data_11017_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11017
_Entry.PDB_ID 2RN7
_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 4.360 4.365 -0.005 1
1 6 . 1 1 1 A 2 2 THR C C 2 174.300 174.495 -0.195 1
1 7 . 1 1 1 A 2 2 THR CA C 2 61.900 62.335 -0.435 1
1 8 . 1 1 1 A 2 2 THR CB C 2 69.900 69.554 0.346 1
1 10 . 1 1 1 A 3 3 LYS H H 3 8.520 8.634 -0.114 1
1 11 . 1 1 1 A 3 3 LYS HA H 3 4.320 4.677 -0.357 1
1 20 . 1 1 1 A 3 3 LYS C C 3 176.100 177.032 -0.932 1
1 21 . 1 1 1 A 3 3 LYS CA C 3 56.400 55.282 1.118 1
1 22 . 1 1 1 A 3 3 LYS CB C 3 33.000 32.304 0.696 1
1 26 . 1 1 1 A 3 3 LYS N N 3 124.100 125.215 -1.115 1
1 27 . 1 1 1 A 4 4 ASN H H 4 8.560 9.043 -0.483 1
1 28 . 1 1 1 A 4 4 ASN HA H 4 4.760 4.390 0.370 1
1 33 . 1 1 1 A 4 4 ASN C C 4 175.200 174.162 1.038 1
1 34 . 1 1 1 A 4 4 ASN CA C 4 53.300 54.458 -1.158 1
1 35 . 1 1 1 A 4 4 ASN CB C 4 38.900 38.127 0.773 1
1 36 . 1 1 1 A 4 4 ASN N N 4 120.200 121.691 -1.491 1
1 38 . 1 1 1 A 5 5 THR H H 5 8.130 7.909 0.221 1
1 39 . 1 1 1 A 5 5 THR HA H 5 4.310 4.204 0.106 1
1 44 . 1 1 1 A 5 5 THR C C 5 173.900 173.610 0.290 1
1 45 . 1 1 1 A 5 5 THR CA C 5 61.800 63.030 -1.230 1
1 46 . 1 1 1 A 5 5 THR CB C 5 69.500 68.202 1.298 1
1 48 . 1 1 1 A 5 5 THR N N 5 114.900 114.286 0.614 1
1 49 . 1 1 1 A 6 6 ARG H H 6 8.160 8.579 -0.419 1
1 50 . 1 1 1 A 6 6 ARG HA H 6 4.300 4.825 -0.525 1
1 57 . 1 1 1 A 6 6 ARG C C 6 176.300 174.862 1.438 1
1 58 . 1 1 1 A 6 6 ARG CA C 6 56.300 54.159 2.141 1
1 59 . 1 1 1 A 6 6 ARG CB C 6 30.700 32.949 -2.249 1
1 62 . 1 1 1 A 6 6 ARG N N 6 123.600 123.772 -0.172 1
1 63 . 1 1 1 A 7 7 PHE H H 7 8.460 8.719 -0.259 1
1 64 . 1 1 1 A 7 7 PHE HA H 7 4.760 4.826 -0.066 1
1 72 . 1 1 1 A 7 7 PHE C C 7 175.000 175.634 -0.634 1
1 73 . 1 1 1 A 7 7 PHE CA C 7 56.700 58.610 -1.910 1
1 74 . 1 1 1 A 7 7 PHE CB C 7 40.300 39.541 0.759 1
1 80 . 1 1 1 A 7 7 PHE N N 7 121.500 119.357 2.143 1
1 81 . 1 1 1 A 8 8 SER H H 8 8.520 9.053 -0.533 1
1 82 . 1 1 1 A 8 8 SER HA H 8 4.600 4.841 -0.241 1
1 85 . 1 1 1 A 8 8 SER CA C 8 56.700 56.754 -0.054 1
1 86 . 1 1 1 A 8 8 SER CB C 8 62.600 63.298 -0.698 1
1 87 . 1 1 1 A 8 8 SER N N 8 121.500 115.692 5.808 1
1 88 . 1 1 1 A 9 9 PRO HA H 9 3.920 4.213 -0.293 1
1 95 . 1 1 1 A 9 9 PRO C C 9 178.500 177.853 0.647 1
1 96 . 1 1 1 A 9 9 PRO CA C 9 65.800 65.609 0.191 1
1 97 . 1 1 1 A 9 9 PRO CB C 9 31.500 31.702 -0.202 1
1 100 . 1 1 1 A 10 10 GLU H H 10 8.610 8.214 0.396 1
1 101 . 1 1 1 A 10 10 GLU HA H 10 3.990 4.037 -0.047 1
1 106 . 1 1 1 A 10 10 GLU C C 10 179.100 179.162 -0.062 1
1 107 . 1 1 1 A 10 10 GLU CA C 10 60.000 59.624 0.376 1
1 108 . 1 1 1 A 10 10 GLU CB C 10 28.800 29.442 -0.642 1
1 110 . 1 1 1 A 10 10 GLU N N 10 116.600 118.236 -1.636 1
1 111 . 1 1 1 A 11 11 VAL H H 11 7.510 8.116 -0.606 1
1 112 . 1 1 1 A 11 11 VAL HA H 11 3.610 3.523 0.087 1
1 120 . 1 1 1 A 11 11 VAL C C 11 177.700 177.750 -0.050 1
1 121 . 1 1 1 A 11 11 VAL CA C 11 66.400 66.787 -0.387 1
1 122 . 1 1 1 A 11 11 VAL CB C 11 31.600 31.427 0.173 1
1 125 . 1 1 1 A 11 11 VAL N N 11 122.700 119.290 3.410 1
1 126 . 1 1 1 A 12 12 ARG H H 12 7.800 7.634 0.166 1
1 127 . 1 1 1 A 12 12 ARG HA H 12 3.440 3.307 0.133 1
1 135 . 1 1 1 A 12 12 ARG C C 12 178.000 178.755 -0.755 1
1 136 . 1 1 1 A 12 12 ARG CA C 12 59.300 59.575 -0.275 1
1 137 . 1 1 1 A 12 12 ARG CB C 12 29.600 29.459 0.141 1
1 140 . 1 1 1 A 12 12 ARG N N 12 118.700 119.420 -0.720 1
1 142 . 1 1 1 A 13 13 GLN H H 13 8.050 8.146 -0.096 1
1 143 . 1 1 1 A 13 13 GLN HA H 13 3.860 3.961 -0.101 1
1 150 . 1 1 1 A 13 13 GLN C C 13 178.800 178.664 0.136 1
1 151 . 1 1 1 A 13 13 GLN CA C 13 58.600 58.822 -0.222 1
1 152 . 1 1 1 A 13 13 GLN CB C 13 28.300 28.431 -0.131 1
1 154 . 1 1 1 A 13 13 GLN N N 13 116.100 118.545 -2.445 1
1 156 . 1 1 1 A 14 14 ARG H H 14 7.750 8.145 -0.395 1
1 157 . 1 1 1 A 14 14 ARG HA H 14 3.970 4.029 -0.059 1
1 164 . 1 1 1 A 14 14 ARG C C 14 177.900 178.236 -0.336 1
1 165 . 1 1 1 A 14 14 ARG CA C 14 59.100 58.809 0.291 1
1 166 . 1 1 1 A 14 14 ARG CB C 14 30.000 29.575 0.425 1
1 169 . 1 1 1 A 14 14 ARG N N 14 120.400 120.133 0.267 1
1 170 . 1 1 1 A 15 15 ALA H H 15 8.500 8.053 0.447 1
1 171 . 1 1 1 A 15 15 ALA HA H 15 4.040 4.069 -0.029 1
1 175 . 1 1 1 A 15 15 ALA C C 15 178.800 179.931 -1.131 1
1 176 . 1 1 1 A 15 15 ALA CA C 15 55.300 55.084 0.216 1
1 177 . 1 1 1 A 15 15 ALA CB C 15 19.700 18.764 0.936 1
1 178 . 1 1 1 A 15 15 ALA N N 15 122.200 122.406 -0.206 1
1 179 . 1 1 1 A 16 16 VAL H H 16 8.230 8.133 0.097 1
1 180 . 1 1 1 A 16 16 VAL HA H 16 3.360 3.411 -0.051 1
1 188 . 1 1 1 A 16 16 VAL C C 16 177.700 178.116 -0.416 1
1 189 . 1 1 1 A 16 16 VAL CA C 16 67.100 66.963 0.137 1
1 190 . 1 1 1 A 16 16 VAL CB C 16 31.600 31.266 0.334 1
1 193 . 1 1 1 A 16 16 VAL N N 16 116.500 118.128 -1.628 1
1 194 . 1 1 1 A 17 17 ARG H H 17 7.900 7.884 0.016 1
1 195 . 1 1 1 A 17 17 ARG HA H 17 3.830 3.859 -0.029 1
1 202 . 1 1 1 A 17 17 ARG C C 17 178.000 178.506 -0.506 1
1 203 . 1 1 1 A 17 17 ARG CA C 17 59.700 59.663 0.037 1
1 204 . 1 1 1 A 17 17 ARG CB C 17 29.200 30.008 -0.808 1
1 207 . 1 1 1 A 17 17 ARG N N 17 119.000 120.209 -1.209 1
1 208 . 1 1 1 A 18 18 MET H H 18 8.210 8.188 0.022 1
1 209 . 1 1 1 A 18 18 MET HA H 18 4.090 4.209 -0.119 1
1 217 . 1 1 1 A 18 18 MET C C 18 179.400 178.180 1.220 1
1 218 . 1 1 1 A 18 18 MET CA C 18 59.500 58.333 1.167 1
1 219 . 1 1 1 A 18 18 MET CB C 18 33.600 32.296 1.304 1
1 222 . 1 1 1 A 18 18 MET N N 18 117.300 119.089 -1.789 1
1 223 . 1 1 1 A 19 19 VAL H H 19 7.790 8.049 -0.259 1
1 224 . 1 1 1 A 19 19 VAL HA H 19 3.390 3.652 -0.262 1
1 232 . 1 1 1 A 19 19 VAL C C 19 177.200 178.268 -1.068 1
1 233 . 1 1 1 A 19 19 VAL CA C 19 66.100 66.948 -0.848 1
1 234 . 1 1 1 A 19 19 VAL CB C 19 31.600 31.326 0.274 1
1 237 . 1 1 1 A 19 19 VAL N N 19 119.900 119.862 0.038 1
1 238 . 1 1 1 A 20 20 LEU H H 20 8.280 7.967 0.313 1
1 239 . 1 1 1 A 20 20 LEU HA H 20 4.070 3.917 0.153 1
1 249 . 1 1 1 A 20 20 LEU C C 20 180.600 179.334 1.266 1
1 250 . 1 1 1 A 20 20 LEU CA C 20 57.900 58.134 -0.234 1
1 251 . 1 1 1 A 20 20 LEU CB C 20 40.800 41.022 -0.222 1
1 255 . 1 1 1 A 20 20 LEU N N 20 118.400 119.209 -0.809 1
1 256 . 1 1 1 A 21 21 GLU H H 21 8.690 8.684 0.006 1
1 257 . 1 1 1 A 21 21 GLU HA H 21 4.230 3.934 0.296 1
1 262 . 1 1 1 A 21 21 GLU C C 21 178.200 178.829 -0.629 1
1 263 . 1 1 1 A 21 21 GLU CA C 21 57.900 59.925 -2.025 1
1 264 . 1 1 1 A 21 21 GLU CB C 21 29.700 29.259 0.441 1
1 266 . 1 1 1 A 21 21 GLU N N 21 115.900 118.536 -2.636 1
1 267 . 1 1 1 A 22 22 SER H H 22 7.580 7.979 -0.399 1
1 268 . 1 1 1 A 22 22 SER HA H 22 4.790 4.421 0.369 1
1 271 . 1 1 1 A 22 22 SER C C 22 175.200 175.759 -0.559 1
1 272 . 1 1 1 A 22 22 SER CA C 22 59.500 60.518 -1.018 1
1 273 . 1 1 1 A 22 22 SER CB C 22 64.500 63.747 0.753 1
1 274 . 1 1 1 A 22 22 SER N N 22 113.000 116.748 -3.748 1
1 275 . 1 1 1 A 23 23 GLN H H 23 7.780 7.706 0.074 1
1 276 . 1 1 1 A 23 23 GLN HA H 23 4.800 4.460 0.340 1
1 283 . 1 1 1 A 23 23 GLN C C 23 177.100 179.570 -2.470 1
1 284 . 1 1 1 A 23 23 GLN CA C 23 57.800 58.673 -0.873 1
1 285 . 1 1 1 A 23 23 GLN CB C 23 28.100 28.453 -0.353 1
1 287 . 1 1 1 A 23 23 GLN N N 23 119.900 121.513 -1.613 1
1 289 . 1 1 1 A 24 24 GLY H H 24 8.680 7.876 0.804 1
1 290 . 1 1 1 A 24 24 GLY HA2 H 24 3.860 3.656 0.204 1
1 291 . 1 1 1 A 24 24 GLY HA3 H 24 4.110 3.660 0.450 1
1 292 . 1 1 1 A 24 24 GLY C C 24 175.100 176.200 -1.100 1
1 293 . 1 1 1 A 24 24 GLY CA C 24 45.900 47.380 -1.480 1
1 294 . 1 1 1 A 24 24 GLY N N 24 108.500 109.269 -0.769 1
1 295 . 1 1 1 A 25 25 GLU H H 25 8.110 7.891 0.219 1
1 296 . 1 1 1 A 25 25 GLU HA H 25 4.210 4.121 0.089 1
1 301 . 1 1 1 A 25 25 GLU C C 25 175.400 176.182 -0.782 1
1 302 . 1 1 1 A 25 25 GLU CA C 25 56.100 58.376 -2.276 1
1 303 . 1 1 1 A 25 25 GLU CB C 25 29.700 30.471 -0.771 1
1 305 . 1 1 1 A 25 25 GLU N N 25 118.200 119.747 -1.547 1
1 306 . 1 1 1 A 26 26 TYR H H 26 7.690 8.504 -0.814 1
1 307 . 1 1 1 A 26 26 TYR HA H 26 4.690 4.912 -0.222 1
1 314 . 1 1 1 A 26 26 TYR C C 26 175.800 175.219 0.581 1
1 315 . 1 1 1 A 26 26 TYR CA C 26 57.000 57.131 -0.131 1
1 316 . 1 1 1 A 26 26 TYR CB C 26 42.200 40.048 2.152 1
1 321 . 1 1 1 A 26 26 TYR N N 26 117.700 117.095 0.605 1
1 322 . 1 1 1 A 27 27 ASP H H 27 8.850 8.939 -0.089 1
1 323 . 1 1 1 A 27 27 ASP HA H 27 4.520 4.542 -0.022 1
1 326 . 1 1 1 A 27 27 ASP C C 27 175.900 176.145 -0.245 1
1 327 . 1 1 1 A 27 27 ASP CA C 27 55.400 54.581 0.819 1
1 328 . 1 1 1 A 27 27 ASP CB C 27 41.200 41.072 0.128 1
1 329 . 1 1 1 A 27 27 ASP N N 27 117.500 124.197 -6.697 1
1 330 . 1 1 1 A 28 28 SER H H 28 7.550 7.700 -0.150 1
1 331 . 1 1 1 A 28 28 SER HA H 28 4.740 4.521 0.219 1
1 334 . 1 1 1 A 28 28 SER CA C 28 57.200 59.004 -1.804 1
1 335 . 1 1 1 A 28 28 SER CB C 28 65.800 62.955 2.845 1
1 336 . 1 1 1 A 28 28 SER N N 28 109.000 116.435 -7.435 1
1 337 . 1 1 1 A 29 29 GLN HA H 29 3.950 3.826 0.124 1
1 344 . 1 1 1 A 29 29 GLN C C 29 178.100 177.563 0.537 1
1 345 . 1 1 1 A 29 29 GLN CA C 29 60.200 58.926 1.274 1
1 346 . 1 1 1 A 29 29 GLN CB C 29 29.900 28.355 1.545 1
1 349 . 1 1 1 A 30 30 TRP H H 30 9.010 7.908 1.102 1
1 350 . 1 1 1 A 30 30 TRP HA H 30 4.720 4.411 0.309 1
1 359 . 1 1 1 A 30 30 TRP C C 30 177.100 178.821 -1.721 1
1 360 . 1 1 1 A 30 30 TRP CA C 30 59.300 60.113 -0.813 1
1 361 . 1 1 1 A 30 30 TRP CB C 30 30.000 29.100 0.900 1
1 367 . 1 1 1 A 30 30 TRP N N 30 121.400 120.951 0.449 1
1 369 . 1 1 1 A 31 31 ALA H H 31 8.360 8.169 0.191 1
1 370 . 1 1 1 A 31 31 ALA HA H 31 3.790 3.904 -0.114 1
1 374 . 1 1 1 A 31 31 ALA C C 31 180.300 179.998 0.302 1
1 375 . 1 1 1 A 31 31 ALA CA C 31 55.300 55.104 0.196 1
1 376 . 1 1 1 A 31 31 ALA CB C 31 18.200 17.759 0.441 1
1 377 . 1 1 1 A 31 31 ALA N N 31 121.600 122.073 -0.473 1
1 378 . 1 1 1 A 32 32 THR H H 32 7.420 7.856 -0.436 1
1 379 . 1 1 1 A 32 32 THR HA H 32 2.620 3.825 -1.205 1
1 384 . 1 1 1 A 32 32 THR C C 32 176.700 176.479 0.221 1
1 385 . 1 1 1 A 32 32 THR CA C 32 66.200 67.417 -1.217 1
1 386 . 1 1 1 A 32 32 THR CB C 32 67.800 68.908 -1.108 1
1 388 . 1 1 1 A 32 32 THR N N 32 115.700 114.589 1.111 1
1 389 . 1 1 1 A 33 33 ILE H H 33 8.490 8.142 0.348 1
1 390 . 1 1 1 A 33 33 ILE HA H 33 3.180 3.591 -0.411 1
1 400 . 1 1 1 A 33 33 ILE C C 33 177.300 177.938 -0.638 1
1 401 . 1 1 1 A 33 33 ILE CA C 33 65.900 65.323 0.577 1
1 402 . 1 1 1 A 33 33 ILE CB C 33 37.700 37.778 -0.078 1
1 406 . 1 1 1 A 33 33 ILE N N 33 124.100 120.129 3.971 1
1 407 . 1 1 1 A 34 34 CYS H H 34 8.060 8.435 -0.375 1
1 408 . 1 1 1 A 34 34 CYS HA H 34 3.610 4.276 -0.666 1
1 411 . 1 1 1 A 34 34 CYS C C 34 175.800 176.309 -0.509 1
1 412 . 1 1 1 A 34 34 CYS CA C 34 63.800 62.114 1.686 1
1 413 . 1 1 1 A 34 34 CYS CB C 34 26.400 27.378 -0.978 1
1 414 . 1 1 1 A 34 34 CYS N N 34 115.900 121.358 -5.458 1
1 415 . 1 1 1 A 35 35 SER H H 35 7.150 7.437 -0.287 1
1 416 . 1 1 1 A 35 35 SER HA H 35 4.260 4.386 -0.126 1
1 419 . 1 1 1 A 35 35 SER C C 35 175.500 175.888 -0.388 1
1 420 . 1 1 1 A 35 35 SER CA C 35 60.200 61.413 -1.213 1
1 421 . 1 1 1 A 35 35 SER CB C 35 63.600 63.444 0.156 1
1 422 . 1 1 1 A 35 35 SER N N 35 113.600 115.806 -2.206 1
1 423 . 1 1 1 A 36 36 ILE H H 36 7.650 7.310 0.340 1
1 424 . 1 1 1 A 36 36 ILE HA H 36 3.850 3.862 -0.012 1
1 434 . 1 1 1 A 36 36 ILE C C 36 176.900 177.875 -0.975 1
1 435 . 1 1 1 A 36 36 ILE CA C 36 61.700 64.062 -2.362 1
1 436 . 1 1 1 A 36 36 ILE CB C 36 37.700 37.005 0.695 1
1 440 . 1 1 1 A 36 36 ILE N N 36 120.700 122.501 -1.801 1
1 441 . 1 1 1 A 37 37 ALA H H 37 8.200 8.172 0.028 1
1 442 . 1 1 1 A 37 37 ALA HA H 37 3.860 3.946 -0.086 1
1 446 . 1 1 1 A 37 37 ALA CA C 37 57.400 57.257 0.143 1
1 447 . 1 1 1 A 37 37 ALA CB C 37 14.900 16.726 -1.826 1
1 448 . 1 1 1 A 37 37 ALA N N 37 122.200 123.973 -1.773 1
1 449 . 1 1 1 A 38 38 PRO HA H 38 4.470 4.404 0.066 1
1 456 . 1 1 1 A 38 38 PRO C C 38 178.800 178.759 0.041 1
1 457 . 1 1 1 A 38 38 PRO CA C 38 65.600 64.982 0.618 1
1 458 . 1 1 1 A 38 38 PRO CB C 38 31.000 31.370 -0.370 1
1 461 . 1 1 1 A 39 39 LYS H H 39 7.680 7.879 -0.199 1
1 462 . 1 1 1 A 39 39 LYS HA H 39 4.150 4.087 0.063 1
1 471 . 1 1 1 A 39 39 LYS C C 39 177.800 178.498 -0.698 1
1 472 . 1 1 1 A 39 39 LYS CA C 39 58.000 59.276 -1.276 1
1 473 . 1 1 1 A 39 39 LYS CB C 39 31.800 32.258 -0.458 1
1 477 . 1 1 1 A 39 39 LYS N N 39 115.500 118.230 -2.730 1
1 478 . 1 1 1 A 40 40 ILE H H 40 7.540 7.304 0.236 1
1 479 . 1 1 1 A 40 40 ILE HA H 40 4.130 4.148 -0.018 1
1 489 . 1 1 1 A 40 40 ILE C C 40 176.500 176.410 0.090 1
1 490 . 1 1 1 A 40 40 ILE CA C 40 59.600 62.450 -2.850 1
1 491 . 1 1 1 A 40 40 ILE CB C 40 37.300 38.620 -1.320 1
1 495 . 1 1 1 A 40 40 ILE N N 40 117.500 117.332 0.168 1
1 496 . 1 1 1 A 41 41 GLY H H 41 8.430 8.524 -0.094 1
1 497 . 1 1 1 A 41 41 GLY HA2 H 41 4.550 4.043 0.507 1
1 498 . 1 1 1 A 41 41 GLY HA3 H 41 3.790 4.061 -0.271 1
1 499 . 1 1 1 A 41 41 GLY C C 41 173.900 173.740 0.160 1
1 500 . 1 1 1 A 41 41 GLY CA C 41 44.900 46.189 -1.289 1
1 501 . 1 1 1 A 41 41 GLY N N 41 105.100 108.654 -3.554 1
1 502 . 1 1 1 A 42 42 CYS H H 42 7.360 7.604 -0.244 1
1 503 . 1 1 1 A 42 42 CYS HA H 42 5.220 5.030 0.190 1
1 506 . 1 1 1 A 42 42 CYS C C 42 173.100 172.917 0.183 1
1 507 . 1 1 1 A 42 42 CYS CA C 42 53.300 57.326 -4.026 1
1 508 . 1 1 1 A 42 42 CYS CB C 42 31.700 31.591 0.109 1
1 509 . 1 1 1 A 42 42 CYS N N 42 115.400 115.563 -0.163 1
1 510 . 1 1 1 A 43 43 THR H H 43 8.550 8.408 0.142 1
1 511 . 1 1 1 A 43 43 THR HA H 43 4.560 4.856 -0.296 1
1 516 . 1 1 1 A 43 43 THR CA C 43 59.800 59.515 0.285 1
1 517 . 1 1 1 A 43 43 THR CB C 43 68.500 69.189 -0.689 1
1 519 . 1 1 1 A 43 43 THR N N 43 111.500 113.291 -1.791 1
1 520 . 1 1 1 A 44 44 PRO HA H 44 3.680 4.173 -0.493 1
1 527 . 1 1 1 A 44 44 PRO C C 44 177.300 179.086 -1.786 1
1 528 . 1 1 1 A 44 44 PRO CA C 44 65.200 65.311 -0.111 1
1 529 . 1 1 1 A 44 44 PRO CB C 44 32.400 31.836 0.564 1
1 532 . 1 1 1 A 45 45 GLU H H 45 8.900 8.284 0.616 1
1 533 . 1 1 1 A 45 45 GLU HA H 45 3.990 4.043 -0.053 1
1 538 . 1 1 1 A 45 45 GLU C C 45 179.000 179.198 -0.198 1
1 539 . 1 1 1 A 45 45 GLU CA C 45 61.300 59.485 1.815 1
1 540 . 1 1 1 A 45 45 GLU CB C 45 28.200 29.262 -1.062 1
1 542 . 1 1 1 A 45 45 GLU N N 45 117.100 118.195 -1.095 1
1 543 . 1 1 1 A 46 46 THR H H 46 7.680 7.505 0.175 1
1 544 . 1 1 1 A 46 46 THR HA H 46 3.560 3.740 -0.180 1
1 549 . 1 1 1 A 46 46 THR C C 46 173.800 175.750 -1.950 1
1 550 . 1 1 1 A 46 46 THR CA C 46 66.300 66.726 -0.426 1
1 551 . 1 1 1 A 46 46 THR CB C 46 68.000 67.438 0.562 1
1 553 . 1 1 1 A 46 46 THR N N 46 118.800 118.508 0.292 1
1 554 . 1 1 1 A 47 47 LEU H H 47 7.040 8.176 -1.136 1
1 555 . 1 1 1 A 47 47 LEU HA H 47 3.170 3.678 -0.508 1
1 565 . 1 1 1 A 47 47 LEU C C 47 177.500 178.421 -0.921 1
1 566 . 1 1 1 A 47 47 LEU CA C 47 56.800 57.907 -1.107 1
1 567 . 1 1 1 A 47 47 LEU CB C 47 40.500 41.561 -1.061 1
1 571 . 1 1 1 A 47 47 LEU N N 47 120.600 120.789 -0.189 1
1 572 . 1 1 1 A 48 48 ARG H H 48 8.430 7.924 0.506 1
1 573 . 1 1 1 A 48 48 ARG HA H 48 3.880 3.956 -0.076 1
1 580 . 1 1 1 A 48 48 ARG C C 48 177.400 178.583 -1.183 1
1 581 . 1 1 1 A 48 48 ARG CA C 48 60.200 59.002 1.198 1
1 582 . 1 1 1 A 48 48 ARG CB C 48 30.500 29.701 0.799 1
1 585 . 1 1 1 A 48 48 ARG N N 48 118.200 119.455 -1.255 1
1 586 . 1 1 1 A 49 49 VAL H H 49 7.400 7.460 -0.060 1
1 587 . 1 1 1 A 49 49 VAL HA H 49 3.630 3.603 0.027 1
1 595 . 1 1 1 A 49 49 VAL C C 49 178.900 178.214 0.686 1
1 596 . 1 1 1 A 49 49 VAL CA C 49 67.200 66.323 0.877 1
1 597 . 1 1 1 A 49 49 VAL CB C 49 30.700 31.420 -0.720 1
1 600 . 1 1 1 A 49 49 VAL N N 49 120.300 119.000 1.300 1
1 601 . 1 1 1 A 50 50 TRP H H 50 7.850 7.937 -0.087 1
1 602 . 1 1 1 A 50 50 TRP HA H 50 4.740 4.461 0.279 1
1 611 . 1 1 1 A 50 50 TRP C C 50 180.400 179.102 1.298 1
1 612 . 1 1 1 A 50 50 TRP CA C 50 57.800 60.051 -2.251 1
1 613 . 1 1 1 A 50 50 TRP CB C 50 28.700 29.172 -0.472 1
1 619 . 1 1 1 A 50 50 TRP N N 50 120.300 120.018 0.282 1
1 621 . 1 1 1 A 51 51 VAL H H 51 8.820 8.225 0.595 1
1 622 . 1 1 1 A 51 51 VAL HA H 51 3.690 3.708 -0.018 1
1 630 . 1 1 1 A 51 51 VAL C C 51 177.700 178.265 -0.565 1
1 631 . 1 1 1 A 51 51 VAL CA C 51 66.800 66.766 0.034 1
1 632 . 1 1 1 A 51 51 VAL CB C 51 32.000 31.364 0.636 1
1 635 . 1 1 1 A 51 51 VAL N N 51 121.300 119.972 1.328 1
1 636 . 1 1 1 A 52 52 ARG H H 52 8.740 8.220 0.520 1
1 637 . 1 1 1 A 52 52 ARG HA H 52 4.260 4.005 0.255 1
1 644 . 1 1 1 A 52 52 ARG C C 52 179.500 178.054 1.446 1
1 645 . 1 1 1 A 52 52 ARG CA C 52 58.900 59.652 -0.752 1
1 646 . 1 1 1 A 52 52 ARG CB C 52 29.900 29.621 0.279 1
1 649 . 1 1 1 A 52 52 ARG N N 52 120.200 120.010 0.190 1
1 650 . 1 1 1 A 53 53 GLN H H 53 8.540 8.314 0.226 1
1 651 . 1 1 1 A 53 53 GLN HA H 53 4.050 4.157 -0.107 1
1 658 . 1 1 1 A 53 53 GLN C C 53 177.600 178.879 -1.279 1
1 659 . 1 1 1 A 53 53 GLN CA C 53 58.700 58.734 -0.034 1
1 660 . 1 1 1 A 53 53 GLN CB C 53 28.100 28.294 -0.194 1
1 662 . 1 1 1 A 53 53 GLN N N 53 119.100 118.671 0.429 1
1 664 . 1 1 1 A 54 54 HIS H H 54 8.010 8.563 -0.553 1
1 665 . 1 1 1 A 54 54 HIS HA H 54 4.410 4.219 0.191 1
1 668 . 1 1 1 A 54 54 HIS C C 54 177.800 177.037 0.763 1
1 669 . 1 1 1 A 54 54 HIS CA C 54 59.700 59.180 0.520 1
1 670 . 1 1 1 A 54 54 HIS CB C 54 30.600 30.028 0.572 1
1 671 . 1 1 1 A 54 54 HIS N N 54 119.300 119.777 -0.477 1
1 672 . 1 1 1 A 55 55 GLU H H 55 8.460 8.105 0.355 1
1 673 . 1 1 1 A 55 55 GLU HA H 55 3.940 3.918 0.022 1
1 678 . 1 1 1 A 55 55 GLU C C 55 178.400 178.916 -0.516 1
1 679 . 1 1 1 A 55 55 GLU CA C 55 58.800 59.377 -0.577 1
1 680 . 1 1 1 A 55 55 GLU CB C 55 29.800 29.417 0.383 1
1 682 . 1 1 1 A 55 55 GLU N N 55 119.700 118.887 0.813 1
1 683 . 1 1 1 A 56 56 ARG H H 56 7.990 7.509 0.481 1
1 684 . 1 1 1 A 56 56 ARG HA H 56 4.160 4.267 -0.107 1
1 691 . 1 1 1 A 56 56 ARG C C 56 177.800 178.017 -0.217 1
1 692 . 1 1 1 A 56 56 ARG CA C 56 58.100 57.836 0.264 1
1 693 . 1 1 1 A 56 56 ARG CB C 56 30.100 29.902 0.198 1
1 696 . 1 1 1 A 56 56 ARG N N 56 119.200 119.717 -0.517 1
1 697 . 1 1 1 A 57 57 ASP H H 57 8.300 7.864 0.436 1
1 698 . 1 1 1 A 57 57 ASP HA H 57 4.550 4.429 0.121 1
1 701 . 1 1 1 A 57 57 ASP C C 57 177.400 178.229 -0.829 1
1 702 . 1 1 1 A 57 57 ASP CA C 57 55.800 56.915 -1.115 1
1 703 . 1 1 1 A 57 57 ASP CB C 57 40.800 41.100 -0.300 1
1 704 . 1 1 1 A 57 57 ASP N N 57 120.000 120.667 -0.667 1
1 705 . 1 1 1 A 58 58 THR H H 58 7.890 7.581 0.309 1
1 706 . 1 1 1 A 58 58 THR HA H 58 4.310 4.058 0.252 1
1 711 . 1 1 1 A 58 58 THR C C 58 175.500 175.481 0.019 1
1 712 . 1 1 1 A 58 58 THR CA C 58 62.200 65.994 -3.794 1
1 713 . 1 1 1 A 58 58 THR CB C 58 69.800 68.197 1.603 1
1 715 . 1 1 1 A 58 58 THR N N 58 111.300 114.325 -3.025 1
1 716 . 1 1 1 A 59 59 GLY H H 59 8.070 7.923 0.147 1
1 717 . 1 1 1 A 59 59 GLY HA2 H 59 4.010 3.949 0.061 1
1 718 . 1 1 1 A 59 59 GLY HA3 H 59 4.010 3.951 0.059 1
1 719 . 1 1 1 A 59 59 GLY C C 59 174.700 173.508 1.192 1
1 720 . 1 1 1 A 59 59 GLY CA C 59 45.600 46.903 -1.303 1
1 721 . 1 1 1 A 59 59 GLY N N 59 110.600 108.644 1.956 1
1 722 . 1 1 1 A 60 60 GLY H H 60 8.260 8.660 -0.400 1
1 723 . 1 1 1 A 60 60 GLY HA2 H 60 3.990 4.086 -0.096 1
1 724 . 1 1 1 A 60 60 GLY HA3 H 60 3.990 4.088 -0.098 1
1 725 . 1 1 1 A 60 60 GLY C C 60 173.900 172.186 1.714 1
1 726 . 1 1 1 A 60 60 GLY CA C 60 45.100 44.974 0.126 1
1 727 . 1 1 1 A 60 60 GLY N N 60 108.700 111.135 -2.435 1
1 728 . 1 1 1 A 61 61 ASP H H 61 8.320 9.015 -0.695 1
1 729 . 1 1 1 A 61 61 ASP HA H 61 4.650 5.398 -0.748 1
1 732 . 1 1 1 A 61 61 ASP C C 61 176.200 174.064 2.136 1
1 733 . 1 1 1 A 61 61 ASP CA C 61 54.200 53.099 1.101 1
1 734 . 1 1 1 A 61 61 ASP CB C 61 41.300 44.617 -3.317 1
1 735 . 1 1 1 A 61 61 ASP N N 61 120.500 121.776 -1.276 1
1 736 . 1 1 1 A 62 62 ASP H H 62 8.400 8.691 -0.291 1
1 737 . 1 1 1 A 62 62 ASP HA H 62 4.600 5.007 -0.407 1
1 740 . 1 1 1 A 62 62 ASP C C 62 177.100 174.531 2.569 1
1 741 . 1 1 1 A 62 62 ASP CA C 62 54.200 53.861 0.339 1
1 742 . 1 1 1 A 62 62 ASP CB C 62 41.100 44.912 -3.812 1
1 743 . 1 1 1 A 62 62 ASP N N 62 121.100 118.537 2.563 1
1 744 . 1 1 1 A 63 63 GLY H H 63 8.500 8.845 -0.345 1
1 745 . 1 1 1 A 63 63 GLY HA2 H 63 3.950 3.979 -0.029 1
1 746 . 1 1 1 A 63 63 GLY HA3 H 63 3.950 3.980 -0.030 1
1 747 . 1 1 1 A 63 63 GLY C C 63 175.000 174.034 0.966 1
1 748 . 1 1 1 A 63 63 GLY CA C 63 45.700 46.234 -0.534 1
1 749 . 1 1 1 A 63 63 GLY N N 63 109.400 113.616 -4.216 1
1 750 . 1 1 1 A 64 64 GLY H H 64 8.360 8.298 0.062 1
1 751 . 1 1 1 A 64 64 GLY HA2 H 64 3.950 4.198 -0.248 1
1 752 . 1 1 1 A 64 64 GLY HA3 H 64 3.950 4.198 -0.248 1
1 753 . 1 1 1 A 64 64 GLY C C 64 174.300 172.638 1.662 1
1 754 . 1 1 1 A 64 64 GLY CA C 64 45.300 45.760 -0.460 1
1 755 . 1 1 1 A 64 64 GLY N N 64 108.700 110.995 -2.295 1
1 756 . 1 1 1 A 65 65 LEU H H 65 8.020 8.761 -0.741 1
1 757 . 1 1 1 A 65 65 LEU HA H 65 4.460 4.829 -0.369 1
1 767 . 1 1 1 A 65 65 LEU C C 65 178.000 176.738 1.262 1
1 768 . 1 1 1 A 65 65 LEU CA C 65 55.200 53.664 1.536 1
1 769 . 1 1 1 A 65 65 LEU CB C 65 42.700 43.568 -0.868 1
1 773 . 1 1 1 A 65 65 LEU N N 65 121.300 124.429 -3.129 1
1 774 . 1 1 1 A 66 66 THR H H 66 8.470 8.637 -0.167 1
1 775 . 1 1 1 A 66 66 THR HA H 66 4.440 4.401 0.039 1
1 780 . 1 1 1 A 66 66 THR C C 66 175.200 174.809 0.391 1
1 781 . 1 1 1 A 66 66 THR CA C 66 61.600 63.227 -1.627 1
1 782 . 1 1 1 A 66 66 THR CB C 66 70.200 68.799 1.401 1
1 784 . 1 1 1 A 66 66 THR N N 66 114.300 118.970 -4.670 1
1 785 . 1 1 1 A 67 67 THR H H 67 8.370 8.490 -0.120 1
1 786 . 1 1 1 A 67 67 THR HA H 67 4.110 4.880 -0.770 1
1 791 . 1 1 1 A 67 67 THR C C 67 175.300 173.866 1.434 1
1 792 . 1 1 1 A 67 67 THR CA C 67 63.900 60.424 3.476 1
1 793 . 1 1 1 A 67 67 THR CB C 67 69.100 70.461 -1.361 1
1 795 . 1 1 1 A 67 67 THR N N 67 116.600 118.745 -2.145 1
1 796 . 1 1 1 A 68 68 ALA H H 68 8.340 8.584 -0.244 1
1 797 . 1 1 1 A 68 68 ALA HA H 68 4.220 4.376 -0.156 1
1 801 . 1 1 1 A 68 68 ALA C C 68 179.100 177.635 1.465 1
1 802 . 1 1 1 A 68 68 ALA CA C 68 53.800 50.966 2.834 1
1 803 . 1 1 1 A 68 68 ALA CB C 68 18.700 18.474 0.226 1
1 804 . 1 1 1 A 68 68 ALA N N 68 124.500 126.417 -1.917 1
1 805 . 1 1 1 A 69 69 GLU H H 69 8.090 8.582 -0.492 1
1 806 . 1 1 1 A 69 69 GLU HA H 69 4.140 4.204 -0.064 1
1 811 . 1 1 1 A 69 69 GLU C C 69 177.800 177.903 -0.103 1
1 812 . 1 1 1 A 69 69 GLU CA C 69 57.700 58.943 -1.243 1
1 813 . 1 1 1 A 69 69 GLU CB C 69 30.100 30.319 -0.219 1
1 815 . 1 1 1 A 69 69 GLU N N 69 119.000 124.240 -5.240 1
1 816 . 1 1 1 A 70 70 ARG H H 70 8.300 7.991 0.309 1
1 817 . 1 1 1 A 70 70 ARG HA H 70 4.140 4.585 -0.445 1
1 824 . 1 1 1 A 70 70 ARG C C 70 177.400 176.260 1.140 1
1 825 . 1 1 1 A 70 70 ARG CA C 70 57.500 56.940 0.560 1
1 826 . 1 1 1 A 70 70 ARG CB C 70 30.300 32.777 -2.477 1
1 829 . 1 1 1 A 70 70 ARG N N 70 120.400 118.033 2.367 1
1 830 . 1 1 1 A 71 71 GLN H H 71 8.200 7.552 0.648 1
1 831 . 1 1 1 A 71 71 GLN HA H 71 4.200 4.359 -0.159 1
1 838 . 1 1 1 A 71 71 GLN C C 71 176.600 175.123 1.477 1
1 839 . 1 1 1 A 71 71 GLN CA C 71 56.800 55.843 0.957 1
1 840 . 1 1 1 A 71 71 GLN CB C 71 28.900 29.608 -0.708 1
1 842 . 1 1 1 A 71 71 GLN N N 71 119.500 118.960 0.540 1
1 844 . 1 1 1 A 72 72 ARG H H 72 7.990 8.715 -0.725 1
1 845 . 1 1 1 A 72 72 ARG HA H 72 4.240 4.695 -0.455 1
1 847 . 1 1 1 A 72 72 ARG C C 72 176.600 176.001 0.599 1
1 848 . 1 1 1 A 72 72 ARG CA C 72 56.900 56.315 0.585 1
1 849 . 1 1 1 A 72 72 ARG CB C 72 30.500 30.796 -0.296 1
1 852 . 1 1 1 A 72 72 ARG N N 72 120.600 126.331 -5.731 1
1 853 . 1 1 1 A 73 73 LEU H H 73 7.980 8.889 -0.909 1
1 854 . 1 1 1 A 73 73 LEU HA H 73 4.280 4.627 -0.347 1
1 864 . 1 1 1 A 73 73 LEU C C 73 177.100 176.895 0.205 1
1 865 . 1 1 1 A 73 73 LEU CA C 73 55.300 54.181 1.119 1
1 866 . 1 1 1 A 73 73 LEU CB C 73 42.200 42.461 -0.261 1
1 870 . 1 1 1 A 73 73 LEU N N 73 121.400 127.714 -6.314 1
1 871 . 1 1 1 A 74 74 LYS H H 74 8.050 8.730 -0.680 1
1 872 . 1 1 1 A 74 74 LYS HA H 74 4.300 5.054 -0.754 1
1 881 . 1 1 1 A 74 74 LYS C C 74 176.100 175.161 0.939 1
1 882 . 1 1 1 A 74 74 LYS CA C 74 56.000 55.229 0.771 1
1 883 . 1 1 1 A 74 74 LYS CB C 74 33.000 34.677 -1.677 1
1 887 . 1 1 1 A 74 74 LYS N N 74 121.000 118.080 2.920 1
1 888 . 1 1 1 A 75 75 GLU H H 75 8.360 8.830 -0.470 1
1 889 . 1 1 1 A 75 75 GLU HA H 75 4.550 4.816 -0.266 1
1 894 . 1 1 1 A 75 75 GLU CA C 75 54.400 52.994 1.406 1
1 895 . 1 1 1 A 75 75 GLU CB C 75 29.600 30.298 -0.698 1
1 897 . 1 1 1 A 75 75 GLU N N 75 123.800 125.369 -1.569 1
1 898 . 1 1 1 A 76 76 PRO HA H 76 4.410 4.632 -0.222 1
1 905 . 1 1 1 A 76 76 PRO C C 76 177.000 176.197 0.803 1
1 906 . 1 1 1 A 76 76 PRO CA C 76 63.300 62.314 0.986 1
1 907 . 1 1 1 A 76 76 PRO CB C 76 32.000 32.574 -0.574 1
1 910 . 1 1 1 A 77 77 GLU H H 77 8.580 8.451 0.129 1
1 911 . 1 1 1 A 77 77 GLU HA H 77 4.220 4.558 -0.338 1
1 916 . 1 1 1 A 77 77 GLU C C 77 176.700 177.355 -0.655 1
1 917 . 1 1 1 A 77 77 GLU CA C 77 56.800 55.018 1.782 1
1 918 . 1 1 1 A 77 77 GLU CB C 77 29.900 31.888 -1.988 1
1 920 . 1 1 1 A 77 77 GLU N N 77 120.800 120.125 0.675 1
1 921 . 1 1 1 A 78 78 ARG H H 78 8.330 8.862 -0.532 1
1 922 . 1 1 1 A 78 78 ARG HA H 78 4.270 4.076 0.194 1
1 925 . 1 1 1 A 78 78 ARG C C 78 176.500 176.297 0.203 1
1 926 . 1 1 1 A 78 78 ARG CA C 78 56.700 58.491 -1.791 1
1 927 . 1 1 1 A 78 78 ARG CB C 78 30.600 30.165 0.435 1
1 930 . 1 1 1 A 78 78 ARG N N 78 122.000 123.550 -1.550 1
1 931 . 1 1 1 A 79 79 GLU H H 79 8.020 7.911 0.109 1
1 932 . 1 1 1 A 79 79 GLU HA H 79 4.230 4.314 -0.084 1
1 937 . 1 1 1 A 79 79 GLU C C 79 176.100 175.803 0.297 1
1 938 . 1 1 1 A 79 79 GLU CA C 79 56.500 56.438 0.062 1
1 939 . 1 1 1 A 79 79 GLU CB C 79 30.200 29.555 0.645 1
1 941 . 1 1 1 A 79 79 GLU N N 79 121.900 115.613 6.287 1
1 942 . 1 1 1 A 80 80 ASN H H 80 8.510 8.679 -0.169 1
1 943 . 1 1 1 A 80 80 ASN HA H 80 4.690 5.040 -0.350 1
1 948 . 1 1 1 A 80 80 ASN C C 80 175.400 174.619 0.781 1
1 949 . 1 1 1 A 80 80 ASN CA C 80 53.300 52.525 0.775 1
1 950 . 1 1 1 A 80 80 ASN CB C 80 38.500 37.492 1.008 1
1 951 . 1 1 1 A 80 80 ASN N N 80 120.000 121.516 -1.516 1
1 953 . 1 1 1 A 81 81 ARG H H 81 8.400 8.022 0.378 1
1 954 . 1 1 1 A 81 81 ARG HA H 81 4.250 4.505 -0.255 1
1 961 . 1 1 1 A 81 81 ARG C C 81 175.600 175.891 -0.291 1
1 962 . 1 1 1 A 81 81 ARG CA C 81 56.500 55.020 1.480 1
1 963 . 1 1 1 A 81 81 ARG CB C 81 30.800 31.300 -0.500 1
1 966 . 1 1 1 A 81 81 ARG N N 81 121.900 124.731 -2.831 1
1 967 . 1 1 1 A 82 82 GLU H H 82 8.410 8.566 -0.156 1
1 968 . 1 1 1 A 82 82 GLU HA H 82 4.240 4.345 -0.105 1
1 973 . 1 1 1 A 82 82 GLU C C 82 176.400 175.910 0.490 1
1 974 . 1 1 1 A 82 82 GLU CA C 82 56.700 57.151 -0.451 1
1 975 . 1 1 1 A 82 82 GLU CB C 82 29.900 30.601 -0.701 1
1 977 . 1 1 1 A 82 82 GLU N N 82 120.900 121.927 -1.027 1
1 978 . 1 1 1 A 83 83 LEU H H 83 8.120 8.794 -0.674 1
1 979 . 1 1 1 A 83 83 LEU HA H 83 4.310 4.496 -0.186 1
1 988 . 1 1 1 A 83 83 LEU C C 83 177.100 177.968 -0.868 1
1 989 . 1 1 1 A 83 83 LEU CA C 83 55.200 55.496 -0.296 1
1 990 . 1 1 1 A 83 83 LEU CB C 83 42.100 45.457 -3.357 1
1 994 . 1 1 1 A 83 83 LEU N N 83 122.800 126.704 -3.904 1
1 995 . 1 1 1 A 84 84 ARG H H 84 8.260 8.185 0.075 1
1 996 . 1 1 1 A 84 84 ARG HA H 84 4.340 4.143 0.197 1
1 999 . 1 1 1 A 84 84 ARG C C 84 176.000 176.085 -0.085 1
1 1000 . 1 1 1 A 84 84 ARG CA C 84 55.900 58.613 -2.713 1
1 1001 . 1 1 1 A 84 84 ARG CB C 84 30.600 31.277 -0.677 1
1 1004 . 1 1 1 A 84 84 ARG N N 84 121.800 119.288 2.512 1
1 1005 . 1 1 1 A 85 85 ARG H H 85 8.390 8.365 0.025 1
1 1006 . 1 1 1 A 85 85 ARG HA H 85 4.390 4.114 0.276 1
1 1009 . 1 1 1 A 85 85 ARG C C 85 176.100 175.159 0.941 1
1 1010 . 1 1 1 A 85 85 ARG CA C 85 56.000 57.061 -1.061 1
1 1011 . 1 1 1 A 85 85 ARG CB C 85 31.000 29.325 1.675 1
1 1014 . 1 1 1 A 85 85 ARG N N 85 122.800 119.542 3.258 1
1 1015 . 1 1 1 A 86 86 SER H H 86 8.430 8.449 -0.019 1
1 1016 . 1 1 1 A 86 86 SER HA H 86 4.470 4.449 0.021 1
1 1019 . 1 1 1 A 86 86 SER C C 86 173.300 174.913 -1.613 1
1 1020 . 1 1 1 A 86 86 SER CA C 86 58.200 60.633 -2.433 1
1 1021 . 1 1 1 A 86 86 SER CB C 86 64.000 63.633 0.367 1
1 1022 . 1 1 1 A 86 86 SER N N 86 117.500 120.569 -3.069 1
1 1023 . 1 1 1 A 87 87 ASN H H 87 8.120 8.521 -0.401 1
1 1024 . 1 1 1 A 87 87 ASN HA H 87 4.470 4.881 -0.411 1
1 1029 . 1 1 1 A 87 87 ASN CA C 87 54.800 52.564 2.236 1
1 1030 . 1 1 1 A 87 87 ASN CB C 87 40.100 39.782 0.318 1
1 1031 . 1 1 1 A 87 87 ASN N N 87 125.900 122.676 3.224 1
1 1033 . 1 1 1 A 88 88 ASP HA H 88 4.640 4.739 -0.099 1
1 1036 . 1 1 1 A 88 88 ASP C C 88 175.700 177.274 -1.574 1
1 1037 . 1 1 1 A 88 88 ASP CA C 88 54.500 54.009 0.491 1
1 1038 . 1 1 1 A 88 88 ASP CB C 88 41.100 42.416 -1.316 1
1 1039 . 1 1 1 A 89 89 ILE H H 89 8.000 8.750 -0.750 1
1 1040 . 1 1 1 A 89 89 ILE HA H 89 4.160 3.765 0.395 1
1 1050 . 1 1 1 A 89 89 ILE C C 89 175.200 176.258 -1.058 1
1 1051 . 1 1 1 A 89 89 ILE CA C 89 61.100 65.045 -3.945 1
1 1052 . 1 1 1 A 89 89 ILE CB C 89 38.500 38.162 0.338 1
1 1056 . 1 1 1 A 89 89 ILE N N 89 120.400 124.720 -4.320 1
1 1057 . 1 1 1 A 90 90 LEU H H 90 7.880 8.309 -0.429 1
1 1058 . 1 1 1 A 90 90 LEU HA H 90 4.190 4.290 -0.100 1
1 1067 . 1 1 1 A 90 90 LEU CA C 90 56.700 55.804 0.896 1
1 1068 . 1 1 1 A 90 90 LEU CB C 90 43.300 41.811 1.489 1
1 1072 . 1 1 1 A 90 90 LEU N N 90 131.900 122.682 9.218 1
1 1073 . 1 1 1 A 93 93 ALA HA H 93 4.370 4.304 0.066 1
1 1077 . 1 1 1 A 93 93 ALA C C 93 176.600 176.392 0.208 1
1 1078 . 1 1 1 A 93 93 ALA CA C 93 52.300 51.940 0.360 1
1 1079 . 1 1 1 A 93 93 ALA CB C 93 19.200 18.109 1.091 1
1 1080 . 1 1 1 A 94 94 SER H H 94 7.910 8.420 -0.510 1
1 1081 . 1 1 1 A 94 94 SER HA H 94 4.250 4.767 -0.517 1
1 1084 . 1 1 1 A 94 94 SER CA C 94 59.900 56.514 3.386 1
1 1085 . 1 1 1 A 94 94 SER CB C 94 64.700 63.325 1.375 1
1 1 . 2 1 1 A 2 2 THR HA H 2 4.360 4.380 -0.020 1
1 6 . 2 1 1 A 2 2 THR C C 2 174.300 173.904 0.396 1
1 7 . 2 1 1 A 2 2 THR CA C 2 61.900 62.044 -0.144 1
1 8 . 2 1 1 A 2 2 THR CB C 2 69.900 70.026 -0.126 1
1 10 . 2 1 1 A 3 3 LYS H H 3 8.520 8.647 -0.127 1
1 11 . 2 1 1 A 3 3 LYS HA H 3 4.320 4.864 -0.544 1
1 20 . 2 1 1 A 3 3 LYS C C 3 176.100 175.881 0.219 1
1 21 . 2 1 1 A 3 3 LYS CA C 3 56.400 54.325 2.075 1
1 22 . 2 1 1 A 3 3 LYS CB C 3 33.000 35.633 -2.633 1
1 26 . 2 1 1 A 3 3 LYS N N 3 124.100 123.502 0.598 1
1 27 . 2 1 1 A 4 4 ASN H H 4 8.560 8.626 -0.066 1
1 28 . 2 1 1 A 4 4 ASN HA H 4 4.760 4.963 -0.203 1
1 33 . 2 1 1 A 4 4 ASN C C 4 175.200 174.442 0.758 1
1 34 . 2 1 1 A 4 4 ASN CA C 4 53.300 53.485 -0.185 1
1 35 . 2 1 1 A 4 4 ASN CB C 4 38.900 38.757 0.143 1
1 36 . 2 1 1 A 4 4 ASN N N 4 120.200 118.824 1.376 1
1 38 . 2 1 1 A 5 5 THR H H 5 8.130 8.930 -0.800 1
1 39 . 2 1 1 A 5 5 THR HA H 5 4.310 4.398 -0.088 1
1 44 . 2 1 1 A 5 5 THR C C 5 173.900 175.112 -1.212 1
1 45 . 2 1 1 A 5 5 THR CA C 5 61.800 62.183 -0.383 1
1 46 . 2 1 1 A 5 5 THR CB C 5 69.500 67.472 2.028 1
1 48 . 2 1 1 A 5 5 THR N N 5 114.900 121.040 -6.140 1
1 49 . 2 1 1 A 6 6 ARG H H 6 8.160 8.678 -0.518 1
1 50 . 2 1 1 A 6 6 ARG HA H 6 4.300 3.917 0.383 1
1 57 . 2 1 1 A 6 6 ARG C C 6 176.300 174.503 1.797 1
1 58 . 2 1 1 A 6 6 ARG CA C 6 56.300 57.737 -1.437 1
1 59 . 2 1 1 A 6 6 ARG CB C 6 30.700 28.017 2.683 1
1 62 . 2 1 1 A 6 6 ARG N N 6 123.600 124.674 -1.074 1
1 63 . 2 1 1 A 7 7 PHE H H 7 8.460 7.907 0.553 1
1 64 . 2 1 1 A 7 7 PHE HA H 7 4.760 4.834 -0.074 1
1 72 . 2 1 1 A 7 7 PHE C C 7 175.000 174.063 0.937 1
1 73 . 2 1 1 A 7 7 PHE CA C 7 56.700 55.626 1.074 1
1 74 . 2 1 1 A 7 7 PHE CB C 7 40.300 40.498 -0.198 1
1 80 . 2 1 1 A 7 7 PHE N N 7 121.500 120.988 0.512 1
1 81 . 2 1 1 A 8 8 SER H H 8 8.520 8.722 -0.202 1
1 82 . 2 1 1 A 8 8 SER HA H 8 4.600 4.551 0.049 1
1 85 . 2 1 1 A 8 8 SER CA C 8 56.700 56.428 0.272 1
1 86 . 2 1 1 A 8 8 SER CB C 8 62.600 63.310 -0.710 1
1 87 . 2 1 1 A 8 8 SER N N 8 121.500 124.233 -2.733 1
1 88 . 2 1 1 A 9 9 PRO HA H 9 3.920 4.012 -0.092 1
1 95 . 2 1 1 A 9 9 PRO C C 9 178.500 178.276 0.224 1
1 96 . 2 1 1 A 9 9 PRO CA C 9 65.800 65.379 0.421 1
1 97 . 2 1 1 A 9 9 PRO CB C 9 31.500 31.597 -0.097 1
1 100 . 2 1 1 A 10 10 GLU H H 10 8.610 8.952 -0.342 1
1 101 . 2 1 1 A 10 10 GLU HA H 10 3.990 4.054 -0.064 1
1 106 . 2 1 1 A 10 10 GLU C C 10 179.100 178.449 0.651 1
1 107 . 2 1 1 A 10 10 GLU CA C 10 60.000 58.384 1.616 1
1 108 . 2 1 1 A 10 10 GLU CB C 10 28.800 28.299 0.501 1
1 110 . 2 1 1 A 10 10 GLU N N 10 116.600 116.649 -0.049 1
1 111 . 2 1 1 A 11 11 VAL H H 11 7.510 7.727 -0.217 1
1 112 . 2 1 1 A 11 11 VAL HA H 11 3.610 3.410 0.200 1
1 120 . 2 1 1 A 11 11 VAL C C 11 177.700 177.729 -0.029 1
1 121 . 2 1 1 A 11 11 VAL CA C 11 66.400 66.760 -0.360 1
1 122 . 2 1 1 A 11 11 VAL CB C 11 31.600 31.309 0.291 1
1 125 . 2 1 1 A 11 11 VAL N N 11 122.700 121.023 1.677 1
1 126 . 2 1 1 A 12 12 ARG H H 12 7.800 7.466 0.334 1
1 127 . 2 1 1 A 12 12 ARG HA H 12 3.440 3.403 0.037 1
1 135 . 2 1 1 A 12 12 ARG C C 12 178.000 178.223 -0.223 1
1 136 . 2 1 1 A 12 12 ARG CA C 12 59.300 59.645 -0.345 1
1 137 . 2 1 1 A 12 12 ARG CB C 12 29.600 29.751 -0.151 1
1 140 . 2 1 1 A 12 12 ARG N N 12 118.700 119.755 -1.055 1
1 142 . 2 1 1 A 13 13 GLN H H 13 8.050 7.840 0.210 1
1 143 . 2 1 1 A 13 13 GLN HA H 13 3.860 3.860 0.000 1
1 150 . 2 1 1 A 13 13 GLN C C 13 178.800 178.240 0.560 1
1 151 . 2 1 1 A 13 13 GLN CA C 13 58.600 59.022 -0.422 1
1 152 . 2 1 1 A 13 13 GLN CB C 13 28.300 28.185 0.115 1
1 154 . 2 1 1 A 13 13 GLN N N 13 116.100 118.424 -2.324 1
1 156 . 2 1 1 A 14 14 ARG H H 14 7.750 7.935 -0.185 1
1 157 . 2 1 1 A 14 14 ARG HA H 14 3.970 3.922 0.048 1
1 164 . 2 1 1 A 14 14 ARG C C 14 177.900 177.851 0.049 1
1 165 . 2 1 1 A 14 14 ARG CA C 14 59.100 59.263 -0.163 1
1 166 . 2 1 1 A 14 14 ARG CB C 14 30.000 30.118 -0.118 1
1 169 . 2 1 1 A 14 14 ARG N N 14 120.400 119.690 0.710 1
1 170 . 2 1 1 A 15 15 ALA H H 15 8.500 7.746 0.754 1
1 171 . 2 1 1 A 15 15 ALA HA H 15 4.040 3.988 0.052 1
1 175 . 2 1 1 A 15 15 ALA C C 15 178.800 179.957 -1.157 1
1 176 . 2 1 1 A 15 15 ALA CA C 15 55.300 55.118 0.182 1
1 177 . 2 1 1 A 15 15 ALA CB C 15 19.700 17.938 1.762 1
1 178 . 2 1 1 A 15 15 ALA N N 15 122.200 122.076 0.124 1
1 179 . 2 1 1 A 16 16 VAL H H 16 8.230 7.711 0.519 1
1 180 . 2 1 1 A 16 16 VAL HA H 16 3.360 3.395 -0.035 1
1 188 . 2 1 1 A 16 16 VAL C C 16 177.700 178.234 -0.534 1
1 189 . 2 1 1 A 16 16 VAL CA C 16 67.100 66.756 0.344 1
1 190 . 2 1 1 A 16 16 VAL CB C 16 31.600 31.282 0.318 1
1 193 . 2 1 1 A 16 16 VAL N N 16 116.500 118.501 -2.001 1
1 194 . 2 1 1 A 17 17 ARG H H 17 7.900 8.064 -0.164 1
1 195 . 2 1 1 A 17 17 ARG HA H 17 3.830 3.880 -0.050 1
1 202 . 2 1 1 A 17 17 ARG C C 17 178.000 178.547 -0.547 1
1 203 . 2 1 1 A 17 17 ARG CA C 17 59.700 59.442 0.258 1
1 204 . 2 1 1 A 17 17 ARG CB C 17 29.200 29.467 -0.267 1
1 207 . 2 1 1 A 17 17 ARG N N 17 119.000 119.989 -0.989 1
1 208 . 2 1 1 A 18 18 MET H H 18 8.210 8.065 0.145 1
1 209 . 2 1 1 A 18 18 MET HA H 18 4.090 4.148 -0.058 1
1 217 . 2 1 1 A 18 18 MET C C 18 179.400 178.976 0.424 1
1 218 . 2 1 1 A 18 18 MET CA C 18 59.500 58.488 1.012 1
1 219 . 2 1 1 A 18 18 MET CB C 18 33.600 32.470 1.130 1
1 222 . 2 1 1 A 18 18 MET N N 18 117.300 118.337 -1.037 1
1 223 . 2 1 1 A 19 19 VAL H H 19 7.790 7.834 -0.044 1
1 224 . 2 1 1 A 19 19 VAL HA H 19 3.390 3.660 -0.270 1
1 232 . 2 1 1 A 19 19 VAL C C 19 177.200 178.159 -0.959 1
1 233 . 2 1 1 A 19 19 VAL CA C 19 66.100 67.004 -0.904 1
1 234 . 2 1 1 A 19 19 VAL CB C 19 31.600 31.526 0.074 1
1 237 . 2 1 1 A 19 19 VAL N N 19 119.900 119.648 0.252 1
1 238 . 2 1 1 A 20 20 LEU H H 20 8.280 8.338 -0.058 1
1 239 . 2 1 1 A 20 20 LEU HA H 20 4.070 3.903 0.167 1
1 249 . 2 1 1 A 20 20 LEU C C 20 180.600 179.430 1.170 1
1 250 . 2 1 1 A 20 20 LEU CA C 20 57.900 58.343 -0.443 1
1 251 . 2 1 1 A 20 20 LEU CB C 20 40.800 41.377 -0.577 1
1 255 . 2 1 1 A 20 20 LEU N N 20 118.400 119.282 -0.882 1
1 256 . 2 1 1 A 21 21 GLU H H 21 8.690 8.868 -0.178 1
1 257 . 2 1 1 A 21 21 GLU HA H 21 4.230 3.990 0.240 1
1 262 . 2 1 1 A 21 21 GLU C C 21 178.200 178.677 -0.477 1
1 263 . 2 1 1 A 21 21 GLU CA C 21 57.900 59.782 -1.882 1
1 264 . 2 1 1 A 21 21 GLU CB C 21 29.700 29.123 0.577 1
1 266 . 2 1 1 A 21 21 GLU N N 21 115.900 120.074 -4.174 1
1 267 . 2 1 1 A 22 22 SER H H 22 7.580 7.929 -0.349 1
1 268 . 2 1 1 A 22 22 SER HA H 22 4.790 4.057 0.733 1
1 271 . 2 1 1 A 22 22 SER C C 22 175.200 176.274 -1.074 1
1 272 . 2 1 1 A 22 22 SER CA C 22 59.500 60.900 -1.400 1
1 273 . 2 1 1 A 22 22 SER CB C 22 64.500 63.220 1.280 1
1 274 . 2 1 1 A 22 22 SER N N 22 113.000 116.983 -3.983 1
1 275 . 2 1 1 A 23 23 GLN H H 23 7.780 8.299 -0.519 1
1 276 . 2 1 1 A 23 23 GLN HA H 23 4.800 4.070 0.730 1
1 283 . 2 1 1 A 23 23 GLN C C 23 177.100 178.544 -1.444 1
1 284 . 2 1 1 A 23 23 GLN CA C 23 57.800 59.454 -1.654 1
1 285 . 2 1 1 A 23 23 GLN CB C 23 28.100 28.090 0.010 1
1 287 . 2 1 1 A 23 23 GLN N N 23 119.900 122.239 -2.339 1
1 289 . 2 1 1 A 24 24 GLY H H 24 8.680 8.096 0.584 1
1 290 . 2 1 1 A 24 24 GLY HA2 H 24 3.860 3.945 -0.085 1
1 291 . 2 1 1 A 24 24 GLY HA3 H 24 4.110 3.961 0.149 1
1 292 . 2 1 1 A 24 24 GLY C C 24 175.100 175.061 0.039 1
1 293 . 2 1 1 A 24 24 GLY CA C 24 45.900 45.876 0.024 1
1 294 . 2 1 1 A 24 24 GLY N N 24 108.500 106.882 1.618 1
1 295 . 2 1 1 A 25 25 GLU H H 25 8.110 7.721 0.389 1
1 296 . 2 1 1 A 25 25 GLU HA H 25 4.210 4.141 0.069 1
1 301 . 2 1 1 A 25 25 GLU C C 25 175.400 176.255 -0.855 1
1 302 . 2 1 1 A 25 25 GLU CA C 25 56.100 58.183 -2.083 1
1 303 . 2 1 1 A 25 25 GLU CB C 25 29.700 30.478 -0.778 1
1 305 . 2 1 1 A 25 25 GLU N N 25 118.200 120.749 -2.549 1
1 306 . 2 1 1 A 26 26 TYR H H 26 7.690 7.812 -0.122 1
1 307 . 2 1 1 A 26 26 TYR HA H 26 4.690 4.767 -0.077 1
1 314 . 2 1 1 A 26 26 TYR C C 26 175.800 175.421 0.379 1
1 315 . 2 1 1 A 26 26 TYR CA C 26 57.000 57.942 -0.942 1
1 316 . 2 1 1 A 26 26 TYR CB C 26 42.200 40.002 2.198 1
1 321 . 2 1 1 A 26 26 TYR N N 26 117.700 117.541 0.159 1
1 322 . 2 1 1 A 27 27 ASP H H 27 8.850 8.811 0.039 1
1 323 . 2 1 1 A 27 27 ASP HA H 27 4.520 4.792 -0.272 1
1 326 . 2 1 1 A 27 27 ASP C C 27 175.900 176.743 -0.843 1
1 327 . 2 1 1 A 27 27 ASP CA C 27 55.400 55.788 -0.388 1
1 328 . 2 1 1 A 27 27 ASP CB C 27 41.200 42.483 -1.283 1
1 329 . 2 1 1 A 27 27 ASP N N 27 117.500 121.999 -4.499 1
1 330 . 2 1 1 A 28 28 SER H H 28 7.550 7.706 -0.156 1
1 331 . 2 1 1 A 28 28 SER HA H 28 4.740 4.531 0.209 1
1 334 . 2 1 1 A 28 28 SER CA C 28 57.200 60.070 -2.870 1
1 335 . 2 1 1 A 28 28 SER CB C 28 65.800 63.475 2.325 1
1 336 . 2 1 1 A 28 28 SER N N 28 109.000 115.580 -6.580 1
1 337 . 2 1 1 A 29 29 GLN HA H 29 3.950 4.022 -0.072 1
1 344 . 2 1 1 A 29 29 GLN C C 29 178.100 177.616 0.484 1
1 345 . 2 1 1 A 29 29 GLN CA C 29 60.200 58.965 1.235 1
1 346 . 2 1 1 A 29 29 GLN CB C 29 29.900 28.621 1.279 1
1 349 . 2 1 1 A 30 30 TRP H H 30 9.010 8.295 0.715 1
1 350 . 2 1 1 A 30 30 TRP HA H 30 4.720 4.330 0.390 1
1 359 . 2 1 1 A 30 30 TRP C C 30 177.100 178.250 -1.150 1
1 360 . 2 1 1 A 30 30 TRP CA C 30 59.300 61.334 -2.034 1
1 361 . 2 1 1 A 30 30 TRP CB C 30 30.000 29.274 0.726 1
1 367 . 2 1 1 A 30 30 TRP N N 30 121.400 122.643 -1.243 1
1 369 . 2 1 1 A 31 31 ALA H H 31 8.360 8.279 0.081 1
1 370 . 2 1 1 A 31 31 ALA HA H 31 3.790 3.930 -0.140 1
1 374 . 2 1 1 A 31 31 ALA C C 31 180.300 179.946 0.354 1
1 375 . 2 1 1 A 31 31 ALA CA C 31 55.300 55.223 0.077 1
1 376 . 2 1 1 A 31 31 ALA CB C 31 18.200 18.066 0.134 1
1 377 . 2 1 1 A 31 31 ALA N N 31 121.600 120.833 0.767 1
1 378 . 2 1 1 A 32 32 THR H H 32 7.420 7.945 -0.525 1
1 379 . 2 1 1 A 32 32 THR HA H 32 2.620 3.941 -1.321 1
1 384 . 2 1 1 A 32 32 THR C C 32 176.700 176.446 0.254 1
1 385 . 2 1 1 A 32 32 THR CA C 32 66.200 67.441 -1.241 1
1 386 . 2 1 1 A 32 32 THR CB C 32 67.800 69.225 -1.425 1
1 388 . 2 1 1 A 32 32 THR N N 32 115.700 114.809 0.891 1
1 389 . 2 1 1 A 33 33 ILE H H 33 8.490 8.485 0.005 1
1 390 . 2 1 1 A 33 33 ILE HA H 33 3.180 3.739 -0.559 1
1 400 . 2 1 1 A 33 33 ILE C C 33 177.300 177.804 -0.504 1
1 401 . 2 1 1 A 33 33 ILE CA C 33 65.900 65.238 0.662 1
1 402 . 2 1 1 A 33 33 ILE CB C 33 37.700 37.767 -0.067 1
1 406 . 2 1 1 A 33 33 ILE N N 33 124.100 120.949 3.151 1
1 407 . 2 1 1 A 34 34 CYS H H 34 8.060 8.528 -0.468 1
1 408 . 2 1 1 A 34 34 CYS HA H 34 3.610 4.342 -0.732 1
1 411 . 2 1 1 A 34 34 CYS C C 34 175.800 175.625 0.175 1
1 412 . 2 1 1 A 34 34 CYS CA C 34 63.800 61.238 2.562 1
1 413 . 2 1 1 A 34 34 CYS CB C 34 26.400 27.159 -0.759 1
1 414 . 2 1 1 A 34 34 CYS N N 34 115.900 121.251 -5.351 1
1 415 . 2 1 1 A 35 35 SER H H 35 7.150 7.819 -0.669 1
1 416 . 2 1 1 A 35 35 SER HA H 35 4.260 4.528 -0.268 1
1 419 . 2 1 1 A 35 35 SER C C 35 175.500 175.339 0.161 1
1 420 . 2 1 1 A 35 35 SER CA C 35 60.200 60.556 -0.356 1
1 421 . 2 1 1 A 35 35 SER CB C 35 63.600 63.897 -0.297 1
1 422 . 2 1 1 A 35 35 SER N N 35 113.600 115.529 -1.929 1
1 423 . 2 1 1 A 36 36 ILE H H 36 7.650 7.653 -0.003 1
1 424 . 2 1 1 A 36 36 ILE HA H 36 3.850 3.929 -0.079 1
1 434 . 2 1 1 A 36 36 ILE C C 36 176.900 177.742 -0.842 1
1 435 . 2 1 1 A 36 36 ILE CA C 36 61.700 63.812 -2.112 1
1 436 . 2 1 1 A 36 36 ILE CB C 36 37.700 37.253 0.447 1
1 440 . 2 1 1 A 36 36 ILE N N 36 120.700 121.448 -0.748 1
1 441 . 2 1 1 A 37 37 ALA H H 37 8.200 8.154 0.046 1
1 442 . 2 1 1 A 37 37 ALA HA H 37 3.860 4.034 -0.174 1
1 446 . 2 1 1 A 37 37 ALA CA C 37 57.400 57.293 0.107 1
1 447 . 2 1 1 A 37 37 ALA CB C 37 14.900 16.839 -1.939 1
1 448 . 2 1 1 A 37 37 ALA N N 37 122.200 124.255 -2.055 1
1 449 . 2 1 1 A 38 38 PRO HA H 38 4.470 4.375 0.095 1
1 456 . 2 1 1 A 38 38 PRO C C 38 178.800 178.568 0.232 1
1 457 . 2 1 1 A 38 38 PRO CA C 38 65.600 65.012 0.588 1
1 458 . 2 1 1 A 38 38 PRO CB C 38 31.000 31.222 -0.222 1
1 461 . 2 1 1 A 39 39 LYS H H 39 7.680 8.362 -0.682 1
1 462 . 2 1 1 A 39 39 LYS HA H 39 4.150 4.095 0.055 1
1 471 . 2 1 1 A 39 39 LYS C C 39 177.800 179.125 -1.325 1
1 472 . 2 1 1 A 39 39 LYS CA C 39 58.000 59.047 -1.047 1
1 473 . 2 1 1 A 39 39 LYS CB C 39 31.800 32.220 -0.420 1
1 477 . 2 1 1 A 39 39 LYS N N 39 115.500 117.250 -1.750 1
1 478 . 2 1 1 A 40 40 ILE H H 40 7.540 7.549 -0.009 1
1 479 . 2 1 1 A 40 40 ILE HA H 40 4.130 4.099 0.031 1
1 489 . 2 1 1 A 40 40 ILE C C 40 176.500 176.324 0.176 1
1 490 . 2 1 1 A 40 40 ILE CA C 40 59.600 63.078 -3.478 1
1 491 . 2 1 1 A 40 40 ILE CB C 40 37.300 38.673 -1.373 1
1 495 . 2 1 1 A 40 40 ILE N N 40 117.500 117.057 0.443 1
1 496 . 2 1 1 A 41 41 GLY H H 41 8.430 8.877 -0.447 1
1 497 . 2 1 1 A 41 41 GLY HA2 H 41 4.550 4.045 0.505 1
1 498 . 2 1 1 A 41 41 GLY HA3 H 41 3.790 4.058 -0.268 1
1 499 . 2 1 1 A 41 41 GLY C C 41 173.900 173.656 0.244 1
1 500 . 2 1 1 A 41 41 GLY CA C 41 44.900 46.243 -1.343 1
1 501 . 2 1 1 A 41 41 GLY N N 41 105.100 108.310 -3.210 1
1 502 . 2 1 1 A 42 42 CYS H H 42 7.360 7.547 -0.187 1
1 503 . 2 1 1 A 42 42 CYS HA H 42 5.220 4.939 0.281 1
1 506 . 2 1 1 A 42 42 CYS C C 42 173.100 173.144 -0.044 1
1 507 . 2 1 1 A 42 42 CYS CA C 42 53.300 57.487 -4.187 1
1 508 . 2 1 1 A 42 42 CYS CB C 42 31.700 30.831 0.869 1
1 509 . 2 1 1 A 42 42 CYS N N 42 115.400 115.518 -0.118 1
1 510 . 2 1 1 A 43 43 THR H H 43 8.550 8.493 0.057 1
1 511 . 2 1 1 A 43 43 THR HA H 43 4.560 4.695 -0.135 1
1 516 . 2 1 1 A 43 43 THR CA C 43 59.800 60.292 -0.492 1
1 517 . 2 1 1 A 43 43 THR CB C 43 68.500 68.829 -0.329 1
1 519 . 2 1 1 A 43 43 THR N N 43 111.500 113.635 -2.135 1
1 520 . 2 1 1 A 44 44 PRO HA H 44 3.680 4.266 -0.586 1
1 527 . 2 1 1 A 44 44 PRO C C 44 177.300 178.724 -1.424 1
1 528 . 2 1 1 A 44 44 PRO CA C 44 65.200 65.071 0.129 1
1 529 . 2 1 1 A 44 44 PRO CB C 44 32.400 31.923 0.477 1
1 532 . 2 1 1 A 45 45 GLU H H 45 8.900 8.347 0.553 1
1 533 . 2 1 1 A 45 45 GLU HA H 45 3.990 3.966 0.024 1
1 538 . 2 1 1 A 45 45 GLU C C 45 179.000 179.253 -0.253 1
1 539 . 2 1 1 A 45 45 GLU CA C 45 61.300 59.486 1.814 1
1 540 . 2 1 1 A 45 45 GLU CB C 45 28.200 29.228 -1.028 1
1 542 . 2 1 1 A 45 45 GLU N N 45 117.100 117.967 -0.867 1
1 543 . 2 1 1 A 46 46 THR H H 46 7.680 7.846 -0.166 1
1 544 . 2 1 1 A 46 46 THR HA H 46 3.560 3.726 -0.166 1
1 549 . 2 1 1 A 46 46 THR C C 46 173.800 176.503 -2.703 1
1 550 . 2 1 1 A 46 46 THR CA C 46 66.300 66.646 -0.346 1
1 551 . 2 1 1 A 46 46 THR CB C 46 68.000 67.112 0.888 1
1 553 . 2 1 1 A 46 46 THR N N 46 118.800 117.965 0.835 1
1 554 . 2 1 1 A 47 47 LEU H H 47 7.040 7.625 -0.585 1
1 555 . 2 1 1 A 47 47 LEU HA H 47 3.170 3.946 -0.776 1
1 565 . 2 1 1 A 47 47 LEU C C 47 177.500 179.264 -1.764 1
1 566 . 2 1 1 A 47 47 LEU CA C 47 56.800 57.927 -1.127 1
1 567 . 2 1 1 A 47 47 LEU CB C 47 40.500 41.274 -0.774 1
1 571 . 2 1 1 A 47 47 LEU N N 47 120.600 121.585 -0.985 1
1 572 . 2 1 1 A 48 48 ARG H H 48 8.430 7.980 0.450 1
1 573 . 2 1 1 A 48 48 ARG HA H 48 3.880 3.943 -0.063 1
1 580 . 2 1 1 A 48 48 ARG C C 48 177.400 178.848 -1.448 1
1 581 . 2 1 1 A 48 48 ARG CA C 48 60.200 59.576 0.624 1
1 582 . 2 1 1 A 48 48 ARG CB C 48 30.500 29.674 0.826 1
1 585 . 2 1 1 A 48 48 ARG N N 48 118.200 118.829 -0.629 1
1 586 . 2 1 1 A 49 49 VAL H H 49 7.400 7.520 -0.120 1
1 587 . 2 1 1 A 49 49 VAL HA H 49 3.630 3.554 0.076 1
1 595 . 2 1 1 A 49 49 VAL C C 49 178.900 178.303 0.597 1
1 596 . 2 1 1 A 49 49 VAL CA C 49 67.200 66.364 0.836 1
1 597 . 2 1 1 A 49 49 VAL CB C 49 30.700 31.561 -0.861 1
1 600 . 2 1 1 A 49 49 VAL N N 49 120.300 119.690 0.610 1
1 601 . 2 1 1 A 50 50 TRP H H 50 7.850 8.252 -0.402 1
1 602 . 2 1 1 A 50 50 TRP HA H 50 4.740 4.477 0.263 1
1 611 . 2 1 1 A 50 50 TRP C C 50 180.400 179.092 1.308 1
1 612 . 2 1 1 A 50 50 TRP CA C 50 57.800 60.005 -2.205 1
1 613 . 2 1 1 A 50 50 TRP CB C 50 28.700 29.186 -0.486 1
1 619 . 2 1 1 A 50 50 TRP N N 50 120.300 119.901 0.399 1
1 621 . 2 1 1 A 51 51 VAL H H 51 8.820 8.464 0.356 1
1 622 . 2 1 1 A 51 51 VAL HA H 51 3.690 3.728 -0.038 1
1 630 . 2 1 1 A 51 51 VAL C C 51 177.700 177.910 -0.210 1
1 631 . 2 1 1 A 51 51 VAL CA C 51 66.800 66.793 0.007 1
1 632 . 2 1 1 A 51 51 VAL CB C 51 32.000 31.410 0.590 1
1 635 . 2 1 1 A 51 51 VAL N N 51 121.300 119.972 1.328 1
1 636 . 2 1 1 A 52 52 ARG H H 52 8.740 8.206 0.534 1
1 637 . 2 1 1 A 52 52 ARG HA H 52 4.260 3.962 0.298 1
1 644 . 2 1 1 A 52 52 ARG C C 52 179.500 178.699 0.801 1
1 645 . 2 1 1 A 52 52 ARG CA C 52 58.900 60.015 -1.115 1
1 646 . 2 1 1 A 52 52 ARG CB C 52 29.900 30.125 -0.225 1
1 649 . 2 1 1 A 52 52 ARG N N 52 120.200 119.872 0.328 1
1 650 . 2 1 1 A 53 53 GLN H H 53 8.540 8.407 0.133 1
1 651 . 2 1 1 A 53 53 GLN HA H 53 4.050 4.138 -0.088 1
1 658 . 2 1 1 A 53 53 GLN C C 53 177.600 178.784 -1.184 1
1 659 . 2 1 1 A 53 53 GLN CA C 53 58.700 58.695 0.005 1
1 660 . 2 1 1 A 53 53 GLN CB C 53 28.100 28.235 -0.135 1
1 662 . 2 1 1 A 53 53 GLN N N 53 119.100 119.276 -0.176 1
1 664 . 2 1 1 A 54 54 HIS H H 54 8.010 8.465 -0.455 1
1 665 . 2 1 1 A 54 54 HIS HA H 54 4.410 4.238 0.172 1
1 668 . 2 1 1 A 54 54 HIS C C 54 177.800 177.455 0.345 1
1 669 . 2 1 1 A 54 54 HIS CA C 54 59.700 60.063 -0.363 1
1 670 . 2 1 1 A 54 54 HIS CB C 54 30.600 29.423 1.177 1
1 671 . 2 1 1 A 54 54 HIS N N 54 119.300 119.897 -0.597 1
1 672 . 2 1 1 A 55 55 GLU H H 55 8.460 8.412 0.048 1
1 673 . 2 1 1 A 55 55 GLU HA H 55 3.940 3.980 -0.040 1
1 678 . 2 1 1 A 55 55 GLU C C 55 178.400 178.240 0.160 1
1 679 . 2 1 1 A 55 55 GLU CA C 55 58.800 58.909 -0.109 1
1 680 . 2 1 1 A 55 55 GLU CB C 55 29.800 29.110 0.690 1
1 682 . 2 1 1 A 55 55 GLU N N 55 119.700 118.594 1.106 1
1 683 . 2 1 1 A 56 56 ARG H H 56 7.990 7.617 0.373 1
1 684 . 2 1 1 A 56 56 ARG HA H 56 4.160 4.125 0.035 1
1 691 . 2 1 1 A 56 56 ARG C C 56 177.800 178.344 -0.544 1
1 692 . 2 1 1 A 56 56 ARG CA C 56 58.100 58.672 -0.572 1
1 693 . 2 1 1 A 56 56 ARG CB C 56 30.100 30.417 -0.317 1
1 696 . 2 1 1 A 56 56 ARG N N 56 119.200 119.976 -0.776 1
1 697 . 2 1 1 A 57 57 ASP H H 57 8.300 8.059 0.241 1
1 698 . 2 1 1 A 57 57 ASP HA H 57 4.550 4.404 0.146 1
1 701 . 2 1 1 A 57 57 ASP C C 57 177.400 177.787 -0.387 1
1 702 . 2 1 1 A 57 57 ASP CA C 57 55.800 57.005 -1.205 1
1 703 . 2 1 1 A 57 57 ASP CB C 57 40.800 41.228 -0.428 1
1 704 . 2 1 1 A 57 57 ASP N N 57 120.000 119.437 0.563 1
1 705 . 2 1 1 A 58 58 THR H H 58 7.890 8.042 -0.152 1
1 706 . 2 1 1 A 58 58 THR HA H 58 4.310 4.582 -0.272 1
1 711 . 2 1 1 A 58 58 THR C C 58 175.500 173.621 1.879 1
1 712 . 2 1 1 A 58 58 THR CA C 58 62.200 61.397 0.803 1
1 713 . 2 1 1 A 58 58 THR CB C 58 69.800 68.397 1.403 1
1 715 . 2 1 1 A 58 58 THR N N 58 111.300 110.913 0.387 1
1 716 . 2 1 1 A 59 59 GLY H H 59 8.070 7.905 0.165 1
1 717 . 2 1 1 A 59 59 GLY HA2 H 59 4.010 3.979 0.031 1
1 718 . 2 1 1 A 59 59 GLY HA3 H 59 4.010 3.986 0.024 1
1 719 . 2 1 1 A 59 59 GLY C C 59 174.700 172.881 1.819 1
1 720 . 2 1 1 A 59 59 GLY CA C 59 45.600 45.382 0.218 1
1 721 . 2 1 1 A 59 59 GLY N N 59 110.600 110.078 0.522 1
1 722 . 2 1 1 A 60 60 GLY H H 60 8.260 9.097 -0.837 1
1 723 . 2 1 1 A 60 60 GLY HA2 H 60 3.990 4.161 -0.171 1
1 724 . 2 1 1 A 60 60 GLY HA3 H 60 3.990 4.161 -0.171 1
1 725 . 2 1 1 A 60 60 GLY C C 60 173.900 171.944 1.956 1
1 726 . 2 1 1 A 60 60 GLY CA C 60 45.100 46.346 -1.246 1
1 727 . 2 1 1 A 60 60 GLY N N 60 108.700 112.368 -3.668 1
1 728 . 2 1 1 A 61 61 ASP H H 61 8.320 8.912 -0.592 1
1 729 . 2 1 1 A 61 61 ASP HA H 61 4.650 5.182 -0.532 1
1 732 . 2 1 1 A 61 61 ASP C C 61 176.200 175.033 1.167 1
1 733 . 2 1 1 A 61 61 ASP CA C 61 54.200 54.026 0.174 1
1 734 . 2 1 1 A 61 61 ASP CB C 61 41.300 42.509 -1.209 1
1 735 . 2 1 1 A 61 61 ASP N N 61 120.500 125.991 -5.491 1
1 736 . 2 1 1 A 62 62 ASP H H 62 8.400 8.707 -0.307 1
1 737 . 2 1 1 A 62 62 ASP HA H 62 4.600 5.183 -0.583 1
1 740 . 2 1 1 A 62 62 ASP C C 62 177.100 174.831 2.269 1
1 741 . 2 1 1 A 62 62 ASP CA C 62 54.200 53.829 0.371 1
1 742 . 2 1 1 A 62 62 ASP CB C 62 41.100 42.812 -1.712 1
1 743 . 2 1 1 A 62 62 ASP N N 62 121.100 123.034 -1.934 1
1 744 . 2 1 1 A 63 63 GLY H H 63 8.500 8.400 0.100 1
1 745 . 2 1 1 A 63 63 GLY HA2 H 63 3.950 4.347 -0.397 1
1 746 . 2 1 1 A 63 63 GLY HA3 H 63 3.950 4.347 -0.397 1
1 747 . 2 1 1 A 63 63 GLY C C 63 175.000 174.482 0.518 1
1 748 . 2 1 1 A 63 63 GLY CA C 63 45.700 45.088 0.612 1
1 749 . 2 1 1 A 63 63 GLY N N 63 109.400 112.913 -3.513 1
1 750 . 2 1 1 A 64 64 GLY H H 64 8.360 8.882 -0.522 1
1 751 . 2 1 1 A 64 64 GLY HA2 H 64 3.950 3.804 0.146 1
1 752 . 2 1 1 A 64 64 GLY HA3 H 64 3.950 3.804 0.146 1
1 753 . 2 1 1 A 64 64 GLY C C 64 174.300 175.316 -1.016 1
1 754 . 2 1 1 A 64 64 GLY CA C 64 45.300 47.136 -1.836 1
1 755 . 2 1 1 A 64 64 GLY N N 64 108.700 109.577 -0.877 1
1 756 . 2 1 1 A 65 65 LEU H H 65 8.020 8.152 -0.132 1
1 757 . 2 1 1 A 65 65 LEU HA H 65 4.460 3.982 0.478 1
1 767 . 2 1 1 A 65 65 LEU C C 65 178.000 175.883 2.117 1
1 768 . 2 1 1 A 65 65 LEU CA C 65 55.200 55.803 -0.603 1
1 769 . 2 1 1 A 65 65 LEU CB C 65 42.700 41.059 1.641 1
1 773 . 2 1 1 A 65 65 LEU N N 65 121.300 120.435 0.865 1
1 774 . 2 1 1 A 66 66 THR H H 66 8.470 7.966 0.504 1
1 775 . 2 1 1 A 66 66 THR HA H 66 4.440 4.362 0.078 1
1 780 . 2 1 1 A 66 66 THR C C 66 175.200 173.722 1.478 1
1 781 . 2 1 1 A 66 66 THR CA C 66 61.600 61.256 0.344 1
1 782 . 2 1 1 A 66 66 THR CB C 66 70.200 66.317 3.883 1
1 784 . 2 1 1 A 66 66 THR N N 66 114.300 113.715 0.585 1
1 785 . 2 1 1 A 67 67 THR H H 67 8.370 8.653 -0.283 1
1 786 . 2 1 1 A 67 67 THR HA H 67 4.110 4.878 -0.768 1
1 791 . 2 1 1 A 67 67 THR C C 67 175.300 173.523 1.777 1
1 792 . 2 1 1 A 67 67 THR CA C 67 63.900 61.690 2.210 1
1 793 . 2 1 1 A 67 67 THR CB C 67 69.100 70.483 -1.383 1
1 795 . 2 1 1 A 67 67 THR N N 67 116.600 121.090 -4.490 1
1 796 . 2 1 1 A 68 68 ALA H H 68 8.340 8.822 -0.482 1
1 797 . 2 1 1 A 68 68 ALA HA H 68 4.220 4.761 -0.541 1
1 801 . 2 1 1 A 68 68 ALA C C 68 179.100 177.504 1.596 1
1 802 . 2 1 1 A 68 68 ALA CA C 68 53.800 50.854 2.946 1
1 803 . 2 1 1 A 68 68 ALA CB C 68 18.700 21.484 -2.784 1
1 804 . 2 1 1 A 68 68 ALA N N 68 124.500 130.209 -5.709 1
1 805 . 2 1 1 A 69 69 GLU H H 69 8.090 8.870 -0.780 1
1 806 . 2 1 1 A 69 69 GLU HA H 69 4.140 4.284 -0.144 1
1 811 . 2 1 1 A 69 69 GLU C C 69 177.800 177.968 -0.168 1
1 812 . 2 1 1 A 69 69 GLU CA C 69 57.700 56.760 0.940 1
1 813 . 2 1 1 A 69 69 GLU CB C 69 30.100 29.959 0.141 1
1 815 . 2 1 1 A 69 69 GLU N N 69 119.000 119.629 -0.629 1
1 816 . 2 1 1 A 70 70 ARG H H 70 8.300 8.636 -0.336 1
1 817 . 2 1 1 A 70 70 ARG HA H 70 4.140 4.104 0.036 1
1 824 . 2 1 1 A 70 70 ARG C C 70 177.400 175.565 1.835 1
1 825 . 2 1 1 A 70 70 ARG CA C 70 57.500 59.202 -1.702 1
1 826 . 2 1 1 A 70 70 ARG CB C 70 30.300 29.923 0.377 1
1 829 . 2 1 1 A 70 70 ARG N N 70 120.400 125.088 -4.688 1
1 830 . 2 1 1 A 71 71 GLN H H 71 8.200 7.475 0.725 1
1 831 . 2 1 1 A 71 71 GLN HA H 71 4.200 4.517 -0.317 1
1 838 . 2 1 1 A 71 71 GLN C C 71 176.600 173.615 2.985 1
1 839 . 2 1 1 A 71 71 GLN CA C 71 56.800 56.878 -0.078 1
1 840 . 2 1 1 A 71 71 GLN CB C 71 28.900 29.869 -0.969 1
1 842 . 2 1 1 A 71 71 GLN N N 71 119.500 117.984 1.516 1
1 844 . 2 1 1 A 72 72 ARG H H 72 7.990 8.074 -0.084 1
1 845 . 2 1 1 A 72 72 ARG HA H 72 4.240 4.731 -0.491 1
1 847 . 2 1 1 A 72 72 ARG C C 72 176.600 174.234 2.366 1
1 848 . 2 1 1 A 72 72 ARG CA C 72 56.900 55.069 1.831 1
1 849 . 2 1 1 A 72 72 ARG CB C 72 30.500 32.673 -2.173 1
1 852 . 2 1 1 A 72 72 ARG N N 72 120.600 114.830 5.770 1
1 853 . 2 1 1 A 73 73 LEU H H 73 7.980 8.929 -0.949 1
1 854 . 2 1 1 A 73 73 LEU HA H 73 4.280 4.633 -0.353 1
1 864 . 2 1 1 A 73 73 LEU C C 73 177.100 176.328 0.772 1
1 865 . 2 1 1 A 73 73 LEU CA C 73 55.300 54.624 0.676 1
1 866 . 2 1 1 A 73 73 LEU CB C 73 42.200 40.895 1.305 1
1 870 . 2 1 1 A 73 73 LEU N N 73 121.400 126.785 -5.385 1
1 871 . 2 1 1 A 74 74 LYS H H 74 8.050 8.690 -0.640 1
1 872 . 2 1 1 A 74 74 LYS HA H 74 4.300 4.545 -0.245 1
1 881 . 2 1 1 A 74 74 LYS C C 74 176.100 176.224 -0.124 1
1 882 . 2 1 1 A 74 74 LYS CA C 74 56.000 57.601 -1.601 1
1 883 . 2 1 1 A 74 74 LYS CB C 74 33.000 35.650 -2.650 1
1 887 . 2 1 1 A 74 74 LYS N N 74 121.000 127.042 -6.042 1
1 888 . 2 1 1 A 75 75 GLU H H 75 8.360 7.673 0.687 1
1 889 . 2 1 1 A 75 75 GLU HA H 75 4.550 4.501 0.049 1
1 894 . 2 1 1 A 75 75 GLU CA C 75 54.400 54.788 -0.388 1
1 895 . 2 1 1 A 75 75 GLU CB C 75 29.600 29.420 0.180 1
1 897 . 2 1 1 A 75 75 GLU N N 75 123.800 119.750 4.050 1
1 898 . 2 1 1 A 76 76 PRO HA H 76 4.410 4.335 0.075 1
1 905 . 2 1 1 A 76 76 PRO C C 76 177.000 177.363 -0.363 1
1 906 . 2 1 1 A 76 76 PRO CA C 76 63.300 66.008 -2.708 1
1 907 . 2 1 1 A 76 76 PRO CB C 76 32.000 31.644 0.356 1
1 910 . 2 1 1 A 77 77 GLU H H 77 8.580 8.068 0.512 1
1 911 . 2 1 1 A 77 77 GLU HA H 77 4.220 4.011 0.209 1
1 916 . 2 1 1 A 77 77 GLU C C 77 176.700 176.519 0.181 1
1 917 . 2 1 1 A 77 77 GLU CA C 77 56.800 57.358 -0.558 1
1 918 . 2 1 1 A 77 77 GLU CB C 77 29.900 28.602 1.298 1
1 920 . 2 1 1 A 77 77 GLU N N 77 120.800 117.815 2.985 1
1 921 . 2 1 1 A 78 78 ARG H H 78 8.330 8.206 0.124 1
1 922 . 2 1 1 A 78 78 ARG HA H 78 4.270 4.399 -0.129 1
1 925 . 2 1 1 A 78 78 ARG C C 78 176.500 175.805 0.695 1
1 926 . 2 1 1 A 78 78 ARG CA C 78 56.700 56.456 0.244 1
1 927 . 2 1 1 A 78 78 ARG CB C 78 30.600 32.583 -1.983 1
1 930 . 2 1 1 A 78 78 ARG N N 78 122.000 118.342 3.658 1
1 931 . 2 1 1 A 79 79 GLU H H 79 8.020 7.687 0.333 1
1 932 . 2 1 1 A 79 79 GLU HA H 79 4.230 4.407 -0.177 1
1 937 . 2 1 1 A 79 79 GLU C C 79 176.100 176.547 -0.447 1
1 938 . 2 1 1 A 79 79 GLU CA C 79 56.500 56.955 -0.455 1
1 939 . 2 1 1 A 79 79 GLU CB C 79 30.200 29.654 0.546 1
1 941 . 2 1 1 A 79 79 GLU N N 79 121.900 118.405 3.495 1
1 942 . 2 1 1 A 80 80 ASN H H 80 8.510 9.098 -0.588 1
1 943 . 2 1 1 A 80 80 ASN HA H 80 4.690 4.472 0.218 1
1 948 . 2 1 1 A 80 80 ASN C C 80 175.400 175.843 -0.443 1
1 949 . 2 1 1 A 80 80 ASN CA C 80 53.300 53.903 -0.603 1
1 950 . 2 1 1 A 80 80 ASN CB C 80 38.500 37.038 1.462 1
1 951 . 2 1 1 A 80 80 ASN N N 80 120.000 118.764 1.236 1
1 953 . 2 1 1 A 81 81 ARG H H 81 8.400 8.011 0.389 1
1 954 . 2 1 1 A 81 81 ARG HA H 81 4.250 3.962 0.288 1
1 961 . 2 1 1 A 81 81 ARG C C 81 175.600 176.246 -0.646 1
1 962 . 2 1 1 A 81 81 ARG CA C 81 56.500 58.857 -2.357 1
1 963 . 2 1 1 A 81 81 ARG CB C 81 30.800 30.196 0.604 1
1 966 . 2 1 1 A 81 81 ARG N N 81 121.900 120.831 1.069 1
1 967 . 2 1 1 A 82 82 GLU H H 82 8.410 7.896 0.514 1
1 968 . 2 1 1 A 82 82 GLU HA H 82 4.240 4.447 -0.207 1
1 973 . 2 1 1 A 82 82 GLU C C 82 176.400 176.466 -0.066 1
1 974 . 2 1 1 A 82 82 GLU CA C 82 56.700 55.820 0.880 1
1 975 . 2 1 1 A 82 82 GLU CB C 82 29.900 30.992 -1.092 1
1 977 . 2 1 1 A 82 82 GLU N N 82 120.900 118.701 2.199 1
1 978 . 2 1 1 A 83 83 LEU H H 83 8.120 8.809 -0.689 1
1 979 . 2 1 1 A 83 83 LEU HA H 83 4.310 3.956 0.354 1
1 988 . 2 1 1 A 83 83 LEU C C 83 177.100 175.469 1.631 1
1 989 . 2 1 1 A 83 83 LEU CA C 83 55.200 56.153 -0.953 1
1 990 . 2 1 1 A 83 83 LEU CB C 83 42.100 39.841 2.259 1
1 994 . 2 1 1 A 83 83 LEU N N 83 122.800 118.915 3.885 1
1 995 . 2 1 1 A 84 84 ARG H H 84 8.260 7.781 0.479 1
1 996 . 2 1 1 A 84 84 ARG HA H 84 4.340 4.267 0.073 1
1 999 . 2 1 1 A 84 84 ARG C C 84 176.000 175.265 0.735 1
1 1000 . 2 1 1 A 84 84 ARG CA C 84 55.900 56.314 -0.414 1
1 1001 . 2 1 1 A 84 84 ARG CB C 84 30.600 31.052 -0.452 1
1 1004 . 2 1 1 A 84 84 ARG N N 84 121.800 120.383 1.417 1
1 1005 . 2 1 1 A 85 85 ARG H H 85 8.390 8.696 -0.306 1
1 1006 . 2 1 1 A 85 85 ARG HA H 85 4.390 4.775 -0.385 1
1 1009 . 2 1 1 A 85 85 ARG C C 85 176.100 175.430 0.670 1
1 1010 . 2 1 1 A 85 85 ARG CA C 85 56.000 55.364 0.636 1
1 1011 . 2 1 1 A 85 85 ARG CB C 85 31.000 31.593 -0.593 1
1 1014 . 2 1 1 A 85 85 ARG N N 85 122.800 128.035 -5.235 1
1 1015 . 2 1 1 A 86 86 SER H H 86 8.430 8.717 -0.287 1
1 1016 . 2 1 1 A 86 86 SER HA H 86 4.470 4.756 -0.286 1
1 1019 . 2 1 1 A 86 86 SER C C 86 173.300 174.470 -1.170 1
1 1020 . 2 1 1 A 86 86 SER CA C 86 58.200 59.548 -1.348 1
1 1021 . 2 1 1 A 86 86 SER CB C 86 64.000 63.188 0.812 1
1 1022 . 2 1 1 A 86 86 SER N N 86 117.500 123.660 -6.160 1
1 1023 . 2 1 1 A 87 87 ASN H H 87 8.120 8.855 -0.735 1
1 1024 . 2 1 1 A 87 87 ASN HA H 87 4.470 5.322 -0.852 1
1 1029 . 2 1 1 A 87 87 ASN CA C 87 54.800 51.415 3.385 1
1 1030 . 2 1 1 A 87 87 ASN CB C 87 40.100 42.077 -1.977 1
1 1031 . 2 1 1 A 87 87 ASN N N 87 125.900 124.501 1.399 1
1 1033 . 2 1 1 A 88 88 ASP HA H 88 4.640 4.760 -0.120 1
1 1036 . 2 1 1 A 88 88 ASP C C 88 175.700 175.934 -0.234 1
1 1037 . 2 1 1 A 88 88 ASP CA C 88 54.500 53.059 1.441 1
1 1038 . 2 1 1 A 88 88 ASP CB C 88 41.100 39.637 1.463 1
1 1039 . 2 1 1 A 89 89 ILE H H 89 8.000 7.886 0.114 1
1 1040 . 2 1 1 A 89 89 ILE HA H 89 4.160 4.245 -0.085 1
