 175.700 175.417 0.283 1
1 1492 . 20 1 1 A 112 112 GLN CA C 112 55.600 56.801 -1.201 1
1 1493 . 20 1 1 A 112 112 GLN CB C 112 29.200 29.984 -0.784 1
1 1496 . 20 1 1 A 112 112 GLN N N 112 119.200 119.496 -0.296 1
1 1498 . 20 1 1 A 113 113 LEU H H 113 8.260 8.240 0.020 1
1 1499 . 20 1 1 A 113 113 LEU HA H 113 4.180 4.427 -0.247 1
1 1509 . 20 1 1 A 113 113 LEU C C 113 177.000 175.367 1.633 1
1 1510 . 20 1 1 A 113 113 LEU CA C 113 55.100 55.336 -0.236 1
1 1511 . 20 1 1 A 113 113 LEU CB C 113 42.100 42.310 -0.210 1
1 1515 . 20 1 1 A 113 113 LEU N N 113 122.800 124.057 -1.257 1
1 1516 . 20 1 1 A 114 114 GLU H H 114 8.290 8.682 -0.392 1
1 1517 . 20 1 1 A 114 114 GLU HA H 114 4.140 4.658 -0.518 1
1 1522 . 20 1 1 A 114 114 GLU CA C 114 56.300 54.306 1.994 1
1 1523 . 20 1 1 A 114 114 GLU CB C 114 30.200 32.421 -2.221 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 106 1.057 1
2 1 1 1 "RMS(OBS, PRED)" CA 113 1.242 1
3 1 1 1 "RMS(OBS, PRED)" CB 109 1.238 1
4 1 1 1 "RMS(OBS, PRED)" H 106 0.657 1
5 1 1 1 "RMS(OBS, PRED)" HA 117 0.314 1
6 1 1 1 "RMS(OBS, PRED)" N 105 3.124 1
7 1 2 1 "RMS(OBS, PRED)" C 106 0.979 1
8 1 2 1 "RMS(OBS, PRED)" CA 113 1.165 1
9 1 2 1 "RMS(OBS, PRED)" CB 109 1.201 1
10 1 2 1 "RMS(OBS, PRED)" H 106 0.678 1
11 1 2 1 "RMS(OBS, PRED)" HA 117 0.314 1
12 1 2 1 "RMS(OBS, PRED)" N 105 3.409 1
13 1 3 1 "RMS(OBS, PRED)" C 106 0.989 1
14 1 3 1 "RMS(OBS, PRED)" CA 113 1.038 1
15 1 3 1 "RMS(OBS, PRED)" CB 109 1.037 1
16 1 3 1 "RMS(OBS, PRED)" H 106 0.595 1
17 1 3 1 "RMS(OBS, PRED)" HA 117 0.301 1
18 1 3 1 "RMS(OBS, PRED)" N 105 3.309 1
19 1 4 1 "RMS(OBS, PRED)" C 106 1.002 1
20 1 4 1 "RMS(OBS, PRED)" CA 113 1.186 1
21 1 4 1 "RMS(OBS, PRED)" CB 109 1.256 1
22 1 4 1 "RMS(OBS, PRED)" H 106 0.614 1
23 1 4 1 "RMS(OBS, PRED)" HA 117 0.314 1
24 1 4 1 "RMS(OBS, PRED)" N 105 3.207 1
25 1 5 1 "RMS(OBS, PRED)" C 106 0.989 1
26 1 5 1 "RMS(OBS, PRED)" CA 113 1.087 1
27 1 5 1 "RMS(OBS, PRED)" CB 109 1.048 1
28 1 5 1 "RMS(OBS, PRED)" H 106 0.676 1
29 1 5 1 "RMS(OBS, PRED)" HA 117 0.295 1
30 1 5 1 "RMS(OBS, PRED)" N 105 3.223 1
31 1 6 1 "RMS(OBS, PRED)" C 106 1.042 1
32 1 6 1 "RMS(OBS, PRED)" CA 113 1.194 1
33 1 6 1 "RMS(OBS, PRED)" CB 109 1.266 1
34 1 6 1 "RMS(OBS, PRED)" H 106 0.678 1
35 1 6 1 "RMS(OBS, PRED)" HA 117 0.309 1
36 1 6 1 "RMS(OBS, PRED)" N 105 3.259 1
37 1 7 1 "RMS(OBS, PRED)" C 106 1.018 1
38 1 7 1 "RMS(OBS, PRED)" CA 113 1.133 1
39 1 7 1 "RMS(OBS, PRED)" CB 109 1.205 1
40 1 7 1 "RMS(OBS, PRED)" H 106 0.660 1
41 1 7 1 "RMS(OBS, PRED)" HA 117 0.354 1
42 1 7 1 "RMS(OBS, PRED)" N 105 3.337 1
43 1 8 1 "RMS(OBS, PRED)" C 106 1.025 1
44 1 8 1 "RMS(OBS, PRED)" CA 113 1.231 1
45 1 8 1 "RMS(OBS, PRED)" CB 109 1.156 1
46 1 8 1 "RMS(OBS, PRED)" H 106 0.661 1
47 1 8 1 "RMS(OBS, PRED)" HA 117 0.302 1
48 1 8 1 "RMS(OBS, PRED)" N 105 3.248 1
49 1 9 1 "RMS(OBS, PRED)" C 106 1.082 1
50 1 9 1 "RMS(OBS, PRED)" CA 113 1.256 1
51 1 9 1 "RMS(OBS, PRED)" CB 109 1.259 1
52 1 9 1 "RMS(OBS, PRED)" H 106 0.711 1
53 1 9 1 "RMS(OBS, PRED)" HA 117 0.319 1
54 1 9 1 "RMS(OBS, PRED)" N 105 3.237 1
55 1 10 1 "RMS(OBS, PRED)" C 106 1.002 1
56 1 10 1 "RMS(OBS, PRED)" CA 113 1.248 1
57 1 10 1 "RMS(OBS, PRED)" CB 109 1.306 1
58 1 10 1 "RMS(OBS, PRED)" H 106 0.647 1
59 1 10 1 "RMS(OBS, PRED)" HA 117 0.321 1
60 1 10 1 "RMS(OBS, PRED)" N 105 3.423 1
61 1 11 1 "RMS(OBS, PRED)" C 106 1.044 1
62 1 11 1 "RMS(OBS, PRED)" CA 113 1.275 1
63 1 11 1 "RMS(OBS, PRED)" CB 109 1.226 1
64 1 11 1 "RMS(OBS, PRED)" H 106 0.577 1
65 1 11 1 "RMS(OBS, PRED)" HA 117 0.322 1
66 1 11 1 "RMS(OBS, PRED)" N 105 3.944 1
67 1 12 1 "RMS(OBS, PRED)" C 106 0.959 1
68 1 12 1 "RMS(OBS, PRED)" CA 113 1.312 1
69 1 12 1 "RMS(OBS, PRED)" CB 109 1.286 1
70 1 12 1 "RMS(OBS, PRED)" H 106 0.655 1
71 1 12 1 "RMS(OBS, PRED)" HA 117 0.316 1
72 1 12 1 "RMS(OBS, PRED)" N 105 3.725 1
73 1 13 1 "RMS(OBS, PRED)" C 106 1.134 1
74 1 13 1 "RMS(OBS, PRED)" CA 113 1.335 1
75 1 13 1 "RMS(OBS, PRED)" CB 109 1.319 1
76 1 13 1 "RMS(OBS, PRED)" H 106 0.656 1
77 1 13 1 "RMS(OBS, PRED)" HA 117 0.352 1
78 1 13 1 "RMS(OBS, PRED)" N 105 3.341 1
79 1 14 1 "RMS(OBS, PRED)" C 106 1.065 1
80 1 14 1 "RMS(OBS, PRED)" CA 113 1.245 1
81 1 14 1 "RMS(OBS, PRED)" CB 109 1.317 1
82 1 14 1 "RMS(OBS, PRED)" H 106 0.625 1
83 1 14 1 "RMS(OBS, PRED)" HA 117 0.388 1
84 1 14 1 "RMS(OBS, PRED)" N 105 3.564 1
85 1 15 1 "RMS(OBS, PRED)" C 106 1.065 1
86 1 15 1 "RMS(OBS, PRED)" CA 113 1.294 1
87 1 15 1 "RMS(OBS, PRED)" CB 109 1.465 1
88 1 15 1 "RMS(OBS, PRED)" H 106 0.701 1
89 1 15 1 "RMS(OBS, PRED)" HA 117 0.360 1
90 1 15 1 "RMS(OBS, PRED)" N 105 3.483 1
91 1 16 1 "RMS(OBS, PRED)" C 106 1.079 1
92 1 16 1 "RMS(OBS, PRED)" CA 113 1.207 1
93 1 16 1 "RMS(OBS, PRED)" CB 109 1.199 1
94 1 16 1 "RMS(OBS, PRED)" H 106 0.645 1
95 1 16 1 "RMS(OBS, PRED)" HA 117 0.340 1
96 1 16 1 "RMS(OBS, PRED)" N 105 3.404 1
97 1 17 1 "RMS(OBS, PRED)" C 106 1.019 1
98 1 17 1 "RMS(OBS, PRED)" CA 113 1.331 1
99 1 17 1 "RMS(OBS, PRED)" CB 109 1.245 1
100 1 17 1 "RMS(OBS, PRED)" H 106 0.663 1
101 1 17 1 "RMS(OBS, PRED)" HA 117 0.320 1
102 1 17 1 "RMS(OBS, PRED)" N 105 3.651 1
103 1 18 1 "RMS(OBS, PRED)" C 106 1.015 1
104 1 18 1 "RMS(OBS, PRED)" CA 113 1.129 1
105 1 18 1 "RMS(OBS, PRED)" CB 109 1.159 1
106 1 18 1 "RMS(OBS, PRED)" H 106 0.592 1