1 1050 . 2 1 1 A 89 89 ILE C C 89 175.200 175.012 0.188 1
1 1051 . 2 1 1 A 89 89 ILE CA C 89 61.100 63.112 -2.012 1
1 1052 . 2 1 1 A 89 89 ILE CB C 89 38.500 37.038 1.462 1
1 1056 . 2 1 1 A 89 89 ILE N N 89 120.400 114.713 5.687 1
1 1057 . 2 1 1 A 90 90 LEU H H 90 7.880 8.640 -0.760 1
1 1058 . 2 1 1 A 90 90 LEU HA H 90 4.190 4.165 0.025 1
1 1067 . 2 1 1 A 90 90 LEU CA C 90 56.700 55.531 1.169 1
1 1068 . 2 1 1 A 90 90 LEU CB C 90 43.300 41.526 1.774 1
1 1072 . 2 1 1 A 90 90 LEU N N 90 131.900 126.995 4.905 1
1 1073 . 2 1 1 A 93 93 ALA HA H 93 4.370 4.495 -0.125 1
1 1077 . 2 1 1 A 93 93 ALA C C 93 176.600 176.339 0.261 1
1 1078 . 2 1 1 A 93 93 ALA CA C 93 52.300 51.446 0.854 1
1 1079 . 2 1 1 A 93 93 ALA CB C 93 19.200 22.508 -3.308 1
1 1080 . 2 1 1 A 94 94 SER H H 94 7.910 8.715 -0.805 1
1 1081 . 2 1 1 A 94 94 SER HA H 94 4.250 4.408 -0.158 1
1 1084 . 2 1 1 A 94 94 SER CA C 94 59.900 59.590 0.310 1
1 1085 . 2 1 1 A 94 94 SER CB C 94 64.700 63.805 0.895 1
1 1 . 3 1 1 A 2 2 THR HA H 2 4.360 4.916 -0.556 1
1 6 . 3 1 1 A 2 2 THR C C 2 174.300 172.935 1.365 1
1 7 . 3 1 1 A 2 2 THR CA C 2 61.900 60.906 0.994 1
1 8 . 3 1 1 A 2 2 THR CB C 2 69.900 71.047 -1.147 1
1 10 . 3 1 1 A 3 3 LYS H H 3 8.520 8.730 -0.210 1
1 11 . 3 1 1 A 3 3 LYS HA H 3 4.320 4.964 -0.644 1
1 20 . 3 1 1 A 3 3 LYS C C 3 176.100 174.801 1.299 1
1 21 . 3 1 1 A 3 3 LYS CA C 3 56.400 54.333 2.067 1
1 22 . 3 1 1 A 3 3 LYS CB C 3 33.000 36.357 -3.357 1
1 26 . 3 1 1 A 3 3 LYS N N 3 124.100 128.185 -4.085 1
1 27 . 3 1 1 A 4 4 ASN H H 4 8.560 8.657 -0.097 1
1 28 . 3 1 1 A 4 4 ASN HA H 4 4.760 4.675 0.085 1
1 33 . 3 1 1 A 4 4 ASN C C 4 175.200 174.888 0.312 1
1 34 . 3 1 1 A 4 4 ASN CA C 4 53.300 53.039 0.261 1
1 35 . 3 1 1 A 4 4 ASN CB C 4 38.900 38.780 0.120 1
1 36 . 3 1 1 A 4 4 ASN N N 4 120.200 120.560 -0.360 1
1 38 . 3 1 1 A 5 5 THR H H 5 8.130 8.432 -0.302 1
1 39 . 3 1 1 A 5 5 THR HA H 5 4.310 4.633 -0.323 1
1 44 . 3 1 1 A 5 5 THR C C 5 173.900 175.416 -1.516 1
1 45 . 3 1 1 A 5 5 THR CA C 5 61.800 60.678 1.122 1
1 46 . 3 1 1 A 5 5 THR CB C 5 69.500 70.841 -1.341 1
1 48 . 3 1 1 A 5 5 THR N N 5 114.900 116.306 -1.406 1
1 49 . 3 1 1 A 6 6 ARG H H 6 8.160 8.823 -0.663 1
1 50 . 3 1 1 A 6 6 ARG HA H 6 4.300 4.334 -0.034 1
1 57 . 3 1 1 A 6 6 ARG C C 6 176.300 175.950 0.350 1
1 58 . 3 1 1 A 6 6 ARG CA C 6 56.300 56.650 -0.350 1
1 59 . 3 1 1 A 6 6 ARG CB C 6 30.700 30.116 0.584 1
1 62 . 3 1 1 A 6 6 ARG N N 6 123.600 124.698 -1.098 1
1 63 . 3 1 1 A 7 7 PHE H H 7 8.460 8.005 0.455 1
1 64 . 3 1 1 A 7 7 PHE HA H 7 4.760 4.691 0.069 1
1 72 . 3 1 1 A 7 7 PHE C C 7 175.000 174.999 0.001 1
1 73 . 3 1 1 A 7 7 PHE CA C 7 56.700 56.514 0.186 1
1 74 . 3 1 1 A 7 7 PHE CB C 7 40.300 36.972 3.328 1
1 80 . 3 1 1 A 7 7 PHE N N 7 121.500 119.127 2.373 1
1 81 . 3 1 1 A 8 8 SER H H 8 8.520 8.347 0.173 1
1 82 . 3 1 1 A 8 8 SER HA H 8 4.600 4.480 0.120 1
1 85 . 3 1 1 A 8 8 SER CA C 8 56.700 57.630 -0.930 1
1 86 . 3 1 1 A 8 8 SER CB C 8 62.600 62.927 -0.327 1
1 87 . 3 1 1 A 8 8 SER N N 8 121.500 119.524 1.976 1
1 88 . 3 1 1 A 9 9 PRO HA H 9 3.920 4.247 -0.327 1
1 95 . 3 1 1 A 9 9 PRO C C 9 178.500 178.942 -0.442 1
1 96 . 3 1 1 A 9 9 PRO CA C 9 65.800 65.645 0.155 1
1 97 . 3 1 1 A 9 9 PRO CB C 9 31.500 31.733 -0.233 1
1 100 . 3 1 1 A 10 10 GLU H H 10 8.610 8.299 0.311 1
1 101 . 3 1 1 A 10 10 GLU HA H 10 3.990 4.051 -0.061 1
1 106 . 3 1 1 A 10 10 GLU C C 10 179.100 179.619 -0.519 1
1 107 . 3 1 1 A 10 10 GLU CA C 10 60.000 59.516 0.484 1
1 108 . 3 1 1 A 10 10 GLU CB C 10 28.800 29.364 -0.564 1
1 110 . 3 1 1 A 10 10 GLU N N 10 116.600 117.752 -1.152 1
1 111 . 3 1 1 A 11 11 VAL H H 11 7.510 8.081 -0.571 1
1 112 . 3 1 1 A 11 11 VAL HA H 11 3.610 3.506 0.104 1
1 120 . 3 1 1 A 11 11 VAL C C 11 177.700 177.914 -0.214 1
1 121 . 3 1 1 A 11 11 VAL CA C 11 66.400 66.723 -0.323 1
1 122 . 3 1 1 A 11 11 VAL CB C 11 31.600 31.545 0.055 1
1 125 . 3 1 1 A 11 11 VAL N N 11 122.700 121.598 1.102 1
1 126 . 3 1 1 A 12 12 ARG H H 12 7.800 8.357 -0.557 1
1 127 . 3 1 1 A 12 12 ARG HA H 12 3.440 3.601 -0.161 1
1 135 . 3 1 1 A 12 12 ARG C C 12 178.000 178.171 -0.171 1
1 136 . 3 1 1 A 12 12 ARG CA C 12 59.300 59.748 -0.448 1
1 137 . 3 1 1 A 12 12 ARG CB C 12 29.600 29.385 0.215 1
1 140 . 3 1 1 A 12 12 ARG N N 12 118.700 119.767 -1.067 1
1 142 . 3 1 1 A 13 13 GLN H H 13 8.050 8.052 -0.002 1
1 143 . 3 1 1 A 13 13 GLN HA H 13 3.860 3.961 -0.101 1
1 150 . 3 1 1 A 13 13 GLN C C 13 178.800 178.300 0.500 1
1 151 . 3 1 1 A 13 13 GLN CA C 13 58.600 58.996 -0.396 1
1 152 . 3 1 1 A 13 13 GLN CB C 13 28.300 28.454 -0.154 1
1 154 . 3 1 1 A 13 13 GLN N N 13 116.100 118.294 -2.194 1
1 156 . 3 1 1 A 14 14 ARG H H 14 7.750 8.290 -0.540 1
1 157 . 3 1 1 A 14 14 ARG HA H 14 3.970 3.995 -0.025 1
1 164 . 3 1 1 A 14 14 ARG C C 14 177.900 178.037 -0.137 1
1 165 . 3 1 1 A 14 14 ARG CA C 14 59.100 59.354 -0.254 1
1 166 . 3 1 1 A 14 14 ARG CB C 14 30.000 30.237 -0.237 1
1 169 . 3 1 1 A 14 14 ARG N N 14 120.400 119.698 0.702 1
1 170 . 3 1 1 A 15 15 ALA H H 15 8.500 8.167 0.333 1
1 171 . 3 1 1 A 15 15 ALA HA H 15 4.040 4.180 -0.140 1
1 175 . 3 1 1 A 15 15 ALA C C 15 178.800 180.585 -1.785 1
1 176 . 3 1 1 A 15 15 ALA CA C 15 55.300 55.302 -0.002 1
1 177 . 3 1 1 A 15 15 ALA CB C 15 19.700 18.630 1.070 1
1 178 . 3 1 1 A 15 15 ALA N N 15 122.200 122.645 -0.445 1
1 179 . 3 1 1 A 16 16 VAL H H 16 8.230 8.000 0.230 1
1 180 . 3 1 1 A 16 16 VAL HA H 16 3.360 3.487 -0.127 1
1 188 . 3 1 1 A 16 16 VAL C C 16 177.700 178.242 -0.542 1
1 189 . 3 1 1 A 16 16 VAL CA C 16 67.100 66.882 0.218 1
1 190 . 3 1 1 A 16 16 VAL CB C 16 31.600 31.527 0.073 1
1 193 . 3 1 1 A 16 16 VAL N N 16 116.500 118.691 -2.191 1
1 194 . 3 1 1 A 17 17 ARG H H 17 7.900 7.846 0.054 1
1 195 . 3 1 1 A 17 17 ARG HA H 17 3.830 3.908 -0.078 1
1 202 . 3 1 1 A 17 17 ARG C C 17 178.000 178.246 -0.246 1
1 203 . 3 1 1 A 17 17 ARG CA C 17 59.700 59.293 0.407 1
1 204 . 3 1 1 A 17 17 ARG CB C 17 29.200 29.776 -0.576 1
1 207 . 3 1 1 A 17 17 ARG N N 17 119.000 120.143 -1.143 1
1 208 . 3 1 1 A 18 18 MET H H 18 8.210 8.470 -0.260 1
1 209 . 3 1 1 A 18 18 MET HA H 18 4.090 4.136 -0.046 1
1 217 . 3 1 1 A 18 18 MET C C 18 179.400 178.130 1.270 1
1 218 . 3 1 1 A 18 18 MET CA C 18 59.500 58.716 0.784 1
1 219 . 3 1 1 A 18 18 MET CB C 18 33.600 32.388 1.212 1
1 222 . 3 1 1 A 18 18 MET N N 18 117.300 119.030 -1.730 1
1 223 . 3 1 1 A 19 19 VAL H H 19 7.790 8.265 -0.475 1
1 224 . 3 1 1 A 19 19 VAL HA H 19 3.390 3.648 -0.258 1
1 232 . 3 1 1 A 19 19 VAL C C 19 177.200 178.140 -0.940 1
1 233 . 3 1 1 A 19 19 VAL CA C 19 66.100 66.734 -0.634 1
1 234 . 3 1 1 A 19 19 VAL CB C 19 31.600 31.661 -0.061 1
1 237 . 3 1 1 A 19 19 VAL N N 19 119.900 119.615 0.285 1
1 238 . 3 1 1 A 20 20 LEU H H 20 8.280 7.975 0.305 1
1 239 . 3 1 1 A 20 20 LEU HA H 20 4.070 3.914 0.156 1
1 249 . 3 1 1 A 20 20 LEU C C 20 180.600 179.642 0.958 1
1 250 . 3 1 1 A 20 20 LEU CA C 20 57.900 58.184 -0.284 1
1 251 . 3 1 1 A 20 20 LEU CB C 20 40.800 41.111 -0.311 1
1 255 . 3 1 1 A 20 20 LEU N N 20 118.400 118.680 -0.280 1
1 256 . 3 1 1 A 21 21 GLU H H 21 8.690 9.081 -0.391 1
1 257 . 3 1 1 A 21 21 GLU HA H 21 4.230 4.013 0.217 1
1 262 . 3 1 1 A 21 21 GLU C C 21 178.200 178.398 -0.198 1
1 263 . 3 1 1 A 21 21 GLU CA C 21 57.900 59.860 -1.960 1
1 264 . 3 1 1 A 21 21 GLU CB C 21 29.700 29.227 0.473 1
1 266 . 3 1 1 A 21 21 GLU N N 21 115.900 120.352 -4.452 1
1 267 . 3 1 1 A 22 22 SER H H 22 7.580 7.998 -0.418 1
1 268 . 3 1 1 A 22 22 SER HA H 22 4.790 4.380 0.410 1
1 271 . 3 1 1 A 22 22 SER C C 22 175.200 176.852 -1.652 1
1 272 . 3 1 1 A 22 22 SER CA C 22 59.500 61.002 -1.502 1
1 273 . 3 1 1 A 22 22 SER CB C 22 64.500 63.651 0.849 1
1 274 . 3 1 1 A 22 22 SER N N 22 113.000 116.987 -3.987 1
1 275 . 3 1 1 A 23 23 GLN H H 23 7.780 8.328 -0.548 1
1 276 . 3 1 1 A 23 23 GLN HA H 23 4.800 4.161 0.639 1
1 283 . 3 1 1 A 23 23 GLN C C 23 177.100 178.627 -1.527 1
1 284 . 3 1 1 A 23 23 GLN CA C 23 57.800 59.529 -1.729 1
1 285 . 3 1 1 A 23 23 GLN CB C 23 28.100 28.184 -0.084 1
1 287 . 3 1 1 A 23 23 GLN N N 23 119.900 121.720 -1.820 1
1 289 . 3 1 1 A 24 24 GLY H H 24 8.680 8.096 0.584 1
1 290 . 3 1 1 A 24 24 GLY HA2 H 24 3.860 3.791 0.069 1
1 291 . 3 1 1 A 24 24 GLY HA3 H 24 4.110 3.801 0.309 1
1 292 . 3 1 1 A 24 24 GLY C C 24 175.100 176.586 -1.486 1
1 293 . 3 1 1 A 24 24 GLY CA C 24 45.900 47.258 -1.358 1
1 294 . 3 1 1 A 24 24 GLY N N 24 108.500 107.230 1.270 1
1 295 . 3 1 1 A 25 25 GLU H H 25 8.110 7.750 0.360 1
1 296 . 3 1 1 A 25 25 GLU HA H 25 4.210 4.182 0.028 1
1 301 . 3 1 1 A 25 25 GLU C C 25 175.400 177.136 -1.736 1
1 302 . 3 1 1 A 25 25 GLU CA C 25 56.100 58.922 -2.822 1
1 303 . 3 1 1 A 25 25 GLU CB C 25 29.700 29.777 -0.077 1
1 305 . 3 1 1 A 25 25 GLU N N 25 118.200 120.088 -1.888 1
1 306 . 3 1 1 A 26 26 TYR H H 26 7.690 7.922 -0.232 1
1 307 . 3 1 1 A 26 26 TYR HA H 26 4.690 4.499 0.191 1
1 314 . 3 1 1 A 26 26 TYR C C 26 175.800 176.528 -0.728 1
1 315 . 3 1 1 A 26 26 TYR CA C 26 57.000 58.538 -1.538 1
1 316 . 3 1 1 A 26 26 TYR CB C 26 42.200 39.443 2.757 1
1 321 . 3 1 1 A 26 26 TYR N N 26 117.700 119.191 -1.491 1
1 322 . 3 1 1 A 27 27 ASP H H 27 8.850 9.118 -0.268 1
1 323 . 3 1 1 A 27 27 ASP HA H 27 4.520 4.575 -0.055 1
1 326 . 3 1 1 A 27 27 ASP C C 27 175.900 176.126 -0.226 1
1 327 . 3 1 1 A 27 27 ASP CA C 27 55.400 56.446 -1.046 1
1 328 . 3 1 1 A 27 27 ASP CB C 27 41.200 41.709 -0.509 1
1 329 . 3 1 1 A 27 27 ASP N N 27 117.500 122.275 -4.775 1
1 330 . 3 1 1 A 28 28 SER H H 28 7.550 7.933 -0.383 1
1 331 . 3 1 1 A 28 28 SER HA H 28 4.740 4.760 -0.020 1
1 334 . 3 1 1 A 28 28 SER CA C 28 57.200 56.404 0.796 1
1 335 . 3 1 1 A 28 28 SER CB C 28 65.800 66.578 -0.778 1
1 336 . 3 1 1 A 28 28 SER N N 28 109.000 109.328 -0.328 1
1 337 . 3 1 1 A 29 29 GLN HA H 29 3.950 3.995 -0.045 1
1 344 . 3 1 1 A 29 29 GLN C C 29 178.100 177.199 0.901 1
1 345 . 3 1 1 A 29 29 GLN CA C 29 60.200 59.100 1.100 1
1 346 . 3 1 1 A 29 29 GLN CB C 29 29.900 29.011 0.889 1
1 349 . 3 1 1 A 30 30 TRP H H 30 9.010 8.251 0.759 1
1 350 . 3 1 1 A 30 30 TRP HA H 30 4.720 4.302 0.418 1
1 359 . 3 1 1 A 30 30 TRP C C 30 177.100 178.668 -1.568 1
1 360 . 3 1 1 A 30 30 TRP CA C 30 59.300 60.873 -1.573 1
1 361 . 3 1 1 A 30 30 TRP CB C 30 30.000 29.227 0.773 1
1 367 . 3 1 1 A 30 30 TRP N N 30 121.400 122.435 -1.035 1
1 369 . 3 1 1 A 31 31 ALA H H 31 8.360 8.124 0.236 1
1 370 . 3 1 1 A 31 31 ALA HA H 31 3.790 3.854 -0.064 1
1 374 . 3 1 1 A 31 31 ALA C C 31 180.300 179.625 0.675 1
1 375 . 3 1 1 A 31 31 ALA CA C 31 55.300 54.713 0.587 1
1 376 . 3 1 1 A 31 31 ALA CB C 31 18.200 17.911 0.289 1
1 377 . 3 1 1 A 31 31 ALA N N 31 121.600 121.368 0.232 1
1 378 . 3 1 1 A 32 32 THR H H 32 7.420 7.482 -0.062 1
1 379 . 3 1 1 A 32 32 THR HA H 32 2.620 3.026 -0.406 1
1 384 . 3 1 1 A 32 32 THR C C 32 176.700 176.469 0.231 1
1 385 . 3 1 1 A 32 32 THR CA C 32 66.200 66.091 0.109 1
1 386 . 3 1 1 A 32 32 THR CB C 32 67.800 68.422 -0.622 1
1 388 . 3 1 1 A 32 32 THR N N 32 115.700 114.036 1.664 1
1 389 . 3 1 1 A 33 33 ILE H H 33 8.490 7.661 0.829 1
1 390 . 3 1 1 A 33 33 ILE HA H 33 3.180 3.413 -0.233 1
1 400 . 3 1 1 A 33 33 ILE C C 33 177.300 177.508 -0.208 1
1 401 . 3 1 1 A 33 33 ILE CA C 33 65.900 65.001 0.899 1
1 402 . 3 1 1 A 33 33 ILE CB C 33 37.700 37.701 -0.001 1
1 406 . 3 1 1 A 33 33 ILE N N 33 124.100 120.539 3.561 1
1 407 . 3 1 1 A 34 34 CYS H H 34 8.060 7.647 0.413 1
1 408 . 3 1 1 A 34 34 CYS HA H 34 3.610 3.843 -0.233 1
1 411 . 3 1 1 A 34 34 CYS C C 34 175.800 176.178 -0.378 1
1 412 . 3 1 1 A 34 34 CYS CA C 34 63.800 60.533 3.267 1
1 413 . 3 1 1 A 34 34 CYS CB C 34 26.400 26.527 -0.127 1
1 414 . 3 1 1 A 34 34 CYS N N 34 115.900 118.168 -2.268 1
1 415 . 3 1 1 A 35 35 SER H H 35 7.150 7.660 -0.510 1
1 416 . 3 1 1 A 35 35 SER HA H 35 4.260 4.361 -0.101 1
1 419 . 3 1 1 A 35 35 SER C C 35 175.500 176.816 -1.316 1
1 420 . 3 1 1 A 35 35 SER CA C 35 60.200 60.083 0.117 1
1 421 . 3 1 1 A 35 35 SER CB C 35 63.600 63.692 -0.092 1
1 422 . 3 1 1 A 35 35 SER N N 35 113.600 114.411 -0.811 1
1 423 . 3 1 1 A 36 36 ILE H H 36 7.650 7.398 0.252 1
1 424 . 3 1 1 A 36 36 ILE HA H 36 3.850 3.801 0.049 1
1 434 . 3 1 1 A 36 36 ILE C C 36 176.900 177.829 -0.929 1
1 435 . 3 1 1 A 36 36 ILE CA C 36 61.700 64.159 -2.459 1
1 436 . 3 1 1 A 36 36 ILE CB C 36 37.700 36.693 1.007 1
1 440 . 3 1 1 A 36 36 ILE N N 36 120.700 122.767 -2.067 1
1 441 . 3 1 1 A 37 37 ALA H H 37 8.200 8.264 -0.064 1
1 442 . 3 1 1 A 37 37 ALA HA H 37 3.860 3.928 -0.068 1
1 446 . 3 1 1 A 37 37 ALA CA C 37 57.400 57.166 0.234 1
1 447 . 3 1 1 A 37 37 ALA CB C 37 14.900 16.779 -1.879 1
1 448 . 3 1 1 A 37 37 ALA N N 37 122.200 123.770 -1.570 1
1 449 . 3 1 1 A 38 38 PRO HA H 38 4.470 4.330 0.140 1
1 456 . 3 1 1 A 38 38 PRO C C 38 178.800 178.658 0.142 1
1 457 . 3 1 1 A 38 38 PRO CA C 38 65.600 64.958 0.642 1
1 458 . 3 1 1 A 38 38 PRO CB C 38 31.000 31.213 -0.213 1
1 461 . 3 1 1 A 39 39 LYS H H 39 7.680 7.782 -0.102 1
1 462 . 3 1 1 A 39 39 LYS HA H 39 4.150 4.124 0.026 1
1 471 . 3 1 1 A 39 39 LYS C C 39 177.800 179.087 -1.287 1
1 472 . 3 1 1 A 39 39 LYS CA C 39 58.000 59.155 -1.155 1
1 473 . 3 1 1 A 39 39 LYS CB C 39 31.800 31.784 0.016 1
1 477 . 3 1 1 A 39 39 LYS N N 39 115.500 117.926 -2.426 1
1 478 . 3 1 1 A 40 40 ILE H H 40 7.540 7.511 0.029 1
1 479 . 3 1 1 A 40 40 ILE HA H 40 4.130 4.068 0.062 1
1 489 . 3 1 1 A 40 40 ILE C C 40 176.500 176.083 0.417 1
1 490 . 3 1 1 A 40 40 ILE CA C 40 59.600 62.863 -3.263 1
1 491 . 3 1 1 A 40 40 ILE CB C 40 37.300 38.706 -1.406 1
1 495 . 3 1 1 A 40 40 ILE N N 40 117.500 117.125 0.375 1
1 496 . 3 1 1 A 41 41 GLY H H 41 8.430 7.809 0.621 1
1 497 . 3 1 1 A 41 41 GLY HA2 H 41 4.550 4.078 0.472 1
1 498 . 3 1 1 A 41 41 GLY HA3 H 41 3.790 4.103 -0.313 1
1 499 . 3 1 1 A 41 41 GLY C C 41 173.900 174.136 -0.236 1
1 500 . 3 1 1 A 41 41 GLY CA C 41 44.900 45.096 -0.196 1
1 501 . 3 1 1 A 41 41 GLY N N 41 105.100 108.353 -3.253 1
1 502 . 3 1 1 A 42 42 CYS H H 42 7.360 7.871 -0.511 1
1 503 . 3 1 1 A 42 42 CYS HA H 42 5.220 4.964 0.256 1
1 506 . 3 1 1 A 42 42 CYS C C 42 173.100 174.284 -1.184 1
1 507 . 3 1 1 A 42 42 CYS CA C 42 53.300 57.264 -3.964 1
1 508 . 3 1 1 A 42 42 CYS CB C 42 31.700 30.288 1.412 1
1 509 . 3 1 1 A 42 42 CYS N N 42 115.400 119.565 -4.165 1
1 510 . 3 1 1 A 43 43 THR H H 43 8.550 8.706 -0.156 1
1 511 . 3 1 1 A 43 43 THR HA H 43 4.560 4.945 -0.385 1
1 516 . 3 1 1 A 43 43 THR CA C 43 59.800 59.643 0.157 1
1 517 . 3 1 1 A 43 43 THR CB C 43 68.500 69.123 -0.623 1
1 519 . 3 1 1 A 43 43 THR N N 43 111.500 112.457 -0.957 1
1 520 . 3 1 1 A 44 44 PRO HA H 44 3.680 4.071 -0.391 1
1 527 . 3 1 1 A 44 44 PRO C C 44 177.300 177.734 -0.434 1
1 528 . 3 1 1 A 44 44 PRO CA C 44 65.200 65.433 -0.233 1
1 529 . 3 1 1 A 44 44 PRO CB C 44 32.400 31.773 0.627 1
1 532 . 3 1 1 A 45 45 GLU H H 45 8.900 8.278 0.622 1
1 533 . 3 1 1 A 45 45 GLU HA H 45 3.990 4.064 -0.074 1
1 538 . 3 1 1 A 45 45 GLU C C 45 179.000 179.123 -0.123 1
1 539 . 3 1 1 A 45 45 GLU CA C 45 61.300 59.493 1.807 1
1 540 . 3 1 1 A 45 45 GLU CB C 45 28.200 29.312 -1.112 1
1 542 . 3 1 1 A 45 45 GLU N N 45 117.100 118.111 -1.011 1
1 543 . 3 1 1 A 46 46 THR H H 46 7.680 7.509 0.171 1
1 544 . 3 1 1 A 46 46 THR HA H 46 3.560 3.650 -0.090 1
1 549 . 3 1 1 A 46 46 THR C C 46 173.800 175.844 -2.044 1
1 550 . 3 1 1 A 46 46 THR CA C 46 66.300 66.835 -0.535 1
1 551 . 3 1 1 A 46 46 THR CB C 46 68.000 67.529 0.471 1
1 553 . 3 1 1 A 46 46 THR N N 46 118.800 116.393 2.407 1
1 554 . 3 1 1 A 47 47 LEU H H 47 7.040 7.431 -0.391 1
1 555 . 3 1 1 A 47 47 LEU HA H 47 3.170 3.554 -0.384 1
1 565 . 3 1 1 A 47 47 LEU C C 47 177.500 178.705 -1.205 1
1 566 . 3 1 1 A 47 47 LEU CA C 47 56.800 57.588 -0.788 1
1 567 . 3 1 1 A 47 47 LEU CB C 47 40.500 41.550 -1.050 1
1 571 . 3 1 1 A 47 47 LEU N N 47 120.600 120.867 -0.267 1
1 572 . 3 1 1 A 48 48 ARG H H 48 8.430 8.493 -0.063 1
1 573 . 3 1 1 A 48 48 ARG HA H 48 3.880 3.991 -0.111 1
1 580 . 3 1 1 A 48 48 ARG C C 48 177.400 178.827 -1.427 1
1 581 . 3 1 1 A 48 48 ARG CA C 48 60.200 59.804 0.396 1
1 582 . 3 1 1 A 48 48 ARG CB C 48 30.500 29.773 0.727 1
1 585 . 3 1 1 A 48 48 ARG N N 48 118.200 119.719 -1.519 1
1 586 . 3 1 1 A 49 49 VAL H H 49 7.400 7.425 -0.025 1
1 587 . 3 1 1 A 49 49 VAL HA H 49 3.630 3.617 0.013 1
1 595 . 3 1 1 A 49 49 VAL C C 49 178.900 178.203 0.697 1
1 596 . 3 1 1 A 49 49 VAL CA C 49 67.200 66.535 0.665 1
1 597 . 3 1 1 A 49 49 VAL CB C 49 30.700 31.681 -0.981 1
1 600 . 3 1 1 A 49 49 VAL N N 49 120.300 120.340 -0.040 1
1 601 . 3 1 1 A 50 50 TRP H H 50 7.850 7.983 -0.133 1
1 602 . 3 1 1 A 50 50 TRP HA H 50 4.740 4.422 0.318 1
1 611 . 3 1 1 A 50 50 TRP C C 50 180.400 179.021 1.379 1
1 612 . 3 1 1 A 50 50 TRP CA C 50 57.800 60.024 -2.224 1
1 613 . 3 1 1 A 50 50 TRP CB C 50 28.700 29.652 -0.952 1
1 619 . 3 1 1 A 50 50 TRP N N 50 120.300 120.016 0.284 1
1 621 . 3 1 1 A 51 51 VAL H H 51 8.820 8.380 0.440 1
1 622 . 3 1 1 A 51 51 VAL HA H 51 3.690 3.693 -0.003 1
1 630 . 3 1 1 A 51 51 VAL C C 51 177.700 178.279 -0.579 1
1 631 . 3 1 1 A 51 51 VAL CA C 51 66.800 66.775 0.025 1
1 632 . 3 1 1 A 51 51 VAL CB C 51 32.000 31.444 0.556 1
1 635 . 3 1 1 A 51 51 VAL N N 51 121.300 119.893 1.407 1
1 636 . 3 1 1 A 52 52 ARG H H 52 8.740 7.865 0.875 1
1 637 . 3 1 1 A 52 52 ARG HA H 52 4.260 4.000 0.260 1
1 644 . 3 1 1 A 52 52 ARG C C 52 179.500 178.238 1.262 1
1 645 . 3 1 1 A 52 52 ARG CA C 52 58.900 59.539 -0.639 1
1 646 . 3 1 1 A 52 52 ARG CB C 52 29.900 29.660 0.240 1
1 649 . 3 1 1 A 52 52 ARG N N 52 120.200 120.124 0.076 1
1 650 . 3 1 1 A 53 53 GLN H H 53 8.540 8.208 0.332 1
1 651 . 3 1 1 A 53 53 GLN HA H 53 4.050 4.075 -0.025 1
1 658 . 3 1 1 A 53 53 GLN C C 53 177.600 178.536 -0.936 1
1 659 . 3 1 1 A 53 53 GLN CA C 53 58.700 58.872 -0.172 1
1 660 . 3 1 1 A 53 53 GLN CB C 53 28.100 28.838 -0.738 1
1 662 . 3 1 1 A 53 53 GLN N N 53 119.100 118.808 0.292 1
1 664 . 3 1 1 A 54 54 HIS H H 54 8.010 8.050 -0.040 1
1 665 . 3 1 1 A 54 54 HIS HA H 54 4.410 4.225 0.185 1
1 668 . 3 1 1 A 54 54 HIS C C 54 177.800 177.003 0.797 1
1 669 . 3 1 1 A 54 54 HIS CA C 54 59.700 60.292 -0.592 1
1 670 . 3 1 1 A 54 54 HIS CB C 54 30.600 29.494 1.106 1
1 671 . 3 1 1 A 54 54 HIS N N 54 119.300 119.851 -0.551 1
1 672 . 3 1 1 A 55 55 GLU H H 55 8.460 8.421 0.039 1
1 673 . 3 1 1 A 55 55 GLU HA H 55 3.940 4.011 -0.071 1
1 678 . 3 1 1 A 55 55 GLU C C 55 178.400 178.478 -0.078 1
1 679 . 3 1 1 A 55 55 GLU CA C 55 58.800 59.476 -0.676 1
1 680 . 3 1 1 A 55 55 GLU CB C 55 29.800 29.424 0.376 1
1 682 . 3 1 1 A 55 55 GLU N N 55 119.700 118.981 0.719 1
1 683 . 3 1 1 A 56 56 ARG H H 56 7.990 8.117 -0.127 1
1 684 . 3 1 1 A 56 56 ARG HA H 56 4.160 4.116 0.044 1
1 691 . 3 1 1 A 56 56 ARG C C 56 177.800 178.045 -0.245 1
1 692 . 3 1 1 A 56 56 ARG CA C 56 58.100 58.899 -0.799 1
1 693 . 3 1 1 A 56 56 ARG CB C 56 30.100 29.556 0.544 1
1 696 . 3 1 1 A 56 56 ARG N N 56 119.200 120.035 -0.835 1
1 697 . 3 1 1 A 57 57 ASP H H 57 8.300 7.902 0.398 1
1 698 . 3 1 1 A 57 57 ASP HA H 57 4.550 4.528 0.022 1
1 701 . 3 1 1 A 57 57 ASP C C 57 177.400 176.036 1.364 1
1 702 . 3 1 1 A 57 57 ASP CA C 57 55.800 56.209 -0.409 1
1 703 . 3 1 1 A 57 57 ASP CB C 57 40.800 41.452 -0.652 1
1 704 . 3 1 1 A 57 57 ASP N N 57 120.000 119.170 0.830 1
1 705 . 3 1 1 A 58 58 THR H H 58 7.890 7.924 -0.034 1
1 706 . 3 1 1 A 58 58 THR HA H 58 4.310 4.261 0.049 1
1 711 . 3 1 1 A 58 58 THR C C 58 175.500 175.411 0.089 1
1 712 . 3 1 1 A 58 58 THR CA C 58 62.200 62.771 -0.571 1
1 713 . 3 1 1 A 58 58 THR CB C 58 69.800 67.570 2.230 1
1 715 . 3 1 1 A 58 58 THR N N 58 111.300 113.339 -2.039 1
1 716 . 3 1 1 A 59 59 GLY H H 59 8.070 7.819 0.251 1
1 717 . 3 1 1 A 59 59 GLY HA2 H 59 4.010 4.129 -0.119 1
1 718 . 3 1 1 A 59 59 GLY HA3 H 59 4.010 4.131 -0.121 1
1 719 . 3 1 1 A 59 59 GLY C C 59 174.700 174.073 0.627 1
1 720 . 3 1 1 A 59 59 GLY CA C 59 45.600 45.533 0.067 1
1 721 . 3 1 1 A 59 59 GLY N N 59 110.600 114.177 -3.577 1
1 722 . 3 1 1 A 60 60 GLY H H 60 8.260 8.426 -0.166 1
1 723 . 3 1 1 A 60 60 GLY HA2 H 60 3.990 3.953 0.037 1
1 724 . 3 1 1 A 60 60 GLY HA3 H 60 3.990 3.954 0.036 1
1 725 . 3 1 1 A 60 60 GLY C C 60 173.900 172.973 0.927 1
1 726 . 3 1 1 A 60 60 GLY CA C 60 45.100 46.583 -1.483 1
1 727 . 3 1 1 A 60 60 GLY N N 60 108.700 108.122 0.578 1
1 728 . 3 1 1 A 61 61 ASP H H 61 8.320 8.335 -0.015 1
1 729 . 3 1 1 A 61 61 ASP HA H 61 4.650 4.910 -0.260 1
1 732 . 3 1 1 A 61 61 ASP C C 61 176.200 175.149 1.051 1
1 733 . 3 1 1 A 61 61 ASP CA C 61 54.200 53.259 0.941 1
1 734 . 3 1 1 A 61 61 ASP CB C 61 41.300 42.015 -0.715 1
1 735 . 3 1 1 A 61 61 ASP N N 61 120.500 123.949 -3.449 1
1 736 . 3 1 1 A 62 62 ASP H H 62 8.400 8.588 -0.188 1
1 737 . 3 1 1 A 62 62 ASP HA H 62 4.600 4.996 -0.396 1
1 740 . 3 1 1 A 62 62 ASP C C 62 177.100 176.287 0.813 1
1 741 . 3 1 1 A 62 62 ASP CA C 62 54.200 54.217 -0.017 1
1 742 . 3 1 1 A 62 62 ASP CB C 62 41.100 41.200 -0.100 1
1 743 . 3 1 1 A 62 62 ASP N N 62 121.100 126.333 -5.233 1
1 744 . 3 1 1 A 63 63 GLY H H 63 8.500 8.002 0.498 1
1 745 . 3 1 1 A 63 63 GLY HA2 H 63 3.950 4.045 -0.095 1
1 746 . 3 1 1 A 63 63 GLY HA3 H 63 3.950 4.045 -0.095 1
1 747 . 3 1 1 A 63 63 GLY C C 63 175.000 174.209 0.791 1
1 748 . 3 1 1 A 63 63 GLY CA C 63 45.700 44.554 1.146 1
1 749 . 3 1 1 A 63 63 GLY N N 63 109.400 108.192 1.208 1
1 750 . 3 1 1 A 64 64 GLY H H 64 8.360 8.339 0.021 1
1 751 . 3 1 1 A 64 64 GLY HA2 H 64 3.950 4.249 -0.299 1
1 752 . 3 1 1 A 64 64 GLY HA3 H 64 3.950 4.249 -0.299 1
1 753 . 3 1 1 A 64 64 GLY C C 64 174.300 172.065 2.235 1
1 754 . 3 1 1 A 64 64 GLY CA C 64 45.300 46.369 -1.069 1
1 755 . 3 1 1 A 64 64 GLY N N 64 108.700 109.713 -1.013 1
1 756 . 3 1 1 A 65 65 LEU H H 65 8.020 8.284 -0.264 1
1 757 . 3 1 1 A 65 65 LEU HA H 65 4.460 4.884 -0.424 1
1 767 . 3 1 1 A 65 65 LEU C C 65 178.000 176.043 1.957 1
1 768 . 3 1 1 A 65 65 LEU CA C 65 55.200 53.973 1.227 1
1 769 . 3 1 1 A 65 65 LEU CB C 65 42.700 42.857 -0.157 1
1 773 . 3 1 1 A 65 65 LEU N N 65 121.300 124.676 -3.376 1
1 774 . 3 1 1 A 66 66 THR H H 66 8.470 8.778 -0.308 1
1 775 . 3 1 1 A 66 66 THR HA H 66 4.440 3.960 0.480 1
1 780 . 3 1 1 A 66 66 THR C C 66 175.200 174.544 0.656 1
1 781 . 3 1 1 A 66 66 THR CA C 66 61.600 66.387 -4.787 1
1 782 . 3 1 1 A 66 66 THR CB C 66 70.200 69.166 1.034 1
1 784 . 3 1 1 A 66 66 THR N N 66 114.300 119.677 -5.377 1
1 785 . 3 1 1 A 67 67 THR H H 67 8.370 7.871 0.499 1
1 786 . 3 1 1 A 67 67 THR HA H 67 4.110 3.996 0.114 1
1 791 . 3 1 1 A 67 67 THR C C 67 175.300 173.373 1.927 1
1 792 . 3 1 1 A 67 67 THR CA C 67 63.900 63.160 0.740 1
1 793 . 3 1 1 A 67 67 THR CB C 67 69.100 66.638 2.462 1
1 795 . 3 1 1 A 67 67 THR N N 67 116.600 112.212 4.388 1
1 796 . 3 1 1 A 68 68 ALA H H 68 8.340 7.618 0.722 1
1 797 . 3 1 1 A 68 68 ALA HA H 68 4.220 4.379 -0.159 1
1 801 . 3 1 1 A 68 68 ALA C C 68 179.100 177.447 1.653 1
1 802 . 3 1 1 A 68 68 ALA CA C 68 53.800 51.445 2.355 1
1 803 . 3 1 1 A 68 68 ALA CB C 68 18.700 18.699 0.001 1
1 804 . 3 1 1 A 68 68 ALA N N 68 124.500 124.051 0.449 1
1 805 . 3 1 1 A 69 69 GLU H H 69 8.090 8.678 -0.588 1
1 806 . 3 1 1 A 69 69 GLU HA H 69 4.140 4.481 -0.341 1
1 811 . 3 1 1 A 69 69 GLU C C 69 177.800 177.081 0.719 1
1 812 . 3 1 1 A 69 69 GLU CA C 69 57.700 58.034 -0.334 1
1 813 . 3 1 1 A 69 69 GLU CB C 69 30.100 30.816 -0.716 1
1 815 . 3 1 1 A 69 69 GLU N N 69 119.000 123.522 -4.522 1
1 816 . 3 1 1 A 70 70 ARG H H 70 8.300 8.126 0.174 1
1 817 . 3 1 1 A 70 70 ARG HA H 70 4.140 4.281 -0.141 1
1 824 . 3 1 1 A 70 70 ARG C C 70 177.400 175.636 1.764 1
1 825 . 3 1 1 A 70 70 ARG CA C 70 57.500 57.495 0.005 1
1 826 . 3 1 1 A 70 70 ARG CB C 70 30.300 31.553 -1.253 1
1 829 . 3 1 1 A 70 70 ARG N N 70 120.400 119.809 0.591 1
1 830 . 3 1 1 A 71 71 GLN H H 71 8.200 7.893 0.307 1
1 831 . 3 1 1 A 71 71 GLN HA H 71 4.200 4.607 -0.407 1
1 838 . 3 1 1 A 71 71 GLN C C 71 176.600 175.566 1.034 1
1 839 . 3 1 1 A 71 71 GLN CA C 71 56.800 54.687 2.113 1
1 840 . 3 1 1 A 71 71 GLN CB C 71 28.900 29.898 -0.998 1
1 842 . 3 1 1 A 71 71 GLN N N 71 119.500 118.172 1.328 1
1 844 . 3 1 1 A 72 72 ARG H H 72 7.990 8.410 -0.420 1
1 845 . 3 1 1 A 72 72 ARG HA H 72 4.240 4.457 -0.217 1
1 847 . 3 1 1 A 72 72 ARG C C 72 176.600 176.671 -0.071 1
1 848 . 3 1 1 A 72 72 ARG CA C 72 56.900 56.990 -0.090 1
1 849 . 3 1 1 A 72 72 ARG CB C 72 30.500 31.167 -0.667 1
1 852 . 3 1 1 A 72 72 ARG N N 72 120.600 125.881 -5.281 1
1 853 . 3 1 1 A 73 73 LEU H H 73 7.980 7.358 0.622 1
1 854 . 3 1 1 A 73 73 LEU HA H 73 4.280 4.515 -0.235 1
1 864 . 3 1 1 A 73 73 LEU C C 73 177.100 175.040 2.060 1
1 865 . 3 1 1 A 73 73 LEU CA C 73 55.300 54.285 1.015 1
1 866 . 3 1 1 A 73 73 LEU CB C 73 42.200 42.910 -0.710 1
1 870 . 3 1 1 A 73 73 LEU N N 73 121.400 121.332 0.068 1
1 871 . 3 1 1 A 74 74 LYS H H 74 8.050 9.066 -1.016 1
1 872 . 3 1 1 A 74 74 LYS HA H 74 4.300 4.819 -0.519 1
1 881 . 3 1 1 A 74 74 LYS C C 74 176.100 175.408 0.692 1
1 882 . 3 1 1 A 74 74 LYS CA C 74 56.000 55.327 0.673 1
1 883 . 3 1 1 A 74 74 LYS CB C 74 33.000 33.117 -0.117 1
1 887 . 3 1 1 A 74 74 LYS N N 74 121.000 127.446 -6.446 1
1 888 . 3 1 1 A 75 75 GLU H H 75 8.360 8.732 -0.372 1
1 889 . 3 1 1 A 75 75 GLU HA H 75 4.550 4.783 -0.233 1
1 894 . 3 1 1 A 75 75 GLU CA C 75 54.400 53.991 0.409 1
1 895 . 3 1 1 A 75 75 GLU CB C 75 29.600 31.146 -1.546 1
1 897 . 3 1 1 A 75 75 GLU N N 75 123.800 125.563 -1.763 1
1 898 . 3 1 1 A 76 76 PRO HA H 76 4.410 4.744 -0.334 1
1 905 . 3 1 1 A 76 76 PRO C C 76 177.000 177.135 -0.135 1
1 906 . 3 1 1 A 76 76 PRO CA C 76 63.300 62.681 0.619 1
1 907 . 3 1 1 A 76 76 PRO CB C 76 32.000 32.953 -0.953 1
1 910 . 3 1 1 A 77 77 GLU H H 77 8.580 8.803 -0.223 1
1 911 . 3 1 1 A 77 77 GLU HA H 77 4.220 4.437 -0.217 1
1 916 . 3 1 1 A 77 77 GLU C C 77 176.700 177.318 -0.618 1
1 917 . 3 1 1 A 77 77 GLU CA C 77 56.800 58.267 -1.467 1
1 918 . 3 1 1 A 77 77 GLU CB C 77 29.900 30.714 -0.814 1
1 920 . 3 1 1 A 77 77 GLU N N 77 120.800 122.527 -1.727 1
1 921 . 3 1 1 A 78 78 ARG H H 78 8.330 7.667 0.663 1
1 922 . 3 1 1 A 78 78 ARG HA H 78 4.270 4.585 -0.315 1
1 925 . 3 1 1 A 78 78 ARG C C 78 176.500 175.934 0.566 1
1 926 . 3 1 1 A 78 78 ARG CA C 78 56.700 54.871 1.829 1
1 927 . 3 1 1 A 78 78 ARG CB C 78 30.600 31.709 -1.109 1
1 930 . 3 1 1 A 78 78 ARG N N 78 122.000 118.941 3.059 1
1 931 . 3 1 1 A 79 79 GLU H H 79 8.020 8.189 -0.169 1
1 932 . 3 1 1 A 79 79 GLU HA H 79 4.230 3.945 0.285 1
1 937 . 3 1 1 A 79 79 GLU C C 79 176.100 176.461 -0.361 1
1 938 . 3 1 1 A 79 79 GLU CA C 79 56.500 57.396 -0.896 1
1 939 . 3 1 1 A 79 79 GLU CB C 79 30.200 27.839 2.361 1
1 941 . 3 1 1 A 79 79 GLU N N 79 121.900 116.997 4.903 1
1 942 . 3 1 1 A 80 80 ASN H H 80 8.510 8.196 0.314 1
1 943 . 3 1 1 A 80 80 ASN HA H 80 4.690 4.837 -0.147 1
1 948 . 3 1 1 A 80 80 ASN C C 80 175.400 174.949 0.451 1
1 949 . 3 1 1 A 80 80 ASN CA C 80 53.300 53.942 -0.642 1
1 950 . 3 1 1 A 80 80 ASN CB C 80 38.500 39.018 -0.518 1
1 951 . 3 1 1 A 80 80 ASN N N 80 120.000 116.919 3.081 1
1 953 . 3 1 1 A 81 81 ARG H H 81 8.400 7.821 0.579 1
1 954 . 3 1 1 A 81 81 ARG HA H 81 4.250 4.562 -0.312 1
1 961 . 3 1 1 A 81 81 ARG C C 81 175.600 175.090 0.510 1
1 962 . 3 1 1 A 81 81 ARG CA C 81 56.500 55.289 1.211 1
1 963 . 3 1 1 A 81 81 ARG CB C 81 30.800 30.779 0.021 1
1 966 . 3 1 1 A 81 81 ARG N N 81 121.900 119.489 2.411 1
1 967 . 3 1 1 A 82 82 GLU H H 82 8.410 8.778 -0.368 1
1 968 . 3 1 1 A 82 82 GLU HA H 82 4.240 4.536 -0.296 1
1 973 . 3 1 1 A 82 82 GLU C C 82 176.400 177.154 -0.754 1
1 974 . 3 1 1 A 82 82 GLU CA C 82 56.700 55.636 1.064 1
1 975 . 3 1 1 A 82 82 GLU CB C 82 29.900 31.235 -1.335 1
1 977 . 3 1 1 A 82 82 GLU N N 82 120.900 124.235 -3.335 1
1 978 . 3 1 1 A 83 83 LEU H H 83 8.120 8.694 -0.574 1
1 979 . 3 1 1 A 83 83 LEU HA H 83 4.310 3.921 0.389 1
1 988 . 3 1 1 A 83 83 LEU C C 83 177.100 175.303 1.797 1
1 989 . 3 1 1 A 83 83 LEU CA C 83 55.200 57.680 -2.480 1
1 990 . 3 1 1 A 83 83 LEU CB C 83 42.100 40.416 1.684 1
1 994 . 3 1 1 A 83 83 LEU N N 83 122.800 118.307 4.493 1
1 995 . 3 1 1 A 84 84 ARG H H 84 8.260 8.316 -0.056 1
1 996 . 3 1 1 A 84 84 ARG HA H 84 4.340 4.779 -0.439 1
1 999 . 3 1 1 A 84 84 ARG C C 84 176.000 175.277 0.723 1
1 1000 . 3 1 1 A 84 84 ARG CA C 84 55.900 54.515 1.385 1
1 1001 . 3 1 1 A 84 84 ARG CB C 84 30.600 33.402 -2.802 1
1 1004 . 3 1 1 A 84 84 ARG N N 84 121.800 117.533 4.267 1
1 1005 . 3 1 1 A 85 85 ARG H H 85 8.390 8.603 -0.213 1
1 1006 . 3 1 1 A 85 85 ARG HA H 85 4.390 4.437 -0.047 1
1 1009 . 3 1 1 A 85 85 ARG C C 85 176.100 175.736 0.364 1
1 1010 . 3 1 1 A 85 85 ARG CA C 85 56.000 55.084 0.916 1
1 1011 . 3 1 1 A 85 85 ARG CB C 85 31.000 30.984 0.016 1
1 1014 . 3 1 1 A 85 85 ARG N N 85 122.800 124.305 -1.505 1
1 1015 . 3 1 1 A 86 86 SER H H 86 8.430 8.665 -0.235 1
1 1016 . 3 1 1 A 86 86 SER HA H 86 4.470 4.385 0.085 1
1 1019 . 3 1 1 A 86 86 SER C C 86 173.300 175.075 -1.775 1
1 1020 . 3 1 1 A 86 86 SER CA C 86 58.200 59.370 -1.170 1
1 1021 . 3 1 1 A 86 86 SER CB C 86 64.000 63.973 0.027 1
1 1022 . 3 1 1 A 86 86 SER N N 86 117.500 115.610 1.890 1
1 1023 . 3 1 1 A 87 87 ASN H H 87 8.120 9.017 -0.897 1
1 1024 . 3 1 1 A 87 87 ASN HA H 87 4.470 5.027 -0.557 1
1 1029 . 3 1 1 A 87 87 ASN CA C 87 54.800 52.394 2.406 1
1 1030 . 3 1 1 A 87 87 ASN CB C 87 40.100 40.285 -0.185 1
1 1031 . 3 1 1 A 87 87 ASN N N 87 125.900 122.194 3.706 1
1 1033 . 3 1 1 A 88 88 ASP HA H 88 4.640 4.775 -0.135 1
1 1036 . 3 1 1 A 88 88 ASP C C 88 175.700 175.287 0.413 1
1 1037 . 3 1 1 A 88 88 ASP CA C 88 54.500 55.386 -0.886 1
1 1038 . 3 1 1 A 88 88 ASP CB C 88 41.100 43.373 -2.273 1
1 1039 . 3 1 1 A 89 89 ILE H H 89 8.000 7.806 0.194 1
1 1040 . 3 1 1 A 89 89 ILE HA H 89 4.160 4.654 -0.494 1
1 1050 . 3 1 1 A 89 89 ILE C C 89 175.200 174.193 1.007 1
1 1051 . 3 1 1 A 89 89 ILE CA C 89 61.100 59.740 1.360 1
1 1052 . 3 1 1 A 89 89 ILE CB C 89 38.500 41.832 -3.332 1
1 1056 . 3 1 1 A 89 89 ILE N N 89 120.400 118.406 1.994 1
1 1057 . 3 1 1 A 90 90 LEU H H 90 7.880 8.552 -0.672 1
1 1058 . 3 1 1 A 90 90 LEU HA H 90 4.190 4.705 -0.515 1
1 1067 . 3 1 1 A 90 90 LEU CA C 90 56.700 54.796 1.904 1
1 1068 . 3 1 1 A 90 90 LEU CB C 90 43.300 44.176 -0.876 1
1 1072 . 3 1 1 A 90 90 LEU N N 90 131.900 124.868 7.032 1
1 1073 . 3 1 1 A 93 93 ALA HA H 93 4.370 4.025 0.345 1
1 1077 . 3 1 1 A 93 93 ALA C C 93 176.600 177.236 -0.636 1
1 1078 . 3 1 1 A 93 93 ALA CA C 93 52.300 53.247 -0.947 1
1 1079 . 3 1 1 A 93 93 ALA CB C 93 19.200 17.883 1.317 1
1 1080 . 3 1 1 A 94 94 SER H H 94 7.910 7.809 0.101 1
1 1081 . 3 1 1 A 94 94 SER HA H 94 4.250 4.446 -0.196 1
1 1084 . 3 1 1 A 94 94 SER CA C 94 59.900 57.464 2.436 1
1 1085 . 3 1 1 A 94 94 SER CB C 94 64.700 63.678 1.022 1
1 1 . 4 1 1 A 2 2 THR HA H 2 4.360 4.319 0.041 1
1 6 . 4 1 1 A 2 2 THR C C 2 174.300 176.601 -2.301 1
1 7 . 4 1 1 A 2 2 THR CA C 2 61.900 64.033 -2.133 1
1 8 . 4 1 1 A 2 2 THR CB C 2 69.900 69.844 0.056 1
1 10 . 4 1 1 A 3 3 LYS H H 3 8.520 7.785 0.735 1
1 11 . 4 1 1 A 3 3 LYS HA H 3 4.320 4.225 0.095 1
1 20 . 4 1 1 A 3 3 LYS C C 3 176.100 176.709 -0.609 1
1 21 . 4 1 1 A 3 3 LYS CA C 3 56.400 58.433 -2.033 1
1 22 . 4 1 1 A 3 3 LYS CB C 3 33.000 33.052 -0.052 1
1 26 . 4 1 1 A 3 3 LYS N N 3 124.100 119.554 4.546 1
1 27 . 4 1 1 A 4 4 ASN H H 4 8.560 7.901 0.659 1
1 28 . 4 1 1 A 4 4 ASN HA H 4 4.760 5.160 -0.400 1
1 33 . 4 1 1 A 4 4 ASN C C 4 175.200 174.355 0.845 1
1 34 . 4 1 1 A 4 4 ASN CA C 4 53.300 51.669 1.631 1
1 35 . 4 1 1 A 4 4 ASN CB C 4 38.900 41.332 -2.432 1
1 36 . 4 1 1 A 4 4 ASN N N 4 120.200 113.571 6.629 1
1 38 . 4 1 1 A 5 5 THR H H 5 8.130 8.403 -0.273 1
1 39 . 4 1 1 A 5 5 THR HA H 5 4.310 4.462 -0.152 1
1 44 . 4 1 1 A 5 5 THR C C 5 173.900 174.751 -0.851 1
1 45 . 4 1 1 A 5 5 THR CA C 5 61.800 63.227 -1.427 1
1 46 . 4 1 1 A 5 5 THR CB C 5 69.500 69.904 -0.404 1
1 48 . 4 1 1 A 5 5 THR N N 5 114.900 114.685 0.215 1
1 49 . 4 1 1 A 6 6 ARG H H 6 8.160 7.664 0.496 1
1 50 . 4 1 1 A 6 6 ARG HA H 6 4.300 4.797 -0.497 1
1 57 . 4 1 1 A 6 6 ARG C C 6 176.300 175.067 1.233 1
1 58 . 4 1 1 A 6 6 ARG CA C 6 56.300 54.207 2.093 1
1 59 . 4 1 1 A 6 6 ARG CB C 6 30.700 33.429 -2.729 1
1 62 . 4 1 1 A 6 6 ARG N N 6 123.600 121.720 1.880 1
1 63 . 4 1 1 A 7 7 PHE H H 7 8.460 8.328 0.132 1
1 64 . 4 1 1 A 7 7 PHE HA H 7 4.760 4.739 0.021 1
1 72 . 4 1 1 A 7 7 PHE C C 7 175.000 175.274 -0.274 1
1 73 . 4 1 1 A 7 7 PHE CA C 7 56.700 56.334 0.366 1
1 74 . 4 1 1 A 7 7 PHE CB C 7 40.300 40.702 -0.402 1
1 80 . 4 1 1 A 7 7 PHE N N 7 121.500 122.415 -0.915 1
1 81 . 4 1 1 A 8 8 SER H H 8 8.520 8.934 -0.414 1
1 82 . 4 1 1 A 8 8 SER HA H 8 4.600 4.464 0.136 1
1 85 . 4 1 1 A 8 8 SER CA C 8 56.700 57.100 -0.400 1
1 86 . 4 1 1 A 8 8 SER CB C 8 62.600 63.007 -0.407 1
1 87 . 4 1 1 A 8 8 SER N N 8 121.500 116.677 4.823 1
1 88 . 4 1 1 A 9 9 PRO HA H 9 3.920 4.301 -0.381 1
1 95 . 4 1 1 A 9 9 PRO C C 9 178.500 177.918 0.582 1
1 96 . 4 1 1 A 9 9 PRO CA C 9 65.800 64.416 1.384 1
1 97 . 4 1 1 A 9 9 PRO CB C 9 31.500 32.130 -0.630 1
1 100 . 4 1 1 A 10 10 GLU H H 10 8.610 8.112 0.498 1
1 101 . 4 1 1 A 10 10 GLU HA H 10 3.990 4.059 -0.069 1
1 106 . 4 1 1 A 10 10 GLU C C 10 179.100 178.869 0.231 1
1 107 . 4 1 1 A 10 10 GLU CA C 10 60.000 59.569 0.431 1
1 108 . 4 1 1 A 10 10 GLU CB C 10 28.800 29.255 -0.455 1
1 110 . 4 1 1 A 10 10 GLU N N 10 116.600 118.055 -1.455 1
1 111 . 4 1 1 A 11 11 VAL H H 11 7.510 8.210 -0.700 1
1 112 . 4 1 1 A 11 11 VAL HA H 11 3.610 3.433 0.177 1
1 120 . 4 1 1 A 11 11 VAL C C 11 177.700 177.742 -0.042 1
1 121 . 4 1 1 A 11 11 VAL CA C 11 66.400 66.756 -0.356 1
1 122 . 4 1 1 A 11 11 VAL CB C 11 31.600 31.267 0.333 1
1 125 . 4 1 1 A 11 11 VAL N N 11 122.700 120.854 1.846 1
1 126 . 4 1 1 A 12 12 ARG H H 12 7.800 7.793 0.007 1
1 127 . 4 1 1 A 12 12 ARG HA H 12 3.440 3.409 0.031 1
1 135 . 4 1 1 A 12 12 ARG C C 12 178.000 178.841 -0.841 1
1 136 . 4 1 1 A 12 12 ARG CA C 12 59.300 59.466 -0.166 1
1 137 . 4 1 1 A 12 12 ARG CB C 12 29.600 29.544 0.056 1
1 140 . 4 1 1 A 12 12 ARG N N 12 118.700 119.047 -0.347 1
1 142 . 4 1 1 A 13 13 GLN H H 13 8.050 7.995 0.055 1
1 143 . 4 1 1 A 13 13 GLN HA H 13 3.860 3.960 -0.100 1
1 150 . 4 1 1 A 13 13 GLN C C 13 178.800 178.588 0.212 1
1 151 . 4 1 1 A 13 13 GLN CA C 13 58.600 58.971 -0.371 1
1 152 . 4 1 1 A 13 13 GLN CB C 13 28.300 28.459 -0.159 1
1 154 . 4 1 1 A 13 13 GLN N N 13 116.100 118.710 -2.610 1
1 156 . 4 1 1 A 14 14 ARG H H 14 7.750 8.009 -0.259 1
1 157 . 4 1 1 A 14 14 ARG HA H 14 3.970 4.010 -0.040 1
1 164 . 4 1 1 A 14 14 ARG C C 14 177.900 178.693 -0.793 1
1 165 . 4 1 1 A 14 14 ARG CA C 14 59.100 58.941 0.159 1
1 166 . 4 1 1 A 14 14 ARG CB C 14 30.000 30.235 -0.235 1
1 169 . 4 1 1 A 14 14 ARG N N 14 120.400 119.569 0.831 1
1 170 . 4 1 1 A 15 15 ALA H H 15 8.500 7.763 0.737 1
1 171 . 4 1 1 A 15 15 ALA HA H 15 4.040 4.070 -0.030 1
1 175 . 4 1 1 A 15 15 ALA C C 15 178.800 179.890 -1.090 1
1 176 . 4 1 1 A 15 15 ALA CA C 15 55.300 55.137 0.163 1
1 177 . 4 1 1 A 15 15 ALA CB C 15 19.700 18.774 0.926 1
1 178 . 4 1 1 A 15 15 ALA N N 15 122.200 122.206 -0.006 1
1 179 . 4 1 1 A 16 16 VAL H H 16 8.230 8.346 -0.116 1
1 180 . 4 1 1 A 16 16 VAL HA H 16 3.360 3.406 -0.046 1
1 188 . 4 1 1 A 16 16 VAL C C 16 177.700 177.424 0.276 1
1 189 . 4 1 1 A 16 16 VAL CA C 16 67.100 66.642 0.458 1
1 190 . 4 1 1 A 16 16 VAL CB C 16 31.600 31.437 0.163 1
1 193 . 4 1 1 A 16 16 VAL N N 16 116.500 118.210 -1.710 1
1 194 . 4 1 1 A 17 17 ARG H H 17 7.900 8.175 -0.275 1
1 195 . 4 1 1 A 17 17 ARG HA H 17 3.830 3.950 -0.120 1
1 202 . 4 1 1 A 17 17 ARG C C 17 178.000 179.327 -1.327 1
1 203 . 4 1 1 A 17 17 ARG CA C 17 59.700 59.901 -0.201 1
1 204 . 4 1 1 A 17 17 ARG CB C 17 29.200 29.761 -0.561 1
1 207 . 4 1 1 A 17 17 ARG N N 17 119.000 119.212 -0.212 1
1 208 . 4 1 1 A 18 18 MET H H 18 8.210 8.189 0.021 1
1 209 . 4 1 1 A 18 18 MET HA H 18 4.090 4.210 -0.120 1
1 217 . 4 1 1 A 18 18 MET C C 18 179.400 178.282 1.118 1
1 218 . 4 1 1 A 18 18 MET CA C 18 59.500 58.154 1.346 1
1 219 . 4 1 1 A 18 18 MET CB C 18 33.600 32.196 1.404 1
1 222 . 4 1 1 A 18 18 MET N N 18 117.300 119.248 -1.948 1
1 223 . 4 1 1 A 19 19 VAL H H 19 7.790 7.966 -0.176 1
1 224 . 4 1 1 A 19 19 VAL HA H 19 3.390 3.535 -0.145 1
1 232 . 4 1 1 A 19 19 VAL C C 19 177.200 178.194 -0.994 1
1 233 . 4 1 1 A 19 19 VAL CA C 19 66.100 66.408 -0.308 1
1 234 . 4 1 1 A 19 19 VAL CB C 19 31.600 31.499 0.101 1
1 237 . 4 1 1 A 19 19 VAL N N 19 119.900 119.463 0.437 1
1 238 . 4 1 1 A 20 20 LEU H H 20 8.280 8.255 0.025 1
1 239 . 4 1 1 A 20 20 LEU HA H 20 4.070 3.884 0.186 1
1 249 . 4 1 1 A 20 20 LEU C C 20 180.600 178.983 1.617 1
1 250 . 4 1 1 A 20 20 LEU CA C 20 57.900 58.241 -0.341 1
1 251 . 4 1 1 A 20 20 LEU CB C 20 40.800 41.159 -0.359 1
1 255 . 4 1 1 A 20 20 LEU N N 20 118.400 119.917 -1.517 1
1 256 . 4 1 1 A 21 21 GLU H H 21 8.690 8.864 -0.174 1
1 257 . 4 1 1 A 21 21 GLU HA H 21 4.230 4.008 0.222 1
1 262 . 4 1 1 A 21 21 GLU C C 21 178.200 178.625 -0.425 1
1 263 . 4 1 1 A 21 21 GLU CA C 21 57.900 59.824 -1.924 1
1 264 . 4 1 1 A 21 21 GLU CB C 21 29.700 29.469 0.231 1
1 266 . 4 1 1 A 21 21 GLU N N 21 115.900 120.379 -4.479 1
1 267 . 4 1 1 A 22 22 SER H H 22 7.580 8.078 -0.498 1
1 268 . 4 1 1 A 22 22 SER HA H 22 4.790 4.389 0.401 1
1 271 . 4 1 1 A 22 22 SER C C 22 175.200 177.130 -1.930 1
1 272 . 4 1 1 A 22 22 SER CA C 22 59.500 60.959 -1.459 1
1 273 . 4 1 1 A 22 22 SER CB C 22 64.500 62.727 1.773 1
1 274 . 4 1 1 A 22 22 SER N N 22 113.000 116.172 -3.172 1
1 275 . 4 1 1 A 23 23 GLN H H 23 7.780 8.438 -0.658 1
1 276 . 4 1 1 A 23 23 GLN HA H 23 4.800 4.056 0.744 1
1 283 . 4 1 1 A 23 23 GLN C C 23 177.100 178.353 -1.253 1
1 284 . 4 1 1 A 23 23 GLN CA C 23 57.800 59.407 -1.607 1
1 285 . 4 1 1 A 23 23 GLN CB C 23 28.100 28.419 -0.319 1
1 287 . 4 1 1 A 23 23 GLN N N 23 119.900 122.439 -2.539 1
1 289 . 4 1 1 A 24 24 GLY H H 24 8.680 8.043 0.637 1
1 290 . 4 1 1 A 24 24 GLY HA2 H 24 3.860 3.985 -0.125 1
1 291 . 4 1 1 A 24 24 GLY HA3 H 24 4.110 3.988 0.122 1
1 292 . 4 1 1 A 24 24 GLY C C 24 175.100 174.777 0.323 1
1 293 . 4 1 1 A 24 24 GLY CA C 24 45.900 45.825 0.075 1
1 294 . 4 1 1 A 24 24 GLY N N 24 108.500 106.604 1.896 1
1 295 . 4 1 1 A 25 25 GLU H H 25 8.110 8.291 -0.181 1
1 296 . 4 1 1 A 25 25 GLU HA H 25 4.210 4.622 -0.412 1
1 301 . 4 1 1 A 25 25 GLU C C 25 175.400 176.173 -0.773 1
1 302 . 4 1 1 A 25 25 GLU CA C 25 56.100 57.455 -1.355 1
1 303 . 4 1 1 A 25 25 GLU CB C 25 29.700 32.224 -2.524 1
1 305 . 4 1 1 A 25 25 GLU N N 25 118.200 118.719 -0.519 1
1 306 . 4 1 1 A 26 26 TYR H H 26 7.690 7.923 -0.233 1
1 307 . 4 1 1 A 26 26 TYR HA H 26 4.690 4.708 -0.018 1
1 314 . 4 1 1 A 26 26 TYR C C 26 175.800 175.371 0.429 1
1 315 . 4 1 1 A 26 26 TYR CA C 26 57.000 57.858 -0.858 1
1 316 . 4 1 1 A 26 26 TYR CB C 26 42.200 39.525 2.675 1
1 321 . 4 1 1 A 26 26 TYR N N 26 117.700 118.484 -0.784 1
1 322 . 4 1 1 A 27 27 ASP H H 27 8.850 9.281 -0.431 1
1 323 . 4 1 1 A 27 27 ASP HA H 27 4.520 4.843 -0.323 1
1 326 . 4 1 1 A 27 27 ASP C C 27 175.900 175.111 0.789 1
1 327 . 4 1 1 A 27 27 ASP CA C 27 55.400 55.869 -0.469 1
1 328 . 4 1 1 A 27 27 ASP CB C 27 41.200 43.187 -1.987 1
1 329 . 4 1 1 A 27 27 ASP N N 27 117.500 122.573 -5.073 1
1 330 . 4 1 1 A 28 28 SER H H 28 7.550 8.260 -0.710 1
1 331 . 4 1 1 A 28 28 SER HA H 28 4.740 4.677 0.063 1
1 334 . 4 1 1 A 28 28 SER CA C 28 57.200 59.053 -1.853 1
1 335 . 4 1 1 A 28 28 SER CB C 28 65.800 64.490 1.310 1
1 336 . 4 1 1 A 28 28 SER N N 28 109.000 113.526 -4.526 1
1 337 . 4 1 1 A 29 29 GLN HA H 29 3.950 3.948 0.002 1
1 344 . 4 1 1 A 29 29 GLN C C 29 178.100 177.452 0.648 1
1 345 . 4 1 1 A 29 29 GLN CA C 29 60.200 58.600 1.600 1
1 346 . 4 1 1 A 29 29 GLN CB C 29 29.900 28.170 1.730 1
1 349 . 4 1 1 A 30 30 TRP H H 30 9.010 8.011 0.999 1
1 350 . 4 1 1 A 30 30 TRP HA H 30 4.720 4.355 0.365 1
1 359 . 4 1 1 A 30 30 TRP C C 30 177.100 178.443 -1.343 1
1 360 . 4 1 1 A 30 30 TRP CA C 30 59.300 59.641 -0.341 1
1 361 . 4 1 1 A 30 30 TRP CB C 30 30.000 28.591 1.409 1
1 367 . 4 1 1 A 30 30 TRP N N 30 121.400 120.347 1.053 1
1 369 . 4 1 1 A 31 31 ALA H H 31 8.360 8.236 0.124 1
1 370 . 4 1 1 A 31 31 ALA HA H 31 3.790 4.126 -0.336 1
1 374 . 4 1 1 A 31 31 ALA C C 31 180.300 179.444 0.856 1
1 375 . 4 1 1 A 31 31 ALA CA C 31 55.300 55.166 0.134 1
1 376 . 4 1 1 A 31 31 ALA CB C 31 18.200 18.271 -0.071 1
1 377 . 4 1 1 A 31 31 ALA N N 31 121.600 122.564 -0.964 1
1 378 . 4 1 1 A 32 32 THR H H 32 7.420 7.847 -0.427 1
1 379 . 4 1 1 A 32 32 THR HA H 32 2.620 3.716 -1.096 1
1 384 . 4 1 1 A 32 32 THR C C 32 176.700 176.697 0.003 1
1 385 . 4 1 1 A 32 32 THR CA C 32 66.200 64.948 1.252 1
1 386 . 4 1 1 A 32 32 THR CB C 32 67.800 68.623 -0.823 1
1 388 . 4 1 1 A 32 32 THR N N 32 115.700 110.841 4.859 1
1 389 . 4 1 1 A 33 33 ILE H H 33 8.490 7.842 0.648 1
1 390 . 4 1 1 A 33 33 ILE HA H 33 3.180 3.460 -0.280 1
1 400 . 4 1 1 A 33 33 ILE C C 33 177.300 177.549 -0.249 1
1 401 . 4 1 1 A 33 33 ILE CA C 33 65.900 65.397 0.503 1
1 402 . 4 1 1 A 33 33 ILE CB C 33 37.700 37.552 0.148 1
1 406 . 4 1 1 A 33 33 ILE N N 33 124.100 123.212 0.888 1
1 407 . 4 1 1 A 34 34 CYS H H 34 8.060 8.319 -0.259 1
1 408 . 4 1 1 A 34 34 CYS HA H 34 3.610 4.388 -0.778 1
1 411 . 4 1 1 A 34 34 CYS C C 34 175.800 176.250 -0.450 1
1 412 . 4 1 1 A 34 34 CYS CA C 34 63.800 61.168 2.632 1
1 413 . 4 1 1 A 34 34 CYS CB C 34 26.400 26.774 -0.374 1
1 414 . 4 1 1 A 34 34 CYS N N 34 115.900 119.074 -3.174 1
1 415 . 4 1 1 A 35 35 SER H H 35 7.150 7.481 -0.331 1
1 416 . 4 1 1 A 35 35 SER HA H 35 4.260 4.548 -0.288 1
1 419 . 4 1 1 A 35 35 SER C C 35 175.500 176.644 -1.144 1
1 420 . 4 1 1 A 35 35 SER CA C 35 60.200 60.951 -0.751 1
1 421 . 4 1 1 A 35 35 SER CB C 35 63.600 63.803 -0.203 1
1 422 . 4 1 1 A 35 35 SER N N 35 113.600 115.511 -1.911 1
1 423 . 4 1 1 A 36 36 ILE H H 36 7.650 8.390 -0.740 1
1 424 . 4 1 1 A 36 36 ILE HA H 36 3.850 3.749 0.101 1
1 434 . 4 1 1 A 36 36 ILE C C 36 176.900 177.796 -0.896 1
1 435 . 4 1 1 A 36 36 ILE CA C 36 61.700 64.922 -3.222 1
1 436 . 4 1 1 A 36 36 ILE CB C 36 37.700 37.096 0.604 1
1 440 . 4 1 1 A 36 36 ILE N N 36 120.700 121.615 -0.915 1
1 441 . 4 1 1 A 37 37 ALA H H 37 8.200 8.229 -0.029 1
1 442 . 4 1 1 A 37 37 ALA HA H 37 3.860 4.022 -0.162 1
1 446 . 4 1 1 A 37 37 ALA CA C 37 57.400 57.112 0.288 1
1 447 . 4 1 1 A 37 37 ALA CB C 37 14.900 17.087 -2.187 1
1 448 . 4 1 1 A 37 37 ALA N N 37 122.200 122.864 -0.664 1
1 449 . 4 1 1 A 38 38 PRO HA H 38 4.470 4.349 0.121 1
1 456 . 4 1 1 A 38 38 PRO C C 38 178.800 178.827 -0.027 1
1 457 . 4 1 1 A 38 38 PRO CA C 38 65.600 65.014 0.586 1
1 458 . 4 1 1 A 38 38 PRO CB C 38 31.000 31.383 -0.383 1
1 461 . 4 1 1 A 39 39 LYS H H 39 7.680 7.947 -0.267 1
1 462 . 4 1 1 A 39 39 LYS HA H 39 4.150 4.090 0.060 1
1 471 . 4 1 1 A 39 39 LYS C C 39 177.800 179.205 -1.405 1
1 472 . 4 1 1 A 39 39 LYS CA C 39 58.000 59.400 -1.400 1
1 473 . 4 1 1 A 39 39 LYS CB C 39 31.800 31.887 -0.087 1
1 477 . 4 1 1 A 39 39 LYS N N 39 115.500 118.272 -2.772 1
1 478 . 4 1 1 A 40 40 ILE H H 40 7.540 7.695 -0.155 1
1 479 . 4 1 1 A 40 40 ILE HA H 40 4.130 3.907 0.223 1
1 489 . 4 1 1 A 40 40 ILE C C 40 176.500 176.160 0.340 1
1 490 . 4 1 1 A 40 40 ILE CA C 40 59.600 63.328 -3.728 1
1 491 . 4 1 1 A 40 40 ILE CB C 40 37.300 38.622 -1.322 1
1 495 . 4 1 1 A 40 40 ILE N N 40 117.500 117.740 -0.240 1
1 496 . 4 1 1 A 41 41 GLY H H 41 8.430 8.136 0.294 1
1 497 . 4 1 1 A 41 41 GLY HA2 H 41 4.550 4.074 0.476 1
1 498 . 4 1 1 A 41 41 GLY HA3 H 41 3.790 4.083 -0.293 1
1 499 . 4 1 1 A 41 41 GLY C C 41 173.900 173.574 0.326 1
1 500 . 4 1 1 A 41 41 GLY CA C 41 44.900 45.231 -0.331 1
1 501 . 4 1 1 A 41 41 GLY N N 41 105.100 108.496 -3.396 1
1 502 . 4 1 1 A 42 42 CYS H H 42 7.360 7.640 -0.280 1
1 503 . 4 1 1 A 42 42 CYS HA H 42 5.220 4.906 0.314 1
1 506 . 4 1 1 A 42 42 CYS C C 42 173.100 172.876 0.224 1
1 507 . 4 1 1 A 42 42 CYS CA C 42 53.300 57.340 -4.040 1
1 508 . 4 1 1 A 42 42 CYS CB C 42 31.700 31.128 0.572 1
1 509 . 4 1 1 A 42 42 CYS N N 42 115.400 115.757 -0.357 1
1 510 . 4 1 1 A 43 43 THR H H 43 8.550 8.431 0.119 1
1 511 . 4 1 1 A 43 43 THR HA H 43 4.560 4.823 -0.263 1
1 516 . 4 1 1 A 43 43 THR CA C 43 59.800 60.085 -0.285 1
1 517 . 4 1 1 A 43 43 THR CB C 43 68.500 69.100 -0.600 1
1 519 . 4 1 1 A 43 43 THR N N 43 111.500 113.456 -1.956 1
1 520 . 4 1 1 A 44 44 PRO HA H 44 3.680 4.226 -0.546 1
1 527 . 4 1 1 A 44 44 PRO C C 44 177.300 178.309 -1.009 1
1 528 . 4 1 1 A 44 44 PRO CA C 44 65.200 65.666 -0.466 1
1 529 . 4 1 1 A 44 44 PRO CB C 44 32.400 31.823 0.577 1
1 532 . 4 1 1 A 45 45 GLU H H 45 8.900 9.151 -0.251 1
1 533 . 4 1 1 A 45 45 GLU HA H 45 3.990 4.185 -0.195 1
1 538 . 4 1 1 A 45 45 GLU C C 45 179.000 178.706 0.294 1
1 539 . 4 1 1 A 45 45 GLU CA C 45 61.300 58.678 2.622 1
1 540 . 4 1 1 A 45 45 GLU CB C 45 28.200 28.430 -0.230 1
1 542 . 4 1 1 A 45 45 GLU N N 45 117.100 117.038 0.062 1
1 543 . 4 1 1 A 46 46 THR H H 46 7.680 7.783 -0.103 1
1 544 . 4 1 1 A 46 46 THR HA H 46 3.560 3.803 -0.243 1
1 549 . 4 1 1 A 46 46 THR C C 46 173.800 175.759 -1.959 1
1 550 . 4 1 1 A 46 46 THR CA C 46 66.300 66.654 -0.354 1
1 551 . 4 1 1 A 46 46 THR CB C 46 68.000 67.536 0.464 1
1 553 . 4 1 1 A 46 46 THR N N 46 118.800 116.907 1.893 1
1 554 . 4 1 1 A 47 47 LEU H H 47 7.040 7.528 -0.488 1
1 555 . 4 1 1 A 47 47 LEU HA H 47 3.170 3.492 -0.322 1
1 565 . 4 1 1 A 47 47 LEU C C 47 177.500 178.366 -0.866 1
1 566 . 4 1 1 A 47 47 LEU CA C 47 56.800 57.725 -0.925 1
1 567 . 4 1 1 A 47 47 LEU CB C 47 40.500 41.499 -0.999 1
1 571 . 4 1 1 A 47 47 LEU N N 47 120.600 121.164 -0.564 1
1 572 . 4 1 1 A 48 48 ARG H H 48 8.430 7.497 0.933 1
1 573 . 4 1 1 A 48 48 ARG HA H 48 3.880 3.832 0.048 1
1 580 . 4 1 1 A 48 48 ARG C C 48 177.400 178.467 -1.067 1
1 581 . 4 1 1 A 48 48 ARG CA C 48 60.200 58.851 1.349 1
1 582 . 4 1 1 A 48 48 ARG CB C 48 30.500 29.552 0.948 1
1 585 . 4 1 1 A 48 48 ARG N N 48 118.200 119.307 -1.107 1
1 586 . 4 1 1 A 49 49 VAL H H 49 7.400 7.613 -0.213 1
1 587 . 4 1 1 A 49 49 VAL HA H 49 3.630 3.685 -0.055 1
1 595 . 4 1 1 A 49 49 VAL C C 49 178.900 177.959 0.941 1
1 596 . 4 1 1 A 49 49 VAL CA C 49 67.200 66.281 0.919 1
1 597 . 4 1 1 A 49 49 VAL CB C 49 30.700 31.390 -0.690 1
1 600 . 4 1 1 A 49 49 VAL N N 49 120.300 118.497 1.803 1
1 601 . 4 1 1 A 50 50 TRP H H 50 7.850 7.572 0.278 1
1 602 . 4 1 1 A 50 50 TRP HA H 50 4.740 4.448 0.292 1
1 611 . 4 1 1 A 50 50 TRP C C 50 180.400 178.932 1.468 1
1 612 . 4 1 1 A 50 50 TRP CA C 50 57.800 60.380 -2.580 1
1 613 . 4 1 1 A 50 50 TRP CB C 50 28.700 29.491 -0.791 1
1 619 . 4 1 1 A 50 50 TRP N N 50 120.300 119.883 0.417 1
1 621 . 4 1 1 A 51 51 VAL H H 51 8.820 8.404 0.416 1
1 622 . 4 1 1 A 51 51 VAL HA H 51 3.690 3.711 -0.021 1
1 630 . 4 1 1 A 51 51 VAL C C 51 177.700 178.146 -0.446 1
1 631 . 4 1 1 A 51 51 VAL CA C 51 66.800 66.737 0.063 1
1 632 . 4 1 1 A 51 51 VAL CB C 51 32.000 31.294 0.706 1
1 635 . 4 1 1 A 51 51 VAL N N 51 121.300 120.026 1.274 1
1 636 . 4 1 1 A 52 52 ARG H H 52 8.740 8.565 0.175 1
1 637 . 4 1 1 A 52 52 ARG HA H 52 4.260 4.188 0.072 1
1 644 . 4 1 1 A 52 52 ARG C C 52 179.500 179.037 0.463 1
1 645 . 4 1 1 A 52 52 ARG CA C 52 58.900 59.708 -0.808 1
1 646 . 4 1 1 A 52 52 ARG CB C 52 29.900 29.955 -0.055 1
1 649 . 4 1 1 A 52 52 ARG N N 52 120.200 119.865 0.335 1
1 650 . 4 1 1 A 53 53 GLN H H 53 8.540 8.071 0.469 1
1 651 . 4 1 1 A 53 53 GLN HA H 53 4.050 4.100 -0.050 1
1 658 . 4 1 1 A 53 53 GLN C C 53 177.600 178.693 -1.093 1
1 659 . 4 1 1 A 53 53 GLN CA C 53 58.700 59.014 -0.314 1
1 660 . 4 1 1 A 53 53 GLN CB C 53 28.100 28.531 -0.431 1
1 662 . 4 1 1 A 53 53 GLN N N 53 119.100 118.329 0.771 1
1 664 . 4 1 1 A 54 54 HIS H H 54 8.010 8.033 -0.023 1
1 665 . 4 1 1 A 54 54 HIS HA H 54 4.410 4.207 0.203 1
1 668 . 4 1 1 A 54 54 HIS C C 54 177.800 177.522 0.278 1
1 669 . 4 1 1 A 54 54 HIS CA C 54 59.700 59.966 -0.266 1
1 670 . 4 1 1 A 54 54 HIS CB C 54 30.600 29.774 0.826 1
1 671 . 4 1 1 A 54 54 HIS N N 54 119.300 120.357 -1.057 1
1 672 . 4 1 1 A 55 55 GLU H H 55 8.460 8.266 0.194 1
1 673 . 4 1 1 A 55 55 GLU HA H 55 3.940 3.864 0.076 1
1 678 . 4 1 1 A 55 55 GLU C C 55 178.400 179.163 -0.763 1
1 679 . 4 1 1 A 55 55 GLU CA C 55 58.800 59.998 -1.198 1
1 680 . 4 1 1 A 55 55 GLU CB C 55 29.800 29.151 0.649 1
1 682 . 4 1 1 A 55 55 GLU N N 55 119.700 118.796 0.904 1
1 683 . 4 1 1 A 56 56 ARG H H 56 7.990 7.743 0.247 1
1 684 . 4 1 1 A 56 56 ARG HA H 56 4.160 4.004 0.156 1
1 691 . 4 1 1 A 56 56 ARG C C 56 177.800 178.437 -0.637 1
1 692 . 4 1 1 A 56 56 ARG CA C 56 58.100 59.140 -1.040 1
1 693 . 4 1 1 A 56 56 ARG CB C 56 30.100 29.871 0.229 1
1 696 . 4 1 1 A 56 56 ARG N N 56 119.200 121.154 -1.954 1
1 697 . 4 1 1 A 57 57 ASP H H 57 8.300 7.937 0.363 1
1 698 . 4 1 1 A 57 57 ASP HA H 57 4.550 4.311 0.239 1
1 701 . 4 1 1 A 57 57 ASP C C 57 177.400 178.577 -1.177 1
1 702 . 4 1 1 A 57 57 ASP CA C 57 55.800 57.076 -1.276 1
1 703 . 4 1 1 A 57 57 ASP CB C 57 40.800 40.550 0.250 1
1 704 . 4 1 1 A 57 57 ASP N N 57 120.000 119.902 0.098 1
1 705 . 4 1 1 A 58 58 THR H H 58 7.890 7.656 0.234 1
1 706 . 4 1 1 A 58 58 THR HA H 58 4.310 3.959 0.351 1
1 711 . 4 1 1 A 58 58 THR C C 58 175.500 177.192 -1.692 1
1 712 . 4 1 1 A 58 58 THR CA C 58 62.200 66.314 -4.114 1
1 713 . 4 1 1 A 58 58 THR CB C 58 69.800 68.025 1.775 1
1 715 . 4 1 1 A 58 58 THR N N 58 111.300 117.851 -6.551 1
1 716 . 4 1 1 A 59 59 GLY H H 59 8.070 8.219 -0.149 1
1 717 . 4 1 1 A 59 59 GLY HA2 H 59 4.010 3.813 0.197 1
1 718 . 4 1 1 A 59 59 GLY HA3 H 59 4.010 3.815 0.195 1
1 719 . 4 1 1 A 59 59 GLY C C 59 174.700 176.100 -1.400 1
1 720 . 4 1 1 A 59 59 GLY CA C 59 45.600 47.020 -1.420 1
1 721 . 4 1 1 A 59 59 GLY N N 59 110.600 107.972 2.628 1
1 722 . 4 1 1 A 60 60 GLY H H 60 8.260 8.412 -0.152 1
1 723 . 4 1 1 A 60 60 GLY HA2 H 60 3.990 3.984 0.006 1
1 724 . 4 1 1 A 60 60 GLY HA3 H 60 3.990 3.989 0.001 1
1 725 . 4 1 1 A 60 60 GLY C C 60 173.900 173.600 0.300 1
1 726 . 4 1 1 A 60 60 GLY CA C 60 45.100 46.668 -1.568 1
1 727 . 4 1 1 A 60 60 GLY N N 60 108.700 108.930 -0.230 1
1 728 . 4 1 1 A 61 61 ASP H H 61 8.320 7.798 0.522 1
1 729 . 4 1 1 A 61 61 ASP HA H 61 4.650 4.986 -0.336 1
1 732 . 4 1 1 A 61 61 ASP C C 61 176.200 175.752 0.448 1
1 733 . 4 1 1 A 61 61 ASP CA C 61 54.200 52.993 1.207 1
1 734 . 4 1 1 A 61 61 ASP CB C 61 41.300 43.359 -2.059 1
1 735 . 4 1 1 A 61 61 ASP N N 61 120.500 118.255 2.245 1
1 736 . 4 1 1 A 62 62 ASP H H 62 8.400 8.848 -0.448 1
1 737 . 4 1 1 A 62 62 ASP HA H 62 4.600 4.323 0.277 1
1 740 . 4 1 1 A 62 62 ASP C C 62 177.100 176.225 0.875 1
1 741 . 4 1 1 A 62 62 ASP CA C 62 54.200 55.865 -1.665 1
1 742 . 4 1 1 A 62 62 ASP CB C 62 41.100 41.839 -0.739 1
1 743 . 4 1 1 A 62 62 ASP N N 62 121.100 125.160 -4.060 1
1 744 . 4 1 1 A 63 63 GLY H H 63 8.500 7.824 0.676 1
1 745 . 4 1 1 A 63 63 GLY HA2 H 63 3.950 4.057 -0.107 1
1 746 . 4 1 1 A 63 63 GLY HA3 H 63 3.950 4.066 -0.116 1
1 747 . 4 1 1 A 63 63 GLY C C 63 175.000 174.112 0.888 1
1 748 . 4 1 1 A 63 63 GLY CA C 63 45.700 45.606 0.094 1
1 749 . 4 1 1 A 63 63 GLY N N 63 109.400 106.819 2.581 1
1 750 . 4 1 1 A 64 64 GLY H H 64 8.360 8.577 -0.217 1
1 751 . 4 1 1 A 64 64 GLY HA2 H 64 3.950 4.131 -0.181 1
1 752 . 4 1 1 A 64 64 GLY HA3 H 64 3.950 4.133 -0.183 1
1 753 . 4 1 1 A 64 64 GLY C C 64 174.300 173.827 0.473 1
1 754 . 4 1 1 A 64 64 GLY CA C 64 45.300 45.563 -0.263 1
1 755 . 4 1 1 A 64 64 GLY N N 64 108.700 108.998 -0.298 1
1 756 . 4 1 1 A 65 65 LEU H H 65 8.020 7.705 0.315 1
1 757 . 4 1 1 A 65 65 LEU HA H 65 4.460 4.778 -0.318 1
1 767 . 4 1 1 A 65 65 LEU C C 65 178.000 175.430 2.570 1
1 768 . 4 1 1 A 65 65 LEU CA C 65 55.200 53.924 1.276 1
1 769 . 4 1 1 A 65 65 LEU CB C 65 42.700 43.615 -0.915 1
1 773 . 4 1 1 A 65 65 LEU N N 65 121.300 123.340 -2.040 1
1 774 . 4 1 1 A 66 66 THR H H 66 8.470 8.730 -0.260 1
1 775 . 4 1 1 A 66 66 THR HA H 66 4.440 4.844 -0.404 1
1 780 . 4 1 1 A 66 66 THR C C 66 175.200 172.962 2.238 1
1 781 . 4 1 1 A 66 66 THR CA C 66 61.600 60.245 1.355 1
1 782 . 4 1 1 A 66 66 THR CB C 66 70.200 70.822 -0.622 1
1 784 . 4 1 1 A 66 66 THR N N 66 114.300 119.563 -5.263 1
1 785 . 4 1 1 A 67 67 THR H H 67 8.370 8.862 -0.492 1
1 786 . 4 1 1 A 67 67 THR HA H 67 4.110 4.523 -0.413 1
1 791 . 4 1 1 A 67 67 THR C C 67 175.300 174.134 1.166 1
1 792 . 4 1 1 A 67 67 THR CA C 67 63.900 62.686 1.214 1
1 793 . 4 1 1 A 67 67 THR CB C 67 69.100 68.636 0.464 1
1 795 . 4 1 1 A 67 67 THR N N 67 116.600 118.385 -1.785 1
1 796 . 4 1 1 A 68 68 ALA H H 68 8.340 8.484 -0.144 1
1 797 . 4 1 1 A 68 68 ALA HA H 68 4.220 4.411 -0.191 1
1 801 . 4 1 1 A 68 68 ALA C C 68 179.100 177.541 1.559 1
1 802 . 4 1 1 A 68 68 ALA CA C 68 53.800 53.114 0.686 1
1 803 . 4 1 1 A 68 68 ALA CB C 68 18.700 20.394 -1.694 1
1 804 . 4 1 1 A 68 68 ALA N N 68 124.500 128.967 -4.467 1
1 805 . 4 1 1 A 69 69 GLU H H 69 8.090 8.010 0.080 1
1 806 . 4 1 1 A 69 69 GLU HA H 69 4.140 4.057 0.083 1
1 811 . 4 1 1 A 69 69 GLU C C 69 177.800 175.682 2.118 1
1 812 . 4 1 1 A 69 69 GLU CA C 69 57.700 57.136 0.564 1
1 813 . 4 1 1 A 69 69 GLU CB C 69 30.100 28.547 1.553 1
1 815 . 4 1 1 A 69 69 GLU N N 69 119.000 114.139 4.861 1
1 816 . 4 1 1 A 70 70 ARG H H 70 8.300 8.511 -0.211 1
1 817 . 4 1 1 A 70 70 ARG HA H 70 4.140 4.453 -0.313 1
1 824 . 4 1 1 A 70 70 ARG C C 70 177.400 176.116 1.284 1
1 825 . 4 1 1 A 70 70 ARG CA C 70 57.500 54.838 2.662 1
1 826 . 4 1 1 A 70 70 ARG CB C 70 30.300 28.363 1.937 1
1 829 . 4 1 1 A 70 70 ARG N N 70 120.400 125.561 -5.161 1
1 830 . 4 1 1 A 71 71 GLN H H 71 8.200 8.477 -0.277 1
1 831 . 4 1 1 A 71 71 GLN HA H 71 4.200 4.039 0.161 1
1 838 . 4 1 1 A 71 71 GLN C C 71 176.600 175.851 0.749 1
1 839 . 4 1 1 A 71 71 GLN CA C 71 56.800 56.543 0.257 1
1 840 . 4 1 1 A 71 71 GLN CB C 71 28.900 27.383 1.517 1
1 842 . 4 1 1 A 71 71 GLN N N 71 119.500 119.589 -0.089 1
1 844 . 4 1 1 A 72 72 ARG H H 72 7.990 8.218 -0.228 1
1 845 . 4 1 1 A 72 72 ARG HA H 72 4.240 4.111 0.129 1
1 847 . 4 1 1 A 72 72 ARG C C 72 176.600 176.132 0.468 1
1 848 . 4 1 1 A 72 72 ARG CA C 72 56.900 58.143 -1.243 1
1 849 . 4 1 1 A 72 72 ARG CB C 72 30.500 31.155 -0.655 1
1 852 . 4 1 1 A 72 72 ARG N N 72 120.600 125.836 -5.236 1
1 853 . 4 1 1 A 73 73 LEU H H 73 7.980 8.112 -0.132 1
1 854 . 4 1 1 A 73 73 LEU HA H 73 4.280 4.630 -0.350 1
1 864 . 4 1 1 A 73 73 LEU C C 73 177.100 177.694 -0.594 1
1 865 . 4 1 1 A 73 73 LEU CA C 73 55.300 53.405 1.895 1
1 866 . 4 1 1 A 73 73 LEU CB C 73 42.200 43.569 -1.369 1
1 870 . 4 1 1 A 73 73 LEU N N 73 121.400 118.864 2.536 1
1 871 . 4 1 1 A 74 74 LYS H H 74 8.050 8.523 -0.473 1
1 872 . 4 1 1 A 74 74 LYS HA H 74 4.300 4.221 0.079 1
1 881 . 4 1 1 A 74 74 LYS C C 74 176.100 177.098 -0.998 1
1 882 . 4 1 1 A 74 74 LYS CA C 74 56.000 58.831 -2.831 1
1 883 . 4 1 1 A 74 74 LYS CB C 74 33.000 32.976 0.024 1
1 887 . 4 1 1 A 74 74 LYS N N 74 121.000 121.061 -0.061 1
1 888 . 4 1 1 A 75 75 GLU H H 75 8.360 7.897 0.463 1
1 889 . 4 1 1 A 75 75 GLU HA H 75 4.550 4.580 -0.030 1
1 894 . 4 1 1 A 75 75 GLU CA C 75 54.400 53.237 1.163 1
1 895 . 4 1 1 A 75 75 GLU CB C 75 29.600 30.195 -0.595 1
1 897 . 4 1 1 A 75 75 GLU N N 75 123.800 118.544 5.256 1
1 898 . 4 1 1 A 76 76 PRO HA H 76 4.410 4.302 0.108 1
1 905 . 4 1 1 A 76 76 PRO C C 76 177.000 177.257 -0.257 1
1 906 . 4 1 1 A 76 76 PRO CA C 76 63.300 65.102 -1.802 1
1 907 . 4 1 1 A 76 76 PRO CB C 76 32.000 31.926 0.074 1
1 910 . 4 1 1 A 77 77 GLU H H 77 8.580 8.115 0.465 1
1 911 . 4 1 1 A 77 77 GLU HA H 77 4.220 3.991 0.229 1
1 916 . 4 1 1 A 77 77 GLU C C 77 176.700 176.838 -0.138 1
1 917 . 4 1 1 A 77 77 GLU CA C 77 56.800 57.292 -0.492 1
1 918 . 4 1 1 A 77 77 GLU CB C 77 29.900 28.142 1.758 1
1 920 . 4 1 1 A 77 77 GLU N N 77 120.800 118.589 2.211 1
1 921 . 4 1 1 A 78 78 ARG H H 78 8.330 8.067 0.263 1
1 922 . 4 1 1 A 78 78 ARG HA H 78 4.270 4.315 -0.045 1
1 925 . 4 1 1 A 78 78 ARG C C 78 176.500 175.152 1.348 1
1 926 . 4 1 1 A 78 78 ARG CA C 78 56.700 56.124 0.576 1
1 927 . 4 1 1 A 78 78 ARG CB C 78 30.600 29.262 1.338 1
1 930 . 4 1 1 A 78 78 ARG N N 78 122.000 117.447 4.553 1
1 931 . 4 1 1 A 79 79 GLU H H 79 8.020 9.011 -0.991 1
1 932 . 4 1 1 A 79 79 GLU HA H 79 4.230 4.361 -0.131 1
1 937 . 4 1 1 A 79 79 GLU C C 79 176.100 175.566 0.534 1
1 938 . 4 1 1 A 79 79 GLU CA C 79 56.500 55.687 0.813 1
1 939 . 4 1 1 A 79 79 GLU CB C 79 30.200 27.992 2.208 1
1 941 . 4 1 1 A 79 79 GLU N N 79 121.900 124.246 -2.346 1
1 942 . 4 1 1 A 80 80 ASN H H 80 8.510 8.342 0.168 1
1 943 . 4 1 1 A 80 80 ASN HA H 80 4.690 5.046 -0.356 1
1 948 . 4 1 1 A 80 80 ASN C C 80 175.400 175.300 0.100 1
1 949 . 4 1 1 A 80 80 ASN CA C 80 53.300 52.035 1.265 1
1 950 . 4 1 1 A 80 80 ASN CB C 80 38.500 39.441 -0.941 1
1 951 . 4 1 1 A 80 80 ASN N N 80 120.000 124.189 -4.189 1
1 953 . 4 1 1 A 81 81 ARG H H 81 8.400 8.192 0.208 1
1 954 . 4 1 1 A 81 81 ARG HA H 81 4.250 4.049 0.201 1
1 961 . 4 1 1 A 81 81 ARG C C 81 175.600 177.150 -1.550 1
1 962 . 4 1 1 A 81 81 ARG CA C 81 56.500 59.432 -2.932 1
1 963 . 4 1 1 A 81 81 ARG CB C 81 30.800 30.182 0.618 1
1 966 . 4 1 1 A 81 81 ARG N N 81 121.900 123.541 -1.641 1
1 967 . 4 1 1 A 82 82 GLU H H 82 8.410 7.756 0.654 1
1 968 . 4 1 1 A 82 82 GLU HA H 82 4.240 4.440 -0.200 1
1 973 . 4 1 1 A 82 82 GLU C C 82 176.400 175.704 0.696 1
1 974 . 4 1 1 A 82 82 GLU CA C 82 56.700 55.873 0.827 1
1 975 . 4 1 1 A 82 82 GLU CB C 82 29.900 29.855 0.045 1
1 977 . 4 1 1 A 82 82 GLU N N 82 120.900 118.047 2.853 1
1 978 . 4 1 1 A 83 83 LEU H H 83 8.120 8.710 -0.590 1
1 979 . 4 1 1 A 83 83 LEU HA H 83 4.310 4.430 -0.120 1
1 988 . 4 1 1 A 83 83 LEU C C 83 177.100 177.209 -0.109 1
1 989 . 4 1 1 A 83 83 LEU CA C 83 55.200 54.680 0.520 1
1 990 . 4 1 1 A 83 83 LEU CB C 83 42.100 40.317 1.783 1
1 994 . 4 1 1 A 83 83 LEU N N 83 122.800 127.642 -4.842 1
1 995 . 4 1 1 A 84 84 ARG H H 84 8.260 8.330 -0.070 1
1 996 . 4 1 1 A 84 84 ARG HA H 84 4.340 4.551 -0.211 1
1 999 . 4 1 1 A 84 84 ARG C C 84 176.000 175.739 0.261 1
1 1000 . 4 1 1 A 84 84 ARG CA C 84 55.900 55.413 0.487 1
1 1001 . 4 1 1 A 84 84 ARG CB C 84 30.600 29.813 0.787 1
1 1004 . 4 1 1 A 84 84 ARG N N 84 121.800 120.430 1.370 1
1 1005 . 4 1 1 A 85 85 ARG H H 85 8.390 7.600 0.790 1
1 1006 . 4 1 1 A 85 85 ARG HA H 85 4.390 4.665 -0.275 1
1 1009 . 4 1 1 A 85 85 ARG C C 85 176.100 176.392 -0.292 1
1 1010 . 4 1 1 A 85 85 ARG CA C 85 56.000 54.801 1.199 1
1 1011 . 4 1 1 A 85 85 ARG CB C 85 31.000 31.145 -0.145 1
1 1014 . 4 1 1 A 85 85 ARG N N 85 122.800 120.404 2.396 1
1 1015 . 4 1 1 A 86 86 SER H H 86 8.430 8.918 -0.488 1