107 1 18 1 "RMS(OBS, PRED)" HA 117 0.295 1
108 1 18 1 "RMS(OBS, PRED)" N 105 3.218 1
109 1 19 1 "RMS(OBS, PRED)" C 106 1.081 1
110 1 19 1 "RMS(OBS, PRED)" CA 113 1.163 1
111 1 19 1 "RMS(OBS, PRED)" CB 109 1.161 1
112 1 19 1 "RMS(OBS, PRED)" H 106 0.625 1
113 1 19 1 "RMS(OBS, PRED)" HA 117 0.291 1
114 1 19 1 "RMS(OBS, PRED)" N 105 3.267 1
115 1 20 1 "RMS(OBS, PRED)" C 106 1.040 1
116 1 20 1 "RMS(OBS, PRED)" CA 113 1.223 1
117 1 20 1 "RMS(OBS, PRED)" CB 109 1.131 1
118 1 20 1 "RMS(OBS, PRED)" H 106 0.641 1
119 1 20 1 "RMS(OBS, PRED)" HA 117 0.324 1
120 1 20 1 "RMS(OBS, PRED)" N 105 3.348 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 THR HA H 2 4.300 4.442 -0.142 2
1 6 . 1 1 A 2 2 THR C C 2 174.800 175.325 -0.525 2
1 7 . 1 1 A 2 2 THR CA C 2 61.100 62.185 -1.085 2
1 8 . 1 1 A 2 2 THR CB C 2 70.400 69.300 1.100 2
1 10 . 1 1 A 3 3 LEU H H 3 8.760 8.145 0.615 2
1 11 . 1 1 A 3 3 LEU HA H 3 4.110 3.904 0.206 2
1 21 . 1 1 A 3 3 LEU C C 3 178.300 178.794 -0.494 2
1 22 . 1 1 A 3 3 LEU CA C 3 57.800 58.001 -0.201 2
1 23 . 1 1 A 3 3 LEU CB C 3 41.600 41.293 0.307 2
1 27 . 1 1 A 3 3 LEU N N 3 123.600 123.415 0.185 2
1 28 . 1 1 A 4 4 GLU H H 4 8.740 8.160 0.580 2
1 29 . 1 1 A 4 4 GLU HA H 4 3.670 4.029 -0.359 2
1 34 . 1 1 A 4 4 GLU C C 4 177.900 179.118 -1.218 2
1 35 . 1 1 A 4 4 GLU CA C 4 60.000 59.264 0.736 2
1 36 . 1 1 A 4 4 GLU CB C 4 29.200 29.389 -0.189 2
1 38 . 1 1 A 4 4 GLU N N 4 116.500 119.221 -2.721 2
1 39 . 1 1 A 5 5 LEU H H 5 7.340 8.221 -0.881 2
1 40 . 1 1 A 5 5 LEU HA H 5 3.900 3.955 -0.055 2
1 50 . 1 1 A 5 5 LEU C C 5 178.900 178.890 0.010 2
1 51 . 1 1 A 5 5 LEU CA C 5 56.900 57.835 -0.935 2
1 52 . 1 1 A 5 5 LEU CB C 5 41.200 41.447 -0.247 2
1 56 . 1 1 A 5 5 LEU N N 5 120.500 120.899 -0.399 2
1 57 . 1 1 A 6 6 GLN H H 6 8.350 8.029 0.321 2
1 58 . 1 1 A 6 6 GLN HA H 6 3.970 4.102 -0.132 2
1 63 . 1 1 A 6 6 GLN C C 6 179.700 178.433 1.267 2
1 64 . 1 1 A 6 6 GLN CA C 6 59.100 58.635 0.465 2
1 65 . 1 1 A 6 6 GLN CB C 6 29.100 28.159 0.942 2
1 67 . 1 1 A 6 6 GLN N N 6 120.800 118.317 2.483 2
1 68 . 1 1 A 7 7 LEU H H 7 8.620 8.210 0.410 2
1 69 . 1 1 A 7 7 LEU HA H 7 4.010 4.135 -0.125 2
1 79 . 1 1 A 7 7 LEU C C 7 176.900 178.594 -1.694 2
1 80 . 1 1 A 7 7 LEU CA C 7 57.800 57.869 -0.069 2
1 81 . 1 1 A 7 7 LEU CB C 7 41.700 41.724 -0.024 2
1 85 . 1 1 A 7 7 LEU N N 7 121.000 121.509 -0.509 2
1 86 . 1 1 A 8 8 LYS H H 8 7.750 7.780 -0.030 2
1 87 . 1 1 A 8 8 LYS HA H 8 3.570 3.899 -0.329 2
1 96 . 1 1 A 8 8 LYS C C 8 179.400 179.095 0.305 2
1 97 . 1 1 A 8 8 LYS CA C 8 59.000 58.820 0.180 2
1 98 . 1 1 A 8 8 LYS CB C 8 32.400 31.944 0.456 2
1 102 . 1 1 A 8 8 LYS N N 8 119.700 118.924 0.776 2
1 103 . 1 1 A 9 9 HIS H H 9 8.520 7.990 0.530 2
1 104 . 1 1 A 9 9 HIS HA H 9 4.050 4.478 -0.428 2
1 107 . 1 1 A 9 9 HIS C C 9 176.500 177.104 -0.604 2
1 108 . 1 1 A 9 9 HIS CA C 9 59.400 59.308 0.092 2
1 109 . 1 1 A 9 9 HIS CB C 9 29.900 30.076 -0.176 2
1 110 . 1 1 A 9 9 HIS N N 9 120.500 119.572 0.928 2
1 111 . 1 1 A 10 10 TYR H H 10 7.990 8.500 -0.510 2
1 112 . 1 1 A 10 10 TYR HA H 10 4.160 4.033 0.127 2
1 119 . 1 1 A 10 10 TYR C C 10 177.400 177.110 0.290 2
1 120 . 1 1 A 10 10 TYR CA C 10 61.800 61.439 0.361 2
1 121 . 1 1 A 10 10 TYR CB C 10 39.500 38.777 0.723 2
1 126 . 1 1 A 10 10 TYR N N 10 119.200 120.042 -0.842 2
1 127 . 1 1 A 11 11 ILE H H 11 8.710 8.380 0.330 2
1 128 . 1 1 A 11 11 ILE HA H 11 3.540 3.585 -0.045 2
1 138 . 1 1 A 11 11 ILE CA C 11 61.600 64.264 -2.664 2
1 139 . 1 1 A 11 11 ILE CB C 11 36.200 37.761 -1.561 2
1 143 . 1 1 A 11 11 ILE N N 11 118.900 120.534 -1.634 2
1 144 . 1 1 A 12 12 THR HA H 12 3.840 4.063 -0.223 2
1 149 . 1 1 A 12 12 THR C C 12 176.900 177.012 -0.112 2
1 150 . 1 1 A 12 12 THR CA C 12 66.400 66.108 0.292 2
1 151 . 1 1 A 12 12 THR CB C 12 68.300 68.276 0.023 2
1 153 . 1 1 A 13 13 ASN H H 13 7.440 8.266 -0.826 2
1 154 . 1 1 A 13 13 ASN HA H 13 4.420 4.386 0.034 2
1 159 . 1 1 A 13 13 ASN C C 13 176.700 177.635 -0.935 2
1 160 . 1 1 A 13 13 ASN CA C 13 55.900 56.240 -0.340 2
1 161 . 1 1 A 13 13 ASN CB C 13 38.600 38.106 0.494 2
1 163 . 1 1 A 13 13 ASN N N 13 118.300 120.843 -2.543 2
1 165 . 1 1 A 14 14 LEU H H 14 7.890 7.625 0.265 2
1 166 . 1 1 A 14 14 LEU HA H 14 3.660 3.735 -0.075 2
1 176 . 1 1 A 14 14 LEU C C 14 177.900 177.804 0.096 2
1 177 . 1 1 A 14 14 LEU CA C 14 57.600 57.575 0.025 2
1 178 . 1 1 A 14 14 LEU CB C 14 42.600 41.218 1.382 2
1 182 . 1 1 A 14 14 LEU N N 14 122.100 121.052 1.048 2
1 183 . 1 1 A 15 15 PHE H H 15 7.670 7.654 0.016 2
1 184 . 1 1 A 15 15 PHE HA H 15 4.490 4.526 -0.036 2
1 191 . 1 1 A 15 15 PHE C C 15 173.800 174.661 -0.861 2
1 192 . 1 1 A 15 15 PHE CA C 15 57.900 57.113 0.787 2
1 193 . 1 1 A 15 15 PHE CB C 15 38.900 39.533 -0.633 2
1 198 . 1 1 A 15 15 PHE N N 15 111.800 114.152 -2.352 2
1 199 . 1 1 A 16 16 ASN H H 16 7.450 8.101 -0.651 2
1 200 . 1 1 A 16 16 ASN HA H 16 4.420 4.316 0.104 2
1 205 . 1 1 A 16 16 ASN C C 16 174.200 174.186 0.014 2
1 206 . 1 1 A 16 16 ASN CA C 16 54.100 54.262 -0.162 2
1 207 . 1 1 A 16 16 ASN CB C 16 36.500 36.922 -0.422 2
1 209 . 1 1 A 16 16 ASN N N 16 118.500 115.891 2.609 2
1 211 . 1 1 A 17 17 LEU H H 17 8.410 8.001 0.410 2
1 212 . 1 1 A 17 17 LEU HA H 17 4.630 4.530 0.100 2
1 222 . 1 1 A 17 17 LEU CA C 17 52.300 52.757 -0.457 2
1 223 . 1 1 A 17 17 LEU CB C 17 41.000 41.483 -0.483 2
1 227 . 1 1 A 17 17 LEU N N 17 118.700 119.948 -1.248 2
1 228 . 1 1 A 18 18 PRO HA H 18 4.380 4.567 -0.187 2
1 235 . 1 1 A 18 18 PRO C C 18 178.600 177.203 1.397 2
1 236 . 1 1 A 18 18 PRO CA C 18 63.100 63.226 -0.126 2
1 237 . 1 1 A 18 18 PRO CB C 18 31.800 32.229 -0.429 2
1 240 . 1 1 A 19 19 ARG H H 19 8.650 8.670 -0.020 2
1 241 . 1 1 A 19 19 ARG HA H 19 3.820 4.266 -0.446 2
1 248 . 1 1 A 19 19 ARG C C 19 176.500 176.888 -0.388 2
1 249 . 1 1 A 19 19 ARG CA C 19 58.100 57.607 0.493 2
1 250 . 1 1 A 19 19 ARG CB C 19 30.300 30.427 -0.127 2
1 253 . 1 1 A 19 19 ARG N N 19 124.600 122.803 1.797 2
1 254 . 1 1 A 20 20 ASP H H 20 8.390 8.115 0.275 2
1 255 . 1 1 A 20 20 ASP HA H 20 4.550 4.583 -0.033 2
1 258 . 1 1 A 20 20 ASP C C 20 175.700 175.947 -0.247 2
1 259 . 1 1 A 20 20 ASP CA C 20 53.000 54.478 -1.478 2
1 260 . 1 1 A 20 20 ASP CB C 20 40.400 40.252 0.148 2
1 261 . 1 1 A 20 20 ASP N N 20 114.300 117.547 -3.247 2
1 262 . 1 1 A 21 21 GLU H H 21 6.780 7.722 -0.942 2
1 263 . 1 1 A 21 21 GLU HA H 21 4.150 4.570 -0.420 2
1 268 . 1 1 A 21 21 GLU C C 21 175.400 175.753 -0.353 2
1 269 . 1 1 A 21 21 GLU CA C 21 56.200 55.816 0.384 2
1 270 . 1 1 A 21 21 GLU CB C 21 31.600 30.813 0.787 2
1 272 . 1 1 A 21 21 GLU N N 21 121.600 120.778 0.822 2
1 273 . 1 1 A 22 22 LYS H H 22 8.860 8.633 0.227 2
1 274 . 1 1 A 22 22 LYS HA H 22 4.160 4.414 -0.254 2
1 283 . 1 1 A 22 22 LYS C C 22 176.100 176.199 -0.099 2
1 284 . 1 1 A 22 22 LYS CA C 22 57.200 56.090 1.110 2
1 285 . 1 1 A 22 22 LYS CB C 22 33.000 33.327 -0.327 2
1 289 . 1 1 A 22 22 LYS N N 22 128.900 126.276 2.624 2
1 290 . 1 1 A 23 23 TRP H H 23 8.750 8.857 -0.107 2
1 291 . 1 1 A 23 23 TRP HA H 23 5.400 5.160 0.240 2
1 300 . 1 1 A 23 23 TRP C C 23 176.500 175.504 0.996 2
1 301 . 1 1 A 23 23 TRP CA C 23 54.600 56.580 -1.980 2
1 302 . 1 1 A 23 23 TRP CB C 23 31.100 32.428 -1.328 2
1 308 . 1 1 A 23 23 TRP N N 23 126.100 125.681 0.419 2
1 310 . 1 1 A 24 24 GLU H H 24 9.040 8.637 0.403 2
1 311 . 1 1 A 24 24 GLU HA H 24 4.590 4.951 -0.361 2
1 316 . 1 1 A 24 24 GLU C C 24 174.100 175.614 -1.514 2
1 317 . 1 1 A 24 24 GLU CA C 24 54.200 55.133 -0.933 2
1 318 . 1 1 A 24 24 GLU CB C 24 31.600 31.849 -0.249 2
1 320 . 1 1 A 24 24 GLU N N 24 122.700 121.394 1.306 2
1 321 . 1 1 A 25 25 CYS H H 25 8.740 8.936 -0.196 2
1 322 . 1 1 A 25 25 CYS HA H 25 4.870 4.705 0.165 2
1 325 . 1 1 A 25 25 CYS C C 25 174.400 174.021 0.379 2
1 326 . 1 1 A 25 25 CYS CA C 25 57.200 58.259 -1.059 2
1 327 . 1 1 A 25 25 CYS CB C 25 30.200 28.669 1.531 2
1 328 . 1 1 A 25 25 CYS N N 25 119.900 125.412 -5.512 2
1 329 . 1 1 A 26 26 GLU H H 26 9.220 8.456 0.764 2
1 330 . 1 1 A 26 26 GLU HA H 26 4.740 4.939 -0.199 2
1 335 . 1 1 A 26 26 GLU C C 26 175.000 174.684 0.316 2
1 336 . 1 1 A 26 26 GLU CA C 26 55.100 55.054 0.046 2
1 337 . 1 1 A 26 26 GLU CB C 26 31.700 32.648 -0.948 2
1 339 . 1 1 A 26 26 GLU N N 26 131.200 125.124 6.076 2
1 340 . 1 1 A 27 27 SER H H 27 8.900 8.839 0.061 2
1 341 . 1 1 A 27 27 SER HA H 27 5.750 5.111 0.639 2
1 344 . 1 1 A 27 27 SER C C 27 173.600 173.682 -0.082 2
1 345 . 1 1 A 27 27 SER CA C 27 56.700 57.325 -0.625 2
1 346 . 1 1 A 27 27 SER CB C 27 64.200 64.150 0.050 2
1 347 . 1 1 A 27 27 SER N N 27 125.100 122.238 2.862 2
1 348 . 1 1 A 28 28 ILE H H 28 8.540 8.753 -0.213 2
1 349 . 1 1 A 28 28 ILE HA H 28 4.680 4.823 -0.143 2
1 359 . 1 1 A 28 28 ILE C C 28 174.100 173.977 0.123 2
1 360 . 1 1 A 28 28 ILE CA C 28 59.800 59.301 0.499 2
1 361 . 1 1 A 28 28 ILE CB C 28 42.700 42.044 0.656 2
1 365 . 1 1 A 28 28 ILE N N 28 123.200 124.832 -1.632 2
1 366 . 1 1 A 29 29 GLU H H 29 8.430 8.698 -0.268 2
1 367 . 1 1 A 29 29 GLU HA H 29 5.430 4.943 0.487 2
1 372 . 1 1 A 29 29 GLU C C 29 176.000 175.803 0.197 2
1 373 . 1 1 A 29 29 GLU CA C 29 55.600 55.585 0.015 2
1 374 . 1 1 A 29 29 GLU CB C 29 31.200 31.002 0.198 2
1 376 . 1 1 A 29 29 GLU N N 29 123.900 126.350 -2.450 2
1 377 . 1 1 A 30 30 GLU H H 30 8.850 8.502 0.348 2
1 378 . 1 1 A 30 30 GLU HA H 30 4.730 4.898 -0.168 2
1 383 . 1 1 A 30 30 GLU C C 30 174.300 175.659 -1.359 2
1 384 . 1 1 A 30 30 GLU CA C 30 54.700 54.574 0.126 2
1 385 . 1 1 A 30 30 GLU CB C 30 34.400 33.907 0.493 2
1 387 . 1 1 A 30 30 GLU N N 30 121.900 124.462 -2.562 2
1 388 . 1 1 A 31 31 VAL H H 31 9.260 8.878 0.382 2
1 389 . 1 1 A 31 31 VAL HA H 31 4.250 4.054 0.196 2
1 397 . 1 1 A 31 31 VAL C C 31 177.700 176.765 0.935 2
1 398 . 1 1 A 31 31 VAL CA C 31 62.500 63.452 -0.952 2
1 399 . 1 1 A 31 31 VAL CB C 31 31.800 31.829 -0.029 2
1 402 . 1 1 A 31 31 VAL N N 31 124.500 123.561 0.939 2
1 403 . 1 1 A 32 32 ALA H H 32 9.250 8.792 0.458 2
1 404 . 1 1 A 32 32 ALA HA H 32 3.710 4.017 -0.307 2
1 408 . 1 1 A 32 32 ALA C C 32 178.600 179.149 -0.549 2
1 409 . 1 1 A 32 32 ALA CA C 32 55.800 55.461 0.339 2
1 410 . 1 1 A 32 32 ALA CB C 32 19.400 18.251 1.149 2
1 411 . 1 1 A 32 32 ALA N N 32 129.900 128.502 1.398 2
1 412 . 1 1 A 33 33 ASP H H 33 9.510 8.253 1.257 2
1 413 . 1 1 A 33 33 ASP HA H 33 4.180 4.464 -0.284 2
1 416 . 1 1 A 33 33 ASP C C 33 176.300 177.410 -1.110 2
1 417 . 1 1 A 33 33 ASP CA C 33 54.600 56.370 -1.770 2
1 418 . 1 1 A 33 33 ASP CB C 33 39.200 40.676 -1.476 2
1 419 . 1 1 A 33 33 ASP N N 33 110.700 118.080 -7.380 2
1 420 . 1 1 A 34 34 ASP H H 34 7.830 8.114 -0.284 2