1 1016 . 4 1 1 A 86 86 SER HA H 86 4.470 4.366 0.104 1
1 1019 . 4 1 1 A 86 86 SER C C 86 173.300 175.004 -1.704 1
1 1020 . 4 1 1 A 86 86 SER CA C 86 58.200 58.564 -0.364 1
1 1021 . 4 1 1 A 86 86 SER CB C 86 64.000 62.379 1.621 1
1 1022 . 4 1 1 A 86 86 SER N N 86 117.500 119.589 -2.089 1
1 1023 . 4 1 1 A 87 87 ASN H H 87 8.120 8.775 -0.655 1
1 1024 . 4 1 1 A 87 87 ASN HA H 87 4.470 4.846 -0.376 1
1 1029 . 4 1 1 A 87 87 ASN CA C 87 54.800 53.677 1.123 1
1 1030 . 4 1 1 A 87 87 ASN CB C 87 40.100 39.687 0.413 1
1 1031 . 4 1 1 A 87 87 ASN N N 87 125.900 123.351 2.549 1
1 1033 . 4 1 1 A 88 88 ASP HA H 88 4.640 5.101 -0.461 1
1 1036 . 4 1 1 A 88 88 ASP C C 88 175.700 174.638 1.062 1
1 1037 . 4 1 1 A 88 88 ASP CA C 88 54.500 52.834 1.666 1
1 1038 . 4 1 1 A 88 88 ASP CB C 88 41.100 44.545 -3.445 1
1 1039 . 4 1 1 A 89 89 ILE H H 89 8.000 9.136 -1.136 1
1 1040 . 4 1 1 A 89 89 ILE HA H 89 4.160 4.563 -0.403 1
1 1050 . 4 1 1 A 89 89 ILE C C 89 175.200 175.042 0.158 1
1 1051 . 4 1 1 A 89 89 ILE CA C 89 61.100 60.459 0.641 1
1 1052 . 4 1 1 A 89 89 ILE CB C 89 38.500 38.042 0.458 1
1 1056 . 4 1 1 A 89 89 ILE N N 89 120.400 126.128 -5.728 1
1 1057 . 4 1 1 A 90 90 LEU H H 90 7.880 8.748 -0.868 1
1 1058 . 4 1 1 A 90 90 LEU HA H 90 4.190 4.442 -0.252 1
1 1067 . 4 1 1 A 90 90 LEU CA C 90 56.700 54.550 2.150 1
1 1068 . 4 1 1 A 90 90 LEU CB C 90 43.300 40.347 2.953 1
1 1072 . 4 1 1 A 90 90 LEU N N 90 131.900 129.432 2.468 1
1 1073 . 4 1 1 A 93 93 ALA HA H 93 4.370 3.914 0.456 1
1 1077 . 4 1 1 A 93 93 ALA C C 93 176.600 176.325 0.275 1
1 1078 . 4 1 1 A 93 93 ALA CA C 93 52.300 53.014 -0.714 1
1 1079 . 4 1 1 A 93 93 ALA CB C 93 19.200 16.935 2.265 1
1 1080 . 4 1 1 A 94 94 SER H H 94 7.910 7.754 0.156 1
1 1081 . 4 1 1 A 94 94 SER HA H 94 4.250 4.380 -0.130 1
1 1084 . 4 1 1 A 94 94 SER CA C 94 59.900 58.149 1.751 1
1 1085 . 4 1 1 A 94 94 SER CB C 94 64.700 63.007 1.693 1
1 1 . 5 1 1 A 2 2 THR HA H 2 4.360 4.751 -0.391 1
1 6 . 5 1 1 A 2 2 THR C C 2 174.300 172.781 1.519 1
1 7 . 5 1 1 A 2 2 THR CA C 2 61.900 60.561 1.339 1
1 8 . 5 1 1 A 2 2 THR CB C 2 69.900 70.253 -0.353 1
1 10 . 5 1 1 A 3 3 LYS H H 3 8.520 8.376 0.144 1
1 11 . 5 1 1 A 3 3 LYS HA H 3 4.320 4.639 -0.319 1
1 20 . 5 1 1 A 3 3 LYS C C 3 176.100 175.090 1.010 1
1 21 . 5 1 1 A 3 3 LYS CA C 3 56.400 55.866 0.534 1
1 22 . 5 1 1 A 3 3 LYS CB C 3 33.000 32.345 0.655 1
1 26 . 5 1 1 A 3 3 LYS N N 3 124.100 125.102 -1.002 1
1 27 . 5 1 1 A 4 4 ASN H H 4 8.560 8.945 -0.385 1
1 28 . 5 1 1 A 4 4 ASN HA H 4 4.760 5.237 -0.477 1
1 33 . 5 1 1 A 4 4 ASN C C 4 175.200 174.852 0.348 1
1 34 . 5 1 1 A 4 4 ASN CA C 4 53.300 51.824 1.476 1
1 35 . 5 1 1 A 4 4 ASN CB C 4 38.900 41.675 -2.775 1
1 36 . 5 1 1 A 4 4 ASN N N 4 120.200 122.734 -2.534 1
1 38 . 5 1 1 A 5 5 THR H H 5 8.130 8.584 -0.454 1
1 39 . 5 1 1 A 5 5 THR HA H 5 4.310 4.042 0.268 1
1 44 . 5 1 1 A 5 5 THR C C 5 173.900 174.220 -0.320 1
1 45 . 5 1 1 A 5 5 THR CA C 5 61.800 63.325 -1.525 1
1 46 . 5 1 1 A 5 5 THR CB C 5 69.500 69.129 0.371 1
1 48 . 5 1 1 A 5 5 THR N N 5 114.900 118.179 -3.279 1
1 49 . 5 1 1 A 6 6 ARG H H 6 8.160 8.333 -0.173 1
1 50 . 5 1 1 A 6 6 ARG HA H 6 4.300 4.408 -0.108 1
1 57 . 5 1 1 A 6 6 ARG C C 6 176.300 175.581 0.719 1
1 58 . 5 1 1 A 6 6 ARG CA C 6 56.300 55.477 0.823 1
1 59 . 5 1 1 A 6 6 ARG CB C 6 30.700 30.864 -0.164 1
1 62 . 5 1 1 A 6 6 ARG N N 6 123.600 126.863 -3.263 1
1 63 . 5 1 1 A 7 7 PHE H H 7 8.460 8.630 -0.170 1
1 64 . 5 1 1 A 7 7 PHE HA H 7 4.760 4.658 0.102 1
1 72 . 5 1 1 A 7 7 PHE C C 7 175.000 175.937 -0.937 1
1 73 . 5 1 1 A 7 7 PHE CA C 7 56.700 58.455 -1.755 1
1 74 . 5 1 1 A 7 7 PHE CB C 7 40.300 39.186 1.114 1
1 80 . 5 1 1 A 7 7 PHE N N 7 121.500 124.796 -3.296 1
1 81 . 5 1 1 A 8 8 SER H H 8 8.520 8.639 -0.119 1
1 82 . 5 1 1 A 8 8 SER HA H 8 4.600 4.674 -0.074 1
1 85 . 5 1 1 A 8 8 SER CA C 8 56.700 55.358 1.342 1
1 86 . 5 1 1 A 8 8 SER CB C 8 62.600 63.575 -0.975 1
1 87 . 5 1 1 A 8 8 SER N N 8 121.500 119.761 1.739 1
1 88 . 5 1 1 A 9 9 PRO HA H 9 3.920 4.181 -0.261 1
1 95 . 5 1 1 A 9 9 PRO C C 9 178.500 178.176 0.324 1
1 96 . 5 1 1 A 9 9 PRO CA C 9 65.800 65.529 0.271 1
1 97 . 5 1 1 A 9 9 PRO CB C 9 31.500 32.028 -0.528 1
1 100 . 5 1 1 A 10 10 GLU H H 10 8.610 7.603 1.007 1
1 101 . 5 1 1 A 10 10 GLU HA H 10 3.990 4.046 -0.056 1
1 106 . 5 1 1 A 10 10 GLU C C 10 179.100 178.862 0.238 1
1 107 . 5 1 1 A 10 10 GLU CA C 10 60.000 59.873 0.127 1
1 108 . 5 1 1 A 10 10 GLU CB C 10 28.800 29.425 -0.625 1
1 110 . 5 1 1 A 10 10 GLU N N 10 116.600 118.040 -1.440 1
1 111 . 5 1 1 A 11 11 VAL H H 11 7.510 7.735 -0.225 1
1 112 . 5 1 1 A 11 11 VAL HA H 11 3.610 3.507 0.103 1
1 120 . 5 1 1 A 11 11 VAL C C 11 177.700 177.908 -0.208 1
1 121 . 5 1 1 A 11 11 VAL CA C 11 66.400 66.670 -0.270 1
1 122 . 5 1 1 A 11 11 VAL CB C 11 31.600 31.409 0.191 1
1 125 . 5 1 1 A 11 11 VAL N N 11 122.700 119.837 2.863 1
1 126 . 5 1 1 A 12 12 ARG H H 12 7.800 7.707 0.093 1
1 127 . 5 1 1 A 12 12 ARG HA H 12 3.440 3.127 0.313 1
1 135 . 5 1 1 A 12 12 ARG C C 12 178.000 178.682 -0.682 1
1 136 . 5 1 1 A 12 12 ARG CA C 12 59.300 59.513 -0.213 1
1 137 . 5 1 1 A 12 12 ARG CB C 12 29.600 29.220 0.380 1
1 140 . 5 1 1 A 12 12 ARG N N 12 118.700 119.605 -0.905 1
1 142 . 5 1 1 A 13 13 GLN H H 13 8.050 7.902 0.148 1
1 143 . 5 1 1 A 13 13 GLN HA H 13 3.860 3.976 -0.116 1
1 150 . 5 1 1 A 13 13 GLN C C 13 178.800 178.708 0.092 1
1 151 . 5 1 1 A 13 13 GLN CA C 13 58.600 58.883 -0.283 1
1 152 . 5 1 1 A 13 13 GLN CB C 13 28.300 28.265 0.035 1
1 154 . 5 1 1 A 13 13 GLN N N 13 116.100 118.062 -1.962 1
1 156 . 5 1 1 A 14 14 ARG H H 14 7.750 8.369 -0.619 1
1 157 . 5 1 1 A 14 14 ARG HA H 14 3.970 3.972 -0.002 1
1 164 . 5 1 1 A 14 14 ARG C C 14 177.900 178.752 -0.852 1
1 165 . 5 1 1 A 14 14 ARG CA C 14 59.100 59.065 0.035 1
1 166 . 5 1 1 A 14 14 ARG CB C 14 30.000 30.127 -0.127 1
1 169 . 5 1 1 A 14 14 ARG N N 14 120.400 119.692 0.708 1
1 170 . 5 1 1 A 15 15 ALA H H 15 8.500 7.721 0.779 1
1 171 . 5 1 1 A 15 15 ALA HA H 15 4.040 4.067 -0.027 1
1 175 . 5 1 1 A 15 15 ALA C C 15 178.800 179.872 -1.072 1
1 176 . 5 1 1 A 15 15 ALA CA C 15 55.300 55.112 0.188 1
1 177 . 5 1 1 A 15 15 ALA CB C 15 19.700 18.731 0.969 1
1 178 . 5 1 1 A 15 15 ALA N N 15 122.200 121.911 0.289 1
1 179 . 5 1 1 A 16 16 VAL H H 16 8.230 7.826 0.404 1
1 180 . 5 1 1 A 16 16 VAL HA H 16 3.360 3.395 -0.035 1
1 188 . 5 1 1 A 16 16 VAL C C 16 177.700 177.841 -0.141 1
1 189 . 5 1 1 A 16 16 VAL CA C 16 67.100 67.151 -0.051 1
1 190 . 5 1 1 A 16 16 VAL CB C 16 31.600 31.335 0.265 1
1 193 . 5 1 1 A 16 16 VAL N N 16 116.500 117.927 -1.427 1
1 194 . 5 1 1 A 17 17 ARG H H 17 7.900 8.497 -0.597 1
1 195 . 5 1 1 A 17 17 ARG HA H 17 3.830 3.847 -0.017 1
1 202 . 5 1 1 A 17 17 ARG C C 17 178.000 178.611 -0.611 1
1 203 . 5 1 1 A 17 17 ARG CA C 17 59.700 59.901 -0.201 1
1 204 . 5 1 1 A 17 17 ARG CB C 17 29.200 29.967 -0.767 1
1 207 . 5 1 1 A 17 17 ARG N N 17 119.000 120.054 -1.054 1
1 208 . 5 1 1 A 18 18 MET H H 18 8.210 8.581 -0.371 1
1 209 . 5 1 1 A 18 18 MET HA H 18 4.090 4.182 -0.092 1
1 217 . 5 1 1 A 18 18 MET C C 18 179.400 178.848 0.552 1
1 218 . 5 1 1 A 18 18 MET CA C 18 59.500 58.504 0.996 1
1 219 . 5 1 1 A 18 18 MET CB C 18 33.600 32.723 0.877 1
1 222 . 5 1 1 A 18 18 MET N N 18 117.300 118.306 -1.006 1
1 223 . 5 1 1 A 19 19 VAL H H 19 7.790 7.957 -0.167 1
1 224 . 5 1 1 A 19 19 VAL HA H 19 3.390 3.650 -0.260 1
1 232 . 5 1 1 A 19 19 VAL C C 19 177.200 178.245 -1.045 1
1 233 . 5 1 1 A 19 19 VAL CA C 19 66.100 67.084 -0.984 1
1 234 . 5 1 1 A 19 19 VAL CB C 19 31.600 31.282 0.318 1
1 237 . 5 1 1 A 19 19 VAL N N 19 119.900 119.831 0.069 1
1 238 . 5 1 1 A 20 20 LEU H H 20 8.280 8.443 -0.163 1
1 239 . 5 1 1 A 20 20 LEU HA H 20 4.070 3.917 0.153 1
1 249 . 5 1 1 A 20 20 LEU C C 20 180.600 179.362 1.238 1
1 250 . 5 1 1 A 20 20 LEU CA C 20 57.900 58.376 -0.476 1
1 251 . 5 1 1 A 20 20 LEU CB C 20 40.800 41.321 -0.521 1
1 255 . 5 1 1 A 20 20 LEU N N 20 118.400 119.672 -1.272 1
1 256 . 5 1 1 A 21 21 GLU H H 21 8.690 8.617 0.073 1
1 257 . 5 1 1 A 21 21 GLU HA H 21 4.230 4.027 0.203 1
1 262 . 5 1 1 A 21 21 GLU C C 21 178.200 178.902 -0.702 1
1 263 . 5 1 1 A 21 21 GLU CA C 21 57.900 59.807 -1.907 1
1 264 . 5 1 1 A 21 21 GLU CB C 21 29.700 29.332 0.368 1
1 266 . 5 1 1 A 21 21 GLU N N 21 115.900 120.006 -4.106 1
1 267 . 5 1 1 A 22 22 SER H H 22 7.580 8.240 -0.660 1
1 268 . 5 1 1 A 22 22 SER HA H 22 4.790 4.328 0.462 1
1 271 . 5 1 1 A 22 22 SER C C 22 175.200 175.603 -0.403 1
1 272 . 5 1 1 A 22 22 SER CA C 22 59.500 60.802 -1.302 1
1 273 . 5 1 1 A 22 22 SER CB C 22 64.500 63.379 1.121 1
1 274 . 5 1 1 A 22 22 SER N N 22 113.000 116.627 -3.627 1
1 275 . 5 1 1 A 23 23 GLN H H 23 7.780 8.082 -0.302 1
1 276 . 5 1 1 A 23 23 GLN HA H 23 4.800 4.226 0.574 1
1 283 . 5 1 1 A 23 23 GLN C C 23 177.100 177.973 -0.873 1
1 284 . 5 1 1 A 23 23 GLN CA C 23 57.800 58.841 -1.041 1
1 285 . 5 1 1 A 23 23 GLN CB C 23 28.100 28.715 -0.615 1
1 287 . 5 1 1 A 23 23 GLN N N 23 119.900 121.972 -2.072 1
1 289 . 5 1 1 A 24 24 GLY H H 24 8.680 7.811 0.869 1
1 290 . 5 1 1 A 24 24 GLY HA2 H 24 3.860 3.952 -0.092 1
1 291 . 5 1 1 A 24 24 GLY HA3 H 24 4.110 3.960 0.150 1
1 292 . 5 1 1 A 24 24 GLY C C 24 175.100 174.979 0.121 1
1 293 . 5 1 1 A 24 24 GLY CA C 24 45.900 45.866 0.034 1
1 294 . 5 1 1 A 24 24 GLY N N 24 108.500 106.906 1.594 1
1 295 . 5 1 1 A 25 25 GLU H H 25 8.110 7.903 0.207 1
1 296 . 5 1 1 A 25 25 GLU HA H 25 4.210 4.186 0.024 1
1 301 . 5 1 1 A 25 25 GLU C C 25 175.400 175.621 -0.221 1
1 302 . 5 1 1 A 25 25 GLU CA C 25 56.100 57.757 -1.657 1
1 303 . 5 1 1 A 25 25 GLU CB C 25 29.700 30.949 -1.249 1
1 305 . 5 1 1 A 25 25 GLU N N 25 118.200 120.740 -2.540 1
1 306 . 5 1 1 A 26 26 TYR H H 26 7.690 8.096 -0.406 1
1 307 . 5 1 1 A 26 26 TYR HA H 26 4.690 4.886 -0.196 1
1 314 . 5 1 1 A 26 26 TYR C C 26 175.800 175.410 0.390 1
1 315 . 5 1 1 A 26 26 TYR CA C 26 57.000 57.736 -0.736 1
1 316 . 5 1 1 A 26 26 TYR CB C 26 42.200 40.166 2.034 1
1 321 . 5 1 1 A 26 26 TYR N N 26 117.700 116.967 0.733 1
1 322 . 5 1 1 A 27 27 ASP H H 27 8.850 8.800 0.050 1
1 323 . 5 1 1 A 27 27 ASP HA H 27 4.520 4.943 -0.423 1
1 326 . 5 1 1 A 27 27 ASP C C 27 175.900 176.140 -0.240 1
1 327 . 5 1 1 A 27 27 ASP CA C 27 55.400 54.996 0.404 1
1 328 . 5 1 1 A 27 27 ASP CB C 27 41.200 43.372 -2.172 1
1 329 . 5 1 1 A 27 27 ASP N N 27 117.500 120.611 -3.111 1
1 330 . 5 1 1 A 28 28 SER H H 28 7.550 7.739 -0.189 1
1 331 . 5 1 1 A 28 28 SER HA H 28 4.740 4.559 0.181 1
1 334 . 5 1 1 A 28 28 SER CA C 28 57.200 59.565 -2.365 1
1 335 . 5 1 1 A 28 28 SER CB C 28 65.800 63.964 1.836 1
1 336 . 5 1 1 A 28 28 SER N N 28 109.000 115.067 -6.067 1
1 337 . 5 1 1 A 29 29 GLN HA H 29 3.950 4.056 -0.106 1
1 344 . 5 1 1 A 29 29 GLN C C 29 178.100 177.268 0.832 1
1 345 . 5 1 1 A 29 29 GLN CA C 29 60.200 58.871 1.329 1
1 346 . 5 1 1 A 29 29 GLN CB C 29 29.900 28.607 1.293 1
1 349 . 5 1 1 A 30 30 TRP H H 30 9.010 8.258 0.752 1
1 350 . 5 1 1 A 30 30 TRP HA H 30 4.720 4.221 0.499 1
1 359 . 5 1 1 A 30 30 TRP C C 30 177.100 178.322 -1.222 1
1 360 . 5 1 1 A 30 30 TRP CA C 30 59.300 60.798 -1.498 1
1 361 . 5 1 1 A 30 30 TRP CB C 30 30.000 29.526 0.474 1
1 367 . 5 1 1 A 30 30 TRP N N 30 121.400 122.463 -1.063 1
1 369 . 5 1 1 A 31 31 ALA H H 31 8.360 8.276 0.084 1
1 370 . 5 1 1 A 31 31 ALA HA H 31 3.790 3.875 -0.085 1
1 374 . 5 1 1 A 31 31 ALA C C 31 180.300 179.991 0.309 1
1 375 . 5 1 1 A 31 31 ALA CA C 31 55.300 55.121 0.179 1
1 376 . 5 1 1 A 31 31 ALA CB C 31 18.200 17.769 0.431 1
1 377 . 5 1 1 A 31 31 ALA N N 31 121.600 121.576 0.024 1
1 378 . 5 1 1 A 32 32 THR H H 32 7.420 7.472 -0.052 1
1 379 . 5 1 1 A 32 32 THR HA H 32 2.620 3.777 -1.157 1
1 384 . 5 1 1 A 32 32 THR C C 32 176.700 176.504 0.196 1
1 385 . 5 1 1 A 32 32 THR CA C 32 66.200 66.504 -0.304 1
1 386 . 5 1 1 A 32 32 THR CB C 32 67.800 68.285 -0.485 1
1 388 . 5 1 1 A 32 32 THR N N 32 115.700 113.798 1.902 1
1 389 . 5 1 1 A 33 33 ILE H H 33 8.490 7.685 0.805 1
1 390 . 5 1 1 A 33 33 ILE HA H 33 3.180 3.406 -0.226 1
1 400 . 5 1 1 A 33 33 ILE C C 33 177.300 177.421 -0.121 1
1 401 . 5 1 1 A 33 33 ILE CA C 33 65.900 65.201 0.699 1
1 402 . 5 1 1 A 33 33 ILE CB C 33 37.700 37.478 0.222 1
1 406 . 5 1 1 A 33 33 ILE N N 33 124.100 120.863 3.237 1
1 407 . 5 1 1 A 34 34 CYS H H 34 8.060 7.851 0.209 1
1 408 . 5 1 1 A 34 34 CYS HA H 34 3.610 3.944 -0.334 1
1 411 . 5 1 1 A 34 34 CYS C C 34 175.800 175.549 0.251 1
1 412 . 5 1 1 A 34 34 CYS CA C 34 63.800 60.107 3.693 1
1 413 . 5 1 1 A 34 34 CYS CB C 34 26.400 26.084 0.316 1
1 414 . 5 1 1 A 34 34 CYS N N 34 115.900 117.968 -2.068 1
1 415 . 5 1 1 A 35 35 SER H H 35 7.150 7.458 -0.308 1
1 416 . 5 1 1 A 35 35 SER HA H 35 4.260 4.354 -0.094 1
1 419 . 5 1 1 A 35 35 SER C C 35 175.500 175.449 0.051 1
1 420 . 5 1 1 A 35 35 SER CA C 35 60.200 61.396 -1.196 1
1 421 . 5 1 1 A 35 35 SER CB C 35 63.600 63.549 0.051 1
1 422 . 5 1 1 A 35 35 SER N N 35 113.600 115.789 -2.189 1
1 423 . 5 1 1 A 36 36 ILE H H 36 7.650 7.767 -0.117 1
1 424 . 5 1 1 A 36 36 ILE HA H 36 3.850 3.813 0.037 1
1 434 . 5 1 1 A 36 36 ILE C C 36 176.900 177.748 -0.848 1
1 435 . 5 1 1 A 36 36 ILE CA C 36 61.700 64.331 -2.631 1
1 436 . 5 1 1 A 36 36 ILE CB C 36 37.700 37.402 0.298 1
1 440 . 5 1 1 A 36 36 ILE N N 36 120.700 121.417 -0.717 1
1 441 . 5 1 1 A 37 37 ALA H H 37 8.200 8.283 -0.083 1
1 442 . 5 1 1 A 37 37 ALA HA H 37 3.860 4.009 -0.149 1
1 446 . 5 1 1 A 37 37 ALA CA C 37 57.400 57.180 0.220 1
1 447 . 5 1 1 A 37 37 ALA CB C 37 14.900 16.874 -1.974 1
1 448 . 5 1 1 A 37 37 ALA N N 37 122.200 123.239 -1.039 1
1 449 . 5 1 1 A 38 38 PRO HA H 38 4.470 4.325 0.145 1
1 456 . 5 1 1 A 38 38 PRO C C 38 178.800 178.743 0.057 1
1 457 . 5 1 1 A 38 38 PRO CA C 38 65.600 64.906 0.694 1
1 458 . 5 1 1 A 38 38 PRO CB C 38 31.000 31.197 -0.197 1
1 461 . 5 1 1 A 39 39 LYS H H 39 7.680 7.625 0.055 1
1 462 . 5 1 1 A 39 39 LYS HA H 39 4.150 4.082 0.068 1
1 471 . 5 1 1 A 39 39 LYS C C 39 177.800 178.942 -1.142 1
1 472 . 5 1 1 A 39 39 LYS CA C 39 58.000 59.489 -1.489 1
1 473 . 5 1 1 A 39 39 LYS CB C 39 31.800 32.154 -0.354 1
1 477 . 5 1 1 A 39 39 LYS N N 39 115.500 118.211 -2.711 1
1 478 . 5 1 1 A 40 40 ILE H H 40 7.540 7.517 0.023 1
1 479 . 5 1 1 A 40 40 ILE HA H 40 4.130 3.967 0.163 1
1 489 . 5 1 1 A 40 40 ILE C C 40 176.500 176.374 0.126 1
1 490 . 5 1 1 A 40 40 ILE CA C 40 59.600 62.811 -3.211 1
1 491 . 5 1 1 A 40 40 ILE CB C 40 37.300 38.762 -1.462 1
1 495 . 5 1 1 A 40 40 ILE N N 40 117.500 117.366 0.134 1
1 496 . 5 1 1 A 41 41 GLY H H 41 8.430 8.280 0.150 1
1 497 . 5 1 1 A 41 41 GLY HA2 H 41 4.550 4.060 0.490 1
1 498 . 5 1 1 A 41 41 GLY HA3 H 41 3.790 4.082 -0.292 1
1 499 . 5 1 1 A 41 41 GLY C C 41 173.900 173.719 0.181 1
1 500 . 5 1 1 A 41 41 GLY CA C 41 44.900 45.577 -0.677 1
1 501 . 5 1 1 A 41 41 GLY N N 41 105.100 108.464 -3.364 1
1 502 . 5 1 1 A 42 42 CYS H H 42 7.360 7.846 -0.486 1
1 503 . 5 1 1 A 42 42 CYS HA H 42 5.220 5.043 0.177 1
1 506 . 5 1 1 A 42 42 CYS C C 42 173.100 172.895 0.205 1
1 507 . 5 1 1 A 42 42 CYS CA C 42 53.300 57.155 -3.855 1
1 508 . 5 1 1 A 42 42 CYS CB C 42 31.700 31.754 -0.054 1
1 509 . 5 1 1 A 42 42 CYS N N 42 115.400 116.064 -0.664 1
1 510 . 5 1 1 A 43 43 THR H H 43 8.550 8.516 0.034 1
1 511 . 5 1 1 A 43 43 THR HA H 43 4.560 4.946 -0.386 1
1 516 . 5 1 1 A 43 43 THR CA C 43 59.800 59.246 0.554 1
1 517 . 5 1 1 A 43 43 THR CB C 43 68.500 69.484 -0.984 1
1 519 . 5 1 1 A 43 43 THR N N 43 111.500 112.523 -1.023 1
1 520 . 5 1 1 A 44 44 PRO HA H 44 3.680 4.060 -0.380 1
1 527 . 5 1 1 A 44 44 PRO C C 44 177.300 178.831 -1.531 1
1 528 . 5 1 1 A 44 44 PRO CA C 44 65.200 65.502 -0.302 1
1 529 . 5 1 1 A 44 44 PRO CB C 44 32.400 31.811 0.589 1
1 532 . 5 1 1 A 45 45 GLU H H 45 8.900 8.276 0.624 1
1 533 . 5 1 1 A 45 45 GLU HA H 45 3.990 4.071 -0.081 1
1 538 . 5 1 1 A 45 45 GLU C C 45 179.000 179.365 -0.365 1
1 539 . 5 1 1 A 45 45 GLU CA C 45 61.300 59.755 1.545 1
1 540 . 5 1 1 A 45 45 GLU CB C 45 28.200 29.009 -0.809 1
1 542 . 5 1 1 A 45 45 GLU N N 45 117.100 117.908 -0.808 1
1 543 . 5 1 1 A 46 46 THR H H 46 7.680 7.499 0.181 1
1 544 . 5 1 1 A 46 46 THR HA H 46 3.560 3.693 -0.133 1
1 549 . 5 1 1 A 46 46 THR C C 46 173.800 175.895 -2.095 1
1 550 . 5 1 1 A 46 46 THR CA C 46 66.300 66.436 -0.136 1
1 551 . 5 1 1 A 46 46 THR CB C 46 68.000 67.263 0.737 1
1 553 . 5 1 1 A 46 46 THR N N 46 118.800 117.412 1.388 1
1 554 . 5 1 1 A 47 47 LEU H H 47 7.040 7.617 -0.577 1
1 555 . 5 1 1 A 47 47 LEU HA H 47 3.170 3.761 -0.591 1
1 565 . 5 1 1 A 47 47 LEU C C 47 177.500 178.701 -1.201 1
1 566 . 5 1 1 A 47 47 LEU CA C 47 56.800 58.060 -1.260 1
1 567 . 5 1 1 A 47 47 LEU CB C 47 40.500 41.537 -1.037 1
1 571 . 5 1 1 A 47 47 LEU N N 47 120.600 121.628 -1.028 1
1 572 . 5 1 1 A 48 48 ARG H H 48 8.430 8.000 0.430 1
1 573 . 5 1 1 A 48 48 ARG HA H 48 3.880 4.034 -0.154 1
1 580 . 5 1 1 A 48 48 ARG C C 48 177.400 178.930 -1.530 1
1 581 . 5 1 1 A 48 48 ARG CA C 48 60.200 58.966 1.234 1
1 582 . 5 1 1 A 48 48 ARG CB C 48 30.500 29.685 0.815 1
1 585 . 5 1 1 A 48 48 ARG N N 48 118.200 118.535 -0.335 1
1 586 . 5 1 1 A 49 49 VAL H H 49 7.400 7.340 0.060 1
1 587 . 5 1 1 A 49 49 VAL HA H 49 3.630 3.553 0.077 1
1 595 . 5 1 1 A 49 49 VAL C C 49 178.900 178.108 0.792 1
1 596 . 5 1 1 A 49 49 VAL CA C 49 67.200 66.248 0.952 1
1 597 . 5 1 1 A 49 49 VAL CB C 49 30.700 31.399 -0.699 1
1 600 . 5 1 1 A 49 49 VAL N N 49 120.300 119.064 1.236 1
1 601 . 5 1 1 A 50 50 TRP H H 50 7.850 7.710 0.140 1
1 602 . 5 1 1 A 50 50 TRP HA H 50 4.740 4.378 0.362 1
1 611 . 5 1 1 A 50 50 TRP C C 50 180.400 179.039 1.361 1
1 612 . 5 1 1 A 50 50 TRP CA C 50 57.800 60.444 -2.644 1
1 613 . 5 1 1 A 50 50 TRP CB C 50 28.700 29.421 -0.721 1
1 619 . 5 1 1 A 50 50 TRP N N 50 120.300 119.669 0.631 1
1 621 . 5 1 1 A 51 51 VAL H H 51 8.820 8.257 0.563 1
1 622 . 5 1 1 A 51 51 VAL HA H 51 3.690 3.713 -0.023 1
1 630 . 5 1 1 A 51 51 VAL C C 51 177.700 177.782 -0.082 1
1 631 . 5 1 1 A 51 51 VAL CA C 51 66.800 66.751 0.049 1
1 632 . 5 1 1 A 51 51 VAL CB C 51 32.000 31.482 0.518 1
1 635 . 5 1 1 A 51 51 VAL N N 51 121.300 119.959 1.341 1
1 636 . 5 1 1 A 52 52 ARG H H 52 8.740 8.364 0.376 1
1 637 . 5 1 1 A 52 52 ARG HA H 52 4.260 3.991 0.269 1
1 644 . 5 1 1 A 52 52 ARG C C 52 179.500 178.781 0.719 1
1 645 . 5 1 1 A 52 52 ARG CA C 52 58.900 59.630 -0.730 1
1 646 . 5 1 1 A 52 52 ARG CB C 52 29.900 29.933 -0.033 1
1 649 . 5 1 1 A 52 52 ARG N N 52 120.200 119.182 1.018 1
1 650 . 5 1 1 A 53 53 GLN H H 53 8.540 8.096 0.444 1
1 651 . 5 1 1 A 53 53 GLN HA H 53 4.050 4.110 -0.060 1
1 658 . 5 1 1 A 53 53 GLN C C 53 177.600 178.706 -1.106 1
1 659 . 5 1 1 A 53 53 GLN CA C 53 58.700 58.814 -0.114 1
1 660 . 5 1 1 A 53 53 GLN CB C 53 28.100 28.675 -0.575 1
1 662 . 5 1 1 A 53 53 GLN N N 53 119.100 118.981 0.119 1
1 664 . 5 1 1 A 54 54 HIS H H 54 8.010 8.277 -0.267 1
1 665 . 5 1 1 A 54 54 HIS HA H 54 4.410 4.200 0.210 1
1 668 . 5 1 1 A 54 54 HIS C C 54 177.800 177.007 0.793 1
1 669 . 5 1 1 A 54 54 HIS CA C 54 59.700 59.889 -0.189 1
1 670 . 5 1 1 A 54 54 HIS CB C 54 30.600 29.910 0.690 1
1 671 . 5 1 1 A 54 54 HIS N N 54 119.300 119.718 -0.418 1
1 672 . 5 1 1 A 55 55 GLU H H 55 8.460 8.440 0.020 1
1 673 . 5 1 1 A 55 55 GLU HA H 55 3.940 3.893 0.047 1
1 678 . 5 1 1 A 55 55 GLU C C 55 178.400 179.662 -1.262 1
1 679 . 5 1 1 A 55 55 GLU CA C 55 58.800 60.087 -1.287 1
1 680 . 5 1 1 A 55 55 GLU CB C 55 29.800 29.280 0.520 1
1 682 . 5 1 1 A 55 55 GLU N N 55 119.700 119.266 0.434 1
1 683 . 5 1 1 A 56 56 ARG H H 56 7.990 7.830 0.160 1
1 684 . 5 1 1 A 56 56 ARG HA H 56 4.160 4.161 -0.001 1
1 691 . 5 1 1 A 56 56 ARG C C 56 177.800 178.498 -0.698 1
1 692 . 5 1 1 A 56 56 ARG CA C 56 58.100 58.651 -0.551 1
1 693 . 5 1 1 A 56 56 ARG CB C 56 30.100 29.555 0.545 1
1 696 . 5 1 1 A 56 56 ARG N N 56 119.200 119.559 -0.359 1
1 697 . 5 1 1 A 57 57 ASP H H 57 8.300 7.979 0.321 1
1 698 . 5 1 1 A 57 57 ASP HA H 57 4.550 4.407 0.143 1
1 701 . 5 1 1 A 57 57 ASP C C 57 177.400 176.860 0.540 1
1 702 . 5 1 1 A 57 57 ASP CA C 57 55.800 57.269 -1.469 1
1 703 . 5 1 1 A 57 57 ASP CB C 57 40.800 41.115 -0.315 1
1 704 . 5 1 1 A 57 57 ASP N N 57 120.000 119.411 0.589 1
1 705 . 5 1 1 A 58 58 THR H H 58 7.890 7.815 0.075 1
1 706 . 5 1 1 A 58 58 THR HA H 58 4.310 4.482 -0.172 1
1 711 . 5 1 1 A 58 58 THR C C 58 175.500 174.125 1.375 1
1 712 . 5 1 1 A 58 58 THR CA C 58 62.200 61.474 0.726 1
1 713 . 5 1 1 A 58 58 THR CB C 58 69.800 66.739 3.061 1
1 715 . 5 1 1 A 58 58 THR N N 58 111.300 113.687 -2.387 1
1 716 . 5 1 1 A 59 59 GLY H H 59 8.070 8.431 -0.361 1
1 717 . 5 1 1 A 59 59 GLY HA2 H 59 4.010 3.934 0.076 1
1 718 . 5 1 1 A 59 59 GLY HA3 H 59 4.010 3.937 0.073 1
1 719 . 5 1 1 A 59 59 GLY C C 59 174.700 174.684 0.016 1
1 720 . 5 1 1 A 59 59 GLY CA C 59 45.600 46.952 -1.352 1
1 721 . 5 1 1 A 59 59 GLY N N 59 110.600 113.121 -2.521 1
1 722 . 5 1 1 A 60 60 GLY H H 60 8.260 7.793 0.467 1
1 723 . 5 1 1 A 60 60 GLY HA2 H 60 3.990 3.995 -0.005 1
1 724 . 5 1 1 A 60 60 GLY HA3 H 60 3.990 3.995 -0.005 1
1 725 . 5 1 1 A 60 60 GLY C C 60 173.900 174.897 -0.997 1
1 726 . 5 1 1 A 60 60 GLY CA C 60 45.100 46.364 -1.264 1
1 727 . 5 1 1 A 60 60 GLY N N 60 108.700 113.174 -4.474 1
1 728 . 5 1 1 A 61 61 ASP H H 61 8.320 8.159 0.161 1
1 729 . 5 1 1 A 61 61 ASP HA H 61 4.650 4.690 -0.040 1
1 732 . 5 1 1 A 61 61 ASP C C 61 176.200 176.482 -0.282 1
1 733 . 5 1 1 A 61 61 ASP CA C 61 54.200 54.441 -0.241 1
1 734 . 5 1 1 A 61 61 ASP CB C 61 41.300 40.907 0.393 1
1 735 . 5 1 1 A 61 61 ASP N N 61 120.500 117.914 2.586 1
1 736 . 5 1 1 A 62 62 ASP H H 62 8.400 7.836 0.564 1
1 737 . 5 1 1 A 62 62 ASP HA H 62 4.600 4.508 0.092 1
1 740 . 5 1 1 A 62 62 ASP C C 62 177.100 176.931 0.169 1
1 741 . 5 1 1 A 62 62 ASP CA C 62 54.200 53.436 0.764 1
1 742 . 5 1 1 A 62 62 ASP CB C 62 41.100 40.385 0.715 1
1 743 . 5 1 1 A 62 62 ASP N N 62 121.100 116.435 4.665 1
1 744 . 5 1 1 A 63 63 GLY H H 63 8.500 8.630 -0.130 1
1 745 . 5 1 1 A 63 63 GLY HA2 H 63 3.950 3.983 -0.033 1
1 746 . 5 1 1 A 63 63 GLY HA3 H 63 3.950 3.984 -0.034 1
1 747 . 5 1 1 A 63 63 GLY C C 63 175.000 174.665 0.335 1
1 748 . 5 1 1 A 63 63 GLY CA C 63 45.700 45.210 0.490 1
1 749 . 5 1 1 A 63 63 GLY N N 63 109.400 110.518 -1.118 1
1 750 . 5 1 1 A 64 64 GLY H H 64 8.360 8.644 -0.284 1
1 751 . 5 1 1 A 64 64 GLY HA2 H 64 3.950 4.006 -0.056 1
1 752 . 5 1 1 A 64 64 GLY HA3 H 64 3.950 4.007 -0.057 1
1 753 . 5 1 1 A 64 64 GLY C C 64 174.300 174.477 -0.177 1
1 754 . 5 1 1 A 64 64 GLY CA C 64 45.300 45.388 -0.088 1
1 755 . 5 1 1 A 64 64 GLY N N 64 108.700 108.726 -0.026 1
1 756 . 5 1 1 A 65 65 LEU H H 65 8.020 8.118 -0.098 1
1 757 . 5 1 1 A 65 65 LEU HA H 65 4.460 4.439 0.021 1
1 767 . 5 1 1 A 65 65 LEU C C 65 178.000 175.039 2.961 1
1 768 . 5 1 1 A 65 65 LEU CA C 65 55.200 53.826 1.374 1
1 769 . 5 1 1 A 65 65 LEU CB C 65 42.700 41.151 1.549 1
1 773 . 5 1 1 A 65 65 LEU N N 65 121.300 121.370 -0.070 1
1 774 . 5 1 1 A 66 66 THR H H 66 8.470 8.512 -0.042 1
1 775 . 5 1 1 A 66 66 THR HA H 66 4.440 4.750 -0.310 1
1 780 . 5 1 1 A 66 66 THR C C 66 175.200 175.448 -0.248 1
1 781 . 5 1 1 A 66 66 THR CA C 66 61.600 60.341 1.259 1
1 782 . 5 1 1 A 66 66 THR CB C 66 70.200 70.166 0.034 1
1 784 . 5 1 1 A 66 66 THR N N 66 114.300 118.900 -4.600 1
1 785 . 5 1 1 A 67 67 THR H H 67 8.370 8.909 -0.539 1
1 786 . 5 1 1 A 67 67 THR HA H 67 4.110 4.026 0.084 1
1 791 . 5 1 1 A 67 67 THR C C 67 175.300 174.352 0.948 1
1 792 . 5 1 1 A 67 67 THR CA C 67 63.900 66.585 -2.685 1
1 793 . 5 1 1 A 67 67 THR CB C 67 69.100 69.193 -0.093 1
1 795 . 5 1 1 A 67 67 THR N N 67 116.600 122.302 -5.702 1
1 796 . 5 1 1 A 68 68 ALA H H 68 8.340 7.796 0.544 1
1 797 . 5 1 1 A 68 68 ALA HA H 68 4.220 4.072 0.148 1
1 801 . 5 1 1 A 68 68 ALA C C 68 179.100 177.319 1.781 1
1 802 . 5 1 1 A 68 68 ALA CA C 68 53.800 53.073 0.727 1
1 803 . 5 1 1 A 68 68 ALA CB C 68 18.700 17.949 0.751 1
1 804 . 5 1 1 A 68 68 ALA N N 68 124.500 122.364 2.136 1
1 805 . 5 1 1 A 69 69 GLU H H 69 8.090 8.308 -0.218 1
1 806 . 5 1 1 A 69 69 GLU HA H 69 4.140 4.010 0.130 1
1 811 . 5 1 1 A 69 69 GLU C C 69 177.800 177.996 -0.196 1
1 812 . 5 1 1 A 69 69 GLU CA C 69 57.700 59.200 -1.500 1
1 813 . 5 1 1 A 69 69 GLU CB C 69 30.100 29.765 0.335 1
1 815 . 5 1 1 A 69 69 GLU N N 69 119.000 124.626 -5.626 1
1 816 . 5 1 1 A 70 70 ARG H H 70 8.300 7.881 0.419 1
1 817 . 5 1 1 A 70 70 ARG HA H 70 4.140 4.255 -0.115 1
1 824 . 5 1 1 A 70 70 ARG C C 70 177.400 177.383 0.017 1
1 825 . 5 1 1 A 70 70 ARG CA C 70 57.500 57.699 -0.199 1
1 826 . 5 1 1 A 70 70 ARG CB C 70 30.300 29.779 0.521 1
1 829 . 5 1 1 A 70 70 ARG N N 70 120.400 118.310 2.090 1
1 830 . 5 1 1 A 71 71 GLN H H 71 8.200 7.710 0.490 1
1 831 . 5 1 1 A 71 71 GLN HA H 71 4.200 4.261 -0.061 1
1 838 . 5 1 1 A 71 71 GLN C C 71 176.600 176.838 -0.238 1
1 839 . 5 1 1 A 71 71 GLN CA C 71 56.800 57.643 -0.843 1
1 840 . 5 1 1 A 71 71 GLN CB C 71 28.900 28.149 0.751 1
1 842 . 5 1 1 A 71 71 GLN N N 71 119.500 118.217 1.283 1
1 844 . 5 1 1 A 72 72 ARG H H 72 7.990 7.346 0.644 1
1 845 . 5 1 1 A 72 72 ARG HA H 72 4.240 4.253 -0.013 1
1 847 . 5 1 1 A 72 72 ARG C C 72 176.600 177.843 -1.243 1
1 848 . 5 1 1 A 72 72 ARG CA C 72 56.900 57.059 -0.159 1
1 849 . 5 1 1 A 72 72 ARG CB C 72 30.500 30.357 0.143 1
1 852 . 5 1 1 A 72 72 ARG N N 72 120.600 119.112 1.488 1
1 853 . 5 1 1 A 73 73 LEU H H 73 7.980 7.587 0.393 1
1 854 . 5 1 1 A 73 73 LEU HA H 73 4.280 4.276 0.004 1
1 864 . 5 1 1 A 73 73 LEU C C 73 177.100 176.936 0.164 1
1 865 . 5 1 1 A 73 73 LEU CA C 73 55.300 56.295 -0.995 1
1 866 . 5 1 1 A 73 73 LEU CB C 73 42.200 43.558 -1.358 1
1 870 . 5 1 1 A 73 73 LEU N N 73 121.400 117.720 3.680 1
1 871 . 5 1 1 A 74 74 LYS H H 74 8.050 7.757 0.293 1
1 872 . 5 1 1 A 74 74 LYS HA H 74 4.300 4.766 -0.466 1
1 881 . 5 1 1 A 74 74 LYS C C 74 176.100 176.283 -0.183 1
1 882 . 5 1 1 A 74 74 LYS CA C 74 56.000 54.631 1.369 1
1 883 . 5 1 1 A 74 74 LYS CB C 74 33.000 35.396 -2.396 1
1 887 . 5 1 1 A 74 74 LYS N N 74 121.000 117.005 3.995 1
1 888 . 5 1 1 A 75 75 GLU H H 75 8.360 8.765 -0.405 1
1 889 . 5 1 1 A 75 75 GLU HA H 75 4.550 4.316 0.234 1
1 894 . 5 1 1 A 75 75 GLU CA C 75 54.400 54.681 -0.281 1
1 895 . 5 1 1 A 75 75 GLU CB C 75 29.600 29.818 -0.218 1
1 897 . 5 1 1 A 75 75 GLU N N 75 123.800 122.310 1.490 1
1 898 . 5 1 1 A 76 76 PRO HA H 76 4.410 4.401 0.009 1
1 905 . 5 1 1 A 76 76 PRO C C 76 177.000 176.303 0.697 1
1 906 . 5 1 1 A 76 76 PRO CA C 76 63.300 64.612 -1.312 1
1 907 . 5 1 1 A 76 76 PRO CB C 76 32.000 32.351 -0.351 1
1 910 . 5 1 1 A 77 77 GLU H H 77 8.580 8.036 0.544 1
1 911 . 5 1 1 A 77 77 GLU HA H 77 4.220 4.760 -0.540 1
1 916 . 5 1 1 A 77 77 GLU C C 77 176.700 175.357 1.343 1
1 917 . 5 1 1 A 77 77 GLU CA C 77 56.800 54.829 1.971 1
1 918 . 5 1 1 A 77 77 GLU CB C 77 29.900 31.996 -2.096 1
1 920 . 5 1 1 A 77 77 GLU N N 77 120.800 116.917 3.883 1
1 921 . 5 1 1 A 78 78 ARG H H 78 8.330 9.133 -0.803 1
1 922 . 5 1 1 A 78 78 ARG HA H 78 4.270 4.225 0.045 1
1 925 . 5 1 1 A 78 78 ARG C C 78 176.500 175.611 0.889 1
1 926 . 5 1 1 A 78 78 ARG CA C 78 56.700 57.312 -0.612 1
1 927 . 5 1 1 A 78 78 ARG CB C 78 30.600 30.421 0.179 1
1 930 . 5 1 1 A 78 78 ARG N N 78 122.000 122.261 -0.261 1
1 931 . 5 1 1 A 79 79 GLU H H 79 8.020 8.941 -0.921 1
1 932 . 5 1 1 A 79 79 GLU HA H 79 4.230 3.956 0.274 1
1 937 . 5 1 1 A 79 79 GLU C C 79 176.100 176.034 0.066 1
1 938 . 5 1 1 A 79 79 GLU CA C 79 56.500 58.299 -1.799 1
1 939 . 5 1 1 A 79 79 GLU CB C 79 30.200 28.010 2.190 1
1 941 . 5 1 1 A 79 79 GLU N N 79 121.900 119.585 2.315 1
1 942 . 5 1 1 A 80 80 ASN H H 80 8.510 8.114 0.396 1
1 943 . 5 1 1 A 80 80 ASN HA H 80 4.690 4.679 0.011 1
1 948 . 5 1 1 A 80 80 ASN C C 80 175.400 175.069 0.331 1
1 949 . 5 1 1 A 80 80 ASN CA C 80 53.300 54.919 -1.619 1
1 950 . 5 1 1 A 80 80 ASN CB C 80 38.500 39.121 -0.621 1
1 951 . 5 1 1 A 80 80 ASN N N 80 120.000 117.594 2.406 1
1 953 . 5 1 1 A 81 81 ARG H H 81 8.400 7.562 0.838 1
1 954 . 5 1 1 A 81 81 ARG HA H 81 4.250 4.876 -0.626 1
1 961 . 5 1 1 A 81 81 ARG C C 81 175.600 174.992 0.608 1
1 962 . 5 1 1 A 81 81 ARG CA C 81 56.500 54.672 1.828 1
1 963 . 5 1 1 A 81 81 ARG CB C 81 30.800 32.731 -1.931 1
1 966 . 5 1 1 A 81 81 ARG N N 81 121.900 119.615 2.285 1
1 967 . 5 1 1 A 82 82 GLU H H 82 8.410 8.486 -0.076 1
1 968 . 5 1 1 A 82 82 GLU HA H 82 4.240 4.810 -0.570 1
1 973 . 5 1 1 A 82 82 GLU C C 82 176.400 175.657 0.743 1
1 974 . 5 1 1 A 82 82 GLU CA C 82 56.700 54.923 1.777 1
1 975 . 5 1 1 A 82 82 GLU CB C 82 29.900 32.401 -2.501 1
1 977 . 5 1 1 A 82 82 GLU N N 82 120.900 125.488 -4.588 1
1 978 . 5 1 1 A 83 83 LEU H H 83 8.120 8.512 -0.392 1
1 979 . 5 1 1 A 83 83 LEU HA H 83 4.310 4.178 0.132 1
1 988 . 5 1 1 A 83 83 LEU C C 83 177.100 177.121 -0.021 1
1 989 . 5 1 1 A 83 83 LEU CA C 83 55.200 57.273 -2.073 1
1 990 . 5 1 1 A 83 83 LEU CB C 83 42.100 42.767 -0.667 1
1 994 . 5 1 1 A 83 83 LEU N N 83 122.800 122.232 0.568 1
1 995 . 5 1 1 A 84 84 ARG H H 84 8.260 7.505 0.755 1
1 996 . 5 1 1 A 84 84 ARG HA H 84 4.340 4.345 -0.005 1
1 999 . 5 1 1 A 84 84 ARG C C 84 176.000 175.789 0.211 1
1 1000 . 5 1 1 A 84 84 ARG CA C 84 55.900 55.988 -0.088 1
1 1001 . 5 1 1 A 84 84 ARG CB C 84 30.600 31.190 -0.590 1
1 1004 . 5 1 1 A 84 84 ARG N N 84 121.800 117.824 3.976 1
1 1005 . 5 1 1 A 85 85 ARG H H 85 8.390 8.974 -0.584 1
1 1006 . 5 1 1 A 85 85 ARG HA H 85 4.390 3.926 0.464 1
1 1009 . 5 1 1 A 85 85 ARG C C 85 176.100 175.028 1.072 1
1 1010 . 5 1 1 A 85 85 ARG CA C 85 56.000 56.952 -0.952 1
1 1011 . 5 1 1 A 85 85 ARG CB C 85 31.000 28.709 2.291 1
1 1014 . 5 1 1 A 85 85 ARG N N 85 122.800 119.803 2.997 1
1 1015 . 5 1 1 A 86 86 SER H H 86 8.430 7.957 0.473 1
1 1016 . 5 1 1 A 86 86 SER HA H 86 4.470 5.070 -0.600 1
1 1019 . 5 1 1 A 86 86 SER C C 86 173.300 173.027 0.273 1
1 1020 . 5 1 1 A 86 86 SER CA C 86 58.200 56.706 1.494 1
1 1021 . 5 1 1 A 86 86 SER CB C 86 64.000 65.873 -1.873 1
1 1022 . 5 1 1 A 86 86 SER N N 86 117.500 119.240 -1.740 1
1 1023 . 5 1 1 A 87 87 ASN H H 87 8.120 8.814 -0.694 1
1 1024 . 5 1 1 A 87 87 ASN HA H 87 4.470 4.996 -0.526 1
1 1029 . 5 1 1 A 87 87 ASN CA C 87 54.800 52.052 2.748 1
1 1030 . 5 1 1 A 87 87 ASN CB C 87 40.100 39.085 1.015 1
1 1031 . 5 1 1 A 87 87 ASN N N 87 125.900 121.687 4.213 1
1 1033 . 5 1 1 A 88 88 ASP HA H 88 4.640 4.738 -0.098 1
1 1036 . 5 1 1 A 88 88 ASP C C 88 175.700 175.619 0.081 1
1 1037 . 5 1 1 A 88 88 ASP CA C 88 54.500 53.081 1.419 1
1 1038 . 5 1 1 A 88 88 ASP CB C 88 41.100 41.932 -0.832 1
1 1039 . 5 1 1 A 89 89 ILE H H 89 8.000 8.686 -0.686 1
1 1040 . 5 1 1 A 89 89 ILE HA H 89 4.160 3.762 0.398 1
1 1050 . 5 1 1 A 89 89 ILE C C 89 175.200 175.189 0.011 1
1 1051 . 5 1 1 A 89 89 ILE CA C 89 61.100 61.639 -0.539 1
1 1052 . 5 1 1 A 89 89 ILE CB C 89 38.500 36.694 1.806 1
1 1056 . 5 1 1 A 89 89 ILE N N 89 120.400 116.972 3.428 1
1 1057 . 5 1 1 A 90 90 LEU H H 90 7.880 8.144 -0.264 1
1 1058 . 5 1 1 A 90 90 LEU HA H 90 4.190 4.441 -0.251 1
1 1067 . 5 1 1 A 90 90 LEU CA C 90 56.700 54.238 2.462 1
1 1068 . 5 1 1 A 90 90 LEU CB C 90 43.300 42.199 1.101 1
1 1072 . 5 1 1 A 90 90 LEU N N 90 131.900 124.014 7.886 1
1 1073 . 5 1 1 A 93 93 ALA HA H 93 4.370 4.770 -0.400 1
1 1077 . 5 1 1 A 93 93 ALA C C 93 176.600 178.159 -1.559 1
1 1078 . 5 1 1 A 93 93 ALA CA C 93 52.300 51.344 0.956 1
1 1079 . 5 1 1 A 93 93 ALA CB C 93 19.200 19.532 -0.332 1
1 1080 . 5 1 1 A 94 94 SER H H 94 7.910 8.370 -0.460 1
1 1081 . 5 1 1 A 94 94 SER HA H 94 4.250 4.234 0.016 1
1 1084 . 5 1 1 A 94 94 SER CA C 94 59.900 61.826 -1.926 1
1 1085 . 5 1 1 A 94 94 SER CB C 94 64.700 63.368 1.332 1
1 1 . 6 1 1 A 2 2 THR HA H 2 4.360 4.338 0.022 1
1 6 . 6 1 1 A 2 2 THR C C 2 174.300 174.921 -0.621 1
1 7 . 6 1 1 A 2 2 THR CA C 2 61.900 64.642 -2.742 1
1 8 . 6 1 1 A 2 2 THR CB C 2 69.900 69.322 0.578 1
1 10 . 6 1 1 A 3 3 LYS H H 3 8.520 7.499 1.021 1
1 11 . 6 1 1 A 3 3 LYS HA H 3 4.320 4.410 -0.090 1
1 20 . 6 1 1 A 3 3 LYS C C 3 176.100 174.951 1.149 1
1 21 . 6 1 1 A 3 3 LYS CA C 3 56.400 55.419 0.981 1
1 22 . 6 1 1 A 3 3 LYS CB C 3 33.000 32.495 0.505 1
1 26 . 6 1 1 A 3 3 LYS N N 3 124.100 121.159 2.941 1
1 27 . 6 1 1 A 4 4 ASN H H 4 8.560 8.543 0.017 1
1 28 . 6 1 1 A 4 4 ASN HA H 4 4.760 5.270 -0.510 1
1 33 . 6 1 1 A 4 4 ASN C C 4 175.200 174.872 0.328 1
1 34 . 6 1 1 A 4 4 ASN CA C 4 53.300 52.148 1.152 1
1 35 . 6 1 1 A 4 4 ASN CB C 4 38.900 40.918 -2.018 1
1 36 . 6 1 1 A 4 4 ASN N N 4 120.200 126.306 -6.106 1
1 38 . 6 1 1 A 5 5 THR H H 5 8.130 8.986 -0.856 1
1 39 . 6 1 1 A 5 5 THR HA H 5 4.310 4.261 0.049 1
1 44 . 6 1 1 A 5 5 THR C C 5 173.900 175.507 -1.607 1
1 45 . 6 1 1 A 5 5 THR CA C 5 61.800 63.813 -2.013 1
1 46 . 6 1 1 A 5 5 THR CB C 5 69.500 68.017 1.483 1
1 48 . 6 1 1 A 5 5 THR N N 5 114.900 120.791 -5.891 1
1 49 . 6 1 1 A 6 6 ARG H H 6 8.160 8.952 -0.792 1
1 50 . 6 1 1 A 6 6 ARG HA H 6 4.300 5.037 -0.737 1
1 57 . 6 1 1 A 6 6 ARG C C 6 176.300 176.169 0.131 1
1 58 . 6 1 1 A 6 6 ARG CA C 6 56.300 56.214 0.086 1
1 59 . 6 1 1 A 6 6 ARG CB C 6 30.700 32.607 -1.907 1
1 62 . 6 1 1 A 6 6 ARG N N 6 123.600 121.981 1.619 1
1 63 . 6 1 1 A 7 7 PHE H H 7 8.460 8.145 0.315 1
1 64 . 6 1 1 A 7 7 PHE HA H 7 4.760 4.573 0.187 1
1 72 . 6 1 1 A 7 7 PHE C C 7 175.000 174.369 0.631 1
1 73 . 6 1 1 A 7 7 PHE CA C 7 56.700 59.955 -3.255 1
1 74 . 6 1 1 A 7 7 PHE CB C 7 40.300 37.647 2.653 1
1 80 . 6 1 1 A 7 7 PHE N N 7 121.500 116.663 4.837 1
1 81 . 6 1 1 A 8 8 SER H H 8 8.520 8.771 -0.251 1
1 82 . 6 1 1 A 8 8 SER HA H 8 4.600 4.630 -0.030 1
1 85 . 6 1 1 A 8 8 SER CA C 8 56.700 57.353 -0.653 1
1 86 . 6 1 1 A 8 8 SER CB C 8 62.600 62.787 -0.187 1
1 87 . 6 1 1 A 8 8 SER N N 8 121.500 117.024 4.476 1
1 88 . 6 1 1 A 9 9 PRO HA H 9 3.920 4.162 -0.242 1
1 95 . 6 1 1 A 9 9 PRO C C 9 178.500 177.718 0.782 1
1 96 . 6 1 1 A 9 9 PRO CA C 9 65.800 65.639 0.161 1
1 97 . 6 1 1 A 9 9 PRO CB C 9 31.500 31.961 -0.461 1
1 100 . 6 1 1 A 10 10 GLU H H 10 8.610 8.279 0.331 1
1 101 . 6 1 1 A 10 10 GLU HA H 10 3.990 4.043 -0.053 1
1 106 . 6 1 1 A 10 10 GLU C C 10 179.100 179.211 -0.111 1
1 107 . 6 1 1 A 10 10 GLU CA C 10 60.000 59.459 0.541 1
1 108 . 6 1 1 A 10 10 GLU CB C 10 28.800 29.446 -0.646 1
1 110 . 6 1 1 A 10 10 GLU N N 10 116.600 118.110 -1.510 1
1 111 . 6 1 1 A 11 11 VAL H H 11 7.510 7.973 -0.463 1
1 112 . 6 1 1 A 11 11 VAL HA H 11 3.610 3.440 0.170 1
1 120 . 6 1 1 A 11 11 VAL C C 11 177.700 177.949 -0.249 1
1 121 . 6 1 1 A 11 11 VAL CA C 11 66.400 66.381 0.019 1
1 122 . 6 1 1 A 11 11 VAL CB C 11 31.600 31.427 0.173 1
1 125 . 6 1 1 A 11 11 VAL N N 11 122.700 119.638 3.062 1
1 126 . 6 1 1 A 12 12 ARG H H 12 7.800 7.915 -0.115 1
1 127 . 6 1 1 A 12 12 ARG HA H 12 3.440 3.412 0.028 1
1 135 . 6 1 1 A 12 12 ARG C C 12 178.000 178.776 -0.776 1
1 136 . 6 1 1 A 12 12 ARG CA C 12 59.300 59.653 -0.353 1
1 137 . 6 1 1 A 12 12 ARG CB C 12 29.600 29.316 0.284 1
1 140 . 6 1 1 A 12 12 ARG N N 12 118.700 119.803 -1.103 1
1 142 . 6 1 1 A 13 13 GLN H H 13 8.050 8.418 -0.368 1
1 143 . 6 1 1 A 13 13 GLN HA H 13 3.860 4.053 -0.193 1
1 150 . 6 1 1 A 13 13 GLN C C 13 178.800 178.376 0.424 1
1 151 . 6 1 1 A 13 13 GLN CA C 13 58.600 59.139 -0.539 1
1 152 . 6 1 1 A 13 13 GLN CB C 13 28.300 28.430 -0.130 1
1 154 . 6 1 1 A 13 13 GLN N N 13 116.100 118.337 -2.237 1
1 156 . 6 1 1 A 14 14 ARG H H 14 7.750 7.544 0.206 1
1 157 . 6 1 1 A 14 14 ARG HA H 14 3.970 3.955 0.015 1
1 164 . 6 1 1 A 14 14 ARG C C 14 177.900 178.156 -0.256 1
1 165 . 6 1 1 A 14 14 ARG CA C 14 59.100 59.422 -0.322 1
1 166 . 6 1 1 A 14 14 ARG CB C 14 30.000 30.000 0.000 1
1 169 . 6 1 1 A 14 14 ARG N N 14 120.400 120.792 -0.392 1
1 170 . 6 1 1 A 15 15 ALA H H 15 8.500 8.002 0.498 1
1 171 . 6 1 1 A 15 15 ALA HA H 15 4.040 4.044 -0.004 1
1 175 . 6 1 1 A 15 15 ALA C C 15 178.800 179.876 -1.076 1
1 176 . 6 1 1 A 15 15 ALA CA C 15 55.300 55.146 0.154 1
1 177 . 6 1 1 A 15 15 ALA CB C 15 19.700 18.750 0.950 1
1 178 . 6 1 1 A 15 15 ALA N N 15 122.200 121.581 0.619 1
1 179 . 6 1 1 A 16 16 VAL H H 16 8.230 8.083 0.147 1
1 180 . 6 1 1 A 16 16 VAL HA H 16 3.360 3.373 -0.013 1
1 188 . 6 1 1 A 16 16 VAL C C 16 177.700 177.574 0.126 1
1 189 . 6 1 1 A 16 16 VAL CA C 16 67.100 66.809 0.291 1
1 190 . 6 1 1 A 16 16 VAL CB C 16 31.600 31.252 0.348 1
1 193 . 6 1 1 A 16 16 VAL N N 16 116.500 118.089 -1.589 1
1 194 . 6 1 1 A 17 17 ARG H H 17 7.900 7.963 -0.063 1
1 195 . 6 1 1 A 17 17 ARG HA H 17 3.830 3.857 -0.027 1
1 202 . 6 1 1 A 17 17 ARG C C 17 178.000 178.976 -0.976 1
1 203 . 6 1 1 A 17 17 ARG CA C 17 59.700 59.424 0.276 1
1 204 . 6 1 1 A 17 17 ARG CB C 17 29.200 29.474 -0.274 1
1 207 . 6 1 1 A 17 17 ARG N N 17 119.000 119.173 -0.173 1
1 208 . 6 1 1 A 18 18 MET H H 18 8.210 7.746 0.464 1
1 209 . 6 1 1 A 18 18 MET HA H 18 4.090 4.177 -0.087 1
1 217 . 6 1 1 A 18 18 MET C C 18 179.400 178.122 1.278 1
1 218 . 6 1 1 A 18 18 MET CA C 18 59.500 57.952 1.548 1
1 219 . 6 1 1 A 18 18 MET CB C 18 33.600 32.162 1.438 1
1 222 . 6 1 1 A 18 18 MET N N 18 117.300 119.319 -2.019 1
1 223 . 6 1 1 A 19 19 VAL H H 19 7.790 8.189 -0.399 1
1 224 . 6 1 1 A 19 19 VAL HA H 19 3.390 3.585 -0.195 1
1 232 . 6 1 1 A 19 19 VAL C C 19 177.200 178.103 -0.903 1
1 233 . 6 1 1 A 19 19 VAL CA C 19 66.100 66.720 -0.620 1
1 234 . 6 1 1 A 19 19 VAL CB C 19 31.600 31.389 0.211 1
1 237 . 6 1 1 A 19 19 VAL N N 19 119.900 119.695 0.205 1
1 238 . 6 1 1 A 20 20 LEU H H 20 8.280 8.661 -0.381 1
1 239 . 6 1 1 A 20 20 LEU HA H 20 4.070 3.910 0.160 1
1 249 . 6 1 1 A 20 20 LEU C C 20 180.600 179.204 1.396 1
1 250 . 6 1 1 A 20 20 LEU CA C 20 57.900 58.013 -0.113 1
1 251 . 6 1 1 A 20 20 LEU CB C 20 40.800 40.812 -0.012 1
1 255 . 6 1 1 A 20 20 LEU N N 20 118.400 119.885 -1.485 1
1 256 . 6 1 1 A 21 21 GLU H H 21 8.690 8.418 0.272 1
1 257 . 6 1 1 A 21 21 GLU HA H 21 4.230 4.070 0.160 1
1 262 . 6 1 1 A 21 21 GLU C C 21 178.200 178.694 -0.494 1
1 263 . 6 1 1 A 21 21 GLU CA C 21 57.900 59.296 -1.396 1
1 264 . 6 1 1 A 21 21 GLU CB C 21 29.700 29.422 0.278 1
1 266 . 6 1 1 A 21 21 GLU N N 21 115.900 121.545 -5.645 1
1 267 . 6 1 1 A 22 22 SER H H 22 7.580 7.990 -0.410 1
1 268 . 6 1 1 A 22 22 SER HA H 22 4.790 4.393 0.397 1
1 271 . 6 1 1 A 22 22 SER C C 22 175.200 176.428 -1.228 1
1 272 . 6 1 1 A 22 22 SER CA C 22 59.500 60.367 -0.867 1
1 273 . 6 1 1 A 22 22 SER CB C 22 64.500 63.206 1.294 1
1 274 . 6 1 1 A 22 22 SER N N 22 113.000 116.636 -3.636 1
1 275 . 6 1 1 A 23 23 GLN H H 23 7.780 8.191 -0.411 1
1 276 . 6 1 1 A 23 23 GLN HA H 23 4.800 4.032 0.768 1
1 283 . 6 1 1 A 23 23 GLN C C 23 177.100 178.383 -1.283 1
1 284 . 6 1 1 A 23 23 GLN CA C 23 57.800 59.299 -1.499 1
1 285 . 6 1 1 A 23 23 GLN CB C 23 28.100 28.078 0.022 1
1 287 . 6 1 1 A 23 23 GLN N N 23 119.900 122.376 -2.476 1
1 289 . 6 1 1 A 24 24 GLY H H 24 8.680 7.872 0.808 1
1 290 . 6 1 1 A 24 24 GLY HA2 H 24 3.860 3.738 0.122 1
1 291 . 6 1 1 A 24 24 GLY HA3 H 24 4.110 3.744 0.366 1
1 292 . 6 1 1 A 24 24 GLY C C 24 175.100 176.389 -1.289 1
1 293 . 6 1 1 A 24 24 GLY CA C 24 45.900 46.968 -1.068 1
1 294 . 6 1 1 A 24 24 GLY N N 24 108.500 107.488 1.012 1
1 295 . 6 1 1 A 25 25 GLU H H 25 8.110 8.023 0.087 1
1 296 . 6 1 1 A 25 25 GLU HA H 25 4.210 4.027 0.183 1
1 301 . 6 1 1 A 25 25 GLU C C 25 175.400 177.090 -1.690 1
1 302 . 6 1 1 A 25 25 GLU CA C 25 56.100 59.177 -3.077 1
1 303 . 6 1 1 A 25 25 GLU CB C 25 29.700 29.694 0.006 1
1 305 . 6 1 1 A 25 25 GLU N N 25 118.200 120.348 -2.148 1
1 306 . 6 1 1 A 26 26 TYR H H 26 7.690 7.892 -0.202 1
1 307 . 6 1 1 A 26 26 TYR HA H 26 4.690 4.598 0.092 1
1 314 . 6 1 1 A 26 26 TYR C C 26 175.800 176.224 -0.424 1
1 315 . 6 1 1 A 26 26 TYR CA C 26 57.000 58.189 -1.189 1
1 316 . 6 1 1 A 26 26 TYR CB C 26 42.200 40.017 2.183 1
1 321 . 6 1 1 A 26 26 TYR N N 26 117.700 118.408 -0.708 1
1 322 . 6 1 1 A 27 27 ASP H H 27 8.850 9.055 -0.205 1
1 323 . 6 1 1 A 27 27 ASP HA H 27 4.520 4.623 -0.103 1
1 326 . 6 1 1 A 27 27 ASP C C 27 175.900 175.789 0.111 1
1 327 . 6 1 1 A 27 27 ASP CA C 27 55.400 56.345 -0.945 1
1 328 . 6 1 1 A 27 27 ASP CB C 27 41.200 41.221 -0.021 1
1 329 . 6 1 1 A 27 27 ASP N N 27 117.500 122.191 -4.691 1
1 330 . 6 1 1 A 28 28 SER H H 28 7.550 8.105 -0.555 1
1 331 . 6 1 1 A 28 28 SER HA H 28 4.740 4.713 0.027 1
1 334 . 6 1 1 A 28 28 SER CA C 28 57.200 59.152 -1.952 1
1 335 . 6 1 1 A 28 28 SER CB C 28 65.800 64.339 1.461 1
1 336 . 6 1 1 A 28 28 SER N N 28 109.000 112.913 -3.913 1
1 337 . 6 1 1 A 29 29 GLN HA H 29 3.950 3.946 0.004 1
1 344 . 6 1 1 A 29 29 GLN C C 29 178.100 177.381 0.719 1
1 345 . 6 1 1 A 29 29 GLN CA C 29 60.200 59.039 1.161 1
1 346 . 6 1 1 A 29 29 GLN CB C 29 29.900 28.527 1.373 1
1 349 . 6 1 1 A 30 30 TRP H H 30 9.010 8.378 0.632 1
1 350 . 6 1 1 A 30 30 TRP HA H 30 4.720 4.446 0.274 1
1 359 . 6 1 1 A 30 30 TRP C C 30 177.100 178.279 -1.179 1
1 360 . 6 1 1 A 30 30 TRP CA C 30 59.300 59.984 -0.684 1
1 361 . 6 1 1 A 30 30 TRP CB C 30 30.000 27.983 2.017 1
1 367 . 6 1 1 A 30 30 TRP N N 30 121.400 119.100 2.300 1
1 369 . 6 1 1 A 31 31 ALA H H 31 8.360 7.137 1.223 1
1 370 . 6 1 1 A 31 31 ALA HA H 31 3.790 3.282 0.508 1
1 374 . 6 1 1 A 31 31 ALA C C 31 180.300 179.769 0.531 1
1 375 . 6 1 1 A 31 31 ALA CA C 31 55.300 54.390 0.910 1
1 376 . 6 1 1 A 31 31 ALA CB C 31 18.200 17.453 0.747 1
1 377 . 6 1 1 A 31 31 ALA N N 31 121.600 123.424 -1.824 1
1 378 . 6 1 1 A 32 32 THR H H 32 7.420 7.483 -0.063 1
1 379 . 6 1 1 A 32 32 THR HA H 32 2.620 3.641 -1.021 1
1 384 . 6 1 1 A 32 32 THR C C 32 176.700 176.528 0.172 1
1 385 . 6 1 1 A 32 32 THR CA C 32 66.200 66.343 -0.143 1
1 386 . 6 1 1 A 32 32 THR CB C 32 67.800 68.497 -0.697 1
1 388 . 6 1 1 A 32 32 THR N N 32 115.700 113.448 2.252 1
1 389 . 6 1 1 A 33 33 ILE H H 33 8.490 7.814 0.676 1
1 390 . 6 1 1 A 33 33 ILE HA H 33 3.180 3.546 -0.366 1
1 400 . 6 1 1 A 33 33 ILE C C 33 177.300 177.748 -0.448 1
1 401 . 6 1 1 A 33 33 ILE CA C 33 65.900 65.339 0.561 1
1 402 . 6 1 1 A 33 33 ILE CB C 33 37.700 37.998 -0.298 1
1 406 . 6 1 1 A 33 33 ILE N N 33 124.100 120.677 3.423 1
1 407 . 6 1 1 A 34 34 CYS H H 34 8.060 8.138 -0.078 1
1 408 . 6 1 1 A 34 34 CYS HA H 34 3.610 4.348 -0.738 1
1 411 . 6 1 1 A 34 34 CYS C C 34 175.800 175.732 0.068 1
1 412 . 6 1 1 A 34 34 CYS CA C 34 63.800 60.842 2.958 1
1 413 . 6 1 1 A 34 34 CYS CB C 34 26.400 26.871 -0.471 1
1 414 . 6 1 1 A 34 34 CYS N N 34 115.900 118.835 -2.935 1
1 415 . 6 1 1 A 35 35 SER H H 35 7.150 7.745 -0.595 1
1 416 . 6 1 1 A 35 35 SER HA H 35 4.260 4.378 -0.118 1
1 419 . 6 1 1 A 35 35 SER C C 35 175.500 175.448 0.052 1
1 420 . 6 1 1 A 35 35 SER CA C 35 60.200 59.226 0.974 1
1 421 . 6 1 1 A 35 35 SER CB C 35 63.600 63.538 0.062 1
1 422 . 6 1 1 A 35 35 SER N N 35 113.600 115.186 -1.586 1
1 423 . 6 1 1 A 36 36 ILE H H 36 7.650 7.553 0.097 1
1 424 . 6 1 1 A 36 36 ILE HA H 36 3.850 4.101 -0.251 1
1 434 . 6 1 1 A 36 36 ILE C C 36 176.900 177.476 -0.576 1
1 435 . 6 1 1 A 36 36 ILE CA C 36 61.700 63.180 -1.480 1
1 436 . 6 1 1 A 36 36 ILE CB C 36 37.700 38.651 -0.951 1
1 440 . 6 1 1 A 36 36 ILE N N 36 120.700 118.393 2.307 1
1 441 . 6 1 1 A 37 37 ALA H H 37 8.200 8.484 -0.284 1
1 442 . 6 1 1 A 37 37 ALA HA H 37 3.860 3.998 -0.138 1
1 446 . 6 1 1 A 37 37 ALA CA C 37 57.400 57.209 0.191 1
1 447 . 6 1 1 A 37 37 ALA CB C 37 14.900 16.870 -1.970 1
1 448 . 6 1 1 A 37 37 ALA N N 37 122.200 124.617 -2.417 1
1 449 . 6 1 1 A 38 38 PRO HA H 38 4.470 4.387 0.083 1
1 456 . 6 1 1 A 38 38 PRO C C 38 178.800 178.662 0.138 1
1 457 . 6 1 1 A 38 38 PRO CA C 38 65.600 64.843 0.757 1
1 458 . 6 1 1 A 38 38 PRO CB C 38 31.000 31.317 -0.317 1
1 461 . 6 1 1 A 39 39 LYS H H 39 7.680 7.787 -0.107 1
1 462 . 6 1 1 A 39 39 LYS HA H 39 4.150 4.074 0.076 1
1 471 . 6 1 1 A 39 39 LYS C C 39 177.800 179.171 -1.371 1
1 472 . 6 1 1 A 39 39 LYS CA C 39 58.000 59.274 -1.274 1
1 473 . 6 1 1 A 39 39 LYS CB C 39 31.800 32.094 -0.294 1
1 477 . 6 1 1 A 39 39 LYS N N 39 115.500 118.254 -2.754 1
1 478 . 6 1 1 A 40 40 ILE H H 40 7.540 7.452 0.088 1
1 479 . 6 1 1 A 40 40 ILE HA H 40 4.130 3.936 0.194 1
1 489 . 6 1 1 A 40 40 ILE C C 40 176.500 176.167 0.333 1
1 490 . 6 1 1 A 40 40 ILE CA C 40 59.600 63.258 -3.658 1
1 491 . 6 1 1 A 40 40 ILE CB C 40 37.300 38.544 -1.244 1
1 495 . 6 1 1 A 40 40 ILE N N 40 117.500 117.401 0.099 1
1 496 . 6 1 1 A 41 41 GLY H H 41 8.430 7.988 0.442 1
1 497 . 6 1 1 A 41 41 GLY HA2 H 41 4.550 4.052 0.498 1
1 498 . 6 1 1 A 41 41 GLY HA3 H 41 3.790 4.054 -0.264 1
1 499 . 6 1 1 A 41 41 GLY C C 41 173.900 173.582 0.318 1
1 500 . 6 1 1 A 41 41 GLY CA C 41 44.900 45.370 -0.470 1
1 501 . 6 1 1 A 41 41 GLY N N 41 105.100 108.394 -3.294 1
1 502 . 6 1 1 A 42 42 CYS H H 42 7.360 7.704 -0.344 1
1 503 . 6 1 1 A 42 42 CYS HA H 42 5.220 4.986 0.234 1
1 506 . 6 1 1 A 42 42 CYS C C 42 173.100 173.211 -0.111 1
1 507 . 6 1 1 A 42 42 CYS CA C 42 53.300 57.225 -3.925 1
1 508 . 6 1 1 A 42 42 CYS CB C 42 31.700 31.387 0.313 1
1 509 . 6 1 1 A 42 42 CYS N N 42 115.400 115.617 -0.217 1
1 510 . 6 1 1 A 43 43 THR H H 43 8.550 8.434 0.116 1
1 511 . 6 1 1 A 43 43 THR HA H 43 4.560 4.881 -0.321 1
1 516 . 6 1 1 A 43 43 THR CA C 43 59.800 59.970 -0.170 1
1 517 . 6 1 1 A 43 43 THR CB C 43 68.500 69.051 -0.551 1
1 519 . 6 1 1 A 43 43 THR N N 43 111.500 113.505 -2.005 1
1 520 . 6 1 1 A 44 44 PRO HA H 44 3.680 4.173 -0.493 1
1 527 . 6 1 1 A 44 44 PRO C C 44 177.300 177.862 -0.562 1
1 528 . 6 1 1 A 44 44 PRO CA C 44 65.200 65.613 -0.413 1
1 529 . 6 1 1 A 44 44 PRO CB C 44 32.400 31.758 0.642 1
1 532 . 6 1 1 A 45 45 GLU H H 45 8.900 8.050 0.850 1
1 533 . 6 1 1 A 45 45 GLU HA H 45 3.990 4.035 -0.045 1
1 538 . 6 1 1 A 45 45 GLU C C 45 179.000 178.860 0.140 1
1 539 . 6 1 1 A 45 45 GLU CA C 45 61.300 59.696 1.604 1
1 540 . 6 1 1 A 45 45 GLU CB C 45 28.200 29.545 -1.345 1
1 542 . 6 1 1 A 45 45 GLU N N 45 117.100 118.271 -1.171 1
1 543 . 6 1 1 A 46 46 THR H H 46 7.680 8.040 -0.360 1
1 544 . 6 1 1 A 46 46 THR HA H 46 3.560 3.635 -0.075 1
1 549 . 6 1 1 A 46 46 THR C C 46 173.800 175.883 -2.083 1
1 550 . 6 1 1 A 46 46 THR CA C 46 66.300 66.758 -0.458 1
1 551 . 6 1 1 A 46 46 THR CB C 46 68.000 67.894 0.106 1
1 553 . 6 1 1 A 46 46 THR N N 46 118.800 115.850 2.950 1
1 554 . 6 1 1 A 47 47 LEU H H 47 7.040 7.982 -0.942 1
1 555 . 6 1 1 A 47 47 LEU HA H 47 3.170 3.845 -0.675 1
1 565 . 6 1 1 A 47 47 LEU C C 47 177.500 178.823 -1.323 1
1 566 . 6 1 1 A 47 47 LEU CA C 47 56.800 57.715 -0.915 1
1 567 . 6 1 1 A 47 47 LEU CB C 47 40.500 41.701 -1.201 1
1 571 . 6 1 1 A 47 47 LEU N N 47 120.600 120.993 -0.393 1
1 572 . 6 1 1 A 48 48 ARG H H 48 8.430 7.997 0.433 1
1 573 . 6 1 1 A 48 48 ARG HA H 48 3.880 4.027 -0.147 1
1 580 . 6 1 1 A 48 48 ARG C C 48 177.400 178.405 -1.005 1
1 581 . 6 1 1 A 48 48 ARG CA C 48 60.200 59.600 0.600 1
1 582 . 6 1 1 A 48 48 ARG CB C 48 30.500 29.843 0.657 1
1 585 . 6 1 1 A 48 48 ARG N N 48 118.200 119.686 -1.486 1
1 586 . 6 1 1 A 49 49 VAL H H 49 7.400 7.944 -0.544 1
1 587 . 6 1 1 A 49 49 VAL HA H 49 3.630 3.661 -0.031 1
1 595 . 6 1 1 A 49 49 VAL C C 49 178.900 178.314 0.586 1
1 596 . 6 1 1 A 49 49 VAL CA C 49 67.200 66.400 0.800 1
1 597 . 6 1 1 A 49 49 VAL CB C 49 30.700 31.507 -0.807 1
1 600 . 6 1 1 A 49 49 VAL N N 49 120.300 120.033 0.267 1
1 601 . 6 1 1 A 50 50 TRP H H 50 7.850 7.835 0.015 1
1 602 . 6 1 1 A 50 50 TRP HA H 50 4.740 4.483 0.257 1
1 611 . 6 1 1 A 50 50 TRP C C 50 180.400 178.973 1.427 1
1 612 . 6 1 1 A 50 50 TRP CA C 50 57.800 60.083 -2.283 1
1 613 . 6 1 1 A 50 50 TRP CB C 50 28.700 29.367 -0.667 1
1 619 . 6 1 1 A 50 50 TRP N N 50 120.300 119.889 0.411 1
1 621 . 6 1 1 A 51 51 VAL H H 51 8.820 8.410 0.410 1
1 622 . 6 1 1 A 51 51 VAL HA H 51 3.690 3.698 -0.008 1
1 630 . 6 1 1 A 51 51 VAL C C 51 177.700 178.281 -0.581 1
1 631 . 6 1 1 A 51 51 VAL CA C 51 66.800 66.791 0.009 1
1 632 . 6 1 1 A 51 51 VAL CB C 51 32.000 31.422 0.578 1
1 635 . 6 1 1 A 51 51 VAL N N 51 121.300 119.968 1.332 1
1 636 . 6 1 1 A 52 52 ARG H H 52 8.740 8.371 0.369 1
1 637 . 6 1 1 A 52 52 ARG HA H 52 4.260 3.979 0.281 1
1 644 . 6 1 1 A 52 52 ARG C C 52 179.500 178.301 1.199 1
1 645 . 6 1 1 A 52 52 ARG CA C 52 58.900 59.694 -0.794 1
1 646 . 6 1 1 A 52 52 ARG CB C 52 29.900 29.618 0.282 1
1 649 . 6 1 1 A 52 52 ARG N N 52 120.200 119.983 0.217 1
1 650 . 6 1 1 A 53 53 GLN H H 53 8.540 8.315 0.225 1
1 651 . 6 1 1 A 53 53 GLN HA H 53 4.050 4.150 -0.100 1
1 658 . 6 1 1 A 53 53 GLN C C 53 177.600 178.638 -1.038 1
1 659 . 6 1 1 A 53 53 GLN CA C 53 58.700 58.746 -0.046 1
1 660 . 6 1 1 A 53 53 GLN CB C 53 28.100 28.455 -0.355 1
1 662 . 6 1 1 A 53 53 GLN N N 53 119.100 118.879 0.221 1
1 664 . 6 1 1 A 54 54 HIS H H 54 8.010 8.549 -0.539 1
1 665 . 6 1 1 A 54 54 HIS HA H 54 4.410 4.291 0.119 1
1 668 . 6 1 1 A 54 54 HIS C C 54 177.800 177.547 0.253 1
1 669 . 6 1 1 A 54 54 HIS CA C 54 59.700 59.865 -0.165 1
1 670 . 6 1 1 A 54 54 HIS CB C 54 30.600 29.636 0.964 1
1 671 . 6 1 1 A 54 54 HIS N N 54 119.300 119.780 -0.480 1
1 672 . 6 1 1 A 55 55 GLU H H 55 8.460 8.077 0.383 1
1 673 . 6 1 1 A 55 55 GLU HA H 55 3.940 3.827 0.113 1
1 678 . 6 1 1 A 55 55 GLU C C 55 178.400 179.619 -1.219 1
1 679 . 6 1 1 A 55 55 GLU CA C 55 58.800 60.094 -1.294 1
1 680 . 6 1 1 A 55 55 GLU CB C 55 29.800 29.264 0.536 1
1 682 . 6 1 1 A 55 55 GLU N N 55 119.700 118.027 1.673 1
1 683 . 6 1 1 A 56 56 ARG H H 56 7.990 8.010 -0.020 1
1 684 . 6 1 1 A 56 56 ARG HA H 56 4.160 4.074 0.086 1
1 691 . 6 1 1 A 56 56 ARG C C 56 177.800 177.932 -0.132 1
1 692 . 6 1 1 A 56 56 ARG CA C 56 58.100 58.891 -0.791 1
1 693 . 6 1 1 A 56 56 ARG CB C 56 30.100 30.024 0.076 1
1 696 . 6 1 1 A 56 56 ARG N N 56 119.200 120.779 -1.579 1
1 697 . 6 1 1 A 57 57 ASP H H 57 8.300 8.080 0.220 1
1 698 . 6 1 1 A 57 57 ASP HA H 57 4.550 4.667 -0.117 1
1 701 . 6 1 1 A 57 57 ASP C C 57 177.400 177.460 -0.060 1
1 702 . 6 1 1 A 57 57 ASP CA C 57 55.800 55.669 0.131 1
1 703 . 6 1 1 A 57 57 ASP CB C 57 40.800 41.572 -0.772 1
1 704 . 6 1 1 A 57 57 ASP N N 57 120.000 116.731 3.269 1
1 705 . 6 1 1 A 58 58 THR H H 58 7.890 7.728 0.162 1
1 706 . 6 1 1 A 58 58 THR HA H 58 4.310 4.446 -0.136 1
1 711 . 6 1 1 A 58 58 THR C C 58 175.500 175.020 0.480 1
1 712 . 6 1 1 A 58 58 THR CA C 58 62.200 62.019 0.181 1
1 713 . 6 1 1 A 58 58 THR CB C 58 69.800 69.428 0.372 1
1 715 . 6 1 1 A 58 58 THR N N 58 111.300 109.762 1.538 1
1 716 . 6 1 1 A 59 59 GLY H H 59 8.070 7.900 0.170 1
1 717 . 6 1 1 A 59 59 GLY HA2 H 59 4.010 3.774 0.236 1
1 718 . 6 1 1 A 59 59 GLY HA3 H 59 4.010 3.774 0.236 1
1 719 . 6 1 1 A 59 59 GLY C C 59 174.700 173.973 0.727 1
1 720 . 6 1 1 A 59 59 GLY CA C 59 45.600 46.460 -0.860 1
1 721 . 6 1 1 A 59 59 GLY N N 59 110.600 108.797 1.803 1
1 722 . 6 1 1 A 60 60 GLY H H 60 8.260 8.400 -0.140 1
1 723 . 6 1 1 A 60 60 GLY HA2 H 60 3.990 4.146 -0.156 1
1 724 . 6 1 1 A 60 60 GLY HA3 H 60 3.990 4.150 -0.160 1
1 725 . 6 1 1 A 60 60 GLY C C 60 173.900 174.115 -0.215 1
1 726 . 6 1 1 A 60 60 GLY CA C 60 45.100 45.698 -0.598 1
1 727 . 6 1 1 A 60 60 GLY N N 60 108.700 111.973 -3.273 1
1 728 . 6 1 1 A 61 61 ASP H H 61 8.320 9.012 -0.692 1
1 729 . 6 1 1 A 61 61 ASP HA H 61 4.650 4.593 0.057 1
1 732 . 6 1 1 A 61 61 ASP C C 61 176.200 176.568 -0.368 1
1 733 . 6 1 1 A 61 61 ASP CA C 61 54.200 56.446 -2.246 1
1 734 . 6 1 1 A 61 61 ASP CB C 61 41.300 41.541 -0.241 1
1 735 . 6 1 1 A 61 61 ASP N N 61 120.500 124.071 -3.571 1
1 736 . 6 1 1 A 62 62 ASP H H 62 8.400 8.416 -0.016 1
1 737 . 6 1 1 A 62 62 ASP HA H 62 4.600 4.533 0.067 1
1 740 . 6 1 1 A 62 62 ASP C C 62 177.100 175.785 1.315 1
1 741 . 6 1 1 A 62 62 ASP CA C 62 54.200 56.028 -1.828 1
1 742 . 6 1 1 A 62 62 ASP CB C 62 41.100 40.798 0.302 1
1 743 . 6 1 1 A 62 62 ASP N N 62 121.100 119.186 1.914 1
1 744 . 6 1 1 A 63 63 GLY H H 63 8.500 7.753 0.747 1
1 745 . 6 1 1 A 63 63 GLY HA2 H 63 3.950 4.064 -0.114 1
1 746 . 6 1 1 A 63 63 GLY HA3 H 63 3.950 4.064 -0.114 1
1 747 . 6 1 1 A 63 63 GLY C C 63 175.000 175.128 -0.128 1
1 748 . 6 1 1 A 63 63 GLY CA C 63 45.700 45.478 0.222 1
1 749 . 6 1 1 A 63 63 GLY N N 63 109.400 106.417 2.983 1
1 750 . 6 1 1 A 64 64 GLY H H 64 8.360 8.680 -0.320 1
1 751 . 6 1 1 A 64 64 GLY HA2 H 64 3.950 3.881 0.069 1
1 752 . 6 1 1 A 64 64 GLY HA3 H 64 3.950 3.881 0.069 1
1 753 . 6 1 1 A 64 64 GLY C C 64 174.300 174.265 0.035 1
1 754 . 6 1 1 A 64 64 GLY CA C 64 45.300 46.689 -1.389 1
1 755 . 6 1 1 A 64 64 GLY N N 64 108.700 105.980 2.720 1
1 756 . 6 1 1 A 65 65 LEU H H 65 8.020 8.228 -0.208 1
1 757 . 6 1 1 A 65 65 LEU HA H 65 4.460 4.241 0.219 1
1 767 . 6 1 1 A 65 65 LEU C C 65 178.000 176.311 1.689 1
1 768 . 6 1 1 A 65 65 LEU CA C 65 55.200 55.022 0.178 1
1 769 . 6 1 1 A 65 65 LEU CB C 65 42.700 40.796 1.904 1
1 773 . 6 1 1 A 65 65 LEU N N 65 121.300 122.531 -1.231 1
1 774 . 6 1 1 A 66 66 THR H H 66 8.470 8.200 0.270 1
1 775 . 6 1 1 A 66 66 THR HA H 66 4.440 4.780 -0.340 1
1 780 . 6 1 1 A 66 66 THR C C 66 175.200 172.625 2.575 1
1 781 . 6 1 1 A 66 66 THR CA C 66 61.600 60.972 0.628 1
1 782 . 6 1 1 A 66 66 THR CB C 66 70.200 69.783 0.417 1
1 784 . 6 1 1 A 66 66 THR N N 66 114.300 118.607 -4.307 1
1 785 . 6 1 1 A 67 67 THR H H 67 8.370 8.653 -0.283 1
1 786 . 6 1 1 A 67 67 THR HA H 67 4.110 4.546 -0.436 1
1 791 . 6 1 1 A 67 67 THR C C 67 175.300 173.189 2.111 1
1 792 . 6 1 1 A 67 67 THR CA C 67 63.900 62.052 1.848 1
1 793 . 6 1 1 A 67 67 THR CB C 67 69.100 67.284 1.816 1
1 795 . 6 1 1 A 67 67 THR N N 67 116.600 119.302 -2.702 1
1 796 . 6 1 1 A 68 68 ALA H H 68 8.340 8.114 0.226 1
1 797 . 6 1 1 A 68 68 ALA HA H 68 4.220 4.437 -0.217 1
1 801 . 6 1 1 A 68 68 ALA C C 68 179.100 175.647 3.453 1
1 802 . 6 1 1 A 68 68 ALA CA C 68 53.800 51.073 2.727 1
1 803 . 6 1 1 A 68 68 ALA CB C 68 18.700 21.763 -3.063 1
1 804 . 6 1 1 A 68 68 ALA N N 68 124.500 128.175 -3.675 1
1 805 . 6 1 1 A 69 69 GLU H H 69 8.090 8.754 -0.664 1
1 806 . 6 1 1 A 69 69 GLU HA H 69 4.140 3.845 0.295 1
1 811 . 6 1 1 A 69 69 GLU C C 69 177.800 176.690 1.110 1
1 812 . 6 1 1 A 69 69 GLU CA C 69 57.700 57.571 0.129 1
1 813 . 6 1 1 A 69 69 GLU CB C 69 30.100 27.315 2.785 1
1 815 . 6 1 1 A 69 69 GLU N N 69 119.000 114.433 4.567 1
1 816 . 6 1 1 A 70 70 ARG H H 70 8.300 8.255 0.045 1
1 817 . 6 1 1 A 70 70 ARG HA H 70 4.140 4.289 -0.149 1
1 824 . 6 1 1 A 70 70 ARG C C 70 177.400 175.774 1.626 1
1 825 . 6 1 1 A 70 70 ARG CA C 70 57.500 56.077 1.423 1
1 826 . 6 1 1 A 70 70 ARG CB C 70 30.300 29.932 0.368 1
1 829 . 6 1 1 A 70 70 ARG N N 70 120.400 115.917 4.483 1
1 830 . 6 1 1 A 71 71 GLN H H 71 8.200 7.680 0.520 1
1 831 . 6 1 1 A 71 71 GLN HA H 71 4.200 4.499 -0.299 1
1 838 . 6 1 1 A 71 71 GLN C C 71 176.600 174.618 1.982 1
1 839 . 6 1 1 A 71 71 GLN CA C 71 56.800 55.324 1.476 1
1 840 . 6 1 1 A 71 71 GLN CB C 71 28.900 27.216 1.684 1
1 842 . 6 1 1 A 71 71 GLN N N 71 119.500 119.984 -0.484 1
1 844 . 6 1 1 A 72 72 ARG H H 72 7.990 7.870 0.120 1
1 845 . 6 1 1 A 72 72 ARG HA H 72 4.240 4.807 -0.567 1
1 847 . 6 1 1 A 72 72 ARG C C 72 176.600 176.279 0.321 1
1 848 . 6 1 1 A 72 72 ARG CA C 72 56.900 54.779 2.121 1
1 849 . 6 1 1 A 72 72 ARG CB C 72 30.500 32.479 -1.979 1
1 852 . 6 1 1 A 72 72 ARG N N 72 120.600 122.874 -2.274 1
1 853 . 6 1 1 A 73 73 LEU H H 73 7.980 8.709 -0.729 1
1 854 . 6 1 1 A 73 73 LEU HA H 73 4.280 4.234 0.046 1
1 864 . 6 1 1 A 73 73 LEU C C 73 177.100 177.398 -0.298 1
1 865 . 6 1 1 A 73 73 LEU CA C 73 55.300 55.657 -0.357 1
1 866 . 6 1 1 A 73 73 LEU CB C 73 42.200 41.563 0.637 1
1 870 . 6 1 1 A 73 73 LEU N N 73 121.400 123.944 -2.544 1
1 871 . 6 1 1 A 74 74 LYS H H 74 8.050 7.604 0.446 1
1 872 . 6 1 1 A 74 74 LYS HA H 74 4.300 4.449 -0.149 1
1 881 . 6 1 1 A 74 74 LYS C C 74 176.100 175.664 0.436 1
1 882 . 6 1 1 A 74 74 LYS CA C 74 56.000 55.206 0.794 1
1 883 . 6 1 1 A 74 74 LYS CB C 74 33.000 32.105 0.895 1
1 887 . 6 1 1 A 74 74 LYS N N 74 121.000 119.620 1.380 1
1 888 . 6 1 1 A 75 75 GLU H H 75 8.360 7.486 0.874 1
1 889 . 6 1 1 A 75 75 GLU HA H 75 4.550 4.734 -0.184 1
1 894 . 6 1 1 A 75 75 GLU CA C 75 54.400 54.874 -0.474 1
1 895 . 6 1 1 A 75 75 GLU CB C 75 29.600 29.874 -0.274 1
1 897 . 6 1 1 A 75 75 GLU N N 75 123.800 119.124 4.676 1
1 898 . 6 1 1 A 76 76 PRO HA H 76 4.410 4.393 0.017 1
1 905 . 6 1 1 A 76 76 PRO C C 76 177.000 175.776 1.224 1
1 906 . 6 1 1 A 76 76 PRO CA C 76 63.300 63.567 -0.267 1
1 907 . 6 1 1 A 76 76 PRO CB C 76 32.000 31.990 0.010 1
1 910 . 6 1 1 A 77 77 GLU H H 77 8.580 9.502 -0.922 1
1 911 . 6 1 1 A 77 77 GLU HA H 77 4.220 4.577 -0.357 1
1 916 . 6 1 1 A 77 77 GLU C C 77 176.700 177.209 -0.509 1
1 917 . 6 1 1 A 77 77 GLU CA C 77 56.800 57.718 -0.918 1
1 918 . 6 1 1 A 77 77 GLU CB C 77 29.900 32.453 -2.553 1
1 920 . 6 1 1 A 77 77 GLU N N 77 120.800 122.582 -1.782 1
1 921 . 6 1 1 A 78 78 ARG H H 78 8.330 8.013 0.317 1
1 922 . 6 1 1 A 78 78 ARG HA H 78 4.270 4.349 -0.079 1
1 925 . 6 1 1 A 78 78 ARG C C 78 176.500 176.273 0.227 1
1 926 . 6 1 1 A 78 78 ARG CA C 78 56.700 57.233 -0.533 1
1 927 . 6 1 1 A 78 78 ARG CB C 78 30.600 30.882 -0.282 1
1 930 . 6 1 1 A 78 78 ARG N N 78 122.000 117.876 4.124 1
1 931 . 6 1 1 A 79 79 GLU H H 79 8.020 7.549 0.471 1
1 932 . 6 1 1 A 79 79 GLU HA H 79 4.230 4.599 -0.369 1
1 937 . 6 1 1 A 79 79 GLU C C 79 176.100 176.221 -0.121 1
1 938 . 6 1 1 A 79 79 GLU CA C 79 56.500 55.275 1.225 1
1 939 . 6 1 1 A 79 79 GLU CB C 79 30.200 27.616 2.584 1
1 941 . 6 1 1 A 79 79 GLU N N 79 121.900 119.121 2.779 1
1 942 . 6 1 1 A 80 80 ASN H H 80 8.510 8.640 -0.130 1
1 943 . 6 1 1 A 80 80 ASN HA H 80 4.690 4.580 0.110 1
1 948 . 6 1 1 A 80 80 ASN C C 80 175.400 177.428 -2.028 1
1 949 . 6 1 1 A 80 80 ASN CA C 80 53.300 55.519 -2.219 1
1 950 . 6 1 1 A 80 80 ASN CB C 80 38.500 39.137 -0.637 1
1 951 . 6 1 1 A 80 80 ASN N N 80 120.000 122.964 -2.964 1
1 953 . 6 1 1 A 81 81 ARG H H 81 8.400 7.747 0.653 1
1 954 . 6 1 1 A 81 81 ARG HA H 81 4.250 4.330 -0.080 1
1 961 . 6 1 1 A 81 81 ARG C C 81 175.600 176.684 -1.084 1
1 962 . 6 1 1 A 81 81 ARG CA C 81 56.500 56.788 -0.288 1
1 963 . 6 1 1 A 81 81 ARG CB C 81 30.800 30.745 0.055 1
1 966 . 6 1 1 A 81 81 ARG N N 81 121.900 118.748 3.152 1
1 967 . 6 1 1 A 82 82 GLU H H 82 8.410 7.883 0.527 1
1 968 . 6 1 1 A 82 82 GLU HA H 82 4.240 4.317 -0.077 1
1 973 . 6 1 1 A 82 82 GLU C C 82 176.400 176.297 0.103 1
1 974 . 6 1 1 A 82 82 GLU CA C 82 56.700 56.138 0.562 1
1 975 . 6 1 1 A 82 82 GLU CB C 82 29.900 29.492 0.408 1
1 977 . 6 1 1 A 82 82 GLU N N 82 120.900 120.771 0.129 1
1 978 . 6 1 1 A 83 83 LEU H H 83 8.120 8.854 -0.734 1
1 979 . 6 1 1 A 83 83 LEU HA H 83 4.310 4.564 -0.254 1
1 988 . 6 1 1 A 83 83 LEU C C 83 177.100 176.798 0.302 1
1 989 . 6 1 1 A 83 83 LEU CA C 83 55.200 55.369 -0.169 1