1 421 . 1 1 A 34 34 ASP HA H 34 4.650 4.531 0.119 2
1 424 . 1 1 A 34 34 ASP C C 34 176.300 177.417 -1.117 2
1 425 . 1 1 A 34 34 ASP CA C 34 55.100 56.059 -0.959 2
1 426 . 1 1 A 34 34 ASP CB C 34 41.000 41.143 -0.143 2
1 427 . 1 1 A 34 34 ASP N N 34 114.700 118.278 -3.578 2
1 428 . 1 1 A 35 35 ILE H H 35 7.290 7.389 -0.099 2
1 429 . 1 1 A 35 35 ILE HA H 35 4.490 4.322 0.168 2
1 439 . 1 1 A 35 35 ILE C C 35 174.100 175.413 -1.313 2
1 440 . 1 1 A 35 35 ILE CA C 35 60.700 61.510 -0.810 2
1 441 . 1 1 A 35 35 ILE CB C 35 40.600 39.338 1.262 2
1 445 . 1 1 A 35 35 ILE N N 35 113.400 113.271 0.129 2
1 446 . 1 1 A 36 36 LEU H H 36 7.730 8.316 -0.586 2
1 447 . 1 1 A 36 36 LEU HA H 36 4.800 4.734 0.066 2
1 457 . 1 1 A 36 36 LEU CA C 36 52.200 51.944 0.256 2
1 458 . 1 1 A 36 36 LEU CB C 36 42.700 42.680 0.020 2
1 462 . 1 1 A 36 36 LEU N N 36 120.400 123.986 -3.586 2
1 463 . 1 1 A 37 37 PRO HA H 37 4.440 4.590 -0.150 2
1 470 . 1 1 A 37 37 PRO C C 37 177.100 177.286 -0.186 2
1 471 . 1 1 A 37 37 PRO CA C 37 63.100 62.996 0.104 2
1 472 . 1 1 A 37 37 PRO CB C 37 32.700 32.803 -0.103 2
1 475 . 1 1 A 38 38 ASP H H 38 8.690 8.794 -0.104 2
1 476 . 1 1 A 38 38 ASP HA H 38 4.230 4.351 -0.121 2
1 479 . 1 1 A 38 38 ASP C C 38 177.800 178.287 -0.487 2
1 480 . 1 1 A 38 38 ASP CA C 38 57.900 56.814 1.086 2
1 481 . 1 1 A 38 38 ASP CB C 38 42.200 40.386 1.814 2
1 482 . 1 1 A 38 38 ASP N N 38 123.800 122.956 0.844 2
1 483 . 1 1 A 39 39 GLN H H 39 9.080 8.105 0.975 2
1 484 . 1 1 A 39 39 GLN HA H 39 3.990 4.027 -0.037 2
1 491 . 1 1 A 39 39 GLN C C 39 176.400 176.753 -0.353 2
1 492 . 1 1 A 39 39 GLN CA C 39 58.000 58.488 -0.488 2
1 493 . 1 1 A 39 39 GLN CB C 39 27.300 28.458 -1.158 2
1 496 . 1 1 A 39 39 GLN N N 39 115.100 119.120 -4.020 2
1 498 . 1 1 A 40 40 TYR H H 40 7.510 7.874 -0.364 2
1 499 . 1 1 A 40 40 TYR HA H 40 4.730 4.561 0.169 2
1 506 . 1 1 A 40 40 TYR C C 40 174.200 175.951 -1.751 2
1 507 . 1 1 A 40 40 TYR CA C 40 57.000 57.986 -0.986 2
1 508 . 1 1 A 40 40 TYR CB C 40 39.400 38.694 0.706 2
1 513 . 1 1 A 40 40 TYR N N 40 116.800 117.630 -0.830 2
1 514 . 1 1 A 41 41 VAL H H 41 7.370 7.612 -0.242 2
1 515 . 1 1 A 41 41 VAL HA H 41 4.000 4.260 -0.260 2
1 523 . 1 1 A 41 41 VAL C C 41 175.400 176.289 -0.889 2
1 524 . 1 1 A 41 41 VAL CA C 41 62.800 62.445 0.355 2
1 525 . 1 1 A 41 41 VAL CB C 41 34.300 32.790 1.510 2
1 528 . 1 1 A 41 41 VAL N N 41 116.100 119.139 -3.039 2
1 529 . 1 1 A 42 42 ARG H H 42 7.990 8.234 -0.244 2
1 530 . 1 1 A 42 42 ARG HA H 42 3.970 4.217 -0.247 2
1 537 . 1 1 A 42 42 ARG C C 42 176.600 177.441 -0.841 2
1 538 . 1 1 A 42 42 ARG CA C 42 58.500 57.874 0.626 2
1 539 . 1 1 A 42 42 ARG CB C 42 29.700 30.134 -0.434 2
1 542 . 1 1 A 42 42 ARG N N 42 120.900 122.788 -1.888 2
1 543 . 1 1 A 43 43 LEU H H 43 8.930 7.940 0.990 2
1 544 . 1 1 A 43 43 LEU HA H 43 4.060 4.153 -0.093 2
1 554 . 1 1 A 43 43 LEU C C 43 176.200 177.240 -1.040 2
1 555 . 1 1 A 43 43 LEU CA C 43 56.100 56.382 -0.282 2
1 556 . 1 1 A 43 43 LEU CB C 43 40.100 42.007 -1.907 2
1 560 . 1 1 A 43 43 LEU N N 43 119.500 120.209 -0.709 2
1 561 . 1 1 A 44 44 GLY H H 44 7.890 7.949 -0.058 2
1 562 . 1 1 A 44 44 GLY HA2 H 44 3.930 3.987 -0.057 2
1 563 . 1 1 A 44 44 GLY HA3 H 44 4.540 4.001 0.539 2
1 564 . 1 1 A 44 44 GLY CA C 44 44.900 44.947 -0.047 2
1 565 . 1 1 A 44 44 GLY N N 44 107.000 107.032 -0.032 2
1 566 . 1 1 A 45 45 PRO HA H 45 4.360 4.360 0.000 2
1 573 . 1 1 A 45 45 PRO C C 45 176.900 177.870 -0.971 2
1 574 . 1 1 A 45 45 PRO CA C 45 64.400 64.663 -0.263 2
1 575 . 1 1 A 45 45 PRO CB C 45 31.900 31.673 0.227 2
1 578 . 1 1 A 46 46 LEU H H 46 8.660 7.827 0.833 2
1 579 . 1 1 A 46 46 LEU HA H 46 3.970 4.185 -0.215 2
1 589 . 1 1 A 46 46 LEU C C 46 176.300 177.205 -0.905 2
1 590 . 1 1 A 46 46 LEU CA C 46 55.900 55.596 0.304 2
1 591 . 1 1 A 46 46 LEU CB C 46 43.500 41.521 1.979 2
1 595 . 1 1 A 46 46 LEU N N 46 117.000 117.541 -0.541 2
1 596 . 1 1 A 47 47 SER H H 47 7.160 7.766 -0.606 2
1 597 . 1 1 A 47 47 SER HA H 47 4.080 4.301 -0.221 2
1 600 . 1 1 A 47 47 SER C C 47 176.600 175.295 1.305 2
1 601 . 1 1 A 47 47 SER CA C 47 59.100 60.059 -0.959 2
1 602 . 1 1 A 47 47 SER CB C 47 62.800 62.900 -0.100 2
1 603 . 1 1 A 47 47 SER N N 47 110.300 115.595 -5.295 2
1 604 . 1 1 A 48 48 ASN H H 48 11.000 8.527 2.473 2
1 605 . 1 1 A 48 48 ASN HA H 48 4.090 4.603 -0.513 2
1 610 . 1 1 A 48 48 ASN C C 48 174.700 174.371 0.329 2
1 611 . 1 1 A 48 48 ASN CA C 48 55.200 53.471 1.729 2
1 612 . 1 1 A 48 48 ASN CB C 48 38.300 37.992 0.308 2
1 614 . 1 1 A 48 48 ASN N N 48 123.200 119.798 3.402 2
1 616 . 1 1 A 49 49 LYS H H 49 7.830 7.587 0.243 2
1 617 . 1 1 A 49 49 LYS HA H 49 4.360 4.475 -0.115 2
1 626 . 1 1 A 49 49 LYS C C 49 175.100 175.825 -0.724 2
1 627 . 1 1 A 49 49 LYS CA C 49 56.100 55.671 0.429 2
1 628 . 1 1 A 49 49 LYS CB C 49 33.200 33.728 -0.528 2
1 632 . 1 1 A 49 49 LYS N N 49 119.400 120.107 -0.707 2
1 633 . 1 1 A 50 50 ILE H H 50 8.570 8.569 0.001 2
1 634 . 1 1 A 50 50 ILE HA H 50 4.160 4.399 -0.239 2
1 644 . 1 1 A 50 50 ILE C C 50 175.000 175.427 -0.427 2
1 645 . 1 1 A 50 50 ILE CA C 50 61.200 60.680 0.520 2
1 646 . 1 1 A 50 50 ILE CB C 50 36.900 37.655 -0.755 2
1 650 . 1 1 A 50 50 ILE N N 50 123.000 125.803 -2.803 2
1 651 . 1 1 A 51 51 LEU H H 51 9.270 8.696 0.574 2