1 990 . 6 1 1 A 83 83 LEU CB C 83 42.100 45.083 -2.983 1
1 994 . 6 1 1 A 83 83 LEU N N 83 122.800 130.002 -7.202 1
1 995 . 6 1 1 A 84 84 ARG H H 84 8.260 8.064 0.196 1
1 996 . 6 1 1 A 84 84 ARG HA H 84 4.340 3.851 0.489 1
1 999 . 6 1 1 A 84 84 ARG C C 84 176.000 175.806 0.194 1
1 1000 . 6 1 1 A 84 84 ARG CA C 84 55.900 58.566 -2.666 1
1 1001 . 6 1 1 A 84 84 ARG CB C 84 30.600 28.745 1.855 1
1 1004 . 6 1 1 A 84 84 ARG N N 84 121.800 118.027 3.773 1
1 1005 . 6 1 1 A 85 85 ARG H H 85 8.390 8.189 0.201 1
1 1006 . 6 1 1 A 85 85 ARG HA H 85 4.390 4.152 0.238 1
1 1009 . 6 1 1 A 85 85 ARG C C 85 176.100 174.866 1.234 1
1 1010 . 6 1 1 A 85 85 ARG CA C 85 56.000 58.336 -2.336 1
1 1011 . 6 1 1 A 85 85 ARG CB C 85 31.000 29.061 1.939 1
1 1014 . 6 1 1 A 85 85 ARG N N 85 122.800 117.709 5.091 1
1 1015 . 6 1 1 A 86 86 SER H H 86 8.430 8.776 -0.346 1
1 1016 . 6 1 1 A 86 86 SER HA H 86 4.470 5.117 -0.647 1
1 1019 . 6 1 1 A 86 86 SER C C 86 173.300 173.071 0.229 1
1 1020 . 6 1 1 A 86 86 SER CA C 86 58.200 58.190 0.010 1
1 1021 . 6 1 1 A 86 86 SER CB C 86 64.000 63.192 0.808 1
1 1022 . 6 1 1 A 86 86 SER N N 86 117.500 118.549 -1.049 1
1 1023 . 6 1 1 A 87 87 ASN H H 87 8.120 8.699 -0.579 1
1 1024 . 6 1 1 A 87 87 ASN HA H 87 4.470 5.105 -0.635 1
1 1029 . 6 1 1 A 87 87 ASN CA C 87 54.800 52.355 2.445 1
1 1030 . 6 1 1 A 87 87 ASN CB C 87 40.100 41.802 -1.702 1
1 1031 . 6 1 1 A 87 87 ASN N N 87 125.900 121.348 4.552 1
1 1033 . 6 1 1 A 88 88 ASP HA H 88 4.640 4.967 -0.327 1
1 1036 . 6 1 1 A 88 88 ASP C C 88 175.700 174.894 0.806 1
1 1037 . 6 1 1 A 88 88 ASP CA C 88 54.500 53.527 0.973 1
1 1038 . 6 1 1 A 88 88 ASP CB C 88 41.100 40.971 0.129 1
1 1039 . 6 1 1 A 89 89 ILE H H 89 8.000 8.902 -0.902 1
1 1040 . 6 1 1 A 89 89 ILE HA H 89 4.160 4.606 -0.446 1
1 1050 . 6 1 1 A 89 89 ILE C C 89 175.200 174.898 0.302 1
1 1051 . 6 1 1 A 89 89 ILE CA C 89 61.100 60.586 0.514 1
1 1052 . 6 1 1 A 89 89 ILE CB C 89 38.500 39.089 -0.589 1
1 1056 . 6 1 1 A 89 89 ILE N N 89 120.400 126.241 -5.841 1
1 1057 . 6 1 1 A 90 90 LEU H H 90 7.880 8.824 -0.944 1
1 1058 . 6 1 1 A 90 90 LEU HA H 90 4.190 4.733 -0.543 1
1 1067 . 6 1 1 A 90 90 LEU CA C 90 56.700 53.781 2.919 1
1 1068 . 6 1 1 A 90 90 LEU CB C 90 43.300 43.347 -0.047 1
1 1072 . 6 1 1 A 90 90 LEU N N 90 131.900 131.586 0.314 1
1 1073 . 6 1 1 A 93 93 ALA HA H 93 4.370 4.716 -0.346 1
1 1077 . 6 1 1 A 93 93 ALA C C 93 176.600 178.199 -1.599 1
1 1078 . 6 1 1 A 93 93 ALA CA C 93 52.300 51.517 0.783 1
1 1079 . 6 1 1 A 93 93 ALA CB C 93 19.200 19.831 -0.631 1
1 1080 . 6 1 1 A 94 94 SER H H 94 7.910 8.135 -0.225 1
1 1081 . 6 1 1 A 94 94 SER HA H 94 4.250 4.137 0.113 1
1 1084 . 6 1 1 A 94 94 SER CA C 94 59.900 62.027 -2.127 1
1 1085 . 6 1 1 A 94 94 SER CB C 94 64.700 62.959 1.741 1
1 1 . 7 1 1 A 2 2 THR HA H 2 4.360 4.174 0.186 1
1 6 . 7 1 1 A 2 2 THR C C 2 174.300 174.360 -0.060 1
1 7 . 7 1 1 A 2 2 THR CA C 2 61.900 64.373 -2.473 1
1 8 . 7 1 1 A 2 2 THR CB C 2 69.900 68.647 1.253 1
1 10 . 7 1 1 A 3 3 LYS H H 3 8.520 8.752 -0.232 1
1 11 . 7 1 1 A 3 3 LYS HA H 3 4.320 4.748 -0.428 1
1 20 . 7 1 1 A 3 3 LYS C C 3 176.100 176.346 -0.246 1
1 21 . 7 1 1 A 3 3 LYS CA C 3 56.400 54.573 1.827 1
1 22 . 7 1 1 A 3 3 LYS CB C 3 33.000 34.904 -1.904 1
1 26 . 7 1 1 A 3 3 LYS N N 3 124.100 125.905 -1.805 1
1 27 . 7 1 1 A 4 4 ASN H H 4 8.560 8.712 -0.152 1
1 28 . 7 1 1 A 4 4 ASN HA H 4 4.760 4.844 -0.084 1
1 33 . 7 1 1 A 4 4 ASN C C 4 175.200 174.237 0.963 1
1 34 . 7 1 1 A 4 4 ASN CA C 4 53.300 52.553 0.747 1
1 35 . 7 1 1 A 4 4 ASN CB C 4 38.900 37.062 1.838 1
1 36 . 7 1 1 A 4 4 ASN N N 4 120.200 119.028 1.172 1
1 38 . 7 1 1 A 5 5 THR H H 5 8.130 7.291 0.839 1
1 39 . 7 1 1 A 5 5 THR HA H 5 4.310 4.079 0.231 1
1 44 . 7 1 1 A 5 5 THR C C 5 173.900 174.206 -0.306 1
1 45 . 7 1 1 A 5 5 THR CA C 5 61.800 63.377 -1.577 1
1 46 . 7 1 1 A 5 5 THR CB C 5 69.500 69.314 0.186 1
1 48 . 7 1 1 A 5 5 THR N N 5 114.900 117.293 -2.393 1
1 49 . 7 1 1 A 6 6 ARG H H 6 8.160 8.328 -0.168 1
1 50 . 7 1 1 A 6 6 ARG HA H 6 4.300 4.124 0.176 1
1 57 . 7 1 1 A 6 6 ARG C C 6 176.300 175.695 0.605 1
1 58 . 7 1 1 A 6 6 ARG CA C 6 56.300 56.072 0.228 1
1 59 . 7 1 1 A 6 6 ARG CB C 6 30.700 30.212 0.488 1
1 62 . 7 1 1 A 6 6 ARG N N 6 123.600 125.180 -1.580 1
1 63 . 7 1 1 A 7 7 PHE H H 7 8.460 8.864 -0.404 1
1 64 . 7 1 1 A 7 7 PHE HA H 7 4.760 4.993 -0.233 1
1 72 . 7 1 1 A 7 7 PHE C C 7 175.000 175.829 -0.829 1
1 73 . 7 1 1 A 7 7 PHE CA C 7 56.700 57.417 -0.717 1
1 74 . 7 1 1 A 7 7 PHE CB C 7 40.300 40.589 -0.289 1
1 80 . 7 1 1 A 7 7 PHE N N 7 121.500 122.031 -0.531 1
1 81 . 7 1 1 A 8 8 SER H H 8 8.520 8.870 -0.350 1
1 82 . 7 1 1 A 8 8 SER HA H 8 4.600 4.497 0.103 1
1 85 . 7 1 1 A 8 8 SER CA C 8 56.700 57.445 -0.745 1
1 86 . 7 1 1 A 8 8 SER CB C 8 62.600 63.056 -0.456 1
1 87 . 7 1 1 A 8 8 SER N N 8 121.500 120.213 1.287 1
1 88 . 7 1 1 A 9 9 PRO HA H 9 3.920 4.255 -0.335 1
1 95 . 7 1 1 A 9 9 PRO C C 9 178.500 179.029 -0.529 1
1 96 . 7 1 1 A 9 9 PRO CA C 9 65.800 65.645 0.155 1
1 97 . 7 1 1 A 9 9 PRO CB C 9 31.500 32.005 -0.505 1
1 100 . 7 1 1 A 10 10 GLU H H 10 8.610 8.156 0.454 1
1 101 . 7 1 1 A 10 10 GLU HA H 10 3.990 4.049 -0.059 1
1 106 . 7 1 1 A 10 10 GLU C C 10 179.100 179.161 -0.061 1
1 107 . 7 1 1 A 10 10 GLU CA C 10 60.000 59.286 0.714 1
1 108 . 7 1 1 A 10 10 GLU CB C 10 28.800 29.273 -0.473 1
1 110 . 7 1 1 A 10 10 GLU N N 10 116.600 117.862 -1.262 1
1 111 . 7 1 1 A 11 11 VAL H H 11 7.510 7.702 -0.192 1
1 112 . 7 1 1 A 11 11 VAL HA H 11 3.610 3.411 0.199 1
1 120 . 7 1 1 A 11 11 VAL C C 11 177.700 177.856 -0.156 1
1 121 . 7 1 1 A 11 11 VAL CA C 11 66.400 66.530 -0.130 1
1 122 . 7 1 1 A 11 11 VAL CB C 11 31.600 30.953 0.647 1
1 125 . 7 1 1 A 11 11 VAL N N 11 122.700 121.154 1.546 1
1 126 . 7 1 1 A 12 12 ARG H H 12 7.800 7.946 -0.146 1
1 127 . 7 1 1 A 12 12 ARG HA H 12 3.440 3.048 0.392 1
1 135 . 7 1 1 A 12 12 ARG C C 12 178.000 178.562 -0.562 1
1 136 . 7 1 1 A 12 12 ARG CA C 12 59.300 59.629 -0.329 1
1 137 . 7 1 1 A 12 12 ARG CB C 12 29.600 29.447 0.153 1
1 140 . 7 1 1 A 12 12 ARG N N 12 118.700 119.529 -0.829 1
1 142 . 7 1 1 A 13 13 GLN H H 13 8.050 8.030 0.020 1
1 143 . 7 1 1 A 13 13 GLN HA H 13 3.860 3.731 0.129 1
1 150 . 7 1 1 A 13 13 GLN C C 13 178.800 178.190 0.610 1
1 151 . 7 1 1 A 13 13 GLN CA C 13 58.600 58.834 -0.234 1
1 152 . 7 1 1 A 13 13 GLN CB C 13 28.300 28.366 -0.066 1
1 154 . 7 1 1 A 13 13 GLN N N 13 116.100 119.334 -3.234 1
1 156 . 7 1 1 A 14 14 ARG H H 14 7.750 8.267 -0.517 1
1 157 . 7 1 1 A 14 14 ARG HA H 14 3.970 3.969 0.001 1
1 164 . 7 1 1 A 14 14 ARG C C 14 177.900 178.721 -0.821 1
1 165 . 7 1 1 A 14 14 ARG CA C 14 59.100 59.059 0.041 1
1 166 . 7 1 1 A 14 14 ARG CB C 14 30.000 30.099 -0.099 1
1 169 . 7 1 1 A 14 14 ARG N N 14 120.400 118.985 1.415 1
1 170 . 7 1 1 A 15 15 ALA H H 15 8.500 7.500 1.000 1
1 171 . 7 1 1 A 15 15 ALA HA H 15 4.040 4.041 -0.001 1
1 175 . 7 1 1 A 15 15 ALA C C 15 178.800 179.785 -0.985 1
1 176 . 7 1 1 A 15 15 ALA CA C 15 55.300 55.053 0.247 1
1 177 . 7 1 1 A 15 15 ALA CB C 15 19.700 18.679 1.021 1
1 178 . 7 1 1 A 15 15 ALA N N 15 122.200 121.870 0.330 1
1 179 . 7 1 1 A 16 16 VAL H H 16 8.230 8.054 0.176 1
1 180 . 7 1 1 A 16 16 VAL HA H 16 3.360 3.460 -0.100 1
1 188 . 7 1 1 A 16 16 VAL C C 16 177.700 177.828 -0.128 1
1 189 . 7 1 1 A 16 16 VAL CA C 16 67.100 66.774 0.326 1
1 190 . 7 1 1 A 16 16 VAL CB C 16 31.600 31.461 0.139 1
1 193 . 7 1 1 A 16 16 VAL N N 16 116.500 118.044 -1.544 1
1 194 . 7 1 1 A 17 17 ARG H H 17 7.900 8.563 -0.663 1
1 195 . 7 1 1 A 17 17 ARG HA H 17 3.830 3.908 -0.078 1
1 202 . 7 1 1 A 17 17 ARG C C 17 178.000 178.553 -0.553 1
1 203 . 7 1 1 A 17 17 ARG CA C 17 59.700 59.884 -0.184 1
1 204 . 7 1 1 A 17 17 ARG CB C 17 29.200 29.962 -0.762 1
1 207 . 7 1 1 A 17 17 ARG N N 17 119.000 120.135 -1.135 1
1 208 . 7 1 1 A 18 18 MET H H 18 8.210 8.148 0.062 1
1 209 . 7 1 1 A 18 18 MET HA H 18 4.090 4.200 -0.110 1
1 217 . 7 1 1 A 18 18 MET C C 18 179.400 178.220 1.180 1
1 218 . 7 1 1 A 18 18 MET CA C 18 59.500 58.354 1.146 1
1 219 . 7 1 1 A 18 18 MET CB C 18 33.600 32.260 1.340 1
1 222 . 7 1 1 A 18 18 MET N N 18 117.300 118.928 -1.628 1
1 223 . 7 1 1 A 19 19 VAL H H 19 7.790 7.947 -0.157 1
1 224 . 7 1 1 A 19 19 VAL HA H 19 3.390 3.550 -0.160 1
1 232 . 7 1 1 A 19 19 VAL C C 19 177.200 178.011 -0.811 1
1 233 . 7 1 1 A 19 19 VAL CA C 19 66.100 66.721 -0.621 1
1 234 . 7 1 1 A 19 19 VAL CB C 19 31.600 31.658 -0.058 1
1 237 . 7 1 1 A 19 19 VAL N N 19 119.900 119.462 0.438 1
1 238 . 7 1 1 A 20 20 LEU H H 20 8.280 8.051 0.229 1
1 239 . 7 1 1 A 20 20 LEU HA H 20 4.070 3.954 0.116 1
1 249 . 7 1 1 A 20 20 LEU C C 20 180.600 179.289 1.311 1
1 250 . 7 1 1 A 20 20 LEU CA C 20 57.900 58.103 -0.203 1
1 251 . 7 1 1 A 20 20 LEU CB C 20 40.800 40.889 -0.089 1
1 255 . 7 1 1 A 20 20 LEU N N 20 118.400 118.968 -0.568 1
1 256 . 7 1 1 A 21 21 GLU H H 21 8.690 9.207 -0.517 1
1 257 . 7 1 1 A 21 21 GLU HA H 21 4.230 4.042 0.188 1
1 262 . 7 1 1 A 21 21 GLU C C 21 178.200 178.893 -0.693 1
1 263 . 7 1 1 A 21 21 GLU CA C 21 57.900 59.824 -1.924 1
1 264 . 7 1 1 A 21 21 GLU CB C 21 29.700 29.314 0.386 1
1 266 . 7 1 1 A 21 21 GLU N N 21 115.900 120.816 -4.916 1
1 267 . 7 1 1 A 22 22 SER H H 22 7.580 8.016 -0.436 1
1 268 . 7 1 1 A 22 22 SER HA H 22 4.790 4.379 0.411 1
1 271 . 7 1 1 A 22 22 SER C C 22 175.200 175.756 -0.556 1
1 272 . 7 1 1 A 22 22 SER CA C 22 59.500 60.543 -1.043 1
1 273 . 7 1 1 A 22 22 SER CB C 22 64.500 63.393 1.107 1
1 274 . 7 1 1 A 22 22 SER N N 22 113.000 116.987 -3.987 1
1 275 . 7 1 1 A 23 23 GLN H H 23 7.780 7.957 -0.177 1
1 276 . 7 1 1 A 23 23 GLN HA H 23 4.800 4.190 0.610 1
1 283 . 7 1 1 A 23 23 GLN C C 23 177.100 178.247 -1.147 1
1 284 . 7 1 1 A 23 23 GLN CA C 23 57.800 58.995 -1.195 1
1 285 . 7 1 1 A 23 23 GLN CB C 23 28.100 28.492 -0.392 1
1 287 . 7 1 1 A 23 23 GLN N N 23 119.900 122.493 -2.593 1
1 289 . 7 1 1 A 24 24 GLY H H 24 8.680 7.876 0.804 1
1 290 . 7 1 1 A 24 24 GLY HA2 H 24 3.860 3.792 0.068 1
1 291 . 7 1 1 A 24 24 GLY HA3 H 24 4.110 3.796 0.314 1
1 292 . 7 1 1 A 24 24 GLY C C 24 175.100 175.906 -0.806 1
1 293 . 7 1 1 A 24 24 GLY CA C 24 45.900 46.847 -0.947 1
1 294 . 7 1 1 A 24 24 GLY N N 24 108.500 107.117 1.383 1
1 295 . 7 1 1 A 25 25 GLU H H 25 8.110 7.794 0.316 1
1 296 . 7 1 1 A 25 25 GLU HA H 25 4.210 4.240 -0.030 1
1 301 . 7 1 1 A 25 25 GLU C C 25 175.400 176.428 -1.028 1
1 302 . 7 1 1 A 25 25 GLU CA C 25 56.100 57.958 -1.858 1
1 303 . 7 1 1 A 25 25 GLU CB C 25 29.700 30.792 -1.092 1
1 305 . 7 1 1 A 25 25 GLU N N 25 118.200 118.845 -0.645 1
1 306 . 7 1 1 A 26 26 TYR H H 26 7.690 8.336 -0.646 1
1 307 . 7 1 1 A 26 26 TYR HA H 26 4.690 4.607 0.083 1
1 314 . 7 1 1 A 26 26 TYR C C 26 175.800 176.311 -0.511 1
1 315 . 7 1 1 A 26 26 TYR CA C 26 57.000 58.382 -1.382 1
1 316 . 7 1 1 A 26 26 TYR CB C 26 42.200 39.216 2.984 1
1 321 . 7 1 1 A 26 26 TYR N N 26 117.700 118.175 -0.475 1
1 322 . 7 1 1 A 27 27 ASP H H 27 8.850 8.929 -0.079 1
1 323 . 7 1 1 A 27 27 ASP HA H 27 4.520 4.472 0.048 1
1 326 . 7 1 1 A 27 27 ASP C C 27 175.900 176.350 -0.450 1
1 327 . 7 1 1 A 27 27 ASP CA C 27 55.400 56.080 -0.680 1
1 328 . 7 1 1 A 27 27 ASP CB C 27 41.200 40.400 0.800 1
1 329 . 7 1 1 A 27 27 ASP N N 27 117.500 124.607 -7.107 1
1 330 . 7 1 1 A 28 28 SER H H 28 7.550 7.955 -0.405 1
1 331 . 7 1 1 A 28 28 SER HA H 28 4.740 4.803 -0.063 1
1 334 . 7 1 1 A 28 28 SER CA C 28 57.200 58.188 -0.988 1
1 335 . 7 1 1 A 28 28 SER CB C 28 65.800 64.297 1.503 1
1 336 . 7 1 1 A 28 28 SER N N 28 109.000 114.632 -5.632 1
1 337 . 7 1 1 A 29 29 GLN HA H 29 3.950 3.917 0.033 1
1 344 . 7 1 1 A 29 29 GLN C C 29 178.100 177.516 0.584 1
1 345 . 7 1 1 A 29 29 GLN CA C 29 60.200 59.014 1.186 1
1 346 . 7 1 1 A 29 29 GLN CB C 29 29.900 28.250 1.650 1
1 349 . 7 1 1 A 30 30 TRP H H 30 9.010 8.367 0.643 1
1 350 . 7 1 1 A 30 30 TRP HA H 30 4.720 4.473 0.247 1
1 359 . 7 1 1 A 30 30 TRP C C 30 177.100 178.238 -1.138 1
1 360 . 7 1 1 A 30 30 TRP CA C 30 59.300 60.014 -0.714 1
1 361 . 7 1 1 A 30 30 TRP CB C 30 30.000 28.017 1.983 1
1 367 . 7 1 1 A 30 30 TRP N N 30 121.400 119.410 1.990 1
1 369 . 7 1 1 A 31 31 ALA H H 31 8.360 7.237 1.123 1
1 370 . 7 1 1 A 31 31 ALA HA H 31 3.790 3.340 0.450 1
1 374 . 7 1 1 A 31 31 ALA C C 31 180.300 179.469 0.831 1
1 375 . 7 1 1 A 31 31 ALA CA C 31 55.300 54.452 0.848 1
1 376 . 7 1 1 A 31 31 ALA CB C 31 18.200 17.770 0.430 1
1 377 . 7 1 1 A 31 31 ALA N N 31 121.600 123.450 -1.850 1
1 378 . 7 1 1 A 32 32 THR H H 32 7.420 7.117 0.303 1
1 379 . 7 1 1 A 32 32 THR HA H 32 2.620 3.480 -0.860 1
1 384 . 7 1 1 A 32 32 THR C C 32 176.700 176.365 0.335 1
1 385 . 7 1 1 A 32 32 THR CA C 32 66.200 66.496 -0.296 1
1 386 . 7 1 1 A 32 32 THR CB C 32 67.800 67.749 0.051 1
1 388 . 7 1 1 A 32 32 THR N N 32 115.700 114.348 1.352 1
1 389 . 7 1 1 A 33 33 ILE H H 33 8.490 8.031 0.459 1
1 390 . 7 1 1 A 33 33 ILE HA H 33 3.180 3.513 -0.333 1
1 400 . 7 1 1 A 33 33 ILE C C 33 177.300 177.852 -0.552 1
1 401 . 7 1 1 A 33 33 ILE CA C 33 65.900 65.266 0.634 1
1 402 . 7 1 1 A 33 33 ILE CB C 33 37.700 37.798 -0.098 1
1 406 . 7 1 1 A 33 33 ILE N N 33 124.100 121.058 3.042 1
1 407 . 7 1 1 A 34 34 CYS H H 34 8.060 8.020 0.040 1
1 408 . 7 1 1 A 34 34 CYS HA H 34 3.610 4.231 -0.621 1
1 411 . 7 1 1 A 34 34 CYS C C 34 175.800 176.074 -0.274 1
1 412 . 7 1 1 A 34 34 CYS CA C 34 63.800 61.984 1.816 1
1 413 . 7 1 1 A 34 34 CYS CB C 34 26.400 27.048 -0.648 1
1 414 . 7 1 1 A 34 34 CYS N N 34 115.900 118.854 -2.954 1
1 415 . 7 1 1 A 35 35 SER H H 35 7.150 7.351 -0.201 1
1 416 . 7 1 1 A 35 35 SER HA H 35 4.260 4.371 -0.111 1
1 419 . 7 1 1 A 35 35 SER C C 35 175.500 175.696 -0.196 1
1 420 . 7 1 1 A 35 35 SER CA C 35 60.200 60.069 0.131 1
1 421 . 7 1 1 A 35 35 SER CB C 35 63.600 63.567 0.033 1
1 422 . 7 1 1 A 35 35 SER N N 35 113.600 113.226 0.374 1
1 423 . 7 1 1 A 36 36 ILE H H 36 7.650 7.619 0.031 1
1 424 . 7 1 1 A 36 36 ILE HA H 36 3.850 3.903 -0.053 1
1 434 . 7 1 1 A 36 36 ILE C C 36 176.900 177.644 -0.744 1
1 435 . 7 1 1 A 36 36 ILE CA C 36 61.700 63.543 -1.843 1
1 436 . 7 1 1 A 36 36 ILE CB C 36 37.700 37.594 0.106 1
1 440 . 7 1 1 A 36 36 ILE N N 36 120.700 121.510 -0.810 1
1 441 . 7 1 1 A 37 37 ALA H H 37 8.200 8.380 -0.180 1
1 442 . 7 1 1 A 37 37 ALA HA H 37 3.860 4.016 -0.156 1
1 446 . 7 1 1 A 37 37 ALA CA C 37 57.400 57.231 0.169 1
1 447 . 7 1 1 A 37 37 ALA CB C 37 14.900 16.880 -1.980 1
1 448 . 7 1 1 A 37 37 ALA N N 37 122.200 124.184 -1.984 1
1 449 . 7 1 1 A 38 38 PRO HA H 38 4.470 4.405 0.065 1
1 456 . 7 1 1 A 38 38 PRO C C 38 178.800 178.327 0.473 1
1 457 . 7 1 1 A 38 38 PRO CA C 38 65.600 64.847 0.753 1
1 458 . 7 1 1 A 38 38 PRO CB C 38 31.000 31.374 -0.374 1
1 461 . 7 1 1 A 39 39 LYS H H 39 7.680 8.237 -0.557 1
1 462 . 7 1 1 A 39 39 LYS HA H 39 4.150 4.106 0.044 1
1 471 . 7 1 1 A 39 39 LYS C C 39 177.800 179.033 -1.233 1
1 472 . 7 1 1 A 39 39 LYS CA C 39 58.000 58.803 -0.803 1
1 473 . 7 1 1 A 39 39 LYS CB C 39 31.800 32.776 -0.976 1
1 477 . 7 1 1 A 39 39 LYS N N 39 115.500 116.903 -1.403 1
1 478 . 7 1 1 A 40 40 ILE H H 40 7.540 7.482 0.058 1
1 479 . 7 1 1 A 40 40 ILE HA H 40 4.130 3.963 0.167 1
1 489 . 7 1 1 A 40 40 ILE C C 40 176.500 176.598 -0.098 1
1 490 . 7 1 1 A 40 40 ILE CA C 40 59.600 62.896 -3.296 1
1 491 . 7 1 1 A 40 40 ILE CB C 40 37.300 38.583 -1.283 1
1 495 . 7 1 1 A 40 40 ILE N N 40 117.500 116.794 0.706 1
1 496 . 7 1 1 A 41 41 GLY H H 41 8.430 8.840 -0.410 1
1 497 . 7 1 1 A 41 41 GLY HA2 H 41 4.550 3.948 0.602 1
1 498 . 7 1 1 A 41 41 GLY HA3 H 41 3.790 3.958 -0.168 1
1 499 . 7 1 1 A 41 41 GLY C C 41 173.900 173.570 0.330 1
1 500 . 7 1 1 A 41 41 GLY CA C 41 44.900 46.345 -1.445 1
1 501 . 7 1 1 A 41 41 GLY N N 41 105.100 109.159 -4.059 1
1 502 . 7 1 1 A 42 42 CYS H H 42 7.360 7.315 0.045 1
1 503 . 7 1 1 A 42 42 CYS HA H 42 5.220 5.035 0.185 1
1 506 . 7 1 1 A 42 42 CYS C C 42 173.100 173.283 -0.183 1
1 507 . 7 1 1 A 42 42 CYS CA C 42 53.300 58.148 -4.848 1
1 508 . 7 1 1 A 42 42 CYS CB C 42 31.700 32.694 -0.994 1
1 509 . 7 1 1 A 42 42 CYS N N 42 115.400 118.509 -3.109 1
1 510 . 7 1 1 A 43 43 THR H H 43 8.550 8.521 0.029 1
1 511 . 7 1 1 A 43 43 THR HA H 43 4.560 4.635 -0.075 1
1 516 . 7 1 1 A 43 43 THR CA C 43 59.800 60.211 -0.411 1
1 517 . 7 1 1 A 43 43 THR CB C 43 68.500 69.065 -0.565 1
1 519 . 7 1 1 A 43 43 THR N N 43 111.500 114.290 -2.790 1
1 520 . 7 1 1 A 44 44 PRO HA H 44 3.680 4.179 -0.499 1
1 527 . 7 1 1 A 44 44 PRO C C 44 177.300 178.352 -1.052 1
1 528 . 7 1 1 A 44 44 PRO CA C 44 65.200 65.513 -0.313 1
1 529 . 7 1 1 A 44 44 PRO CB C 44 32.400 31.876 0.524 1
1 532 . 7 1 1 A 45 45 GLU H H 45 8.900 9.035 -0.135 1
1 533 . 7 1 1 A 45 45 GLU HA H 45 3.990 4.036 -0.046 1
1 538 . 7 1 1 A 45 45 GLU C C 45 179.000 178.863 0.137 1
1 539 . 7 1 1 A 45 45 GLU CA C 45 61.300 59.028 2.272 1
1 540 . 7 1 1 A 45 45 GLU CB C 45 28.200 28.980 -0.780 1
1 542 . 7 1 1 A 45 45 GLU N N 45 117.100 116.929 0.171 1
1 543 . 7 1 1 A 46 46 THR H H 46 7.680 7.519 0.161 1
1 544 . 7 1 1 A 46 46 THR HA H 46 3.560 3.682 -0.122 1
1 549 . 7 1 1 A 46 46 THR C C 46 173.800 175.695 -1.895 1
1 550 . 7 1 1 A 46 46 THR CA C 46 66.300 66.578 -0.278 1
1 551 . 7 1 1 A 46 46 THR CB C 46 68.000 66.701 1.299 1
1 553 . 7 1 1 A 46 46 THR N N 46 118.800 116.771 2.029 1
1 554 . 7 1 1 A 47 47 LEU H H 47 7.040 7.768 -0.728 1
1 555 . 7 1 1 A 47 47 LEU HA H 47 3.170 3.944 -0.774 1
1 565 . 7 1 1 A 47 47 LEU C C 47 177.500 178.394 -0.894 1
1 566 . 7 1 1 A 47 47 LEU CA C 47 56.800 58.144 -1.344 1
1 567 . 7 1 1 A 47 47 LEU CB C 47 40.500 41.473 -0.973 1
1 571 . 7 1 1 A 47 47 LEU N N 47 120.600 121.028 -0.428 1
1 572 . 7 1 1 A 48 48 ARG H H 48 8.430 7.849 0.581 1
1 573 . 7 1 1 A 48 48 ARG HA H 48 3.880 3.978 -0.098 1
1 580 . 7 1 1 A 48 48 ARG C C 48 177.400 178.641 -1.241 1
1 581 . 7 1 1 A 48 48 ARG CA C 48 60.200 58.820 1.380 1
1 582 . 7 1 1 A 48 48 ARG CB C 48 30.500 29.764 0.736 1
1 585 . 7 1 1 A 48 48 ARG N N 48 118.200 119.061 -0.861 1
1 586 . 7 1 1 A 49 49 VAL H H 49 7.400 7.407 -0.007 1
1 587 . 7 1 1 A 49 49 VAL HA H 49 3.630 3.577 0.053 1
1 595 . 7 1 1 A 49 49 VAL C C 49 178.900 178.083 0.817 1
1 596 . 7 1 1 A 49 49 VAL CA C 49 67.200 66.393 0.807 1
1 597 . 7 1 1 A 49 49 VAL CB C 49 30.700 31.387 -0.687 1
1 600 . 7 1 1 A 49 49 VAL N N 49 120.300 118.530 1.770 1
1 601 . 7 1 1 A 50 50 TRP H H 50 7.850 7.997 -0.147 1
1 602 . 7 1 1 A 50 50 TRP HA H 50 4.740 4.403 0.337 1
1 611 . 7 1 1 A 50 50 TRP C C 50 180.400 178.971 1.429 1
1 612 . 7 1 1 A 50 50 TRP CA C 50 57.800 60.042 -2.242 1
1 613 . 7 1 1 A 50 50 TRP CB C 50 28.700 29.740 -1.040 1
1 619 . 7 1 1 A 50 50 TRP N N 50 120.300 119.944 0.356 1
1 621 . 7 1 1 A 51 51 VAL H H 51 8.820 8.260 0.560 1
1 622 . 7 1 1 A 51 51 VAL HA H 51 3.690 3.731 -0.041 1
1 630 . 7 1 1 A 51 51 VAL C C 51 177.700 178.126 -0.426 1
1 631 . 7 1 1 A 51 51 VAL CA C 51 66.800 66.783 0.017 1
1 632 . 7 1 1 A 51 51 VAL CB C 51 32.000 31.365 0.635 1
1 635 . 7 1 1 A 51 51 VAL N N 51 121.300 120.033 1.267 1
1 636 . 7 1 1 A 52 52 ARG H H 52 8.740 8.170 0.570 1
1 637 . 7 1 1 A 52 52 ARG HA H 52 4.260 4.170 0.090 1
1 644 . 7 1 1 A 52 52 ARG C C 52 179.500 179.154 0.346 1
1 645 . 7 1 1 A 52 52 ARG CA C 52 58.900 60.070 -1.170 1
1 646 . 7 1 1 A 52 52 ARG CB C 52 29.900 30.014 -0.114 1
1 649 . 7 1 1 A 52 52 ARG N N 52 120.200 119.901 0.299 1
1 650 . 7 1 1 A 53 53 GLN H H 53 8.540 8.518 0.022 1
1 651 . 7 1 1 A 53 53 GLN HA H 53 4.050 4.146 -0.096 1
1 658 . 7 1 1 A 53 53 GLN C C 53 177.600 178.755 -1.155 1
1 659 . 7 1 1 A 53 53 GLN CA C 53 58.700 58.930 -0.230 1
1 660 . 7 1 1 A 53 53 GLN CB C 53 28.100 28.345 -0.245 1
1 662 . 7 1 1 A 53 53 GLN N N 53 119.100 118.738 0.362 1
1 664 . 7 1 1 A 54 54 HIS H H 54 8.010 8.418 -0.408 1
1 665 . 7 1 1 A 54 54 HIS HA H 54 4.410 4.596 -0.186 1
1 668 . 7 1 1 A 54 54 HIS C C 54 177.800 177.543 0.257 1
1 669 . 7 1 1 A 54 54 HIS CA C 54 59.700 60.009 -0.309 1
1 670 . 7 1 1 A 54 54 HIS CB C 54 30.600 29.746 0.854 1
1 671 . 7 1 1 A 54 54 HIS N N 54 119.300 121.370 -2.070 1
1 672 . 7 1 1 A 55 55 GLU H H 55 8.460 8.139 0.321 1
1 673 . 7 1 1 A 55 55 GLU HA H 55 3.940 3.820 0.120 1
1 678 . 7 1 1 A 55 55 GLU C C 55 178.400 179.455 -1.055 1
1 679 . 7 1 1 A 55 55 GLU CA C 55 58.800 60.099 -1.299 1
1 680 . 7 1 1 A 55 55 GLU CB C 55 29.800 29.253 0.547 1
1 682 . 7 1 1 A 55 55 GLU N N 55 119.700 118.681 1.019 1
1 683 . 7 1 1 A 56 56 ARG H H 56 7.990 7.598 0.392 1
1 684 . 7 1 1 A 56 56 ARG HA H 56 4.160 4.161 -0.001 1
1 691 . 7 1 1 A 56 56 ARG C C 56 177.800 178.569 -0.769 1
1 692 . 7 1 1 A 56 56 ARG CA C 56 58.100 59.041 -0.941 1
1 693 . 7 1 1 A 56 56 ARG CB C 56 30.100 29.750 0.350 1
1 696 . 7 1 1 A 56 56 ARG N N 56 119.200 119.659 -0.459 1
1 697 . 7 1 1 A 57 57 ASP H H 57 8.300 7.947 0.353 1
1 698 . 7 1 1 A 57 57 ASP HA H 57 4.550 4.326 0.224 1
1 701 . 7 1 1 A 57 57 ASP C C 57 177.400 178.931 -1.531 1
1 702 . 7 1 1 A 57 57 ASP CA C 57 55.800 56.955 -1.155 1
1 703 . 7 1 1 A 57 57 ASP CB C 57 40.800 40.663 0.137 1
1 704 . 7 1 1 A 57 57 ASP N N 57 120.000 119.458 0.542 1
1 705 . 7 1 1 A 58 58 THR H H 58 7.890 7.953 -0.063 1
1 706 . 7 1 1 A 58 58 THR HA H 58 4.310 3.948 0.362 1
1 711 . 7 1 1 A 58 58 THR C C 58 175.500 176.770 -1.270 1
1 712 . 7 1 1 A 58 58 THR CA C 58 62.200 66.419 -4.219 1
1 713 . 7 1 1 A 58 58 THR CB C 58 69.800 67.980 1.820 1
1 715 . 7 1 1 A 58 58 THR N N 58 111.300 117.363 -6.063 1
1 716 . 7 1 1 A 59 59 GLY H H 59 8.070 7.815 0.255 1
1 717 . 7 1 1 A 59 59 GLY HA2 H 59 4.010 3.712 0.298 1
1 718 . 7 1 1 A 59 59 GLY HA3 H 59 4.010 3.712 0.298 1
1 719 . 7 1 1 A 59 59 GLY C C 59 174.700 174.964 -0.264 1
1 720 . 7 1 1 A 59 59 GLY CA C 59 45.600 46.651 -1.051 1
1 721 . 7 1 1 A 59 59 GLY N N 59 110.600 107.890 2.710 1
1 722 . 7 1 1 A 60 60 GLY H H 60 8.260 8.444 -0.184 1
1 723 . 7 1 1 A 60 60 GLY HA2 H 60 3.990 3.943 0.047 1
1 724 . 7 1 1 A 60 60 GLY HA3 H 60 3.990 3.947 0.043 1
1 725 . 7 1 1 A 60 60 GLY C C 60 173.900 172.460 1.440 1
1 726 . 7 1 1 A 60 60 GLY CA C 60 45.100 47.064 -1.964 1
1 727 . 7 1 1 A 60 60 GLY N N 60 108.700 106.498 2.202 1
1 728 . 7 1 1 A 61 61 ASP H H 61 8.320 7.939 0.381 1
1 729 . 7 1 1 A 61 61 ASP HA H 61 4.650 4.884 -0.234 1
1 732 . 7 1 1 A 61 61 ASP C C 61 176.200 173.974 2.226 1
1 733 . 7 1 1 A 61 61 ASP CA C 61 54.200 53.141 1.059 1
1 734 . 7 1 1 A 61 61 ASP CB C 61 41.300 43.213 -1.913 1
1 735 . 7 1 1 A 61 61 ASP N N 61 120.500 123.558 -3.058 1
1 736 . 7 1 1 A 62 62 ASP H H 62 8.400 8.558 -0.158 1
1 737 . 7 1 1 A 62 62 ASP HA H 62 4.600 4.915 -0.315 1
1 740 . 7 1 1 A 62 62 ASP C C 62 177.100 176.851 0.249 1
1 741 . 7 1 1 A 62 62 ASP CA C 62 54.200 54.111 0.089 1
1 742 . 7 1 1 A 62 62 ASP CB C 62 41.100 41.564 -0.464 1
1 743 . 7 1 1 A 62 62 ASP N N 62 121.100 120.868 0.232 1
1 744 . 7 1 1 A 63 63 GLY H H 63 8.500 8.205 0.295 1
1 745 . 7 1 1 A 63 63 GLY HA2 H 63 3.950 3.923 0.027 1
1 746 . 7 1 1 A 63 63 GLY HA3 H 63 3.950 3.924 0.026 1
1 747 . 7 1 1 A 63 63 GLY C C 63 175.000 174.131 0.869 1
1 748 . 7 1 1 A 63 63 GLY CA C 63 45.700 45.960 -0.260 1
1 749 . 7 1 1 A 63 63 GLY N N 63 109.400 108.394 1.006 1
1 750 . 7 1 1 A 64 64 GLY H H 64 8.360 7.902 0.458 1
1 751 . 7 1 1 A 64 64 GLY HA2 H 64 3.950 3.957 -0.007 1
1 752 . 7 1 1 A 64 64 GLY HA3 H 64 3.950 3.957 -0.007 1
1 753 . 7 1 1 A 64 64 GLY C C 64 174.300 173.379 0.921 1
1 754 . 7 1 1 A 64 64 GLY CA C 64 45.300 46.822 -1.522 1
1 755 . 7 1 1 A 64 64 GLY N N 64 108.700 108.407 0.293 1
1 756 . 7 1 1 A 65 65 LEU H H 65 8.020 7.888 0.132 1
1 757 . 7 1 1 A 65 65 LEU HA H 65 4.460 4.365 0.095 1
1 767 . 7 1 1 A 65 65 LEU C C 65 178.000 177.073 0.927 1
1 768 . 7 1 1 A 65 65 LEU CA C 65 55.200 54.848 0.352 1
1 769 . 7 1 1 A 65 65 LEU CB C 65 42.700 41.025 1.675 1
1 773 . 7 1 1 A 65 65 LEU N N 65 121.300 125.720 -4.420 1
1 774 . 7 1 1 A 66 66 THR H H 66 8.470 9.029 -0.559 1
1 775 . 7 1 1 A 66 66 THR HA H 66 4.440 4.473 -0.033 1
1 780 . 7 1 1 A 66 66 THR C C 66 175.200 174.815 0.385 1
1 781 . 7 1 1 A 66 66 THR CA C 66 61.600 62.932 -1.332 1
1 782 . 7 1 1 A 66 66 THR CB C 66 70.200 69.246 0.954 1
1 784 . 7 1 1 A 66 66 THR N N 66 114.300 119.308 -5.008 1
1 785 . 7 1 1 A 67 67 THR H H 67 8.370 7.679 0.691 1
1 786 . 7 1 1 A 67 67 THR HA H 67 4.110 4.261 -0.151 1
1 791 . 7 1 1 A 67 67 THR C C 67 175.300 174.348 0.952 1
1 792 . 7 1 1 A 67 67 THR CA C 67 63.900 63.801 0.099 1
1 793 . 7 1 1 A 67 67 THR CB C 67 69.100 69.415 -0.315 1
1 795 . 7 1 1 A 67 67 THR N N 67 116.600 117.022 -0.422 1
1 796 . 7 1 1 A 68 68 ALA H H 68 8.340 8.655 -0.315 1
1 797 . 7 1 1 A 68 68 ALA HA H 68 4.220 4.786 -0.566 1
1 801 . 7 1 1 A 68 68 ALA C C 68 179.100 176.985 2.115 1
1 802 . 7 1 1 A 68 68 ALA CA C 68 53.800 51.380 2.420 1
1 803 . 7 1 1 A 68 68 ALA CB C 68 18.700 17.258 1.442 1
1 804 . 7 1 1 A 68 68 ALA N N 68 124.500 129.007 -4.507 1
1 805 . 7 1 1 A 69 69 GLU H H 69 8.090 9.071 -0.981 1
1 806 . 7 1 1 A 69 69 GLU HA H 69 4.140 4.553 -0.413 1
1 811 . 7 1 1 A 69 69 GLU C C 69 177.800 179.119 -1.319 1
1 812 . 7 1 1 A 69 69 GLU CA C 69 57.700 57.953 -0.253 1
1 813 . 7 1 1 A 69 69 GLU CB C 69 30.100 30.855 -0.755 1
1 815 . 7 1 1 A 69 69 GLU N N 69 119.000 122.770 -3.770 1
1 816 . 7 1 1 A 70 70 ARG H H 70 8.300 8.194 0.106 1
1 817 . 7 1 1 A 70 70 ARG HA H 70 4.140 4.135 0.005 1
1 824 . 7 1 1 A 70 70 ARG C C 70 177.400 177.070 0.330 1
1 825 . 7 1 1 A 70 70 ARG CA C 70 57.500 58.573 -1.073 1
1 826 . 7 1 1 A 70 70 ARG CB C 70 30.300 30.189 0.111 1
1 829 . 7 1 1 A 70 70 ARG N N 70 120.400 120.926 -0.526 1
1 830 . 7 1 1 A 71 71 GLN H H 71 8.200 7.769 0.431 1
1 831 . 7 1 1 A 71 71 GLN HA H 71 4.200 4.335 -0.135 1
1 838 . 7 1 1 A 71 71 GLN C C 71 176.600 174.833 1.767 1
1 839 . 7 1 1 A 71 71 GLN CA C 71 56.800 55.363 1.437 1
1 840 . 7 1 1 A 71 71 GLN CB C 71 28.900 28.774 0.126 1
1 842 . 7 1 1 A 71 71 GLN N N 71 119.500 118.933 0.567 1
1 844 . 7 1 1 A 72 72 ARG H H 72 7.990 8.225 -0.235 1
1 845 . 7 1 1 A 72 72 ARG HA H 72 4.240 4.609 -0.369 1
1 847 . 7 1 1 A 72 72 ARG C C 72 176.600 176.485 0.115 1
1 848 . 7 1 1 A 72 72 ARG CA C 72 56.900 55.928 0.972 1
1 849 . 7 1 1 A 72 72 ARG CB C 72 30.500 31.472 -0.972 1
1 852 . 7 1 1 A 72 72 ARG N N 72 120.600 125.152 -4.552 1
1 853 . 7 1 1 A 73 73 LEU H H 73 7.980 8.667 -0.687 1
1 854 . 7 1 1 A 73 73 LEU HA H 73 4.280 4.578 -0.298 1
1 864 . 7 1 1 A 73 73 LEU C C 73 177.100 176.426 0.674 1
1 865 . 7 1 1 A 73 73 LEU CA C 73 55.300 54.268 1.032 1
1 866 . 7 1 1 A 73 73 LEU CB C 73 42.200 42.938 -0.738 1
1 870 . 7 1 1 A 73 73 LEU N N 73 121.400 121.669 -0.269 1
1 871 . 7 1 1 A 74 74 LYS H H 74 8.050 8.763 -0.713 1
1 872 . 7 1 1 A 74 74 LYS HA H 74 4.300 3.812 0.488 1
1 881 . 7 1 1 A 74 74 LYS C C 74 176.100 174.905 1.195 1
1 882 . 7 1 1 A 74 74 LYS CA C 74 56.000 57.367 -1.367 1
1 883 . 7 1 1 A 74 74 LYS CB C 74 33.000 29.309 3.691 1
1 887 . 7 1 1 A 74 74 LYS N N 74 121.000 117.090 3.910 1
1 888 . 7 1 1 A 75 75 GLU H H 75 8.360 7.792 0.568 1
1 889 . 7 1 1 A 75 75 GLU HA H 75 4.550 4.541 0.009 1
1 894 . 7 1 1 A 75 75 GLU CA C 75 54.400 53.873 0.527 1
1 895 . 7 1 1 A 75 75 GLU CB C 75 29.600 30.631 -1.031 1
1 897 . 7 1 1 A 75 75 GLU N N 75 123.800 119.996 3.804 1
1 898 . 7 1 1 A 76 76 PRO HA H 76 4.410 4.619 -0.209 1
1 905 . 7 1 1 A 76 76 PRO C C 76 177.000 176.171 0.829 1
1 906 . 7 1 1 A 76 76 PRO CA C 76 63.300 63.794 -0.494 1
1 907 . 7 1 1 A 76 76 PRO CB C 76 32.000 32.248 -0.248 1
1 910 . 7 1 1 A 77 77 GLU H H 77 8.580 8.100 0.480 1
1 911 . 7 1 1 A 77 77 GLU HA H 77 4.220 4.347 -0.127 1
1 916 . 7 1 1 A 77 77 GLU C C 77 176.700 176.273 0.427 1
1 917 . 7 1 1 A 77 77 GLU CA C 77 56.800 55.696 1.104 1
1 918 . 7 1 1 A 77 77 GLU CB C 77 29.900 29.214 0.686 1
1 920 . 7 1 1 A 77 77 GLU N N 77 120.800 120.482 0.318 1
1 921 . 7 1 1 A 78 78 ARG H H 78 8.330 8.576 -0.246 1
1 922 . 7 1 1 A 78 78 ARG HA H 78 4.270 4.242 0.028 1
1 925 . 7 1 1 A 78 78 ARG C C 78 176.500 175.804 0.696 1
1 926 . 7 1 1 A 78 78 ARG CA C 78 56.700 57.854 -1.154 1
1 927 . 7 1 1 A 78 78 ARG CB C 78 30.600 31.329 -0.729 1
1 930 . 7 1 1 A 78 78 ARG N N 78 122.000 127.838 -5.838 1
1 931 . 7 1 1 A 79 79 GLU H H 79 8.020 7.776 0.244 1
1 932 . 7 1 1 A 79 79 GLU HA H 79 4.230 4.615 -0.385 1
1 937 . 7 1 1 A 79 79 GLU C C 79 176.100 174.691 1.409 1
1 938 . 7 1 1 A 79 79 GLU CA C 79 56.500 55.979 0.521 1
1 939 . 7 1 1 A 79 79 GLU CB C 79 30.200 31.781 -1.581 1
1 941 . 7 1 1 A 79 79 GLU N N 79 121.900 118.288 3.612 1
1 942 . 7 1 1 A 80 80 ASN H H 80 8.510 8.962 -0.452 1
1 943 . 7 1 1 A 80 80 ASN HA H 80 4.690 4.834 -0.144 1
1 948 . 7 1 1 A 80 80 ASN C C 80 175.400 175.189 0.211 1
1 949 . 7 1 1 A 80 80 ASN CA C 80 53.300 53.917 -0.617 1
1 950 . 7 1 1 A 80 80 ASN CB C 80 38.500 38.226 0.274 1
1 951 . 7 1 1 A 80 80 ASN N N 80 120.000 124.887 -4.887 1
1 953 . 7 1 1 A 81 81 ARG H H 81 8.400 8.712 -0.312 1
1 954 . 7 1 1 A 81 81 ARG HA H 81 4.250 4.419 -0.169 1
1 961 . 7 1 1 A 81 81 ARG C C 81 175.600 178.045 -2.445 1
1 962 . 7 1 1 A 81 81 ARG CA C 81 56.500 57.406 -0.906 1
1 963 . 7 1 1 A 81 81 ARG CB C 81 30.800 31.267 -0.467 1
1 966 . 7 1 1 A 81 81 ARG N N 81 121.900 124.482 -2.582 1
1 967 . 7 1 1 A 82 82 GLU H H 82 8.410 8.427 -0.017 1
1 968 . 7 1 1 A 82 82 GLU HA H 82 4.240 4.328 -0.088 1
1 973 . 7 1 1 A 82 82 GLU C C 82 176.400 178.239 -1.839 1
1 974 . 7 1 1 A 82 82 GLU CA C 82 56.700 58.420 -1.720 1
1 975 . 7 1 1 A 82 82 GLU CB C 82 29.900 30.449 -0.549 1
1 977 . 7 1 1 A 82 82 GLU N N 82 120.900 118.672 2.228 1
1 978 . 7 1 1 A 83 83 LEU H H 83 8.120 7.829 0.291 1
1 979 . 7 1 1 A 83 83 LEU HA H 83 4.310 4.221 0.089 1
1 988 . 7 1 1 A 83 83 LEU C C 83 177.100 176.744 0.356 1
1 989 . 7 1 1 A 83 83 LEU CA C 83 55.200 55.069 0.131 1
1 990 . 7 1 1 A 83 83 LEU CB C 83 42.100 42.162 -0.062 1
1 994 . 7 1 1 A 83 83 LEU N N 83 122.800 119.348 3.452 1
1 995 . 7 1 1 A 84 84 ARG H H 84 8.260 8.045 0.215 1
1 996 . 7 1 1 A 84 84 ARG HA H 84 4.340 3.986 0.354 1
1 999 . 7 1 1 A 84 84 ARG C C 84 176.000 175.138 0.862 1
1 1000 . 7 1 1 A 84 84 ARG CA C 84 55.900 57.852 -1.952 1
1 1001 . 7 1 1 A 84 84 ARG CB C 84 30.600 30.110 0.490 1
1 1004 . 7 1 1 A 84 84 ARG N N 84 121.800 118.894 2.906 1
1 1005 . 7 1 1 A 85 85 ARG H H 85 8.390 8.120 0.270 1
1 1006 . 7 1 1 A 85 85 ARG HA H 85 4.390 4.525 -0.135 1
1 1009 . 7 1 1 A 85 85 ARG C C 85 176.100 174.339 1.761 1
1 1010 . 7 1 1 A 85 85 ARG CA C 85 56.000 54.888 1.112 1
1 1011 . 7 1 1 A 85 85 ARG CB C 85 31.000 30.125 0.875 1
1 1014 . 7 1 1 A 85 85 ARG N N 85 122.800 120.191 2.609 1
1 1015 . 7 1 1 A 86 86 SER H H 86 8.430 8.797 -0.367 1
1 1016 . 7 1 1 A 86 86 SER HA H 86 4.470 4.796 -0.326 1
1 1019 . 7 1 1 A 86 86 SER C C 86 173.300 173.929 -0.629 1
1 1020 . 7 1 1 A 86 86 SER CA C 86 58.200 57.197 1.003 1
1 1021 . 7 1 1 A 86 86 SER CB C 86 64.000 65.237 -1.237 1
1 1022 . 7 1 1 A 86 86 SER N N 86 117.500 121.377 -3.877 1
1 1023 . 7 1 1 A 87 87 ASN H H 87 8.120 8.744 -0.624 1
1 1024 . 7 1 1 A 87 87 ASN HA H 87 4.470 4.725 -0.255 1
1 1029 . 7 1 1 A 87 87 ASN CA C 87 54.800 53.043 1.757 1
1 1030 . 7 1 1 A 87 87 ASN CB C 87 40.100 38.350 1.750 1
1 1031 . 7 1 1 A 87 87 ASN N N 87 125.900 120.602 5.298 1
1 1033 . 7 1 1 A 88 88 ASP HA H 88 4.640 5.220 -0.580 1
1 1036 . 7 1 1 A 88 88 ASP C C 88 175.700 175.196 0.504 1
1 1037 . 7 1 1 A 88 88 ASP CA C 88 54.500 52.706 1.794 1
1 1038 . 7 1 1 A 88 88 ASP CB C 88 41.100 45.278 -4.178 1
1 1039 . 7 1 1 A 89 89 ILE H H 89 8.000 8.664 -0.664 1
1 1040 . 7 1 1 A 89 89 ILE HA H 89 4.160 4.316 -0.156 1
1 1050 . 7 1 1 A 89 89 ILE C C 89 175.200 175.033 0.167 1
1 1051 . 7 1 1 A 89 89 ILE CA C 89 61.100 61.298 -0.198 1
1 1052 . 7 1 1 A 89 89 ILE CB C 89 38.500 36.478 2.022 1
1 1056 . 7 1 1 A 89 89 ILE N N 89 120.400 121.014 -0.614 1
1 1057 . 7 1 1 A 90 90 LEU H H 90 7.880 8.299 -0.419 1
1 1058 . 7 1 1 A 90 90 LEU HA H 90 4.190 4.870 -0.680 1
1 1067 . 7 1 1 A 90 90 LEU CA C 90 56.700 54.284 2.416 1
1 1068 . 7 1 1 A 90 90 LEU CB C 90 43.300 43.501 -0.201 1
1 1072 . 7 1 1 A 90 90 LEU N N 90 131.900 128.776 3.124 1
1 1073 . 7 1 1 A 93 93 ALA HA H 93 4.370 4.285 0.085 1
1 1077 . 7 1 1 A 93 93 ALA C C 93 176.600 176.851 -0.251 1
1 1078 . 7 1 1 A 93 93 ALA CA C 93 52.300 53.327 -1.027 1
1 1079 . 7 1 1 A 93 93 ALA CB C 93 19.200 19.767 -0.567 1
1 1080 . 7 1 1 A 94 94 SER H H 94 7.910 7.654 0.256 1
1 1081 . 7 1 1 A 94 94 SER HA H 94 4.250 4.706 -0.456 1
1 1084 . 7 1 1 A 94 94 SER CA C 94 59.900 57.799 2.101 1
1 1085 . 7 1 1 A 94 94 SER CB C 94 64.700 67.363 -2.663 1
1 1 . 8 1 1 A 2 2 THR HA H 2 4.360 4.444 -0.084 1
1 6 . 8 1 1 A 2 2 THR C C 2 174.300 174.243 0.057 1
1 7 . 8 1 1 A 2 2 THR CA C 2 61.900 62.520 -0.620 1
1 8 . 8 1 1 A 2 2 THR CB C 2 69.900 68.332 1.568 1
1 10 . 8 1 1 A 3 3 LYS H H 3 8.520 9.072 -0.552 1
1 11 . 8 1 1 A 3 3 LYS HA H 3 4.320 4.520 -0.200 1
1 20 . 8 1 1 A 3 3 LYS C C 3 176.100 175.800 0.300 1
1 21 . 8 1 1 A 3 3 LYS CA C 3 56.400 57.537 -1.137 1
1 22 . 8 1 1 A 3 3 LYS CB C 3 33.000 35.256 -2.256 1
1 26 . 8 1 1 A 3 3 LYS N N 3 124.100 128.567 -4.467 1
1 27 . 8 1 1 A 4 4 ASN H H 4 8.560 7.723 0.837 1
1 28 . 8 1 1 A 4 4 ASN HA H 4 4.760 4.980 -0.220 1
1 33 . 8 1 1 A 4 4 ASN C C 4 175.200 173.344 1.856 1
1 34 . 8 1 1 A 4 4 ASN CA C 4 53.300 53.016 0.284 1
1 35 . 8 1 1 A 4 4 ASN CB C 4 38.900 41.341 -2.441 1
1 36 . 8 1 1 A 4 4 ASN N N 4 120.200 116.497 3.703 1
1 38 . 8 1 1 A 5 5 THR H H 5 8.130 8.876 -0.746 1
1 39 . 8 1 1 A 5 5 THR HA H 5 4.310 4.136 0.174 1
1 44 . 8 1 1 A 5 5 THR C C 5 173.900 174.202 -0.302 1
1 45 . 8 1 1 A 5 5 THR CA C 5 61.800 64.328 -2.528 1
1 46 . 8 1 1 A 5 5 THR CB C 5 69.500 69.119 0.381 1
1 48 . 8 1 1 A 5 5 THR N N 5 114.900 121.847 -6.947 1
1 49 . 8 1 1 A 6 6 ARG H H 6 8.160 8.417 -0.257 1
1 50 . 8 1 1 A 6 6 ARG HA H 6 4.300 4.507 -0.207 1
1 57 . 8 1 1 A 6 6 ARG C C 6 176.300 175.110 1.190 1
1 58 . 8 1 1 A 6 6 ARG CA C 6 56.300 55.725 0.575 1
1 59 . 8 1 1 A 6 6 ARG CB C 6 30.700 30.358 0.342 1
1 62 . 8 1 1 A 6 6 ARG N N 6 123.600 127.507 -3.907 1
1 63 . 8 1 1 A 7 7 PHE H H 7 8.460 8.641 -0.181 1
1 64 . 8 1 1 A 7 7 PHE HA H 7 4.760 4.854 -0.094 1
1 72 . 8 1 1 A 7 7 PHE C C 7 175.000 175.605 -0.605 1
1 73 . 8 1 1 A 7 7 PHE CA C 7 56.700 56.573 0.127 1
1 74 . 8 1 1 A 7 7 PHE CB C 7 40.300 42.426 -2.126 1
1 80 . 8 1 1 A 7 7 PHE N N 7 121.500 123.273 -1.773 1
1 81 . 8 1 1 A 8 8 SER H H 8 8.520 9.001 -0.481 1
1 82 . 8 1 1 A 8 8 SER HA H 8 4.600 4.493 0.107 1
1 85 . 8 1 1 A 8 8 SER CA C 8 56.700 56.759 -0.059 1
1 86 . 8 1 1 A 8 8 SER CB C 8 62.600 62.925 -0.325 1
1 87 . 8 1 1 A 8 8 SER N N 8 121.500 120.258 1.242 1
1 88 . 8 1 1 A 9 9 PRO HA H 9 3.920 4.242 -0.322 1
1 95 . 8 1 1 A 9 9 PRO C C 9 178.500 178.818 -0.318 1
1 96 . 8 1 1 A 9 9 PRO CA C 9 65.800 65.602 0.198 1
1 97 . 8 1 1 A 9 9 PRO CB C 9 31.500 31.761 -0.261 1
1 100 . 8 1 1 A 10 10 GLU H H 10 8.610 8.309 0.301 1
1 101 . 8 1 1 A 10 10 GLU HA H 10 3.990 4.029 -0.039 1
1 106 . 8 1 1 A 10 10 GLU C C 10 179.100 179.343 -0.243 1
1 107 . 8 1 1 A 10 10 GLU CA C 10 60.000 59.305 0.695 1
1 108 . 8 1 1 A 10 10 GLU CB C 10 28.800 29.366 -0.566 1
1 110 . 8 1 1 A 10 10 GLU N N 10 116.600 117.576 -0.976 1
1 111 . 8 1 1 A 11 11 VAL H H 11 7.510 7.522 -0.012 1
1 112 . 8 1 1 A 11 11 VAL HA H 11 3.610 3.399 0.211 1
1 120 . 8 1 1 A 11 11 VAL C C 11 177.700 177.961 -0.261 1
1 121 . 8 1 1 A 11 11 VAL CA C 11 66.400 66.452 -0.052 1
1 122 . 8 1 1 A 11 11 VAL CB C 11 31.600 31.492 0.108 1
1 125 . 8 1 1 A 11 11 VAL N N 11 122.700 120.763 1.937 1
1 126 . 8 1 1 A 12 12 ARG H H 12 7.800 7.760 0.040 1
1 127 . 8 1 1 A 12 12 ARG HA H 12 3.440 3.345 0.095 1
1 135 . 8 1 1 A 12 12 ARG C C 12 178.000 178.245 -0.245 1
1 136 . 8 1 1 A 12 12 ARG CA C 12 59.300 59.510 -0.210 1
1 137 . 8 1 1 A 12 12 ARG CB C 12 29.600 29.113 0.487 1
1 140 . 8 1 1 A 12 12 ARG N N 12 118.700 119.751 -1.051 1
1 142 . 8 1 1 A 13 13 GLN H H 13 8.050 8.104 -0.054 1
1 143 . 8 1 1 A 13 13 GLN HA H 13 3.860 3.842 0.018 1
1 150 . 8 1 1 A 13 13 GLN C C 13 178.800 178.446 0.354 1
1 151 . 8 1 1 A 13 13 GLN CA C 13 58.600 59.114 -0.514 1
1 152 . 8 1 1 A 13 13 GLN CB C 13 28.300 28.223 0.077 1
1 154 . 8 1 1 A 13 13 GLN N N 13 116.100 118.405 -2.305 1
1 156 . 8 1 1 A 14 14 ARG H H 14 7.750 8.080 -0.330 1
1 157 . 8 1 1 A 14 14 ARG HA H 14 3.970 3.968 0.002 1
1 164 . 8 1 1 A 14 14 ARG C C 14 177.900 178.213 -0.313 1
1 165 . 8 1 1 A 14 14 ARG CA C 14 59.100 59.222 -0.122 1
1 166 . 8 1 1 A 14 14 ARG CB C 14 30.000 29.978 0.022 1
1 169 . 8 1 1 A 14 14 ARG N N 14 120.400 119.689 0.711 1
1 170 . 8 1 1 A 15 15 ALA H H 15 8.500 7.868 0.632 1
1 171 . 8 1 1 A 15 15 ALA HA H 15 4.040 4.063 -0.023 1
1 175 . 8 1 1 A 15 15 ALA C C 15 178.800 179.854 -1.054 1
1 176 . 8 1 1 A 15 15 ALA CA C 15 55.300 55.076 0.224 1
1 177 . 8 1 1 A 15 15 ALA CB C 15 19.700 18.814 0.886 1
1 178 . 8 1 1 A 15 15 ALA N N 15 122.200 122.331 -0.131 1
1 179 . 8 1 1 A 16 16 VAL H H 16 8.230 8.085 0.145 1
1 180 . 8 1 1 A 16 16 VAL HA H 16 3.360 3.352 0.008 1
1 188 . 8 1 1 A 16 16 VAL C C 16 177.700 177.818 -0.118 1
1 189 . 8 1 1 A 16 16 VAL CA C 16 67.100 66.814 0.286 1
1 190 . 8 1 1 A 16 16 VAL CB C 16 31.600 31.331 0.269 1
1 193 . 8 1 1 A 16 16 VAL N N 16 116.500 117.952 -1.452 1
1 194 . 8 1 1 A 17 17 ARG H H 17 7.900 8.253 -0.353 1
1 195 . 8 1 1 A 17 17 ARG HA H 17 3.830 3.837 -0.007 1
1 202 . 8 1 1 A 17 17 ARG C C 17 178.000 178.453 -0.453 1
1 203 . 8 1 1 A 17 17 ARG CA C 17 59.700 59.911 -0.211 1
1 204 . 8 1 1 A 17 17 ARG CB C 17 29.200 30.100 -0.900 1
1 207 . 8 1 1 A 17 17 ARG N N 17 119.000 120.040 -1.040 1
1 208 . 8 1 1 A 18 18 MET H H 18 8.210 8.149 0.061 1
1 209 . 8 1 1 A 18 18 MET HA H 18 4.090 4.190 -0.100 1
1 217 . 8 1 1 A 18 18 MET C C 18 179.400 178.193 1.207 1
1 218 . 8 1 1 A 18 18 MET CA C 18 59.500 58.286 1.214 1
1 219 . 8 1 1 A 18 18 MET CB C 18 33.600 32.214 1.386 1
1 222 . 8 1 1 A 18 18 MET N N 18 117.300 119.132 -1.832 1
1 223 . 8 1 1 A 19 19 VAL H H 19 7.790 8.039 -0.249 1
1 224 . 8 1 1 A 19 19 VAL HA H 19 3.390 3.565 -0.175 1
1 232 . 8 1 1 A 19 19 VAL C C 19 177.200 178.079 -0.879 1
1 233 . 8 1 1 A 19 19 VAL CA C 19 66.100 66.896 -0.796 1
1 234 . 8 1 1 A 19 19 VAL CB C 19 31.600 31.235 0.365 1
1 237 . 8 1 1 A 19 19 VAL N N 19 119.900 119.858 0.042 1
1 238 . 8 1 1 A 20 20 LEU H H 20 8.280 8.093 0.187 1
1 239 . 8 1 1 A 20 20 LEU HA H 20 4.070 3.884 0.186 1
1 249 . 8 1 1 A 20 20 LEU C C 20 180.600 179.525 1.075 1
1 250 . 8 1 1 A 20 20 LEU CA C 20 57.900 58.121 -0.221 1
1 251 . 8 1 1 A 20 20 LEU CB C 20 40.800 41.097 -0.297 1
1 255 . 8 1 1 A 20 20 LEU N N 20 118.400 119.458 -1.058 1
1 256 . 8 1 1 A 21 21 GLU H H 21 8.690 8.414 0.276 1
1 257 . 8 1 1 A 21 21 GLU HA H 21 4.230 3.924 0.306 1
1 262 . 8 1 1 A 21 21 GLU C C 21 178.200 179.631 -1.431 1
1 263 . 8 1 1 A 21 21 GLU CA C 21 57.900 59.791 -1.891 1
1 264 . 8 1 1 A 21 21 GLU CB C 21 29.700 29.212 0.488 1
1 266 . 8 1 1 A 21 21 GLU N N 21 115.900 118.669 -2.769 1
1 267 . 8 1 1 A 22 22 SER H H 22 7.580 8.095 -0.515 1
1 268 . 8 1 1 A 22 22 SER HA H 22 4.790 4.352 0.438 1
1 271 . 8 1 1 A 22 22 SER C C 22 175.200 176.093 -0.893 1
1 272 . 8 1 1 A 22 22 SER CA C 22 59.500 61.263 -1.763 1
1 273 . 8 1 1 A 22 22 SER CB C 22 64.500 63.254 1.246 1
1 274 . 8 1 1 A 22 22 SER N N 22 113.000 116.972 -3.972 1
1 275 . 8 1 1 A 23 23 GLN H H 23 7.780 8.362 -0.582 1
1 276 . 8 1 1 A 23 23 GLN HA H 23 4.800 4.189 0.611 1
1 283 . 8 1 1 A 23 23 GLN C C 23 177.100 178.015 -0.915 1
1 284 . 8 1 1 A 23 23 GLN CA C 23 57.800 59.483 -1.683 1
1 285 . 8 1 1 A 23 23 GLN CB C 23 28.100 28.838 -0.738 1
1 287 . 8 1 1 A 23 23 GLN N N 23 119.900 121.453 -1.553 1
1 289 . 8 1 1 A 24 24 GLY H H 24 8.680 7.975 0.705 1
1 290 . 8 1 1 A 24 24 GLY HA2 H 24 3.860 3.999 -0.139 1
1 291 . 8 1 1 A 24 24 GLY HA3 H 24 4.110 4.001 0.109 1
1 292 . 8 1 1 A 24 24 GLY C C 24 175.100 174.863 0.237 1
1 293 . 8 1 1 A 24 24 GLY CA C 24 45.900 46.516 -0.616 1
1 294 . 8 1 1 A 24 24 GLY N N 24 108.500 107.010 1.490 1
1 295 . 8 1 1 A 25 25 GLU H H 25 8.110 8.174 -0.064 1
1 296 . 8 1 1 A 25 25 GLU HA H 25 4.210 4.589 -0.379 1
1 301 . 8 1 1 A 25 25 GLU C C 25 175.400 176.274 -0.874 1
1 302 . 8 1 1 A 25 25 GLU CA C 25 56.100 57.377 -1.277 1
1 303 . 8 1 1 A 25 25 GLU CB C 25 29.700 32.584 -2.884 1
1 305 . 8 1 1 A 25 25 GLU N N 25 118.200 119.338 -1.138 1
1 306 . 8 1 1 A 26 26 TYR H H 26 7.690 7.429 0.261 1
1 307 . 8 1 1 A 26 26 TYR HA H 26 4.690 4.554 0.136 1
1 314 . 8 1 1 A 26 26 TYR C C 26 175.800 176.488 -0.688 1
1 315 . 8 1 1 A 26 26 TYR CA C 26 57.000 58.773 -1.773 1
1 316 . 8 1 1 A 26 26 TYR CB C 26 42.200 39.317 2.883 1
1 321 . 8 1 1 A 26 26 TYR N N 26 117.700 119.128 -1.428 1
1 322 . 8 1 1 A 27 27 ASP H H 27 8.850 9.059 -0.209 1
1 323 . 8 1 1 A 27 27 ASP HA H 27 4.520 4.597 -0.077 1
1 326 . 8 1 1 A 27 27 ASP C C 27 175.900 176.150 -0.250 1
1 327 . 8 1 1 A 27 27 ASP CA C 27 55.400 55.430 -0.030 1
1 328 . 8 1 1 A 27 27 ASP CB C 27 41.200 41.489 -0.289 1
1 329 . 8 1 1 A 27 27 ASP N N 27 117.500 121.650 -4.150 1
1 330 . 8 1 1 A 28 28 SER H H 28 7.550 7.790 -0.240 1
1 331 . 8 1 1 A 28 28 SER HA H 28 4.740 4.962 -0.222 1
1 334 . 8 1 1 A 28 28 SER CA C 28 57.200 56.044 1.156 1
1 335 . 8 1 1 A 28 28 SER CB C 28 65.800 67.118 -1.318 1
1 336 . 8 1 1 A 28 28 SER N N 28 109.000 111.088 -2.088 1
1 337 . 8 1 1 A 29 29 GLN HA H 29 3.950 3.862 0.088 1
1 344 . 8 1 1 A 29 29 GLN C C 29 178.100 177.433 0.667 1
1 345 . 8 1 1 A 29 29 GLN CA C 29 60.200 58.810 1.390 1
1 346 . 8 1 1 A 29 29 GLN CB C 29 29.900 27.880 2.020 1
1 349 . 8 1 1 A 30 30 TRP H H 30 9.010 8.244 0.766 1
1 350 . 8 1 1 A 30 30 TRP HA H 30 4.720 4.389 0.331 1
1 359 . 8 1 1 A 30 30 TRP C C 30 177.100 178.700 -1.600 1
1 360 . 8 1 1 A 30 30 TRP CA C 30 59.300 59.998 -0.698 1
1 361 . 8 1 1 A 30 30 TRP CB C 30 30.000 29.172 0.828 1
1 367 . 8 1 1 A 30 30 TRP N N 30 121.400 120.872 0.528 1
1 369 . 8 1 1 A 31 31 ALA H H 31 8.360 8.271 0.089 1
1 370 . 8 1 1 A 31 31 ALA HA H 31 3.790 4.024 -0.234 1
1 374 . 8 1 1 A 31 31 ALA C C 31 180.300 179.574 0.726 1
1 375 . 8 1 1 A 31 31 ALA CA C 31 55.300 55.136 0.164 1
1 376 . 8 1 1 A 31 31 ALA CB C 31 18.200 18.000 0.200 1
1 377 . 8 1 1 A 31 31 ALA N N 31 121.600 122.160 -0.560 1
1 378 . 8 1 1 A 32 32 THR H H 32 7.420 7.328 0.092 1
1 379 . 8 1 1 A 32 32 THR HA H 32 2.620 3.113 -0.493 1
1 384 . 8 1 1 A 32 32 THR C C 32 176.700 176.062 0.638 1
1 385 . 8 1 1 A 32 32 THR CA C 32 66.200 66.780 -0.580 1
1 386 . 8 1 1 A 32 32 THR CB C 32 67.800 68.116 -0.316 1
1 388 . 8 1 1 A 32 32 THR N N 32 115.700 114.097 1.603 1
1 389 . 8 1 1 A 33 33 ILE H H 33 8.490 8.123 0.367 1
1 390 . 8 1 1 A 33 33 ILE HA H 33 3.180 3.566 -0.386 1
1 400 . 8 1 1 A 33 33 ILE C C 33 177.300 177.891 -0.591 1
1 401 . 8 1 1 A 33 33 ILE CA C 33 65.900 65.049 0.851 1
1 402 . 8 1 1 A 33 33 ILE CB C 33 37.700 37.622 0.078 1
1 406 . 8 1 1 A 33 33 ILE N N 33 124.100 120.595 3.505 1
1 407 . 8 1 1 A 34 34 CYS H H 34 8.060 8.060 0.000 1
1 408 . 8 1 1 A 34 34 CYS HA H 34 3.610 4.248 -0.638 1
1 411 . 8 1 1 A 34 34 CYS C C 34 175.800 175.310 0.490 1
1 412 . 8 1 1 A 34 34 CYS CA C 34 63.800 61.569 2.231 1
1 413 . 8 1 1 A 34 34 CYS CB C 34 26.400 26.587 -0.187 1
1 414 . 8 1 1 A 34 34 CYS N N 34 115.900 119.072 -3.172 1
1 415 . 8 1 1 A 35 35 SER H H 35 7.150 7.692 -0.542 1
1 416 . 8 1 1 A 35 35 SER HA H 35 4.260 4.472 -0.212 1
1 419 . 8 1 1 A 35 35 SER C C 35 175.500 175.480 0.020 1
1 420 . 8 1 1 A 35 35 SER CA C 35 60.200 61.306 -1.106 1
1 421 . 8 1 1 A 35 35 SER CB C 35 63.600 63.571 0.029 1
1 422 . 8 1 1 A 35 35 SER N N 35 113.600 117.126 -3.526 1
1 423 . 8 1 1 A 36 36 ILE H H 36 7.650 8.075 -0.425 1
1 424 . 8 1 1 A 36 36 ILE HA H 36 3.850 3.826 0.024 1
1 434 . 8 1 1 A 36 36 ILE C C 36 176.900 177.787 -0.887 1
1 435 . 8 1 1 A 36 36 ILE CA C 36 61.700 64.377 -2.677 1
1 436 . 8 1 1 A 36 36 ILE CB C 36 37.700 36.781 0.919 1
1 440 . 8 1 1 A 36 36 ILE N N 36 120.700 121.925 -1.225 1
1 441 . 8 1 1 A 37 37 ALA H H 37 8.200 8.552 -0.352 1
1 442 . 8 1 1 A 37 37 ALA HA H 37 3.860 3.987 -0.127 1
1 446 . 8 1 1 A 37 37 ALA CA C 37 57.400 57.156 0.244 1
1 447 . 8 1 1 A 37 37 ALA CB C 37 14.900 16.928 -2.028 1
1 448 . 8 1 1 A 37 37 ALA N N 37 122.200 123.479 -1.279 1
1 449 . 8 1 1 A 38 38 PRO HA H 38 4.470 4.336 0.134 1
1 456 . 8 1 1 A 38 38 PRO C C 38 178.800 178.837 -0.037 1
1 457 . 8 1 1 A 38 38 PRO CA C 38 65.600 65.118 0.482 1
1 458 . 8 1 1 A 38 38 PRO CB C 38 31.000 30.994 0.006 1
1 461 . 8 1 1 A 39 39 LYS H H 39 7.680 7.908 -0.228 1
1 462 . 8 1 1 A 39 39 LYS HA H 39 4.150 4.089 0.061 1
1 471 . 8 1 1 A 39 39 LYS C C 39 177.800 178.936 -1.136 1
1 472 . 8 1 1 A 39 39 LYS CA C 39 58.000 59.561 -1.561 1
1 473 . 8 1 1 A 39 39 LYS CB C 39 31.800 32.344 -0.544 1
1 477 . 8 1 1 A 39 39 LYS N N 39 115.500 118.262 -2.762 1
1 478 . 8 1 1 A 40 40 ILE H H 40 7.540 7.708 -0.168 1
1 479 . 8 1 1 A 40 40 ILE HA H 40 4.130 3.998 0.132 1
1 489 . 8 1 1 A 40 40 ILE C C 40 176.500 176.443 0.057 1
1 490 . 8 1 1 A 40 40 ILE CA C 40 59.600 62.871 -3.271 1
1 491 . 8 1 1 A 40 40 ILE CB C 40 37.300 38.552 -1.252 1
1 495 . 8 1 1 A 40 40 ILE N N 40 117.500 117.565 -0.065 1
1 496 . 8 1 1 A 41 41 GLY H H 41 8.430 8.628 -0.198 1
1 497 . 8 1 1 A 41 41 GLY HA2 H 41 4.550 4.007 0.543 1
1 498 . 8 1 1 A 41 41 GLY HA3 H 41 3.790 4.022 -0.232 1
1 499 . 8 1 1 A 41 41 GLY C C 41 173.900 173.692 0.208 1
1 500 . 8 1 1 A 41 41 GLY CA C 41 44.900 46.424 -1.524 1
1 501 . 8 1 1 A 41 41 GLY N N 41 105.100 108.499 -3.399 1
1 502 . 8 1 1 A 42 42 CYS H H 42 7.360 7.730 -0.370 1
1 503 . 8 1 1 A 42 42 CYS HA H 42 5.220 5.017 0.203 1
1 506 . 8 1 1 A 42 42 CYS C C 42 173.100 173.202 -0.102 1
1 507 . 8 1 1 A 42 42 CYS CA C 42 53.300 57.658 -4.358 1
1 508 . 8 1 1 A 42 42 CYS CB C 42 31.700 30.701 0.999 1
1 509 . 8 1 1 A 42 42 CYS N N 42 115.400 115.468 -0.068 1
1 510 . 8 1 1 A 43 43 THR H H 43 8.550 8.342 0.208 1
1 511 . 8 1 1 A 43 43 THR HA H 43 4.560 4.292 0.268 1
1 516 . 8 1 1 A 43 43 THR CA C 43 59.800 61.258 -1.458 1
1 517 . 8 1 1 A 43 43 THR CB C 43 68.500 69.157 -0.657 1
1 519 . 8 1 1 A 43 43 THR N N 43 111.500 117.337 -5.837 1
1 520 . 8 1 1 A 44 44 PRO HA H 44 3.680 4.151 -0.471 1
1 527 . 8 1 1 A 44 44 PRO C C 44 177.300 178.849 -1.549 1
1 528 . 8 1 1 A 44 44 PRO CA C 44 65.200 65.621 -0.421 1
1 529 . 8 1 1 A 44 44 PRO CB C 44 32.400 31.655 0.745 1
1 532 . 8 1 1 A 45 45 GLU H H 45 8.900 8.434 0.466 1
1 533 . 8 1 1 A 45 45 GLU HA H 45 3.990 4.004 -0.014 1
1 538 . 8 1 1 A 45 45 GLU C C 45 179.000 179.229 -0.229 1
1 539 . 8 1 1 A 45 45 GLU CA C 45 61.300 59.236 2.064 1
1 540 . 8 1 1 A 45 45 GLU CB C 45 28.200 29.044 -0.844 1
1 542 . 8 1 1 A 45 45 GLU N N 45 117.100 117.762 -0.662 1
1 543 . 8 1 1 A 46 46 THR H H 46 7.680 7.845 -0.165 1
1 544 . 8 1 1 A 46 46 THR HA H 46 3.560 3.756 -0.196 1
1 549 . 8 1 1 A 46 46 THR C C 46 173.800 175.616 -1.816 1
1 550 . 8 1 1 A 46 46 THR CA C 46 66.300 66.604 -0.304 1
1 551 . 8 1 1 A 46 46 THR CB C 46 68.000 67.128 0.872 1
1 553 . 8 1 1 A 46 46 THR N N 46 118.800 118.319 0.481 1
1 554 . 8 1 1 A 47 47 LEU H H 47 7.040 7.866 -0.826 1
1 555 . 8 1 1 A 47 47 LEU HA H 47 3.170 3.526 -0.356 1
1 565 . 8 1 1 A 47 47 LEU C C 47 177.500 178.331 -0.831 1
1 566 . 8 1 1 A 47 47 LEU CA C 47 56.800 57.801 -1.001 1
1 567 . 8 1 1 A 47 47 LEU CB C 47 40.500 41.461 -0.961 1
1 571 . 8 1 1 A 47 47 LEU N N 47 120.600 120.959 -0.359 1
1 572 . 8 1 1 A 48 48 ARG H H 48 8.430 7.600 0.830 1
1 573 . 8 1 1 A 48 48 ARG HA H 48 3.880 3.880 0.000 1
1 580 . 8 1 1 A 48 48 ARG C C 48 177.400 178.608 -1.208 1
1 581 . 8 1 1 A 48 48 ARG CA C 48 60.200 58.956 1.244 1
1 582 . 8 1 1 A 48 48 ARG CB C 48 30.500 29.643 0.857 1
1 585 . 8 1 1 A 48 48 ARG N N 48 118.200 119.348 -1.148 1
1 586 . 8 1 1 A 49 49 VAL H H 49 7.400 7.780 -0.380 1
1 587 . 8 1 1 A 49 49 VAL HA H 49 3.630 3.636 -0.006 1
1 595 . 8 1 1 A 49 49 VAL C C 49 178.900 178.018 0.882 1
1 596 . 8 1 1 A 49 49 VAL CA C 49 67.200 66.260 0.940 1
1 597 . 8 1 1 A 49 49 VAL CB C 49 30.700 31.387 -0.687 1
1 600 . 8 1 1 A 49 49 VAL N N 49 120.300 119.097 1.203 1
1 601 . 8 1 1 A 50 50 TRP H H 50 7.850 7.859 -0.009 1
1 602 . 8 1 1 A 50 50 TRP HA H 50 4.740 4.413 0.327 1
1 611 . 8 1 1 A 50 50 TRP C C 50 180.400 179.072 1.328 1
1 612 . 8 1 1 A 50 50 TRP CA C 50 57.800 59.979 -2.179 1
1 613 . 8 1 1 A 50 50 TRP CB C 50 28.700 29.125 -0.425 1
1 619 . 8 1 1 A 50 50 TRP N N 50 120.300 119.917 0.383 1
1 621 . 8 1 1 A 51 51 VAL H H 51 8.820 8.159 0.661 1
1 622 . 8 1 1 A 51 51 VAL HA H 51 3.690 3.655 0.035 1
1 630 . 8 1 1 A 51 51 VAL C C 51 177.700 177.892 -0.192 1
1 631 . 8 1 1 A 51 51 VAL CA C 51 66.800 66.705 0.095 1
1 632 . 8 1 1 A 51 51 VAL CB C 51 32.000 31.484 0.516 1
1 635 . 8 1 1 A 51 51 VAL N N 51 121.300 119.853 1.447 1
1 636 . 8 1 1 A 52 52 ARG H H 52 8.740 8.460 0.280 1
1 637 . 8 1 1 A 52 52 ARG HA H 52 4.260 3.940 0.320 1
1 644 . 8 1 1 A 52 52 ARG C C 52 179.500 178.686 0.814 1
1 645 . 8 1 1 A 52 52 ARG CA C 52 58.900 60.010 -1.110 1
1 646 . 8 1 1 A 52 52 ARG CB C 52 29.900 30.022 -0.122 1
1 649 . 8 1 1 A 52 52 ARG N N 52 120.200 119.748 0.452 1
1 650 . 8 1 1 A 53 53 GLN H H 53 8.540 8.244 0.296 1
1 651 . 8 1 1 A 53 53 GLN HA H 53 4.050 4.085 -0.035 1
1 658 . 8 1 1 A 53 53 GLN C C 53 177.600 178.172 -0.572 1
1 659 . 8 1 1 A 53 53 GLN CA C 53 58.700 58.972 -0.272 1
1 660 . 8 1 1 A 53 53 GLN CB C 53 28.100 28.425 -0.325 1
1 662 . 8 1 1 A 53 53 GLN N N 53 119.100 119.208 -0.108 1
1 664 . 8 1 1 A 54 54 HIS H H 54 8.010 8.337 -0.327 1
1 665 . 8 1 1 A 54 54 HIS HA H 54 4.410 4.232 0.178 1
1 668 . 8 1 1 A 54 54 HIS C C 54 177.800 177.228 0.572 1
1 669 . 8 1 1 A 54 54 HIS CA C 54 59.700 60.188 -0.488 1
1 670 . 8 1 1 A 54 54 HIS CB C 54 30.600 29.670 0.930 1
1 671 . 8 1 1 A 54 54 HIS N N 54 119.300 119.748 -0.448 1
1 672 . 8 1 1 A 55 55 GLU H H 55 8.460 8.209 0.251 1
1 673 . 8 1 1 A 55 55 GLU HA H 55 3.940 3.907 0.033 1
1 678 . 8 1 1 A 55 55 GLU C C 55 178.400 179.313 -0.913 1
1 679 . 8 1 1 A 55 55 GLU CA C 55 58.800 59.042 -0.242 1
1 680 . 8 1 1 A 55 55 GLU CB C 55 29.800 29.668 0.132 1
1 682 . 8 1 1 A 55 55 GLU N N 55 119.700 119.379 0.321 1
1 683 . 8 1 1 A 56 56 ARG H H 56 7.990 8.423 -0.433 1
1 684 . 8 1 1 A 56 56 ARG HA H 56 4.160 4.103 0.057 1
1 691 . 8 1 1 A 56 56 ARG C C 56 177.800 178.633 -0.833 1
1 692 . 8 1 1 A 56 56 ARG CA C 56 58.100 59.267 -1.167 1
1 693 . 8 1 1 A 56 56 ARG CB C 56 30.100 29.872 0.228 1
1 696 . 8 1 1 A 56 56 ARG N N 56 119.200 119.719 -0.519 1
1 697 . 8 1 1 A 57 57 ASP H H 57 8.300 7.855 0.445 1
1 698 . 8 1 1 A 57 57 ASP HA H 57 4.550 4.432 0.118 1
1 701 . 8 1 1 A 57 57 ASP C C 57 177.400 176.384 1.016 1
1 702 . 8 1 1 A 57 57 ASP CA C 57 55.800 55.908 -0.108 1
1 703 . 8 1 1 A 57 57 ASP CB C 57 40.800 40.828 -0.028 1
1 704 . 8 1 1 A 57 57 ASP N N 57 120.000 119.207 0.793 1
1 705 . 8 1 1 A 58 58 THR H H 58 7.890 7.566 0.324 1
1 706 . 8 1 1 A 58 58 THR HA H 58 4.310 4.258 0.052 1
1 711 . 8 1 1 A 58 58 THR C C 58 175.500 174.435 1.065 1
1 712 . 8 1 1 A 58 58 THR CA C 58 62.200 62.056 0.144 1
1 713 . 8 1 1 A 58 58 THR CB C 58 69.800 68.415 1.385 1
1 715 . 8 1 1 A 58 58 THR N N 58 111.300 114.169 -2.869 1
1 716 . 8 1 1 A 59 59 GLY H H 59 8.070 8.562 -0.492 1
1 717 . 8 1 1 A 59 59 GLY HA2 H 59 4.010 4.053 -0.043 1
1 718 . 8 1 1 A 59 59 GLY HA3 H 59 4.010 4.055 -0.045 1
1 719 . 8 1 1 A 59 59 GLY C C 59 174.700 174.843 -0.143 1
1 720 . 8 1 1 A 59 59 GLY CA C 59 45.600 45.314 0.286 1
1 721 . 8 1 1 A 59 59 GLY N N 59 110.600 113.520 -2.920 1
1 722 . 8 1 1 A 60 60 GLY H H 60 8.260 8.237 0.023 1
1 723 . 8 1 1 A 60 60 GLY HA2 H 60 3.990 4.160 -0.170 1
1 724 . 8 1 1 A 60 60 GLY HA3 H 60 3.990 4.163 -0.173 1
1 725 . 8 1 1 A 60 60 GLY C C 60 173.900 174.518 -0.618 1
1 726 . 8 1 1 A 60 60 GLY CA C 60 45.100 45.180 -0.080 1
1 727 . 8 1 1 A 60 60 GLY N N 60 108.700 110.830 -2.130 1
1 728 . 8 1 1 A 61 61 ASP H H 61 8.320 8.364 -0.044 1
1 729 . 8 1 1 A 61 61 ASP HA H 61 4.650 4.424 0.226 1
1 732 . 8 1 1 A 61 61 ASP C C 61 176.200 176.524 -0.324 1
1 733 . 8 1 1 A 61 61 ASP CA C 61 54.200 54.558 -0.358 1
1 734 . 8 1 1 A 61 61 ASP CB C 61 41.300 39.069 2.231 1
1 735 . 8 1 1 A 61 61 ASP N N 61 120.500 119.013 1.487 1
1 736 . 8 1 1 A 62 62 ASP H H 62 8.400 7.917 0.483 1
1 737 . 8 1 1 A 62 62 ASP HA H 62 4.600 4.502 0.098 1
1 740 . 8 1 1 A 62 62 ASP C C 62 177.100 176.738 0.362 1
1 741 . 8 1 1 A 62 62 ASP CA C 62 54.200 53.495 0.705 1
1 742 . 8 1 1 A 62 62 ASP CB C 62 41.100 39.976 1.124 1
1 743 . 8 1 1 A 62 62 ASP N N 62 121.100 117.101 3.999 1
1 744 . 8 1 1 A 63 63 GLY H H 63 8.500 7.597 0.903 1
1 745 . 8 1 1 A 63 63 GLY HA2 H 63 3.950 3.930 0.020 1
1 746 . 8 1 1 A 63 63 GLY HA3 H 63 3.950 3.930 0.020 1
1 747 . 8 1 1 A 63 63 GLY C C 63 175.000 174.964 0.036 1
1 748 . 8 1 1 A 63 63 GLY CA C 63 45.700 46.758 -1.058 1
1 749 . 8 1 1 A 63 63 GLY N N 63 109.400 109.054 0.346 1
1 750 . 8 1 1 A 64 64 GLY H H 64 8.360 8.026 0.334 1
1 751 . 8 1 1 A 64 64 GLY HA2 H 64 3.950 3.832 0.118 1
1 752 . 8 1 1 A 64 64 GLY HA3 H 64 3.950 3.832 0.118 1
1 753 . 8 1 1 A 64 64 GLY C C 64 174.300 174.996 -0.696 1
1 754 . 8 1 1 A 64 64 GLY CA C 64 45.300 46.032 -0.732 1
1 755 . 8 1 1 A 64 64 GLY N N 64 108.700 108.972 -0.272 1
1 756 . 8 1 1 A 65 65 LEU H H 65 8.020 8.668 -0.648 1
1 757 . 8 1 1 A 65 65 LEU HA H 65 4.460 4.150 0.310 1
1 767 . 8 1 1 A 65 65 LEU C C 65 178.000 176.901 1.099 1
1 768 . 8 1 1 A 65 65 LEU CA C 65 55.200 55.824 -0.624 1
1 769 . 8 1 1 A 65 65 LEU CB C 65 42.700 40.707 1.993 1
1 773 . 8 1 1 A 65 65 LEU N N 65 121.300 119.940 1.360 1
1 774 . 8 1 1 A 66 66 THR H H 66 8.470 8.639 -0.169 1
1 775 . 8 1 1 A 66 66 THR HA H 66 4.440 4.344 0.096 1
1 780 . 8 1 1 A 66 66 THR C C 66 175.200 176.179 -0.979 1
1 781 . 8 1 1 A 66 66 THR CA C 66 61.600 64.247 -2.647 1
1 782 . 8 1 1 A 66 66 THR CB C 66 70.200 69.088 1.112 1
1 784 . 8 1 1 A 66 66 THR N N 66 114.300 119.083 -4.783 1
1 785 . 8 1 1 A 67 67 THR H H 67 8.370 7.955 0.415 1
1 786 . 8 1 1 A 67 67 THR HA H 67 4.110 4.001 0.109 1
1 791 . 8 1 1 A 67 67 THR C C 67 175.300 174.592 0.708 1
1 792 . 8 1 1 A 67 67 THR CA C 67 63.900 64.522 -0.622 1
1 793 . 8 1 1 A 67 67 THR CB C 67 69.100 69.078 0.022 1
1 795 . 8 1 1 A 67 67 THR N N 67 116.600 115.457 1.143 1
1 796 . 8 1 1 A 68 68 ALA H H 68 8.340 7.575 0.765 1
1 797 . 8 1 1 A 68 68 ALA HA H 68 4.220 4.420 -0.200 1
1 801 . 8 1 1 A 68 68 ALA C C 68 179.100 175.689 3.411 1
1 802 . 8 1 1 A 68 68 ALA CA C 68 53.800 51.157 2.643 1
1 803 . 8 1 1 A 68 68 ALA CB C 68 18.700 18.422 0.278 1
1 804 . 8 1 1 A 68 68 ALA N N 68 124.500 121.143 3.357 1
1 805 . 8 1 1 A 69 69 GLU H H 69 8.090 8.583 -0.493 1
1 806 . 8 1 1 A 69 69 GLU HA H 69 4.140 4.542 -0.402 1
1 811 . 8 1 1 A 69 69 GLU C C 69 177.800 177.186 0.614 1
1 812 . 8 1 1 A 69 69 GLU CA C 69 57.700 55.778 1.922 1
1 813 . 8 1 1 A 69 69 GLU CB C 69 30.100 31.288 -1.188 1
1 815 . 8 1 1 A 69 69 GLU N N 69 119.000 122.365 -3.365 1
1 816 . 8 1 1 A 70 70 ARG H H 70 8.300 9.036 -0.736 1
1 817 . 8 1 1 A 70 70 ARG HA H 70 4.140 4.096 0.044 1
1 824 . 8 1 1 A 70 70 ARG C C 70 177.400 176.621 0.779 1
1 825 . 8 1 1 A 70 70 ARG CA C 70 57.500 57.447 0.053 1
1 826 . 8 1 1 A 70 70 ARG CB C 70 30.300 30.230 0.070 1
1 829 . 8 1 1 A 70 70 ARG N N 70 120.400 123.697 -3.297 1
1 830 . 8 1 1 A 71 71 GLN H H 71 8.200 7.845 0.355 1
1 831 . 8 1 1 A 71 71 GLN HA H 71 4.200 4.200 0.000 1
1 838 . 8 1 1 A 71 71 GLN C C 71 176.600 175.586 1.014 1
1 839 . 8 1 1 A 71 71 GLN CA C 71 56.800 57.765 -0.965 1
1 840 . 8 1 1 A 71 71 GLN CB C 71 28.900 29.403 -0.503 1
1 842 . 8 1 1 A 71 71 GLN N N 71 119.500 118.468 1.032 1
1 844 . 8 1 1 A 72 72 ARG H H 72 7.990 7.510 0.480 1
1 845 . 8 1 1 A 72 72 ARG HA H 72 4.240 4.910 -0.670 1
1 847 . 8 1 1 A 72 72 ARG C C 72 176.600 175.329 1.271 1
1 848 . 8 1 1 A 72 72 ARG CA C 72 56.900 54.861 2.039 1
1 849 . 8 1 1 A 72 72 ARG CB C 72 30.500 32.578 -2.078 1
1 852 . 8 1 1 A 72 72 ARG N N 72 120.600 116.111 4.489 1
1 853 . 8 1 1 A 73 73 LEU H H 73 7.980 8.843 -0.863 1
1 854 . 8 1 1 A 73 73 LEU HA H 73 4.280 4.547 -0.267 1
1 864 . 8 1 1 A 73 73 LEU C C 73 177.100 175.247 1.853 1
1 865 . 8 1 1 A 73 73 LEU CA C 73 55.300 54.587 0.713 1
1 866 . 8 1 1 A 73 73 LEU CB C 73 42.200 40.957 1.243 1
1 870 . 8 1 1 A 73 73 LEU N N 73 121.400 124.620 -3.220 1
1 871 . 8 1 1 A 74 74 LYS H H 74 8.050 8.751 -0.701 1
1 872 . 8 1 1 A 74 74 LYS HA H 74 4.300 4.658 -0.358 1
1 881 . 8 1 1 A 74 74 LYS C C 74 176.100 175.016 1.084 1
1 882 . 8 1 1 A 74 74 LYS CA C 74 56.000 55.182 0.818 1
1 883 . 8 1 1 A 74 74 LYS CB C 74 33.000 31.341 1.659 1
1 887 . 8 1 1 A 74 74 LYS N N 74 121.000 126.373 -5.373 1
1 888 . 8 1 1 A 75 75 GLU H H 75 8.360 8.220 0.140 1
1 889 . 8 1 1 A 75 75 GLU HA H 75 4.550 4.755 -0.205 1
1 894 . 8 1 1 A 75 75 GLU CA C 75 54.400 53.373 1.027 1
1 895 . 8 1 1 A 75 75 GLU CB C 75 29.600 33.286 -3.686 1
1 897 . 8 1 1 A 75 75 GLU N N 75 123.800 123.721 0.079 1
1 898 . 8 1 1 A 76 76 PRO HA H 76 4.410 4.417 -0.007 1
1 905 . 8 1 1 A 76 76 PRO C C 76 177.000 176.514 0.486 1
1 906 . 8 1 1 A 76 76 PRO CA C 76 63.300 64.990 -1.690 1
1 907 . 8 1 1 A 76 76 PRO CB C 76 32.000 31.881 0.119 1
1 910 . 8 1 1 A 77 77 GLU H H 77 8.580 8.445 0.135 1
1 911 . 8 1 1 A 77 77 GLU HA H 77 4.220 4.611 -0.391 1
1 916 . 8 1 1 A 77 77 GLU C C 77 176.700 175.651 1.049 1
1 917 . 8 1 1 A 77 77 GLU CA C 77 56.800 55.830 0.970 1
1 918 . 8 1 1 A 77 77 GLU CB C 77 29.900 29.959 -0.059 1
1 920 . 8 1 1 A 77 77 GLU N N 77 120.800 118.513 2.287 1
1 921 . 8 1 1 A 78 78 ARG H H 78 8.330 8.950 -0.620 1
1 922 . 8 1 1 A 78 78 ARG HA H 78 4.270 4.655 -0.385 1
1 925 . 8 1 1 A 78 78 ARG C C 78 176.500 175.558 0.942 1
1 926 . 8 1 1 A 78 78 ARG CA C 78 56.700 57.163 -0.463 1
1 927 . 8 1 1 A 78 78 ARG CB C 78 30.600 33.274 -2.674 1
1 930 . 8 1 1 A 78 78 ARG N N 78 122.000 125.412 -3.412 1
1 931 . 8 1 1 A 79 79 GLU H H 79 8.020 7.727 0.293 1
1 932 . 8 1 1 A 79 79 GLU HA H 79 4.230 4.783 -0.553 1
1 937 . 8 1 1 A 79 79 GLU C C 79 176.100 174.967 1.133 1
1 938 . 8 1 1 A 79 79 GLU CA C 79 56.500 55.203 1.297 1
1 939 . 8 1 1 A 79 79 GLU CB C 79 30.200 32.777 -2.577 1
1 941 . 8 1 1 A 79 79 GLU N N 79 121.900 117.252 4.648 1
1 942 . 8 1 1 A 80 80 ASN H H 80 8.510 9.168 -0.658 1
1 943 . 8 1 1 A 80 80 ASN HA H 80 4.690 5.533 -0.843 1
1 948 . 8 1 1 A 80 80 ASN C C 80 175.400 173.447 1.953 1
1 949 . 8 1 1 A 80 80 ASN CA C 80 53.300 51.262 2.038 1
1 950 . 8 1 1 A 80 80 ASN CB C 80 38.500 42.072 -3.572 1
1 951 . 8 1 1 A 80 80 ASN N N 80 120.000 120.417 -0.417 1
1 953 . 8 1 1 A 81 81 ARG H H 81 8.400 8.667 -0.267 1