1 652 . 1 1 A 51 51 LEU HA H 51 5.170 5.157 0.013 2
1 662 . 1 1 A 51 51 LEU C C 51 176.300 176.044 0.256 2
1 663 . 1 1 A 51 51 LEU CA C 51 52.500 53.352 -0.852 2
1 664 . 1 1 A 51 51 LEU CB C 51 42.600 44.833 -2.233 2
1 668 . 1 1 A 51 51 LEU N N 51 127.000 128.619 -1.619 2
1 669 . 1 1 A 52 52 GLN H H 52 9.110 8.312 0.798 2
1 670 . 1 1 A 52 52 GLN HA H 52 4.590 4.642 -0.052 2
1 677 . 1 1 A 52 52 GLN C C 52 175.000 175.278 -0.278 2
1 678 . 1 1 A 52 52 GLN CA C 52 56.800 55.826 0.974 2
1 679 . 1 1 A 52 52 GLN CB C 52 29.200 29.200 -0.000 2
1 682 . 1 1 A 52 52 GLN N N 52 122.700 122.887 -0.187 2
1 684 . 1 1 A 53 53 THR H H 53 9.110 8.695 0.415 2
1 685 . 1 1 A 53 53 THR HA H 53 4.730 5.026 -0.296 2
1 690 . 1 1 A 53 53 THR C C 53 172.500 173.623 -1.123 2
1 691 . 1 1 A 53 53 THR CA C 53 60.500 61.598 -1.098 2
1 692 . 1 1 A 53 53 THR CB C 53 69.800 70.074 -0.274 2
1 694 . 1 1 A 53 53 THR N N 53 121.500 119.711 1.789 2
1 695 . 1 1 A 54 54 ASN H H 54 8.210 9.026 -0.816 2
1 696 . 1 1 A 54 54 ASN HA H 54 5.400 5.365 0.035 2
1 701 . 1 1 A 54 54 ASN C C 54 172.900 173.886 -0.986 2
1 702 . 1 1 A 54 54 ASN CA C 54 52.400 52.148 0.252 2
1 703 . 1 1 A 54 54 ASN CB C 54 40.900 39.723 1.177 2
1 705 . 1 1 A 54 54 ASN N N 54 125.400 124.569 0.831 2
1 707 . 1 1 A 55 55 THR H H 55 8.510 8.600 -0.090 2
1 708 . 1 1 A 55 55 THR HA H 55 5.120 4.908 0.212 2
1 713 . 1 1 A 55 55 THR C C 55 172.800 173.551 -0.751 2
1 714 . 1 1 A 55 55 THR CA C 55 61.400 62.080 -0.680 2
1 715 . 1 1 A 55 55 THR CB C 55 69.700 70.056 -0.356 2
1 717 . 1 1 A 55 55 THR N N 55 119.300 120.645 -1.345 2
1 718 . 1 1 A 56 56 TYR H H 56 8.460 9.068 -0.608 2
1 719 . 1 1 A 56 56 TYR HA H 56 5.260 5.652 -0.392 2
1 726 . 1 1 A 56 56 TYR C C 56 173.400 174.629 -1.229 2
1 727 . 1 1 A 56 56 TYR CA C 56 57.500 56.205 1.295 2
1 728 . 1 1 A 56 56 TYR CB C 56 41.400 40.813 0.587 2
1 733 . 1 1 A 56 56 TYR N N 56 125.400 125.802 -0.402 2
1 734 . 1 1 A 57 57 TYR H H 57 8.450 8.896 -0.446 2
1 735 . 1 1 A 57 57 TYR HA H 57 4.530 5.509 -0.979 2
1 742 . 1 1 A 57 57 TYR C C 57 172.400 174.134 -1.734 2
1 743 . 1 1 A 57 57 TYR CA C 57 56.600 55.971 0.629 2
1 744 . 1 1 A 57 57 TYR CB C 57 41.700 41.593 0.107 2
1 749 . 1 1 A 57 57 TYR N N 57 113.900 121.609 -7.709 2
1 750 . 1 1 A 58 58 SER H H 58 7.100 8.710 -1.610 2
1 751 . 1 1 A 58 58 SER HA H 58 4.750 4.963 -0.213 2
1 754 . 1 1 A 58 58 SER C C 58 173.800 174.211 -0.411 2
1 755 . 1 1 A 58 58 SER CA C 58 56.600 56.590 0.010 2
1 756 . 1 1 A 58 58 SER CB C 58 65.600 66.247 -0.647 2
1 757 . 1 1 A 58 58 SER N N 58 114.200 117.035 -2.835 2
1 758 . 1 1 A 59 59 ASP H H 59 9.140 8.987 0.153 2
1 759 . 1 1 A 59 59 ASP HA H 59 4.550 4.344 0.206 2
1 762 . 1 1 A 59 59 ASP C C 59 179.000 178.274 0.726 2
1 763 . 1 1 A 59 59 ASP CA C 59 58.500 57.733 0.767 2
1 764 . 1 1 A 59 59 ASP CB C 59 40.400 40.399 0.001 2
1 765 . 1 1 A 59 59 ASP N N 59 121.800 124.159 -2.359 2
1 766 . 1 1 A 60 60 THR H H 60 9.060 7.930 1.130 2
1 767 . 1 1 A 60 60 THR HA H 60 4.000 3.983 0.017 2
1 772 . 1 1 A 60 60 THR C C 60 178.000 176.940 1.060 2
1 773 . 1 1 A 60 60 THR CA C 60 67.300 66.499 0.801 2
1 774 . 1 1 A 60 60 THR CB C 60 67.300 68.270 -0.970 2
1 776 . 1 1 A 60 60 THR N N 60 114.800 115.233 -0.433 2
1 777 . 1 1 A 61 61 LEU H H 61 7.950 7.966 -0.016 2
1 778 . 1 1 A 61 61 LEU HA H 61 3.610 3.734 -0.124 2
1 788 . 1 1 A 61 61 LEU C C 61 178.900 178.948 -0.048 2
1 789 . 1 1 A 61 61 LEU CA C 61 58.600 57.655 0.945 2
1 790 . 1 1 A 61 61 LEU CB C 61 39.500 41.583 -2.083 2
1 794 . 1 1 A 61 61 LEU N N 61 126.100 121.696 4.404 2
1 795 . 1 1 A 62 62 HIS H H 62 8.260 8.374 -0.114 2
1 796 . 1 1 A 62 62 HIS HA H 62 4.470 3.970 0.500 2
1 800 . 1 1 A 62 62 HIS C C 62 178.900 177.216 1.684 2
1 801 . 1 1 A 62 62 HIS CA C 62 58.600 60.116 -1.516 2
1 802 . 1 1 A 62 62 HIS CB C 62 29.500 29.841 -0.341 2
1 804 . 1 1 A 62 62 HIS N N 62 116.000 117.691 -1.691 2
1 805 . 1 1 A 63 63 LYS H H 63 7.790 8.059 -0.269 2
1 806 . 1 1 A 63 63 LYS HA H 63 3.960 3.890 0.070 2
1 815 . 1 1 A 63 63 LYS C C 63 177.900 178.753 -0.853 2
1 816 . 1 1 A 63 63 LYS CA C 63 59.200 59.474 -0.274 2
1 817 . 1 1 A 63 63 LYS CB C 63 32.400 32.171 0.229 2
1 821 . 1 1 A 63 63 LYS N N 63 119.100 119.562 -0.462 2
1 822 . 1 1 A 64 64 SER H H 64 7.580 7.654 -0.074 2
1 823 . 1 1 A 64 64 SER HA H 64 4.260 4.375 -0.115 2
1 826 . 1 1 A 64 64 SER C C 64 172.100 173.571 -1.471 2
1 827 . 1 1 A 64 64 SER CA C 64 59.300 58.390 0.910 2
1 828 . 1 1 A 64 64 SER CB C 64 63.600 63.278 0.322 2
1 829 . 1 1 A 64 64 SER N N 64 112.470 112.544 -0.074 2
1 830 . 1 1 A 65 65 ASN H H 65 7.760 7.799 -0.039 2
1 831 . 1 1 A 65 65 ASN HA H 65 3.870 4.092 -0.222 2
1 836 . 1 1 A 65 65 ASN C C 65 171.100 173.526 -2.426 2
1 837 . 1 1 A 65 65 ASN CA C 65 54.300 54.239 0.061 2
1 838 . 1 1 A 65 65 ASN CB C 65 37.500 36.873 0.627 2
1 840 . 1 1 A 65 65 ASN N N 65 117.600 117.007 0.593 2
1 842 . 1 1 A 66 66 ILE H H 66 6.820 7.130 -0.310 2
1 843 . 1 1 A 66 66 ILE HA H 66 4.590 4.563 0.027 2
1 853 . 1 1 A 66 66 ILE C C 66 174.000 173.950 0.050 2
1 854 . 1 1 A 66 66 ILE CA C 66 58.200 59.966 -1.766 2
1 855 . 1 1 A 66 66 ILE CB C 66 40.200 40.178 0.022 2
1 859 . 1 1 A 66 66 ILE N N 66 113.900 118.538 -4.638 2
1 860 . 1 1 A 67 67 TYR H H 67 8.530 8.161 0.369 2