1 954 . 8 1 1 A 81 81 ARG HA H 81 4.250 4.487 -0.237 1
1 961 . 8 1 1 A 81 81 ARG C C 81 175.600 176.590 -0.990 1
1 962 . 8 1 1 A 81 81 ARG CA C 81 56.500 55.485 1.015 1
1 963 . 8 1 1 A 81 81 ARG CB C 81 30.800 31.533 -0.733 1
1 966 . 8 1 1 A 81 81 ARG N N 81 121.900 124.511 -2.611 1
1 967 . 8 1 1 A 82 82 GLU H H 82 8.410 8.672 -0.262 1
1 968 . 8 1 1 A 82 82 GLU HA H 82 4.240 4.264 -0.024 1
1 973 . 8 1 1 A 82 82 GLU C C 82 176.400 178.064 -1.664 1
1 974 . 8 1 1 A 82 82 GLU CA C 82 56.700 57.371 -0.671 1
1 975 . 8 1 1 A 82 82 GLU CB C 82 29.900 30.329 -0.429 1
1 977 . 8 1 1 A 82 82 GLU N N 82 120.900 124.761 -3.861 1
1 978 . 8 1 1 A 83 83 LEU H H 83 8.120 8.562 -0.442 1
1 979 . 8 1 1 A 83 83 LEU HA H 83 4.310 4.009 0.301 1
1 988 . 8 1 1 A 83 83 LEU C C 83 177.100 177.485 -0.385 1
1 989 . 8 1 1 A 83 83 LEU CA C 83 55.200 57.675 -2.475 1
1 990 . 8 1 1 A 83 83 LEU CB C 83 42.100 41.904 0.196 1
1 994 . 8 1 1 A 83 83 LEU N N 83 122.800 123.359 -0.559 1
1 995 . 8 1 1 A 84 84 ARG H H 84 8.260 8.179 0.081 1
1 996 . 8 1 1 A 84 84 ARG HA H 84 4.340 4.410 -0.070 1
1 999 . 8 1 1 A 84 84 ARG C C 84 176.000 176.080 -0.080 1
1 1000 . 8 1 1 A 84 84 ARG CA C 84 55.900 55.656 0.244 1
1 1001 . 8 1 1 A 84 84 ARG CB C 84 30.600 29.313 1.287 1
1 1004 . 8 1 1 A 84 84 ARG N N 84 121.800 116.815 4.985 1
1 1005 . 8 1 1 A 85 85 ARG H H 85 8.390 8.000 0.390 1
1 1006 . 8 1 1 A 85 85 ARG HA H 85 4.390 4.065 0.325 1
1 1009 . 8 1 1 A 85 85 ARG C C 85 176.100 178.109 -2.009 1
1 1010 . 8 1 1 A 85 85 ARG CA C 85 56.000 58.725 -2.725 1
1 1011 . 8 1 1 A 85 85 ARG CB C 85 31.000 30.416 0.584 1
1 1014 . 8 1 1 A 85 85 ARG N N 85 122.800 123.774 -0.974 1
1 1015 . 8 1 1 A 86 86 SER H H 86 8.430 7.802 0.628 1
1 1016 . 8 1 1 A 86 86 SER HA H 86 4.470 4.571 -0.101 1
1 1019 . 8 1 1 A 86 86 SER C C 86 173.300 174.128 -0.828 1
1 1020 . 8 1 1 A 86 86 SER CA C 86 58.200 59.213 -1.013 1
1 1021 . 8 1 1 A 86 86 SER CB C 86 64.000 64.482 -0.482 1
1 1022 . 8 1 1 A 86 86 SER N N 86 117.500 112.228 5.272 1
1 1023 . 8 1 1 A 87 87 ASN H H 87 8.120 7.880 0.240 1
1 1024 . 8 1 1 A 87 87 ASN HA H 87 4.470 5.062 -0.592 1
1 1029 . 8 1 1 A 87 87 ASN CA C 87 54.800 52.019 2.781 1
1 1030 . 8 1 1 A 87 87 ASN CB C 87 40.100 40.097 0.003 1
1 1031 . 8 1 1 A 87 87 ASN N N 87 125.900 118.697 7.203 1
1 1033 . 8 1 1 A 88 88 ASP HA H 88 4.640 4.859 -0.219 1
1 1036 . 8 1 1 A 88 88 ASP C C 88 175.700 175.737 -0.037 1
1 1037 . 8 1 1 A 88 88 ASP CA C 88 54.500 53.839 0.661 1
1 1038 . 8 1 1 A 88 88 ASP CB C 88 41.100 42.729 -1.629 1
1 1039 . 8 1 1 A 89 89 ILE H H 89 8.000 7.710 0.290 1
1 1040 . 8 1 1 A 89 89 ILE HA H 89 4.160 4.336 -0.176 1
1 1050 . 8 1 1 A 89 89 ILE C C 89 175.200 175.526 -0.326 1
1 1051 . 8 1 1 A 89 89 ILE CA C 89 61.100 60.889 0.211 1
1 1052 . 8 1 1 A 89 89 ILE CB C 89 38.500 37.178 1.322 1
1 1056 . 8 1 1 A 89 89 ILE N N 89 120.400 121.273 -0.873 1
1 1057 . 8 1 1 A 90 90 LEU H H 90 7.880 8.899 -1.019 1
1 1058 . 8 1 1 A 90 90 LEU HA H 90 4.190 4.363 -0.173 1
1 1067 . 8 1 1 A 90 90 LEU CA C 90 56.700 56.089 0.611 1
1 1068 . 8 1 1 A 90 90 LEU CB C 90 43.300 42.797 0.503 1
1 1072 . 8 1 1 A 90 90 LEU N N 90 131.900 129.259 2.641 1
1 1073 . 8 1 1 A 93 93 ALA HA H 93 4.370 4.538 -0.168 1
1 1077 . 8 1 1 A 93 93 ALA C C 93 176.600 176.080 0.520 1
1 1078 . 8 1 1 A 93 93 ALA CA C 93 52.300 51.416 0.884 1
1 1079 . 8 1 1 A 93 93 ALA CB C 93 19.200 23.049 -3.849 1
1 1080 . 8 1 1 A 94 94 SER H H 94 7.910 8.603 -0.693 1
1 1081 . 8 1 1 A 94 94 SER HA H 94 4.250 4.615 -0.365 1
1 1084 . 8 1 1 A 94 94 SER CA C 94 59.900 57.320 2.580 1
1 1085 . 8 1 1 A 94 94 SER CB C 94 64.700 63.656 1.044 1
1 1 . 9 1 1 A 2 2 THR HA H 2 4.360 3.978 0.382 1
1 6 . 9 1 1 A 2 2 THR C C 2 174.300 174.210 0.090 1
1 7 . 9 1 1 A 2 2 THR CA C 2 61.900 62.187 -0.287 1
1 8 . 9 1 1 A 2 2 THR CB C 2 69.900 67.157 2.743 1
1 10 . 9 1 1 A 3 3 LYS H H 3 8.520 7.933 0.587 1
1 11 . 9 1 1 A 3 3 LYS HA H 3 4.320 4.492 -0.172 1
1 20 . 9 1 1 A 3 3 LYS C C 3 176.100 176.514 -0.414 1
1 21 . 9 1 1 A 3 3 LYS CA C 3 56.400 57.056 -0.656 1
1 22 . 9 1 1 A 3 3 LYS CB C 3 33.000 35.106 -2.106 1
1 26 . 9 1 1 A 3 3 LYS N N 3 124.100 119.337 4.763 1
1 27 . 9 1 1 A 4 4 ASN H H 4 8.560 7.907 0.653 1
1 28 . 9 1 1 A 4 4 ASN HA H 4 4.760 5.035 -0.275 1
1 33 . 9 1 1 A 4 4 ASN C C 4 175.200 173.388 1.812 1
1 34 . 9 1 1 A 4 4 ASN CA C 4 53.300 52.723 0.577 1
1 35 . 9 1 1 A 4 4 ASN CB C 4 38.900 41.383 -2.483 1
1 36 . 9 1 1 A 4 4 ASN N N 4 120.200 111.989 8.211 1
1 38 . 9 1 1 A 5 5 THR H H 5 8.130 8.745 -0.615 1
1 39 . 9 1 1 A 5 5 THR HA H 5 4.310 4.351 -0.041 1
1 44 . 9 1 1 A 5 5 THR C C 5 173.900 174.185 -0.285 1
1 45 . 9 1 1 A 5 5 THR CA C 5 61.800 63.422 -1.622 1
1 46 . 9 1 1 A 5 5 THR CB C 5 69.500 68.508 0.992 1
1 48 . 9 1 1 A 5 5 THR N N 5 114.900 119.423 -4.523 1
1 49 . 9 1 1 A 6 6 ARG H H 6 8.160 8.150 0.010 1
1 50 . 9 1 1 A 6 6 ARG HA H 6 4.300 4.520 -0.220 1
1 57 . 9 1 1 A 6 6 ARG C C 6 176.300 176.340 -0.040 1
1 58 . 9 1 1 A 6 6 ARG CA C 6 56.300 55.613 0.687 1
1 59 . 9 1 1 A 6 6 ARG CB C 6 30.700 31.005 -0.305 1
1 62 . 9 1 1 A 6 6 ARG N N 6 123.600 126.465 -2.865 1
1 63 . 9 1 1 A 7 7 PHE H H 7 8.460 8.480 -0.020 1
1 64 . 9 1 1 A 7 7 PHE HA H 7 4.760 4.488 0.272 1
1 72 . 9 1 1 A 7 7 PHE C C 7 175.000 175.339 -0.339 1
1 73 . 9 1 1 A 7 7 PHE CA C 7 56.700 59.008 -2.308 1
1 74 . 9 1 1 A 7 7 PHE CB C 7 40.300 38.912 1.388 1
1 80 . 9 1 1 A 7 7 PHE N N 7 121.500 121.593 -0.093 1
1 81 . 9 1 1 A 8 8 SER H H 8 8.520 8.708 -0.188 1
1 82 . 9 1 1 A 8 8 SER HA H 8 4.600 4.459 0.141 1
1 85 . 9 1 1 A 8 8 SER CA C 8 56.700 57.261 -0.561 1
1 86 . 9 1 1 A 8 8 SER CB C 8 62.600 63.026 -0.426 1
1 87 . 9 1 1 A 8 8 SER N N 8 121.500 121.033 0.467 1
1 88 . 9 1 1 A 9 9 PRO HA H 9 3.920 4.298 -0.378 1
1 95 . 9 1 1 A 9 9 PRO C C 9 178.500 178.946 -0.446 1
1 96 . 9 1 1 A 9 9 PRO CA C 9 65.800 65.754 0.046 1
1 97 . 9 1 1 A 9 9 PRO CB C 9 31.500 31.596 -0.096 1
1 100 . 9 1 1 A 10 10 GLU H H 10 8.610 8.384 0.226 1
1 101 . 9 1 1 A 10 10 GLU HA H 10 3.990 4.030 -0.040 1
1 106 . 9 1 1 A 10 10 GLU C C 10 179.100 179.698 -0.598 1
1 107 . 9 1 1 A 10 10 GLU CA C 10 60.000 59.621 0.379 1
1 108 . 9 1 1 A 10 10 GLU CB C 10 28.800 29.238 -0.438 1
1 110 . 9 1 1 A 10 10 GLU N N 10 116.600 118.169 -1.569 1
1 111 . 9 1 1 A 11 11 VAL H H 11 7.510 8.254 -0.744 1
1 112 . 9 1 1 A 11 11 VAL HA H 11 3.610 3.531 0.079 1
1 120 . 9 1 1 A 11 11 VAL C C 11 177.700 177.797 -0.097 1
1 121 . 9 1 1 A 11 11 VAL CA C 11 66.400 67.000 -0.600 1
1 122 . 9 1 1 A 11 11 VAL CB C 11 31.600 31.523 0.077 1
1 125 . 9 1 1 A 11 11 VAL N N 11 122.700 121.271 1.429 1
1 126 . 9 1 1 A 12 12 ARG H H 12 7.800 8.110 -0.310 1
1 127 . 9 1 1 A 12 12 ARG HA H 12 3.440 3.518 -0.078 1
1 135 . 9 1 1 A 12 12 ARG C C 12 178.000 178.648 -0.648 1
1 136 . 9 1 1 A 12 12 ARG CA C 12 59.300 59.694 -0.394 1
1 137 . 9 1 1 A 12 12 ARG CB C 12 29.600 29.581 0.019 1
1 140 . 9 1 1 A 12 12 ARG N N 12 118.700 119.722 -1.022 1
1 142 . 9 1 1 A 13 13 GLN H H 13 8.050 7.851 0.199 1
1 143 . 9 1 1 A 13 13 GLN HA H 13 3.860 4.060 -0.200 1
1 150 . 9 1 1 A 13 13 GLN C C 13 178.800 178.707 0.093 1
1 151 . 9 1 1 A 13 13 GLN CA C 13 58.600 58.142 0.458 1
1 152 . 9 1 1 A 13 13 GLN CB C 13 28.300 28.048 0.252 1
1 154 . 9 1 1 A 13 13 GLN N N 13 116.100 118.506 -2.406 1
1 156 . 9 1 1 A 14 14 ARG H H 14 7.750 8.257 -0.507 1
1 157 . 9 1 1 A 14 14 ARG HA H 14 3.970 4.079 -0.109 1
1 164 . 9 1 1 A 14 14 ARG C C 14 177.900 178.247 -0.347 1
1 165 . 9 1 1 A 14 14 ARG CA C 14 59.100 58.755 0.345 1
1 166 . 9 1 1 A 14 14 ARG CB C 14 30.000 29.529 0.471 1
1 169 . 9 1 1 A 14 14 ARG N N 14 120.400 121.061 -0.661 1
1 170 . 9 1 1 A 15 15 ALA H H 15 8.500 7.888 0.612 1
1 171 . 9 1 1 A 15 15 ALA HA H 15 4.040 4.067 -0.027 1
1 175 . 9 1 1 A 15 15 ALA C C 15 178.800 179.833 -1.033 1
1 176 . 9 1 1 A 15 15 ALA CA C 15 55.300 55.155 0.145 1
1 177 . 9 1 1 A 15 15 ALA CB C 15 19.700 18.630 1.070 1
1 178 . 9 1 1 A 15 15 ALA N N 15 122.200 122.603 -0.403 1
1 179 . 9 1 1 A 16 16 VAL H H 16 8.230 7.859 0.371 1
1 180 . 9 1 1 A 16 16 VAL HA H 16 3.360 3.430 -0.070 1
1 188 . 9 1 1 A 16 16 VAL C C 16 177.700 177.928 -0.228 1
1 189 . 9 1 1 A 16 16 VAL CA C 16 67.100 67.050 0.050 1
1 190 . 9 1 1 A 16 16 VAL CB C 16 31.600 31.369 0.231 1
1 193 . 9 1 1 A 16 16 VAL N N 16 116.500 118.496 -1.996 1
1 194 . 9 1 1 A 17 17 ARG H H 17 7.900 8.016 -0.116 1
1 195 . 9 1 1 A 17 17 ARG HA H 17 3.830 3.826 0.004 1
1 202 . 9 1 1 A 17 17 ARG C C 17 178.000 178.511 -0.511 1
1 203 . 9 1 1 A 17 17 ARG CA C 17 59.700 59.651 0.049 1
1 204 . 9 1 1 A 17 17 ARG CB C 17 29.200 29.826 -0.626 1
1 207 . 9 1 1 A 17 17 ARG N N 17 119.000 120.570 -1.570 1
1 208 . 9 1 1 A 18 18 MET H H 18 8.210 8.207 0.003 1
1 209 . 9 1 1 A 18 18 MET HA H 18 4.090 4.239 -0.149 1
1 217 . 9 1 1 A 18 18 MET C C 18 179.400 178.343 1.057 1
1 218 . 9 1 1 A 18 18 MET CA C 18 59.500 58.077 1.423 1
1 219 . 9 1 1 A 18 18 MET CB C 18 33.600 32.239 1.361 1
1 222 . 9 1 1 A 18 18 MET N N 18 117.300 119.148 -1.848 1
1 223 . 9 1 1 A 19 19 VAL H H 19 7.790 8.014 -0.224 1
1 224 . 9 1 1 A 19 19 VAL HA H 19 3.390 3.605 -0.215 1
1 232 . 9 1 1 A 19 19 VAL C C 19 177.200 178.338 -1.138 1
1 233 . 9 1 1 A 19 19 VAL CA C 19 66.100 66.597 -0.497 1
1 234 . 9 1 1 A 19 19 VAL CB C 19 31.600 31.318 0.282 1
1 237 . 9 1 1 A 19 19 VAL N N 19 119.900 119.580 0.320 1
1 238 . 9 1 1 A 20 20 LEU H H 20 8.280 7.922 0.358 1
1 239 . 9 1 1 A 20 20 LEU HA H 20 4.070 3.898 0.172 1
1 249 . 9 1 1 A 20 20 LEU C C 20 180.600 179.446 1.154 1
1 250 . 9 1 1 A 20 20 LEU CA C 20 57.900 58.080 -0.180 1
1 251 . 9 1 1 A 20 20 LEU CB C 20 40.800 40.771 0.029 1
1 255 . 9 1 1 A 20 20 LEU N N 20 118.400 119.747 -1.347 1
1 256 . 9 1 1 A 21 21 GLU H H 21 8.690 8.441 0.249 1
1 257 . 9 1 1 A 21 21 GLU HA H 21 4.230 4.027 0.203 1
1 262 . 9 1 1 A 21 21 GLU C C 21 178.200 178.543 -0.343 1
1 263 . 9 1 1 A 21 21 GLU CA C 21 57.900 59.865 -1.965 1
1 264 . 9 1 1 A 21 21 GLU CB C 21 29.700 29.247 0.453 1
1 266 . 9 1 1 A 21 21 GLU N N 21 115.900 120.983 -5.083 1
1 267 . 9 1 1 A 22 22 SER H H 22 7.580 8.148 -0.568 1
1 268 . 9 1 1 A 22 22 SER HA H 22 4.790 4.459 0.331 1
1 271 . 9 1 1 A 22 22 SER C C 22 175.200 176.922 -1.722 1
1 272 . 9 1 1 A 22 22 SER CA C 22 59.500 60.597 -1.097 1
1 273 . 9 1 1 A 22 22 SER CB C 22 64.500 63.547 0.953 1
1 274 . 9 1 1 A 22 22 SER N N 22 113.000 116.573 -3.573 1
1 275 . 9 1 1 A 23 23 GLN H H 23 7.780 8.180 -0.400 1
1 276 . 9 1 1 A 23 23 GLN HA H 23 4.800 4.070 0.730 1
1 283 . 9 1 1 A 23 23 GLN C C 23 177.100 178.189 -1.089 1
1 284 . 9 1 1 A 23 23 GLN CA C 23 57.800 59.312 -1.512 1
1 285 . 9 1 1 A 23 23 GLN CB C 23 28.100 28.087 0.013 1
1 287 . 9 1 1 A 23 23 GLN N N 23 119.900 122.395 -2.495 1
1 289 . 9 1 1 A 24 24 GLY H H 24 8.680 8.001 0.679 1
1 290 . 9 1 1 A 24 24 GLY HA2 H 24 3.860 3.925 -0.065 1
1 291 . 9 1 1 A 24 24 GLY HA3 H 24 4.110 3.926 0.184 1
1 292 . 9 1 1 A 24 24 GLY C C 24 175.100 174.319 0.781 1
1 293 . 9 1 1 A 24 24 GLY CA C 24 45.900 46.642 -0.742 1
1 294 . 9 1 1 A 24 24 GLY N N 24 108.500 106.181 2.319 1
1 295 . 9 1 1 A 25 25 GLU H H 25 8.110 8.469 -0.359 1
1 296 . 9 1 1 A 25 25 GLU HA H 25 4.210 4.579 -0.369 1
1 301 . 9 1 1 A 25 25 GLU C C 25 175.400 175.366 0.034 1
1 302 . 9 1 1 A 25 25 GLU CA C 25 56.100 57.720 -1.620 1
1 303 . 9 1 1 A 25 25 GLU CB C 25 29.700 31.863 -2.163 1
1 305 . 9 1 1 A 25 25 GLU N N 25 118.200 119.896 -1.696 1
1 306 . 9 1 1 A 26 26 TYR H H 26 7.690 7.636 0.054 1
1 307 . 9 1 1 A 26 26 TYR HA H 26 4.690 4.519 0.171 1
1 314 . 9 1 1 A 26 26 TYR C C 26 175.800 176.560 -0.760 1
1 315 . 9 1 1 A 26 26 TYR CA C 26 57.000 59.023 -2.023 1
1 316 . 9 1 1 A 26 26 TYR CB C 26 42.200 38.736 3.464 1
1 321 . 9 1 1 A 26 26 TYR N N 26 117.700 119.058 -1.358 1
1 322 . 9 1 1 A 27 27 ASP H H 27 8.850 9.065 -0.215 1
1 323 . 9 1 1 A 27 27 ASP HA H 27 4.520 4.516 0.004 1
1 326 . 9 1 1 A 27 27 ASP C C 27 175.900 175.966 -0.066 1
1 327 . 9 1 1 A 27 27 ASP CA C 27 55.400 55.145 0.255 1
1 328 . 9 1 1 A 27 27 ASP CB C 27 41.200 41.252 -0.052 1
1 329 . 9 1 1 A 27 27 ASP N N 27 117.500 121.723 -4.223 1
1 330 . 9 1 1 A 28 28 SER H H 28 7.550 7.761 -0.211 1
1 331 . 9 1 1 A 28 28 SER HA H 28 4.740 4.776 -0.036 1
1 334 . 9 1 1 A 28 28 SER CA C 28 57.200 56.287 0.913 1
1 335 . 9 1 1 A 28 28 SER CB C 28 65.800 66.325 -0.525 1
1 336 . 9 1 1 A 28 28 SER N N 28 109.000 111.540 -2.540 1
1 337 . 9 1 1 A 29 29 GLN HA H 29 3.950 3.849 0.101 1
1 344 . 9 1 1 A 29 29 GLN C C 29 178.100 177.224 0.876 1
1 345 . 9 1 1 A 29 29 GLN CA C 29 60.200 58.351 1.849 1
1 346 . 9 1 1 A 29 29 GLN CB C 29 29.900 27.978 1.922 1
1 349 . 9 1 1 A 30 30 TRP H H 30 9.010 7.724 1.286 1
1 350 . 9 1 1 A 30 30 TRP HA H 30 4.720 4.407 0.313 1
1 359 . 9 1 1 A 30 30 TRP C C 30 177.100 178.607 -1.507 1
1 360 . 9 1 1 A 30 30 TRP CA C 30 59.300 59.828 -0.528 1
1 361 . 9 1 1 A 30 30 TRP CB C 30 30.000 29.262 0.738 1
1 367 . 9 1 1 A 30 30 TRP N N 30 121.400 120.468 0.932 1
1 369 . 9 1 1 A 31 31 ALA H H 31 8.360 8.324 0.036 1
1 370 . 9 1 1 A 31 31 ALA HA H 31 3.790 4.082 -0.292 1
1 374 . 9 1 1 A 31 31 ALA C C 31 180.300 179.279 1.021 1
1 375 . 9 1 1 A 31 31 ALA CA C 31 55.300 55.084 0.216 1
1 376 . 9 1 1 A 31 31 ALA CB C 31 18.200 18.319 -0.119 1
1 377 . 9 1 1 A 31 31 ALA N N 31 121.600 122.487 -0.887 1
1 378 . 9 1 1 A 32 32 THR H H 32 7.420 7.232 0.188 1
1 379 . 9 1 1 A 32 32 THR HA H 32 2.620 3.338 -0.718 1
1 384 . 9 1 1 A 32 32 THR C C 32 176.700 176.154 0.546 1
1 385 . 9 1 1 A 32 32 THR CA C 32 66.200 66.470 -0.270 1
1 386 . 9 1 1 A 32 32 THR CB C 32 67.800 68.726 -0.926 1
1 388 . 9 1 1 A 32 32 THR N N 32 115.700 114.251 1.449 1
1 389 . 9 1 1 A 33 33 ILE H H 33 8.490 8.110 0.380 1
1 390 . 9 1 1 A 33 33 ILE HA H 33 3.180 3.564 -0.384 1
1 400 . 9 1 1 A 33 33 ILE C C 33 177.300 177.478 -0.178 1
1 401 . 9 1 1 A 33 33 ILE CA C 33 65.900 65.308 0.592 1
1 402 . 9 1 1 A 33 33 ILE CB C 33 37.700 37.649 0.051 1
1 406 . 9 1 1 A 33 33 ILE N N 33 124.100 120.717 3.383 1
1 407 . 9 1 1 A 34 34 CYS H H 34 8.060 7.991 0.069 1
1 408 . 9 1 1 A 34 34 CYS HA H 34 3.610 4.286 -0.676 1
1 411 . 9 1 1 A 34 34 CYS C C 34 175.800 175.772 0.028 1
1 412 . 9 1 1 A 34 34 CYS CA C 34 63.800 60.561 3.239 1
1 413 . 9 1 1 A 34 34 CYS CB C 34 26.400 26.800 -0.400 1
1 414 . 9 1 1 A 34 34 CYS N N 34 115.900 118.880 -2.980 1
1 415 . 9 1 1 A 35 35 SER H H 35 7.150 7.678 -0.528 1
1 416 . 9 1 1 A 35 35 SER HA H 35 4.260 4.485 -0.225 1
1 419 . 9 1 1 A 35 35 SER C C 35 175.500 175.397 0.103 1
1 420 . 9 1 1 A 35 35 SER CA C 35 60.200 61.062 -0.862 1
1 421 . 9 1 1 A 35 35 SER CB C 35 63.600 63.368 0.232 1
1 422 . 9 1 1 A 35 35 SER N N 35 113.600 116.053 -2.453 1
1 423 . 9 1 1 A 36 36 ILE H H 36 7.650 7.792 -0.142 1
1 424 . 9 1 1 A 36 36 ILE HA H 36 3.850 3.833 0.017 1
1 434 . 9 1 1 A 36 36 ILE C C 36 176.900 177.754 -0.854 1
1 435 . 9 1 1 A 36 36 ILE CA C 36 61.700 63.771 -2.071 1
1 436 . 9 1 1 A 36 36 ILE CB C 36 37.700 36.958 0.742 1
1 440 . 9 1 1 A 36 36 ILE N N 36 120.700 122.047 -1.347 1
1 441 . 9 1 1 A 37 37 ALA H H 37 8.200 8.410 -0.210 1
1 442 . 9 1 1 A 37 37 ALA HA H 37 3.860 4.030 -0.170 1
1 446 . 9 1 1 A 37 37 ALA CA C 37 57.400 57.146 0.254 1
1 447 . 9 1 1 A 37 37 ALA CB C 37 14.900 17.112 -2.212 1
1 448 . 9 1 1 A 37 37 ALA N N 37 122.200 124.263 -2.063 1
1 449 . 9 1 1 A 38 38 PRO HA H 38 4.470 4.363 0.107 1
1 456 . 9 1 1 A 38 38 PRO C C 38 178.800 178.835 -0.035 1
1 457 . 9 1 1 A 38 38 PRO CA C 38 65.600 65.003 0.597 1
1 458 . 9 1 1 A 38 38 PRO CB C 38 31.000 31.407 -0.407 1
1 461 . 9 1 1 A 39 39 LYS H H 39 7.680 7.933 -0.253 1
1 462 . 9 1 1 A 39 39 LYS HA H 39 4.150 4.079 0.071 1
1 471 . 9 1 1 A 39 39 LYS C C 39 177.800 179.080 -1.280 1
1 472 . 9 1 1 A 39 39 LYS CA C 39 58.000 59.578 -1.578 1
1 473 . 9 1 1 A 39 39 LYS CB C 39 31.800 32.350 -0.550 1
1 477 . 9 1 1 A 39 39 LYS N N 39 115.500 118.378 -2.878 1
1 478 . 9 1 1 A 40 40 ILE H H 40 7.540 7.758 -0.218 1
1 479 . 9 1 1 A 40 40 ILE HA H 40 4.130 3.977 0.153 1
1 489 . 9 1 1 A 40 40 ILE C C 40 176.500 176.627 -0.127 1
1 490 . 9 1 1 A 40 40 ILE CA C 40 59.600 62.870 -3.270 1
1 491 . 9 1 1 A 40 40 ILE CB C 40 37.300 38.622 -1.322 1
1 495 . 9 1 1 A 40 40 ILE N N 40 117.500 118.068 -0.568 1
1 496 . 9 1 1 A 41 41 GLY H H 41 8.430 8.844 -0.414 1
1 497 . 9 1 1 A 41 41 GLY HA2 H 41 4.550 4.002 0.548 1
1 498 . 9 1 1 A 41 41 GLY HA3 H 41 3.790 4.013 -0.223 1
1 499 . 9 1 1 A 41 41 GLY C C 41 173.900 173.827 0.073 1
1 500 . 9 1 1 A 41 41 GLY CA C 41 44.900 46.474 -1.574 1
1 501 . 9 1 1 A 41 41 GLY N N 41 105.100 108.515 -3.415 1
1 502 . 9 1 1 A 42 42 CYS H H 42 7.360 7.854 -0.494 1
1 503 . 9 1 1 A 42 42 CYS HA H 42 5.220 5.027 0.193 1
1 506 . 9 1 1 A 42 42 CYS C C 42 173.100 173.438 -0.338 1
1 507 . 9 1 1 A 42 42 CYS CA C 42 53.300 57.111 -3.811 1
1 508 . 9 1 1 A 42 42 CYS CB C 42 31.700 31.397 0.303 1
1 509 . 9 1 1 A 42 42 CYS N N 42 115.400 115.558 -0.158 1
1 510 . 9 1 1 A 43 43 THR H H 43 8.550 8.380 0.170 1
1 511 . 9 1 1 A 43 43 THR HA H 43 4.560 4.346 0.214 1
1 516 . 9 1 1 A 43 43 THR CA C 43 59.800 60.876 -1.076 1
1 517 . 9 1 1 A 43 43 THR CB C 43 68.500 68.957 -0.457 1
1 519 . 9 1 1 A 43 43 THR N N 43 111.500 114.881 -3.381 1
1 520 . 9 1 1 A 44 44 PRO HA H 44 3.680 4.149 -0.469 1
1 527 . 9 1 1 A 44 44 PRO C C 44 177.300 178.870 -1.570 1
1 528 . 9 1 1 A 44 44 PRO CA C 44 65.200 65.533 -0.333 1
1 529 . 9 1 1 A 44 44 PRO CB C 44 32.400 31.785 0.615 1
1 532 . 9 1 1 A 45 45 GLU H H 45 8.900 8.308 0.592 1
1 533 . 9 1 1 A 45 45 GLU HA H 45 3.990 4.017 -0.027 1
1 538 . 9 1 1 A 45 45 GLU C C 45 179.000 179.367 -0.367 1
1 539 . 9 1 1 A 45 45 GLU CA C 45 61.300 59.637 1.663 1
1 540 . 9 1 1 A 45 45 GLU CB C 45 28.200 29.220 -1.020 1
1 542 . 9 1 1 A 45 45 GLU N N 45 117.100 117.871 -0.771 1
1 543 . 9 1 1 A 46 46 THR H H 46 7.680 7.878 -0.198 1
1 544 . 9 1 1 A 46 46 THR HA H 46 3.560 3.681 -0.121 1
1 549 . 9 1 1 A 46 46 THR C C 46 173.800 175.709 -1.909 1
1 550 . 9 1 1 A 46 46 THR CA C 46 66.300 66.693 -0.393 1
1 551 . 9 1 1 A 46 46 THR CB C 46 68.000 67.230 0.770 1
1 553 . 9 1 1 A 46 46 THR N N 46 118.800 118.188 0.612 1
1 554 . 9 1 1 A 47 47 LEU H H 47 7.040 7.757 -0.717 1
1 555 . 9 1 1 A 47 47 LEU HA H 47 3.170 3.449 -0.279 1
1 565 . 9 1 1 A 47 47 LEU C C 47 177.500 178.322 -0.822 1
1 566 . 9 1 1 A 47 47 LEU CA C 47 56.800 57.693 -0.893 1
1 567 . 9 1 1 A 47 47 LEU CB C 47 40.500 41.592 -1.092 1
1 571 . 9 1 1 A 47 47 LEU N N 47 120.600 120.986 -0.386 1
1 572 . 9 1 1 A 48 48 ARG H H 48 8.430 7.908 0.522 1
1 573 . 9 1 1 A 48 48 ARG HA H 48 3.880 3.998 -0.118 1
1 580 . 9 1 1 A 48 48 ARG C C 48 177.400 178.557 -1.157 1
1 581 . 9 1 1 A 48 48 ARG CA C 48 60.200 58.814 1.386 1
1 582 . 9 1 1 A 48 48 ARG CB C 48 30.500 29.786 0.714 1
1 585 . 9 1 1 A 48 48 ARG N N 48 118.200 119.018 -0.818 1
1 586 . 9 1 1 A 49 49 VAL H H 49 7.400 7.949 -0.549 1
1 587 . 9 1 1 A 49 49 VAL HA H 49 3.630 3.653 -0.023 1
1 595 . 9 1 1 A 49 49 VAL C C 49 178.900 178.296 0.604 1
1 596 . 9 1 1 A 49 49 VAL CA C 49 67.200 66.385 0.815 1
1 597 . 9 1 1 A 49 49 VAL CB C 49 30.700 31.466 -0.766 1
1 600 . 9 1 1 A 49 49 VAL N N 49 120.300 118.373 1.927 1
1 601 . 9 1 1 A 50 50 TRP H H 50 7.850 7.922 -0.072 1
1 602 . 9 1 1 A 50 50 TRP HA H 50 4.740 4.442 0.298 1
1 611 . 9 1 1 A 50 50 TRP C C 50 180.400 179.081 1.319 1
1 612 . 9 1 1 A 50 50 TRP CA C 50 57.800 60.136 -2.336 1
1 613 . 9 1 1 A 50 50 TRP CB C 50 28.700 29.424 -0.724 1
1 619 . 9 1 1 A 50 50 TRP N N 50 120.300 119.870 0.430 1
1 621 . 9 1 1 A 51 51 VAL H H 51 8.820 7.973 0.847 1
1 622 . 9 1 1 A 51 51 VAL HA H 51 3.690 3.663 0.027 1
1 630 . 9 1 1 A 51 51 VAL C C 51 177.700 178.354 -0.654 1
1 631 . 9 1 1 A 51 51 VAL CA C 51 66.800 66.710 0.090 1
1 632 . 9 1 1 A 51 51 VAL CB C 51 32.000 31.746 0.254 1
1 635 . 9 1 1 A 51 51 VAL N N 51 121.300 119.921 1.379 1
1 636 . 9 1 1 A 52 52 ARG H H 52 8.740 8.521 0.219 1
1 637 . 9 1 1 A 52 52 ARG HA H 52 4.260 4.015 0.245 1
1 644 . 9 1 1 A 52 52 ARG C C 52 179.500 178.278 1.222 1
1 645 . 9 1 1 A 52 52 ARG CA C 52 58.900 59.160 -0.260 1
1 646 . 9 1 1 A 52 52 ARG CB C 52 29.900 29.822 0.078 1
1 649 . 9 1 1 A 52 52 ARG N N 52 120.200 120.202 -0.002 1
1 650 . 9 1 1 A 53 53 GLN H H 53 8.540 8.517 0.023 1
1 651 . 9 1 1 A 53 53 GLN HA H 53 4.050 4.078 -0.028 1
1 658 . 9 1 1 A 53 53 GLN C C 53 177.600 178.337 -0.737 1
1 659 . 9 1 1 A 53 53 GLN CA C 53 58.700 58.774 -0.074 1
1 660 . 9 1 1 A 53 53 GLN CB C 53 28.100 28.410 -0.310 1
1 662 . 9 1 1 A 53 53 GLN N N 53 119.100 119.219 -0.119 1
1 664 . 9 1 1 A 54 54 HIS H H 54 8.010 7.527 0.483 1
1 665 . 9 1 1 A 54 54 HIS HA H 54 4.410 4.435 -0.025 1
1 668 . 9 1 1 A 54 54 HIS C C 54 177.800 177.579 0.221 1
1 669 . 9 1 1 A 54 54 HIS CA C 54 59.700 59.515 0.185 1
1 670 . 9 1 1 A 54 54 HIS CB C 54 30.600 29.874 0.726 1
1 671 . 9 1 1 A 54 54 HIS N N 54 119.300 117.797 1.503 1
1 672 . 9 1 1 A 55 55 GLU H H 55 8.460 8.548 -0.088 1
1 673 . 9 1 1 A 55 55 GLU HA H 55 3.940 3.977 -0.037 1
1 678 . 9 1 1 A 55 55 GLU C C 55 178.400 178.669 -0.269 1
1 679 . 9 1 1 A 55 55 GLU CA C 55 58.800 59.576 -0.776 1
1 680 . 9 1 1 A 55 55 GLU CB C 55 29.800 29.487 0.313 1
1 682 . 9 1 1 A 55 55 GLU N N 55 119.700 120.221 -0.521 1
1 683 . 9 1 1 A 56 56 ARG H H 56 7.990 7.751 0.239 1
1 684 . 9 1 1 A 56 56 ARG HA H 56 4.160 4.194 -0.034 1
1 691 . 9 1 1 A 56 56 ARG C C 56 177.800 178.309 -0.509 1
1 692 . 9 1 1 A 56 56 ARG CA C 56 58.100 58.630 -0.530 1
1 693 . 9 1 1 A 56 56 ARG CB C 56 30.100 30.021 0.079 1
1 696 . 9 1 1 A 56 56 ARG N N 56 119.200 119.888 -0.688 1
1 697 . 9 1 1 A 57 57 ASP H H 57 8.300 8.236 0.064 1
1 698 . 9 1 1 A 57 57 ASP HA H 57 4.550 4.366 0.184 1
1 701 . 9 1 1 A 57 57 ASP C C 57 177.400 177.222 0.178 1
1 702 . 9 1 1 A 57 57 ASP CA C 57 55.800 56.051 -0.251 1
1 703 . 9 1 1 A 57 57 ASP CB C 57 40.800 41.020 -0.220 1
1 704 . 9 1 1 A 57 57 ASP N N 57 120.000 120.222 -0.222 1
1 705 . 9 1 1 A 58 58 THR H H 58 7.890 7.703 0.187 1
1 706 . 9 1 1 A 58 58 THR HA H 58 4.310 4.118 0.192 1
1 711 . 9 1 1 A 58 58 THR C C 58 175.500 174.792 0.708 1
1 712 . 9 1 1 A 58 58 THR CA C 58 62.200 63.390 -1.190 1
1 713 . 9 1 1 A 58 58 THR CB C 58 69.800 68.504 1.296 1
1 715 . 9 1 1 A 58 58 THR N N 58 111.300 113.261 -1.961 1
1 716 . 9 1 1 A 59 59 GLY H H 59 8.070 8.533 -0.463 1
1 717 . 9 1 1 A 59 59 GLY HA2 H 59 4.010 4.001 0.009 1
1 718 . 9 1 1 A 59 59 GLY HA3 H 59 4.010 4.001 0.009 1
1 719 . 9 1 1 A 59 59 GLY C C 59 174.700 174.171 0.529 1
1 720 . 9 1 1 A 59 59 GLY CA C 59 45.600 44.967 0.633 1
1 721 . 9 1 1 A 59 59 GLY N N 59 110.600 114.549 -3.949 1
1 722 . 9 1 1 A 60 60 GLY H H 60 8.260 8.585 -0.325 1
1 723 . 9 1 1 A 60 60 GLY HA2 H 60 3.990 3.823 0.167 1
1 724 . 9 1 1 A 60 60 GLY HA3 H 60 3.990 3.826 0.164 1
1 725 . 9 1 1 A 60 60 GLY C C 60 173.900 173.447 0.453 1
1 726 . 9 1 1 A 60 60 GLY CA C 60 45.100 47.428 -2.328 1
1 727 . 9 1 1 A 60 60 GLY N N 60 108.700 108.819 -0.119 1
1 728 . 9 1 1 A 61 61 ASP H H 61 8.320 8.516 -0.196 1
1 729 . 9 1 1 A 61 61 ASP HA H 61 4.650 5.175 -0.525 1
1 732 . 9 1 1 A 61 61 ASP C C 61 176.200 173.994 2.206 1
1 733 . 9 1 1 A 61 61 ASP CA C 61 54.200 52.603 1.597 1
1 734 . 9 1 1 A 61 61 ASP CB C 61 41.300 43.649 -2.349 1
1 735 . 9 1 1 A 61 61 ASP N N 61 120.500 125.574 -5.074 1
1 736 . 9 1 1 A 62 62 ASP H H 62 8.400 8.752 -0.352 1
1 737 . 9 1 1 A 62 62 ASP HA H 62 4.600 4.835 -0.235 1
1 740 . 9 1 1 A 62 62 ASP C C 62 177.100 176.402 0.698 1
1 741 . 9 1 1 A 62 62 ASP CA C 62 54.200 53.428 0.772 1
1 742 . 9 1 1 A 62 62 ASP CB C 62 41.100 41.062 0.038 1
1 743 . 9 1 1 A 62 62 ASP N N 62 121.100 125.683 -4.583 1
1 744 . 9 1 1 A 63 63 GLY H H 63 8.500 8.553 -0.053 1
1 745 . 9 1 1 A 63 63 GLY HA2 H 63 3.950 3.842 0.108 1
1 746 . 9 1 1 A 63 63 GLY HA3 H 63 3.950 3.842 0.108 1
1 747 . 9 1 1 A 63 63 GLY C C 63 175.000 175.388 -0.388 1
1 748 . 9 1 1 A 63 63 GLY CA C 63 45.700 46.170 -0.470 1
1 749 . 9 1 1 A 63 63 GLY N N 63 109.400 113.597 -4.197 1
1 750 . 9 1 1 A 64 64 GLY H H 64 8.360 8.409 -0.049 1
1 751 . 9 1 1 A 64 64 GLY HA2 H 64 3.950 3.889 0.061 1
1 752 . 9 1 1 A 64 64 GLY HA3 H 64 3.950 3.889 0.061 1
1 753 . 9 1 1 A 64 64 GLY C C 64 174.300 173.741 0.559 1
1 754 . 9 1 1 A 64 64 GLY CA C 64 45.300 45.446 -0.146 1
1 755 . 9 1 1 A 64 64 GLY N N 64 108.700 107.684 1.016 1
1 756 . 9 1 1 A 65 65 LEU H H 65 8.020 7.703 0.317 1
1 757 . 9 1 1 A 65 65 LEU HA H 65 4.460 4.723 -0.263 1
1 767 . 9 1 1 A 65 65 LEU C C 65 178.000 176.304 1.696 1
1 768 . 9 1 1 A 65 65 LEU CA C 65 55.200 53.816 1.384 1
1 769 . 9 1 1 A 65 65 LEU CB C 65 42.700 43.968 -1.268 1
1 773 . 9 1 1 A 65 65 LEU N N 65 121.300 122.627 -1.327 1
1 774 . 9 1 1 A 66 66 THR H H 66 8.470 8.799 -0.329 1
1 775 . 9 1 1 A 66 66 THR HA H 66 4.440 4.605 -0.165 1
1 780 . 9 1 1 A 66 66 THR C C 66 175.200 173.787 1.413 1
1 781 . 9 1 1 A 66 66 THR CA C 66 61.600 61.129 0.471 1
1 782 . 9 1 1 A 66 66 THR CB C 66 70.200 68.746 1.454 1
1 784 . 9 1 1 A 66 66 THR N N 66 114.300 121.889 -7.589 1
1 785 . 9 1 1 A 67 67 THR H H 67 8.370 8.060 0.310 1
1 786 . 9 1 1 A 67 67 THR HA H 67 4.110 4.102 0.008 1
1 791 . 9 1 1 A 67 67 THR C C 67 175.300 174.206 1.094 1
1 792 . 9 1 1 A 67 67 THR CA C 67 63.900 62.478 1.422 1
1 793 . 9 1 1 A 67 67 THR CB C 67 69.100 67.136 1.964 1
1 795 . 9 1 1 A 67 67 THR N N 67 116.600 112.327 4.273 1
1 796 . 9 1 1 A 68 68 ALA H H 68 8.340 7.727 0.613 1
1 797 . 9 1 1 A 68 68 ALA HA H 68 4.220 4.446 -0.226 1
1 801 . 9 1 1 A 68 68 ALA C C 68 179.100 177.067 2.033 1
1 802 . 9 1 1 A 68 68 ALA CA C 68 53.800 53.509 0.291 1
1 803 . 9 1 1 A 68 68 ALA CB C 68 18.700 20.644 -1.944 1
1 804 . 9 1 1 A 68 68 ALA N N 68 124.500 122.311 2.189 1
1 805 . 9 1 1 A 69 69 GLU H H 69 8.090 7.911 0.179 1
1 806 . 9 1 1 A 69 69 GLU HA H 69 4.140 4.839 -0.699 1
1 811 . 9 1 1 A 69 69 GLU C C 69 177.800 174.344 3.456 1
1 812 . 9 1 1 A 69 69 GLU CA C 69 57.700 55.742 1.958 1
1 813 . 9 1 1 A 69 69 GLU CB C 69 30.100 33.170 -3.070 1
1 815 . 9 1 1 A 69 69 GLU N N 69 119.000 115.864 3.136 1
1 816 . 9 1 1 A 70 70 ARG H H 70 8.300 8.454 -0.154 1
1 817 . 9 1 1 A 70 70 ARG HA H 70 4.140 4.660 -0.520 1
1 824 . 9 1 1 A 70 70 ARG C C 70 177.400 176.026 1.374 1
1 825 . 9 1 1 A 70 70 ARG CA C 70 57.500 56.154 1.346 1
1 826 . 9 1 1 A 70 70 ARG CB C 70 30.300 30.810 -0.510 1
1 829 . 9 1 1 A 70 70 ARG N N 70 120.400 128.177 -7.777 1
1 830 . 9 1 1 A 71 71 GLN H H 71 8.200 8.686 -0.486 1
1 831 . 9 1 1 A 71 71 GLN HA H 71 4.200 4.357 -0.157 1
1 838 . 9 1 1 A 71 71 GLN C C 71 176.600 174.803 1.797 1
1 839 . 9 1 1 A 71 71 GLN CA C 71 56.800 56.429 0.371 1
1 840 . 9 1 1 A 71 71 GLN CB C 71 28.900 28.794 0.106 1
1 842 . 9 1 1 A 71 71 GLN N N 71 119.500 127.491 -7.991 1
1 844 . 9 1 1 A 72 72 ARG H H 72 7.990 8.828 -0.838 1
1 845 . 9 1 1 A 72 72 ARG HA H 72 4.240 4.924 -0.684 1
1 847 . 9 1 1 A 72 72 ARG C C 72 176.600 174.492 2.108 1
1 848 . 9 1 1 A 72 72 ARG CA C 72 56.900 55.150 1.750 1
1 849 . 9 1 1 A 72 72 ARG CB C 72 30.500 32.688 -2.188 1
1 852 . 9 1 1 A 72 72 ARG N N 72 120.600 127.903 -7.303 1
1 853 . 9 1 1 A 73 73 LEU H H 73 7.980 8.818 -0.838 1
1 854 . 9 1 1 A 73 73 LEU HA H 73 4.280 4.830 -0.550 1
1 864 . 9 1 1 A 73 73 LEU C C 73 177.100 174.493 2.607 1
1 865 . 9 1 1 A 73 73 LEU CA C 73 55.300 54.435 0.865 1
1 866 . 9 1 1 A 73 73 LEU CB C 73 42.200 44.004 -1.804 1
1 870 . 9 1 1 A 73 73 LEU N N 73 121.400 127.401 -6.001 1
1 871 . 9 1 1 A 74 74 LYS H H 74 8.050 8.830 -0.780 1
1 872 . 9 1 1 A 74 74 LYS HA H 74 4.300 4.752 -0.452 1
1 881 . 9 1 1 A 74 74 LYS C C 74 176.100 176.218 -0.118 1
1 882 . 9 1 1 A 74 74 LYS CA C 74 56.000 54.934 1.066 1
1 883 . 9 1 1 A 74 74 LYS CB C 74 33.000 33.825 -0.825 1
1 887 . 9 1 1 A 74 74 LYS N N 74 121.000 125.963 -4.963 1
1 888 . 9 1 1 A 75 75 GLU H H 75 8.360 8.773 -0.413 1
1 889 . 9 1 1 A 75 75 GLU HA H 75 4.550 3.937 0.613 1
1 894 . 9 1 1 A 75 75 GLU CA C 75 54.400 56.892 -2.492 1
1 895 . 9 1 1 A 75 75 GLU CB C 75 29.600 28.536 1.064 1
1 897 . 9 1 1 A 75 75 GLU N N 75 123.800 119.951 3.849 1
1 898 . 9 1 1 A 76 76 PRO HA H 76 4.410 4.634 -0.224 1
1 905 . 9 1 1 A 76 76 PRO C C 76 177.000 176.061 0.939 1
1 906 . 9 1 1 A 76 76 PRO CA C 76 63.300 62.388 0.912 1
1 907 . 9 1 1 A 76 76 PRO CB C 76 32.000 33.115 -1.115 1
1 910 . 9 1 1 A 77 77 GLU H H 77 8.580 8.466 0.114 1
1 911 . 9 1 1 A 77 77 GLU HA H 77 4.220 4.440 -0.220 1
1 916 . 9 1 1 A 77 77 GLU C C 77 176.700 175.140 1.560 1
1 917 . 9 1 1 A 77 77 GLU CA C 77 56.800 56.285 0.515 1
1 918 . 9 1 1 A 77 77 GLU CB C 77 29.900 28.640 1.260 1
1 920 . 9 1 1 A 77 77 GLU N N 77 120.800 118.620 2.180 1
1 921 . 9 1 1 A 78 78 ARG H H 78 8.330 8.362 -0.032 1
1 922 . 9 1 1 A 78 78 ARG HA H 78 4.270 4.393 -0.123 1
1 925 . 9 1 1 A 78 78 ARG C C 78 176.500 175.593 0.907 1
1 926 . 9 1 1 A 78 78 ARG CA C 78 56.700 55.362 1.338 1
1 927 . 9 1 1 A 78 78 ARG CB C 78 30.600 29.306 1.294 1
1 930 . 9 1 1 A 78 78 ARG N N 78 122.000 125.533 -3.533 1
1 931 . 9 1 1 A 79 79 GLU H H 79 8.020 8.089 -0.069 1
1 932 . 9 1 1 A 79 79 GLU HA H 79 4.230 4.436 -0.206 1
1 937 . 9 1 1 A 79 79 GLU C C 79 176.100 175.929 0.171 1
1 938 . 9 1 1 A 79 79 GLU CA C 79 56.500 57.753 -1.253 1
1 939 . 9 1 1 A 79 79 GLU CB C 79 30.200 30.540 -0.340 1
1 941 . 9 1 1 A 79 79 GLU N N 79 121.900 126.473 -4.573 1
1 942 . 9 1 1 A 80 80 ASN H H 80 8.510 8.209 0.301 1
1 943 . 9 1 1 A 80 80 ASN HA H 80 4.690 4.864 -0.174 1
1 948 . 9 1 1 A 80 80 ASN C C 80 175.400 175.934 -0.534 1
1 949 . 9 1 1 A 80 80 ASN CA C 80 53.300 52.569 0.731 1
1 950 . 9 1 1 A 80 80 ASN CB C 80 38.500 38.552 -0.052 1
1 951 . 9 1 1 A 80 80 ASN N N 80 120.000 117.206 2.794 1
1 953 . 9 1 1 A 81 81 ARG H H 81 8.400 8.604 -0.204 1
1 954 . 9 1 1 A 81 81 ARG HA H 81 4.250 4.444 -0.194 1
1 961 . 9 1 1 A 81 81 ARG C C 81 175.600 176.046 -0.446 1
1 962 . 9 1 1 A 81 81 ARG CA C 81 56.500 56.927 -0.427 1
1 963 . 9 1 1 A 81 81 ARG CB C 81 30.800 31.107 -0.307 1
1 966 . 9 1 1 A 81 81 ARG N N 81 121.900 123.318 -1.418 1
1 967 . 9 1 1 A 82 82 GLU H H 82 8.410 7.372 1.038 1
1 968 . 9 1 1 A 82 82 GLU HA H 82 4.240 4.526 -0.286 1
1 973 . 9 1 1 A 82 82 GLU C C 82 176.400 175.210 1.190 1
1 974 . 9 1 1 A 82 82 GLU CA C 82 56.700 55.334 1.366 1
1 975 . 9 1 1 A 82 82 GLU CB C 82 29.900 28.019 1.881 1
1 977 . 9 1 1 A 82 82 GLU N N 82 120.900 119.464 1.436 1
1 978 . 9 1 1 A 83 83 LEU H H 83 8.120 8.503 -0.383 1
1 979 . 9 1 1 A 83 83 LEU HA H 83 4.310 4.597 -0.287 1
1 988 . 9 1 1 A 83 83 LEU C C 83 177.100 175.666 1.434 1
1 989 . 9 1 1 A 83 83 LEU CA C 83 55.200 54.451 0.749 1
1 990 . 9 1 1 A 83 83 LEU CB C 83 42.100 40.080 2.020 1
1 994 . 9 1 1 A 83 83 LEU N N 83 122.800 126.651 -3.851 1
1 995 . 9 1 1 A 84 84 ARG H H 84 8.260 7.972 0.288 1
1 996 . 9 1 1 A 84 84 ARG HA H 84 4.340 4.790 -0.450 1
1 999 . 9 1 1 A 84 84 ARG C C 84 176.000 174.369 1.631 1
1 1000 . 9 1 1 A 84 84 ARG CA C 84 55.900 54.514 1.386 1
1 1001 . 9 1 1 A 84 84 ARG CB C 84 30.600 30.032 0.568 1
1 1004 . 9 1 1 A 84 84 ARG N N 84 121.800 119.448 2.352 1
1 1005 . 9 1 1 A 85 85 ARG H H 85 8.390 9.035 -0.645 1
1 1006 . 9 1 1 A 85 85 ARG HA H 85 4.390 4.379 0.011 1
1 1009 . 9 1 1 A 85 85 ARG C C 85 176.100 174.939 1.161 1
1 1010 . 9 1 1 A 85 85 ARG CA C 85 56.000 55.212 0.788 1
1 1011 . 9 1 1 A 85 85 ARG CB C 85 31.000 28.589 2.411 1
1 1014 . 9 1 1 A 85 85 ARG N N 85 122.800 125.129 -2.329 1
1 1015 . 9 1 1 A 86 86 SER H H 86 8.430 8.028 0.402 1
1 1016 . 9 1 1 A 86 86 SER HA H 86 4.470 4.811 -0.341 1
1 1019 . 9 1 1 A 86 86 SER C C 86 173.300 172.953 0.347 1
1 1020 . 9 1 1 A 86 86 SER CA C 86 58.200 56.934 1.266 1
1 1021 . 9 1 1 A 86 86 SER CB C 86 64.000 65.013 -1.013 1
1 1022 . 9 1 1 A 86 86 SER N N 86 117.500 119.540 -2.040 1
1 1023 . 9 1 1 A 87 87 ASN H H 87 8.120 8.839 -0.719 1
1 1024 . 9 1 1 A 87 87 ASN HA H 87 4.470 4.864 -0.394 1
1 1029 . 9 1 1 A 87 87 ASN CA C 87 54.800 52.424 2.376 1
1 1030 . 9 1 1 A 87 87 ASN CB C 87 40.100 37.233 2.867 1
1 1031 . 9 1 1 A 87 87 ASN N N 87 125.900 125.878 0.022 1
1 1033 . 9 1 1 A 88 88 ASP HA H 88 4.640 4.776 -0.136 1
1 1036 . 9 1 1 A 88 88 ASP C C 88 175.700 176.166 -0.466 1
1 1037 . 9 1 1 A 88 88 ASP CA C 88 54.500 54.336 0.164 1
1 1038 . 9 1 1 A 88 88 ASP CB C 88 41.100 41.221 -0.121 1
1 1039 . 9 1 1 A 89 89 ILE H H 89 8.000 8.673 -0.673 1
1 1040 . 9 1 1 A 89 89 ILE HA H 89 4.160 5.027 -0.867 1
1 1050 . 9 1 1 A 89 89 ILE C C 89 175.200 174.999 0.201 1
1 1051 . 9 1 1 A 89 89 ILE CA C 89 61.100 59.162 1.938 1
1 1052 . 9 1 1 A 89 89 ILE CB C 89 38.500 40.535 -2.035 1
1 1056 . 9 1 1 A 89 89 ILE N N 89 120.400 119.888 0.512 1
1 1057 . 9 1 1 A 90 90 LEU H H 90 7.880 8.760 -0.880 1
1 1058 . 9 1 1 A 90 90 LEU HA H 90 4.190 5.009 -0.819 1
1 1067 . 9 1 1 A 90 90 LEU CA C 90 56.700 53.230 3.470 1
1 1068 . 9 1 1 A 90 90 LEU CB C 90 43.300 44.709 -1.409 1
1 1072 . 9 1 1 A 90 90 LEU N N 90 131.900 123.073 8.827 1
1 1073 . 9 1 1 A 93 93 ALA HA H 93 4.370 4.055 0.315 1
1 1077 . 9 1 1 A 93 93 ALA C C 93 176.600 176.768 -0.168 1
1 1078 . 9 1 1 A 93 93 ALA CA C 93 52.300 54.005 -1.705 1
1 1079 . 9 1 1 A 93 93 ALA CB C 93 19.200 18.269 0.931 1
1 1080 . 9 1 1 A 94 94 SER H H 94 7.910 8.763 -0.853 1
1 1081 . 9 1 1 A 94 94 SER HA H 94 4.250 4.087 0.163 1
1 1084 . 9 1 1 A 94 94 SER CA C 94 59.900 58.809 1.091 1
1 1085 . 9 1 1 A 94 94 SER CB C 94 64.700 61.973 2.727 1
1 1 . 10 1 1 A 2 2 THR HA H 2 4.360 3.880 0.480 1
1 6 . 10 1 1 A 2 2 THR C C 2 174.300 174.036 0.264 1
1 7 . 10 1 1 A 2 2 THR CA C 2 61.900 66.278 -4.378 1
1 8 . 10 1 1 A 2 2 THR CB C 2 69.900 66.799 3.101 1
1 10 . 10 1 1 A 3 3 LYS H H 3 8.520 8.522 -0.002 1
1 11 . 10 1 1 A 3 3 LYS HA H 3 4.320 4.538 -0.218 1
1 20 . 10 1 1 A 3 3 LYS C C 3 176.100 176.361 -0.261 1
1 21 . 10 1 1 A 3 3 LYS CA C 3 56.400 54.872 1.528 1
1 22 . 10 1 1 A 3 3 LYS CB C 3 33.000 30.506 2.494 1
1 26 . 10 1 1 A 3 3 LYS N N 3 124.100 117.627 6.473 1
1 27 . 10 1 1 A 4 4 ASN H H 4 8.560 8.925 -0.365 1
1 28 . 10 1 1 A 4 4 ASN HA H 4 4.760 4.754 0.006 1
1 33 . 10 1 1 A 4 4 ASN C C 4 175.200 174.881 0.319 1
1 34 . 10 1 1 A 4 4 ASN CA C 4 53.300 54.586 -1.286 1
1 35 . 10 1 1 A 4 4 ASN CB C 4 38.900 40.128 -1.228 1
1 36 . 10 1 1 A 4 4 ASN N N 4 120.200 124.262 -4.062 1
1 38 . 10 1 1 A 5 5 THR H H 5 8.130 7.665 0.465 1
1 39 . 10 1 1 A 5 5 THR HA H 5 4.310 4.634 -0.324 1
1 44 . 10 1 1 A 5 5 THR C C 5 173.900 173.278 0.622 1
1 45 . 10 1 1 A 5 5 THR CA C 5 61.800 60.445 1.355 1
1 46 . 10 1 1 A 5 5 THR CB C 5 69.500 71.457 -1.957 1
1 48 . 10 1 1 A 5 5 THR N N 5 114.900 113.120 1.780 1
1 49 . 10 1 1 A 6 6 ARG H H 6 8.160 8.298 -0.138 1
1 50 . 10 1 1 A 6 6 ARG HA H 6 4.300 4.670 -0.370 1
1 57 . 10 1 1 A 6 6 ARG C C 6 176.300 174.179 2.121 1
1 58 . 10 1 1 A 6 6 ARG CA C 6 56.300 55.116 1.184 1
1 59 . 10 1 1 A 6 6 ARG CB C 6 30.700 34.033 -3.333 1
1 62 . 10 1 1 A 6 6 ARG N N 6 123.600 126.727 -3.127 1
1 63 . 10 1 1 A 7 7 PHE H H 7 8.460 9.204 -0.744 1
1 64 . 10 1 1 A 7 7 PHE HA H 7 4.760 4.805 -0.045 1
1 72 . 10 1 1 A 7 7 PHE C C 7 175.000 175.229 -0.229 1
1 73 . 10 1 1 A 7 7 PHE CA C 7 56.700 56.978 -0.278 1
1 74 . 10 1 1 A 7 7 PHE CB C 7 40.300 37.849 2.451 1
1 80 . 10 1 1 A 7 7 PHE N N 7 121.500 127.409 -5.909 1
1 81 . 10 1 1 A 8 8 SER H H 8 8.520 8.230 0.290 1
1 82 . 10 1 1 A 8 8 SER HA H 8 4.600 4.793 -0.193 1
1 85 . 10 1 1 A 8 8 SER CA C 8 56.700 55.015 1.685 1
1 86 . 10 1 1 A 8 8 SER CB C 8 62.600 63.324 -0.724 1
1 87 . 10 1 1 A 8 8 SER N N 8 121.500 120.564 0.936 1
1 88 . 10 1 1 A 9 9 PRO HA H 9 3.920 4.196 -0.276 1
1 95 . 10 1 1 A 9 9 PRO C C 9 178.500 178.578 -0.078 1
1 96 . 10 1 1 A 9 9 PRO CA C 9 65.800 64.784 1.016 1
1 97 . 10 1 1 A 9 9 PRO CB C 9 31.500 31.837 -0.337 1
1 100 . 10 1 1 A 10 10 GLU H H 10 8.610 7.923 0.687 1
1 101 . 10 1 1 A 10 10 GLU HA H 10 3.990 4.034 -0.044 1
1 106 . 10 1 1 A 10 10 GLU C C 10 179.100 179.300 -0.200 1
1 107 . 10 1 1 A 10 10 GLU CA C 10 60.000 59.213 0.787 1
1 108 . 10 1 1 A 10 10 GLU CB C 10 28.800 29.130 -0.330 1
1 110 . 10 1 1 A 10 10 GLU N N 10 116.600 118.133 -1.533 1
1 111 . 10 1 1 A 11 11 VAL H H 11 7.510 8.117 -0.607 1
1 112 . 10 1 1 A 11 11 VAL HA H 11 3.610 3.449 0.161 1
1 120 . 10 1 1 A 11 11 VAL C C 11 177.700 178.036 -0.336 1
1 121 . 10 1 1 A 11 11 VAL CA C 11 66.400 66.638 -0.238 1
1 122 . 10 1 1 A 11 11 VAL CB C 11 31.600 31.293 0.307 1
1 125 . 10 1 1 A 11 11 VAL N N 11 122.700 120.863 1.837 1
1 126 . 10 1 1 A 12 12 ARG H H 12 7.800 7.711 0.089 1
1 127 . 10 1 1 A 12 12 ARG HA H 12 3.440 2.840 0.600 1
1 135 . 10 1 1 A 12 12 ARG C C 12 178.000 177.793 0.207 1
1 136 . 10 1 1 A 12 12 ARG CA C 12 59.300 59.081 0.219 1
1 137 . 10 1 1 A 12 12 ARG CB C 12 29.600 28.837 0.763 1
1 140 . 10 1 1 A 12 12 ARG N N 12 118.700 119.468 -0.768 1
1 142 . 10 1 1 A 13 13 GLN H H 13 8.050 7.801 0.249 1
1 143 . 10 1 1 A 13 13 GLN HA H 13 3.860 3.974 -0.114 1
1 150 . 10 1 1 A 13 13 GLN C C 13 178.800 178.329 0.471 1
1 151 . 10 1 1 A 13 13 GLN CA C 13 58.600 59.048 -0.448 1
1 152 . 10 1 1 A 13 13 GLN CB C 13 28.300 28.477 -0.177 1
1 154 . 10 1 1 A 13 13 GLN N N 13 116.100 118.297 -2.197 1
1 156 . 10 1 1 A 14 14 ARG H H 14 7.750 8.076 -0.326 1
1 157 . 10 1 1 A 14 14 ARG HA H 14 3.970 4.018 -0.048 1
1 164 . 10 1 1 A 14 14 ARG C C 14 177.900 178.768 -0.868 1
1 165 . 10 1 1 A 14 14 ARG CA C 14 59.100 58.974 0.126 1
1 166 . 10 1 1 A 14 14 ARG CB C 14 30.000 30.263 -0.263 1
1 169 . 10 1 1 A 14 14 ARG N N 14 120.400 119.002 1.398 1
1 170 . 10 1 1 A 15 15 ALA H H 15 8.500 7.855 0.645 1
1 171 . 10 1 1 A 15 15 ALA HA H 15 4.040 4.139 -0.099 1
1 175 . 10 1 1 A 15 15 ALA C C 15 178.800 179.968 -1.168 1
1 176 . 10 1 1 A 15 15 ALA CA C 15 55.300 55.250 0.050 1
1 177 . 10 1 1 A 15 15 ALA CB C 15 19.700 18.793 0.907 1
1 178 . 10 1 1 A 15 15 ALA N N 15 122.200 122.015 0.185 1
1 179 . 10 1 1 A 16 16 VAL H H 16 8.230 8.051 0.179 1
1 180 . 10 1 1 A 16 16 VAL HA H 16 3.360 3.409 -0.049 1
1 188 . 10 1 1 A 16 16 VAL C C 16 177.700 178.142 -0.442 1
1 189 . 10 1 1 A 16 16 VAL CA C 16 67.100 66.982 0.118 1
1 190 . 10 1 1 A 16 16 VAL CB C 16 31.600 31.411 0.189 1
1 193 . 10 1 1 A 16 16 VAL N N 16 116.500 118.425 -1.925 1
1 194 . 10 1 1 A 17 17 ARG H H 17 7.900 7.700 0.200 1
1 195 . 10 1 1 A 17 17 ARG HA H 17 3.830 3.886 -0.056 1
1 202 . 10 1 1 A 17 17 ARG C C 17 178.000 178.448 -0.448 1
1 203 . 10 1 1 A 17 17 ARG CA C 17 59.700 59.365 0.335 1
1 204 . 10 1 1 A 17 17 ARG CB C 17 29.200 29.858 -0.658 1
1 207 . 10 1 1 A 17 17 ARG N N 17 119.000 119.909 -0.909 1
1 208 . 10 1 1 A 18 18 MET H H 18 8.210 8.369 -0.159 1
1 209 . 10 1 1 A 18 18 MET HA H 18 4.090 4.196 -0.106 1
1 217 . 10 1 1 A 18 18 MET C C 18 179.400 178.842 0.558 1
1 218 . 10 1 1 A 18 18 MET CA C 18 59.500 58.525 0.975 1
1 219 . 10 1 1 A 18 18 MET CB C 18 33.600 32.881 0.719 1
1 222 . 10 1 1 A 18 18 MET N N 18 117.300 118.519 -1.219 1
1 223 . 10 1 1 A 19 19 VAL H H 19 7.790 8.402 -0.612 1
1 224 . 10 1 1 A 19 19 VAL HA H 19 3.390 3.651 -0.261 1
1 232 . 10 1 1 A 19 19 VAL C C 19 177.200 178.284 -1.084 1
1 233 . 10 1 1 A 19 19 VAL CA C 19 66.100 67.111 -1.011 1
1 234 . 10 1 1 A 19 19 VAL CB C 19 31.600 31.342 0.258 1
1 237 . 10 1 1 A 19 19 VAL N N 19 119.900 119.654 0.246 1
1 238 . 10 1 1 A 20 20 LEU H H 20 8.280 8.162 0.118 1
1 239 . 10 1 1 A 20 20 LEU HA H 20 4.070 3.896 0.174 1
1 249 . 10 1 1 A 20 20 LEU C C 20 180.600 179.239 1.361 1
1 250 . 10 1 1 A 20 20 LEU CA C 20 57.900 58.486 -0.586 1
1 251 . 10 1 1 A 20 20 LEU CB C 20 40.800 41.495 -0.695 1
1 255 . 10 1 1 A 20 20 LEU N N 20 118.400 119.660 -1.260 1
1 256 . 10 1 1 A 21 21 GLU H H 21 8.690 8.697 -0.007 1
1 257 . 10 1 1 A 21 21 GLU HA H 21 4.230 4.015 0.215 1
1 262 . 10 1 1 A 21 21 GLU C C 21 178.200 179.025 -0.825 1
1 263 . 10 1 1 A 21 21 GLU CA C 21 57.900 59.949 -2.049 1
1 264 . 10 1 1 A 21 21 GLU CB C 21 29.700 29.380 0.320 1
1 266 . 10 1 1 A 21 21 GLU N N 21 115.900 119.084 -3.184 1
1 267 . 10 1 1 A 22 22 SER H H 22 7.580 8.448 -0.868 1
1 268 . 10 1 1 A 22 22 SER HA H 22 4.790 4.536 0.254 1
1 271 . 10 1 1 A 22 22 SER C C 22 175.200 176.436 -1.236 1
1 272 . 10 1 1 A 22 22 SER CA C 22 59.500 61.485 -1.985 1
1 273 . 10 1 1 A 22 22 SER CB C 22 64.500 63.242 1.258 1
1 274 . 10 1 1 A 22 22 SER N N 22 113.000 117.284 -4.284 1
1 275 . 10 1 1 A 23 23 GLN H H 23 7.780 8.387 -0.607 1
1 276 . 10 1 1 A 23 23 GLN HA H 23 4.800 4.147 0.653 1
1 283 . 10 1 1 A 23 23 GLN C C 23 177.100 178.391 -1.291 1
1 284 . 10 1 1 A 23 23 GLN CA C 23 57.800 59.464 -1.664 1
1 285 . 10 1 1 A 23 23 GLN CB C 23 28.100 28.412 -0.312 1
1 287 . 10 1 1 A 23 23 GLN N N 23 119.900 122.352 -2.452 1
1 289 . 10 1 1 A 24 24 GLY H H 24 8.680 7.962 0.718 1
1 290 . 10 1 1 A 24 24 GLY HA2 H 24 3.860 3.982 -0.122 1
1 291 . 10 1 1 A 24 24 GLY HA3 H 24 4.110 3.988 0.122 1
1 292 . 10 1 1 A 24 24 GLY C C 24 175.100 175.008 0.092 1
1 293 . 10 1 1 A 24 24 GLY CA C 24 45.900 46.035 -0.135 1
1 294 . 10 1 1 A 24 24 GLY N N 24 108.500 107.019 1.481 1
1 295 . 10 1 1 A 25 25 GLU H H 25 8.110 7.939 0.171 1
1 296 . 10 1 1 A 25 25 GLU HA H 25 4.210 4.357 -0.147 1
1 301 . 10 1 1 A 25 25 GLU C C 25 175.400 176.796 -1.396 1
1 302 . 10 1 1 A 25 25 GLU CA C 25 56.100 57.997 -1.897 1
1 303 . 10 1 1 A 25 25 GLU CB C 25 29.700 31.040 -1.340 1
1 305 . 10 1 1 A 25 25 GLU N N 25 118.200 118.321 -0.121 1
1 306 . 10 1 1 A 26 26 TYR H H 26 7.690 8.124 -0.434 1
1 307 . 10 1 1 A 26 26 TYR HA H 26 4.690 4.552 0.138 1
1 314 . 10 1 1 A 26 26 TYR C C 26 175.800 176.550 -0.750 1
1 315 . 10 1 1 A 26 26 TYR CA C 26 57.000 58.511 -1.511 1
1 316 . 10 1 1 A 26 26 TYR CB C 26 42.200 39.539 2.661 1
1 321 . 10 1 1 A 26 26 TYR N N 26 117.700 118.629 -0.929 1
1 322 . 10 1 1 A 27 27 ASP H H 27 8.850 9.008 -0.158 1
1 323 . 10 1 1 A 27 27 ASP HA H 27 4.520 4.593 -0.073 1
1 326 . 10 1 1 A 27 27 ASP C C 27 175.900 175.771 0.129 1
1 327 . 10 1 1 A 27 27 ASP CA C 27 55.400 54.687 0.713 1
1 328 . 10 1 1 A 27 27 ASP CB C 27 41.200 41.144 0.056 1
1 329 . 10 1 1 A 27 27 ASP N N 27 117.500 120.613 -3.113 1
1 330 . 10 1 1 A 28 28 SER H H 28 7.550 7.806 -0.256 1
1 331 . 10 1 1 A 28 28 SER HA H 28 4.740 4.874 -0.134 1
1 334 . 10 1 1 A 28 28 SER CA C 28 57.200 56.440 0.760 1
1 335 . 10 1 1 A 28 28 SER CB C 28 65.800 65.551 0.249 1
1 336 . 10 1 1 A 28 28 SER N N 28 109.000 114.222 -5.222 1
1 337 . 10 1 1 A 29 29 GLN HA H 29 3.950 4.064 -0.114 1
1 344 . 10 1 1 A 29 29 GLN C C 29 178.100 177.493 0.607 1
1 345 . 10 1 1 A 29 29 GLN CA C 29 60.200 58.698 1.502 1
1 346 . 10 1 1 A 29 29 GLN CB C 29 29.900 28.377 1.523 1
1 349 . 10 1 1 A 30 30 TRP H H 30 9.010 8.057 0.953 1
1 350 . 10 1 1 A 30 30 TRP HA H 30 4.720 4.409 0.311 1
1 359 . 10 1 1 A 30 30 TRP C C 30 177.100 179.370 -2.270 1
1 360 . 10 1 1 A 30 30 TRP CA C 30 59.300 60.152 -0.852 1
1 361 . 10 1 1 A 30 30 TRP CB C 30 30.000 28.611 1.389 1
1 367 . 10 1 1 A 30 30 TRP N N 30 121.400 120.703 0.697 1
1 369 . 10 1 1 A 31 31 ALA H H 31 8.360 8.037 0.323 1
1 370 . 10 1 1 A 31 31 ALA HA H 31 3.790 4.095 -0.305 1
1 374 . 10 1 1 A 31 31 ALA C C 31 180.300 179.565 0.735 1
1 375 . 10 1 1 A 31 31 ALA CA C 31 55.300 55.111 0.189 1
1 376 . 10 1 1 A 31 31 ALA CB C 31 18.200 17.948 0.252 1
1 377 . 10 1 1 A 31 31 ALA N N 31 121.600 122.452 -0.852 1
1 378 . 10 1 1 A 32 32 THR H H 32 7.420 7.493 -0.073 1
1 379 . 10 1 1 A 32 32 THR HA H 32 2.620 3.247 -0.627 1
1 384 . 10 1 1 A 32 32 THR C C 32 176.700 176.285 0.415 1
1 385 . 10 1 1 A 32 32 THR CA C 32 66.200 67.089 -0.889 1
1 386 . 10 1 1 A 32 32 THR CB C 32 67.800 68.928 -1.128 1
1 388 . 10 1 1 A 32 32 THR N N 32 115.700 113.914 1.786 1
1 389 . 10 1 1 A 33 33 ILE H H 33 8.490 8.085 0.405 1
1 390 . 10 1 1 A 33 33 ILE HA H 33 3.180 3.643 -0.463 1
1 400 . 10 1 1 A 33 33 ILE C C 33 177.300 177.575 -0.275 1
1 401 . 10 1 1 A 33 33 ILE CA C 33 65.900 65.193 0.707 1
1 402 . 10 1 1 A 33 33 ILE CB C 33 37.700 37.413 0.287 1
1 406 . 10 1 1 A 33 33 ILE N N 33 124.100 120.529 3.571 1
1 407 . 10 1 1 A 34 34 CYS H H 34 8.060 8.103 -0.043 1
1 408 . 10 1 1 A 34 34 CYS HA H 34 3.610 4.154 -0.544 1
1 411 . 10 1 1 A 34 34 CYS C C 34 175.800 175.953 -0.153 1
1 412 . 10 1 1 A 34 34 CYS CA C 34 63.800 62.119 1.681 1
1 413 . 10 1 1 A 34 34 CYS CB C 34 26.400 27.332 -0.932 1
1 414 . 10 1 1 A 34 34 CYS N N 34 115.900 120.983 -5.083 1
1 415 . 10 1 1 A 35 35 SER H H 35 7.150 7.678 -0.528 1
1 416 . 10 1 1 A 35 35 SER HA H 35 4.260 4.453 -0.193 1
1 419 . 10 1 1 A 35 35 SER C C 35 175.500 175.300 0.200 1
1 420 . 10 1 1 A 35 35 SER CA C 35 60.200 60.087 0.113 1
1 421 . 10 1 1 A 35 35 SER CB C 35 63.600 63.940 -0.340 1
1 422 . 10 1 1 A 35 35 SER N N 35 113.600 115.588 -1.988 1
1 423 . 10 1 1 A 36 36 ILE H H 36 7.650 7.592 0.058 1
1 424 . 10 1 1 A 36 36 ILE HA H 36 3.850 3.856 -0.006 1
1 434 . 10 1 1 A 36 36 ILE C C 36 176.900 177.753 -0.853 1
1 435 . 10 1 1 A 36 36 ILE CA C 36 61.700 63.674 -1.974 1
1 436 . 10 1 1 A 36 36 ILE CB C 36 37.700 37.601 0.099 1
1 440 . 10 1 1 A 36 36 ILE N N 36 120.700 121.090 -0.390 1
1 441 . 10 1 1 A 37 37 ALA H H 37 8.200 8.024 0.176 1
1 442 . 10 1 1 A 37 37 ALA HA H 37 3.860 4.021 -0.161 1
1 446 . 10 1 1 A 37 37 ALA CA C 37 57.400 57.136 0.264 1
1 447 . 10 1 1 A 37 37 ALA CB C 37 14.900 17.125 -2.225 1
1 448 . 10 1 1 A 37 37 ALA N N 37 122.200 124.260 -2.060 1
1 449 . 10 1 1 A 38 38 PRO HA H 38 4.470 4.409 0.061 1
1 456 . 10 1 1 A 38 38 PRO C C 38 178.800 178.174 0.626 1
1 457 . 10 1 1 A 38 38 PRO CA C 38 65.600 64.158 1.442 1
1 458 . 10 1 1 A 38 38 PRO CB C 38 31.000 32.298 -1.298 1
1 461 . 10 1 1 A 39 39 LYS H H 39 7.680 8.031 -0.351 1
1 462 . 10 1 1 A 39 39 LYS HA H 39 4.150 4.196 -0.046 1
1 471 . 10 1 1 A 39 39 LYS C C 39 177.800 177.808 -0.008 1
1 472 . 10 1 1 A 39 39 LYS CA C 39 58.000 59.140 -1.140 1
1 473 . 10 1 1 A 39 39 LYS CB C 39 31.800 32.599 -0.799 1
1 477 . 10 1 1 A 39 39 LYS N N 39 115.500 118.152 -2.652 1
1 478 . 10 1 1 A 40 40 ILE H H 40 7.540 7.379 0.161 1
1 479 . 10 1 1 A 40 40 ILE HA H 40 4.130 4.343 -0.213 1
1 489 . 10 1 1 A 40 40 ILE C C 40 176.500 176.469 0.031 1
1 490 . 10 1 1 A 40 40 ILE CA C 40 59.600 61.836 -2.236 1
1 491 . 10 1 1 A 40 40 ILE CB C 40 37.300 39.699 -2.399 1
1 495 . 10 1 1 A 40 40 ILE N N 40 117.500 117.525 -0.025 1
1 496 . 10 1 1 A 41 41 GLY H H 41 8.430 8.241 0.189 1
1 497 . 10 1 1 A 41 41 GLY HA2 H 41 4.550 4.072 0.478 1
1 498 . 10 1 1 A 41 41 GLY HA3 H 41 3.790 4.090 -0.300 1
1 499 . 10 1 1 A 41 41 GLY C C 41 173.900 173.792 0.108 1
1 500 . 10 1 1 A 41 41 GLY CA C 41 44.900 45.352 -0.452 1
1 501 . 10 1 1 A 41 41 GLY N N 41 105.100 108.316 -3.216 1
1 502 . 10 1 1 A 42 42 CYS H H 42 7.360 7.811 -0.451 1
1 503 . 10 1 1 A 42 42 CYS HA H 42 5.220 5.031 0.189 1
1 506 . 10 1 1 A 42 42 CYS C C 42 173.100 173.489 -0.389 1
1 507 . 10 1 1 A 42 42 CYS CA C 42 53.300 58.045 -4.745 1
1 508 . 10 1 1 A 42 42 CYS CB C 42 31.700 32.895 -1.195 1
1 509 . 10 1 1 A 42 42 CYS N N 42 115.400 118.650 -3.250 1
1 510 . 10 1 1 A 43 43 THR H H 43 8.550 8.628 -0.078 1
1 511 . 10 1 1 A 43 43 THR HA H 43 4.560 4.895 -0.335 1
1 516 . 10 1 1 A 43 43 THR CA C 43 59.800 59.609 0.191 1
1 517 . 10 1 1 A 43 43 THR CB C 43 68.500 69.206 -0.706 1
1 519 . 10 1 1 A 43 43 THR N N 43 111.500 114.101 -2.601 1
1 520 . 10 1 1 A 44 44 PRO HA H 44 3.680 4.245 -0.565 1
1 527 . 10 1 1 A 44 44 PRO C C 44 177.300 178.766 -1.466 1
1 528 . 10 1 1 A 44 44 PRO CA C 44 65.200 65.091 0.109 1
1 529 . 10 1 1 A 44 44 PRO CB C 44 32.400 31.877 0.523 1
1 532 . 10 1 1 A 45 45 GLU H H 45 8.900 8.294 0.606 1
1 533 . 10 1 1 A 45 45 GLU HA H 45 3.990 3.987 0.003 1
1 538 . 10 1 1 A 45 45 GLU C C 45 179.000 179.299 -0.299 1
1 539 . 10 1 1 A 45 45 GLU CA C 45 61.300 59.438 1.862 1
1 540 . 10 1 1 A 45 45 GLU CB C 45 28.200 29.193 -0.993 1
1 542 . 10 1 1 A 45 45 GLU N N 45 117.100 118.409 -1.309 1
1 543 . 10 1 1 A 46 46 THR H H 46 7.680 7.661 0.019 1
1 544 . 10 1 1 A 46 46 THR HA H 46 3.560 3.572 -0.012 1
1 549 . 10 1 1 A 46 46 THR C C 46 173.800 176.170 -2.370 1
1 550 . 10 1 1 A 46 46 THR CA C 46 66.300 66.842 -0.542 1
1 551 . 10 1 1 A 46 46 THR CB C 46 68.000 67.411 0.589 1
1 553 . 10 1 1 A 46 46 THR N N 46 118.800 118.400 0.400 1
1 554 . 10 1 1 A 47 47 LEU H H 47 7.040 7.782 -0.742 1
1 555 . 10 1 1 A 47 47 LEU HA H 47 3.170 3.814 -0.644 1
1 565 . 10 1 1 A 47 47 LEU C C 47 177.500 179.198 -1.698 1
1 566 . 10 1 1 A 47 47 LEU CA C 47 56.800 57.925 -1.125 1
1 567 . 10 1 1 A 47 47 LEU CB C 47 40.500 41.192 -0.692 1
1 571 . 10 1 1 A 47 47 LEU N N 47 120.600 120.816 -0.216 1
1 572 . 10 1 1 A 48 48 ARG H H 48 8.430 7.938 0.492 1
1 573 . 10 1 1 A 48 48 ARG HA H 48 3.880 3.927 -0.047 1
1 580 . 10 1 1 A 48 48 ARG C C 48 177.400 178.845 -1.445 1
1 581 . 10 1 1 A 48 48 ARG CA C 48 60.200 59.528 0.672 1
1 582 . 10 1 1 A 48 48 ARG CB C 48 30.500 29.737 0.763 1
1 585 . 10 1 1 A 48 48 ARG N N 48 118.200 118.637 -0.437 1
1 586 . 10 1 1 A 49 49 VAL H H 49 7.400 7.547 -0.147 1
1 587 . 10 1 1 A 49 49 VAL HA H 49 3.630 3.539 0.091 1
1 595 . 10 1 1 A 49 49 VAL C C 49 178.900 178.316 0.584 1
1 596 . 10 1 1 A 49 49 VAL CA C 49 67.200 66.309 0.891 1
1 597 . 10 1 1 A 49 49 VAL CB C 49 30.700 31.584 -0.884 1
1 600 . 10 1 1 A 49 49 VAL N N 49 120.300 119.436 0.864 1
1 601 . 10 1 1 A 50 50 TRP H H 50 7.850 8.107 -0.257 1
1 602 . 10 1 1 A 50 50 TRP HA H 50 4.740 4.429 0.311 1
1 611 . 10 1 1 A 50 50 TRP C C 50 180.400 179.013 1.387 1
1 612 . 10 1 1 A 50 50 TRP CA C 50 57.800 60.095 -2.295 1
1 613 . 10 1 1 A 50 50 TRP CB C 50 28.700 29.413 -0.713 1
1 619 . 10 1 1 A 50 50 TRP N N 50 120.300 119.980 0.320 1
1 621 . 10 1 1 A 51 51 VAL H H 51 8.820 8.578 0.242 1
1 622 . 10 1 1 A 51 51 VAL HA H 51 3.690 3.698 -0.008 1
1 630 . 10 1 1 A 51 51 VAL C C 51 177.700 178.395 -0.695 1
1 631 . 10 1 1 A 51 51 VAL CA C 51 66.800 66.734 0.066 1
1 632 . 10 1 1 A 51 51 VAL CB C 51 32.000 31.358 0.642 1
1 635 . 10 1 1 A 51 51 VAL N N 51 121.300 120.039 1.261 1
1 636 . 10 1 1 A 52 52 ARG H H 52 8.740 7.826 0.914 1
1 637 . 10 1 1 A 52 52 ARG HA H 52 4.260 4.009 0.251 1
1 644 . 10 1 1 A 52 52 ARG C C 52 179.500 178.809 0.691 1
1 645 . 10 1 1 A 52 52 ARG CA C 52 58.900 58.970 -0.070 1
1 646 . 10 1 1 A 52 52 ARG CB C 52 29.900 29.844 0.056 1
1 649 . 10 1 1 A 52 52 ARG N N 52 120.200 120.077 0.123 1
1 650 . 10 1 1 A 53 53 GLN H H 53 8.540 8.217 0.323 1
1 651 . 10 1 1 A 53 53 GLN HA H 53 4.050 4.126 -0.076 1
1 658 . 10 1 1 A 53 53 GLN C C 53 177.600 178.586 -0.986 1
1 659 . 10 1 1 A 53 53 GLN CA C 53 58.700 58.868 -0.168 1
1 660 . 10 1 1 A 53 53 GLN CB C 53 28.100 28.373 -0.273 1
1 662 . 10 1 1 A 53 53 GLN N N 53 119.100 118.647 0.453 1
1 664 . 10 1 1 A 54 54 HIS H H 54 8.010 8.120 -0.110 1
1 665 . 10 1 1 A 54 54 HIS HA H 54 4.410 4.251 0.159 1
1 668 . 10 1 1 A 54 54 HIS C C 54 177.800 176.958 0.842 1
1 669 . 10 1 1 A 54 54 HIS CA C 54 59.700 59.464 0.236 1
1 670 . 10 1 1 A 54 54 HIS CB C 54 30.600 29.844 0.756 1
1 671 . 10 1 1 A 54 54 HIS N N 54 119.300 121.199 -1.899 1
1 672 . 10 1 1 A 55 55 GLU H H 55 8.460 8.395 0.065 1
1 673 . 10 1 1 A 55 55 GLU HA H 55 3.940 3.916 0.024 1
1 678 . 10 1 1 A 55 55 GLU C C 55 178.400 179.659 -1.259 1
1 679 . 10 1 1 A 55 55 GLU CA C 55 58.800 59.925 -1.125 1
1 680 . 10 1 1 A 55 55 GLU CB C 55 29.800 29.107 0.693 1
1 682 . 10 1 1 A 55 55 GLU N N 55 119.700 119.302 0.398 1
1 683 . 10 1 1 A 56 56 ARG H H 56 7.990 7.886 0.104 1
1 684 . 10 1 1 A 56 56 ARG HA H 56 4.160 4.115 0.045 1
1 691 . 10 1 1 A 56 56 ARG C C 56 177.800 178.616 -0.816 1
1 692 . 10 1 1 A 56 56 ARG CA C 56 58.100 58.538 -0.438 1
1 693 . 10 1 1 A 56 56 ARG CB C 56 30.100 29.969 0.131 1
1 696 . 10 1 1 A 56 56 ARG N N 56 119.200 119.859 -0.659 1
1 697 . 10 1 1 A 57 57 ASP H H 57 8.300 7.823 0.477 1
1 698 . 10 1 1 A 57 57 ASP HA H 57 4.550 4.295 0.255 1
1 701 . 10 1 1 A 57 57 ASP C C 57 177.400 177.717 -0.317 1
1 702 . 10 1 1 A 57 57 ASP CA C 57 55.800 57.329 -1.529 1
1 703 . 10 1 1 A 57 57 ASP CB C 57 40.800 41.039 -0.239 1
1 704 . 10 1 1 A 57 57 ASP N N 57 120.000 119.517 0.483 1
1 705 . 10 1 1 A 58 58 THR H H 58 7.890 7.499 0.391 1
1 706 . 10 1 1 A 58 58 THR HA H 58 4.310 4.172 0.138 1
1 711 . 10 1 1 A 58 58 THR C C 58 175.500 176.396 -0.896 1
1 712 . 10 1 1 A 58 58 THR CA C 58 62.200 64.875 -2.675 1
1 713 . 10 1 1 A 58 58 THR CB C 58 69.800 69.464 0.336 1
1 715 . 10 1 1 A 58 58 THR N N 58 111.300 113.043 -1.743 1
1 716 . 10 1 1 A 59 59 GLY H H 59 8.070 8.212 -0.142 1
1 717 . 10 1 1 A 59 59 GLY HA2 H 59 4.010 3.742 0.268 1
1 718 . 10 1 1 A 59 59 GLY HA3 H 59 4.010 3.743 0.267 1
1 719 . 10 1 1 A 59 59 GLY C C 59 174.700 175.767 -1.067 1
1 720 . 10 1 1 A 59 59 GLY CA C 59 45.600 46.964 -1.364 1
1 721 . 10 1 1 A 59 59 GLY N N 59 110.600 107.966 2.634 1
1 722 . 10 1 1 A 60 60 GLY H H 60 8.260 8.417 -0.157 1
1 723 . 10 1 1 A 60 60 GLY HA2 H 60 3.990 3.933 0.057 1
1 724 . 10 1 1 A 60 60 GLY HA3 H 60 3.990 3.933 0.057 1
1 725 . 10 1 1 A 60 60 GLY C C 60 173.900 174.215 -0.315 1
1 726 . 10 1 1 A 60 60 GLY CA C 60 45.100 47.163 -2.063 1
1 727 . 10 1 1 A 60 60 GLY N N 60 108.700 108.491 0.209 1
1 728 . 10 1 1 A 61 61 ASP H H 61 8.320 8.116 0.204 1
1 729 . 10 1 1 A 61 61 ASP HA H 61 4.650 4.305 0.345 1
1 732 . 10 1 1 A 61 61 ASP C C 61 176.200 175.462 0.738 1
1 733 . 10 1 1 A 61 61 ASP CA C 61 54.200 56.939 -2.739 1
1 734 . 10 1 1 A 61 61 ASP CB C 61 41.300 41.646 -0.346 1
1 735 . 10 1 1 A 61 61 ASP N N 61 120.500 124.326 -3.826 1
1 736 . 10 1 1 A 62 62 ASP H H 62 8.400 7.989 0.411 1
1 737 . 10 1 1 A 62 62 ASP HA H 62 4.600 4.149 0.451 1
1 740 . 10 1 1 A 62 62 ASP C C 62 177.100 175.314 1.786 1
1 741 . 10 1 1 A 62 62 ASP CA C 62 54.200 55.241 -1.041 1
1 742 . 10 1 1 A 62 62 ASP CB C 62 41.100 38.764 2.336 1
1 743 . 10 1 1 A 62 62 ASP N N 62 121.100 117.872 3.228 1
1 744 . 10 1 1 A 63 63 GLY H H 63 8.500 8.150 0.350 1
1 745 . 10 1 1 A 63 63 GLY HA2 H 63 3.950 4.159 -0.209 1
1 746 . 10 1 1 A 63 63 GLY HA3 H 63 3.950 4.159 -0.209 1
1 747 . 10 1 1 A 63 63 GLY C C 63 175.000 174.719 0.281 1
1 748 . 10 1 1 A 63 63 GLY CA C 63 45.700 44.461 1.239 1
1 749 . 10 1 1 A 63 63 GLY N N 63 109.400 107.019 2.381 1
1 750 . 10 1 1 A 64 64 GLY H H 64 8.360 8.883 -0.523 1
1 751 . 10 1 1 A 64 64 GLY HA2 H 64 3.950 4.089 -0.139 1
1 752 . 10 1 1 A 64 64 GLY HA3 H 64 3.950 4.089 -0.139 1
1 753 . 10 1 1 A 64 64 GLY C C 64 174.300 175.287 -0.987 1
1 754 . 10 1 1 A 64 64 GLY CA C 64 45.300 45.241 0.059 1
1 755 . 10 1 1 A 64 64 GLY N N 64 108.700 112.455 -3.755 1
1 756 . 10 1 1 A 65 65 LEU H H 65 8.020 7.652 0.368 1
1 757 . 10 1 1 A 65 65 LEU HA H 65 4.460 4.099 0.361 1
1 767 . 10 1 1 A 65 65 LEU C C 65 178.000 177.263 0.737 1
1 768 . 10 1 1 A 65 65 LEU CA C 65 55.200 57.671 -2.471 1
1 769 . 10 1 1 A 65 65 LEU CB C 65 42.700 42.173 0.527 1
1 773 . 10 1 1 A 65 65 LEU N N 65 121.300 119.845 1.455 1
1 774 . 10 1 1 A 66 66 THR H H 66 8.470 7.955 0.515 1
1 775 . 10 1 1 A 66 66 THR HA H 66 4.440 4.423 0.017 1
1 780 . 10 1 1 A 66 66 THR C C 66 175.200 174.553 0.647 1
1 781 . 10 1 1 A 66 66 THR CA C 66 61.600 61.704 -0.104 1
1 782 . 10 1 1 A 66 66 THR CB C 66 70.200 67.871 2.329 1
1 784 . 10 1 1 A 66 66 THR N N 66 114.300 113.160 1.140 1
1 785 . 10 1 1 A 67 67 THR H H 67 8.370 8.835 -0.465 1
1 786 . 10 1 1 A 67 67 THR HA H 67 4.110 4.551 -0.441 1
1 791 . 10 1 1 A 67 67 THR C C 67 175.300 174.313 0.987 1
1 792 . 10 1 1 A 67 67 THR CA C 67 63.900 61.618 2.282 1
1 793 . 10 1 1 A 67 67 THR CB C 67 69.100 68.915 0.185 1
1 795 . 10 1 1 A 67 67 THR N N 67 116.600 122.154 -5.554 1
1 796 . 10 1 1 A 68 68 ALA H H 68 8.340 7.426 0.914 1
1 797 . 10 1 1 A 68 68 ALA HA H 68 4.220 4.216 0.004 1
1 801 . 10 1 1 A 68 68 ALA C C 68 179.100 176.879 2.221 1
1 802 . 10 1 1 A 68 68 ALA CA C 68 53.800 53.077 0.723 1
1 803 . 10 1 1 A 68 68 ALA CB C 68 18.700 19.259 -0.559 1
1 804 . 10 1 1 A 68 68 ALA N N 68 124.500 124.733 -0.233 1
1 805 . 10 1 1 A 69 69 GLU H H 69 8.090 8.828 -0.738 1
1 806 . 10 1 1 A 69 69 GLU HA H 69 4.140 4.504 -0.364 1
1 811 . 10 1 1 A 69 69 GLU C C 69 177.800 175.887 1.913 1
1 812 . 10 1 1 A 69 69 GLU CA C 69 57.700 56.158 1.542 1
1 813 . 10 1 1 A 69 69 GLU CB C 69 30.100 30.946 -0.846 1
1 815 . 10 1 1 A 69 69 GLU N N 69 119.000 122.326 -3.326 1
1 816 . 10 1 1 A 70 70 ARG H H 70 8.300 8.686 -0.386 1
1 817 . 10 1 1 A 70 70 ARG HA H 70 4.140 4.935 -0.795 1
1 824 . 10 1 1 A 70 70 ARG C C 70 177.400 176.798 0.602 1
1 825 . 10 1 1 A 70 70 ARG CA C 70 57.500 55.225 2.275 1
1 826 . 10 1 1 A 70 70 ARG CB C 70 30.300 32.454 -2.154 1
1 829 . 10 1 1 A 70 70 ARG N N 70 120.400 127.750 -7.350 1
1 830 . 10 1 1 A 71 71 GLN H H 71 8.200 8.245 -0.045 1
1 831 . 10 1 1 A 71 71 GLN HA H 71 4.200 4.136 0.064 1
1 838 . 10 1 1 A 71 71 GLN C C 71 176.600 177.906 -1.306 1
1 839 . 10 1 1 A 71 71 GLN CA C 71 56.800 58.397 -1.597 1
1 840 . 10 1 1 A 71 71 GLN CB C 71 28.900 29.011 -0.111 1
1 842 . 10 1 1 A 71 71 GLN N N 71 119.500 119.337 0.163 1
1 844 . 10 1 1 A 72 72 ARG H H 72 7.990 8.044 -0.054 1
1 845 . 10 1 1 A 72 72 ARG HA H 72 4.240 4.244 -0.004 1
1 847 . 10 1 1 A 72 72 ARG C C 72 176.600 175.856 0.744 1
1 848 . 10 1 1 A 72 72 ARG CA C 72 56.900 58.020 -1.120 1
1 849 . 10 1 1 A 72 72 ARG CB C 72 30.500 30.543 -0.043 1
1 852 . 10 1 1 A 72 72 ARG N N 72 120.600 117.174 3.426 1
1 853 . 10 1 1 A 73 73 LEU H H 73 7.980 7.372 0.608 1
1 854 . 10 1 1 A 73 73 LEU HA H 73 4.280 4.434 -0.154 1
1 864 . 10 1 1 A 73 73 LEU C C 73 177.100 174.862 2.238 1
1 865 . 10 1 1 A 73 73 LEU CA C 73 55.300 53.843 1.457 1
1 866 . 10 1 1 A 73 73 LEU CB C 73 42.200 41.487 0.713 1
1 870 . 10 1 1 A 73 73 LEU N N 73 121.400 121.625 -0.225 1
1 871 . 10 1 1 A 74 74 LYS H H 74 8.050 8.241 -0.191 1
1 872 . 10 1 1 A 74 74 LYS HA H 74 4.300 5.032 -0.732 1
1 881 . 10 1 1 A 74 74 LYS C C 74 176.100 175.037 1.063 1
1 882 . 10 1 1 A 74 74 LYS CA C 74 56.000 54.522 1.478 1
1 883 . 10 1 1 A 74 74 LYS CB C 74 33.000 36.050 -3.050 1
1 887 . 10 1 1 A 74 74 LYS N N 74 121.000 122.286 -1.286 1
1 888 . 10 1 1 A 75 75 GLU H H 75 8.360 8.785 -0.425 1
1 889 . 10 1 1 A 75 75 GLU HA H 75 4.550 4.969 -0.419 1
1 894 . 10 1 1 A 75 75 GLU CA C 75 54.400 53.648 0.752 1
1 895 . 10 1 1 A 75 75 GLU CB C 75 29.600 31.257 -1.657 1
1 897 . 10 1 1 A 75 75 GLU N N 75 123.800 118.708 5.092 1
1 898 . 10 1 1 A 76 76 PRO HA H 76 4.410 4.408 0.002 1
1 905 . 10 1 1 A 76 76 PRO C C 76 177.000 177.230 -0.230 1
1 906 . 10 1 1 A 76 76 PRO CA C 76 63.300 65.000 -1.700 1
1 907 . 10 1 1 A 76 76 PRO CB C 76 32.000 31.917 0.083 1
1 910 . 10 1 1 A 77 77 GLU H H 77 8.580 8.440 0.140 1
1 911 . 10 1 1 A 77 77 GLU HA H 77 4.220 4.457 -0.237 1
1 916 . 10 1 1 A 77 77 GLU C C 77 176.700 176.198 0.502 1
1 917 . 10 1 1 A 77 77 GLU CA C 77 56.800 56.032 0.768 1
1 918 . 10 1 1 A 77 77 GLU CB C 77 29.900 30.091 -0.191 1
1 920 . 10 1 1 A 77 77 GLU N N 77 120.800 115.377 5.423 1
1 921 . 10 1 1 A 78 78 ARG H H 78 8.330 8.519 -0.189 1
1 922 . 10 1 1 A 78 78 ARG HA H 78 4.270 5.116 -0.846 1
1 925 . 10 1 1 A 78 78 ARG C C 78 176.500 175.384 1.116 1
1 926 . 10 1 1 A 78 78 ARG CA C 78 56.700 53.927 2.773 1
1 927 . 10 1 1 A 78 78 ARG CB C 78 30.600 34.212 -3.612 1
1 930 . 10 1 1 A 78 78 ARG N N 78 122.000 123.369 -1.369 1
1 931 . 10 1 1 A 79 79 GLU H H 79 8.020 8.880 -0.860 1
1 932 . 10 1 1 A 79 79 GLU HA H 79 4.230 4.480 -0.250 1
1 937 . 10 1 1 A 79 79 GLU C C 79 176.100 176.843 -0.743 1
1 938 . 10 1 1 A 79 79 GLU CA C 79 56.500 56.023 0.477 1
1 939 . 10 1 1 A 79 79 GLU CB C 79 30.200 30.711 -0.511 1
1 941 . 10 1 1 A 79 79 GLU N N 79 121.900 117.870 4.030 1
1 942 . 10 1 1 A 80 80 ASN H H 80 8.510 8.080 0.430 1
1 943 . 10 1 1 A 80 80 ASN HA H 80 4.690 4.657 0.033 1
1 948 . 10 1 1 A 80 80 ASN C C 80 175.400 173.774 1.626 1
1 949 . 10 1 1 A 80 80 ASN CA C 80 53.300 55.301 -2.001 1
1 950 . 10 1 1 A 80 80 ASN CB C 80 38.500 37.133 1.367 1
1 951 . 10 1 1 A 80 80 ASN N N 80 120.000 117.200 2.800 1
1 953 . 10 1 1 A 81 81 ARG H H 81 8.400 8.409 -0.009 1
1 954 . 10 1 1 A 81 81 ARG HA H 81 4.250 4.699 -0.449 1
1 961 . 10 1 1 A 81 81 ARG C C 81 175.600 174.551 1.049 1
1 962 . 10 1 1 A 81 81 ARG CA C 81 56.500 55.620 0.880 1
1 963 . 10 1 1 A 81 81 ARG CB C 81 30.800 31.007 -0.207 1
1 966 . 10 1 1 A 81 81 ARG N N 81 121.900 121.763 0.137 1
1 967 . 10 1 1 A 82 82 GLU H H 82 8.410 8.828 -0.418 1
1 968 . 10 1 1 A 82 82 GLU HA H 82 4.240 4.593 -0.353 1
1 973 . 10 1 1 A 82 82 GLU C C 82 176.400 175.512 0.888 1
1 974 . 10 1 1 A 82 82 GLU CA C 82 56.700 55.585 1.115 1
1 975 . 10 1 1 A 82 82 GLU CB C 82 29.900 29.739 0.161 1
1 977 . 10 1 1 A 82 82 GLU N N 82 120.900 125.539 -4.639 1
1 978 . 10 1 1 A 83 83 LEU H H 83 8.120 8.499 -0.379 1
1 979 . 10 1 1 A 83 83 LEU HA H 83 4.310 4.464 -0.154 1
1 988 . 10 1 1 A 83 83 LEU C C 83 177.100 176.958 0.142 1
1 989 . 10 1 1 A 83 83 LEU CA C 83 55.200 52.693 2.507 1
1 990 . 10 1 1 A 83 83 LEU CB C 83 42.100 44.031 -1.931 1
1 994 . 10 1 1 A 83 83 LEU N N 83 122.800 129.232 -6.432 1
1 995 . 10 1 1 A 84 84 ARG H H 84 8.260 8.481 -0.221 1
1 996 . 10 1 1 A 84 84 ARG HA H 84 4.340 4.277 0.063 1
1 999 . 10 1 1 A 84 84 ARG C C 84 176.000 177.157 -1.157 1
1 1000 . 10 1 1 A 84 84 ARG CA C 84 55.900 58.194 -2.294 1
1 1001 . 10 1 1 A 84 84 ARG CB C 84 30.600 29.749 0.851 1
1 1004 . 10 1 1 A 84 84 ARG N N 84 121.800 121.505 0.295 1
1 1005 . 10 1 1 A 85 85 ARG H H 85 8.390 7.749 0.641 1
1 1006 . 10 1 1 A 85 85 ARG HA H 85 4.390 4.215 0.175 1
1 1009 . 10 1 1 A 85 85 ARG C C 85 176.100 176.610 -0.510 1
1 1010 . 10 1 1 A 85 85 ARG CA C 85 56.000 58.657 -2.657 1
1 1011 . 10 1 1 A 85 85 ARG CB C 85 31.000 30.491 0.509 1
1 1014 . 10 1 1 A 85 85 ARG N N 85 122.800 118.677 4.123 1
1 1015 . 10 1 1 A 86 86 SER H H 86 8.430 7.956 0.474 1
1 1016 . 10 1 1 A 86 86 SER HA H 86 4.470 4.442 0.028 1
1 1019 . 10 1 1 A 86 86 SER C C 86 173.300 174.148 -0.848 1
1 1020 . 10 1 1 A 86 86 SER CA C 86 58.200 58.674 -0.474 1
1 1021 . 10 1 1 A 86 86 SER CB C 86 64.000 62.765 1.235 1
1 1022 . 10 1 1 A 86 86 SER N N 86 117.500 113.786 3.714 1
1 1023 . 10 1 1 A 87 87 ASN H H 87 8.120 8.675 -0.555 1
1 1024 . 10 1 1 A 87 87 ASN HA H 87 4.470 5.113 -0.643 1
1 1029 . 10 1 1 A 87 87 ASN CA C 87 54.800 52.427 2.373 1
1 1030 . 10 1 1 A 87 87 ASN CB C 87 40.100 39.563 0.537 1
1 1031 . 10 1 1 A 87 87 ASN N N 87 125.900 120.907 4.993 1
1 1033 . 10 1 1 A 88 88 ASP HA H 88 4.640 4.779 -0.139 1
1 1036 . 10 1 1 A 88 88 ASP C C 88 175.700 176.157 -0.457 1
1 1037 . 10 1 1 A 88 88 ASP CA C 88 54.500 53.305 1.195 1
1 1038 . 10 1 1 A 88 88 ASP CB C 88 41.100 41.005 0.095 1
1 1039 . 10 1 1 A 89 89 ILE H H 89 8.000 7.374 0.626 1
1 1040 . 10 1 1 A 89 89 ILE HA H 89 4.160 4.105 0.055 1
1 1050 . 10 1 1 A 89 89 ILE C C 89 175.200 174.848 0.352 1
1 1051 . 10 1 1 A 89 89 ILE CA C 89 61.100 60.830 0.270 1
1 1052 . 10 1 1 A 89 89 ILE CB C 89 38.500 36.559 1.941 1
1 1056 . 10 1 1 A 89 89 ILE N N 89 120.400 122.229 -1.829 1
1 1057 . 10 1 1 A 90 90 LEU H H 90 7.880 8.287 -0.407 1
1 1058 . 10 1 1 A 90 90 LEU HA H 90 4.190 4.896 -0.706 1
1 1067 . 10 1 1 A 90 90 LEU CA C 90 56.700 53.194 3.506 1
1 1068 . 10 1 1 A 90 90 LEU CB C 90 43.300 43.647 -0.347 1
1 1072 . 10 1 1 A 90 90 LEU N N 90 131.900 128.882 3.018 1
1 1073 . 10 1 1 A 93 93 ALA HA H 93 4.370 4.646 -0.276 1
1 1077 . 10 1 1 A 93 93 ALA C C 93 176.600 176.779 -0.179 1
1 1078 . 10 1 1 A 93 93 ALA CA C 93 52.300 50.323 1.977 1
1 1079 . 10 1 1 A 93 93 ALA CB C 93 19.200 20.798 -1.598 1
1 1080 . 10 1 1 A 94 94 SER H H 94 7.910 8.537 -0.627 1
1 1081 . 10 1 1 A 94 94 SER HA H 94 4.250 4.057 0.193 1
1 1084 . 10 1 1 A 94 94 SER CA C 94 59.900 58.815 1.085 1
1 1085 . 10 1 1 A 94 94 SER CB C 94 64.700 61.909 2.791 1
1 1 . 11 1 1 A 2 2 THR HA H 2 4.360 4.272 0.088 1
1 6 . 11 1 1 A 2 2 THR C C 2 174.300 173.891 0.409 1
1 7 . 11 1 1 A 2 2 THR CA C 2 61.900 63.719 -1.819 1
1 8 . 11 1 1 A 2 2 THR CB C 2 69.900 68.285 1.615 1
1 10 . 11 1 1 A 3 3 LYS H H 3 8.520 8.826 -0.306 1
1 11 . 11 1 1 A 3 3 LYS HA H 3 4.320 3.923 0.397 1
1 20 . 11 1 1 A 3 3 LYS C C 3 176.100 175.499 0.601 1
1 21 . 11 1 1 A 3 3 LYS CA C 3 56.400 57.052 -0.652 1
1 22 . 11 1 1 A 3 3 LYS CB C 3 33.000 30.913 2.087 1
1 26 . 11 1 1 A 3 3 LYS N N 3 124.100 123.388 0.712 1
1 27 . 11 1 1 A 4 4 ASN H H 4 8.560 8.398 0.162 1
1 28 . 11 1 1 A 4 4 ASN HA H 4 4.760 4.916 -0.156 1
1 33 . 11 1 1 A 4 4 ASN C C 4 175.200 175.708 -0.508 1
1 34 . 11 1 1 A 4 4 ASN CA C 4 53.300 52.535 0.765 1
1 35 . 11 1 1 A 4 4 ASN CB C 4 38.900 37.221 1.679 1
1 36 . 11 1 1 A 4 4 ASN N N 4 120.200 117.752 2.448 1
1 38 . 11 1 1 A 5 5 THR H H 5 8.130 8.843 -0.713 1
1 39 . 11 1 1 A 5 5 THR HA H 5 4.310 4.242 0.068 1
1 44 . 11 1 1 A 5 5 THR C C 5 173.900 174.397 -0.497 1
1 45 . 11 1 1 A 5 5 THR CA C 5 61.800 64.478 -2.678 1
1 46 . 11 1 1 A 5 5 THR CB C 5 69.500 68.366 1.134 1
1 48 . 11 1 1 A 5 5 THR N N 5 114.900 119.244 -4.344 1
1 49 . 11 1 1 A 6 6 ARG H H 6 8.160 7.862 0.298 1
1 50 . 11 1 1 A 6 6 ARG HA H 6 4.300 4.390 -0.090 1
1 57 . 11 1 1 A 6 6 ARG C C 6 176.300 175.533 0.767 1
1 58 . 11 1 1 A 6 6 ARG CA C 6 56.300 56.090 0.210 1
1 59 . 11 1 1 A 6 6 ARG CB C 6 30.700 32.361 -1.661 1
1 62 . 11 1 1 A 6 6 ARG N N 6 123.600 121.677 1.923 1
1 63 . 11 1 1 A 7 7 PHE H H 7 8.460 7.697 0.763 1
1 64 . 11 1 1 A 7 7 PHE HA H 7 4.760 4.612 0.148 1
1 72 . 11 1 1 A 7 7 PHE C C 7 175.000 175.335 -0.335 1
1 73 . 11 1 1 A 7 7 PHE CA C 7 56.700 57.605 -0.905 1
1 74 . 11 1 1 A 7 7 PHE CB C 7 40.300 39.621 0.679 1
1 80 . 11 1 1 A 7 7 PHE N N 7 121.500 120.950 0.550 1
1 81 . 11 1 1 A 8 8 SER H H 8 8.520 8.505 0.015 1
1 82 . 11 1 1 A 8 8 SER HA H 8 4.600 4.887 -0.287 1
1 85 . 11 1 1 A 8 8 SER CA C 8 56.700 54.635 2.065 1
1 86 . 11 1 1 A 8 8 SER CB C 8 62.600 63.348 -0.748 1
1 87 . 11 1 1 A 8 8 SER N N 8 121.500 119.108 2.392 1
1 88 . 11 1 1 A 9 9 PRO HA H 9 3.920 4.238 -0.318 1
1 95 . 11 1 1 A 9 9 PRO C C 9 178.500 177.690 0.810 1
1 96 . 11 1 1 A 9 9 PRO CA C 9 65.800 65.072 0.728 1
1 97 . 11 1 1 A 9 9 PRO CB C 9 31.500 31.982 -0.482 1
1 100 . 11 1 1 A 10 10 GLU H H 10 8.610 7.886 0.724 1
1 101 . 11 1 1 A 10 10 GLU HA H 10 3.990 4.036 -0.046 1
1 106 . 11 1 1 A 10 10 GLU C C 10 179.100 179.119 -0.019 1
1 107 . 11 1 1 A 10 10 GLU CA C 10 60.000 59.644 0.356 1
1 108 . 11 1 1 A 10 10 GLU CB C 10 28.800 29.556 -0.756 1
1 110 . 11 1 1 A 10 10 GLU N N 10 116.600 118.097 -1.497 1
1 111 . 11 1 1 A 11 11 VAL H H 11 7.510 7.912 -0.402 1
1 112 . 11 1 1 A 11 11 VAL HA H 11 3.610 3.511 0.099 1
1 120 . 11 1 1 A 11 11 VAL C C 11 177.700 177.611 0.089 1
1 121 . 11 1 1 A 11 11 VAL CA C 11 66.400 66.786 -0.386 1
1 122 . 11 1 1 A 11 11 VAL CB C 11 31.600 31.493 0.107 1
1 125 . 11 1 1 A 11 11 VAL N N 11 122.700 119.383 3.317 1
1 126 . 11 1 1 A 12 12 ARG H H 12 7.800 7.579 0.221 1
1 127 . 11 1 1 A 12 12 ARG HA H 12 3.440 3.358 0.082 1
1 135 . 11 1 1 A 12 12 ARG C C 12 178.000 178.837 -0.837 1
1 136 . 11 1 1 A 12 12 ARG CA C 12 59.300 59.698 -0.398 1
1 137 . 11 1 1 A 12 12 ARG CB C 12 29.600 29.879 -0.279 1
1 140 . 11 1 1 A 12 12 ARG N N 12 118.700 119.467 -0.767 1
1 142 . 11 1 1 A 13 13 GLN H H 13 8.050 7.784 0.266 1
1 143 . 11 1 1 A 13 13 GLN HA H 13 3.860 3.905 -0.045 1
1 150 . 11 1 1 A 13 13 GLN C C 13 178.800 178.309 0.491 1
1 151 . 11 1 1 A 13 13 GLN CA C 13 58.600 58.878 -0.278 1
1 152 . 11 1 1 A 13 13 GLN CB C 13 28.300 28.224 0.076 1
1 154 . 11 1 1 A 13 13 GLN N N 13 116.100 118.669 -2.569 1
1 156 . 11 1 1 A 14 14 ARG H H 14 7.750 8.331 -0.581 1
1 157 . 11 1 1 A 14 14 ARG HA H 14 3.970 3.953 0.017 1
1 164 . 11 1 1 A 14 14 ARG C C 14 177.900 178.105 -0.205 1
1 165 . 11 1 1 A 14 14 ARG CA C 14 59.100 59.305 -0.205 1
1 166 . 11 1 1 A 14 14 ARG CB C 14 30.000 30.111 -0.111 1
1 169 . 11 1 1 A 14 14 ARG N N 14 120.400 120.478 -0.078 1
1 170 . 11 1 1 A 15 15 ALA H H 15 8.500 7.957 0.543 1
1 171 . 11 1 1 A 15 15 ALA HA H 15 4.040 4.128 -0.088 1
1 175 . 11 1 1 A 15 15 ALA C C 15 178.800 179.944 -1.144 1
1 176 . 11 1 1 A 15 15 ALA CA C 15 55.300 55.072 0.228 1
1 177 . 11 1 1 A 15 15 ALA CB C 15 19.700 18.707 0.993 1
1 178 . 11 1 1 A 15 15 ALA N N 15 122.200 121.942 0.258 1
1 179 . 11 1 1 A 16 16 VAL H H 16 8.230 7.727 0.503 1
1 180 . 11 1 1 A 16 16 VAL HA H 16 3.360 3.335 0.025 1
1 188 . 11 1 1 A 16 16 VAL C C 16 177.700 177.799 -0.099 1
1 189 . 11 1 1 A 16 16 VAL CA C 16 67.100 67.117 -0.017 1
1 190 . 11 1 1 A 16 16 VAL CB C 16 31.600 31.243 0.357 1
1 193 . 11 1 1 A 16 16 VAL N N 16 116.500 118.042 -1.542 1
1 194 . 11 1 1 A 17 17 ARG H H 17 7.900 8.392 -0.492 1
1 195 . 11 1 1 A 17 17 ARG HA H 17 3.830 3.857 -0.027 1
1 202 . 11 1 1 A 17 17 ARG C C 17 178.000 178.284 -0.284 1
1 203 . 11 1 1 A 17 17 ARG CA C 17 59.700 59.724 -0.024 1
1 204 . 11 1 1 A 17 17 ARG CB C 17 29.200 29.958 -0.758 1
1 207 . 11 1 1 A 17 17 ARG N N 17 119.000 119.941 -0.941 1
1 208 . 11 1 1 A 18 18 MET H H 18 8.210 8.208 0.002 1
1 209 . 11 1 1 A 18 18 MET HA H 18 4.090 4.156 -0.066 1
1 217 . 11 1 1 A 18 18 MET C C 18 179.400 178.129 1.271 1
1 218 . 11 1 1 A 18 18 MET CA C 18 59.500 58.829 0.671 1
1 219 . 11 1 1 A 18 18 MET CB C 18 33.600 32.678 0.922 1
1 222 . 11 1 1 A 18 18 MET N N 18 117.300 119.171 -1.871 1
1 223 . 11 1 1 A 19 19 VAL H H 19 7.790 7.982 -0.192 1
1 224 . 11 1 1 A 19 19 VAL HA H 19 3.390 3.579 -0.189 1
1 232 . 11 1 1 A 19 19 VAL C C 19 177.200 177.978 -0.778 1
1 233 . 11 1 1 A 19 19 VAL CA C 19 66.100 66.502 -0.402 1
1 234 . 11 1 1 A 19 19 VAL CB C 19 31.600 31.719 -0.119 1
1 237 . 11 1 1 A 19 19 VAL N N 19 119.900 119.398 0.502 1
1 238 . 11 1 1 A 20 20 LEU H H 20 8.280 8.590 -0.310 1
1 239 . 11 1 1 A 20 20 LEU HA H 20 4.070 3.912 0.158 1
1 249 . 11 1 1 A 20 20 LEU C C 20 180.600 179.627 0.973 1
1 250 . 11 1 1 A 20 20 LEU CA C 20 57.900 58.142 -0.242 1
1 251 . 11 1 1 A 20 20 LEU CB C 20 40.800 40.928 -0.128 1
1 255 . 11 1 1 A 20 20 LEU N N 20 118.400 118.299 0.101 1
1 256 . 11 1 1 A 21 21 GLU H H 21 8.690 8.355 0.335 1
1 257 . 11 1 1 A 21 21 GLU HA H 21 4.230 4.023 0.207 1
1 262 . 11 1 1 A 21 21 GLU C C 21 178.200 179.031 -0.831 1
1 263 . 11 1 1 A 21 21 GLU CA C 21 57.900 59.743 -1.843 1
1 264 . 11 1 1 A 21 21 GLU CB C 21 29.700 29.098 0.602 1
1 266 . 11 1 1 A 21 21 GLU N N 21 115.900 119.723 -3.823 1
1 267 . 11 1 1 A 22 22 SER H H 22 7.580 8.100 -0.520 1
1 268 . 11 1 1 A 22 22 SER HA H 22 4.790 4.478 0.312 1
1 271 . 11 1 1 A 22 22 SER C C 22 175.200 176.051 -0.851 1
1 272 . 11 1 1 A 22 22 SER CA C 22 59.500 61.491 -1.991 1
1 273 . 11 1 1 A 22 22 SER CB C 22 64.500 63.118 1.382 1
1 274 . 11 1 1 A 22 22 SER N N 22 113.000 116.968 -3.968 1
1 275 . 11 1 1 A 23 23 GLN H H 23 7.780 8.404 -0.624 1
1 276 . 11 1 1 A 23 23 GLN HA H 23 4.800 4.096 0.704 1
1 283 . 11 1 1 A 23 23 GLN C C 23 177.100 178.318 -1.218 1
1 284 . 11 1 1 A 23 23 GLN CA C 23 57.800 59.459 -1.659 1
1 285 . 11 1 1 A 23 23 GLN CB C 23 28.100 28.323 -0.223 1
1 287 . 11 1 1 A 23 23 GLN N N 23 119.900 121.585 -1.685 1
1 289 . 11 1 1 A 24 24 GLY H H 24 8.680 7.830 0.850 1
1 290 . 11 1 1 A 24 24 GLY HA2 H 24 3.860 3.758 0.102 1
1 291 . 11 1 1 A 24 24 GLY HA3 H 24 4.110 3.767 0.343 1
1 292 . 11 1 1 A 24 24 GLY C C 24 175.100 176.429 -1.329 1
1 293 . 11 1 1 A 24 24 GLY CA C 24 45.900 47.053 -1.153 1
1 294 . 11 1 1 A 24 24 GLY N N 24 108.500 106.937 1.563 1
1 295 . 11 1 1 A 25 25 GLU H H 25 8.110 7.576 0.534 1
1 296 . 11 1 1 A 25 25 GLU HA H 25 4.210 4.073 0.137 1
1 301 . 11 1 1 A 25 25 GLU C C 25 175.400 176.653 -1.253 1
1 302 . 11 1 1 A 25 25 GLU CA C 25 56.100 59.135 -3.035 1
1 303 . 11 1 1 A 25 25 GLU CB C 25 29.700 29.390 0.310 1
1 305 . 11 1 1 A 25 25 GLU N N 25 118.200 120.732 -2.532 1
1 306 . 11 1 1 A 26 26 TYR H H 26 7.690 7.756 -0.066 1
1 307 . 11 1 1 A 26 26 TYR HA H 26 4.690 4.864 -0.174 1
1 314 . 11 1 1 A 26 26 TYR C C 26 175.800 175.171 0.629 1
1 315 . 11 1 1 A 26 26 TYR CA C 26 57.000 57.625 -0.625 1
1 316 . 11 1 1 A 26 26 TYR CB C 26 42.200 39.920 2.280 1
1 321 . 11 1 1 A 26 26 TYR N N 26 117.700 117.322 0.378 1
1 322 . 11 1 1 A 27 27 ASP H H 27 8.850 8.763 0.087 1
1 323 . 11 1 1 A 27 27 ASP HA H 27 4.520 5.115 -0.595 1
1 326 . 11 1 1 A 27 27 ASP C C 27 175.900 175.492 0.408 1
1 327 . 11 1 1 A 27 27 ASP CA C 27 55.400 53.448 1.952 1
1 328 . 11 1 1 A 27 27 ASP CB C 27 41.200 42.041 -0.841 1
1 329 . 11 1 1 A 27 27 ASP N N 27 117.500 118.595 -1.095 1
1 330 . 11 1 1 A 28 28 SER H H 28 7.550 7.878 -0.328 1
1 331 . 11 1 1 A 28 28 SER HA H 28 4.740 5.087 -0.347 1
1 334 . 11 1 1 A 28 28 SER CA C 28 57.200 56.481 0.719 1
1 335 . 11 1 1 A 28 28 SER CB C 28 65.800 65.687 0.113 1
1 336 . 11 1 1 A 28 28 SER N N 28 109.000 114.496 -5.496 1
1 337 . 11 1 1 A 29 29 GLN HA H 29 3.950 3.794 0.156 1
1 344 . 11 1 1 A 29 29 GLN C C 29 178.100 177.915 0.185 1
1 345 . 11 1 1 A 29 29 GLN CA C 29 60.200 59.015 1.185 1
1 346 . 11 1 1 A 29 29 GLN CB C 29 29.900 28.007 1.893 1
1 349 . 11 1 1 A 30 30 TRP H H 30 9.010 8.090 0.920 1
1 350 . 11 1 1 A 30 30 TRP HA H 30 4.720 4.474 0.246 1
1 359 . 11 1 1 A 30 30 TRP C C 30 177.100 178.895 -1.795 1
1 360 . 11 1 1 A 30 30 TRP CA C 30 59.300 60.021 -0.721 1
1 361 . 11 1 1 A 30 30 TRP CB C 30 30.000 28.948 1.052 1
1 367 . 11 1 1 A 30 30 TRP N N 30 121.400 120.773 0.627 1
1 369 . 11 1 1 A 31 31 ALA H H 31 8.360 7.995 0.365 1
1 370 . 11 1 1 A 31 31 ALA HA H 31 3.790 3.973 -0.183 1
1 374 . 11 1 1 A 31 31 ALA C C 31 180.300 179.879 0.421 1
1 375 . 11 1 1 A 31 31 ALA CA C 31 55.300 55.137 0.163 1
1 376 . 11 1 1 A 31 31 ALA CB C 31 18.200 17.833 0.367 1
1 377 . 11 1 1 A 31 31 ALA N N 31 121.600 122.218 -0.618 1
1 378 . 11 1 1 A 32 32 THR H H 32 7.420 7.383 0.037 1
1 379 . 11 1 1 A 32 32 THR HA H 32 2.620 3.711 -1.091 1
1 384 . 11 1 1 A 32 32 THR C C 32 176.700 176.222 0.478 1
1 385 . 11 1 1 A 32 32 THR CA C 32 66.200 66.976 -0.776 1
1 386 . 11 1 1 A 32 32 THR CB C 32 67.800 67.945 -0.145 1
1 388 . 11 1 1 A 32 32 THR N N 32 115.700 114.641 1.059 1
1 389 . 11 1 1 A 33 33 ILE H H 33 8.490 8.419 0.071 1
1 390 . 11 1 1 A 33 33 ILE HA H 33 3.180 3.651 -0.471 1
1 400 . 11 1 1 A 33 33 ILE C C 33 177.300 177.994 -0.694 1
1 401 . 11 1 1 A 33 33 ILE CA C 33 65.900 65.199 0.701 1
1 402 . 11 1 1 A 33 33 ILE CB C 33 37.700 37.517 0.183 1
1 406 . 11 1 1 A 33 33 ILE N N 33 124.100 120.880 3.220 1
1 407 . 11 1 1 A 34 34 CYS H H 34 8.060 7.915 0.145 1
1 408 . 11 1 1 A 34 34 CYS HA H 34 3.610 4.194 -0.584 1
1 411 . 11 1 1 A 34 34 CYS C C 34 175.800 176.314 -0.514 1
1 412 . 11 1 1 A 34 34 CYS CA C 34 63.800 62.235 1.565 1
1 413 . 11 1 1 A 34 34 CYS CB C 34 26.400 27.415 -1.015 1
1 414 . 11 1 1 A 34 34 CYS N N 34 115.900 119.226 -3.326 1
1 415 . 11 1 1 A 35 35 SER H H 35 7.150 7.791 -0.641 1
1 416 . 11 1 1 A 35 35 SER HA H 35 4.260 4.354 -0.094 1
1 419 . 11 1 1 A 35 35 SER C C 35 175.500 175.883 -0.383 1
1 420 . 11 1 1 A 35 35 SER CA C 35 60.200 60.626 -0.426 1
1 421 . 11 1 1 A 35 35 SER CB C 35 63.600 63.070 0.530 1
1 422 . 11 1 1 A 35 35 SER N N 35 113.600 115.767 -2.167 1
1 423 . 11 1 1 A 36 36 ILE H H 36 7.650 7.445 0.205 1
1 424 . 11 1 1 A 36 36 ILE HA H 36 3.850 4.028 -0.178 1
1 434 . 11 1 1 A 36 36 ILE C C 36 176.900 177.215 -0.315 1
1 435 . 11 1 1 A 36 36 ILE CA C 36 61.700 62.857 -1.157 1
1 436 . 11 1 1 A 36 36 ILE CB C 36 37.700 38.159 -0.459 1
1 440 . 11 1 1 A 36 36 ILE N N 36 120.700 119.676 1.024 1
1 441 . 11 1 1 A 37 37 ALA H H 37 8.200 7.704 0.496 1
1 442 . 11 1 1 A 37 37 ALA HA H 37 3.860 4.032 -0.172 1
1 446 . 11 1 1 A 37 37 ALA CA C 37 57.400 57.171 0.229 1
1 447 . 11 1 1 A 37 37 ALA CB C 37 14.900 17.282 -2.382 1
1 448 . 11 1 1 A 37 37 ALA N N 37 122.200 124.630 -2.430 1
1 449 . 11 1 1 A 38 38 PRO HA H 38 4.470 4.411 0.059 1
1 456 . 11 1 1 A 38 38 PRO C C 38 178.800 178.734 0.066 1
1 457 . 11 1 1 A 38 38 PRO CA C 38 65.600 64.695 0.905 1
1 458 . 11 1 1 A 38 38 PRO CB C 38 31.000 31.440 -0.440 1
1 461 . 11 1 1 A 39 39 LYS H H 39 7.680 8.015 -0.335 1
1 462 . 11 1 1 A 39 39 LYS HA H 39 4.150 4.098 0.052 1
1 471 . 11 1 1 A 39 39 LYS C C 39 177.800 179.048 -1.248 1
1 472 . 11 1 1 A 39 39 LYS CA C 39 58.000 59.346 -1.346 1
1 473 . 11 1 1 A 39 39 LYS CB C 39 31.800 32.348 -0.548 1
1 477 . 11 1 1 A 39 39 LYS N N 39 115.500 118.162 -2.662 1
1 478 . 11 1 1 A 40 40 ILE H H 40 7.540 7.932 -0.392 1
1 479 . 11 1 1 A 40 40 ILE HA H 40 4.130 4.061 0.069 1
1 489 . 11 1 1 A 40 40 ILE C C 40 176.500 176.346 0.154 1
1 490 . 11 1 1 A 40 40 ILE CA C 40 59.600 63.107 -3.507 1
1 491 . 11 1 1 A 40 40 ILE CB C 40 37.300 38.697 -1.397 1
1 495 . 11 1 1 A 40 40 ILE N N 40 117.500 117.475 0.025 1
1 496 . 11 1 1 A 41 41 GLY H H 41 8.430 8.216 0.214 1
1 497 . 11 1 1 A 41 41 GLY HA2 H 41 4.550 4.072 0.478 1
1 498 . 11 1 1 A 41 41 GLY HA3 H 41 3.790 4.093 -0.303 1
1 499 . 11 1 1 A 41 41 GLY C C 41 173.900 173.691 0.209 1
1 500 . 11 1 1 A 41 41 GLY CA C 41 44.900 45.841 -0.941 1
1 501 . 11 1 1 A 41 41 GLY N N 41 105.100 108.174 -3.074 1
1 502 . 11 1 1 A 42 42 CYS H H 42 7.360 7.814 -0.454 1
1 503 . 11 1 1 A 42 42 CYS HA H 42 5.220 5.010 0.210 1
1 506 . 11 1 1 A 42 42 CYS C C 42 173.100 172.828 0.272 1
1 507 . 11 1 1 A 42 42 CYS CA C 42 53.300 57.535 -4.235 1
1 508 . 11 1 1 A 42 42 CYS CB C 42 31.700 30.043 1.657 1
1 509 . 11 1 1 A 42 42 CYS N N 42 115.400 115.532 -0.132 1
1 510 . 11 1 1 A 43 43 THR H H 43 8.550 8.433 0.117 1
1 511 . 11 1 1 A 43 43 THR HA H 43 4.560 4.903 -0.343 1
1 516 . 11 1 1 A 43 43 THR CA C 43 59.800 59.493 0.307 1
1 517 . 11 1 1 A 43 43 THR CB C 43 68.500 69.174 -0.674 1
1 519 . 11 1 1 A 43 43 THR N N 43 111.500 112.004 -0.504 1
1 520 . 11 1 1 A 44 44 PRO HA H 44 3.680 4.256 -0.576 1
1 527 . 11 1 1 A 44 44 PRO C C 44 177.300 178.240 -0.940 1
1 528 . 11 1 1 A 44 44 PRO CA C 44 65.200 65.800 -0.600 1
1 529 . 11 1 1 A 44 44 PRO CB C 44 32.400 31.637 0.763 1
1 532 . 11 1 1 A 45 45 GLU H H 45 8.900 9.077 -0.177 1
1 533 . 11 1 1 A 45 45 GLU HA H 45 3.990 4.075 -0.085 1
1 538 . 11 1 1 A 45 45 GLU C C 45 179.000 178.612 0.388 1
1 539 . 11 1 1 A 45 45 GLU CA C 45 61.300 58.211 3.089 1
1 540 . 11 1 1 A 45 45 GLU CB C 45 28.200 28.595 -0.395 1
1 542 . 11 1 1 A 45 45 GLU N N 45 117.100 116.847 0.253 1
1 543 . 11 1 1 A 46 46 THR H H 46 7.680 7.610 0.070 1
1 544 . 11 1 1 A 46 46 THR HA H 46 3.560 3.667 -0.107 1
1 549 . 11 1 1 A 46 46 THR C C 46 173.800 176.917 -3.117 1
1 550 . 11 1 1 A 46 46 THR CA C 46 66.300 66.573 -0.273 1
1 551 . 11 1 1 A 46 46 THR CB C 46 68.000 67.204 0.796 1
1 553 . 11 1 1 A 46 46 THR N N 46 118.800 116.725 2.075 1
1 554 . 11 1 1 A 47 47 LEU H H 47 7.040 7.809 -0.769 1
1 555 . 11 1 1 A 47 47 LEU HA H 47 3.170 3.854 -0.684 1
1 565 . 11 1 1 A 47 47 LEU C C 47 177.500 179.329 -1.829 1
1 566 . 11 1 1 A 47 47 LEU CA C 47 56.800 57.886 -1.086 1
1 567 . 11 1 1 A 47 47 LEU CB C 47 40.500 41.234 -0.734 1
1 571 . 11 1 1 A 47 47 LEU N N 47 120.600 121.658 -1.058 1
1 572 . 11 1 1 A 48 48 ARG H H 48 8.430 7.431 0.999 1
1 573 . 11 1 1 A 48 48 ARG HA H 48 3.880 3.949 -0.069 1
1 580 . 11 1 1 A 48 48 ARG C C 48 177.400 178.644 -1.244 1
1 581 . 11 1 1 A 48 48 ARG CA C 48 60.200 58.804 1.396 1
1 582 . 11 1 1 A 48 48 ARG CB C 48 30.500 29.531 0.969 1
1 585 . 11 1 1 A 48 48 ARG N N 48 118.200 119.453 -1.253 1
1 586 . 11 1 1 A 49 49 VAL H H 49 7.400 7.489 -0.089 1
1 587 . 11 1 1 A 49 49 VAL HA H 49 3.630 3.590 0.040 1
1 595 . 11 1 1 A 49 49 VAL C C 49 178.900 178.242 0.658 1
1 596 . 11 1 1 A 49 49 VAL CA C 49 67.200 66.595 0.605 1
1 597 . 11 1 1 A 49 49 VAL CB C 49 30.700 31.555 -0.855 1
1 600 . 11 1 1 A 49 49 VAL N N 49 120.300 118.603 1.697 1
1 601 . 11 1 1 A 50 50 TRP H H 50 7.850 8.094 -0.244 1
1 602 . 11 1 1 A 50 50 TRP HA H 50 4.740 4.401 0.339 1
1 611 . 11 1 1 A 50 50 TRP C C 50 180.400 178.966 1.434 1
1 612 . 11 1 1 A 50 50 TRP CA C 50 57.800 60.093 -2.293 1
1 613 . 11 1 1 A 50 50 TRP CB C 50 28.700 29.391 -0.691 1
1 619 . 11 1 1 A 50 50 TRP N N 50 120.300 119.724 0.576 1
1 621 . 11 1 1 A 51 51 VAL H H 51 8.820 8.727 0.093 1
1 622 . 11 1 1 A 51 51 VAL HA H 51 3.690 3.724 -0.034 1
1 630 . 11 1 1 A 51 51 VAL C C 51 177.700 178.022 -0.322 1
1 631 . 11 1 1 A 51 51 VAL CA C 51 66.800 66.704 0.096 1
1 632 . 11 1 1 A 51 51 VAL CB C 51 32.000 31.291 0.709 1
1 635 . 11 1 1 A 51 51 VAL N N 51 121.300 120.081 1.219 1
1 636 . 11 1 1 A 52 52 ARG H H 52 8.740 8.076 0.664 1
1 637 . 11 1 1 A 52 52 ARG HA H 52 4.260 3.957 0.303 1
1 644 . 11 1 1 A 52 52 ARG C C 52 179.500 179.203 0.297 1
1 645 . 11 1 1 A 52 52 ARG CA C 52 58.900 60.182 -1.282 1
1 646 . 11 1 1 A 52 52 ARG CB C 52 29.900 29.797 0.103 1
1 649 . 11 1 1 A 52 52 ARG N N 52 120.200 119.400 0.800 1
1 650 . 11 1 1 A 53 53 GLN H H 53 8.540 8.584 -0.044 1
1 651 . 11 1 1 A 53 53 GLN HA H 53 4.050 4.065 -0.015 1
1 658 . 11 1 1 A 53 53 GLN C C 53 177.600 178.826 -1.226 1
1 659 . 11 1 1 A 53 53 GLN CA C 53 58.700 59.094 -0.394 1
1 660 . 11 1 1 A 53 53 GLN CB C 53 28.100 28.404 -0.304 1
1 662 . 11 1 1 A 53 53 GLN N N 53 119.100 118.826 0.274 1
1 664 . 11 1 1 A 54 54 HIS H H 54 8.010 8.428 -0.418 1
1 665 . 11 1 1 A 54 54 HIS HA H 54 4.410 4.246 0.164 1
1 668 . 11 1 1 A 54 54 HIS C C 54 177.800 177.004 0.796 1
1 669 . 11 1 1 A 54 54 HIS CA C 54 59.700 59.019 0.681 1
1 670 . 11 1 1 A 54 54 HIS CB C 54 30.600 30.076 0.524 1
1 671 . 11 1 1 A 54 54 HIS N N 54 119.300 120.739 -1.439 1
1 672 . 11 1 1 A 55 55 GLU H H 55 8.460 8.190 0.270 1
1 673 . 11 1 1 A 55 55 GLU HA H 55 3.940 3.966 -0.026 1
1 678 . 11 1 1 A 55 55 GLU C C 55 178.400 178.453 -0.053 1
1 679 . 11 1 1 A 55 55 GLU CA C 55 58.800 59.086 -0.286 1
1 680 . 11 1 1 A 55 55 GLU CB C 55 29.800 29.103 0.697 1
1 682 . 11 1 1 A 55 55 GLU N N 55 119.700 118.840 0.860 1
1 683 . 11 1 1 A 56 56 ARG H H 56 7.990 7.455 0.535 1
1 684 . 11 1 1 A 56 56 ARG HA H 56 4.160 4.117 0.043 1
1 691 . 11 1 1 A 56 56 ARG C C 56 177.800 178.334 -0.534 1
1 692 . 11 1 1 A 56 56 ARG CA C 56 58.100 58.077 0.023 1
1 693 . 11 1 1 A 56 56 ARG CB C 56 30.100 30.102 -0.002 1
1 696 . 11 1 1 A 56 56 ARG N N 56 119.200 119.561 -0.361 1
1 697 . 11 1 1 A 57 57 ASP H H 57 8.300 7.976 0.324 1
1 698 . 11 1 1 A 57 57 ASP HA H 57 4.550 4.340 0.210 1
1 701 . 11 1 1 A 57 57 ASP C C 57 177.400 177.964 -0.564 1
1 702 . 11 1 1 A 57 57 ASP CA C 57 55.800 57.452 -1.652 1
1 703 . 11 1 1 A 57 57 ASP CB C 57 40.800 41.471 -0.671 1
1 704 . 11 1 1 A 57 57 ASP N N 57 120.000 119.671 0.329 1
1 705 . 11 1 1 A 58 58 THR H H 58 7.890 7.547 0.343 1
1 706 . 11 1 1 A 58 58 THR HA H 58 4.310 4.257 0.053 1
1 711 . 11 1 1 A 58 58 THR C C 58 175.500 174.738 0.762 1
1 712 . 11 1 1 A 58 58 THR CA C 58 62.200 61.978 0.222 1
1 713 . 11 1 1 A 58 58 THR CB C 58 69.800 68.694 1.106 1
1 715 . 11 1 1 A 58 58 THR N N 58 111.300 111.769 -0.469 1
1 716 . 11 1 1 A 59 59 GLY H H 59 8.070 7.748 0.322 1
1 717 . 11 1 1 A 59 59 GLY HA2 H 59 4.010 4.088 -0.078 1
1 718 . 11 1 1 A 59 59 GLY HA3 H 59 4.010 4.090 -0.080 1
1 719 . 11 1 1 A 59 59 GLY C C 59 174.700 174.311 0.389 1
1 720 . 11 1 1 A 59 59 GLY CA C 59 45.600 45.037 0.563 1
1 721 . 11 1 1 A 59 59 GLY N N 59 110.600 109.278 1.322 1
1 722 . 11 1 1 A 60 60 GLY H H 60 8.260 8.483 -0.223 1
1 723 . 11 1 1 A 60 60 GLY HA2 H 60 3.990 3.958 0.032 1
1 724 . 11 1 1 A 60 60 GLY HA3 H 60 3.990 3.961 0.029 1
1 725 . 11 1 1 A 60 60 GLY C C 60 173.900 174.628 -0.728 1
1 726 . 11 1 1 A 60 60 GLY CA C 60 45.100 45.223 -0.123 1
1 727 . 11 1 1 A 60 60 GLY N N 60 108.700 108.019 0.681 1
1 728 . 11 1 1 A 61 61 ASP H H 61 8.320 8.039 0.281 1
1 729 . 11 1 1 A 61 61 ASP HA H 61 4.650 4.390 0.260 1
1 732 . 11 1 1 A 61 61 ASP C C 61 176.200 175.057 1.143 1
1 733 . 11 1 1 A 61 61 ASP CA C 61 54.200 56.495 -2.295 1
1 734 . 11 1 1 A 61 61 ASP CB C 61 41.300 41.611 -0.311 1
1 735 . 11 1 1 A 61 61 ASP N N 61 120.500 121.677 -1.177 1
1 736 . 11 1 1 A 62 62 ASP H H 62 8.400 7.949 0.451 1
1 737 . 11 1 1 A 62 62 ASP HA H 62 4.600 5.104 -0.504 1
1 740 . 11 1 1 A 62 62 ASP C C 62 177.100 175.812 1.288 1
1 741 . 11 1 1 A 62 62 ASP CA C 62 54.200 52.313 1.887 1
1 742 . 11 1 1 A 62 62 ASP CB C 62 41.100 43.476 -2.376 1
1 743 . 11 1 1 A 62 62 ASP N N 62 121.100 118.243 2.857 1
1 744 . 11 1 1 A 63 63 GLY H H 63 8.500 8.758 -0.258 1
1 745 . 11 1 1 A 63 63 GLY HA2 H 63 3.950 4.102 -0.152 1
1 746 . 11 1 1 A 63 63 GLY HA3 H 63 3.950 4.104 -0.154 1
1 747 . 11 1 1 A 63 63 GLY C C 63 175.000 174.329 0.671 1
1 748 . 11 1 1 A 63 63 GLY CA C 63 45.700 45.410 0.290 1
1 749 . 11 1 1 A 63 63 GLY N N 63 109.400 111.930 -2.530 1
1 750 . 11 1 1 A 64 64 GLY H H 64 8.360 8.314 0.046 1
1 751 . 11 1 1 A 64 64 GLY HA2 H 64 3.950 4.065 -0.115 1
1 752 . 11 1 1 A 64 64 GLY HA3 H 64 3.950 4.066 -0.116 1
1 753 . 11 1 1 A 64 64 GLY C C 64 174.300 175.012 -0.712 1
1 754 . 11 1 1 A 64 64 GLY CA C 64 45.300 45.199 0.101 1
1 755 . 11 1 1 A 64 64 GLY N N 64 108.700 107.935 0.765 1
1 756 . 11 1 1 A 65 65 LEU H H 65 8.020 8.343 -0.323 1
1 757 . 11 1 1 A 65 65 LEU HA H 65 4.460 4.546 -0.086 1
1 767 . 11 1 1 A 65 65 LEU C C 65 178.000 176.813 1.187 1
1 768 . 11 1 1 A 65 65 LEU CA C 65 55.200 54.204 0.996 1
1 769 . 11 1 1 A 65 65 LEU CB C 65 42.700 43.128 -0.428 1
1 773 . 11 1 1 A 65 65 LEU N N 65 121.300 118.292 3.008 1
1 774 . 11 1 1 A 66 66 THR H H 66 8.470 8.129 0.341 1
1 775 . 11 1 1 A 66 66 THR HA H 66 4.440 4.293 0.147 1
1 780 . 11 1 1 A 66 66 THR C C 66 175.200 173.426 1.774 1
1 781 . 11 1 1 A 66 66 THR CA C 66 61.600 64.207 -2.607 1
1 782 . 11 1 1 A 66 66 THR CB C 66 70.200 68.152 2.048 1
1 784 . 11 1 1 A 66 66 THR N N 66 114.300 113.312 0.988 1
1 785 . 11 1 1 A 67 67 THR H H 67 8.370 8.260 0.110 1
1 786 . 11 1 1 A 67 67 THR HA H 67 4.110 5.092 -0.982 1
1 791 . 11 1 1 A 67 67 THR C C 67 175.300 173.251 2.049 1
1 792 . 11 1 1 A 67 67 THR CA C 67 63.900 59.496 4.404 1
1 793 . 11 1 1 A 67 67 THR CB C 67 69.100 72.842 -3.742 1
1 795 . 11 1 1 A 67 67 THR N N 67 116.600 116.742 -0.142 1
1 796 . 11 1 1 A 68 68 ALA H H 68 8.340 8.693 -0.353 1
1 797 . 11 1 1 A 68 68 ALA HA H 68 4.220 4.510 -0.290 1
1 801 . 11 1 1 A 68 68 ALA C C 68 179.100 178.196 0.904 1
1 802 . 11 1 1 A 68 68 ALA CA C 68 53.800 51.521 2.279 1
1 803 . 11 1 1 A 68 68 ALA CB C 68 18.700 19.797 -1.097 1
1 804 . 11 1 1 A 68 68 ALA N N 68 124.500 124.907 -0.407 1
1 805 . 11 1 1 A 69 69 GLU H H 69 8.090 8.713 -0.623 1
1 806 . 11 1 1 A 69 69 GLU HA H 69 4.140 4.332 -0.192 1
1 811 . 11 1 1 A 69 69 GLU C C 69 177.800 175.427 2.373 1
1 812 . 11 1 1 A 69 69 GLU CA C 69 57.700 58.025 -0.325 1
1 813 . 11 1 1 A 69 69 GLU CB C 69 30.100 29.610 0.490 1
1 815 . 11 1 1 A 69 69 GLU N N 69 119.000 120.231 -1.231 1
1 816 . 11 1 1 A 70 70 ARG H H 70 8.300 7.871 0.429 1
1 817 . 11 1 1 A 70 70 ARG HA H 70 4.140 4.534 -0.394 1
1 824 . 11 1 1 A 70 70 ARG C C 70 177.400 174.822 2.578 1
1 825 . 11 1 1 A 70 70 ARG CA C 70 57.500 54.999 2.501 1
1 826 . 11 1 1 A 70 70 ARG CB C 70 30.300 30.494 -0.194 1
1 829 . 11 1 1 A 70 70 ARG N N 70 120.400 120.359 0.041 1
1 830 . 11 1 1 A 71 71 GLN H H 71 8.200 8.169 0.031 1
1 831 . 11 1 1 A 71 71 GLN HA H 71 4.200 4.608 -0.408 1
1 838 . 11 1 1 A 71 71 GLN C C 71 176.600 173.695 2.905 1
1 839 . 11 1 1 A 71 71 GLN CA C 71 56.800 55.184 1.616 1
1 840 . 11 1 1 A 71 71 GLN CB C 71 28.900 33.441 -4.541 1
1 842 . 11 1 1 A 71 71 GLN N N 71 119.500 123.014 -3.514 1
1 844 . 11 1 1 A 72 72 ARG H H 72 7.990 8.483 -0.493 1
1 845 . 11 1 1 A 72 72 ARG HA H 72 4.240 4.606 -0.366 1
1 847 . 11 1 1 A 72 72 ARG C C 72 176.600 176.120 0.480 1
1 848 . 11 1 1 A 72 72 ARG CA C 72 56.900 56.350 0.550 1
1 849 . 11 1 1 A 72 72 ARG CB C 72 30.500 31.314 -0.814 1
1 852 . 11 1 1 A 72 72 ARG N N 72 120.600 126.317 -5.717 1
1 853 . 11 1 1 A 73 73 LEU H H 73 7.980 8.403 -0.423 1
1 854 . 11 1 1 A 73 73 LEU HA H 73 4.280 4.555 -0.275 1
1 864 . 11 1 1 A 73 73 LEU C C 73 177.100 177.203 -0.103 1
1 865 . 11 1 1 A 73 73 LEU CA C 73 55.300 53.964 1.336 1
1 866 . 11 1 1 A 73 73 LEU CB C 73 42.200 43.752 -1.552 1
1 870 . 11 1 1 A 73 73 LEU N N 73 121.400 122.964 -1.564 1
1 871 . 11 1 1 A 74 74 LYS H H 74 8.050 8.960 -0.910 1
1 872 . 11 1 1 A 74 74 LYS HA H 74 4.300 4.358 -0.058 1
1 881 . 11 1 1 A 74 74 LYS C C 74 176.100 176.487 -0.387 1
1 882 . 11 1 1 A 74 74 LYS CA C 74 56.000 58.082 -2.082 1
1 883 . 11 1 1 A 74 74 LYS CB C 74 33.000 32.682 0.318 1
1 887 . 11 1 1 A 74 74 LYS N N 74 121.000 119.330 1.670 1
1 888 . 11 1 1 A 75 75 GLU H H 75 8.360 7.730 0.630 1
1 889 . 11 1 1 A 75 75 GLU HA H 75 4.550 4.908 -0.358 1
1 894 . 11 1 1 A 75 75 GLU CA C 75 54.400 53.743 0.657 1
1 895 . 11 1 1 A 75 75 GLU CB C 75 29.600 32.138 -2.538 1
1 897 . 11 1 1 A 75 75 GLU N N 75 123.800 114.384 9.416 1
1 898 . 11 1 1 A 76 76 PRO HA H 76 4.410 4.892 -0.482 1
1 905 . 11 1 1 A 76 76 PRO C C 76 177.000 177.377 -0.377 1
1 906 . 11 1 1 A 76 76 PRO CA C 76 63.300 62.270 1.030 1
1 907 . 11 1 1 A 76 76 PRO CB C 76 32.000 32.053 -0.053 1
1 910 . 11 1 1 A 77 77 GLU H H 77 8.580 8.845 -0.265 1
1 911 . 11 1 1 A 77 77 GLU HA H 77 4.220 4.477 -0.257 1
1 916 . 11 1 1 A 77 77 GLU C C 77 176.700 176.708 -0.008 1
1 917 . 11 1 1 A 77 77 GLU CA C 77 56.800 56.327 0.473 1
1 918 . 11 1 1 A 77 77 GLU CB C 77 29.900 30.117 -0.217 1
1 920 . 11 1 1 A 77 77 GLU N N 77 120.800 122.548 -1.748 1
1 921 . 11 1 1 A 78 78 ARG H H 78 8.330 7.806 0.524 1
1 922 . 11 1 1 A 78 78 ARG HA H 78 4.270 3.977 0.293 1
1 925 . 11 1 1 A 78 78 ARG C C 78 176.500 175.969 0.531 1
1 926 . 11 1 1 A 78 78 ARG CA C 78 56.700 59.089 -2.389 1
1 927 . 11 1 1 A 78 78 ARG CB C 78 30.600 30.682 -0.082 1
1 930 . 11 1 1 A 78 78 ARG N N 78 122.000 121.356 0.644 1
1 931 . 11 1 1 A 79 79 GLU H H 79 8.020 7.826 0.194 1
1 932 . 11 1 1 A 79 79 GLU HA H 79 4.230 4.766 -0.536 1
1 937 . 11 1 1 A 79 79 GLU C C 79 176.100 175.947 0.153 1
1 938 . 11 1 1 A 79 79 GLU CA C 79 56.500 55.709 0.791 1
1 939 . 11 1 1 A 79 79 GLU CB C 79 30.200 31.289 -1.089 1
1 941 . 11 1 1 A 79 79 GLU N N 79 121.900 115.526 6.374 1
1 942 . 11 1 1 A 80 80 ASN H H 80 8.510 8.874 -0.364 1
1 943 . 11 1 1 A 80 80 ASN HA H 80 4.690 5.194 -0.504 1
1 948 . 11 1 1 A 80 80 ASN C C 80 175.400 174.347 1.053 1
1 949 . 11 1 1 A 80 80 ASN CA C 80 53.300 52.709 0.591 1
1 950 . 11 1 1 A 80 80 ASN CB C 80 38.500 40.041 -1.541 1
1 951 . 11 1 1 A 80 80 ASN N N 80 120.000 122.855 -2.855 1
1 953 . 11 1 1 A 81 81 ARG H H 81 8.400 8.726 -0.326 1
1 954 . 11 1 1 A 81 81 ARG HA H 81 4.250 4.748 -0.498 1
1 961 . 11 1 1 A 81 81 ARG C C 81 175.600 175.084 0.516 1
1 962 . 11 1 1 A 81 81 ARG CA C 81 56.500 55.309 1.191 1
1 963 . 11 1 1 A 81 81 ARG CB C 81 30.800 30.765 0.035 1
1 966 . 11 1 1 A 81 81 ARG N N 81 121.900 123.516 -1.616 1
1 967 . 11 1 1 A 82 82 GLU H H 82 8.410 8.841 -0.431 1
1 968 . 11 1 1 A 82 82 GLU HA H 82 4.240 4.931 -0.691 1
1 973 . 11 1 1 A 82 82 GLU C C 82 176.400 175.363 1.037 1
1 974 . 11 1 1 A 82 82 GLU CA C 82 56.700 55.047 1.653 1
1 975 . 11 1 1 A 82 82 GLU CB C 82 29.900 33.039 -3.139 1
1 977 . 11 1 1 A 82 82 GLU N N 82 120.900 125.454 -4.554 1
1 978 . 11 1 1 A 83 83 LEU H H 83 8.120 8.816 -0.696 1
1 979 . 11 1 1 A 83 83 LEU HA H 83 4.310 4.576 -0.266 1
1 988 . 11 1 1 A 83 83 LEU C C 83 177.100 178.025 -0.925 1
1 989 . 11 1 1 A 83 83 LEU CA C 83 55.200 53.964 1.236 1
1 990 . 11 1 1 A 83 83 LEU CB C 83 42.100 44.228 -2.128 1
1 994 . 11 1 1 A 83 83 LEU N N 83 122.800 129.135 -6.335 1
1 995 . 11 1 1 A 84 84 ARG H H 84 8.260 8.238 0.022 1
1 996 . 11 1 1 A 84 84 ARG HA H 84 4.340 4.441 -0.101 1
1 999 . 11 1 1 A 84 84 ARG C C 84 176.000 175.480 0.520 1
1 1000 . 11 1 1 A 84 84 ARG CA C 84 55.900 55.457 0.443 1
1 1001 . 11 1 1 A 84 84 ARG CB C 84 30.600 30.860 -0.260 1
1 1004 . 11 1 1 A 84 84 ARG N N 84 121.800 118.522 3.278 1
1 1005 . 11 1 1 A 85 85 ARG H H 85 8.390 7.480 0.910 1
1 1006 . 11 1 1 A 85 85 ARG HA H 85 4.390 4.908 -0.518 1
1 1009 . 11 1 1 A 85 85 ARG C C 85 176.100 175.438 0.662 1
1 1010 . 11 1 1 A 85 85 ARG CA C 85 56.000 54.101 1.899 1
1 1011 . 11 1 1 A 85 85 ARG CB C 85 31.000 34.507 -3.507 1
1 1014 . 11 1 1 A 85 85 ARG N N 85 122.800 118.317 4.483 1
1 1015 . 11 1 1 A 86 86 SER H H 86 8.430 8.680 -0.250 1
1 1016 . 11 1 1 A 86 86 SER HA H 86 4.470 4.642 -0.172 1
1 1019 . 11 1 1 A 86 86 SER C C 86 173.300 174.068 -0.768 1
1 1020 . 11 1 1 A 86 86 SER CA C 86 58.200 58.801 -0.601 1
1 1021 . 11 1 1 A 86 86 SER CB C 86 64.000 63.495 0.505 1
1 1022 . 11 1 1 A 86 86 SER N N 86 117.500 116.973 0.527 1
1 1023 . 11 1 1 A 87 87 ASN H H 87 8.120 8.615 -0.495 1
1 1024 . 11 1 1 A 87 87 ASN HA H 87 4.470 4.790 -0.320 1
1 1029 . 11 1 1 A 87 87 ASN CA C 87 54.800 53.238 1.562 1
1 1030 . 11 1 1 A 87 87 ASN CB C 87 40.100 37.559 2.541 1
1 1031 . 11 1 1 A 87 87 ASN N N 87 125.900 122.509 3.391 1
1 1033 . 11 1 1 A 88 88 ASP HA H 88 4.640 4.928 -0.288 1
1 1036 . 11 1 1 A 88 88 ASP C C 88 175.700 176.496 -0.796 1
1 1037 . 11 1 1 A 88 88 ASP CA C 88 54.500 52.849 1.651 1
1 1038 . 11 1 1 A 88 88 ASP CB C 88 41.100 41.476 -0.376 1
1 1039 . 11 1 1 A 89 89 ILE H H 89 8.000 8.502 -0.502 1
1 1040 . 11 1 1 A 89 89 ILE HA H 89 4.160 4.570 -0.410 1
1 1050 . 11 1 1 A 89 89 ILE C C 89 175.200 175.087 0.113 1
1 1051 . 11 1 1 A 89 89 ILE CA C 89 61.100 59.966 1.134 1
1 1052 . 11 1 1 A 89 89 ILE CB C 89 38.500 38.490 0.010 1
1 1056 . 11 1 1 A 89 89 ILE N N 89 120.400 115.745 4.655 1
1 1057 . 11 1 1 A 90 90 LEU H H 90 7.880 8.014 -0.134 1
1 1058 . 11 1 1 A 90 90 LEU HA H 90 4.190 4.733 -0.543 1
1 1067 . 11 1 1 A 90 90 LEU CA C 90 56.700 53.168 3.532 1
1 1068 . 11 1 1 A 90 90 LEU CB C 90 43.300 42.686 0.614 1
1 1072 . 11 1 1 A 90 90 LEU N N 90 131.900 124.182 7.718 1
1 1073 . 11 1 1 A 93 93 ALA HA H 93 4.370 3.989 0.381 1
1 1077 . 11 1 1 A 93 93 ALA C C 93 176.600 176.528 0.072 1
1 1078 . 11 1 1 A 93 93 ALA CA C 93 52.300 53.138 -0.838 1
1 1079 . 11 1 1 A 93 93 ALA CB C 93 19.200 17.849 1.351 1
1 1080 . 11 1 1 A 94 94 SER H H 94 7.910 8.388 -0.478 1
1 1081 . 11 1 1 A 94 94 SER HA H 94 4.250 4.029 0.221 1
1 1084 . 11 1 1 A 94 94 SER CA C 94 59.900 58.804 1.096 1
1 1085 . 11 1 1 A 94 94 SER CB C 94 64.700 61.841 2.859 1
1 1 . 12 1 1 A 2 2 THR HA H 2 4.360 4.543 -0.183 1
1 6 . 12 1 1 A 2 2 THR C C 2 174.300 173.984 0.316 1
1 7 . 12 1 1 A 2 2 THR CA C 2 61.900 61.885 0.015 1
1 8 . 12 1 1 A 2 2 THR CB C 2 69.900 71.009 -1.109 1
1 10 . 12 1 1 A 3 3 LYS H H 3 8.520 7.727 0.793 1
1 11 . 12 1 1 A 3 3 LYS HA H 3 4.320 4.718 -0.398 1
1 20 . 12 1 1 A 3 3 LYS C C 3 176.100 176.241 -0.141 1
1 21 . 12 1 1 A 3 3 LYS CA C 3 56.400 54.790 1.610 1
1 22 . 12 1 1 A 3 3 LYS CB C 3 33.000 34.771 -1.771 1
1 26 . 12 1 1 A 3 3 LYS N N 3 124.100 117.966 6.134 1
1 27 . 12 1 1 A 4 4 ASN H H 4 8.560 9.149 -0.589 1
1 28 . 12 1 1 A 4 4 ASN HA H 4 4.760 4.596 0.164 1
1 33 . 12 1 1 A 4 4 ASN C C 4 175.200 175.988 -0.788 1
1 34 . 12 1 1 A 4 4 ASN CA C 4 53.300 54.475 -1.175 1
1 35 . 12 1 1 A 4 4 ASN CB C 4 38.900 38.362 0.538 1
1 36 . 12 1 1 A 4 4 ASN N N 4 120.200 118.499 1.701 1
1 38 . 12 1 1 A 5 5 THR H H 5 8.130 7.876 0.254 1
1 39 . 12 1 1 A 5 5 THR HA H 5 4.310 4.020 0.290 1
1 44 . 12 1 1 A 5 5 THR C C 5 173.900 174.910 -1.010 1
1 45 . 12 1 1 A 5 5 THR CA C 5 61.800 66.490 -4.690 1
1 46 . 12 1 1 A 5 5 THR CB C 5 69.500 69.000 0.500 1
1 48 . 12 1 1 A 5 5 THR N N 5 114.900 113.501 1.399 1
1 49 . 12 1 1 A 6 6 ARG H H 6 8.160 7.764 0.396 1
1 50 . 12 1 1 A 6 6 ARG HA H 6 4.300 3.707 0.593 1
1 57 . 12 1 1 A 6 6 ARG C C 6 176.300 174.266 2.034 1
1 58 . 12 1 1 A 6 6 ARG CA C 6 56.300 58.062 -1.762 1
1 59 . 12 1 1 A 6 6 ARG CB C 6 30.700 28.840 1.860 1
1 62 . 12 1 1 A 6 6 ARG N N 6 123.600 119.618 3.982 1
1 63 . 12 1 1 A 7 7 PHE H H 7 8.460 8.685 -0.225 1
1 64 . 12 1 1 A 7 7 PHE HA H 7 4.760 5.207 -0.447 1
1 72 . 12 1 1 A 7 7 PHE C C 7 175.000 174.857 0.143 1
1 73 . 12 1 1 A 7 7 PHE CA C 7 56.700 57.017 -0.317 1
1 74 . 12 1 1 A 7 7 PHE CB C 7 40.300 43.355 -3.055 1
1 80 . 12 1 1 A 7 7 PHE N N 7 121.500 118.817 2.683 1
1 81 . 12 1 1 A 8 8 SER H H 8 8.520 8.723 -0.203 1
1 82 . 12 1 1 A 8 8 SER HA H 8 4.600 4.806 -0.206 1
1 85 . 12 1 1 A 8 8 SER CA C 8 56.700 55.035 1.665 1
1 86 . 12 1 1 A 8 8 SER CB C 8 62.600 63.421 -0.821 1
1 87 . 12 1 1 A 8 8 SER N N 8 121.500 116.037 5.463 1
1 88 . 12 1 1 A 9 9 PRO HA H 9 3.920 4.178 -0.258 1
1 95 . 12 1 1 A 9 9 PRO C C 9 178.500 178.968 -0.468 1
1 96 . 12 1 1 A 9 9 PRO CA C 9 65.800 65.567 0.233 1
1 97 . 12 1 1 A 9 9 PRO CB C 9 31.500 31.803 -0.303 1
1 100 . 12 1 1 A 10 10 GLU H H 10 8.610 8.193 0.417 1
1 101 . 12 1 1 A 10 10 GLU HA H 10 3.990 4.021 -0.031 1
1 106 . 12 1 1 A 10 10 GLU C C 10 179.100 179.503 -0.403 1
1 107 . 12 1 1 A 10 10 GLU CA C 10 60.000 59.503 0.497 1
1 108 . 12 1 1 A 10 10 GLU CB C 10 28.800 29.342 -0.542 1
1 110 . 12 1 1 A 10 10 GLU N N 10 116.600 117.656 -1.056 1
1 111 . 12 1 1 A 11 11 VAL H H 11 7.510 7.978 -0.468 1
1 112 . 12 1 1 A 11 11 VAL HA H 11 3.610 3.508 0.102 1
1 120 . 12 1 1 A 11 11 VAL C C 11 177.700 177.592 0.108 1
1 121 . 12 1 1 A 11 11 VAL CA C 11 66.400 66.778 -0.378 1
1 122 . 12 1 1 A 11 11 VAL CB C 11 31.600 31.462 0.138 1
1 125 . 12 1 1 A 11 11 VAL N N 11 122.700 121.447 1.253 1
1 126 . 12 1 1 A 12 12 ARG H H 12 7.800 8.028 -0.228 1
1 127 . 12 1 1 A 12 12 ARG HA H 12 3.440 3.219 0.221 1
1 135 . 12 1 1 A 12 12 ARG C C 12 178.000 178.731 -0.731 1
1 136 . 12 1 1 A 12 12 ARG CA C 12 59.300 59.511 -0.211 1
1 137 . 12 1 1 A 12 12 ARG CB C 12 29.600 29.545 0.055 1
1 140 . 12 1 1 A 12 12 ARG N N 12 118.700 119.516 -0.816 1
1 142 . 12 1 1 A 13 13 GLN H H 13 8.050 7.968 0.082 1
1 143 . 12 1 1 A 13 13 GLN HA H 13 3.860 3.987 -0.127 1
1 150 . 12 1 1 A 13 13 GLN C C 13 178.800 178.667 0.133 1
1 151 . 12 1 1 A 13 13 GLN CA C 13 58.600 58.955 -0.355 1
1 152 . 12 1 1 A 13 13 GLN CB C 13 28.300 28.442 -0.142 1
1 154 . 12 1 1 A 13 13 GLN N N 13 116.100 118.614 -2.514 1
1 156 . 12 1 1 A 14 14 ARG H H 14 7.750 7.842 -0.092 1
1 157 . 12 1 1 A 14 14 ARG HA H 14 3.970 3.988 -0.018 1
1 164 . 12 1 1 A 14 14 ARG C C 14 177.900 178.876 -0.976 1
1 165 . 12 1 1 A 14 14 ARG CA C 14 59.100 58.829 0.271 1
1 166 . 12 1 1 A 14 14 ARG CB C 14 30.000 30.276 -0.276 1
1 169 . 12 1 1 A 14 14 ARG N N 14 120.400 119.299 1.101 1
1 170 . 12 1 1 A 15 15 ALA H H 15 8.500 7.904 0.596 1
1 171 . 12 1 1 A 15 15 ALA HA H 15 4.040 4.095 -0.055 1
1 175 . 12 1 1 A 15 15 ALA C C 15 178.800 179.925 -1.125 1
1 176 . 12 1 1 A 15 15 ALA CA C 15 55.300 55.038 0.262 1
1 177 . 12 1 1 A 15 15 ALA CB C 15 19.700 18.512 1.188 1
1 178 . 12 1 1 A 15 15 ALA N N 15 122.200 122.265 -0.065 1
1 179 . 12 1 1 A 16 16 VAL H H 16 8.230 7.895 0.335 1
1 180 . 12 1 1 A 16 16 VAL HA H 16 3.360 3.416 -0.056 1
1 188 . 12 1 1 A 16 16 VAL C C 16 177.700 178.152 -0.452 1
1 189 . 12 1 1 A 16 16 VAL CA C 16 67.100 67.089 0.011 1
1 190 . 12 1 1 A 16 16 VAL CB C 16 31.600 31.502 0.098 1
1 193 . 12 1 1 A 16 16 VAL N N 16 116.500 118.433 -1.933 1
1 194 . 12 1 1 A 17 17 ARG H H 17 7.900 8.186 -0.286 1
1 195 . 12 1 1 A 17 17 ARG HA H 17 3.830 3.928 -0.098 1
1 202 . 12 1 1 A 17 17 ARG C C 17 178.000 178.351 -0.351 1
1 203 . 12 1 1 A 17 17 ARG CA C 17 59.700 59.347 0.353 1
1 204 . 12 1 1 A 17 17 ARG CB C 17 29.200 29.585 -0.385 1
1 207 . 12 1 1 A 17 17 ARG N N 17 119.000 120.368 -1.368 1
1 208 . 12 1 1 A 18 18 MET H H 18 8.210 8.189 0.021 1
1 209 . 12 1 1 A 18 18 MET HA H 18 4.090 4.159 -0.069 1
1 217 . 12 1 1 A 18 18 MET C C 18 179.400 178.657 0.743 1
1 218 . 12 1 1 A 18 18 MET CA C 18 59.500 58.418 1.082 1
1 219 . 12 1 1 A 18 18 MET CB C 18 33.600 32.865 0.735 1
1 222 . 12 1 1 A 18 18 MET N N 18 117.300 118.385 -1.085 1
1 223 . 12 1 1 A 19 19 VAL H H 19 7.790 8.017 -0.227 1
1 224 . 12 1 1 A 19 19 VAL HA H 19 3.390 3.581 -0.191 1
1 232 . 12 1 1 A 19 19 VAL C C 19 177.200 178.254 -1.054 1
1 233 . 12 1 1 A 19 19 VAL CA C 19 66.100 66.929 -0.829 1
1 234 . 12 1 1 A 19 19 VAL CB C 19 31.600 31.496 0.104 1
1 237 . 12 1 1 A 19 19 VAL N N 19 119.900 119.540 0.360 1
1 238 . 12 1 1 A 20 20 LEU H H 20 8.280 8.316 -0.036 1
1 239 . 12 1 1 A 20 20 LEU HA H 20 4.070 3.834 0.236 1
1 249 . 12 1 1 A 20 20 LEU C C 20 180.600 178.981 1.619 1
1 250 . 12 1 1 A 20 20 LEU CA C 20 57.900 58.290 -0.390 1
1 251 . 12 1 1 A 20 20 LEU CB C 20 40.800 41.197 -0.397 1
1 255 . 12 1 1 A 20 20 LEU N N 20 118.400 119.100 -0.700 1
1 256 . 12 1 1 A 21 21 GLU H H 21 8.690 8.646 0.044 1
1 257 . 12 1 1 A 21 21 GLU HA H 21 4.230 3.961 0.269 1
1 262 . 12 1 1 A 21 21 GLU C C 21 178.200 178.496 -0.296 1
1 263 . 12 1 1 A 21 21 GLU CA C 21 57.900 59.802 -1.902 1
1 264 . 12 1 1 A 21 21 GLU CB C 21 29.700 29.494 0.206 1
1 266 . 12 1 1 A 21 21 GLU N N 21 115.900 119.826 -3.926 1
1 267 . 12 1 1 A 22 22 SER H H 22 7.580 8.030 -0.450 1
1 268 . 12 1 1 A 22 22 SER HA H 22 4.790 4.155 0.635 1
1 271 . 12 1 1 A 22 22 SER C C 22 175.200 177.043 -1.843 1
1 272 . 12 1 1 A 22 22 SER CA C 22 59.500 61.487 -1.987 1
1 273 . 12 1 1 A 22 22 SER CB C 22 64.500 62.655 1.845 1
1 274 . 12 1 1 A 22 22 SER N N 22 113.000 114.441 -1.441 1
1 275 . 12 1 1 A 23 23 GLN H H 23 7.780 8.513 -0.733 1
1 276 . 12 1 1 A 23 23 GLN HA H 23 4.800 4.426 0.374 1
1 283 . 12 1 1 A 23 23 GLN C C 23 177.100 178.054 -0.954 1
1 284 . 12 1 1 A 23 23 GLN CA C 23 57.800 59.239 -1.439 1
1 285 . 12 1 1 A 23 23 GLN CB C 23 28.100 28.889 -0.789 1
1 287 . 12 1 1 A 23 23 GLN N N 23 119.900 121.128 -1.228 1
1 289 . 12 1 1 A 24 24 GLY H H 24 8.680 8.063 0.617 1
1 290 . 12 1 1 A 24 24 GLY HA2 H 24 3.860 3.811 0.049 1
1 291 . 12 1 1 A 24 24 GLY HA3 H 24 4.110 3.817 0.293 1
1 292 . 12 1 1 A 24 24 GLY C C 24 175.100 175.356 -0.256 1
1 293 . 12 1 1 A 24 24 GLY CA C 24 45.900 46.930 -1.030 1
1 294 . 12 1 1 A 24 24 GLY N N 24 108.500 107.161 1.339 1
1 295 . 12 1 1 A 25 25 GLU H H 25 8.110 7.998 0.112 1
1 296 . 12 1 1 A 25 25 GLU HA H 25 4.210 4.570 -0.360 1
1 301 . 12 1 1 A 25 25 GLU C C 25 175.400 176.360 -0.960 1
1 302 . 12 1 1 A 25 25 GLU CA C 25 56.100 57.701 -1.601 1
1 303 . 12 1 1 A 25 25 GLU CB C 25 29.700 31.727 -2.027 1
1 305 . 12 1 1 A 25 25 GLU N N 25 118.200 120.682 -2.482 1
1 306 . 12 1 1 A 26 26 TYR H H 26 7.690 8.357 -0.667 1
1 307 . 12 1 1 A 26 26 TYR HA H 26 4.690 4.599 0.091 1
1 314 . 12 1 1 A 26 26 TYR C C 26 175.800 176.370 -0.570 1
1 315 . 12 1 1 A 26 26 TYR CA C 26 57.000 58.135 -1.135 1
1 316 . 12 1 1 A 26 26 TYR CB C 26 42.200 38.317 3.883 1
1 321 . 12 1 1 A 26 26 TYR N N 26 117.700 118.421 -0.721 1
1 322 . 12 1 1 A 27 27 ASP H H 27 8.850 8.874 -0.024 1
1 323 . 12 1 1 A 27 27 ASP HA H 27 4.520 4.504 0.016 1
1 326 . 12 1 1 A 27 27 ASP C C 27 175.900 176.259 -0.359 1
1 327 . 12 1 1 A 27 27 ASP CA C 27 55.400 55.749 -0.349 1
1 328 . 12 1 1 A 27 27 ASP CB C 27 41.200 40.472 0.728 1
1 329 . 12 1 1 A 27 27 ASP N N 27 117.500 125.274 -7.774 1
1 330 . 12 1 1 A 28 28 SER H H 28 7.550 7.835 -0.285 1
1 331 . 12 1 1 A 28 28 SER HA H 28 4.740 4.769 -0.029 1
1 334 . 12 1 1 A 28 28 SER CA C 28 57.200 58.367 -1.167 1
1 335 . 12 1 1 A 28 28 SER CB C 28 65.800 63.283 2.517 1
1 336 . 12 1 1 A 28 28 SER N N 28 109.000 115.581 -6.581 1
1 337 . 12 1 1 A 29 29 GLN HA H 29 3.950 3.811 0.139 1
1 344 . 12 1 1 A 29 29 GLN C C 29 178.100 177.501 0.599 1
1 345 . 12 1 1 A 29 29 GLN CA C 29 60.200 59.056 1.144 1
1 346 . 12 1 1 A 29 29 GLN CB C 29 29.900 28.029 1.871 1
1 349 . 12 1 1 A 30 30 TRP H H 30 9.010 8.113 0.897 1
1 350 . 12 1 1 A 30 30 TRP HA H 30 4.720 4.450 0.270 1
1 359 . 12 1 1 A 30 30 TRP C C 30 177.100 178.776 -1.676 1
1 360 . 12 1 1 A 30 30 TRP CA C 30 59.300 60.002 -0.702 1
1 361 . 12 1 1 A 30 30 TRP CB C 30 30.000 29.350 0.650 1
1 367 . 12 1 1 A 30 30 TRP N N 30 121.400 120.936 0.464 1
1 369 . 12 1 1 A 31 31 ALA H H 31 8.360 8.115 0.245 1
1 370 . 12 1 1 A 31 31 ALA HA H 31 3.790 4.230 -0.440 1
1 374 . 12 1 1 A 31 31 ALA C C 31 180.300 179.731 0.569 1
1 375 . 12 1 1 A 31 31 ALA CA C 31 55.300 55.246 0.054 1
1 376 . 12 1 1 A 31 31 ALA CB C 31 18.200 18.468 -0.268 1
1 377 . 12 1 1 A 31 31 ALA N N 31 121.600 122.442 -0.842 1
1 378 . 12 1 1 A 32 32 THR H H 32 7.420 7.798 -0.378 1
1 379 . 12 1 1 A 32 32 THR HA H 32 2.620 3.752 -1.132 1
1 384 . 12 1 1 A 32 32 THR C C 32 176.700 176.224 0.476 1
1 385 . 12 1 1 A 32 32 THR CA C 32 66.200 67.257 -1.057 1
1 386 . 12 1 1 A 32 32 THR CB C 32 67.800 68.604 -0.804 1
1 388 . 12 1 1 A 32 32 THR N N 32 115.700 114.536 1.164 1
1 389 . 12 1 1 A 33 33 ILE H H 33 8.490 8.390 0.100 1
1 390 . 12 1 1 A 33 33 ILE HA H 33 3.180 3.566 -0.386 1
1 400 . 12 1 1 A 33 33 ILE C C 33 177.300 177.948 -0.648 1
1 401 . 12 1 1 A 33 33 ILE CA C 33 65.900 65.267 0.633 1
1 402 . 12 1 1 A 33 33 ILE CB C 33 37.700 37.593 0.107 1
1 406 . 12 1 1 A 33 33 ILE N N 33 124.100 120.616 3.484 1
1 407 . 12 1 1 A 34 34 CYS H H 34 8.060 8.083 -0.023 1
1 408 . 12 1 1 A 34 34 CYS HA H 34 3.610 4.296 -0.686 1
1 411 . 12 1 1 A 34 34 CYS C C 34 175.800 175.579 0.221 1
1 412 . 12 1 1 A 34 34 CYS CA C 34 63.800 61.243 2.557 1
1 413 . 12 1 1 A 34 34 CYS CB C 34 26.400 26.705 -0.305 1
1 414 . 12 1 1 A 34 34 CYS N N 34 115.900 118.855 -2.955 1
1 415 . 12 1 1 A 35 35 SER H H 35 7.150 7.758 -0.608 1
1 416 . 12 1 1 A 35 35 SER HA H 35 4.260 4.423 -0.163 1
1 419 . 12 1 1 A 35 35 SER C C 35 175.500 176.014 -0.514 1
1 420 . 12 1 1 A 35 35 SER CA C 35 60.200 61.518 -1.318 1
1 421 . 12 1 1 A 35 35 SER CB C 35 63.600 63.608 -0.008 1
1 422 . 12 1 1 A 35 35 SER N N 35 113.600 117.246 -3.646 1
1 423 . 12 1 1 A 36 36 ILE H H 36 7.650 8.192 -0.542 1
1 424 . 12 1 1 A 36 36 ILE HA H 36 3.850 3.784 0.066 1
1 434 . 12 1 1 A 36 36 ILE C C 36 176.900 177.744 -0.844 1
1 435 . 12 1 1 A 36 36 ILE CA C 36 61.700 64.470 -2.770 1
1 436 . 12 1 1 A 36 36 ILE CB C 36 37.700 36.948 0.752 1
1 440 . 12 1 1 A 36 36 ILE N N 36 120.700 121.200 -0.500 1
1 441 . 12 1 1 A 37 37 ALA H H 37 8.200 8.549 -0.349 1
1 442 . 12 1 1 A 37 37 ALA HA H 37 3.860 3.968 -0.108 1
1 446 . 12 1 1 A 37 37 ALA CA C 37 57.400 57.176 0.224 1
1 447 . 12 1 1 A 37 37 ALA CB C 37 14.900 16.920 -2.020 1
1 448 . 12 1 1 A 37 37 ALA N N 37 122.200 123.190 -0.990 1
1 449 . 12 1 1 A 38 38 PRO HA H 38 4.470 4.347 0.123 1
1 456 . 12 1 1 A 38 38 PRO C C 38 178.800 178.894 -0.094 1
1 457 . 12 1 1 A 38 38 PRO CA C 38 65.600 65.086 0.514 1
1 458 . 12 1 1 A 38 38 PRO CB C 38 31.000 31.208 -0.208 1
1 461 . 12 1 1 A 39 39 LYS H H 39 7.680 7.887 -0.207 1
1 462 . 12 1 1 A 39 39 LYS HA H 39 4.150 4.080 0.070 1
1 471 . 12 1 1 A 39 39 LYS C C 39 177.800 179.062 -1.262 1
1 472 . 12 1 1 A 39 39 LYS CA C 39 58.000 59.503 -1.503 1
1 473 . 12 1 1 A 39 39 LYS CB C 39 31.800 32.223 -0.423 1
1 477 . 12 1 1 A 39 39 LYS N N 39 115.500 118.157 -2.657 1
1 478 . 12 1 1 A 40 40 ILE H H 40 7.540 7.935 -0.395 1
1 479 . 12 1 1 A 40 40 ILE HA H 40 4.130 3.931 0.199 1
1 489 . 12 1 1 A 40 40 ILE C C 40 176.500 176.252 0.248 1
1 490 . 12 1 1 A 40 40 ILE CA C 40 59.600 63.099 -3.499 1
1 491 . 12 1 1 A 40 40 ILE CB C 40 37.300 38.635 -1.335 1
1 495 . 12 1 1 A 40 40 ILE N N 40 117.500 117.422 0.078 1
1 496 . 12 1 1 A 41 41 GLY H H 41 8.430 8.365 0.065 1
1 497 . 12 1 1 A 41 41 GLY HA2 H 41 4.550 4.070 0.480 1
1 498 . 12 1 1 A 41 41 GLY HA3 H 41 3.790 4.086 -0.296 1
1 499 . 12 1 1 A 41 41 GLY C C 41 173.900 173.641 0.259 1
1 500 . 12 1 1 A 41 41 GLY CA C 41 44.900 45.957 -1.057 1
1 501 . 12 1 1 A 41 41 GLY N N 41 105.100 108.112 -3.012 1
1 502 . 12 1 1 A 42 42 CYS H H 42 7.360 7.802 -0.442 1
1 503 . 12 1 1 A 42 42 CYS HA H 42 5.220 5.046 0.174 1
1 506 . 12 1 1 A 42 42 CYS C C 42 173.100 172.885 0.215 1
1 507 . 12 1 1 A 42 42 CYS CA C 42 53.300 57.354 -4.054 1
1 508 . 12 1 1 A 42 42 CYS CB C 42 31.700 31.171 0.529 1
1 509 . 12 1 1 A 42 42 CYS N N 42 115.400 115.281 0.119 1
1 510 . 12 1 1 A 43 43 THR H H 43 8.550 8.418 0.132 1
1 511 . 12 1 1 A 43 43 THR HA H 43 4.560 4.890 -0.330 1
1 516 . 12 1 1 A 43 43 THR CA C 43 59.800 59.647 0.153 1
1 517 . 12 1 1 A 43 43 THR CB C 43 68.500 69.354 -0.854 1
1 519 . 12 1 1 A 43 43 THR N N 43 111.500 113.417 -1.917 1
1 520 . 12 1 1 A 44 44 PRO HA H 44 3.680 4.142 -0.462 1
1 527 . 12 1 1 A 44 44 PRO C C 44 177.300 177.702 -0.402 1
1 528 . 12 1 1 A 44 44 PRO CA C 44 65.200 65.657 -0.457 1
1 529 . 12 1 1 A 44 44 PRO CB C 44 32.400 31.807 0.593 1
1 532 . 12 1 1 A 45 45 GLU H H 45 8.900 8.252 0.648 1
1 533 . 12 1 1 A 45 45 GLU HA H 45 3.990 4.047 -0.057 1
1 538 . 12 1 1 A 45 45 GLU C C 45 179.000 179.183 -0.183 1
1 539 . 12 1 1 A 45 45 GLU CA C 45 61.300 59.399 1.901 1
1 540 . 12 1 1 A 45 45 GLU CB C 45 28.200 29.374 -1.174 1
1 542 . 12 1 1 A 45 45 GLU N N 45 117.100 118.103 -1.003 1
1 543 . 12 1 1 A 46 46 THR H H 46 7.680 7.457 0.223 1
1 544 . 12 1 1 A 46 46 THR HA H 46 3.560 3.605 -0.045 1
1 549 . 12 1 1 A 46 46 THR C C 46 173.800 175.731 -1.931 1
1 550 . 12 1 1 A 46 46 THR CA C 46 66.300 66.842 -0.542 1
1 551 . 12 1 1 A 46 46 THR CB C 46 68.000 67.560 0.440 1
1 553 . 12 1 1 A 46 46 THR N N 46 118.800 115.493 3.307 1
1 554 . 12 1 1 A 47 47 LEU H H 47 7.040 8.044 -1.004 1
1 555 . 12 1 1 A 47 47 LEU HA H 47 3.170 3.798 -0.628 1
1 565 . 12 1 1 A 47 47 LEU C C 47 177.500 178.301 -0.801 1
1 566 . 12 1 1 A 47 47 LEU CA C 47 56.800 57.933 -1.133 1
1 567 . 12 1 1 A 47 47 LEU CB C 47 40.500 41.678 -1.178 1
1 571 . 12 1 1 A 47 47 LEU N N 47 120.600 120.722 -0.122 1
1 572 . 12 1 1 A 48 48 ARG H H 48 8.430 8.013 0.417 1
1 573 . 12 1 1 A 48 48 ARG HA H 48 3.880 3.919 -0.039 1
1 580 . 12 1 1 A 48 48 ARG C C 48 177.400 178.633 -1.233 1
1 581 . 12 1 1 A 48 48 ARG CA C 48 60.200 58.834 1.366 1
1 582 . 12 1 1 A 48 48 ARG CB C 48 30.500 29.829 0.671 1
1 585 . 12 1 1 A 48 48 ARG N N 48 118.200 118.972 -0.772 1
1 586 . 12 1 1 A 49 49 VAL H H 49 7.400 7.596 -0.196 1
1 587 . 12 1 1 A 49 49 VAL HA H 49 3.630 3.579 0.051 1
1 595 . 12 1 1 A 49 49 VAL C C 49 178.900 178.166 0.734 1
1 596 . 12 1 1 A 49 49 VAL CA C 49 67.200 66.329 0.871 1
1 597 . 12 1 1 A 49 49 VAL CB C 49 30.700 31.429 -0.729 1
1 600 . 12 1 1 A 49 49 VAL N N 49 120.300 118.307 1.993 1
1 601 . 12 1 1 A 50 50 TRP H H 50 7.850 7.678 0.172 1
1 602 . 12 1 1 A 50 50 TRP HA H 50 4.740 4.366 0.374 1
1 611 . 12 1 1 A 50 50 TRP C C 50 180.400 178.997 1.403 1
1 612 . 12 1 1 A 50 50 TRP CA C 50 57.800 60.096 -2.296 1
1 613 . 12 1 1 A 50 50 TRP CB C 50 28.700 29.299 -0.599 1
1 619 . 12 1 1 A 50 50 TRP N N 50 120.300 119.627 0.673 1
1 621 . 12 1 1 A 51 51 VAL H H 51 8.820 8.258 0.562 1
1 622 . 12 1 1 A 51 51 VAL HA H 51 3.690 3.595 0.095 1
1 630 . 12 1 1 A 51 51 VAL C C 51 177.700 177.809 -0.109 1
1 631 . 12 1 1 A 51 51 VAL CA C 51 66.800 66.811 -0.011 1
1 632 . 12 1 1 A 51 51 VAL CB C 51 32.000 31.529 0.471 1
1 635 . 12 1 1 A 51 51 VAL N N 51 121.300 120.134 1.166 1
1 636 . 12 1 1 A 52 52 ARG H H 52 8.740 8.465 0.275 1
1 637 . 12 1 1 A 52 52 ARG HA H 52 4.260 4.172 0.088 1
1 644 . 12 1 1 A 52 52 ARG C C 52 179.500 178.995 0.505 1
1 645 . 12 1 1 A 52 52 ARG CA C 52 58.900 60.209 -1.309 1
1 646 . 12 1 1 A 52 52 ARG CB C 52 29.900 29.980 -0.080 1
1 649 . 12 1 1 A 52 52 ARG N N 52 120.200 118.422 1.778 1
1 650 . 12 1 1 A 53 53 GLN H H 53 8.540 8.203 0.337 1
1 651 . 12 1 1 A 53 53 GLN HA H 53 4.050 4.135 -0.085 1
1 658 . 12 1 1 A 53 53 GLN C C 53 177.600 178.801 -1.201 1
1 659 . 12 1 1 A 53 53 GLN CA C 53 58.700 58.963 -0.263 1
1 660 . 12 1 1 A 53 53 GLN CB C 53 28.100 28.441 -0.341 1
1 662 . 12 1 1 A 53 53 GLN N N 53 119.100 119.710 -0.610 1
1 664 . 12 1 1 A 54 54 HIS H H 54 8.010 8.658 -0.648 1
1 665 . 12 1 1 A 54 54 HIS HA H 54 4.410 4.185 0.225 1
1 668 . 12 1 1 A 54 54 HIS C C 54 177.800 177.605 0.195 1
1 669 . 12 1 1 A 54 54 HIS CA C 54 59.700 60.201 -0.501 1
1 670 . 12 1 1 A 54 54 HIS CB C 54 30.600 29.378 1.222 1
1 671 . 12 1 1 A 54 54 HIS N N 54 119.300 119.864 -0.564 1
1 672 . 12 1 1 A 55 55 GLU H H 55 8.460 8.417 0.043 1
1 673 . 12 1 1 A 55 55 GLU HA H 55 3.940 3.900 0.040 1
1 678 . 12 1 1 A 55 55 GLU C C 55 178.400 179.622 -1.222 1
1 679 . 12 1 1 A 55 55 GLU CA C 55 58.800 59.993 -1.193 1
1 680 . 12 1 1 A 55 55 GLU CB C 55 29.800 29.575 0.225 1
1 682 . 12 1 1 A 55 55 GLU N N 55 119.700 118.838 0.862 1
1 683 . 12 1 1 A 56 56 ARG H H 56 7.990 8.334 -0.344 1
1 684 . 12 1 1 A 56 56 ARG HA H 56 4.160 4.101 0.059 1
1 691 . 12 1 1 A 56 56 ARG C C 56 177.800 178.264 -0.464 1
1 692 . 12 1 1 A 56 56 ARG CA C 56 58.100 58.843 -0.743 1
1 693 . 12 1 1 A 56 56 ARG CB C 56 30.100 29.819 0.281 1
1 696 . 12 1 1 A 56 56 ARG N N 56 119.200 120.626 -1.426 1
1 697 . 12 1 1 A 57 57 ASP H H 57 8.300 8.276 0.024 1
1 698 . 12 1 1 A 57 57 ASP HA H 57 4.550 4.428 0.122 1
1 701 . 12 1 1 A 57 57 ASP C C 57 177.400 178.397 -0.997 1
1 702 . 12 1 1 A 57 57 ASP CA C 57 55.800 57.446 -1.646 1
1 703 . 12 1 1 A 57 57 ASP CB C 57 40.800 41.373 -0.573 1
1 704 . 12 1 1 A 57 57 ASP N N 57 120.000 119.778 0.222 1
1 705 . 12 1 1 A 58 58 THR H H 58 7.890 7.724 0.166 1
1 706 . 12 1 1 A 58 58 THR HA H 58 4.310 4.215 0.095 1
1 711 . 12 1 1 A 58 58 THR C C 58 175.500 175.003 0.497 1
1 712 . 12 1 1 A 58 58 THR CA C 58 62.200 66.369 -4.169 1
1 713 . 12 1 1 A 58 58 THR CB C 58 69.800 69.712 0.088 1
1 715 . 12 1 1 A 58 58 THR N N 58 111.300 112.629 -1.329 1
1 716 . 12 1 1 A 59 59 GLY H H 59 8.070 8.090 -0.020 1
1 717 . 12 1 1 A 59 59 GLY HA2 H 59 4.010 4.003 0.007 1
1 718 . 12 1 1 A 59 59 GLY HA3 H 59 4.010 4.006 0.004 1
1 719 . 12 1 1 A 59 59 GLY C C 59 174.700 173.568 1.132 1
1 720 . 12 1 1 A 59 59 GLY CA C 59 45.600 44.859 0.741 1
1 721 . 12 1 1 A 59 59 GLY N N 59 110.600 108.727 1.873 1
1 722 . 12 1 1 A 60 60 GLY H H 60 8.260 8.654 -0.394 1
1 723 . 12 1 1 A 60 60 GLY HA2 H 60 3.990 4.267 -0.277 1
1 724 . 12 1 1 A 60 60 GLY HA3 H 60 3.990 4.269 -0.279 1
1 725 . 12 1 1 A 60 60 GLY C C 60 173.900 171.888 2.012 1
1 726 . 12 1 1 A 60 60 GLY CA C 60 45.100 45.133 -0.033 1
1 727 . 12 1 1 A 60 60 GLY N N 60 108.700 110.099 -1.399 1
1 728 . 12 1 1 A 61 61 ASP H H 61 8.320 8.521 -0.201 1
1 729 . 12 1 1 A 61 61 ASP HA H 61 4.650 5.502 -0.852 1
1 732 . 12 1 1 A 61 61 ASP C C 61 176.200 173.927 2.273 1
1 733 . 12 1 1 A 61 61 ASP CA C 61 54.200 52.818 1.382 1
1 734 . 12 1 1 A 61 61 ASP CB C 61 41.300 44.330 -3.030 1
1 735 . 12 1 1 A 61 61 ASP N N 61 120.500 121.086 -0.586 1
1 736 . 12 1 1 A 62 62 ASP H H 62 8.400 8.866 -0.466 1
1 737 . 12 1 1 A 62 62 ASP HA H 62 4.600 5.040 -0.440 1
1 740 . 12 1 1 A 62 62 ASP C C 62 177.100 175.716 1.384 1
1 741 . 12 1 1 A 62 62 ASP CA C 62 54.200 53.052 1.148 1
1 742 . 12 1 1 A 62 62 ASP CB C 62 41.100 43.204 -2.104 1
1 743 . 12 1 1 A 62 62 ASP N N 62 121.100 125.267 -4.167 1
1 744 . 12 1 1 A 63 63 GLY H H 63 8.500 8.773 -0.273 1
1 745 . 12 1 1 A 63 63 GLY HA2 H 63 3.950 3.897 0.053 1
1 746 . 12 1 1 A 63 63 GLY HA3 H 63 3.950 3.897 0.053 1
1 747 . 12 1 1 A 63 63 GLY C C 63 175.000 175.428 -0.428 1
1 748 . 12 1 1 A 63 63 GLY CA C 63 45.700 46.675 -0.975 1
1 749 . 12 1 1 A 63 63 GLY N N 63 109.400 113.425 -4.025 1
1 750 . 12 1 1 A 64 64 GLY H H 64 8.360 8.112 0.248 1
1 751 . 12 1 1 A 64 64 GLY HA2 H 64 3.950 3.897 0.053 1
1 752 . 12 1 1 A 64 64 GLY HA3 H 64 3.950 3.897 0.053 1
1 753 . 12 1 1 A 64 64 GLY C C 64 174.300 172.240 2.060 1
1 754 . 12 1 1 A 64 64 GLY CA C 64 45.300 45.919 -0.619 1
1 755 . 12 1 1 A 64 64 GLY N N 64 108.700 107.890 0.810 1
1 756 . 12 1 1 A 65 65 LEU H H 65 8.020 8.447 -0.427 1
1 757 . 12 1 1 A 65 65 LEU HA H 65 4.460 4.850 -0.390 1
1 767 . 12 1 1 A 65 65 LEU C C 65 178.000 177.354 0.646 1
1 768 . 12 1 1 A 65 65 LEU CA C 65 55.200 53.412 1.788 1
1 769 . 12 1 1 A 65 65 LEU CB C 65 42.700 44.788 -2.088 1
1 773 . 12 1 1 A 65 65 LEU N N 65 121.300 126.208 -4.908 1
1 774 . 12 1 1 A 66 66 THR H H 66 8.470 9.110 -0.640 1
1 775 . 12 1 1 A 66 66 THR HA H 66 4.440 4.006 0.434 1
1 780 . 12 1 1 A 66 66 THR C C 66 175.200 174.552 0.648 1
1 781 . 12 1 1 A 66 66 THR CA C 66 61.600 65.481 -3.881 1
1 782 . 12 1 1 A 66 66 THR CB C 66 70.200 69.123 1.077 1
1 784 . 12 1 1 A 66 66 THR N N 66 114.300 119.872 -5.572 1
1 785 . 12 1 1 A 67 67 THR H H 67 8.370 8.087 0.283 1
1 786 . 12 1 1 A 67 67 THR HA H 67 4.110 4.235 -0.125 1
1 791 . 12 1 1 A 67 67 THR C C 67 175.300 174.800 0.500 1
1 792 . 12 1 1 A 67 67 THR CA C 67 63.900 62.856 1.044 1
1 793 . 12 1 1 A 67 67 THR CB C 67 69.100 66.467 2.633 1
1 795 . 12 1 1 A 67 67 THR N N 67 116.600 114.697 1.903 1
1 796 . 12 1 1 A 68 68 ALA H H 68 8.340 7.957 0.383 1
1 797 . 12 1 1 A 68 68 ALA HA H 68 4.220 4.190 0.030 1
1 801 . 12 1 1 A 68 68 ALA C C 68 179.100 179.414 -0.314 1
1 802 . 12 1 1 A 68 68 ALA CA C 68 53.800 54.469 -0.669 1
1 803 . 12 1 1 A 68 68 ALA CB C 68 18.700 18.417 0.283 1
1 804 . 12 1 1 A 68 68 ALA N N 68 124.500 124.967 -0.467 1
1 805 . 12 1 1 A 69 69 GLU H H 69 8.090 8.202 -0.112 1
1 806 . 12 1 1 A 69 69 GLU HA H 69 4.140 4.258 -0.118 1
1 811 . 12 1 1 A 69 69 GLU C C 69 177.800 176.592 1.208 1
1 812 . 12 1 1 A 69 69 GLU CA C 69 57.700 58.880 -1.180 1
1 813 . 12 1 1 A 69 69 GLU CB C 69 30.100 29.712 0.388 1
1 815 . 12 1 1 A 69 69 GLU N N 69 119.000 116.463 2.537 1
1 816 . 12 1 1 A 70 70 ARG H H 70 8.300 7.640 0.660 1
1 817 . 12 1 1 A 70 70 ARG HA H 70 4.140 4.416 -0.276 1
1 824 . 12 1 1 A 70 70 ARG C C 70 177.400 175.828 1.572 1
1 825 . 12 1 1 A 70 70 ARG CA C 70 57.500 56.821 0.679 1
1 826 . 12 1 1 A 70 70 ARG CB C 70 30.300 31.943 -1.643 1
1 829 . 12 1 1 A 70 70 ARG N N 70 120.400 115.575 4.825 1
1 830 . 12 1 1 A 71 71 GLN H H 71 8.200 7.713 0.487 1