1 861 . 1 1 A 67 67 TYR HA H 67 5.050 5.243 -0.193 2
1 868 . 1 1 A 67 67 TYR CA C 67 54.000 54.874 -0.874 2
1 869 . 1 1 A 67 67 TYR CB C 67 39.400 39.139 0.261 2
1 874 . 1 1 A 67 67 TYR N N 67 120.200 125.681 -5.481 2
1 875 . 1 1 A 68 68 PRO HA H 68 5.120 4.959 0.161 2
1 882 . 1 1 A 68 68 PRO C C 68 174.600 176.691 -2.091 2
1 883 . 1 1 A 68 68 PRO CA C 68 61.500 62.727 -1.226 2
1 884 . 1 1 A 68 68 PRO CB C 68 32.200 32.462 -0.262 2
1 887 . 1 1 A 69 69 PHE H H 69 8.870 8.680 0.190 2
1 888 . 1 1 A 69 69 PHE HA H 69 6.330 5.468 0.862 2
1 896 . 1 1 A 69 69 PHE C C 69 173.000 173.075 -0.075 2
1 897 . 1 1 A 69 69 PHE CA C 69 56.300 56.269 0.031 2
1 898 . 1 1 A 69 69 PHE CB C 69 42.900 42.173 0.727 2
1 903 . 1 1 A 69 69 PHE N N 69 118.400 119.475 -1.075 2
1 904 . 1 1 A 70 70 ILE H H 70 9.060 8.707 0.353 2
1 905 . 1 1 A 70 70 ILE HA H 70 4.840 4.790 0.050 2
1 915 . 1 1 A 70 70 ILE C C 70 175.700 174.746 0.954 2
1 916 . 1 1 A 70 70 ILE CA C 70 61.900 59.943 1.957 2
1 917 . 1 1 A 70 70 ILE CB C 70 43.000 42.147 0.853 2
1 921 . 1 1 A 70 70 ILE N N 70 117.700 122.112 -4.412 2
1 922 . 1 1 A 71 71 LEU H H 71 9.320 8.704 0.616 2
1 923 . 1 1 A 71 71 LEU HA H 71 5.720 5.232 0.488 2
1 933 . 1 1 A 71 71 LEU C C 71 175.600 175.529 0.071 2
1 934 . 1 1 A 71 71 LEU CA C 71 52.400 53.917 -1.517 2
1 935 . 1 1 A 71 71 LEU CB C 71 43.700 43.515 0.185 2
1 939 . 1 1 A 71 71 LEU N N 71 124.800 126.316 -1.516 2
1 940 . 1 1 A 72 72 TYR H H 72 9.250 9.047 0.203 2
1 941 . 1 1 A 72 72 TYR HA H 72 5.350 5.369 -0.019 2
1 948 . 1 1 A 72 72 TYR C C 72 174.100 174.569 -0.469 2
1 949 . 1 1 A 72 72 TYR CA C 72 57.300 56.748 0.552 2
1 950 . 1 1 A 72 72 TYR CB C 72 44.500 42.441 2.059 2
1 955 . 1 1 A 72 72 TYR N N 72 120.700 122.332 -1.632 2
1 956 . 1 1 A 73 73 TYR H H 73 9.250 9.051 0.199 2
1 957 . 1 1 A 73 73 TYR HA H 73 5.110 4.949 0.161 2
1 964 . 1 1 A 73 73 TYR C C 73 174.500 175.206 -0.706 2
1 965 . 1 1 A 73 73 TYR CA C 73 56.500 57.742 -1.242 2
1 966 . 1 1 A 73 73 TYR CB C 73 40.400 41.228 -0.828 2
1 971 . 1 1 A 73 73 TYR N N 73 120.300 123.721 -3.421 2
1 972 . 1 1 A 74 74 GLN H H 74 9.310 8.845 0.465 2
1 973 . 1 1 A 74 74 GLN HA H 74 3.530 3.834 -0.304 2
1 980 . 1 1 A 74 74 GLN C C 74 175.400 175.286 0.114 2
1 981 . 1 1 A 74 74 GLN CA C 74 57.200 57.446 -0.245 2
1 982 . 1 1 A 74 74 GLN CB C 74 25.500 27.286 -1.786 2
1 985 . 1 1 A 74 74 GLN N N 74 126.000 126.286 -0.286 2
1 987 . 1 1 A 75 75 LYS H H 75 8.530 8.547 -0.017 2
1 988 . 1 1 A 75 75 LYS HA H 75 3.820 4.198 -0.378 2
1 997 . 1 1 A 75 75 LYS C C 75 175.500 175.378 0.122 2
1 998 . 1 1 A 75 75 LYS CA C 75 57.300 56.939 0.361 2
1 999 . 1 1 A 75 75 LYS CB C 75 30.900 31.915 -1.015 2
1 1003 . 1 1 A 75 75 LYS N N 75 113.600 116.563 -2.963 2
1 1004 . 1 1 A 76 76 GLN H H 76 8.550 8.008 0.542 2
1 1005 . 1 1 A 76 76 GLN HA H 76 4.470 4.678 -0.208 2
1 1012 . 1 1 A 76 76 GLN C C 76 175.400 174.656 0.744 2
1 1013 . 1 1 A 76 76 GLN CA C 76 54.700 55.528 -0.828 2
1 1014 . 1 1 A 76 76 GLN CB C 76 29.900 30.956 -1.056 2
1 1017 . 1 1 A 76 76 GLN N N 76 122.200 118.623 3.577 2
1 1019 . 1 1 A 77 77 LEU H H 77 8.860 8.685 0.175 2
1 1020 . 1 1 A 77 77 LEU HA H 77 3.940 4.417 -0.477 2
1 1030 . 1 1 A 77 77 LEU C C 77 175.300 176.541 -1.241 2
1 1031 . 1 1 A 77 77 LEU CA C 77 56.800 55.444 1.356 2
1 1032 . 1 1 A 77 77 LEU CB C 77 41.800 42.736 -0.936 2
1 1036 . 1 1 A 77 77 LEU N N 77 128.900 124.534 4.366 2
1 1037 . 1 1 A 78 78 ILE H H 78 8.880 8.853 0.027 2
1 1038 . 1 1 A 78 78 ILE HA H 78 4.810 4.327 0.483 2
1 1048 . 1 1 A 78 78 ILE C C 78 174.600 175.991 -1.391 2
1 1049 . 1 1 A 78 78 ILE CA C 78 58.300 62.467 -4.167 2
1 1050 . 1 1 A 78 78 ILE CB C 78 38.270 38.999 -0.729 2
1 1054 . 1 1 A 78 78 ILE N N 78 126.900 124.939 1.961 2
1 1055 . 1 1 A 79 79 ALA H H 79 7.940 7.506 0.434 2
1 1056 . 1 1 A 79 79 ALA HA H 79 5.390 4.851 0.539 2
1 1060 . 1 1 A 79 79 ALA C C 79 175.300 175.177 0.123 2
1 1061 . 1 1 A 79 79 ALA CA C 79 51.600 51.697 -0.098 2
1 1062 . 1 1 A 79 79 ALA CB C 79 24.000 22.642 1.358 2
1 1063 . 1 1 A 79 79 ALA N N 79 115.000 118.613 -3.613 2
1 1064 . 1 1 A 80 80 ILE H H 80 8.580 8.528 0.052 2
1 1065 . 1 1 A 80 80 ILE HA H 80 4.840 5.069 -0.229 2
1 1075 . 1 1 A 80 80 ILE C C 80 175.000 175.663 -0.663 2
1 1076 . 1 1 A 80 80 ILE CA C 80 60.300 59.459 0.841 2
1 1077 . 1 1 A 80 80 ILE CB C 80 42.800 41.518 1.282 2
1 1081 . 1 1 A 80 80 ILE N N 80 117.900 119.574 -1.674 2
1 1082 . 1 1 A 81 81 GLY H H 81 8.200 7.635 0.565 2
1 1083 . 1 1 A 81 81 GLY HA2 H 81 3.750 3.816 -0.066 2
1 1084 . 1 1 A 81 81 GLY HA3 H 81 4.070 4.060 0.010 2
1 1085 . 1 1 A 81 81 GLY C C 81 169.100 171.740 -2.640 2
1 1086 . 1 1 A 81 81 GLY CA C 81 46.600 45.322 1.278 2
1 1087 . 1 1 A 81 81 GLY N N 81 116.400 112.004 4.396 2
1 1088 . 1 1 A 82 82 PHE H H 82 8.210 8.169 0.041 2
1 1089 . 1 1 A 82 82 PHE HA H 82 5.340 5.527 -0.187 2
1 1094 . 1 1 A 82 82 PHE C C 82 172.400 172.849 -0.449 2
1 1095 . 1 1 A 82 82 PHE CA C 82 56.300 55.902 0.398 2
1 1096 . 1 1 A 82 82 PHE CB C 82 40.100 42.256 -2.156 2
1 1099 . 1 1 A 82 82 PHE N N 82 114.500 114.842 -0.342 2
1 1100 . 1 1 A 83 83 ILE H H 83 8.490 9.109 -0.619 2
1 1101 . 1 1 A 83 83 ILE HA H 83 4.740 4.735 0.005 2
1 1111 . 1 1 A 83 83 ILE C C 83 175.200 175.122 0.078 2
1 1112 . 1 1 A 83 83 ILE CA C 83 60.400 60.319 0.081 2