1 831 . 12 1 1 A 71 71 GLN HA H 71 4.200 4.853 -0.653 1
1 838 . 12 1 1 A 71 71 GLN C C 71 176.600 174.795 1.805 1
1 839 . 12 1 1 A 71 71 GLN CA C 71 56.800 54.131 2.669 1
1 840 . 12 1 1 A 71 71 GLN CB C 71 28.900 33.583 -4.683 1
1 842 . 12 1 1 A 71 71 GLN N N 71 119.500 117.338 2.162 1
1 844 . 12 1 1 A 72 72 ARG H H 72 7.990 8.287 -0.297 1
1 845 . 12 1 1 A 72 72 ARG HA H 72 4.240 4.635 -0.395 1
1 847 . 12 1 1 A 72 72 ARG C C 72 176.600 175.960 0.640 1
1 848 . 12 1 1 A 72 72 ARG CA C 72 56.900 56.199 0.701 1
1 849 . 12 1 1 A 72 72 ARG CB C 72 30.500 30.649 -0.149 1
1 852 . 12 1 1 A 72 72 ARG N N 72 120.600 121.195 -0.595 1
1 853 . 12 1 1 A 73 73 LEU H H 73 7.980 8.326 -0.346 1
1 854 . 12 1 1 A 73 73 LEU HA H 73 4.280 4.771 -0.491 1
1 864 . 12 1 1 A 73 73 LEU C C 73 177.100 175.547 1.553 1
1 865 . 12 1 1 A 73 73 LEU CA C 73 55.300 53.286 2.014 1
1 866 . 12 1 1 A 73 73 LEU CB C 73 42.200 45.267 -3.067 1
1 870 . 12 1 1 A 73 73 LEU N N 73 121.400 120.637 0.763 1
1 871 . 12 1 1 A 74 74 LYS H H 74 8.050 8.702 -0.652 1
1 872 . 12 1 1 A 74 74 LYS HA H 74 4.300 3.804 0.496 1
1 881 . 12 1 1 A 74 74 LYS C C 74 176.100 174.785 1.315 1
1 882 . 12 1 1 A 74 74 LYS CA C 74 56.000 57.113 -1.113 1
1 883 . 12 1 1 A 74 74 LYS CB C 74 33.000 29.387 3.613 1
1 887 . 12 1 1 A 74 74 LYS N N 74 121.000 117.155 3.845 1
1 888 . 12 1 1 A 75 75 GLU H H 75 8.360 7.915 0.445 1
1 889 . 12 1 1 A 75 75 GLU HA H 75 4.550 4.830 -0.280 1
1 894 . 12 1 1 A 75 75 GLU CA C 75 54.400 53.469 0.931 1
1 895 . 12 1 1 A 75 75 GLU CB C 75 29.600 30.062 -0.462 1
1 897 . 12 1 1 A 75 75 GLU N N 75 123.800 118.755 5.045 1
1 898 . 12 1 1 A 76 76 PRO HA H 76 4.410 4.742 -0.332 1
1 905 . 12 1 1 A 76 76 PRO C C 76 177.000 176.255 0.745 1
1 906 . 12 1 1 A 76 76 PRO CA C 76 63.300 62.161 1.139 1
1 907 . 12 1 1 A 76 76 PRO CB C 76 32.000 33.172 -1.172 1
1 910 . 12 1 1 A 77 77 GLU H H 77 8.580 9.008 -0.428 1
1 911 . 12 1 1 A 77 77 GLU HA H 77 4.220 4.352 -0.132 1
1 916 . 12 1 1 A 77 77 GLU C C 77 176.700 176.896 -0.196 1
1 917 . 12 1 1 A 77 77 GLU CA C 77 56.800 59.219 -2.419 1
1 918 . 12 1 1 A 77 77 GLU CB C 77 29.900 30.920 -1.020 1
1 920 . 12 1 1 A 77 77 GLU N N 77 120.800 119.226 1.574 1
1 921 . 12 1 1 A 78 78 ARG H H 78 8.330 8.001 0.329 1
1 922 . 12 1 1 A 78 78 ARG HA H 78 4.270 4.549 -0.279 1
1 925 . 12 1 1 A 78 78 ARG C C 78 176.500 174.592 1.908 1
1 926 . 12 1 1 A 78 78 ARG CA C 78 56.700 54.799 1.901 1
1 927 . 12 1 1 A 78 78 ARG CB C 78 30.600 30.989 -0.389 1
1 930 . 12 1 1 A 78 78 ARG N N 78 122.000 118.688 3.312 1
1 931 . 12 1 1 A 79 79 GLU H H 79 8.020 8.336 -0.316 1
1 932 . 12 1 1 A 79 79 GLU HA H 79 4.230 4.721 -0.491 1
1 937 . 12 1 1 A 79 79 GLU C C 79 176.100 174.437 1.663 1
1 938 . 12 1 1 A 79 79 GLU CA C 79 56.500 55.400 1.100 1
1 939 . 12 1 1 A 79 79 GLU CB C 79 30.200 33.987 -3.787 1
1 941 . 12 1 1 A 79 79 GLU N N 79 121.900 123.563 -1.663 1
1 942 . 12 1 1 A 80 80 ASN H H 80 8.510 8.613 -0.103 1
1 943 . 12 1 1 A 80 80 ASN HA H 80 4.690 4.799 -0.109 1
1 948 . 12 1 1 A 80 80 ASN C C 80 175.400 173.829 1.571 1
1 949 . 12 1 1 A 80 80 ASN CA C 80 53.300 52.544 0.756 1
1 950 . 12 1 1 A 80 80 ASN CB C 80 38.500 36.969 1.531 1
1 951 . 12 1 1 A 80 80 ASN N N 80 120.000 122.395 -2.395 1
1 953 . 12 1 1 A 81 81 ARG H H 81 8.400 8.547 -0.147 1
1 954 . 12 1 1 A 81 81 ARG HA H 81 4.250 4.649 -0.399 1
1 961 . 12 1 1 A 81 81 ARG C C 81 175.600 175.052 0.548 1
1 962 . 12 1 1 A 81 81 ARG CA C 81 56.500 55.786 0.714 1
1 963 . 12 1 1 A 81 81 ARG CB C 81 30.800 30.657 0.143 1
1 966 . 12 1 1 A 81 81 ARG N N 81 121.900 125.851 -3.951 1
1 967 . 12 1 1 A 82 82 GLU H H 82 8.410 8.439 -0.029 1
1 968 . 12 1 1 A 82 82 GLU HA H 82 4.240 4.839 -0.599 1
1 973 . 12 1 1 A 82 82 GLU C C 82 176.400 175.557 0.843 1
1 974 . 12 1 1 A 82 82 GLU CA C 82 56.700 55.042 1.658 1
1 975 . 12 1 1 A 82 82 GLU CB C 82 29.900 30.923 -1.023 1
1 977 . 12 1 1 A 82 82 GLU N N 82 120.900 128.190 -7.290 1
1 978 . 12 1 1 A 83 83 LEU H H 83 8.120 8.625 -0.505 1
1 979 . 12 1 1 A 83 83 LEU HA H 83 4.310 4.452 -0.142 1
1 988 . 12 1 1 A 83 83 LEU C C 83 177.100 177.729 -0.629 1
1 989 . 12 1 1 A 83 83 LEU CA C 83 55.200 54.862 0.338 1
1 990 . 12 1 1 A 83 83 LEU CB C 83 42.100 44.001 -1.901 1
1 994 . 12 1 1 A 83 83 LEU N N 83 122.800 128.642 -5.842 1
1 995 . 12 1 1 A 84 84 ARG H H 84 8.260 8.973 -0.713 1
1 996 . 12 1 1 A 84 84 ARG HA H 84 4.340 3.898 0.442 1
1 999 . 12 1 1 A 84 84 ARG C C 84 176.000 175.868 0.132 1
1 1000 . 12 1 1 A 84 84 ARG CA C 84 55.900 59.989 -4.089 1
1 1001 . 12 1 1 A 84 84 ARG CB C 84 30.600 29.864 0.736 1
1 1004 . 12 1 1 A 84 84 ARG N N 84 121.800 125.857 -4.057 1
1 1005 . 12 1 1 A 85 85 ARG H H 85 8.390 7.771 0.619 1
1 1006 . 12 1 1 A 85 85 ARG HA H 85 4.390 3.965 0.425 1
1 1009 . 12 1 1 A 85 85 ARG C C 85 176.100 175.439 0.661 1
1 1010 . 12 1 1 A 85 85 ARG CA C 85 56.000 56.580 -0.580 1
1 1011 . 12 1 1 A 85 85 ARG CB C 85 31.000 28.705 2.295 1
1 1014 . 12 1 1 A 85 85 ARG N N 85 122.800 118.025 4.775 1
1 1015 . 12 1 1 A 86 86 SER H H 86 8.430 8.464 -0.034 1
1 1016 . 12 1 1 A 86 86 SER HA H 86 4.470 4.551 -0.081 1
1 1019 . 12 1 1 A 86 86 SER C C 86 173.300 173.814 -0.514 1
1 1020 . 12 1 1 A 86 86 SER CA C 86 58.200 57.590 0.610 1
1 1021 . 12 1 1 A 86 86 SER CB C 86 64.000 61.478 2.522 1
1 1022 . 12 1 1 A 86 86 SER N N 86 117.500 116.357 1.143 1
1 1023 . 12 1 1 A 87 87 ASN H H 87 8.120 7.881 0.239 1
1 1024 . 12 1 1 A 87 87 ASN HA H 87 4.470 5.049 -0.579 1
1 1029 . 12 1 1 A 87 87 ASN CA C 87 54.800 52.509 2.291 1
1 1030 . 12 1 1 A 87 87 ASN CB C 87 40.100 38.038 2.062 1
1 1031 . 12 1 1 A 87 87 ASN N N 87 125.900 120.061 5.839 1
1 1033 . 12 1 1 A 88 88 ASP HA H 88 4.640 4.836 -0.196 1
1 1036 . 12 1 1 A 88 88 ASP C C 88 175.700 176.923 -1.223 1
1 1037 . 12 1 1 A 88 88 ASP CA C 88 54.500 53.443 1.057 1
1 1038 . 12 1 1 A 88 88 ASP CB C 88 41.100 38.972 2.128 1
1 1039 . 12 1 1 A 89 89 ILE H H 89 8.000 7.899 0.101 1
1 1040 . 12 1 1 A 89 89 ILE HA H 89 4.160 4.308 -0.148 1
1 1050 . 12 1 1 A 89 89 ILE C C 89 175.200 176.279 -1.079 1
1 1051 . 12 1 1 A 89 89 ILE CA C 89 61.100 61.594 -0.494 1
1 1052 . 12 1 1 A 89 89 ILE CB C 89 38.500 37.817 0.683 1
1 1056 . 12 1 1 A 89 89 ILE N N 89 120.400 119.816 0.584 1
1 1057 . 12 1 1 A 90 90 LEU H H 90 7.880 7.370 0.510 1
1 1058 . 12 1 1 A 90 90 LEU HA H 90 4.190 4.208 -0.018 1
1 1067 . 12 1 1 A 90 90 LEU CA C 90 56.700 54.883 1.817 1
1 1068 . 12 1 1 A 90 90 LEU CB C 90 43.300 42.139 1.161 1
1 1072 . 12 1 1 A 90 90 LEU N N 90 131.900 124.684 7.216 1
1 1073 . 12 1 1 A 93 93 ALA HA H 93 4.370 4.585 -0.215 1
1 1077 . 12 1 1 A 93 93 ALA C C 93 176.600 177.147 -0.547 1
1 1078 . 12 1 1 A 93 93 ALA CA C 93 52.300 51.892 0.408 1
1 1079 . 12 1 1 A 93 93 ALA CB C 93 19.200 18.248 0.952 1
1 1080 . 12 1 1 A 94 94 SER H H 94 7.910 8.430 -0.520 1
1 1081 . 12 1 1 A 94 94 SER HA H 94 4.250 4.857 -0.607 1
1 1084 . 12 1 1 A 94 94 SER CA C 94 59.900 55.633 4.267 1
1 1085 . 12 1 1 A 94 94 SER CB C 94 64.700 65.730 -1.030 1
1 1 . 13 1 1 A 2 2 THR HA H 2 4.360 4.313 0.047 1
1 6 . 13 1 1 A 2 2 THR C C 2 174.300 174.446 -0.146 1
1 7 . 13 1 1 A 2 2 THR CA C 2 61.900 61.959 -0.059 1
1 8 . 13 1 1 A 2 2 THR CB C 2 69.900 66.763 3.137 1
1 10 . 13 1 1 A 3 3 LYS H H 3 8.520 8.339 0.181 1
1 11 . 13 1 1 A 3 3 LYS HA H 3 4.320 4.610 -0.290 1
1 20 . 13 1 1 A 3 3 LYS C C 3 176.100 176.038 0.062 1
1 21 . 13 1 1 A 3 3 LYS CA C 3 56.400 55.612 0.788 1
1 22 . 13 1 1 A 3 3 LYS CB C 3 33.000 32.949 0.051 1
1 26 . 13 1 1 A 3 3 LYS N N 3 124.100 125.210 -1.110 1
1 27 . 13 1 1 A 4 4 ASN H H 4 8.560 7.731 0.829 1
1 28 . 13 1 1 A 4 4 ASN HA H 4 4.760 5.109 -0.349 1
1 33 . 13 1 1 A 4 4 ASN C C 4 175.200 174.637 0.563 1
1 34 . 13 1 1 A 4 4 ASN CA C 4 53.300 52.222 1.078 1
1 35 . 13 1 1 A 4 4 ASN CB C 4 38.900 41.104 -2.204 1
1 36 . 13 1 1 A 4 4 ASN N N 4 120.200 120.293 -0.093 1
1 38 . 13 1 1 A 5 5 THR H H 5 8.130 8.565 -0.435 1
1 39 . 13 1 1 A 5 5 THR HA H 5 4.310 4.353 -0.043 1
1 44 . 13 1 1 A 5 5 THR C C 5 173.900 174.417 -0.517 1
1 45 . 13 1 1 A 5 5 THR CA C 5 61.800 61.715 0.085 1
1 46 . 13 1 1 A 5 5 THR CB C 5 69.500 69.796 -0.296 1
1 48 . 13 1 1 A 5 5 THR N N 5 114.900 115.893 -0.993 1
1 49 . 13 1 1 A 6 6 ARG H H 6 8.160 8.687 -0.527 1
1 50 . 13 1 1 A 6 6 ARG HA H 6 4.300 4.984 -0.684 1
1 57 . 13 1 1 A 6 6 ARG C C 6 176.300 173.812 2.488 1
1 58 . 13 1 1 A 6 6 ARG CA C 6 56.300 54.312 1.988 1
1 59 . 13 1 1 A 6 6 ARG CB C 6 30.700 33.866 -3.166 1
1 62 . 13 1 1 A 6 6 ARG N N 6 123.600 120.751 2.849 1
1 63 . 13 1 1 A 7 7 PHE H H 7 8.460 9.310 -0.850 1
1 64 . 13 1 1 A 7 7 PHE HA H 7 4.760 5.005 -0.245 1
1 72 . 13 1 1 A 7 7 PHE C C 7 175.000 175.896 -0.896 1
1 73 . 13 1 1 A 7 7 PHE CA C 7 56.700 56.588 0.112 1
1 74 . 13 1 1 A 7 7 PHE CB C 7 40.300 41.138 -0.838 1
1 80 . 13 1 1 A 7 7 PHE N N 7 121.500 120.632 0.868 1
1 81 . 13 1 1 A 8 8 SER H H 8 8.520 8.922 -0.402 1
1 82 . 13 1 1 A 8 8 SER HA H 8 4.600 4.599 0.001 1
1 85 . 13 1 1 A 8 8 SER CA C 8 56.700 57.495 -0.795 1
1 86 . 13 1 1 A 8 8 SER CB C 8 62.600 62.346 0.254 1
1 87 . 13 1 1 A 8 8 SER N N 8 121.500 120.216 1.284 1
1 88 . 13 1 1 A 9 9 PRO HA H 9 3.920 4.328 -0.408 1
1 95 . 13 1 1 A 9 9 PRO C C 9 178.500 178.129 0.371 1
1 96 . 13 1 1 A 9 9 PRO CA C 9 65.800 65.729 0.071 1
1 97 . 13 1 1 A 9 9 PRO CB C 9 31.500 31.569 -0.069 1
1 100 . 13 1 1 A 10 10 GLU H H 10 8.610 8.190 0.420 1
1 101 . 13 1 1 A 10 10 GLU HA H 10 3.990 4.099 -0.109 1
1 106 . 13 1 1 A 10 10 GLU C C 10 179.100 179.297 -0.197 1
1 107 . 13 1 1 A 10 10 GLU CA C 10 60.000 59.421 0.579 1
1 108 . 13 1 1 A 10 10 GLU CB C 10 28.800 29.226 -0.426 1
1 110 . 13 1 1 A 10 10 GLU N N 10 116.600 118.126 -1.526 1
1 111 . 13 1 1 A 11 11 VAL H H 11 7.510 7.953 -0.443 1
1 112 . 13 1 1 A 11 11 VAL HA H 11 3.610 3.475 0.135 1
1 120 . 13 1 1 A 11 11 VAL C C 11 177.700 177.889 -0.189 1
1 121 . 13 1 1 A 11 11 VAL CA C 11 66.400 66.650 -0.250 1
1 122 . 13 1 1 A 11 11 VAL CB C 11 31.600 31.570 0.030 1
1 125 . 13 1 1 A 11 11 VAL N N 11 122.700 120.681 2.019 1
1 126 . 13 1 1 A 12 12 ARG H H 12 7.800 8.104 -0.304 1
1 127 . 13 1 1 A 12 12 ARG HA H 12 3.440 3.358 0.082 1
1 135 . 13 1 1 A 12 12 ARG C C 12 178.000 178.555 -0.555 1
1 136 . 13 1 1 A 12 12 ARG CA C 12 59.300 59.335 -0.035 1
1 137 . 13 1 1 A 12 12 ARG CB C 12 29.600 29.108 0.492 1
1 140 . 13 1 1 A 12 12 ARG N N 12 118.700 119.716 -1.016 1
1 142 . 13 1 1 A 13 13 GLN H H 13 8.050 7.866 0.184 1
1 143 . 13 1 1 A 13 13 GLN HA H 13 3.860 3.969 -0.109 1
1 150 . 13 1 1 A 13 13 GLN C C 13 178.800 178.310 0.490 1
1 151 . 13 1 1 A 13 13 GLN CA C 13 58.600 59.130 -0.530 1
1 152 . 13 1 1 A 13 13 GLN CB C 13 28.300 28.310 -0.010 1
1 154 . 13 1 1 A 13 13 GLN N N 13 116.100 118.126 -2.026 1
1 156 . 13 1 1 A 14 14 ARG H H 14 7.750 7.899 -0.149 1
1 157 . 13 1 1 A 14 14 ARG HA H 14 3.970 3.938 0.032 1
1 164 . 13 1 1 A 14 14 ARG C C 14 177.900 178.039 -0.139 1
1 165 . 13 1 1 A 14 14 ARG CA C 14 59.100 59.134 -0.034 1
1 166 . 13 1 1 A 14 14 ARG CB C 14 30.000 29.967 0.033 1
1 169 . 13 1 1 A 14 14 ARG N N 14 120.400 120.546 -0.146 1
1 170 . 13 1 1 A 15 15 ALA H H 15 8.500 7.866 0.634 1
1 171 . 13 1 1 A 15 15 ALA HA H 15 4.040 3.976 0.064 1
1 175 . 13 1 1 A 15 15 ALA C C 15 178.800 179.744 -0.944 1
1 176 . 13 1 1 A 15 15 ALA CA C 15 55.300 55.033 0.267 1
1 177 . 13 1 1 A 15 15 ALA CB C 15 19.700 18.534 1.166 1
1 178 . 13 1 1 A 15 15 ALA N N 15 122.200 122.093 0.107 1
1 179 . 13 1 1 A 16 16 VAL H H 16 8.230 7.768 0.462 1
1 180 . 13 1 1 A 16 16 VAL HA H 16 3.360 3.304 0.056 1
1 188 . 13 1 1 A 16 16 VAL C C 16 177.700 177.806 -0.106 1
1 189 . 13 1 1 A 16 16 VAL CA C 16 67.100 66.844 0.256 1
1 190 . 13 1 1 A 16 16 VAL CB C 16 31.600 31.219 0.381 1
1 193 . 13 1 1 A 16 16 VAL N N 16 116.500 117.818 -1.318 1
1 194 . 13 1 1 A 17 17 ARG H H 17 7.900 8.113 -0.213 1
1 195 . 13 1 1 A 17 17 ARG HA H 17 3.830 3.793 0.037 1
1 202 . 13 1 1 A 17 17 ARG C C 17 178.000 178.604 -0.604 1
1 203 . 13 1 1 A 17 17 ARG CA C 17 59.700 59.761 -0.061 1
1 204 . 13 1 1 A 17 17 ARG CB C 17 29.200 29.983 -0.783 1
1 207 . 13 1 1 A 17 17 ARG N N 17 119.000 120.034 -1.034 1
1 208 . 13 1 1 A 18 18 MET H H 18 8.210 8.322 -0.112 1
1 209 . 13 1 1 A 18 18 MET HA H 18 4.090 4.132 -0.042 1
1 217 . 13 1 1 A 18 18 MET C C 18 179.400 178.720 0.680 1
1 218 . 13 1 1 A 18 18 MET CA C 18 59.500 58.347 1.153 1
1 219 . 13 1 1 A 18 18 MET CB C 18 33.600 32.492 1.108 1
1 222 . 13 1 1 A 18 18 MET N N 18 117.300 118.484 -1.184 1
1 223 . 13 1 1 A 19 19 VAL H H 19 7.790 7.815 -0.025 1
1 224 . 13 1 1 A 19 19 VAL HA H 19 3.390 3.581 -0.191 1
1 232 . 13 1 1 A 19 19 VAL C C 19 177.200 178.087 -0.887 1
1 233 . 13 1 1 A 19 19 VAL CA C 19 66.100 66.972 -0.872 1
1 234 . 13 1 1 A 19 19 VAL CB C 19 31.600 31.316 0.284 1
1 237 . 13 1 1 A 19 19 VAL N N 19 119.900 119.572 0.328 1
1 238 . 13 1 1 A 20 20 LEU H H 20 8.280 8.134 0.146 1
1 239 . 13 1 1 A 20 20 LEU HA H 20 4.070 3.878 0.192 1
1 249 . 13 1 1 A 20 20 LEU C C 20 180.600 179.366 1.234 1
1 250 . 13 1 1 A 20 20 LEU CA C 20 57.900 58.060 -0.160 1
1 251 . 13 1 1 A 20 20 LEU CB C 20 40.800 40.838 -0.038 1
1 255 . 13 1 1 A 20 20 LEU N N 20 118.400 119.115 -0.715 1
1 256 . 13 1 1 A 21 21 GLU H H 21 8.690 8.861 -0.171 1
1 257 . 13 1 1 A 21 21 GLU HA H 21 4.230 4.025 0.205 1
1 262 . 13 1 1 A 21 21 GLU C C 21 178.200 179.180 -0.980 1
1 263 . 13 1 1 A 21 21 GLU CA C 21 57.900 59.462 -1.562 1
1 264 . 13 1 1 A 21 21 GLU CB C 21 29.700 29.376 0.324 1
1 266 . 13 1 1 A 21 21 GLU N N 21 115.900 120.692 -4.792 1
1 267 . 13 1 1 A 22 22 SER H H 22 7.580 8.548 -0.968 1
1 268 . 13 1 1 A 22 22 SER HA H 22 4.790 4.319 0.471 1
1 271 . 13 1 1 A 22 22 SER C C 22 175.200 176.032 -0.832 1
1 272 . 13 1 1 A 22 22 SER CA C 22 59.500 61.622 -2.122 1
1 273 . 13 1 1 A 22 22 SER CB C 22 64.500 62.828 1.672 1
1 274 . 13 1 1 A 22 22 SER N N 22 113.000 117.075 -4.075 1
1 275 . 13 1 1 A 23 23 GLN H H 23 7.780 8.159 -0.379 1
1 276 . 13 1 1 A 23 23 GLN HA H 23 4.800 3.987 0.813 1
1 283 . 13 1 1 A 23 23 GLN C C 23 177.100 178.356 -1.256 1
1 284 . 13 1 1 A 23 23 GLN CA C 23 57.800 59.473 -1.673 1
1 285 . 13 1 1 A 23 23 GLN CB C 23 28.100 27.986 0.114 1
1 287 . 13 1 1 A 23 23 GLN N N 23 119.900 121.894 -1.994 1
1 289 . 13 1 1 A 24 24 GLY H H 24 8.680 7.975 0.705 1
1 290 . 13 1 1 A 24 24 GLY HA2 H 24 3.860 3.903 -0.043 1
1 291 . 13 1 1 A 24 24 GLY HA3 H 24 4.110 3.905 0.205 1
1 292 . 13 1 1 A 24 24 GLY C C 24 175.100 174.888 0.212 1
1 293 . 13 1 1 A 24 24 GLY CA C 24 45.900 46.443 -0.543 1
1 294 . 13 1 1 A 24 24 GLY N N 24 108.500 107.059 1.441 1
1 295 . 13 1 1 A 25 25 GLU H H 25 8.110 7.850 0.260 1
1 296 . 13 1 1 A 25 25 GLU HA H 25 4.210 4.395 -0.185 1
1 301 . 13 1 1 A 25 25 GLU C C 25 175.400 176.151 -0.751 1
1 302 . 13 1 1 A 25 25 GLU CA C 25 56.100 56.715 -0.615 1
1 303 . 13 1 1 A 25 25 GLU CB C 25 29.700 30.792 -1.092 1
1 305 . 13 1 1 A 25 25 GLU N N 25 118.200 118.672 -0.472 1
1 306 . 13 1 1 A 26 26 TYR H H 26 7.690 8.085 -0.395 1
1 307 . 13 1 1 A 26 26 TYR HA H 26 4.690 4.851 -0.161 1
1 314 . 13 1 1 A 26 26 TYR C C 26 175.800 175.399 0.401 1
1 315 . 13 1 1 A 26 26 TYR CA C 26 57.000 57.374 -0.374 1
1 316 . 13 1 1 A 26 26 TYR CB C 26 42.200 40.802 1.398 1
1 321 . 13 1 1 A 26 26 TYR N N 26 117.700 119.014 -1.314 1
1 322 . 13 1 1 A 27 27 ASP H H 27 8.850 8.960 -0.110 1
1 323 . 13 1 1 A 27 27 ASP HA H 27 4.520 4.938 -0.418 1
1 326 . 13 1 1 A 27 27 ASP C C 27 175.900 176.226 -0.326 1
1 327 . 13 1 1 A 27 27 ASP CA C 27 55.400 55.273 0.127 1
1 328 . 13 1 1 A 27 27 ASP CB C 27 41.200 43.516 -2.316 1
1 329 . 13 1 1 A 27 27 ASP N N 27 117.500 120.361 -2.861 1
1 330 . 13 1 1 A 28 28 SER H H 28 7.550 7.923 -0.373 1
1 331 . 13 1 1 A 28 28 SER HA H 28 4.740 4.772 -0.032 1
1 334 . 13 1 1 A 28 28 SER CA C 28 57.200 56.139 1.061 1
1 335 . 13 1 1 A 28 28 SER CB C 28 65.800 64.736 1.064 1
1 336 . 13 1 1 A 28 28 SER N N 28 109.000 112.750 -3.750 1
1 337 . 13 1 1 A 29 29 GLN HA H 29 3.950 3.966 -0.016 1
1 344 . 13 1 1 A 29 29 GLN C C 29 178.100 177.850 0.250 1
1 345 . 13 1 1 A 29 29 GLN CA C 29 60.200 58.057 2.143 1
1 346 . 13 1 1 A 29 29 GLN CB C 29 29.900 27.766 2.134 1
1 349 . 13 1 1 A 30 30 TRP H H 30 9.010 7.519 1.491 1
1 350 . 13 1 1 A 30 30 TRP HA H 30 4.720 4.318 0.402 1
1 359 . 13 1 1 A 30 30 TRP C C 30 177.100 178.759 -1.659 1
1 360 . 13 1 1 A 30 30 TRP CA C 30 59.300 59.674 -0.374 1
1 361 . 13 1 1 A 30 30 TRP CB C 30 30.000 28.605 1.395 1
1 367 . 13 1 1 A 30 30 TRP N N 30 121.400 120.003 1.397 1
1 369 . 13 1 1 A 31 31 ALA H H 31 8.360 7.991 0.369 1
1 370 . 13 1 1 A 31 31 ALA HA H 31 3.790 4.161 -0.371 1
1 374 . 13 1 1 A 31 31 ALA C C 31 180.300 178.824 1.476 1
1 375 . 13 1 1 A 31 31 ALA CA C 31 55.300 54.694 0.606 1
1 376 . 13 1 1 A 31 31 ALA CB C 31 18.200 18.325 -0.125 1
1 377 . 13 1 1 A 31 31 ALA N N 31 121.600 122.501 -0.901 1
1 378 . 13 1 1 A 32 32 THR H H 32 7.420 7.615 -0.195 1
1 379 . 13 1 1 A 32 32 THR HA H 32 2.620 3.891 -1.271 1
1 384 . 13 1 1 A 32 32 THR C C 32 176.700 176.474 0.226 1
1 385 . 13 1 1 A 32 32 THR CA C 32 66.200 64.271 1.929 1
1 386 . 13 1 1 A 32 32 THR CB C 32 67.800 68.792 -0.992 1
1 388 . 13 1 1 A 32 32 THR N N 32 115.700 110.950 4.750 1
1 389 . 13 1 1 A 33 33 ILE H H 33 8.490 8.379 0.111 1
1 390 . 13 1 1 A 33 33 ILE HA H 33 3.180 3.601 -0.421 1
1 400 . 13 1 1 A 33 33 ILE C C 33 177.300 178.174 -0.874 1
1 401 . 13 1 1 A 33 33 ILE CA C 33 65.900 65.198 0.702 1
1 402 . 13 1 1 A 33 33 ILE CB C 33 37.700 37.728 -0.028 1
1 406 . 13 1 1 A 33 33 ILE N N 33 124.100 122.848 1.252 1
1 407 . 13 1 1 A 34 34 CYS H H 34 8.060 7.897 0.163 1
1 408 . 13 1 1 A 34 34 CYS HA H 34 3.610 4.325 -0.715 1
1 411 . 13 1 1 A 34 34 CYS C C 34 175.800 176.157 -0.357 1
1 412 . 13 1 1 A 34 34 CYS CA C 34 63.800 60.885 2.915 1
1 413 . 13 1 1 A 34 34 CYS CB C 34 26.400 27.038 -0.638 1
1 414 . 13 1 1 A 34 34 CYS N N 34 115.900 118.707 -2.807 1
1 415 . 13 1 1 A 35 35 SER H H 35 7.150 7.876 -0.726 1
1 416 . 13 1 1 A 35 35 SER HA H 35 4.260 4.449 -0.189 1
1 419 . 13 1 1 A 35 35 SER C C 35 175.500 175.640 -0.140 1
1 420 . 13 1 1 A 35 35 SER CA C 35 60.200 60.080 0.120 1
1 421 . 13 1 1 A 35 35 SER CB C 35 63.600 63.514 0.086 1
1 422 . 13 1 1 A 35 35 SER N N 35 113.600 115.233 -1.633 1
1 423 . 13 1 1 A 36 36 ILE H H 36 7.650 7.505 0.145 1
1 424 . 13 1 1 A 36 36 ILE HA H 36 3.850 4.008 -0.158 1
1 434 . 13 1 1 A 36 36 ILE C C 36 176.900 177.597 -0.697 1
1 435 . 13 1 1 A 36 36 ILE CA C 36 61.700 63.704 -2.004 1
1 436 . 13 1 1 A 36 36 ILE CB C 36 37.700 38.548 -0.848 1
1 440 . 13 1 1 A 36 36 ILE N N 36 120.700 118.847 1.853 1
1 441 . 13 1 1 A 37 37 ALA H H 37 8.200 8.961 -0.761 1
1 442 . 13 1 1 A 37 37 ALA HA H 37 3.860 3.974 -0.114 1
1 446 . 13 1 1 A 37 37 ALA CA C 37 57.400 57.227 0.173 1
1 447 . 13 1 1 A 37 37 ALA CB C 37 14.900 16.817 -1.917 1
1 448 . 13 1 1 A 37 37 ALA N N 37 122.200 123.938 -1.738 1
1 449 . 13 1 1 A 38 38 PRO HA H 38 4.470 4.353 0.117 1
1 456 . 13 1 1 A 38 38 PRO C C 38 178.800 178.753 0.047 1
1 457 . 13 1 1 A 38 38 PRO CA C 38 65.600 64.962 0.638 1
1 458 . 13 1 1 A 38 38 PRO CB C 38 31.000 31.126 -0.126 1
1 461 . 13 1 1 A 39 39 LYS H H 39 7.680 7.736 -0.056 1
1 462 . 13 1 1 A 39 39 LYS HA H 39 4.150 4.106 0.044 1
1 471 . 13 1 1 A 39 39 LYS C C 39 177.800 179.116 -1.316 1
1 472 . 13 1 1 A 39 39 LYS CA C 39 58.000 59.399 -1.399 1
1 473 . 13 1 1 A 39 39 LYS CB C 39 31.800 31.783 0.017 1
1 477 . 13 1 1 A 39 39 LYS N N 39 115.500 118.014 -2.514 1
1 478 . 13 1 1 A 40 40 ILE H H 40 7.540 7.518 0.022 1
1 479 . 13 1 1 A 40 40 ILE HA H 40 4.130 4.054 0.076 1
1 489 . 13 1 1 A 40 40 ILE C C 40 176.500 176.402 0.098 1
1 490 . 13 1 1 A 40 40 ILE CA C 40 59.600 63.032 -3.432 1
1 491 . 13 1 1 A 40 40 ILE CB C 40 37.300 38.545 -1.245 1
1 495 . 13 1 1 A 40 40 ILE N N 40 117.500 117.066 0.434 1
1 496 . 13 1 1 A 41 41 GLY H H 41 8.430 8.534 -0.104 1
1 497 . 13 1 1 A 41 41 GLY HA2 H 41 4.550 4.110 0.440 1
1 498 . 13 1 1 A 41 41 GLY HA3 H 41 3.790 4.183 -0.393 1
1 499 . 13 1 1 A 41 41 GLY C C 41 173.900 174.359 -0.459 1
1 500 . 13 1 1 A 41 41 GLY CA C 41 44.900 45.189 -0.289 1
1 501 . 13 1 1 A 41 41 GLY N N 41 105.100 108.331 -3.231 1
1 502 . 13 1 1 A 42 42 CYS H H 42 7.360 7.734 -0.374 1
1 503 . 13 1 1 A 42 42 CYS HA H 42 5.220 5.054 0.166 1
1 506 . 13 1 1 A 42 42 CYS C C 42 173.100 173.914 -0.814 1
1 507 . 13 1 1 A 42 42 CYS CA C 42 53.300 56.978 -3.678 1
1 508 . 13 1 1 A 42 42 CYS CB C 42 31.700 30.977 0.723 1
1 509 . 13 1 1 A 42 42 CYS N N 42 115.400 118.472 -3.072 1
1 510 . 13 1 1 A 43 43 THR H H 43 8.550 8.821 -0.271 1
1 511 . 13 1 1 A 43 43 THR HA H 43 4.560 4.774 -0.214 1
1 516 . 13 1 1 A 43 43 THR CA C 43 59.800 60.217 -0.417 1
1 517 . 13 1 1 A 43 43 THR CB C 43 68.500 68.980 -0.480 1
1 519 . 13 1 1 A 43 43 THR N N 43 111.500 113.934 -2.434 1
1 520 . 13 1 1 A 44 44 PRO HA H 44 3.680 4.148 -0.468 1
1 527 . 13 1 1 A 44 44 PRO C C 44 177.300 179.156 -1.856 1
1 528 . 13 1 1 A 44 44 PRO CA C 44 65.200 65.636 -0.436 1
1 529 . 13 1 1 A 44 44 PRO CB C 44 32.400 31.763 0.637 1
1 532 . 13 1 1 A 45 45 GLU H H 45 8.900 8.312 0.588 1
1 533 . 13 1 1 A 45 45 GLU HA H 45 3.990 4.056 -0.066 1
1 538 . 13 1 1 A 45 45 GLU C C 45 179.000 179.447 -0.447 1
1 539 . 13 1 1 A 45 45 GLU CA C 45 61.300 59.687 1.613 1
1 540 . 13 1 1 A 45 45 GLU CB C 45 28.200 29.271 -1.071 1
1 542 . 13 1 1 A 45 45 GLU N N 45 117.100 117.979 -0.879 1
1 543 . 13 1 1 A 46 46 THR H H 46 7.680 7.933 -0.253 1
1 544 . 13 1 1 A 46 46 THR HA H 46 3.560 3.752 -0.192 1
1 549 . 13 1 1 A 46 46 THR C C 46 173.800 175.756 -1.956 1
1 550 . 13 1 1 A 46 46 THR CA C 46 66.300 66.527 -0.227 1
1 551 . 13 1 1 A 46 46 THR CB C 46 68.000 67.317 0.683 1
1 553 . 13 1 1 A 46 46 THR N N 46 118.800 117.756 1.044 1
1 554 . 13 1 1 A 47 47 LEU H H 47 7.040 7.986 -0.946 1
1 555 . 13 1 1 A 47 47 LEU HA H 47 3.170 3.706 -0.536 1
1 565 . 13 1 1 A 47 47 LEU C C 47 177.500 178.386 -0.886 1
1 566 . 13 1 1 A 47 47 LEU CA C 47 56.800 57.991 -1.191 1
1 567 . 13 1 1 A 47 47 LEU CB C 47 40.500 41.432 -0.932 1
1 571 . 13 1 1 A 47 47 LEU N N 47 120.600 121.459 -0.859 1
1 572 . 13 1 1 A 48 48 ARG H H 48 8.430 7.835 0.595 1
1 573 . 13 1 1 A 48 48 ARG HA H 48 3.880 3.957 -0.077 1
1 580 . 13 1 1 A 48 48 ARG C C 48 177.400 178.631 -1.231 1
1 581 . 13 1 1 A 48 48 ARG CA C 48 60.200 58.786 1.414 1
1 582 . 13 1 1 A 48 48 ARG CB C 48 30.500 29.671 0.829 1
1 585 . 13 1 1 A 48 48 ARG N N 48 118.200 119.021 -0.821 1
1 586 . 13 1 1 A 49 49 VAL H H 49 7.400 7.699 -0.299 1
1 587 . 13 1 1 A 49 49 VAL HA H 49 3.630 3.658 -0.028 1
1 595 . 13 1 1 A 49 49 VAL C C 49 178.900 178.078 0.822 1
1 596 . 13 1 1 A 49 49 VAL CA C 49 67.200 66.263 0.937 1
1 597 . 13 1 1 A 49 49 VAL CB C 49 30.700 31.361 -0.661 1
1 600 . 13 1 1 A 49 49 VAL N N 49 120.300 118.424 1.876 1
1 601 . 13 1 1 A 50 50 TRP H H 50 7.850 7.924 -0.074 1
1 602 . 13 1 1 A 50 50 TRP HA H 50 4.740 4.509 0.231 1
1 611 . 13 1 1 A 50 50 TRP C C 50 180.400 179.089 1.311 1
1 612 . 13 1 1 A 50 50 TRP CA C 50 57.800 60.099 -2.299 1
1 613 . 13 1 1 A 50 50 TRP CB C 50 28.700 29.206 -0.506 1
1 619 . 13 1 1 A 50 50 TRP N N 50 120.300 120.061 0.239 1
1 621 . 13 1 1 A 51 51 VAL H H 51 8.820 8.202 0.618 1
1 622 . 13 1 1 A 51 51 VAL HA H 51 3.690 3.695 -0.005 1
1 630 . 13 1 1 A 51 51 VAL C C 51 177.700 177.961 -0.261 1
1 631 . 13 1 1 A 51 51 VAL CA C 51 66.800 66.730 0.070 1
1 632 . 13 1 1 A 51 51 VAL CB C 51 32.000 31.403 0.597 1
1 635 . 13 1 1 A 51 51 VAL N N 51 121.300 120.008 1.292 1
1 636 . 13 1 1 A 52 52 ARG H H 52 8.740 8.783 -0.043 1
1 637 . 13 1 1 A 52 52 ARG HA H 52 4.260 3.944 0.316 1
1 644 . 13 1 1 A 52 52 ARG C C 52 179.500 179.063 0.437 1
1 645 . 13 1 1 A 52 52 ARG CA C 52 58.900 60.368 -1.468 1
1 646 . 13 1 1 A 52 52 ARG CB C 52 29.900 30.015 -0.115 1
1 649 . 13 1 1 A 52 52 ARG N N 52 120.200 119.448 0.752 1
1 650 . 13 1 1 A 53 53 GLN H H 53 8.540 8.401 0.139 1
1 651 . 13 1 1 A 53 53 GLN HA H 53 4.050 4.111 -0.061 1
1 658 . 13 1 1 A 53 53 GLN C C 53 177.600 178.254 -0.654 1
1 659 . 13 1 1 A 53 53 GLN CA C 53 58.700 58.638 0.062 1
1 660 . 13 1 1 A 53 53 GLN CB C 53 28.100 29.367 -1.267 1
1 662 . 13 1 1 A 53 53 GLN N N 53 119.100 119.364 -0.264 1
1 664 . 13 1 1 A 54 54 HIS H H 54 8.010 7.550 0.460 1
1 665 . 13 1 1 A 54 54 HIS HA H 54 4.410 4.436 -0.026 1
1 668 . 13 1 1 A 54 54 HIS C C 54 177.800 177.918 -0.118 1
1 669 . 13 1 1 A 54 54 HIS CA C 54 59.700 59.410 0.290 1
1 670 . 13 1 1 A 54 54 HIS CB C 54 30.600 30.289 0.311 1
1 671 . 13 1 1 A 54 54 HIS N N 54 119.300 118.135 1.165 1
1 672 . 13 1 1 A 55 55 GLU H H 55 8.460 8.315 0.145 1
1 673 . 13 1 1 A 55 55 GLU HA H 55 3.940 3.896 0.044 1
1 678 . 13 1 1 A 55 55 GLU C C 55 178.400 179.553 -1.153 1
1 679 . 13 1 1 A 55 55 GLU CA C 55 58.800 59.990 -1.190 1
1 680 . 13 1 1 A 55 55 GLU CB C 55 29.800 29.422 0.378 1
1 682 . 13 1 1 A 55 55 GLU N N 55 119.700 120.476 -0.776 1
1 683 . 13 1 1 A 56 56 ARG H H 56 7.990 8.308 -0.318 1
1 684 . 13 1 1 A 56 56 ARG HA H 56 4.160 4.106 0.054 1
1 691 . 13 1 1 A 56 56 ARG C C 56 177.800 178.051 -0.251 1
1 692 . 13 1 1 A 56 56 ARG CA C 56 58.100 58.834 -0.734 1
1 693 . 13 1 1 A 56 56 ARG CB C 56 30.100 29.808 0.292 1
1 696 . 13 1 1 A 56 56 ARG N N 56 119.200 120.617 -1.417 1
1 697 . 13 1 1 A 57 57 ASP H H 57 8.300 8.198 0.102 1
1 698 . 13 1 1 A 57 57 ASP HA H 57 4.550 4.342 0.208 1
1 701 . 13 1 1 A 57 57 ASP C C 57 177.400 178.852 -1.452 1
1 702 . 13 1 1 A 57 57 ASP CA C 57 55.800 57.550 -1.750 1
1 703 . 13 1 1 A 57 57 ASP CB C 57 40.800 41.590 -0.790 1
1 704 . 13 1 1 A 57 57 ASP N N 57 120.000 119.963 0.037 1
1 705 . 13 1 1 A 58 58 THR H H 58 7.890 8.125 -0.235 1
1 706 . 13 1 1 A 58 58 THR HA H 58 4.310 4.162 0.148 1
1 711 . 13 1 1 A 58 58 THR C C 58 175.500 175.186 0.314 1
1 712 . 13 1 1 A 58 58 THR CA C 58 62.200 64.257 -2.057 1
1 713 . 13 1 1 A 58 58 THR CB C 58 69.800 69.288 0.512 1
1 715 . 13 1 1 A 58 58 THR N N 58 111.300 113.902 -2.602 1
1 716 . 13 1 1 A 59 59 GLY H H 59 8.070 8.723 -0.653 1
1 717 . 13 1 1 A 59 59 GLY HA2 H 59 4.010 3.946 0.064 1
1 718 . 13 1 1 A 59 59 GLY HA3 H 59 4.010 3.947 0.063 1
1 719 . 13 1 1 A 59 59 GLY C C 59 174.700 174.639 0.061 1
1 720 . 13 1 1 A 59 59 GLY CA C 59 45.600 46.367 -0.767 1
1 721 . 13 1 1 A 59 59 GLY N N 59 110.600 108.305 2.295 1
1 722 . 13 1 1 A 60 60 GLY H H 60 8.260 8.506 -0.246 1
1 723 . 13 1 1 A 60 60 GLY HA2 H 60 3.990 4.086 -0.096 1
1 724 . 13 1 1 A 60 60 GLY HA3 H 60 3.990 4.087 -0.097 1
1 725 . 13 1 1 A 60 60 GLY C C 60 173.900 174.282 -0.382 1
1 726 . 13 1 1 A 60 60 GLY CA C 60 45.100 44.887 0.213 1
1 727 . 13 1 1 A 60 60 GLY N N 60 108.700 107.640 1.060 1
1 728 . 13 1 1 A 61 61 ASP H H 61 8.320 8.524 -0.204 1
1 729 . 13 1 1 A 61 61 ASP HA H 61 4.650 4.294 0.356 1
1 732 . 13 1 1 A 61 61 ASP C C 61 176.200 175.771 0.429 1
1 733 . 13 1 1 A 61 61 ASP CA C 61 54.200 56.917 -2.717 1
1 734 . 13 1 1 A 61 61 ASP CB C 61 41.300 40.788 0.512 1
1 735 . 13 1 1 A 61 61 ASP N N 61 120.500 123.340 -2.840 1
1 736 . 13 1 1 A 62 62 ASP H H 62 8.400 8.201 0.199 1
1 737 . 13 1 1 A 62 62 ASP HA H 62 4.600 4.256 0.344 1
1 740 . 13 1 1 A 62 62 ASP C C 62 177.100 176.128 0.972 1
1 741 . 13 1 1 A 62 62 ASP CA C 62 54.200 55.338 -1.138 1
1 742 . 13 1 1 A 62 62 ASP CB C 62 41.100 39.161 1.939 1
1 743 . 13 1 1 A 62 62 ASP N N 62 121.100 117.807 3.293 1
1 744 . 13 1 1 A 63 63 GLY H H 63 8.500 8.543 -0.043 1
1 745 . 13 1 1 A 63 63 GLY HA2 H 63 3.950 4.025 -0.075 1
1 746 . 13 1 1 A 63 63 GLY HA3 H 63 3.950 4.026 -0.076 1
1 747 . 13 1 1 A 63 63 GLY C C 63 175.000 172.645 2.355 1
1 748 . 13 1 1 A 63 63 GLY CA C 63 45.700 44.319 1.381 1
1 749 . 13 1 1 A 63 63 GLY N N 63 109.400 105.522 3.878 1
1 750 . 13 1 1 A 64 64 GLY H H 64 8.360 8.206 0.154 1
1 751 . 13 1 1 A 64 64 GLY HA2 H 64 3.950 4.150 -0.200 1
1 752 . 13 1 1 A 64 64 GLY HA3 H 64 3.950 4.151 -0.201 1
1 753 . 13 1 1 A 64 64 GLY C C 64 174.300 172.202 2.098 1
1 754 . 13 1 1 A 64 64 GLY CA C 64 45.300 45.496 -0.196 1
1 755 . 13 1 1 A 64 64 GLY N N 64 108.700 107.420 1.280 1
1 756 . 13 1 1 A 65 65 LEU H H 65 8.020 8.574 -0.554 1
1 757 . 13 1 1 A 65 65 LEU HA H 65 4.460 4.693 -0.233 1
1 767 . 13 1 1 A 65 65 LEU C C 65 178.000 177.717 0.283 1
1 768 . 13 1 1 A 65 65 LEU CA C 65 55.200 53.952 1.248 1
1 769 . 13 1 1 A 65 65 LEU CB C 65 42.700 43.325 -0.625 1
1 773 . 13 1 1 A 65 65 LEU N N 65 121.300 124.911 -3.611 1
1 774 . 13 1 1 A 66 66 THR H H 66 8.470 8.450 0.020 1
1 775 . 13 1 1 A 66 66 THR HA H 66 4.440 4.421 0.019 1
1 780 . 13 1 1 A 66 66 THR C C 66 175.200 174.649 0.551 1
1 781 . 13 1 1 A 66 66 THR CA C 66 61.600 63.498 -1.898 1
1 782 . 13 1 1 A 66 66 THR CB C 66 70.200 69.267 0.933 1
1 784 . 13 1 1 A 66 66 THR N N 66 114.300 117.658 -3.358 1
1 785 . 13 1 1 A 67 67 THR H H 67 8.370 7.655 0.715 1
1 786 . 13 1 1 A 67 67 THR HA H 67 4.110 4.448 -0.338 1
1 791 . 13 1 1 A 67 67 THR C C 67 175.300 173.941 1.359 1
1 792 . 13 1 1 A 67 67 THR CA C 67 63.900 61.590 2.310 1
1 793 . 13 1 1 A 67 67 THR CB C 67 69.100 68.068 1.032 1
1 795 . 13 1 1 A 67 67 THR N N 67 116.600 110.820 5.780 1
1 796 . 13 1 1 A 68 68 ALA H H 68 8.340 8.445 -0.105 1
1 797 . 13 1 1 A 68 68 ALA HA H 68 4.220 4.320 -0.100 1
1 801 . 13 1 1 A 68 68 ALA C C 68 179.100 177.975 1.125 1
1 802 . 13 1 1 A 68 68 ALA CA C 68 53.800 52.107 1.693 1
1 803 . 13 1 1 A 68 68 ALA CB C 68 18.700 19.293 -0.593 1
1 804 . 13 1 1 A 68 68 ALA N N 68 124.500 128.816 -4.316 1
1 805 . 13 1 1 A 69 69 GLU H H 69 8.090 8.999 -0.909 1
1 806 . 13 1 1 A 69 69 GLU HA H 69 4.140 3.985 0.155 1
1 811 . 13 1 1 A 69 69 GLU C C 69 177.800 176.839 0.961 1
1 812 . 13 1 1 A 69 69 GLU CA C 69 57.700 59.688 -1.988 1
1 813 . 13 1 1 A 69 69 GLU CB C 69 30.100 29.629 0.471 1
1 815 . 13 1 1 A 69 69 GLU N N 69 119.000 122.446 -3.446 1
1 816 . 13 1 1 A 70 70 ARG H H 70 8.300 8.068 0.232 1
1 817 . 13 1 1 A 70 70 ARG HA H 70 4.140 3.903 0.237 1
1 824 . 13 1 1 A 70 70 ARG C C 70 177.400 174.932 2.468 1
1 825 . 13 1 1 A 70 70 ARG CA C 70 57.500 57.563 -0.063 1
1 826 . 13 1 1 A 70 70 ARG CB C 70 30.300 29.885 0.415 1
1 829 . 13 1 1 A 70 70 ARG N N 70 120.400 119.343 1.057 1
1 830 . 13 1 1 A 71 71 GLN H H 71 8.200 7.948 0.252 1
1 831 . 13 1 1 A 71 71 GLN HA H 71 4.200 4.328 -0.128 1
1 838 . 13 1 1 A 71 71 GLN C C 71 176.600 175.136 1.464 1
1 839 . 13 1 1 A 71 71 GLN CA C 71 56.800 55.462 1.338 1
1 840 . 13 1 1 A 71 71 GLN CB C 71 28.900 29.092 -0.192 1
1 842 . 13 1 1 A 71 71 GLN N N 71 119.500 119.597 -0.097 1
1 844 . 13 1 1 A 72 72 ARG H H 72 7.990 8.952 -0.962 1
1 845 . 13 1 1 A 72 72 ARG HA H 72 4.240 4.645 -0.405 1
1 847 . 13 1 1 A 72 72 ARG C C 72 176.600 175.692 0.908 1
1 848 . 13 1 1 A 72 72 ARG CA C 72 56.900 55.868 1.032 1
1 849 . 13 1 1 A 72 72 ARG CB C 72 30.500 30.706 -0.206 1
1 852 . 13 1 1 A 72 72 ARG N N 72 120.600 125.682 -5.082 1
1 853 . 13 1 1 A 73 73 LEU H H 73 7.980 8.884 -0.904 1
1 854 . 13 1 1 A 73 73 LEU HA H 73 4.280 4.479 -0.199 1
1 864 . 13 1 1 A 73 73 LEU C C 73 177.100 175.580 1.520 1
1 865 . 13 1 1 A 73 73 LEU CA C 73 55.300 53.942 1.358 1
1 866 . 13 1 1 A 73 73 LEU CB C 73 42.200 40.783 1.417 1
1 870 . 13 1 1 A 73 73 LEU N N 73 121.400 127.641 -6.241 1
1 871 . 13 1 1 A 74 74 LYS H H 74 8.050 7.800 0.250 1
1 872 . 13 1 1 A 74 74 LYS HA H 74 4.300 4.535 -0.235 1
1 881 . 13 1 1 A 74 74 LYS C C 74 176.100 176.181 -0.081 1
1 882 . 13 1 1 A 74 74 LYS CA C 74 56.000 55.145 0.855 1
1 883 . 13 1 1 A 74 74 LYS CB C 74 33.000 34.132 -1.132 1
1 887 . 13 1 1 A 74 74 LYS N N 74 121.000 120.093 0.907 1
1 888 . 13 1 1 A 75 75 GLU H H 75 8.360 8.783 -0.423 1
1 889 . 13 1 1 A 75 75 GLU HA H 75 4.550 3.878 0.672 1
1 894 . 13 1 1 A 75 75 GLU CA C 75 54.400 56.941 -2.541 1
1 895 . 13 1 1 A 75 75 GLU CB C 75 29.600 28.219 1.381 1
1 897 . 13 1 1 A 75 75 GLU N N 75 123.800 122.224 1.576 1
1 898 . 13 1 1 A 76 76 PRO HA H 76 4.410 4.447 -0.037 1
1 905 . 13 1 1 A 76 76 PRO C C 76 177.000 176.390 0.610 1
1 906 . 13 1 1 A 76 76 PRO CA C 76 63.300 63.150 0.150 1
1 907 . 13 1 1 A 76 76 PRO CB C 76 32.000 32.074 -0.074 1
1 910 . 13 1 1 A 77 77 GLU H H 77 8.580 8.618 -0.038 1
1 911 . 13 1 1 A 77 77 GLU HA H 77 4.220 4.369 -0.149 1
1 916 . 13 1 1 A 77 77 GLU C C 77 176.700 176.814 -0.114 1
1 917 . 13 1 1 A 77 77 GLU CA C 77 56.800 55.665 1.135 1
1 918 . 13 1 1 A 77 77 GLU CB C 77 29.900 28.139 1.761 1
1 920 . 13 1 1 A 77 77 GLU N N 77 120.800 122.855 -2.055 1
1 921 . 13 1 1 A 78 78 ARG H H 78 8.330 8.261 0.069 1
1 922 . 13 1 1 A 78 78 ARG HA H 78 4.270 4.517 -0.247 1
1 925 . 13 1 1 A 78 78 ARG C C 78 176.500 176.262 0.238 1
1 926 . 13 1 1 A 78 78 ARG CA C 78 56.700 56.851 -0.151 1
1 927 . 13 1 1 A 78 78 ARG CB C 78 30.600 30.422 0.178 1
1 930 . 13 1 1 A 78 78 ARG N N 78 122.000 121.709 0.291 1
1 931 . 13 1 1 A 79 79 GLU H H 79 8.020 7.843 0.177 1
1 932 . 13 1 1 A 79 79 GLU HA H 79 4.230 4.220 0.010 1
1 937 . 13 1 1 A 79 79 GLU C C 79 176.100 176.623 -0.523 1
1 938 . 13 1 1 A 79 79 GLU CA C 79 56.500 56.734 -0.234 1
1 939 . 13 1 1 A 79 79 GLU CB C 79 30.200 29.906 0.294 1
1 941 . 13 1 1 A 79 79 GLU N N 79 121.900 121.247 0.653 1
1 942 . 13 1 1 A 80 80 ASN H H 80 8.510 8.617 -0.107 1
1 943 . 13 1 1 A 80 80 ASN HA H 80 4.690 5.134 -0.444 1
1 948 . 13 1 1 A 80 80 ASN C C 80 175.400 175.640 -0.240 1
1 949 . 13 1 1 A 80 80 ASN CA C 80 53.300 52.814 0.486 1
1 950 . 13 1 1 A 80 80 ASN CB C 80 38.500 39.562 -1.062 1
1 951 . 13 1 1 A 80 80 ASN N N 80 120.000 125.224 -5.224 1
1 953 . 13 1 1 A 81 81 ARG H H 81 8.400 8.036 0.364 1
1 954 . 13 1 1 A 81 81 ARG HA H 81 4.250 4.004 0.246 1
1 961 . 13 1 1 A 81 81 ARG C C 81 175.600 178.471 -2.871 1
1 962 . 13 1 1 A 81 81 ARG CA C 81 56.500 59.736 -3.236 1
1 963 . 13 1 1 A 81 81 ARG CB C 81 30.800 30.111 0.689 1
1 966 . 13 1 1 A 81 81 ARG N N 81 121.900 120.673 1.227 1
1 967 . 13 1 1 A 82 82 GLU H H 82 8.410 7.831 0.579 1
1 968 . 13 1 1 A 82 82 GLU HA H 82 4.240 4.126 0.114 1
1 973 . 13 1 1 A 82 82 GLU C C 82 176.400 177.059 -0.659 1
1 974 . 13 1 1 A 82 82 GLU CA C 82 56.700 58.791 -2.091 1
1 975 . 13 1 1 A 82 82 GLU CB C 82 29.900 29.535 0.365 1
1 977 . 13 1 1 A 82 82 GLU N N 82 120.900 118.913 1.987 1
1 978 . 13 1 1 A 83 83 LEU H H 83 8.120 7.360 0.760 1
1 979 . 13 1 1 A 83 83 LEU HA H 83 4.310 4.407 -0.097 1
1 988 . 13 1 1 A 83 83 LEU C C 83 177.100 174.954 2.146 1
1 989 . 13 1 1 A 83 83 LEU CA C 83 55.200 53.776 1.424 1
1 990 . 13 1 1 A 83 83 LEU CB C 83 42.100 40.911 1.189 1
1 994 . 13 1 1 A 83 83 LEU N N 83 122.800 119.890 2.910 1
1 995 . 13 1 1 A 84 84 ARG H H 84 8.260 8.002 0.258 1
1 996 . 13 1 1 A 84 84 ARG HA H 84 4.340 4.946 -0.606 1
1 999 . 13 1 1 A 84 84 ARG C C 84 176.000 175.504 0.496 1
1 1000 . 13 1 1 A 84 84 ARG CA C 84 55.900 53.979 1.921 1
1 1001 . 13 1 1 A 84 84 ARG CB C 84 30.600 33.505 -2.905 1
1 1004 . 13 1 1 A 84 84 ARG N N 84 121.800 124.828 -3.028 1
1 1005 . 13 1 1 A 85 85 ARG H H 85 8.390 8.740 -0.350 1
1 1006 . 13 1 1 A 85 85 ARG HA H 85 4.390 4.336 0.054 1
1 1009 . 13 1 1 A 85 85 ARG C C 85 176.100 175.103 0.997 1
1 1010 . 13 1 1 A 85 85 ARG CA C 85 56.000 56.169 -0.169 1
1 1011 . 13 1 1 A 85 85 ARG CB C 85 31.000 29.150 1.850 1
1 1014 . 13 1 1 A 85 85 ARG N N 85 122.800 121.575 1.225 1
1 1015 . 13 1 1 A 86 86 SER H H 86 8.430 8.190 0.240 1
1 1016 . 13 1 1 A 86 86 SER HA H 86 4.470 4.775 -0.305 1
1 1019 . 13 1 1 A 86 86 SER C C 86 173.300 175.150 -1.850 1
1 1020 . 13 1 1 A 86 86 SER CA C 86 58.200 56.456 1.744 1
1 1021 . 13 1 1 A 86 86 SER CB C 86 64.000 64.296 -0.296 1
1 1022 . 13 1 1 A 86 86 SER N N 86 117.500 117.296 0.204 1
1 1023 . 13 1 1 A 87 87 ASN H H 87 8.120 8.879 -0.759 1
1 1024 . 13 1 1 A 87 87 ASN HA H 87 4.470 4.717 -0.247 1
1 1029 . 13 1 1 A 87 87 ASN CA C 87 54.800 55.257 -0.457 1
1 1030 . 13 1 1 A 87 87 ASN CB C 87 40.100 39.296 0.804 1
1 1031 . 13 1 1 A 87 87 ASN N N 87 125.900 124.907 0.993 1
1 1033 . 13 1 1 A 88 88 ASP HA H 88 4.640 4.690 -0.050 1
1 1036 . 13 1 1 A 88 88 ASP C C 88 175.700 175.018 0.682 1
1 1037 . 13 1 1 A 88 88 ASP CA C 88 54.500 53.587 0.913 1
1 1038 . 13 1 1 A 88 88 ASP CB C 88 41.100 39.881 1.219 1
1 1039 . 13 1 1 A 89 89 ILE H H 89 8.000 7.870 0.130 1
1 1040 . 13 1 1 A 89 89 ILE HA H 89 4.160 4.560 -0.400 1
1 1050 . 13 1 1 A 89 89 ILE C C 89 175.200 173.376 1.824 1
1 1051 . 13 1 1 A 89 89 ILE CA C 89 61.100 60.259 0.841 1
1 1052 . 13 1 1 A 89 89 ILE CB C 89 38.500 41.270 -2.770 1
1 1056 . 13 1 1 A 89 89 ILE N N 89 120.400 124.120 -3.720 1
1 1057 . 13 1 1 A 90 90 LEU H H 90 7.880 8.826 -0.946 1
1 1058 . 13 1 1 A 90 90 LEU HA H 90 4.190 4.872 -0.682 1
1 1067 . 13 1 1 A 90 90 LEU CA C 90 56.700 53.979 2.721 1
1 1068 . 13 1 1 A 90 90 LEU CB C 90 43.300 43.485 -0.185 1
1 1072 . 13 1 1 A 90 90 LEU N N 90 131.900 128.907 2.993 1
1 1073 . 13 1 1 A 93 93 ALA HA H 93 4.370 5.406 -1.036 1
1 1077 . 13 1 1 A 93 93 ALA C C 93 176.600 175.986 0.614 1
1 1078 . 13 1 1 A 93 93 ALA CA C 93 52.300 50.283 2.017 1
1 1079 . 13 1 1 A 93 93 ALA CB C 93 19.200 21.155 -1.955 1
1 1080 . 13 1 1 A 94 94 SER H H 94 7.910 8.652 -0.742 1
1 1081 . 13 1 1 A 94 94 SER HA H 94 4.250 4.781 -0.531 1
1 1084 . 13 1 1 A 94 94 SER CA C 94 59.900 57.360 2.540 1
1 1085 . 13 1 1 A 94 94 SER CB C 94 64.700 63.664 1.036 1
1 1 . 14 1 1 A 2 2 THR HA H 2 4.360 4.104 0.256 1
1 6 . 14 1 1 A 2 2 THR C C 2 174.300 176.063 -1.763 1
1 7 . 14 1 1 A 2 2 THR CA C 2 61.900 66.515 -4.615 1
1 8 . 14 1 1 A 2 2 THR CB C 2 69.900 68.717 1.183 1
1 10 . 14 1 1 A 3 3 LYS H H 3 8.520 7.832 0.688 1
1 11 . 14 1 1 A 3 3 LYS HA H 3 4.320 4.401 -0.081 1
1 20 . 14 1 1 A 3 3 LYS C C 3 176.100 176.462 -0.362 1
1 21 . 14 1 1 A 3 3 LYS CA C 3 56.400 56.061 0.339 1
1 22 . 14 1 1 A 3 3 LYS CB C 3 33.000 34.686 -1.686 1
1 26 . 14 1 1 A 3 3 LYS N N 3 124.100 117.481 6.619 1
1 27 . 14 1 1 A 4 4 ASN H H 4 8.560 7.934 0.626 1
1 28 . 14 1 1 A 4 4 ASN HA H 4 4.760 4.856 -0.096 1
1 33 . 14 1 1 A 4 4 ASN C C 4 175.200 175.617 -0.417 1
1 34 . 14 1 1 A 4 4 ASN CA C 4 53.300 52.287 1.013 1
1 35 . 14 1 1 A 4 4 ASN CB C 4 38.900 40.024 -1.124 1
1 36 . 14 1 1 A 4 4 ASN N N 4 120.200 119.237 0.963 1
1 38 . 14 1 1 A 5 5 THR H H 5 8.130 8.786 -0.656 1
1 39 . 14 1 1 A 5 5 THR HA H 5 4.310 3.881 0.429 1
1 44 . 14 1 1 A 5 5 THR C C 5 173.900 174.393 -0.493 1
1 45 . 14 1 1 A 5 5 THR CA C 5 61.800 62.806 -1.006 1
1 46 . 14 1 1 A 5 5 THR CB C 5 69.500 66.581 2.919 1
1 48 . 14 1 1 A 5 5 THR N N 5 114.900 119.701 -4.801 1
1 49 . 14 1 1 A 6 6 ARG H H 6 8.160 7.858 0.302 1
1 50 . 14 1 1 A 6 6 ARG HA H 6 4.300 4.940 -0.640 1
1 57 . 14 1 1 A 6 6 ARG C C 6 176.300 175.011 1.289 1
1 58 . 14 1 1 A 6 6 ARG CA C 6 56.300 55.031 1.269 1
1 59 . 14 1 1 A 6 6 ARG CB C 6 30.700 31.287 -0.587 1
1 62 . 14 1 1 A 6 6 ARG N N 6 123.600 120.541 3.059 1
1 63 . 14 1 1 A 7 7 PHE H H 7 8.460 9.088 -0.628 1
1 64 . 14 1 1 A 7 7 PHE HA H 7 4.760 5.012 -0.252 1
1 72 . 14 1 1 A 7 7 PHE C C 7 175.000 174.823 0.177 1
1 73 . 14 1 1 A 7 7 PHE CA C 7 56.700 56.317 0.383 1
1 74 . 14 1 1 A 7 7 PHE CB C 7 40.300 40.161 0.139 1
1 80 . 14 1 1 A 7 7 PHE N N 7 121.500 124.131 -2.631 1
1 81 . 14 1 1 A 8 8 SER H H 8 8.520 8.963 -0.443 1
1 82 . 14 1 1 A 8 8 SER HA H 8 4.600 4.730 -0.130 1
1 85 . 14 1 1 A 8 8 SER CA C 8 56.700 56.993 -0.293 1
1 86 . 14 1 1 A 8 8 SER CB C 8 62.600 63.103 -0.503 1
1 87 . 14 1 1 A 8 8 SER N N 8 121.500 121.161 0.339 1
1 88 . 14 1 1 A 9 9 PRO HA H 9 3.920 4.230 -0.310 1
1 95 . 14 1 1 A 9 9 PRO C C 9 178.500 178.007 0.493 1
1 96 . 14 1 1 A 9 9 PRO CA C 9 65.800 65.628 0.172 1
1 97 . 14 1 1 A 9 9 PRO CB C 9 31.500 31.983 -0.483 1
1 100 . 14 1 1 A 10 10 GLU H H 10 8.610 8.235 0.375 1
1 101 . 14 1 1 A 10 10 GLU HA H 10 3.990 4.085 -0.095 1
1 106 . 14 1 1 A 10 10 GLU C C 10 179.100 179.086 0.014 1
1 107 . 14 1 1 A 10 10 GLU CA C 10 60.000 59.487 0.513 1
1 108 . 14 1 1 A 10 10 GLU CB C 10 28.800 29.106 -0.306 1
1 110 . 14 1 1 A 10 10 GLU N N 10 116.600 118.101 -1.501 1
1 111 . 14 1 1 A 11 11 VAL H H 11 7.510 7.859 -0.349 1
1 112 . 14 1 1 A 11 11 VAL HA H 11 3.610 3.406 0.204 1
1 120 . 14 1 1 A 11 11 VAL C C 11 177.700 177.887 -0.187 1
1 121 . 14 1 1 A 11 11 VAL CA C 11 66.400 66.490 -0.090 1
1 122 . 14 1 1 A 11 11 VAL CB C 11 31.600 31.562 0.038 1
1 125 . 14 1 1 A 11 11 VAL N N 11 122.700 120.445 2.255 1
1 126 . 14 1 1 A 12 12 ARG H H 12 7.800 7.592 0.208 1
1 127 . 14 1 1 A 12 12 ARG HA H 12 3.440 3.603 -0.163 1
1 135 . 14 1 1 A 12 12 ARG C C 12 178.000 178.506 -0.506 1
1 136 . 14 1 1 A 12 12 ARG CA C 12 59.300 59.828 -0.528 1
1 137 . 14 1 1 A 12 12 ARG CB C 12 29.600 29.482 0.118 1
1 140 . 14 1 1 A 12 12 ARG N N 12 118.700 119.166 -0.466 1
1 142 . 14 1 1 A 13 13 GLN H H 13 8.050 8.337 -0.287 1
1 143 . 14 1 1 A 13 13 GLN HA H 13 3.860 3.970 -0.110 1
1 150 . 14 1 1 A 13 13 GLN C C 13 178.800 178.472 0.328 1
1 151 . 14 1 1 A 13 13 GLN CA C 13 58.600 58.915 -0.315 1
1 152 . 14 1 1 A 13 13 GLN CB C 13 28.300 28.974 -0.674 1
1 154 . 14 1 1 A 13 13 GLN N N 13 116.100 119.047 -2.947 1
1 156 . 14 1 1 A 14 14 ARG H H 14 7.750 8.184 -0.434 1
1 157 . 14 1 1 A 14 14 ARG HA H 14 3.970 4.013 -0.043 1
1 164 . 14 1 1 A 14 14 ARG C C 14 177.900 178.294 -0.394 1
1 165 . 14 1 1 A 14 14 ARG CA C 14 59.100 58.887 0.213 1
1 166 . 14 1 1 A 14 14 ARG CB C 14 30.000 29.765 0.235 1
1 169 . 14 1 1 A 14 14 ARG N N 14 120.400 119.320 1.080 1
1 170 . 14 1 1 A 15 15 ALA H H 15 8.500 7.918 0.582 1
1 171 . 14 1 1 A 15 15 ALA HA H 15 4.040 4.048 -0.008 1
1 175 . 14 1 1 A 15 15 ALA C C 15 178.800 180.055 -1.255 1
1 176 . 14 1 1 A 15 15 ALA CA C 15 55.300 55.166 0.134 1
1 177 . 14 1 1 A 15 15 ALA CB C 15 19.700 18.709 0.991 1
1 178 . 14 1 1 A 15 15 ALA N N 15 122.200 122.350 -0.150 1
1 179 . 14 1 1 A 16 16 VAL H H 16 8.230 8.179 0.051 1
1 180 . 14 1 1 A 16 16 VAL HA H 16 3.360 3.330 0.030 1
1 188 . 14 1 1 A 16 16 VAL C C 16 177.700 177.650 0.050 1
1 189 . 14 1 1 A 16 16 VAL CA C 16 67.100 67.046 0.054 1
1 190 . 14 1 1 A 16 16 VAL CB C 16 31.600 31.292 0.308 1
1 193 . 14 1 1 A 16 16 VAL N N 16 116.500 117.899 -1.399 1
1 194 . 14 1 1 A 17 17 ARG H H 17 7.900 8.384 -0.484 1
1 195 . 14 1 1 A 17 17 ARG HA H 17 3.830 3.866 -0.036 1
1 202 . 14 1 1 A 17 17 ARG C C 17 178.000 178.552 -0.552 1
1 203 . 14 1 1 A 17 17 ARG CA C 17 59.700 59.791 -0.091 1
1 204 . 14 1 1 A 17 17 ARG CB C 17 29.200 30.120 -0.920 1
1 207 . 14 1 1 A 17 17 ARG N N 17 119.000 119.705 -0.705 1
1 208 . 14 1 1 A 18 18 MET H H 18 8.210 8.236 -0.026 1
1 209 . 14 1 1 A 18 18 MET HA H 18 4.090 4.148 -0.058 1
1 217 . 14 1 1 A 18 18 MET C C 18 179.400 178.036 1.364 1
1 218 . 14 1 1 A 18 18 MET CA C 18 59.500 58.521 0.979 1
1 219 . 14 1 1 A 18 18 MET CB C 18 33.600 32.260 1.340 1
1 222 . 14 1 1 A 18 18 MET N N 18 117.300 118.927 -1.627 1
1 223 . 14 1 1 A 19 19 VAL H H 19 7.790 7.990 -0.200 1
1 224 . 14 1 1 A 19 19 VAL HA H 19 3.390 3.562 -0.172 1
1 232 . 14 1 1 A 19 19 VAL C C 19 177.200 178.151 -0.951 1
1 233 . 14 1 1 A 19 19 VAL CA C 19 66.100 66.830 -0.730 1
1 234 . 14 1 1 A 19 19 VAL CB C 19 31.600 31.482 0.118 1
1 237 . 14 1 1 A 19 19 VAL N N 19 119.900 119.616 0.284 1
1 238 . 14 1 1 A 20 20 LEU H H 20 8.280 8.258 0.022 1
1 239 . 14 1 1 A 20 20 LEU HA H 20 4.070 3.894 0.176 1
1 249 . 14 1 1 A 20 20 LEU C C 20 180.600 179.283 1.317 1
1 250 . 14 1 1 A 20 20 LEU CA C 20 57.900 58.389 -0.489 1
1 251 . 14 1 1 A 20 20 LEU CB C 20 40.800 41.493 -0.693 1
1 255 . 14 1 1 A 20 20 LEU N N 20 118.400 118.925 -0.525 1
1 256 . 14 1 1 A 21 21 GLU H H 21 8.690 8.379 0.311 1
1 257 . 14 1 1 A 21 21 GLU HA H 21 4.230 4.208 0.022 1
1 262 . 14 1 1 A 21 21 GLU C C 21 178.200 177.444 0.756 1
1 263 . 14 1 1 A 21 21 GLU CA C 21 57.900 58.678 -0.778 1
1 264 . 14 1 1 A 21 21 GLU CB C 21 29.700 29.231 0.469 1
1 266 . 14 1 1 A 21 21 GLU N N 21 115.900 117.462 -1.562 1
1 267 . 14 1 1 A 22 22 SER H H 22 7.580 7.638 -0.058 1
1 268 . 14 1 1 A 22 22 SER HA H 22 4.790 4.425 0.365 1
1 271 . 14 1 1 A 22 22 SER C C 22 175.200 176.127 -0.927 1
1 272 . 14 1 1 A 22 22 SER CA C 22 59.500 60.711 -1.211 1
1 273 . 14 1 1 A 22 22 SER CB C 22 64.500 63.572 0.928 1
1 274 . 14 1 1 A 22 22 SER N N 22 113.000 115.933 -2.933 1
1 275 . 14 1 1 A 23 23 GLN H H 23 7.780 8.145 -0.365 1
1 276 . 14 1 1 A 23 23 GLN HA H 23 4.800 4.083 0.717 1
1 283 . 14 1 1 A 23 23 GLN C C 23 177.100 178.193 -1.093 1
1 284 . 14 1 1 A 23 23 GLN CA C 23 57.800 59.309 -1.509 1
1 285 . 14 1 1 A 23 23 GLN CB C 23 28.100 28.469 -0.369 1
1 287 . 14 1 1 A 23 23 GLN N N 23 119.900 121.937 -2.037 1
1 289 . 14 1 1 A 24 24 GLY H H 24 8.680 8.011 0.669 1
1 290 . 14 1 1 A 24 24 GLY HA2 H 24 3.860 3.993 -0.133 1
1 291 . 14 1 1 A 24 24 GLY HA3 H 24 4.110 3.997 0.113 1
1 292 . 14 1 1 A 24 24 GLY C C 24 175.100 175.149 -0.049 1
1 293 . 14 1 1 A 24 24 GLY CA C 24 45.900 46.542 -0.642 1
1 294 . 14 1 1 A 24 24 GLY N N 24 108.500 107.032 1.468 1
1 295 . 14 1 1 A 25 25 GLU H H 25 8.110 7.810 0.300 1
1 296 . 14 1 1 A 25 25 GLU HA H 25 4.210 4.575 -0.365 1
1 301 . 14 1 1 A 25 25 GLU C C 25 175.400 176.757 -1.357 1
1 302 . 14 1 1 A 25 25 GLU CA C 25 56.100 57.760 -1.660 1
1 303 . 14 1 1 A 25 25 GLU CB C 25 29.700 31.746 -2.046 1
1 305 . 14 1 1 A 25 25 GLU N N 25 118.200 120.324 -2.124 1
1 306 . 14 1 1 A 26 26 TYR H H 26 7.690 7.973 -0.283 1
1 307 . 14 1 1 A 26 26 TYR HA H 26 4.690 4.527 0.163 1
1 314 . 14 1 1 A 26 26 TYR C C 26 175.800 176.351 -0.551 1
1 315 . 14 1 1 A 26 26 TYR CA C 26 57.000 58.836 -1.836 1
1 316 . 14 1 1 A 26 26 TYR CB C 26 42.200 39.180 3.020 1
1 321 . 14 1 1 A 26 26 TYR N N 26 117.700 118.580 -0.880 1
1 322 . 14 1 1 A 27 27 ASP H H 27 8.850 8.957 -0.107 1
1 323 . 14 1 1 A 27 27 ASP HA H 27 4.520 4.569 -0.049 1
1 326 . 14 1 1 A 27 27 ASP C C 27 175.900 175.626 0.274 1
1 327 . 14 1 1 A 27 27 ASP CA C 27 55.400 56.358 -0.958 1
1 328 . 14 1 1 A 27 27 ASP CB C 27 41.200 41.587 -0.387 1
1 329 . 14 1 1 A 27 27 ASP N N 27 117.500 122.863 -5.363 1
1 330 . 14 1 1 A 28 28 SER H H 28 7.550 7.953 -0.403 1
1 331 . 14 1 1 A 28 28 SER HA H 28 4.740 4.901 -0.161 1
1 334 . 14 1 1 A 28 28 SER CA C 28 57.200 56.236 0.964 1
1 335 . 14 1 1 A 28 28 SER CB C 28 65.800 64.881 0.919 1
1 336 . 14 1 1 A 28 28 SER N N 28 109.000 113.663 -4.663 1
1 337 . 14 1 1 A 29 29 GLN HA H 29 3.950 4.149 -0.199 1
1 344 . 14 1 1 A 29 29 GLN C C 29 178.100 176.765 1.335 1
1 345 . 14 1 1 A 29 29 GLN CA C 29 60.200 58.338 1.862 1
1 346 . 14 1 1 A 29 29 GLN CB C 29 29.900 28.613 1.287 1
1 349 . 14 1 1 A 30 30 TRP H H 30 9.010 7.990 1.020 1
1 350 . 14 1 1 A 30 30 TRP HA H 30 4.720 4.273 0.447 1
1 359 . 14 1 1 A 30 30 TRP C C 30 177.100 178.428 -1.328 1
1 360 . 14 1 1 A 30 30 TRP CA C 30 59.300 61.181 -1.881 1
1 361 . 14 1 1 A 30 30 TRP CB C 30 30.000 29.270 0.730 1
1 367 . 14 1 1 A 30 30 TRP N N 30 121.400 122.075 -0.675 1
1 369 . 14 1 1 A 31 31 ALA H H 31 8.360 8.421 -0.061 1
1 370 . 14 1 1 A 31 31 ALA HA H 31 3.790 3.811 -0.021 1
1 374 . 14 1 1 A 31 31 ALA C C 31 180.300 179.434 0.866 1
1 375 . 14 1 1 A 31 31 ALA CA C 31 55.300 55.137 0.163 1
1 376 . 14 1 1 A 31 31 ALA CB C 31 18.200 18.116 0.084 1
1 377 . 14 1 1 A 31 31 ALA N N 31 121.600 121.730 -0.130 1
1 378 . 14 1 1 A 32 32 THR H H 32 7.420 7.697 -0.277 1
1 379 . 14 1 1 A 32 32 THR HA H 32 2.620 3.586 -0.966 1
1 384 . 14 1 1 A 32 32 THR C C 32 176.700 176.926 -0.226 1
1 385 . 14 1 1 A 32 32 THR CA C 32 66.200 65.272 0.928 1
1 386 . 14 1 1 A 32 32 THR CB C 32 67.800 68.134 -0.334 1
1 388 . 14 1 1 A 32 32 THR N N 32 115.700 111.341 4.359 1
1 389 . 14 1 1 A 33 33 ILE H H 33 8.490 7.665 0.825 1
1 390 . 14 1 1 A 33 33 ILE HA H 33 3.180 3.562 -0.382 1
1 400 . 14 1 1 A 33 33 ILE C C 33 177.300 177.880 -0.580 1
1 401 . 14 1 1 A 33 33 ILE CA C 33 65.900 64.955 0.945 1
1 402 . 14 1 1 A 33 33 ILE CB C 33 37.700 37.611 0.089 1
1 406 . 14 1 1 A 33 33 ILE N N 33 124.100 124.160 -0.060 1
1 407 . 14 1 1 A 34 34 CYS H H 34 8.060 8.209 -0.149 1
1 408 . 14 1 1 A 34 34 CYS HA H 34 3.610 4.062 -0.452 1
1 411 . 14 1 1 A 34 34 CYS C C 34 175.800 175.541 0.259 1
1 412 . 14 1 1 A 34 34 CYS CA C 34 63.800 61.726 2.074 1
1 413 . 14 1 1 A 34 34 CYS CB C 34 26.400 26.763 -0.363 1
1 414 . 14 1 1 A 34 34 CYS N N 34 115.900 121.022 -5.122 1
1 415 . 14 1 1 A 35 35 SER H H 35 7.150 7.372 -0.222 1
1 416 . 14 1 1 A 35 35 SER HA H 35 4.260 4.382 -0.122 1
1 419 . 14 1 1 A 35 35 SER C C 35 175.500 175.109 0.391 1
1 420 . 14 1 1 A 35 35 SER CA C 35 60.200 60.479 -0.279 1
1 421 . 14 1 1 A 35 35 SER CB C 35 63.600 63.678 -0.078 1
1 422 . 14 1 1 A 35 35 SER N N 35 113.600 115.505 -1.905 1
1 423 . 14 1 1 A 36 36 ILE H H 36 7.650 7.395 0.255 1
1 424 . 14 1 1 A 36 36 ILE HA H 36 3.850 3.953 -0.103 1
1 434 . 14 1 1 A 36 36 ILE C C 36 176.900 177.498 -0.598 1
1 435 . 14 1 1 A 36 36 ILE CA C 36 61.700 63.185 -1.485 1
1 436 . 14 1 1 A 36 36 ILE CB C 36 37.700 37.882 -0.182 1
1 440 . 14 1 1 A 36 36 ILE N N 36 120.700 120.407 0.293 1
1 441 . 14 1 1 A 37 37 ALA H H 37 8.200 8.430 -0.230 1
1 442 . 14 1 1 A 37 37 ALA HA H 37 3.860 4.003 -0.143 1
1 446 . 14 1 1 A 37 37 ALA CA C 37 57.400 57.225 0.175 1
1 447 . 14 1 1 A 37 37 ALA CB C 37 14.900 16.872 -1.972 1
1 448 . 14 1 1 A 37 37 ALA N N 37 122.200 124.357 -2.157 1
1 449 . 14 1 1 A 38 38 PRO HA H 38 4.470 4.394 0.076 1
1 456 . 14 1 1 A 38 38 PRO C C 38 178.800 177.816 0.984 1
1 457 . 14 1 1 A 38 38 PRO CA C 38 65.600 64.623 0.977 1
1 458 . 14 1 1 A 38 38 PRO CB C 38 31.000 31.446 -0.446 1
1 461 . 14 1 1 A 39 39 LYS H H 39 7.680 8.194 -0.514 1
1 462 . 14 1 1 A 39 39 LYS HA H 39 4.150 4.129 0.021 1
1 471 . 14 1 1 A 39 39 LYS C C 39 177.800 177.527 0.273 1
1 472 . 14 1 1 A 39 39 LYS CA C 39 58.000 58.054 -0.054 1
1 473 . 14 1 1 A 39 39 LYS CB C 39 31.800 32.721 -0.921 1
1 477 . 14 1 1 A 39 39 LYS N N 39 115.500 116.546 -1.046 1
1 478 . 14 1 1 A 40 40 ILE H H 40 7.540 7.438 0.102 1
1 479 . 14 1 1 A 40 40 ILE HA H 40 4.130 4.243 -0.113 1
1 489 . 14 1 1 A 40 40 ILE C C 40 176.500 176.546 -0.046 1
1 490 . 14 1 1 A 40 40 ILE CA C 40 59.600 62.000 -2.400 1
1 491 . 14 1 1 A 40 40 ILE CB C 40 37.300 39.159 -1.859 1
1 495 . 14 1 1 A 40 40 ILE N N 40 117.500 116.704 0.796 1
1 496 . 14 1 1 A 41 41 GLY H H 41 8.430 8.538 -0.108 1
1 497 . 14 1 1 A 41 41 GLY HA2 H 41 4.550 4.041 0.509 1
1 498 . 14 1 1 A 41 41 GLY HA3 H 41 3.790 4.050 -0.260 1
1 499 . 14 1 1 A 41 41 GLY C C 41 173.900 174.471 -0.571 1
1 500 . 14 1 1 A 41 41 GLY CA C 41 44.900 45.288 -0.388 1
1 501 . 14 1 1 A 41 41 GLY N N 41 105.100 108.683 -3.583 1
1 502 . 14 1 1 A 42 42 CYS H H 42 7.360 7.558 -0.198 1
1 503 . 14 1 1 A 42 42 CYS HA H 42 5.220 4.929 0.291 1
1 506 . 14 1 1 A 42 42 CYS C C 42 173.100 174.056 -0.956 1
1 507 . 14 1 1 A 42 42 CYS CA C 42 53.300 57.488 -4.188 1
1 508 . 14 1 1 A 42 42 CYS CB C 42 31.700 30.140 1.560 1
1 509 . 14 1 1 A 42 42 CYS N N 42 115.400 119.068 -3.668 1
1 510 . 14 1 1 A 43 43 THR H H 43 8.550 8.439 0.111 1
1 511 . 14 1 1 A 43 43 THR HA H 43 4.560 4.386 0.174 1
1 516 . 14 1 1 A 43 43 THR CA C 43 59.800 61.251 -1.451 1
1 517 . 14 1 1 A 43 43 THR CB C 43 68.500 69.103 -0.603 1
1 519 . 14 1 1 A 43 43 THR N N 43 111.500 117.448 -5.948 1
1 520 . 14 1 1 A 44 44 PRO HA H 44 3.680 4.252 -0.572 1
1 527 . 14 1 1 A 44 44 PRO C C 44 177.300 178.801 -1.501 1
1 528 . 14 1 1 A 44 44 PRO CA C 44 65.200 65.705 -0.505 1
1 529 . 14 1 1 A 44 44 PRO CB C 44 32.400 31.826 0.574 1
1 532 . 14 1 1 A 45 45 GLU H H 45 8.900 8.448 0.452 1
1 533 . 14 1 1 A 45 45 GLU HA H 45 3.990 4.044 -0.054 1
1 538 . 14 1 1 A 45 45 GLU C C 45 179.000 179.238 -0.238 1
1 539 . 14 1 1 A 45 45 GLU CA C 45 61.300 59.244 2.056 1
1 540 . 14 1 1 A 45 45 GLU CB C 45 28.200 29.124 -0.924 1
1 542 . 14 1 1 A 45 45 GLU N N 45 117.100 117.883 -0.783 1
1 543 . 14 1 1 A 46 46 THR H H 46 7.680 7.743 -0.063 1
1 544 . 14 1 1 A 46 46 THR HA H 46 3.560 3.697 -0.137 1
1 549 . 14 1 1 A 46 46 THR C C 46 173.800 175.800 -2.000 1
1 550 . 14 1 1 A 46 46 THR CA C 46 66.300 66.853 -0.553 1
1 551 . 14 1 1 A 46 46 THR CB C 46 68.000 67.513 0.487 1
1 553 . 14 1 1 A 46 46 THR N N 46 118.800 118.406 0.394 1
1 554 . 14 1 1 A 47 47 LEU H H 47 7.040 8.182 -1.142 1
1 555 . 14 1 1 A 47 47 LEU HA H 47 3.170 4.025 -0.855 1
1 565 . 14 1 1 A 47 47 LEU C C 47 177.500 178.537 -1.037 1
1 566 . 14 1 1 A 47 47 LEU CA C 47 56.800 58.229 -1.429 1
1 567 . 14 1 1 A 47 47 LEU CB C 47 40.500 41.538 -1.038 1
1 571 . 14 1 1 A 47 47 LEU N N 47 120.600 120.874 -0.274 1
1 572 . 14 1 1 A 48 48 ARG H H 48 8.430 8.072 0.358 1
1 573 . 14 1 1 A 48 48 ARG HA H 48 3.880 3.902 -0.022 1
1 580 . 14 1 1 A 48 48 ARG C C 48 177.400 178.553 -1.153 1
1 581 . 14 1 1 A 48 48 ARG CA C 48 60.200 58.947 1.253 1
1 582 . 14 1 1 A 48 48 ARG CB C 48 30.500 29.729 0.771 1
1 585 . 14 1 1 A 48 48 ARG N N 48 118.200 119.845 -1.645 1
1 586 . 14 1 1 A 49 49 VAL H H 49 7.400 7.441 -0.041 1
1 587 . 14 1 1 A 49 49 VAL HA H 49 3.630 3.519 0.111 1
1 595 . 14 1 1 A 49 49 VAL C C 49 178.900 178.223 0.677 1
1 596 . 14 1 1 A 49 49 VAL CA C 49 67.200 66.345 0.855 1
1 597 . 14 1 1 A 49 49 VAL CB C 49 30.700 31.465 -0.765 1
1 600 . 14 1 1 A 49 49 VAL N N 49 120.300 118.457 1.843 1
1 601 . 14 1 1 A 50 50 TRP H H 50 7.850 7.543 0.307 1
1 602 . 14 1 1 A 50 50 TRP HA H 50 4.740 4.355 0.385 1
1 611 . 14 1 1 A 50 50 TRP C C 50 180.400 178.946 1.454 1
1 612 . 14 1 1 A 50 50 TRP CA C 50 57.800 59.937 -2.137 1
1 613 . 14 1 1 A 50 50 TRP CB C 50 28.700 29.131 -0.431 1
1 619 . 14 1 1 A 50 50 TRP N N 50 120.300 119.868 0.432 1
1 621 . 14 1 1 A 51 51 VAL H H 51 8.820 8.237 0.583 1
1 622 . 14 1 1 A 51 51 VAL HA H 51 3.690 3.708 -0.018 1
1 630 . 14 1 1 A 51 51 VAL C C 51 177.700 178.159 -0.459 1
1 631 . 14 1 1 A 51 51 VAL CA C 51 66.800 66.756 0.044 1
1 632 . 14 1 1 A 51 51 VAL CB C 51 32.000 31.402 0.598 1
1 635 . 14 1 1 A 51 51 VAL N N 51 121.300 120.123 1.177 1
1 636 . 14 1 1 A 52 52 ARG H H 52 8.740 7.967 0.773 1
1 637 . 14 1 1 A 52 52 ARG HA H 52 4.260 3.952 0.308 1
1 644 . 14 1 1 A 52 52 ARG C C 52 179.500 178.641 0.859 1
1 645 . 14 1 1 A 52 52 ARG CA C 52 58.900 59.941 -1.041 1
1 646 . 14 1 1 A 52 52 ARG CB C 52 29.900 29.649 0.251 1
1 649 . 14 1 1 A 52 52 ARG N N 52 120.200 120.035 0.165 1
1 650 . 14 1 1 A 53 53 GLN H H 53 8.540 7.974 0.566 1
1 651 . 14 1 1 A 53 53 GLN HA H 53 4.050 4.117 -0.067 1
1 658 . 14 1 1 A 53 53 GLN C C 53 177.600 178.635 -1.035 1
1 659 . 14 1 1 A 53 53 GLN CA C 53 58.700 58.842 -0.142 1
1 660 . 14 1 1 A 53 53 GLN CB C 53 28.100 28.175 -0.075 1
1 662 . 14 1 1 A 53 53 GLN N N 53 119.100 119.019 0.081 1
1 664 . 14 1 1 A 54 54 HIS H H 54 8.010 8.315 -0.305 1
1 665 . 14 1 1 A 54 54 HIS HA H 54 4.410 4.296 0.114 1
1 668 . 14 1 1 A 54 54 HIS C C 54 177.800 177.479 0.321 1
1 669 . 14 1 1 A 54 54 HIS CA C 54 59.700 59.836 -0.136 1
1 670 . 14 1 1 A 54 54 HIS CB C 54 30.600 29.621 0.979 1
1 671 . 14 1 1 A 54 54 HIS N N 54 119.300 119.577 -0.277 1
1 672 . 14 1 1 A 55 55 GLU H H 55 8.460 8.581 -0.121 1
1 673 . 14 1 1 A 55 55 GLU HA H 55 3.940 3.894 0.046 1
1 678 . 14 1 1 A 55 55 GLU C C 55 178.400 179.854 -1.454 1
1 679 . 14 1 1 A 55 55 GLU CA C 55 58.800 59.931 -1.131 1
1 680 . 14 1 1 A 55 55 GLU CB C 55 29.800 29.594 0.206 1
1 682 . 14 1 1 A 55 55 GLU N N 55 119.700 118.251 1.449 1
1 683 . 14 1 1 A 56 56 ARG H H 56 7.990 8.556 -0.566 1
1 684 . 14 1 1 A 56 56 ARG HA H 56 4.160 4.058 0.102 1
1 691 . 14 1 1 A 56 56 ARG C C 56 177.800 178.171 -0.371 1
1 692 . 14 1 1 A 56 56 ARG CA C 56 58.100 58.969 -0.869 1
1 693 . 14 1 1 A 56 56 ARG CB C 56 30.100 29.746 0.354 1
1 696 . 14 1 1 A 56 56 ARG N N 56 119.200 120.685 -1.485 1
1 697 . 14 1 1 A 57 57 ASP H H 57 8.300 7.744 0.556 1
1 698 . 14 1 1 A 57 57 ASP HA H 57 4.550 4.434 0.116 1
1 701 . 14 1 1 A 57 57 ASP C C 57 177.400 177.555 -0.155 1
1 702 . 14 1 1 A 57 57 ASP CA C 57 55.800 56.716 -0.916 1
1 703 . 14 1 1 A 57 57 ASP CB C 57 40.800 41.330 -0.530 1
1 704 . 14 1 1 A 57 57 ASP N N 57 120.000 119.362 0.638 1
1 705 . 14 1 1 A 58 58 THR H H 58 7.890 7.298 0.592 1
1 706 . 14 1 1 A 58 58 THR HA H 58 4.310 4.201 0.109 1
1 711 . 14 1 1 A 58 58 THR C C 58 175.500 175.038 0.462 1
1 712 . 14 1 1 A 58 58 THR CA C 58 62.200 64.156 -1.956 1
1 713 . 14 1 1 A 58 58 THR CB C 58 69.800 70.041 -0.241 1
1 715 . 14 1 1 A 58 58 THR N N 58 111.300 111.059 0.241 1
1 716 . 14 1 1 A 59 59 GLY H H 59 8.070 8.197 -0.127 1
1 717 . 14 1 1 A 59 59 GLY HA2 H 59 4.010 4.139 -0.129 1
1 718 . 14 1 1 A 59 59 GLY HA3 H 59 4.010 4.142 -0.132 1
1 719 . 14 1 1 A 59 59 GLY C C 59 174.700 175.047 -0.347 1
1 720 . 14 1 1 A 59 59 GLY CA C 59 45.600 46.214 -0.614 1
1 721 . 14 1 1 A 59 59 GLY N N 59 110.600 107.824 2.776 1
1 722 . 14 1 1 A 60 60 GLY H H 60 8.260 8.576 -0.316 1
1 723 . 14 1 1 A 60 60 GLY HA2 H 60 3.990 3.996 -0.006 1
1 724 . 14 1 1 A 60 60 GLY HA3 H 60 3.990 3.999 -0.009 1
1 725 . 14 1 1 A 60 60 GLY C C 60 173.900 174.912 -1.012 1
1 726 . 14 1 1 A 60 60 GLY CA C 60 45.100 45.448 -0.348 1
1 727 . 14 1 1 A 60 60 GLY N N 60 108.700 109.324 -0.624 1
1 728 . 14 1 1 A 61 61 ASP H H 61 8.320 8.033 0.287 1
1 729 . 14 1 1 A 61 61 ASP HA H 61 4.650 4.574 0.076 1
1 732 . 14 1 1 A 61 61 ASP C C 61 176.200 175.242 0.958 1
1 733 . 14 1 1 A 61 61 ASP CA C 61 54.200 56.009 -1.809 1
1 734 . 14 1 1 A 61 61 ASP CB C 61 41.300 42.095 -0.795 1
1 735 . 14 1 1 A 61 61 ASP N N 61 120.500 121.266 -0.766 1
1 736 . 14 1 1 A 62 62 ASP H H 62 8.400 8.154 0.246 1
1 737 . 14 1 1 A 62 62 ASP HA H 62 4.600 5.004 -0.404 1
1 740 . 14 1 1 A 62 62 ASP C C 62 177.100 175.104 1.996 1
1 741 . 14 1 1 A 62 62 ASP CA C 62 54.200 52.944 1.256 1
1 742 . 14 1 1 A 62 62 ASP CB C 62 41.100 45.139 -4.039 1
1 743 . 14 1 1 A 62 62 ASP N N 62 121.100 117.656 3.444 1
1 744 . 14 1 1 A 63 63 GLY H H 63 8.500 8.181 0.319 1
1 745 . 14 1 1 A 63 63 GLY HA2 H 63 3.950 4.031 -0.081 1
1 746 . 14 1 1 A 63 63 GLY HA3 H 63 3.950 4.031 -0.081 1
1 747 . 14 1 1 A 63 63 GLY C C 63 175.000 175.372 -0.372 1
1 748 . 14 1 1 A 63 63 GLY CA C 63 45.700 45.517 0.183 1
1 749 . 14 1 1 A 63 63 GLY N N 63 109.400 112.618 -3.218 1
1 750 . 14 1 1 A 64 64 GLY H H 64 8.360 8.277 0.083 1
1 751 . 14 1 1 A 64 64 GLY HA2 H 64 3.950 4.060 -0.110 1
1 752 . 14 1 1 A 64 64 GLY HA3 H 64 3.950 4.062 -0.112 1
1 753 . 14 1 1 A 64 64 GLY C C 64 174.300 172.606 1.694 1
1 754 . 14 1 1 A 64 64 GLY CA C 64 45.300 44.328 0.972 1
1 755 . 14 1 1 A 64 64 GLY N N 64 108.700 108.901 -0.201 1
1 756 . 14 1 1 A 65 65 LEU H H 65 8.020 8.230 -0.210 1
1 757 . 14 1 1 A 65 65 LEU HA H 65 4.460 4.377 0.083 1
1 767 . 14 1 1 A 65 65 LEU C C 65 178.000 176.999 1.001 1
1 768 . 14 1 1 A 65 65 LEU CA C 65 55.200 53.661 1.539 1