1 1113 . 1 1 A 83 83 ILE CB C 83 39.500 39.281 0.219 2
1 1117 . 1 1 A 83 83 ILE N N 83 123.400 121.235 2.165 2
1 1118 . 1 1 A 84 84 ASP H H 84 8.550 8.648 -0.098 2
1 1119 . 1 1 A 84 84 ASP HA H 84 5.170 4.980 0.190 2
1 1122 . 1 1 A 84 84 ASP C C 84 178.600 176.751 1.849 2
1 1123 . 1 1 A 84 84 ASP CA C 84 52.200 53.193 -0.993 2
1 1124 . 1 1 A 84 84 ASP CB C 84 42.400 42.200 0.200 2
1 1125 . 1 1 A 84 84 ASP N N 84 126.900 127.851 -0.951 2
1 1126 . 1 1 A 85 85 GLU H H 85 9.250 8.908 0.342 2
1 1127 . 1 1 A 85 85 GLU HA H 85 4.350 4.068 0.282 2
1 1132 . 1 1 A 85 85 GLU C C 85 176.800 177.044 -0.244 2
1 1133 . 1 1 A 85 85 GLU CA C 85 58.400 58.672 -0.272 2
1 1134 . 1 1 A 85 85 GLU CB C 85 28.700 29.059 -0.360 2
1 1136 . 1 1 A 85 85 GLU N N 85 118.000 121.372 -3.372 2
1 1137 . 1 1 A 86 86 ASN H H 86 8.280 8.395 -0.115 2
1 1138 . 1 1 A 86 86 ASN HA H 86 4.760 4.796 -0.037 2
1 1143 . 1 1 A 86 86 ASN C C 86 174.600 174.733 -0.133 2
1 1144 . 1 1 A 86 86 ASN CA C 86 52.800 53.357 -0.557 2
1 1145 . 1 1 A 86 86 ASN CB C 86 38.900 38.837 0.063 2
1 1147 . 1 1 A 86 86 ASN N N 86 118.300 118.070 0.230 2
1 1149 . 1 1 A 87 87 HIS H H 87 8.570 7.933 0.637 2
1 1150 . 1 1 A 87 87 HIS HA H 87 3.940 4.455 -0.515 2
1 1154 . 1 1 A 87 87 HIS C C 87 173.600 173.951 -0.351 2
1 1155 . 1 1 A 87 87 HIS CA C 87 57.000 56.299 0.701 2
1 1156 . 1 1 A 87 87 HIS CB C 87 26.700 29.895 -3.195 2
1 1158 . 1 1 A 87 87 HIS N N 87 114.000 116.517 -2.517 2
1 1159 . 1 1 A 88 88 ASP H H 88 8.210 8.059 0.151 2
1 1160 . 1 1 A 88 88 ASP HA H 88 4.840 4.295 0.545 2
1 1163 . 1 1 A 88 88 ASP C C 88 174.800 175.278 -0.478 2
1 1164 . 1 1 A 88 88 ASP CA C 88 53.900 54.438 -0.538 2
1 1165 . 1 1 A 88 88 ASP CB C 88 41.500 40.476 1.024 2
1 1166 . 1 1 A 88 88 ASP N N 88 120.300 120.818 -0.518 2
1 1167 . 1 1 A 89 89 MET H H 89 8.550 8.434 0.116 2
1 1168 . 1 1 A 89 89 MET HA H 89 4.450 4.577 -0.127 2
1 1176 . 1 1 A 89 89 MET C C 89 173.400 174.560 -1.160 2
1 1177 . 1 1 A 89 89 MET CA C 89 55.800 53.989 1.811 2
1 1178 . 1 1 A 89 89 MET CB C 89 34.700 32.623 2.077 2
1 1181 . 1 1 A 89 89 MET N N 89 120.400 122.825 -2.425 2
1 1182 . 1 1 A 90 90 ASP H H 90 8.420 8.092 0.328 2
1 1183 . 1 1 A 90 90 ASP HA H 90 4.580 4.840 -0.260 2
1 1186 . 1 1 A 90 90 ASP C C 90 174.600 174.464 0.136 2
1 1187 . 1 1 A 90 90 ASP CA C 90 52.300 52.495 -0.196 2
1 1188 . 1 1 A 90 90 ASP CB C 90 41.800 42.075 -0.275 2
1 1189 . 1 1 A 90 90 ASP N N 90 126.900 124.350 2.550 2
1 1190 . 1 1 A 91 91 PHE H H 91 8.350 8.868 -0.518 2
1 1191 . 1 1 A 91 91 PHE HA H 91 4.780 4.960 -0.180 2
1 1199 . 1 1 A 91 91 PHE C C 91 175.600 175.540 0.060 2
1 1200 . 1 1 A 91 91 PHE CA C 91 58.200 56.692 1.508 2
1 1201 . 1 1 A 91 91 PHE CB C 91 41.400 40.270 1.130 2
1 1207 . 1 1 A 91 91 PHE N N 91 118.600 123.709 -5.109 2
1 1208 . 1 1 A 92 92 LEU H H 92 9.060 8.783 0.277 2
1 1209 . 1 1 A 92 92 LEU HA H 92 4.330 4.467 -0.137 2
1 1219 . 1 1 A 92 92 LEU C C 92 175.700 176.278 -0.578 2
1 1220 . 1 1 A 92 92 LEU CA C 92 55.200 55.977 -0.777 2
1 1221 . 1 1 A 92 92 LEU CB C 92 43.500 43.243 0.257 2
1 1225 . 1 1 A 92 92 LEU N N 92 121.100 124.815 -3.715 2
1 1226 . 1 1 A 93 93 TYR H H 93 7.970 7.500 0.469 2
1 1227 . 1 1 A 93 93 TYR HA H 93 4.780 4.862 -0.082 2
1 1234 . 1 1 A 93 93 TYR C C 93 172.800 173.128 -0.328 2
1 1235 . 1 1 A 93 93 TYR CA C 93 57.600 57.594 0.006 2
1 1236 . 1 1 A 93 93 TYR CB C 93 42.500 41.353 1.147 2
1 1241 . 1 1 A 93 93 TYR N N 93 118.600 118.240 0.360 2
1 1242 . 1 1 A 94 94 LEU H H 94 8.220 8.576 -0.356 2
1 1243 . 1 1 A 94 94 LEU HA H 94 5.060 5.038 0.022 2
1 1253 . 1 1 A 94 94 LEU C C 94 171.900 174.222 -2.322 2
1 1254 . 1 1 A 94 94 LEU CA C 94 55.100 53.248 1.852 2
1 1255 . 1 1 A 94 94 LEU CB C 94 44.800 45.041 -0.242 2
1 1259 . 1 1 A 94 94 LEU N N 94 128.600 130.231 -1.631 2
1 1260 . 1 1 A 95 95 HIS H H 95 9.720 8.742 0.978 2
1 1261 . 1 1 A 95 95 HIS HA H 95 4.570 5.053 -0.483 2
1 1266 . 1 1 A 95 95 HIS C C 95 173.100 173.241 -0.141 2
1 1267 . 1 1 A 95 95 HIS CA C 95 55.500 54.180 1.320 2
1 1268 . 1 1 A 95 95 HIS CB C 95 35.900 32.666 3.234 2
1 1271 . 1 1 A 95 95 HIS N N 95 133.000 126.095 6.905 2
1 1272 . 1 1 A 96 96 ASN H H 96 7.670 8.687 -1.017 2
1 1273 . 1 1 A 96 96 ASN HA H 96 4.930 4.899 0.032 2
1 1278 . 1 1 A 96 96 ASN C C 96 176.100 176.230 -0.130 2
1 1279 . 1 1 A 96 96 ASN CA C 96 51.000 52.267 -1.267 2
1 1280 . 1 1 A 96 96 ASN CB C 96 38.500 39.678 -1.178 2
1 1281 . 1 1 A 96 96 ASN N N 96 118.600 125.521 -6.921 2
1 1283 . 1 1 A 97 97 THR H H 97 10.580 8.695 1.885 2
1 1284 . 1 1 A 97 97 THR HA H 97 4.090 4.022 0.068 2
1 1289 . 1 1 A 97 97 THR C C 97 174.600 175.262 -0.662 2
1 1290 . 1 1 A 97 97 THR CA C 97 67.000 64.914 2.086 2
1 1291 . 1 1 A 97 97 THR CB C 97 68.300 68.273 0.027 2
1 1293 . 1 1 A 97 97 THR N N 97 116.300 116.960 -0.660 2
1 1294 . 1 1 A 98 98 VAL H H 98 8.440 7.924 0.516 2
1 1295 . 1 1 A 98 98 VAL HA H 98 4.180 4.061 0.119 2
1 1303 . 1 1 A 98 98 VAL C C 98 174.800 175.592 -0.792 2
1 1304 . 1 1 A 98 98 VAL CA C 98 64.400 63.226 1.174 2
1 1305 . 1 1 A 98 98 VAL CB C 98 33.100 31.939 1.161 2
1 1308 . 1 1 A 98 98 VAL N N 98 123.900 120.000 3.900 2
1 1309 . 1 1 A 99 99 MET H H 99 8.590 7.690 0.900 2
1 1310 . 1 1 A 99 99 MET HA H 99 4.720 4.795 -0.075 2
1 1318 . 1 1 A 99 99 MET CA C 99 52.400 53.227 -0.827 2
1 1319 . 1 1 A 99 99 MET CB C 99 34.100 33.739 0.361 2
1 1322 . 1 1 A 99 99 MET N N 99 118.700 118.129 0.571 2
1 1323 . 1 1 A 100 100 PRO HA H 100 4.210 4.405 -0.195 2
1 1330 . 1 1 A 100 100 PRO C C 100 175.900 176.447 -0.547 2
1 1331 . 1 1 A 100 100 PRO CA C 100 62.100 62.888 -0.788 2
1 1332 . 1 1 A 100 100 PRO CB C 100 31.000 32.034 -1.034 2
1 1335 . 1 1 A 101 101 LEU H H 101 9.010 8.591 0.419 2
1 1336 . 1 1 A 101 101 LEU HA H 101 4.310 4.324 -0.014 2
1 1346 . 1 1 A 101 101 LEU C C 101 176.900 177.144 -0.244 2
1 1347 . 1 1 A 101 101 LEU CA C 101 55.000 55.886 -0.886 2
1 1348 . 1 1 A 101 101 LEU CB C 101 42.800 42.554 0.246 2
1 1352 . 1 1 A 101 101 LEU N N 101 124.000 120.203 3.797 2
1 1353 . 1 1 A 102 102 LEU H H 102 7.620 7.702 -0.082 2
1 1354 . 1 1 A 102 102 LEU HA H 102 4.360 4.570 -0.210 2
1 1364 . 1 1 A 102 102 LEU C C 102 174.800 175.362 -0.562 2
1 1365 . 1 1 A 102 102 LEU CA C 102 54.900 54.923 -0.023 2
1 1366 . 1 1 A 102 102 LEU CB C 102 45.300 43.702 1.598 2
1 1370 . 1 1 A 102 102 LEU N N 102 119.000 118.209 0.791 2
1 1371 . 1 1 A 103 103 ASP H H 103 9.120 8.438 0.682 2
1 1372 . 1 1 A 103 103 ASP HA H 103 5.100 4.706 0.394 2
1 1375 . 1 1 A 103 103 ASP C C 103 174.500 174.724 -0.224 2
1 1376 . 1 1 A 103 103 ASP CA C 103 54.900 53.960 0.940 2
1 1377 . 1 1 A 103 103 ASP CB C 103 41.000 40.848 0.152 2
1 1378 . 1 1 A 103 103 ASP N N 103 120.700 121.220 -0.520 2
1 1379 . 1 1 A 104 104 GLN H H 104 8.990 8.559 0.431 2
1 1380 . 1 1 A 104 104 GLN HA H 104 4.710 4.706 0.004 2
1 1387 . 1 1 A 104 104 GLN C C 104 176.100 176.096 0.004 2
1 1388 . 1 1 A 104 104 GLN CA C 104 54.100 55.180 -1.080 2
1 1389 . 1 1 A 104 104 GLN CB C 104 28.500 29.909 -1.409 2
1 1392 . 1 1 A 104 104 GLN N N 104 125.400 122.324 3.076 2
1 1394 . 1 1 A 105 105 ARG H H 105 8.380 8.859 -0.479 2
1 1395 . 1 1 A 105 105 ARG HA H 105 3.510 3.932 -0.422 2
1 1402 . 1 1 A 105 105 ARG C C 105 177.500 177.958 -0.458 2
1 1403 . 1 1 A 105 105 ARG CA C 105 60.200 59.351 0.849 2
1 1404 . 1 1 A 105 105 ARG CB C 105 29.400 29.738 -0.337 2
1 1407 . 1 1 A 105 105 ARG N N 105 117.700 126.193 -8.493 2
1 1408 . 1 1 A 106 106 TYR H H 106 7.800 8.037 -0.237 2
1 1409 . 1 1 A 106 106 TYR HA H 106 4.360 4.397 -0.037 2
1 1416 . 1 1 A 106 106 TYR C C 106 176.800 178.196 -1.395 2
1 1417 . 1 1 A 106 106 TYR CA C 106 58.600 60.436 -1.836 2
1 1418 . 1 1 A 106 106 TYR CB C 106 36.000 38.130 -2.130 2
1 1423 . 1 1 A 106 106 TYR N N 106 118.100 119.244 -1.144 2
1 1424 . 1 1 A 107 107 LEU H H 107 7.170 8.095 -0.925 2
1 1425 . 1 1 A 107 107 LEU HA H 107 3.970 4.070 -0.100 2
1 1435 . 1 1 A 107 107 LEU C C 107 178.300 178.555 -0.255 2
1 1436 . 1 1 A 107 107 LEU CA C 107 56.600 57.972 -1.372 2
1 1437 . 1 1 A 107 107 LEU CB C 107 41.800 41.528 0.272 2
1 1441 . 1 1 A 107 107 LEU N N 107 121.900 121.254 0.646 2
1 1442 . 1 1 A 108 108 LEU H H 108 7.680 7.613 0.067 2
1 1443 . 1 1 A 108 108 LEU HA H 108 4.070 3.740 0.330 2
1 1453 . 1 1 A 108 108 LEU C C 108 177.500 178.092 -0.592 2
1 1454 . 1 1 A 108 108 LEU CA C 108 55.400 57.581 -2.181 2
1 1455 . 1 1 A 108 108 LEU CB C 108 41.500 41.701 -0.201 2
1 1459 . 1 1 A 108 108 LEU N N 108 115.400 119.642 -4.242 2
1 1460 . 1 1 A 109 109 THR H H 109 7.510 7.883 -0.373 2
1 1461 . 1 1 A 109 109 THR HA H 109 4.310 4.553 -0.243 2
1 1466 . 1 1 A 109 109 THR C C 109 175.300 174.977 0.323 2
1 1467 . 1 1 A 109 109 THR CA C 109 61.600 62.035 -0.435 2
1 1468 . 1 1 A 109 109 THR CB C 109 69.500 69.512 -0.012 2
1 1470 . 1 1 A 109 109 THR N N 109 108.800 109.408 -0.608 2
1 1471 . 1 1 A 110 110 GLY H H 110 8.010 8.028 -0.018 2
1 1472 . 1 1 A 110 110 GLY HA2 H 110 3.950 4.090 -0.140 2
1 1473 . 1 1 A 110 110 GLY HA3 H 110 4.030 4.127 -0.096 2
1 1474 . 1 1 A 110 110 GLY C C 110 174.500 174.827 -0.327 2
1 1475 . 1 1 A 110 110 GLY CA C 110 45.400 45.931 -0.531 2
1 1476 . 1 1 A 110 110 GLY N N 110 110.100 110.574 -0.474 2
1 1477 . 1 1 A 111 111 GLY H H 111 8.310 8.449 -0.139 2
1 1478 . 1 1 A 111 111 GLY HA2 H 111 3.930 4.062 -0.132 2
1 1479 . 1 1 A 111 111 GLY HA3 H 111 3.930 4.094 -0.164 2
1 1480 . 1 1 A 111 111 GLY C C 111 173.700 173.802 -0.102 2
1 1481 . 1 1 A 111 111 GLY CA C 111 45.400 45.412 -0.012 2
1 1482 . 1 1 A 111 111 GLY N N 111 108.300 109.653 -1.353 2
1 1483 . 1 1 A 112 112 GLN H H 112 8.280 8.312 -0.032 2
1 1484 . 1 1 A 112 112 GLN HA H 112 4.270 4.381 -0.111 2
1 1491 . 1 1 A 112 112 GLN C C 112 175.700 175.646 0.054 2
1 1492 . 1 1 A 112 112 GLN CA C 112 55.600 55.698 -0.098 2
1 1493 . 1 1 A 112 112 GLN CB C 112 29.200 29.038 0.162 2
1 1496 . 1 1 A 112 112 GLN N N 112 119.200 119.646 -0.446 2
1 1498 . 1 1 A 113 113 LEU H H 113 8.260 8.312 -0.052 2
1 1499 . 1 1 A 113 113 LEU HA H 113 4.180 4.386 -0.206 2
1 1509 . 1 1 A 113 113 LEU C C 113 177.000 176.598 0.402 2
1 1510 . 1 1 A 113 113 LEU CA C 113 55.100 54.996 0.104 2
1 1511 . 1 1 A 113 113 LEU CB C 113 42.100 42.327 -0.226 2
1 1515 . 1 1 A 113 113 LEU N N 113 122.800 122.767 0.033 2
1 1516 . 1 1 A 114 114 GLU H H 114 8.290 8.410 -0.120 2
1 1517 . 1 1 A 114 114 GLU HA H 114 4.140 4.493 -0.353 2
1 1522 . 1 1 A 114 114 GLU CA C 114 56.300 56.354 -0.054 2
1 1523 . 1 1 A 114 114 GLU CB C 114 30.200 30.704 -0.504 2
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