1 769 . 14 1 1 A 65 65 LEU CB C 65 42.700 40.463 2.237 1
1 773 . 14 1 1 A 65 65 LEU N N 65 121.300 122.401 -1.101 1
1 774 . 14 1 1 A 66 66 THR H H 66 8.470 7.670 0.800 1
1 775 . 14 1 1 A 66 66 THR HA H 66 4.440 4.459 -0.019 1
1 780 . 14 1 1 A 66 66 THR C C 66 175.200 175.109 0.091 1
1 781 . 14 1 1 A 66 66 THR CA C 66 61.600 62.133 -0.533 1
1 782 . 14 1 1 A 66 66 THR CB C 66 70.200 69.556 0.644 1
1 784 . 14 1 1 A 66 66 THR N N 66 114.300 116.675 -2.375 1
1 785 . 14 1 1 A 67 67 THR H H 67 8.370 7.702 0.668 1
1 786 . 14 1 1 A 67 67 THR HA H 67 4.110 4.382 -0.272 1
1 791 . 14 1 1 A 67 67 THR C C 67 175.300 174.470 0.830 1
1 792 . 14 1 1 A 67 67 THR CA C 67 63.900 60.939 2.961 1
1 793 . 14 1 1 A 67 67 THR CB C 67 69.100 70.031 -0.931 1
1 795 . 14 1 1 A 67 67 THR N N 67 116.600 116.749 -0.149 1
1 796 . 14 1 1 A 68 68 ALA H H 68 8.340 8.382 -0.042 1
1 797 . 14 1 1 A 68 68 ALA HA H 68 4.220 4.275 -0.055 1
1 801 . 14 1 1 A 68 68 ALA C C 68 179.100 177.669 1.431 1
1 802 . 14 1 1 A 68 68 ALA CA C 68 53.800 54.929 -1.129 1
1 803 . 14 1 1 A 68 68 ALA CB C 68 18.700 19.627 -0.927 1
1 804 . 14 1 1 A 68 68 ALA N N 68 124.500 125.562 -1.062 1
1 805 . 14 1 1 A 69 69 GLU H H 69 8.090 8.112 -0.022 1
1 806 . 14 1 1 A 69 69 GLU HA H 69 4.140 3.979 0.161 1
1 811 . 14 1 1 A 69 69 GLU C C 69 177.800 175.565 2.235 1
1 812 . 14 1 1 A 69 69 GLU CA C 69 57.700 57.334 0.366 1
1 813 . 14 1 1 A 69 69 GLU CB C 69 30.100 28.566 1.534 1
1 815 . 14 1 1 A 69 69 GLU N N 69 119.000 117.700 1.300 1
1 816 . 14 1 1 A 70 70 ARG H H 70 8.300 8.595 -0.295 1
1 817 . 14 1 1 A 70 70 ARG HA H 70 4.140 3.972 0.168 1
1 824 . 14 1 1 A 70 70 ARG C C 70 177.400 174.939 2.461 1
1 825 . 14 1 1 A 70 70 ARG CA C 70 57.500 56.986 0.514 1
1 826 . 14 1 1 A 70 70 ARG CB C 70 30.300 28.741 1.559 1
1 829 . 14 1 1 A 70 70 ARG N N 70 120.400 124.541 -4.141 1
1 830 . 14 1 1 A 71 71 GLN H H 71 8.200 7.830 0.370 1
1 831 . 14 1 1 A 71 71 GLN HA H 71 4.200 4.648 -0.448 1
1 838 . 14 1 1 A 71 71 GLN C C 71 176.600 173.960 2.640 1
1 839 . 14 1 1 A 71 71 GLN CA C 71 56.800 55.340 1.460 1
1 840 . 14 1 1 A 71 71 GLN CB C 71 28.900 32.524 -3.624 1
1 842 . 14 1 1 A 71 71 GLN N N 71 119.500 123.899 -4.399 1
1 844 . 14 1 1 A 72 72 ARG H H 72 7.990 8.482 -0.492 1
1 845 . 14 1 1 A 72 72 ARG HA H 72 4.240 4.585 -0.345 1
1 847 . 14 1 1 A 72 72 ARG C C 72 176.600 175.940 0.660 1
1 848 . 14 1 1 A 72 72 ARG CA C 72 56.900 56.303 0.597 1
1 849 . 14 1 1 A 72 72 ARG CB C 72 30.500 30.983 -0.483 1
1 852 . 14 1 1 A 72 72 ARG N N 72 120.600 125.668 -5.068 1
1 853 . 14 1 1 A 73 73 LEU H H 73 7.980 8.935 -0.955 1
1 854 . 14 1 1 A 73 73 LEU HA H 73 4.280 5.042 -0.762 1
1 864 . 14 1 1 A 73 73 LEU C C 73 177.100 177.309 -0.209 1
1 865 . 14 1 1 A 73 73 LEU CA C 73 55.300 53.252 2.048 1
1 866 . 14 1 1 A 73 73 LEU CB C 73 42.200 44.312 -2.112 1
1 870 . 14 1 1 A 73 73 LEU N N 73 121.400 124.119 -2.719 1
1 871 . 14 1 1 A 74 74 LYS H H 74 8.050 8.822 -0.772 1
1 872 . 14 1 1 A 74 74 LYS HA H 74 4.300 4.258 0.042 1
1 881 . 14 1 1 A 74 74 LYS C C 74 176.100 175.576 0.524 1
1 882 . 14 1 1 A 74 74 LYS CA C 74 56.000 56.214 -0.214 1
1 883 . 14 1 1 A 74 74 LYS CB C 74 33.000 32.388 0.612 1
1 887 . 14 1 1 A 74 74 LYS N N 74 121.000 121.697 -0.697 1
1 888 . 14 1 1 A 75 75 GLU H H 75 8.360 7.905 0.455 1
1 889 . 14 1 1 A 75 75 GLU HA H 75 4.550 4.081 0.469 1
1 894 . 14 1 1 A 75 75 GLU CA C 75 54.400 56.883 -2.483 1
1 895 . 14 1 1 A 75 75 GLU CB C 75 29.600 28.064 1.536 1
1 897 . 14 1 1 A 75 75 GLU N N 75 123.800 114.782 9.018 1
1 898 . 14 1 1 A 76 76 PRO HA H 76 4.410 4.346 0.064 1
1 905 . 14 1 1 A 76 76 PRO C C 76 177.000 176.510 0.490 1
1 906 . 14 1 1 A 76 76 PRO CA C 76 63.300 65.124 -1.824 1
1 907 . 14 1 1 A 76 76 PRO CB C 76 32.000 31.951 0.049 1
1 910 . 14 1 1 A 77 77 GLU H H 77 8.580 8.320 0.260 1
1 911 . 14 1 1 A 77 77 GLU HA H 77 4.220 4.459 -0.239 1
1 916 . 14 1 1 A 77 77 GLU C C 77 176.700 175.700 1.000 1
1 917 . 14 1 1 A 77 77 GLU CA C 77 56.800 55.636 1.164 1
1 918 . 14 1 1 A 77 77 GLU CB C 77 29.900 29.270 0.630 1
1 920 . 14 1 1 A 77 77 GLU N N 77 120.800 118.130 2.670 1
1 921 . 14 1 1 A 78 78 ARG H H 78 8.330 7.918 0.412 1
1 922 . 14 1 1 A 78 78 ARG HA H 78 4.270 4.889 -0.619 1
1 925 . 14 1 1 A 78 78 ARG C C 78 176.500 175.194 1.306 1
1 926 . 14 1 1 A 78 78 ARG CA C 78 56.700 55.363 1.337 1
1 927 . 14 1 1 A 78 78 ARG CB C 78 30.600 32.372 -1.772 1
1 930 . 14 1 1 A 78 78 ARG N N 78 122.000 122.563 -0.563 1
1 931 . 14 1 1 A 79 79 GLU H H 79 8.020 8.640 -0.620 1
1 932 . 14 1 1 A 79 79 GLU HA H 79 4.230 4.486 -0.256 1
1 937 . 14 1 1 A 79 79 GLU C C 79 176.100 176.428 -0.328 1
1 938 . 14 1 1 A 79 79 GLU CA C 79 56.500 56.213 0.287 1
1 939 . 14 1 1 A 79 79 GLU CB C 79 30.200 30.856 -0.656 1
1 941 . 14 1 1 A 79 79 GLU N N 79 121.900 123.131 -1.231 1
1 942 . 14 1 1 A 80 80 ASN H H 80 8.510 8.578 -0.068 1
1 943 . 14 1 1 A 80 80 ASN HA H 80 4.690 4.685 0.005 1
1 948 . 14 1 1 A 80 80 ASN C C 80 175.400 175.383 0.017 1
1 949 . 14 1 1 A 80 80 ASN CA C 80 53.300 53.648 -0.348 1
1 950 . 14 1 1 A 80 80 ASN CB C 80 38.500 38.741 -0.241 1
1 951 . 14 1 1 A 80 80 ASN N N 80 120.000 123.480 -3.480 1
1 953 . 14 1 1 A 81 81 ARG H H 81 8.400 8.867 -0.467 1
1 954 . 14 1 1 A 81 81 ARG HA H 81 4.250 4.678 -0.428 1
1 961 . 14 1 1 A 81 81 ARG C C 81 175.600 175.878 -0.278 1
1 962 . 14 1 1 A 81 81 ARG CA C 81 56.500 55.448 1.052 1
1 963 . 14 1 1 A 81 81 ARG CB C 81 30.800 30.826 -0.026 1
1 966 . 14 1 1 A 81 81 ARG N N 81 121.900 123.293 -1.393 1
1 967 . 14 1 1 A 82 82 GLU H H 82 8.410 8.682 -0.272 1
1 968 . 14 1 1 A 82 82 GLU HA H 82 4.240 4.500 -0.260 1
1 973 . 14 1 1 A 82 82 GLU C C 82 176.400 176.445 -0.045 1
1 974 . 14 1 1 A 82 82 GLU CA C 82 56.700 55.959 0.741 1
1 975 . 14 1 1 A 82 82 GLU CB C 82 29.900 29.696 0.204 1
1 977 . 14 1 1 A 82 82 GLU N N 82 120.900 124.280 -3.380 1
1 978 . 14 1 1 A 83 83 LEU H H 83 8.120 7.278 0.842 1
1 979 . 14 1 1 A 83 83 LEU HA H 83 4.310 4.290 0.020 1
1 988 . 14 1 1 A 83 83 LEU C C 83 177.100 175.755 1.345 1
1 989 . 14 1 1 A 83 83 LEU CA C 83 55.200 54.480 0.720 1
1 990 . 14 1 1 A 83 83 LEU CB C 83 42.100 40.600 1.500 1
1 994 . 14 1 1 A 83 83 LEU N N 83 122.800 122.585 0.215 1
1 995 . 14 1 1 A 84 84 ARG H H 84 8.260 8.060 0.200 1
1 996 . 14 1 1 A 84 84 ARG HA H 84 4.340 4.795 -0.455 1
1 999 . 14 1 1 A 84 84 ARG C C 84 176.000 175.120 0.880 1
1 1000 . 14 1 1 A 84 84 ARG CA C 84 55.900 55.560 0.340 1
1 1001 . 14 1 1 A 84 84 ARG CB C 84 30.600 31.246 -0.646 1
1 1004 . 14 1 1 A 84 84 ARG N N 84 121.800 124.510 -2.710 1
1 1005 . 14 1 1 A 85 85 ARG H H 85 8.390 8.669 -0.279 1
1 1006 . 14 1 1 A 85 85 ARG HA H 85 4.390 4.507 -0.117 1
1 1009 . 14 1 1 A 85 85 ARG C C 85 176.100 175.197 0.903 1
1 1010 . 14 1 1 A 85 85 ARG CA C 85 56.000 57.701 -1.701 1
1 1011 . 14 1 1 A 85 85 ARG CB C 85 31.000 32.548 -1.548 1
1 1014 . 14 1 1 A 85 85 ARG N N 85 122.800 123.416 -0.616 1
1 1015 . 14 1 1 A 86 86 SER H H 86 8.430 7.991 0.439 1
1 1016 . 14 1 1 A 86 86 SER HA H 86 4.470 4.759 -0.289 1
1 1019 . 14 1 1 A 86 86 SER C C 86 173.300 174.322 -1.022 1
1 1020 . 14 1 1 A 86 86 SER CA C 86 58.200 56.836 1.364 1
1 1021 . 14 1 1 A 86 86 SER CB C 86 64.000 63.118 0.882 1
1 1022 . 14 1 1 A 86 86 SER N N 86 117.500 113.860 3.640 1
1 1023 . 14 1 1 A 87 87 ASN H H 87 8.120 8.670 -0.550 1
1 1024 . 14 1 1 A 87 87 ASN HA H 87 4.470 5.014 -0.544 1
1 1029 . 14 1 1 A 87 87 ASN CA C 87 54.800 53.188 1.612 1
1 1030 . 14 1 1 A 87 87 ASN CB C 87 40.100 39.116 0.984 1
1 1031 . 14 1 1 A 87 87 ASN N N 87 125.900 124.390 1.510 1
1 1033 . 14 1 1 A 88 88 ASP HA H 88 4.640 4.734 -0.094 1
1 1036 . 14 1 1 A 88 88 ASP C C 88 175.700 174.881 0.819 1
1 1037 . 14 1 1 A 88 88 ASP CA C 88 54.500 53.920 0.580 1
1 1038 . 14 1 1 A 88 88 ASP CB C 88 41.100 40.737 0.363 1
1 1039 . 14 1 1 A 89 89 ILE H H 89 8.000 7.885 0.115 1
1 1040 . 14 1 1 A 89 89 ILE HA H 89 4.160 3.959 0.201 1
1 1050 . 14 1 1 A 89 89 ILE C C 89 175.200 175.179 0.021 1
1 1051 . 14 1 1 A 89 89 ILE CA C 89 61.100 61.538 -0.438 1
1 1052 . 14 1 1 A 89 89 ILE CB C 89 38.500 37.231 1.269 1
1 1056 . 14 1 1 A 89 89 ILE N N 89 120.400 116.090 4.310 1
1 1057 . 14 1 1 A 90 90 LEU H H 90 7.880 8.429 -0.549 1
1 1058 . 14 1 1 A 90 90 LEU HA H 90 4.190 4.242 -0.052 1
1 1067 . 14 1 1 A 90 90 LEU CA C 90 56.700 55.213 1.487 1
1 1068 . 14 1 1 A 90 90 LEU CB C 90 43.300 40.313 2.987 1
1 1072 . 14 1 1 A 90 90 LEU N N 90 131.900 127.538 4.362 1
1 1073 . 14 1 1 A 93 93 ALA HA H 93 4.370 4.013 0.357 1
1 1077 . 14 1 1 A 93 93 ALA C C 93 176.600 177.207 -0.607 1
1 1078 . 14 1 1 A 93 93 ALA CA C 93 52.300 54.428 -2.128 1
1 1079 . 14 1 1 A 93 93 ALA CB C 93 19.200 17.740 1.460 1
1 1080 . 14 1 1 A 94 94 SER H H 94 7.910 8.034 -0.124 1
1 1081 . 14 1 1 A 94 94 SER HA H 94 4.250 4.522 -0.272 1
1 1084 . 14 1 1 A 94 94 SER CA C 94 59.900 58.994 0.906 1
1 1085 . 14 1 1 A 94 94 SER CB C 94 64.700 64.670 0.030 1
1 1 . 15 1 1 A 2 2 THR HA H 2 4.360 4.351 0.009 1
1 6 . 15 1 1 A 2 2 THR C C 2 174.300 174.437 -0.137 1
1 7 . 15 1 1 A 2 2 THR CA C 2 61.900 62.405 -0.505 1
1 8 . 15 1 1 A 2 2 THR CB C 2 69.900 67.124 2.776 1
1 10 . 15 1 1 A 3 3 LYS H H 3 8.520 8.458 0.062 1
1 11 . 15 1 1 A 3 3 LYS HA H 3 4.320 4.562 -0.242 1
1 20 . 15 1 1 A 3 3 LYS C C 3 176.100 175.614 0.486 1
1 21 . 15 1 1 A 3 3 LYS CA C 3 56.400 57.680 -1.280 1
1 22 . 15 1 1 A 3 3 LYS CB C 3 33.000 34.992 -1.992 1
1 26 . 15 1 1 A 3 3 LYS N N 3 124.100 127.832 -3.732 1
1 27 . 15 1 1 A 4 4 ASN H H 4 8.560 8.002 0.558 1
1 28 . 15 1 1 A 4 4 ASN HA H 4 4.760 4.989 -0.229 1
1 33 . 15 1 1 A 4 4 ASN C C 4 175.200 174.035 1.165 1
1 34 . 15 1 1 A 4 4 ASN CA C 4 53.300 52.181 1.119 1
1 35 . 15 1 1 A 4 4 ASN CB C 4 38.900 39.022 -0.122 1
1 36 . 15 1 1 A 4 4 ASN N N 4 120.200 118.013 2.187 1
1 38 . 15 1 1 A 5 5 THR H H 5 8.130 8.954 -0.824 1
1 39 . 15 1 1 A 5 5 THR HA H 5 4.310 4.956 -0.646 1
1 44 . 15 1 1 A 5 5 THR C C 5 173.900 173.577 0.323 1
1 45 . 15 1 1 A 5 5 THR CA C 5 61.800 61.875 -0.075 1
1 46 . 15 1 1 A 5 5 THR CB C 5 69.500 69.465 0.035 1
1 48 . 15 1 1 A 5 5 THR N N 5 114.900 120.248 -5.348 1
1 49 . 15 1 1 A 6 6 ARG H H 6 8.160 8.975 -0.815 1
1 50 . 15 1 1 A 6 6 ARG HA H 6 4.300 4.897 -0.597 1
1 57 . 15 1 1 A 6 6 ARG C C 6 176.300 175.179 1.121 1
1 58 . 15 1 1 A 6 6 ARG CA C 6 56.300 53.641 2.659 1
1 59 . 15 1 1 A 6 6 ARG CB C 6 30.700 32.965 -2.265 1
1 62 . 15 1 1 A 6 6 ARG N N 6 123.600 123.666 -0.066 1
1 63 . 15 1 1 A 7 7 PHE H H 7 8.460 8.656 -0.196 1
1 64 . 15 1 1 A 7 7 PHE HA H 7 4.760 4.837 -0.077 1
1 72 . 15 1 1 A 7 7 PHE C C 7 175.000 175.700 -0.700 1
1 73 . 15 1 1 A 7 7 PHE CA C 7 56.700 58.002 -1.302 1
1 74 . 15 1 1 A 7 7 PHE CB C 7 40.300 39.998 0.302 1
1 80 . 15 1 1 A 7 7 PHE N N 7 121.500 118.247 3.253 1
1 81 . 15 1 1 A 8 8 SER H H 8 8.520 8.800 -0.280 1
1 82 . 15 1 1 A 8 8 SER HA H 8 4.600 4.501 0.099 1
1 85 . 15 1 1 A 8 8 SER CA C 8 56.700 57.439 -0.739 1
1 86 . 15 1 1 A 8 8 SER CB C 8 62.600 63.098 -0.498 1
1 87 . 15 1 1 A 8 8 SER N N 8 121.500 120.090 1.410 1
1 88 . 15 1 1 A 9 9 PRO HA H 9 3.920 4.230 -0.310 1
1 95 . 15 1 1 A 9 9 PRO C C 9 178.500 178.626 -0.126 1
1 96 . 15 1 1 A 9 9 PRO CA C 9 65.800 65.128 0.672 1
1 97 . 15 1 1 A 9 9 PRO CB C 9 31.500 31.855 -0.355 1
1 100 . 15 1 1 A 10 10 GLU H H 10 8.610 8.320 0.290 1
1 101 . 15 1 1 A 10 10 GLU HA H 10 3.990 4.027 -0.037 1
1 106 . 15 1 1 A 10 10 GLU C C 10 179.100 179.230 -0.130 1
1 107 . 15 1 1 A 10 10 GLU CA C 10 60.000 59.483 0.517 1
1 108 . 15 1 1 A 10 10 GLU CB C 10 28.800 29.402 -0.602 1
1 110 . 15 1 1 A 10 10 GLU N N 10 116.600 117.783 -1.183 1
1 111 . 15 1 1 A 11 11 VAL H H 11 7.510 7.815 -0.305 1
1 112 . 15 1 1 A 11 11 VAL HA H 11 3.610 3.379 0.231 1
1 120 . 15 1 1 A 11 11 VAL C C 11 177.700 178.014 -0.314 1
1 121 . 15 1 1 A 11 11 VAL CA C 11 66.400 66.480 -0.080 1
1 122 . 15 1 1 A 11 11 VAL CB C 11 31.600 31.192 0.408 1
1 125 . 15 1 1 A 11 11 VAL N N 11 122.700 120.901 1.799 1
1 126 . 15 1 1 A 12 12 ARG H H 12 7.800 7.879 -0.079 1
1 127 . 15 1 1 A 12 12 ARG HA H 12 3.440 2.991 0.449 1
1 135 . 15 1 1 A 12 12 ARG C C 12 178.000 178.507 -0.507 1
1 136 . 15 1 1 A 12 12 ARG CA C 12 59.300 59.320 -0.020 1
1 137 . 15 1 1 A 12 12 ARG CB C 12 29.600 29.285 0.315 1
1 140 . 15 1 1 A 12 12 ARG N N 12 118.700 119.458 -0.758 1
1 142 . 15 1 1 A 13 13 GLN H H 13 8.050 8.093 -0.043 1
1 143 . 15 1 1 A 13 13 GLN HA H 13 3.860 3.863 -0.003 1
1 150 . 15 1 1 A 13 13 GLN C C 13 178.800 178.364 0.436 1
1 151 . 15 1 1 A 13 13 GLN CA C 13 58.600 58.943 -0.343 1
1 152 . 15 1 1 A 13 13 GLN CB C 13 28.300 28.231 0.069 1
1 154 . 15 1 1 A 13 13 GLN N N 13 116.100 119.187 -3.087 1
1 156 . 15 1 1 A 14 14 ARG H H 14 7.750 7.858 -0.108 1
1 157 . 15 1 1 A 14 14 ARG HA H 14 3.970 4.017 -0.047 1
1 164 . 15 1 1 A 14 14 ARG C C 14 177.900 178.478 -0.578 1
1 165 . 15 1 1 A 14 14 ARG CA C 14 59.100 59.015 0.085 1
1 166 . 15 1 1 A 14 14 ARG CB C 14 30.000 30.201 -0.201 1
1 169 . 15 1 1 A 14 14 ARG N N 14 120.400 118.773 1.627 1
1 170 . 15 1 1 A 15 15 ALA H H 15 8.500 7.970 0.530 1
1 171 . 15 1 1 A 15 15 ALA HA H 15 4.040 4.068 -0.028 1
1 175 . 15 1 1 A 15 15 ALA C C 15 178.800 179.991 -1.191 1
1 176 . 15 1 1 A 15 15 ALA CA C 15 55.300 55.168 0.132 1
1 177 . 15 1 1 A 15 15 ALA CB C 15 19.700 18.797 0.903 1
1 178 . 15 1 1 A 15 15 ALA N N 15 122.200 121.525 0.675 1
1 179 . 15 1 1 A 16 16 VAL H H 16 8.230 7.863 0.367 1
1 180 . 15 1 1 A 16 16 VAL HA H 16 3.360 3.391 -0.031 1
1 188 . 15 1 1 A 16 16 VAL C C 16 177.700 177.964 -0.264 1
1 189 . 15 1 1 A 16 16 VAL CA C 16 67.100 66.871 0.229 1
1 190 . 15 1 1 A 16 16 VAL CB C 16 31.600 31.323 0.277 1
1 193 . 15 1 1 A 16 16 VAL N N 16 116.500 117.907 -1.407 1
1 194 . 15 1 1 A 17 17 ARG H H 17 7.900 7.692 0.208 1
1 195 . 15 1 1 A 17 17 ARG HA H 17 3.830 3.816 0.014 1
1 202 . 15 1 1 A 17 17 ARG C C 17 178.000 178.314 -0.314 1
1 203 . 15 1 1 A 17 17 ARG CA C 17 59.700 59.724 -0.024 1
1 204 . 15 1 1 A 17 17 ARG CB C 17 29.200 29.969 -0.769 1
1 207 . 15 1 1 A 17 17 ARG N N 17 119.000 120.182 -1.182 1
1 208 . 15 1 1 A 18 18 MET H H 18 8.210 7.888 0.322 1
1 209 . 15 1 1 A 18 18 MET HA H 18 4.090 4.235 -0.145 1
1 217 . 15 1 1 A 18 18 MET C C 18 179.400 178.314 1.086 1
1 218 . 15 1 1 A 18 18 MET CA C 18 59.500 58.176 1.324 1
1 219 . 15 1 1 A 18 18 MET CB C 18 33.600 32.192 1.408 1
1 222 . 15 1 1 A 18 18 MET N N 18 117.300 119.269 -1.969 1
1 223 . 15 1 1 A 19 19 VAL H H 19 7.790 7.968 -0.178 1
1 224 . 15 1 1 A 19 19 VAL HA H 19 3.390 3.562 -0.172 1
1 232 . 15 1 1 A 19 19 VAL C C 19 177.200 178.025 -0.825 1
1 233 . 15 1 1 A 19 19 VAL CA C 19 66.100 66.750 -0.650 1
1 234 . 15 1 1 A 19 19 VAL CB C 19 31.600 31.649 -0.049 1
1 237 . 15 1 1 A 19 19 VAL N N 19 119.900 119.500 0.400 1
1 238 . 15 1 1 A 20 20 LEU H H 20 8.280 8.368 -0.088 1
1 239 . 15 1 1 A 20 20 LEU HA H 20 4.070 3.891 0.179 1
1 249 . 15 1 1 A 20 20 LEU C C 20 180.600 178.922 1.678 1
1 250 . 15 1 1 A 20 20 LEU CA C 20 57.900 58.179 -0.279 1
1 251 . 15 1 1 A 20 20 LEU CB C 20 40.800 41.035 -0.235 1
1 255 . 15 1 1 A 20 20 LEU N N 20 118.400 118.709 -0.309 1
1 256 . 15 1 1 A 21 21 GLU H H 21 8.690 8.625 0.065 1
1 257 . 15 1 1 A 21 21 GLU HA H 21 4.230 4.007 0.223 1
1 262 . 15 1 1 A 21 21 GLU C C 21 178.200 178.899 -0.699 1
1 263 . 15 1 1 A 21 21 GLU CA C 21 57.900 59.723 -1.823 1
1 264 . 15 1 1 A 21 21 GLU CB C 21 29.700 29.474 0.226 1
1 266 . 15 1 1 A 21 21 GLU N N 21 115.900 120.674 -4.774 1
1 267 . 15 1 1 A 22 22 SER H H 22 7.580 8.115 -0.535 1
1 268 . 15 1 1 A 22 22 SER HA H 22 4.790 4.377 0.413 1
1 271 . 15 1 1 A 22 22 SER C C 22 175.200 176.557 -1.357 1
1 272 . 15 1 1 A 22 22 SER CA C 22 59.500 61.243 -1.743 1
1 273 . 15 1 1 A 22 22 SER CB C 22 64.500 63.431 1.069 1
1 274 . 15 1 1 A 22 22 SER N N 22 113.000 117.563 -4.563 1
1 275 . 15 1 1 A 23 23 GLN H H 23 7.780 8.532 -0.752 1
1 276 . 15 1 1 A 23 23 GLN HA H 23 4.800 4.149 0.651 1
1 283 . 15 1 1 A 23 23 GLN C C 23 177.100 178.093 -0.993 1
1 284 . 15 1 1 A 23 23 GLN CA C 23 57.800 59.351 -1.551 1
1 285 . 15 1 1 A 23 23 GLN CB C 23 28.100 28.742 -0.642 1
1 287 . 15 1 1 A 23 23 GLN N N 23 119.900 122.324 -2.424 1
1 289 . 15 1 1 A 24 24 GLY H H 24 8.680 8.041 0.639 1
1 290 . 15 1 1 A 24 24 GLY HA2 H 24 3.860 3.958 -0.098 1
1 291 . 15 1 1 A 24 24 GLY HA3 H 24 4.110 3.961 0.149 1
1 292 . 15 1 1 A 24 24 GLY C C 24 175.100 174.785 0.315 1
1 293 . 15 1 1 A 24 24 GLY CA C 24 45.900 45.938 -0.038 1
1 294 . 15 1 1 A 24 24 GLY N N 24 108.500 106.954 1.546 1
1 295 . 15 1 1 A 25 25 GLU H H 25 8.110 8.213 -0.103 1
1 296 . 15 1 1 A 25 25 GLU HA H 25 4.210 4.538 -0.328 1
1 301 . 15 1 1 A 25 25 GLU C C 25 175.400 176.130 -0.730 1
1 302 . 15 1 1 A 25 25 GLU CA C 25 56.100 57.631 -1.531 1
1 303 . 15 1 1 A 25 25 GLU CB C 25 29.700 32.102 -2.402 1
1 305 . 15 1 1 A 25 25 GLU N N 25 118.200 119.479 -1.279 1
1 306 . 15 1 1 A 26 26 TYR H H 26 7.690 8.046 -0.356 1
1 307 . 15 1 1 A 26 26 TYR HA H 26 4.690 4.569 0.121 1
1 314 . 15 1 1 A 26 26 TYR C C 26 175.800 176.111 -0.311 1
1 315 . 15 1 1 A 26 26 TYR CA C 26 57.000 58.897 -1.897 1
1 316 . 15 1 1 A 26 26 TYR CB C 26 42.200 38.926 3.274 1
1 321 . 15 1 1 A 26 26 TYR N N 26 117.700 118.300 -0.600 1
1 322 . 15 1 1 A 27 27 ASP H H 27 8.850 8.991 -0.141 1
1 323 . 15 1 1 A 27 27 ASP HA H 27 4.520 4.611 -0.091 1
1 326 . 15 1 1 A 27 27 ASP C C 27 175.900 175.307 0.593 1
1 327 . 15 1 1 A 27 27 ASP CA C 27 55.400 54.622 0.778 1
1 328 . 15 1 1 A 27 27 ASP CB C 27 41.200 41.487 -0.287 1
1 329 . 15 1 1 A 27 27 ASP N N 27 117.500 121.827 -4.327 1
1 330 . 15 1 1 A 28 28 SER H H 28 7.550 7.844 -0.294 1
1 331 . 15 1 1 A 28 28 SER HA H 28 4.740 4.728 0.012 1
1 334 . 15 1 1 A 28 28 SER CA C 28 57.200 56.674 0.526 1
1 335 . 15 1 1 A 28 28 SER CB C 28 65.800 64.679 1.121 1
1 336 . 15 1 1 A 28 28 SER N N 28 109.000 115.504 -6.504 1
1 337 . 15 1 1 A 29 29 GLN HA H 29 3.950 3.858 0.092 1
1 344 . 15 1 1 A 29 29 GLN C C 29 178.100 177.415 0.685 1
1 345 . 15 1 1 A 29 29 GLN CA C 29 60.200 58.644 1.556 1
1 346 . 15 1 1 A 29 29 GLN CB C 29 29.900 27.831 2.069 1
1 349 . 15 1 1 A 30 30 TRP H H 30 9.010 7.930 1.080 1
1 350 . 15 1 1 A 30 30 TRP HA H 30 4.720 4.372 0.348 1
1 359 . 15 1 1 A 30 30 TRP C C 30 177.100 178.961 -1.861 1
1 360 . 15 1 1 A 30 30 TRP CA C 30 59.300 60.038 -0.738 1
1 361 . 15 1 1 A 30 30 TRP CB C 30 30.000 29.643 0.357 1
1 367 . 15 1 1 A 30 30 TRP N N 30 121.400 120.815 0.585 1
1 369 . 15 1 1 A 31 31 ALA H H 31 8.360 8.345 0.015 1
1 370 . 15 1 1 A 31 31 ALA HA H 31 3.790 4.016 -0.226 1
1 374 . 15 1 1 A 31 31 ALA C C 31 180.300 180.000 0.300 1
1 375 . 15 1 1 A 31 31 ALA CA C 31 55.300 55.179 0.121 1
1 376 . 15 1 1 A 31 31 ALA CB C 31 18.200 17.986 0.214 1
1 377 . 15 1 1 A 31 31 ALA N N 31 121.600 122.236 -0.636 1
1 378 . 15 1 1 A 32 32 THR H H 32 7.420 7.270 0.150 1
1 379 . 15 1 1 A 32 32 THR HA H 32 2.620 3.594 -0.974 1
1 384 . 15 1 1 A 32 32 THR C C 32 176.700 176.536 0.164 1
1 385 . 15 1 1 A 32 32 THR CA C 32 66.200 66.465 -0.265 1
1 386 . 15 1 1 A 32 32 THR CB C 32 67.800 68.126 -0.326 1
1 388 . 15 1 1 A 32 32 THR N N 32 115.700 114.136 1.564 1
1 389 . 15 1 1 A 33 33 ILE H H 33 8.490 8.030 0.460 1
1 390 . 15 1 1 A 33 33 ILE HA H 33 3.180 3.487 -0.307 1
1 400 . 15 1 1 A 33 33 ILE C C 33 177.300 177.995 -0.695 1
1 401 . 15 1 1 A 33 33 ILE CA C 33 65.900 65.482 0.418 1
1 402 . 15 1 1 A 33 33 ILE CB C 33 37.700 37.847 -0.147 1
1 406 . 15 1 1 A 33 33 ILE N N 33 124.100 120.951 3.149 1
1 407 . 15 1 1 A 34 34 CYS H H 34 8.060 8.253 -0.193 1
1 408 . 15 1 1 A 34 34 CYS HA H 34 3.610 4.228 -0.618 1
1 411 . 15 1 1 A 34 34 CYS C C 34 175.800 176.022 -0.222 1
1 412 . 15 1 1 A 34 34 CYS CA C 34 63.800 61.101 2.699 1
1 413 . 15 1 1 A 34 34 CYS CB C 34 26.400 26.512 -0.112 1
1 414 . 15 1 1 A 34 34 CYS N N 34 115.900 118.762 -2.862 1
1 415 . 15 1 1 A 35 35 SER H H 35 7.150 7.740 -0.590 1
1 416 . 15 1 1 A 35 35 SER HA H 35 4.260 4.509 -0.249 1
1 419 . 15 1 1 A 35 35 SER C C 35 175.500 176.583 -1.083 1
1 420 . 15 1 1 A 35 35 SER CA C 35 60.200 60.245 -0.045 1
1 421 . 15 1 1 A 35 35 SER CB C 35 63.600 63.836 -0.236 1
1 422 . 15 1 1 A 35 35 SER N N 35 113.600 113.848 -0.248 1
1 423 . 15 1 1 A 36 36 ILE H H 36 7.650 7.949 -0.299 1
1 424 . 15 1 1 A 36 36 ILE HA H 36 3.850 3.835 0.015 1
1 434 . 15 1 1 A 36 36 ILE C C 36 176.900 177.802 -0.902 1
1 435 . 15 1 1 A 36 36 ILE CA C 36 61.700 64.397 -2.697 1
1 436 . 15 1 1 A 36 36 ILE CB C 36 37.700 36.756 0.944 1
1 440 . 15 1 1 A 36 36 ILE N N 36 120.700 122.582 -1.882 1
1 441 . 15 1 1 A 37 37 ALA H H 37 8.200 8.429 -0.229 1
1 442 . 15 1 1 A 37 37 ALA HA H 37 3.860 4.030 -0.170 1
1 446 . 15 1 1 A 37 37 ALA CA C 37 57.400 57.142 0.258 1
1 447 . 15 1 1 A 37 37 ALA CB C 37 14.900 17.119 -2.219 1
1 448 . 15 1 1 A 37 37 ALA N N 37 122.200 123.315 -1.115 1
1 449 . 15 1 1 A 38 38 PRO HA H 38 4.470 4.391 0.079 1
1 456 . 15 1 1 A 38 38 PRO C C 38 178.800 178.660 0.140 1
1 457 . 15 1 1 A 38 38 PRO CA C 38 65.600 64.684 0.916 1
1 458 . 15 1 1 A 38 38 PRO CB C 38 31.000 31.416 -0.416 1
1 461 . 15 1 1 A 39 39 LYS H H 39 7.680 7.746 -0.066 1
1 462 . 15 1 1 A 39 39 LYS HA H 39 4.150 4.080 0.070 1
1 471 . 15 1 1 A 39 39 LYS C C 39 177.800 178.915 -1.115 1
1 472 . 15 1 1 A 39 39 LYS CA C 39 58.000 59.308 -1.308 1
1 473 . 15 1 1 A 39 39 LYS CB C 39 31.800 32.222 -0.422 1
1 477 . 15 1 1 A 39 39 LYS N N 39 115.500 118.232 -2.732 1
1 478 . 15 1 1 A 40 40 ILE H H 40 7.540 7.759 -0.219 1
1 479 . 15 1 1 A 40 40 ILE HA H 40 4.130 4.010 0.120 1
1 489 . 15 1 1 A 40 40 ILE C C 40 176.500 176.286 0.214 1
1 490 . 15 1 1 A 40 40 ILE CA C 40 59.600 63.014 -3.414 1
1 491 . 15 1 1 A 40 40 ILE CB C 40 37.300 38.630 -1.330 1
1 495 . 15 1 1 A 40 40 ILE N N 40 117.500 117.389 0.111 1
1 496 . 15 1 1 A 41 41 GLY H H 41 8.430 8.457 -0.027 1
1 497 . 15 1 1 A 41 41 GLY HA2 H 41 4.550 4.039 0.511 1
1 498 . 15 1 1 A 41 41 GLY HA3 H 41 3.790 4.045 -0.255 1
1 499 . 15 1 1 A 41 41 GLY C C 41 173.900 173.688 0.212 1
1 500 . 15 1 1 A 41 41 GLY CA C 41 44.900 45.839 -0.939 1
1 501 . 15 1 1 A 41 41 GLY N N 41 105.100 108.057 -2.957 1
1 502 . 15 1 1 A 42 42 CYS H H 42 7.360 7.959 -0.599 1
1 503 . 15 1 1 A 42 42 CYS HA H 42 5.220 4.986 0.234 1
1 506 . 15 1 1 A 42 42 CYS C C 42 173.100 173.443 -0.343 1
1 507 . 15 1 1 A 42 42 CYS CA C 42 53.300 58.010 -4.710 1
1 508 . 15 1 1 A 42 42 CYS CB C 42 31.700 32.664 -0.964 1
1 509 . 15 1 1 A 42 42 CYS N N 42 115.400 118.599 -3.199 1
1 510 . 15 1 1 A 43 43 THR H H 43 8.550 8.540 0.010 1
1 511 . 15 1 1 A 43 43 THR HA H 43 4.560 4.691 -0.131 1
1 516 . 15 1 1 A 43 43 THR CA C 43 59.800 60.192 -0.392 1
1 517 . 15 1 1 A 43 43 THR CB C 43 68.500 68.863 -0.363 1
1 519 . 15 1 1 A 43 43 THR N N 43 111.500 114.344 -2.844 1
1 520 . 15 1 1 A 44 44 PRO HA H 44 3.680 4.164 -0.484 1
1 527 . 15 1 1 A 44 44 PRO C C 44 177.300 178.458 -1.158 1
1 528 . 15 1 1 A 44 44 PRO CA C 44 65.200 65.666 -0.466 1
1 529 . 15 1 1 A 44 44 PRO CB C 44 32.400 31.739 0.661 1
1 532 . 15 1 1 A 45 45 GLU H H 45 8.900 8.999 -0.099 1
1 533 . 15 1 1 A 45 45 GLU HA H 45 3.990 4.039 -0.049 1
1 538 . 15 1 1 A 45 45 GLU C C 45 179.000 178.814 0.186 1
1 539 . 15 1 1 A 45 45 GLU CA C 45 61.300 58.744 2.556 1
1 540 . 15 1 1 A 45 45 GLU CB C 45 28.200 28.610 -0.410 1
1 542 . 15 1 1 A 45 45 GLU N N 45 117.100 116.647 0.453 1
1 543 . 15 1 1 A 46 46 THR H H 46 7.680 7.613 0.067 1
1 544 . 15 1 1 A 46 46 THR HA H 46 3.560 3.699 -0.139 1
1 549 . 15 1 1 A 46 46 THR C C 46 173.800 175.739 -1.939 1
1 550 . 15 1 1 A 46 46 THR CA C 46 66.300 66.721 -0.421 1
1 551 . 15 1 1 A 46 46 THR CB C 46 68.000 67.494 0.506 1
1 553 . 15 1 1 A 46 46 THR N N 46 118.800 116.950 1.850 1
1 554 . 15 1 1 A 47 47 LEU H H 47 7.040 8.068 -1.028 1
1 555 . 15 1 1 A 47 47 LEU HA H 47 3.170 3.795 -0.625 1
1 565 . 15 1 1 A 47 47 LEU C C 47 177.500 178.419 -0.919 1
1 566 . 15 1 1 A 47 47 LEU CA C 47 56.800 57.893 -1.093 1
1 567 . 15 1 1 A 47 47 LEU CB C 47 40.500 41.635 -1.135 1
1 571 . 15 1 1 A 47 47 LEU N N 47 120.600 120.857 -0.257 1
1 572 . 15 1 1 A 48 48 ARG H H 48 8.430 7.988 0.442 1
1 573 . 15 1 1 A 48 48 ARG HA H 48 3.880 3.921 -0.041 1
1 580 . 15 1 1 A 48 48 ARG C C 48 177.400 178.559 -1.159 1
1 581 . 15 1 1 A 48 48 ARG CA C 48 60.200 58.906 1.294 1
1 582 . 15 1 1 A 48 48 ARG CB C 48 30.500 29.546 0.954 1
1 585 . 15 1 1 A 48 48 ARG N N 48 118.200 119.525 -1.325 1
1 586 . 15 1 1 A 49 49 VAL H H 49 7.400 7.634 -0.234 1
1 587 . 15 1 1 A 49 49 VAL HA H 49 3.630 3.613 0.017 1
1 595 . 15 1 1 A 49 49 VAL C C 49 178.900 178.245 0.655 1
1 596 . 15 1 1 A 49 49 VAL CA C 49 67.200 66.385 0.815 1
1 597 . 15 1 1 A 49 49 VAL CB C 49 30.700 31.464 -0.764 1
1 600 . 15 1 1 A 49 49 VAL N N 49 120.300 119.244 1.056 1
1 601 . 15 1 1 A 50 50 TRP H H 50 7.850 7.627 0.223 1
1 602 . 15 1 1 A 50 50 TRP HA H 50 4.740 4.416 0.324 1
1 611 . 15 1 1 A 50 50 TRP C C 50 180.400 178.978 1.422 1
1 612 . 15 1 1 A 50 50 TRP CA C 50 57.800 60.341 -2.541 1
1 613 . 15 1 1 A 50 50 TRP CB C 50 28.700 29.479 -0.779 1
1 619 . 15 1 1 A 50 50 TRP N N 50 120.300 119.895 0.405 1
1 621 . 15 1 1 A 51 51 VAL H H 51 8.820 8.208 0.612 1
1 622 . 15 1 1 A 51 51 VAL HA H 51 3.690 3.663 0.027 1
1 630 . 15 1 1 A 51 51 VAL C C 51 177.700 177.855 -0.155 1
1 631 . 15 1 1 A 51 51 VAL CA C 51 66.800 66.714 0.086 1
1 632 . 15 1 1 A 51 51 VAL CB C 51 32.000 31.482 0.518 1
1 635 . 15 1 1 A 51 51 VAL N N 51 121.300 119.942 1.358 1
1 636 . 15 1 1 A 52 52 ARG H H 52 8.740 8.370 0.370 1
1 637 . 15 1 1 A 52 52 ARG HA H 52 4.260 3.933 0.327 1
1 644 . 15 1 1 A 52 52 ARG C C 52 179.500 178.969 0.531 1
1 645 . 15 1 1 A 52 52 ARG CA C 52 58.900 60.117 -1.217 1
1 646 . 15 1 1 A 52 52 ARG CB C 52 29.900 29.868 0.032 1
1 649 . 15 1 1 A 52 52 ARG N N 52 120.200 119.333 0.867 1
1 650 . 15 1 1 A 53 53 GLN H H 53 8.540 8.229 0.311 1
1 651 . 15 1 1 A 53 53 GLN HA H 53 4.050 4.120 -0.070 1
1 658 . 15 1 1 A 53 53 GLN C C 53 177.600 178.416 -0.816 1
1 659 . 15 1 1 A 53 53 GLN CA C 53 58.700 58.866 -0.166 1
1 660 . 15 1 1 A 53 53 GLN CB C 53 28.100 28.677 -0.577 1
1 662 . 15 1 1 A 53 53 GLN N N 53 119.100 119.793 -0.693 1
1 664 . 15 1 1 A 54 54 HIS H H 54 8.010 8.495 -0.485 1
1 665 . 15 1 1 A 54 54 HIS HA H 54 4.410 4.359 0.051 1
1 668 . 15 1 1 A 54 54 HIS C C 54 177.800 177.242 0.558 1
1 669 . 15 1 1 A 54 54 HIS CA C 54 59.700 60.169 -0.469 1
1 670 . 15 1 1 A 54 54 HIS CB C 54 30.600 29.474 1.126 1
1 671 . 15 1 1 A 54 54 HIS N N 54 119.300 119.896 -0.596 1
1 672 . 15 1 1 A 55 55 GLU H H 55 8.460 8.160 0.300 1
1 673 . 15 1 1 A 55 55 GLU HA H 55 3.940 3.829 0.111 1
1 678 . 15 1 1 A 55 55 GLU C C 55 178.400 178.511 -0.111 1
1 679 . 15 1 1 A 55 55 GLU CA C 55 58.800 59.418 -0.618 1
1 680 . 15 1 1 A 55 55 GLU CB C 55 29.800 29.405 0.395 1
1 682 . 15 1 1 A 55 55 GLU N N 55 119.700 118.945 0.755 1
1 683 . 15 1 1 A 56 56 ARG H H 56 7.990 7.694 0.296 1
1 684 . 15 1 1 A 56 56 ARG HA H 56 4.160 4.100 0.060 1
1 691 . 15 1 1 A 56 56 ARG C C 56 177.800 178.332 -0.532 1
1 692 . 15 1 1 A 56 56 ARG CA C 56 58.100 58.635 -0.535 1
1 693 . 15 1 1 A 56 56 ARG CB C 56 30.100 29.608 0.492 1
1 696 . 15 1 1 A 56 56 ARG N N 56 119.200 119.940 -0.740 1
1 697 . 15 1 1 A 57 57 ASP H H 57 8.300 8.526 -0.226 1
1 698 . 15 1 1 A 57 57 ASP HA H 57 4.550 4.388 0.162 1
1 701 . 15 1 1 A 57 57 ASP C C 57 177.400 177.071 0.329 1
1 702 . 15 1 1 A 57 57 ASP CA C 57 55.800 56.980 -1.180 1
1 703 . 15 1 1 A 57 57 ASP CB C 57 40.800 40.580 0.220 1
1 704 . 15 1 1 A 57 57 ASP N N 57 120.000 120.017 -0.017 1
1 705 . 15 1 1 A 58 58 THR H H 58 7.890 8.187 -0.297 1
1 706 . 15 1 1 A 58 58 THR HA H 58 4.310 4.329 -0.019 1
1 711 . 15 1 1 A 58 58 THR C C 58 175.500 173.617 1.883 1
1 712 . 15 1 1 A 58 58 THR CA C 58 62.200 61.111 1.089 1
1 713 . 15 1 1 A 58 58 THR CB C 58 69.800 66.843 2.957 1
1 715 . 15 1 1 A 58 58 THR N N 58 111.300 112.978 -1.678 1
1 716 . 15 1 1 A 59 59 GLY H H 59 8.070 8.156 -0.086 1
1 717 . 15 1 1 A 59 59 GLY HA2 H 59 4.010 4.022 -0.012 1
1 718 . 15 1 1 A 59 59 GLY HA3 H 59 4.010 4.031 -0.021 1
1 719 . 15 1 1 A 59 59 GLY C C 59 174.700 174.676 0.024 1
1 720 . 15 1 1 A 59 59 GLY CA C 59 45.600 44.301 1.299 1
1 721 . 15 1 1 A 59 59 GLY N N 59 110.600 113.453 -2.853 1
1 722 . 15 1 1 A 60 60 GLY H H 60 8.260 8.739 -0.479 1
1 723 . 15 1 1 A 60 60 GLY HA2 H 60 3.990 3.866 0.124 1
1 724 . 15 1 1 A 60 60 GLY HA3 H 60 3.990 3.868 0.122 1
1 725 . 15 1 1 A 60 60 GLY C C 60 173.900 173.844 0.056 1
1 726 . 15 1 1 A 60 60 GLY CA C 60 45.100 46.399 -1.299 1
1 727 . 15 1 1 A 60 60 GLY N N 60 108.700 109.526 -0.826 1
1 728 . 15 1 1 A 61 61 ASP H H 61 8.320 7.652 0.668 1
1 729 . 15 1 1 A 61 61 ASP HA H 61 4.650 5.031 -0.381 1
1 732 . 15 1 1 A 61 61 ASP C C 61 176.200 175.978 0.222 1
1 733 . 15 1 1 A 61 61 ASP CA C 61 54.200 52.934 1.266 1
1 734 . 15 1 1 A 61 61 ASP CB C 61 41.300 43.162 -1.862 1
1 735 . 15 1 1 A 61 61 ASP N N 61 120.500 119.162 1.338 1
1 736 . 15 1 1 A 62 62 ASP H H 62 8.400 8.409 -0.009 1
1 737 . 15 1 1 A 62 62 ASP HA H 62 4.600 4.867 -0.267 1
1 740 . 15 1 1 A 62 62 ASP C C 62 177.100 176.482 0.618 1
1 741 . 15 1 1 A 62 62 ASP CA C 62 54.200 54.010 0.190 1
1 742 . 15 1 1 A 62 62 ASP CB C 62 41.100 41.287 -0.187 1
1 743 . 15 1 1 A 62 62 ASP N N 62 121.100 119.022 2.078 1
1 744 . 15 1 1 A 63 63 GLY H H 63 8.500 7.869 0.631 1
1 745 . 15 1 1 A 63 63 GLY HA2 H 63 3.950 3.789 0.161 1
1 746 . 15 1 1 A 63 63 GLY HA3 H 63 3.950 3.794 0.156 1
1 747 . 15 1 1 A 63 63 GLY C C 63 175.000 175.420 -0.420 1
1 748 . 15 1 1 A 63 63 GLY CA C 63 45.700 46.517 -0.817 1
1 749 . 15 1 1 A 63 63 GLY N N 63 109.400 107.936 1.464 1
1 750 . 15 1 1 A 64 64 GLY H H 64 8.360 8.784 -0.424 1
1 751 . 15 1 1 A 64 64 GLY HA2 H 64 3.950 4.042 -0.092 1
1 752 . 15 1 1 A 64 64 GLY HA3 H 64 3.950 4.043 -0.093 1
1 753 . 15 1 1 A 64 64 GLY C C 64 174.300 175.191 -0.891 1
1 754 . 15 1 1 A 64 64 GLY CA C 64 45.300 45.602 -0.302 1
1 755 . 15 1 1 A 64 64 GLY N N 64 108.700 115.847 -7.147 1
1 756 . 15 1 1 A 65 65 LEU H H 65 8.020 7.735 0.285 1
1 757 . 15 1 1 A 65 65 LEU HA H 65 4.460 4.152 0.308 1
1 767 . 15 1 1 A 65 65 LEU C C 65 178.000 177.444 0.556 1
1 768 . 15 1 1 A 65 65 LEU CA C 65 55.200 57.371 -2.171 1
1 769 . 15 1 1 A 65 65 LEU CB C 65 42.700 42.177 0.523 1
1 773 . 15 1 1 A 65 65 LEU N N 65 121.300 122.662 -1.362 1
1 774 . 15 1 1 A 66 66 THR H H 66 8.470 7.742 0.728 1
1 775 . 15 1 1 A 66 66 THR HA H 66 4.440 4.429 0.011 1
1 780 . 15 1 1 A 66 66 THR C C 66 175.200 174.050 1.150 1
1 781 . 15 1 1 A 66 66 THR CA C 66 61.600 61.537 0.063 1
1 782 . 15 1 1 A 66 66 THR CB C 66 70.200 68.308 1.892 1
1 784 . 15 1 1 A 66 66 THR N N 66 114.300 110.856 3.444 1
1 785 . 15 1 1 A 67 67 THR H H 67 8.370 8.119 0.251 1
1 786 . 15 1 1 A 67 67 THR HA H 67 4.110 4.051 0.059 1
1 791 . 15 1 1 A 67 67 THR C C 67 175.300 172.993 2.307 1
1 792 . 15 1 1 A 67 67 THR CA C 67 63.900 63.767 0.133 1
1 793 . 15 1 1 A 67 67 THR CB C 67 69.100 66.834 2.266 1
1 795 . 15 1 1 A 67 67 THR N N 67 116.600 112.881 3.719 1
1 796 . 15 1 1 A 68 68 ALA H H 68 8.340 7.299 1.041 1
1 797 . 15 1 1 A 68 68 ALA HA H 68 4.220 4.549 -0.329 1
1 801 . 15 1 1 A 68 68 ALA C C 68 179.100 176.671 2.429 1
1 802 . 15 1 1 A 68 68 ALA CA C 68 53.800 51.486 2.314 1
1 803 . 15 1 1 A 68 68 ALA CB C 68 18.700 22.507 -3.807 1
1 804 . 15 1 1 A 68 68 ALA N N 68 124.500 122.180 2.320 1
1 805 . 15 1 1 A 69 69 GLU H H 69 8.090 9.049 -0.959 1
1 806 . 15 1 1 A 69 69 GLU HA H 69 4.140 4.461 -0.321 1
1 811 . 15 1 1 A 69 69 GLU C C 69 177.800 175.177 2.623 1
1 812 . 15 1 1 A 69 69 GLU CA C 69 57.700 57.833 -0.133 1
1 813 . 15 1 1 A 69 69 GLU CB C 69 30.100 31.064 -0.964 1
1 815 . 15 1 1 A 69 69 GLU N N 69 119.000 119.652 -0.652 1
1 816 . 15 1 1 A 70 70 ARG H H 70 8.300 7.682 0.618 1
1 817 . 15 1 1 A 70 70 ARG HA H 70 4.140 4.763 -0.623 1
1 824 . 15 1 1 A 70 70 ARG C C 70 177.400 175.922 1.478 1
1 825 . 15 1 1 A 70 70 ARG CA C 70 57.500 54.270 3.230 1
1 826 . 15 1 1 A 70 70 ARG CB C 70 30.300 35.045 -4.745 1
1 829 . 15 1 1 A 70 70 ARG N N 70 120.400 117.504 2.896 1
1 830 . 15 1 1 A 71 71 GLN H H 71 8.200 8.460 -0.260 1
1 831 . 15 1 1 A 71 71 GLN HA H 71 4.200 4.303 -0.103 1
1 838 . 15 1 1 A 71 71 GLN C C 71 176.600 176.778 -0.178 1
1 839 . 15 1 1 A 71 71 GLN CA C 71 56.800 56.513 0.287 1
1 840 . 15 1 1 A 71 71 GLN CB C 71 28.900 28.878 0.022 1
1 842 . 15 1 1 A 71 71 GLN N N 71 119.500 120.609 -1.109 1
1 844 . 15 1 1 A 72 72 ARG H H 72 7.990 8.569 -0.579 1
1 845 . 15 1 1 A 72 72 ARG HA H 72 4.240 4.286 -0.046 1
1 847 . 15 1 1 A 72 72 ARG C C 72 176.600 175.774 0.826 1
1 848 . 15 1 1 A 72 72 ARG CA C 72 56.900 56.223 0.677 1
1 849 . 15 1 1 A 72 72 ARG CB C 72 30.500 29.398 1.102 1
1 852 . 15 1 1 A 72 72 ARG N N 72 120.600 123.396 -2.796 1
1 853 . 15 1 1 A 73 73 LEU H H 73 7.980 8.677 -0.697 1
1 854 . 15 1 1 A 73 73 LEU HA H 73 4.280 4.335 -0.055 1
1 864 . 15 1 1 A 73 73 LEU C C 73 177.100 176.453 0.647 1
1 865 . 15 1 1 A 73 73 LEU CA C 73 55.300 54.246 1.054 1
1 866 . 15 1 1 A 73 73 LEU CB C 73 42.200 41.167 1.033 1
1 870 . 15 1 1 A 73 73 LEU N N 73 121.400 122.631 -1.231 1
1 871 . 15 1 1 A 74 74 LYS H H 74 8.050 8.410 -0.360 1
1 872 . 15 1 1 A 74 74 LYS HA H 74 4.300 4.644 -0.344 1
1 881 . 15 1 1 A 74 74 LYS C C 74 176.100 176.137 -0.037 1
1 882 . 15 1 1 A 74 74 LYS CA C 74 56.000 55.358 0.642 1
1 883 . 15 1 1 A 74 74 LYS CB C 74 33.000 32.533 0.467 1
1 887 . 15 1 1 A 74 74 LYS N N 74 121.000 125.387 -4.387 1
1 888 . 15 1 1 A 75 75 GLU H H 75 8.360 7.351 1.009 1
1 889 . 15 1 1 A 75 75 GLU HA H 75 4.550 4.527 0.023 1
1 894 . 15 1 1 A 75 75 GLU CA C 75 54.400 53.051 1.349 1
1 895 . 15 1 1 A 75 75 GLU CB C 75 29.600 29.869 -0.269 1
1 897 . 15 1 1 A 75 75 GLU N N 75 123.800 121.373 2.427 1
1 898 . 15 1 1 A 76 76 PRO HA H 76 4.410 4.583 -0.173 1
1 905 . 15 1 1 A 76 76 PRO C C 76 177.000 175.366 1.634 1
1 906 . 15 1 1 A 76 76 PRO CA C 76 63.300 63.910 -0.610 1
1 907 . 15 1 1 A 76 76 PRO CB C 76 32.000 32.502 -0.502 1
1 910 . 15 1 1 A 77 77 GLU H H 77 8.580 7.865 0.715 1
1 911 . 15 1 1 A 77 77 GLU HA H 77 4.220 4.650 -0.430 1
1 916 . 15 1 1 A 77 77 GLU C C 77 176.700 175.585 1.115 1
1 917 . 15 1 1 A 77 77 GLU CA C 77 56.800 55.153 1.647 1
1 918 . 15 1 1 A 77 77 GLU CB C 77 29.900 30.819 -0.919 1
1 920 . 15 1 1 A 77 77 GLU N N 77 120.800 121.694 -0.894 1
1 921 . 15 1 1 A 78 78 ARG H H 78 8.330 8.916 -0.586 1
1 922 . 15 1 1 A 78 78 ARG HA H 78 4.270 4.545 -0.275 1
1 925 . 15 1 1 A 78 78 ARG C C 78 176.500 175.368 1.132 1
1 926 . 15 1 1 A 78 78 ARG CA C 78 56.700 57.102 -0.402 1
1 927 . 15 1 1 A 78 78 ARG CB C 78 30.600 33.581 -2.981 1
1 930 . 15 1 1 A 78 78 ARG N N 78 122.000 129.246 -7.246 1
1 931 . 15 1 1 A 79 79 GLU H H 79 8.020 7.795 0.225 1
1 932 . 15 1 1 A 79 79 GLU HA H 79 4.230 4.721 -0.491 1
1 937 . 15 1 1 A 79 79 GLU C C 79 176.100 175.840 0.260 1
1 938 . 15 1 1 A 79 79 GLU CA C 79 56.500 56.083 0.417 1
1 939 . 15 1 1 A 79 79 GLU CB C 79 30.200 32.210 -2.010 1
1 941 . 15 1 1 A 79 79 GLU N N 79 121.900 117.833 4.067 1
1 942 . 15 1 1 A 80 80 ASN H H 80 8.510 8.969 -0.459 1
1 943 . 15 1 1 A 80 80 ASN HA H 80 4.690 4.870 -0.180 1
1 948 . 15 1 1 A 80 80 ASN C C 80 175.400 173.745 1.655 1
1 949 . 15 1 1 A 80 80 ASN CA C 80 53.300 54.703 -1.403 1
1 950 . 15 1 1 A 80 80 ASN CB C 80 38.500 39.987 -1.487 1
1 951 . 15 1 1 A 80 80 ASN N N 80 120.000 126.232 -6.232 1
1 953 . 15 1 1 A 81 81 ARG H H 81 8.400 7.641 0.759 1
1 954 . 15 1 1 A 81 81 ARG HA H 81 4.250 4.792 -0.542 1
1 961 . 15 1 1 A 81 81 ARG C C 81 175.600 174.748 0.852 1
1 962 . 15 1 1 A 81 81 ARG CA C 81 56.500 54.870 1.630 1
1 963 . 15 1 1 A 81 81 ARG CB C 81 30.800 33.665 -2.865 1
1 966 . 15 1 1 A 81 81 ARG N N 81 121.900 116.550 5.350 1
1 967 . 15 1 1 A 82 82 GLU H H 82 8.410 8.730 -0.320 1
1 968 . 15 1 1 A 82 82 GLU HA H 82 4.240 4.807 -0.567 1
1 973 . 15 1 1 A 82 82 GLU C C 82 176.400 175.206 1.194 1
1 974 . 15 1 1 A 82 82 GLU CA C 82 56.700 54.870 1.830 1
1 975 . 15 1 1 A 82 82 GLU CB C 82 29.900 32.331 -2.431 1
1 977 . 15 1 1 A 82 82 GLU N N 82 120.900 122.416 -1.516 1
1 978 . 15 1 1 A 83 83 LEU H H 83 8.120 9.178 -1.058 1
1 979 . 15 1 1 A 83 83 LEU HA H 83 4.310 3.995 0.315 1
1 988 . 15 1 1 A 83 83 LEU C C 83 177.100 176.138 0.962 1
1 989 . 15 1 1 A 83 83 LEU CA C 83 55.200 56.286 -1.086 1
1 990 . 15 1 1 A 83 83 LEU CB C 83 42.100 40.476 1.624 1
1 994 . 15 1 1 A 83 83 LEU N N 83 122.800 118.457 4.343 1
1 995 . 15 1 1 A 84 84 ARG H H 84 8.260 8.429 -0.169 1
1 996 . 15 1 1 A 84 84 ARG HA H 84 4.340 4.174 0.166 1
1 999 . 15 1 1 A 84 84 ARG C C 84 176.000 175.910 0.090 1
1 1000 . 15 1 1 A 84 84 ARG CA C 84 55.900 57.283 -1.383 1
1 1001 . 15 1 1 A 84 84 ARG CB C 84 30.600 29.320 1.280 1
1 1004 . 15 1 1 A 84 84 ARG N N 84 121.800 111.230 10.570 1
1 1005 . 15 1 1 A 85 85 ARG H H 85 8.390 8.518 -0.128 1
1 1006 . 15 1 1 A 85 85 ARG HA H 85 4.390 4.436 -0.046 1
1 1009 . 15 1 1 A 85 85 ARG C C 85 176.100 175.292 0.808 1
1 1010 . 15 1 1 A 85 85 ARG CA C 85 56.000 56.113 -0.113 1
1 1011 . 15 1 1 A 85 85 ARG CB C 85 31.000 30.658 0.342 1
1 1014 . 15 1 1 A 85 85 ARG N N 85 122.800 122.720 0.080 1
1 1015 . 15 1 1 A 86 86 SER H H 86 8.430 8.717 -0.287 1
1 1016 . 15 1 1 A 86 86 SER HA H 86 4.470 4.446 0.024 1
1 1019 . 15 1 1 A 86 86 SER C C 86 173.300 173.367 -0.067 1
1 1020 . 15 1 1 A 86 86 SER CA C 86 58.200 56.911 1.289 1
1 1021 . 15 1 1 A 86 86 SER CB C 86 64.000 64.891 -0.891 1
1 1022 . 15 1 1 A 86 86 SER N N 86 117.500 117.927 -0.427 1
1 1023 . 15 1 1 A 87 87 ASN H H 87 8.120 8.962 -0.842 1
1 1024 . 15 1 1 A 87 87 ASN HA H 87 4.470 5.625 -1.155 1
1 1029 . 15 1 1 A 87 87 ASN CA C 87 54.800 51.232 3.568 1
1 1030 . 15 1 1 A 87 87 ASN CB C 87 40.100 42.496 -2.396 1
1 1031 . 15 1 1 A 87 87 ASN N N 87 125.900 119.092 6.808 1
1 1033 . 15 1 1 A 88 88 ASP HA H 88 4.640 5.505 -0.865 1
1 1036 . 15 1 1 A 88 88 ASP C C 88 175.700 174.898 0.802 1
1 1037 . 15 1 1 A 88 88 ASP CA C 88 54.500 52.325 2.175 1
1 1038 . 15 1 1 A 88 88 ASP CB C 88 41.100 44.492 -3.392 1
1 1039 . 15 1 1 A 89 89 ILE H H 89 8.000 9.057 -1.057 1
1 1040 . 15 1 1 A 89 89 ILE HA H 89 4.160 4.710 -0.550 1
1 1050 . 15 1 1 A 89 89 ILE C C 89 175.200 174.449 0.751 1
1 1051 . 15 1 1 A 89 89 ILE CA C 89 61.100 60.187 0.913 1
1 1052 . 15 1 1 A 89 89 ILE CB C 89 38.500 40.516 -2.016 1
1 1056 . 15 1 1 A 89 89 ILE N N 89 120.400 123.664 -3.264 1
1 1057 . 15 1 1 A 90 90 LEU H H 90 7.880 8.876 -0.996 1
1 1058 . 15 1 1 A 90 90 LEU HA H 90 4.190 4.886 -0.696 1
1 1067 . 15 1 1 A 90 90 LEU CA C 90 56.700 53.928 2.772 1
1 1068 . 15 1 1 A 90 90 LEU CB C 90 43.300 43.521 -0.221 1
1 1072 . 15 1 1 A 90 90 LEU N N 90 131.900 129.883 2.017 1
1 1073 . 15 1 1 A 93 93 ALA HA H 93 4.370 4.350 0.020 1
1 1077 . 15 1 1 A 93 93 ALA C C 93 176.600 176.244 0.356 1
1 1078 . 15 1 1 A 93 93 ALA CA C 93 52.300 51.836 0.464 1
1 1079 . 15 1 1 A 93 93 ALA CB C 93 19.200 17.899 1.301 1
1 1080 . 15 1 1 A 94 94 SER H H 94 7.910 8.521 -0.611 1
1 1081 . 15 1 1 A 94 94 SER HA H 94 4.250 5.343 -1.093 1
1 1084 . 15 1 1 A 94 94 SER CA C 94 59.900 56.568 3.332 1
1 1085 . 15 1 1 A 94 94 SER CB C 94 64.700 64.369 0.331 1
1 1 . 16 1 1 A 2 2 THR HA H 2 4.360 4.825 -0.465 1
1 6 . 16 1 1 A 2 2 THR C C 2 174.300 171.996 2.304 1
1 7 . 16 1 1 A 2 2 THR CA C 2 61.900 61.078 0.822 1
1 8 . 16 1 1 A 2 2 THR CB C 2 69.900 71.558 -1.658 1
1 10 . 16 1 1 A 3 3 LYS H H 3 8.520 8.766 -0.246 1
1 11 . 16 1 1 A 3 3 LYS HA H 3 4.320 5.082 -0.762 1
1 20 . 16 1 1 A 3 3 LYS C C 3 176.100 174.477 1.623 1
1 21 . 16 1 1 A 3 3 LYS CA C 3 56.400 54.762 1.638 1
1 22 . 16 1 1 A 3 3 LYS CB C 3 33.000 35.418 -2.418 1
1 26 . 16 1 1 A 3 3 LYS N N 3 124.100 125.821 -1.721 1
1 27 . 16 1 1 A 4 4 ASN H H 4 8.560 8.741 -0.181 1
1 28 . 16 1 1 A 4 4 ASN HA H 4 4.760 5.131 -0.371 1
1 33 . 16 1 1 A 4 4 ASN C C 4 175.200 174.277 0.923 1
1 34 . 16 1 1 A 4 4 ASN CA C 4 53.300 53.285 0.015 1
1 35 . 16 1 1 A 4 4 ASN CB C 4 38.900 39.214 -0.314 1
1 36 . 16 1 1 A 4 4 ASN N N 4 120.200 124.051 -3.851 1
1 38 . 16 1 1 A 5 5 THR H H 5 8.130 8.634 -0.504 1
1 39 . 16 1 1 A 5 5 THR HA H 5 4.310 4.920 -0.610 1
1 44 . 16 1 1 A 5 5 THR C C 5 173.900 173.396 0.504 1
1 45 . 16 1 1 A 5 5 THR CA C 5 61.800 59.566 2.234 1
1 46 . 16 1 1 A 5 5 THR CB C 5 69.500 71.231 -1.731 1
1 48 . 16 1 1 A 5 5 THR N N 5 114.900 119.041 -4.141 1
1 49 . 16 1 1 A 6 6 ARG H H 6 8.160 9.055 -0.895 1
1 50 . 16 1 1 A 6 6 ARG HA H 6 4.300 4.296 0.004 1
1 57 . 16 1 1 A 6 6 ARG C C 6 176.300 174.753 1.547 1
1 58 . 16 1 1 A 6 6 ARG CA C 6 56.300 57.317 -1.017 1
1 59 . 16 1 1 A 6 6 ARG CB C 6 30.700 32.473 -1.773 1
1 62 . 16 1 1 A 6 6 ARG N N 6 123.600 125.613 -2.013 1
1 63 . 16 1 1 A 7 7 PHE H H 7 8.460 7.851 0.609 1
1 64 . 16 1 1 A 7 7 PHE HA H 7 4.760 4.986 -0.226 1
1 72 . 16 1 1 A 7 7 PHE C C 7 175.000 174.759 0.241 1
1 73 . 16 1 1 A 7 7 PHE CA C 7 56.700 56.446 0.254 1
1 74 . 16 1 1 A 7 7 PHE CB C 7 40.300 40.167 0.133 1
1 80 . 16 1 1 A 7 7 PHE N N 7 121.500 115.627 5.873 1
1 81 . 16 1 1 A 8 8 SER H H 8 8.520 8.789 -0.269 1
1 82 . 16 1 1 A 8 8 SER HA H 8 4.600 4.701 -0.101 1
1 85 . 16 1 1 A 8 8 SER CA C 8 56.700 56.858 -0.158 1
1 86 . 16 1 1 A 8 8 SER CB C 8 62.600 62.975 -0.375 1
1 87 . 16 1 1 A 8 8 SER N N 8 121.500 120.796 0.704 1
1 88 . 16 1 1 A 9 9 PRO HA H 9 3.920 4.207 -0.287 1
1 95 . 16 1 1 A 9 9 PRO C C 9 178.500 178.868 -0.368 1
1 96 . 16 1 1 A 9 9 PRO CA C 9 65.800 64.922 0.878 1
1 97 . 16 1 1 A 9 9 PRO CB C 9 31.500 31.980 -0.480 1
1 100 . 16 1 1 A 10 10 GLU H H 10 8.610 8.257 0.353 1
1 101 . 16 1 1 A 10 10 GLU HA H 10 3.990 4.029 -0.039 1
1 106 . 16 1 1 A 10 10 GLU C C 10 179.100 179.494 -0.394 1
1 107 . 16 1 1 A 10 10 GLU CA C 10 60.000 59.589 0.411 1
1 108 . 16 1 1 A 10 10 GLU CB C 10 28.800 29.476 -0.676 1
1 110 . 16 1 1 A 10 10 GLU N N 10 116.600 117.780 -1.180 1
1 111 . 16 1 1 A 11 11 VAL H H 11 7.510 7.859 -0.349 1
1 112 . 16 1 1 A 11 11 VAL HA H 11 3.610 3.428 0.182 1
1 120 . 16 1 1 A 11 11 VAL C C 11 177.700 177.416 0.284 1
1 121 . 16 1 1 A 11 11 VAL CA C 11 66.400 66.594 -0.194 1
1 122 . 16 1 1 A 11 11 VAL CB C 11 31.600 31.327 0.273 1
1 125 . 16 1 1 A 11 11 VAL N N 11 122.700 121.254 1.446 1
1 126 . 16 1 1 A 12 12 ARG H H 12 7.800 8.117 -0.317 1
1 127 . 16 1 1 A 12 12 ARG HA H 12 3.440 3.284 0.156 1
1 135 . 16 1 1 A 12 12 ARG C C 12 178.000 178.946 -0.946 1
1 136 . 16 1 1 A 12 12 ARG CA C 12 59.300 59.679 -0.379 1
1 137 . 16 1 1 A 12 12 ARG CB C 12 29.600 29.846 -0.246 1
1 140 . 16 1 1 A 12 12 ARG N N 12 118.700 119.225 -0.525 1
1 142 . 16 1 1 A 13 13 GLN H H 13 8.050 7.756 0.294 1
1 143 . 16 1 1 A 13 13 GLN HA H 13 3.860 4.063 -0.203 1
1 150 . 16 1 1 A 13 13 GLN C C 13 178.800 178.128 0.672 1
1 151 . 16 1 1 A 13 13 GLN CA C 13 58.600 58.785 -0.185 1
1 152 . 16 1 1 A 13 13 GLN CB C 13 28.300 28.165 0.135 1
1 154 . 16 1 1 A 13 13 GLN N N 13 116.100 118.699 -2.599 1
1 156 . 16 1 1 A 14 14 ARG H H 14 7.750 7.909 -0.159 1
1 157 . 16 1 1 A 14 14 ARG HA H 14 3.970 3.964 0.006 1
1 164 . 16 1 1 A 14 14 ARG C C 14 177.900 178.228 -0.328 1
1 165 . 16 1 1 A 14 14 ARG CA C 14 59.100 59.424 -0.324 1
1 166 . 16 1 1 A 14 14 ARG CB C 14 30.000 30.044 -0.044 1
1 169 . 16 1 1 A 14 14 ARG N N 14 120.400 120.457 -0.057 1
1 170 . 16 1 1 A 15 15 ALA H H 15 8.500 7.832 0.668 1
1 171 . 16 1 1 A 15 15 ALA HA H 15 4.040 4.123 -0.083 1
1 175 . 16 1 1 A 15 15 ALA C C 15 178.800 179.607 -0.807 1
1 176 . 16 1 1 A 15 15 ALA CA C 15 55.300 55.098 0.202 1
1 177 . 16 1 1 A 15 15 ALA CB C 15 19.700 18.736 0.964 1
1 178 . 16 1 1 A 15 15 ALA N N 15 122.200 121.329 0.871 1
1 179 . 16 1 1 A 16 16 VAL H H 16 8.230 8.295 -0.065 1
1 180 . 16 1 1 A 16 16 VAL HA H 16 3.360 3.429 -0.069 1
1 188 . 16 1 1 A 16 16 VAL C C 16 177.700 178.249 -0.549 1
1 189 . 16 1 1 A 16 16 VAL CA C 16 67.100 66.770 0.330 1
1 190 . 16 1 1 A 16 16 VAL CB C 16 31.600 31.466 0.134 1
1 193 . 16 1 1 A 16 16 VAL N N 16 116.500 118.501 -2.001 1
1 194 . 16 1 1 A 17 17 ARG H H 17 7.900 8.138 -0.238 1
1 195 . 16 1 1 A 17 17 ARG HA H 17 3.830 3.886 -0.056 1
1 202 . 16 1 1 A 17 17 ARG C C 17 178.000 178.257 -0.257 1
1 203 . 16 1 1 A 17 17 ARG CA C 17 59.700 59.334 0.366 1
1 204 . 16 1 1 A 17 17 ARG CB C 17 29.200 29.732 -0.532 1
1 207 . 16 1 1 A 17 17 ARG N N 17 119.000 120.146 -1.146 1
1 208 . 16 1 1 A 18 18 MET H H 18 8.210 7.760 0.450 1
1 209 . 16 1 1 A 18 18 MET HA H 18 4.090 4.185 -0.095 1
1 217 . 16 1 1 A 18 18 MET C C 18 179.400 178.072 1.328 1
1 218 . 16 1 1 A 18 18 MET CA C 18 59.500 58.288 1.212 1
1 219 . 16 1 1 A 18 18 MET CB C 18 33.600 32.003 1.597 1
1 222 . 16 1 1 A 18 18 MET N N 18 117.300 118.993 -1.693 1
1 223 . 16 1 1 A 19 19 VAL H H 19 7.790 8.324 -0.534 1
1 224 . 16 1 1 A 19 19 VAL HA H 19 3.390 3.598 -0.208 1
1 232 . 16 1 1 A 19 19 VAL C C 19 177.200 178.041 -0.841 1
1 233 . 16 1 1 A 19 19 VAL CA C 19 66.100 67.071 -0.971 1
1 234 . 16 1 1 A 19 19 VAL CB C 19 31.600 31.367 0.233 1
1 237 . 16 1 1 A 19 19 VAL N N 19 119.900 119.570 0.330 1
1 238 . 16 1 1 A 20 20 LEU H H 20 8.280 8.441 -0.161 1
1 239 . 16 1 1 A 20 20 LEU HA H 20 4.070 3.837 0.233 1
1 249 . 16 1 1 A 20 20 LEU C C 20 180.600 179.446 1.154 1
1 250 . 16 1 1 A 20 20 LEU CA C 20 57.900 58.611 -0.711 1
1 251 . 16 1 1 A 20 20 LEU CB C 20 40.800 41.604 -0.804 1
1 255 . 16 1 1 A 20 20 LEU N N 20 118.400 119.524 -1.124 1
1 256 . 16 1 1 A 21 21 GLU H H 21 8.690 8.285 0.405 1
1 257 . 16 1 1 A 21 21 GLU HA H 21 4.230 3.862 0.368 1
1 262 . 16 1 1 A 21 21 GLU C C 21 178.200 179.094 -0.894 1
1 263 . 16 1 1 A 21 21 GLU CA C 21 57.900 59.711 -1.811 1
1 264 . 16 1 1 A 21 21 GLU CB C 21 29.700 29.181 0.519 1
1 266 . 16 1 1 A 21 21 GLU N N 21 115.900 118.219 -2.319 1
1 267 . 16 1 1 A 22 22 SER H H 22 7.580 7.826 -0.246 1
1 268 . 16 1 1 A 22 22 SER HA H 22 4.790 4.231 0.559 1
1 271 . 16 1 1 A 22 22 SER C C 22 175.200 176.207 -1.007 1
1 272 . 16 1 1 A 22 22 SER CA C 22 59.500 60.787 -1.287 1
1 273 . 16 1 1 A 22 22 SER CB C 22 64.500 63.373 1.127 1
1 274 . 16 1 1 A 22 22 SER N N 22 113.000 116.588 -3.588 1
1 275 . 16 1 1 A 23 23 GLN H H 23 7.780 8.318 -0.538 1
1 276 . 16 1 1 A 23 23 GLN HA H 23 4.800 4.103 0.697 1
1 283 . 16 1 1 A 23 23 GLN C C 23 177.100 178.053 -0.953 1
1 284 . 16 1 1 A 23 23 GLN CA C 23 57.800 59.171 -1.371 1
1 285 . 16 1 1 A 23 23 GLN CB C 23 28.100 28.571 -0.471 1
1 287 . 16 1 1 A 23 23 GLN N N 23 119.900 122.381 -2.481 1
1 289 . 16 1 1 A 24 24 GLY H H 24 8.680 7.793 0.887 1
1 290 . 16 1 1 A 24 24 GLY HA2 H 24 3.860 3.880 -0.020 1
1 291 . 16 1 1 A 24 24 GLY HA3 H 24 4.110 3.891 0.219 1
1 292 . 16 1 1 A 24 24 GLY C C 24 175.100 175.478 -0.378 1
1 293 . 16 1 1 A 24 24 GLY CA C 24 45.900 45.846 0.054 1
1 294 . 16 1 1 A 24 24 GLY N N 24 108.500 106.683 1.817 1
1 295 . 16 1 1 A 25 25 GLU H H 25 8.110 7.664 0.446 1
1 296 . 16 1 1 A 25 25 GLU HA H 25 4.210 4.072 0.138 1
1 301 . 16 1 1 A 25 25 GLU C C 25 175.400 176.363 -0.963 1
1 302 . 16 1 1 A 25 25 GLU CA C 25 56.100 58.363 -2.263 1
1 303 . 16 1 1 A 25 25 GLU CB C 25 29.700 30.142 -0.442 1
1 305 . 16 1 1 A 25 25 GLU N N 25 118.200 118.442 -0.242 1
1 306 . 16 1 1 A 26 26 TYR H H 26 7.690 7.959 -0.269 1
1 307 . 16 1 1 A 26 26 TYR HA H 26 4.690 4.873 -0.183 1
1 314 . 16 1 1 A 26 26 TYR C C 26 175.800 175.457 0.343 1
1 315 . 16 1 1 A 26 26 TYR CA C 26 57.000 57.807 -0.807 1
1 316 . 16 1 1 A 26 26 TYR CB C 26 42.200 40.254 1.946 1
1 321 . 16 1 1 A 26 26 TYR N N 26 117.700 116.349 1.351 1
1 322 . 16 1 1 A 27 27 ASP H H 27 8.850 8.651 0.199 1
1 323 . 16 1 1 A 27 27 ASP HA H 27 4.520 4.931 -0.411 1
1 326 . 16 1 1 A 27 27 ASP C C 27 175.900 175.579 0.321 1
1 327 . 16 1 1 A 27 27 ASP CA C 27 55.400 53.296 2.104 1
1 328 . 16 1 1 A 27 27 ASP CB C 27 41.200 41.700 -0.500 1
1 329 . 16 1 1 A 27 27 ASP N N 27 117.500 119.332 -1.832 1
1 330 . 16 1 1 A 28 28 SER H H 28 7.550 7.881 -0.331 1
1 331 . 16 1 1 A 28 28 SER HA H 28 4.740 4.658 0.082 1
1 334 . 16 1 1 A 28 28 SER CA C 28 57.200 56.446 0.754 1
1 335 . 16 1 1 A 28 28 SER CB C 28 65.800 64.115 1.685 1
1 336 . 16 1 1 A 28 28 SER N N 28 109.000 115.209 -6.209 1
1 337 . 16 1 1 A 29 29 GLN HA H 29 3.950 3.937 0.013 1
1 344 . 16 1 1 A 29 29 GLN C C 29 178.100 178.019 0.081 1
1 345 . 16 1 1 A 29 29 GLN CA C 29 60.200 58.951 1.249 1
1 346 . 16 1 1 A 29 29 GLN CB C 29 29.900 27.711 2.189 1
1 349 . 16 1 1 A 30 30 TRP H H 30 9.010 7.748 1.262 1
1 350 . 16 1 1 A 30 30 TRP HA H 30 4.720 4.491 0.229 1
1 359 . 16 1 1 A 30 30 TRP C C 30 177.100 179.026 -1.926 1
1 360 . 16 1 1 A 30 30 TRP CA C 30 59.300 60.203 -0.903 1
1 361 . 16 1 1 A 30 30 TRP CB C 30 30.000 28.818 1.182 1
1 367 . 16 1 1 A 30 30 TRP N N 30 121.400 120.839 0.561 1
1 369 . 16 1 1 A 31 31 ALA H H 31 8.360 8.031 0.329 1
1 370 . 16 1 1 A 31 31 ALA HA H 31 3.790 4.107 -0.317 1
1 374 . 16 1 1 A 31 31 ALA C C 31 180.300 179.831 0.469 1
1 375 . 16 1 1 A 31 31 ALA CA C 31 55.300 55.157 0.143 1
1 376 . 16 1 1 A 31 31 ALA CB C 31 18.200 18.083 0.117 1
1 377 . 16 1 1 A 31 31 ALA N N 31 121.600 122.374 -0.774 1
1 378 . 16 1 1 A 32 32 THR H H 32 7.420 7.716 -0.296 1
1 379 . 16 1 1 A 32 32 THR HA H 32 2.620 3.974 -1.354 1
1 384 . 16 1 1 A 32 32 THR C C 32 176.700 176.376 0.324 1
1 385 . 16 1 1 A 32 32 THR CA C 32 66.200 67.436 -1.236 1
1 386 . 16 1 1 A 32 32 THR CB C 32 67.800 69.097 -1.297 1
1 388 . 16 1 1 A 32 32 THR N N 32 115.700 114.464 1.236 1
1 389 . 16 1 1 A 33 33 ILE H H 33 8.490 8.599 -0.109 1
1 390 . 16 1 1 A 33 33 ILE HA H 33 3.180 3.712 -0.532 1
1 400 . 16 1 1 A 33 33 ILE C C 33 177.300 178.405 -1.105 1
1 401 . 16 1 1 A 33 33 ILE CA C 33 65.900 64.926 0.974 1
1 402 . 16 1 1 A 33 33 ILE CB C 33 37.700 37.720 -0.020 1
1 406 . 16 1 1 A 33 33 ILE N N 33 124.100 120.150 3.950 1
1 407 . 16 1 1 A 34 34 CYS H H 34 8.060 8.376 -0.316 1
1 408 . 16 1 1 A 34 34 CYS HA H 34 3.610 4.319 -0.709 1
1 411 . 16 1 1 A 34 34 CYS C C 34 175.800 175.889 -0.089 1
1 412 . 16 1 1 A 34 34 CYS CA C 34 63.800 62.059 1.741 1
1 413 . 16 1 1 A 34 34 CYS CB C 34 26.400 27.342 -0.942 1
1 414 . 16 1 1 A 34 34 CYS N N 34 115.900 121.406 -5.506 1
1 415 . 16 1 1 A 35 35 SER H H 35 7.150 7.796 -0.646 1
1 416 . 16 1 1 A 35 35 SER HA H 35 4.260 4.425 -0.165 1
1 419 . 16 1 1 A 35 35 SER C C 35 175.500 175.256 0.244 1
1 420 . 16 1 1 A 35 35 SER CA C 35 60.200 60.970 -0.770 1
1 421 . 16 1 1 A 35 35 SER CB C 35 63.600 63.736 -0.136 1
1 422 . 16 1 1 A 35 35 SER N N 35 113.600 115.993 -2.393 1
1 423 . 16 1 1 A 36 36 ILE H H 36 7.650 7.494 0.156 1
1 424 . 16 1 1 A 36 36 ILE HA H 36 3.850 3.947 -0.097 1
1 434 . 16 1 1 A 36 36 ILE C C 36 176.900 177.865 -0.965 1
1 435 . 16 1 1 A 36 36 ILE CA C 36 61.700 63.787 -2.087 1
1 436 . 16 1 1 A 36 36 ILE CB C 36 37.700 37.436 0.264 1
1 440 . 16 1 1 A 36 36 ILE N N 36 120.700 121.688 -0.988 1
1 441 . 16 1 1 A 37 37 ALA H H 37 8.200 8.581 -0.381 1
1 442 . 16 1 1 A 37 37 ALA HA H 37 3.860 4.055 -0.195 1
1 446 . 16 1 1 A 37 37 ALA CA C 37 57.400 57.227 0.173 1
1 447 . 16 1 1 A 37 37 ALA CB C 37 14.900 16.985 -2.085 1
1 448 . 16 1 1 A 37 37 ALA N N 37 122.200 124.235 -2.035 1
1 449 . 16 1 1 A 38 38 PRO HA H 38 4.470 4.420 0.050 1
1 456 . 16 1 1 A 38 38 PRO C C 38 178.800 178.815 -0.015 1
1 457 . 16 1 1 A 38 38 PRO CA C 38 65.600 64.802 0.798 1
1 458 . 16 1 1 A 38 38 PRO CB C 38 31.000 31.419 -0.419 1
1 461 . 16 1 1 A 39 39 LYS H H 39 7.680 7.877 -0.197 1
1 462 . 16 1 1 A 39 39 LYS HA H 39 4.150 4.103 0.047 1
1 471 . 16 1 1 A 39 39 LYS C C 39 177.800 178.911 -1.111 1
1 472 . 16 1 1 A 39 39 LYS CA C 39 58.000 59.335 -1.335 1
1 473 . 16 1 1 A 39 39 LYS CB C 39 31.800 32.162 -0.362 1
1 477 . 16 1 1 A 39 39 LYS N N 39 115.500 118.291 -2.791 1
1 478 . 16 1 1 A 40 40 ILE H H 40 7.540 7.725 -0.185 1
1 479 . 16 1 1 A 40 40 ILE HA H 40 4.130 4.127 0.003 1
1 489 . 16 1 1 A 40 40 ILE C C 40 176.500 176.368 0.132 1
1 490 . 16 1 1 A 40 40 ILE CA C 40 59.600 63.040 -3.440 1
1 491 . 16 1 1 A 40 40 ILE CB C 40 37.300 38.692 -1.392 1
1 495 . 16 1 1 A 40 40 ILE N N 40 117.500 117.523 -0.023 1
1 496 . 16 1 1 A 41 41 GLY H H 41 8.430 8.733 -0.303 1
1 497 . 16 1 1 A 41 41 GLY HA2 H 41 4.550 4.051 0.499 1
1 498 . 16 1 1 A 41 41 GLY HA3 H 41 3.790 4.057 -0.267 1
1 499 . 16 1 1 A 41 41 GLY C C 41 173.900 173.740 0.160 1
1 500 . 16 1 1 A 41 41 GLY CA C 41 44.900 46.246 -1.346 1
1 501 . 16 1 1 A 41 41 GLY N N 41 105.100 108.289 -3.189 1
1 502 . 16 1 1 A 42 42 CYS H H 42 7.360 7.577 -0.217 1
1 503 . 16 1 1 A 42 42 CYS HA H 42 5.220 5.041 0.179 1
1 506 . 16 1 1 A 42 42 CYS C C 42 173.100 173.396 -0.296 1
1 507 . 16 1 1 A 42 42 CYS CA C 42 53.300 57.336 -4.036 1
1 508 . 16 1 1 A 42 42 CYS CB C 42 31.700 31.081 0.619 1
1 509 . 16 1 1 A 42 42 CYS N N 42 115.400 115.580 -0.180 1
1 510 . 16 1 1 A 43 43 THR H H 43 8.550 8.611 -0.061 1
1 511 . 16 1 1 A 43 43 THR HA H 43 4.560 4.596 -0.036 1
1 516 . 16 1 1 A 43 43 THR CA C 43 59.800 60.397 -0.597 1
1 517 . 16 1 1 A 43 43 THR CB C 43 68.500 69.049 -0.549 1
1 519 . 16 1 1 A 43 43 THR N N 43 111.500 113.922 -2.422 1
1 520 . 16 1 1 A 44 44 PRO HA H 44 3.680 4.290 -0.610 1
1 527 . 16 1 1 A 44 44 PRO C C 44 177.300 178.794 -1.494 1
1 528 . 16 1 1 A 44 44 PRO CA C 44 65.200 65.746 -0.546 1
1 529 . 16 1 1 A 44 44 PRO CB C 44 32.400 31.695 0.705 1
1 532 . 16 1 1 A 45 45 GLU H H 45 8.900 8.520 0.380 1
1 533 . 16 1 1 A 45 45 GLU HA H 45 3.990 4.033 -0.043 1
1 538 . 16 1 1 A 45 45 GLU C C 45 179.000 179.071 -0.071 1
1 539 . 16 1 1 A 45 45 GLU CA C 45 61.300 59.071 2.229 1
1 540 . 16 1 1 A 45 45 GLU CB C 45 28.200 28.997 -0.797 1
1 542 . 16 1 1 A 45 45 GLU N N 45 117.100 117.670 -0.570 1
1 543 . 16 1 1 A 46 46 THR H H 46 7.680 7.733 -0.053 1
1 544 . 16 1 1 A 46 46 THR HA H 46 3.560 3.654 -0.094 1
1 549 . 16 1 1 A 46 46 THR C C 46 173.800 176.393 -2.593 1
1 550 . 16 1 1 A 46 46 THR CA C 46 66.300 66.632 -0.332 1
1 551 . 16 1 1 A 46 46 THR CB C 46 68.000 67.232 0.768 1
1 553 . 16 1 1 A 46 46 THR N N 46 118.800 118.411 0.389 1
1 554 . 16 1 1 A 47 47 LEU H H 47 7.040 7.868 -0.828 1
1 555 . 16 1 1 A 47 47 LEU HA H 47 3.170 3.783 -0.613 1
1 565 . 16 1 1 A 47 47 LEU C C 47 177.500 179.311 -1.811 1
1 566 . 16 1 1 A 47 47 LEU CA C 47 56.800 58.042 -1.242 1
1 567 . 16 1 1 A 47 47 LEU CB C 47 40.500 41.573 -1.073 1
1 571 . 16 1 1 A 47 47 LEU N N 47 120.600 121.476 -0.876 1
1 572 . 16 1 1 A 48 48 ARG H H 48 8.430 7.452 0.978 1
1 573 . 16 1 1 A 48 48 ARG HA H 48 3.880 3.867 0.013 1
1 580 . 16 1 1 A 48 48 ARG C C 48 177.400 178.654 -1.254 1
1 581 . 16 1 1 A 48 48 ARG CA C 48 60.200 58.951 1.249 1
1 582 . 16 1 1 A 48 48 ARG CB C 48 30.500 29.701 0.799 1
1 585 . 16 1 1 A 48 48 ARG N N 48 118.200 119.343 -1.143 1
1 586 . 16 1 1 A 49 49 VAL H H 49 7.400 7.436 -0.036 1
1 587 . 16 1 1 A 49 49 VAL HA H 49 3.630 3.559 0.071 1
1 595 . 16 1 1 A 49 49 VAL C C 49 178.900 178.338 0.562 1
1 596 . 16 1 1 A 49 49 VAL CA C 49 67.200 66.511 0.689 1
1 597 . 16 1 1 A 49 49 VAL CB C 49 30.700 31.503 -0.803 1
1 600 . 16 1 1 A 49 49 VAL N N 49 120.300 118.249 2.051 1
1 601 . 16 1 1 A 50 50 TRP H H 50 7.850 7.715 0.135 1
1 602 . 16 1 1 A 50 50 TRP HA H 50 4.740 4.373 0.367 1
1 611 . 16 1 1 A 50 50 TRP C C 50 180.400 179.011 1.389 1
1 612 . 16 1 1 A 50 50 TRP CA C 50 57.800 60.139 -2.339 1
1 613 . 16 1 1 A 50 50 TRP CB C 50 28.700 29.486 -0.786 1
1 619 . 16 1 1 A 50 50 TRP N N 50 120.300 119.889 0.411 1
1 621 . 16 1 1 A 51 51 VAL H H 51 8.820 8.325 0.495 1
1 622 . 16 1 1 A 51 51 VAL HA H 51 3.690 3.690 0.000 1
1 630 . 16 1 1 A 51 51 VAL C C 51 177.700 178.302 -0.602 1
1 631 . 16 1 1 A 51 51 VAL CA C 51 66.800 66.759 0.041 1
1 632 . 16 1 1 A 51 51 VAL CB C 51 32.000 31.424 0.576 1
1 635 . 16 1 1 A 51 51 VAL N N 51 121.300 119.940 1.360 1
1 636 . 16 1 1 A 52 52 ARG H H 52 8.740 8.439 0.301 1
1 637 . 16 1 1 A 52 52 ARG HA H 52 4.260 3.971 0.289 1
1 644 . 16 1 1 A 52 52 ARG C C 52 179.500 178.689 0.811 1
1 645 . 16 1 1 A 52 52 ARG CA C 52 58.900 59.174 -0.274 1
1 646 . 16 1 1 A 52 52 ARG CB C 52 29.900 29.725 0.175 1
1 649 . 16 1 1 A 52 52 ARG N N 52 120.200 119.971 0.229 1
1 650 . 16 1 1 A 53 53 GLN H H 53 8.540 8.122 0.418 1
1 651 . 16 1 1 A 53 53 GLN HA H 53 4.050 4.082 -0.032 1
1 658 . 16 1 1 A 53 53 GLN C C 53 177.600 178.504 -0.904 1
1 659 . 16 1 1 A 53 53 GLN CA C 53 58.700 59.024 -0.324 1
1 660 . 16 1 1 A 53 53 GLN CB C 53 28.100 28.451 -0.351 1
1 662 . 16 1 1 A 53 53 GLN N N 53 119.100 118.463 0.637 1
1 664 . 16 1 1 A 54 54 HIS H H 54 8.010 8.008 0.002 1
1 665 . 16 1 1 A 54 54 HIS HA H 54 4.410 4.257 0.153 1
1 668 . 16 1 1 A 54 54 HIS C C 54 177.800 177.593 0.207 1
1 669 . 16 1 1 A 54 54 HIS CA C 54 59.700 59.849 -0.149 1
1 670 . 16 1 1 A 54 54 HIS CB C 54 30.600 29.703 0.897 1
1 671 . 16 1 1 A 54 54 HIS N N 54 119.300 119.894 -0.594 1
1 672 . 16 1 1 A 55 55 GLU H H 55 8.460 8.652 -0.192 1
1 673 . 16 1 1 A 55 55 GLU HA H 55 3.940 4.032 -0.092 1
1 678 . 16 1 1 A 55 55 GLU C C 55 178.400 179.331 -0.931 1
1 679 . 16 1 1 A 55 55 GLU CA C 55 58.800 59.108 -0.308 1
1 680 . 16 1 1 A 55 55 GLU CB C 55 29.800 29.045 0.755 1
1 682 . 16 1 1 A 55 55 GLU N N 55 119.700 118.784 0.916 1
1 683 . 16 1 1 A 56 56 ARG H H 56 7.990 7.794 0.196 1
1 684 . 16 1 1 A 56 56 ARG HA H 56 4.160 4.055 0.105 1
1 691 . 16 1 1 A 56 56 ARG C C 56 177.800 177.883 -0.083 1
1 692 . 16 1 1 A 56 56 ARG CA C 56 58.100 58.531 -0.431 1
1 693 . 16 1 1 A 56 56 ARG CB C 56 30.100 29.934 0.166 1
1 696 . 16 1 1 A 56 56 ARG N N 56 119.200 121.382 -2.182 1
1 697 . 16 1 1 A 57 57 ASP H H 57 8.300 8.106 0.194 1
1 698 . 16 1 1 A 57 57 ASP HA H 57 4.550 4.399 0.151 1
1 701 . 16 1 1 A 57 57 ASP C C 57 177.400 176.332 1.068 1
1 702 . 16 1 1 A 57 57 ASP CA C 57 55.800 56.863 -1.063 1
1 703 . 16 1 1 A 57 57 ASP CB C 57 40.800 41.180 -0.380 1
1 704 . 16 1 1 A 57 57 ASP N N 57 120.000 120.257 -0.257 1
1 705 . 16 1 1 A 58 58 THR H H 58 7.890 8.049 -0.159 1
1 706 . 16 1 1 A 58 58 THR HA H 58 4.310 4.505 -0.195 1
1 711 . 16 1 1 A 58 58 THR C C 58 175.500 174.237 1.263 1
1 712 . 16 1 1 A 58 58 THR CA C 58 62.200 60.508 1.692 1
1 713 . 16 1 1 A 58 58 THR CB C 58 69.800 68.979 0.821 1
1 715 . 16 1 1 A 58 58 THR N N 58 111.300 110.977 0.323 1
1 716 . 16 1 1 A 59 59 GLY H H 59 8.070 8.229 -0.159 1
1 717 . 16 1 1 A 59 59 GLY HA2 H 59 4.010 4.038 -0.028 1
1 718 . 16 1 1 A 59 59 GLY HA3 H 59 4.010 4.042 -0.032 1
1 719 . 16 1 1 A 59 59 GLY C C 59 174.700 174.798 -0.098 1
1 720 . 16 1 1 A 59 59 GLY CA C 59 45.600 45.265 0.335 1
1 721 . 16 1 1 A 59 59 GLY N N 59 110.600 115.125 -4.525 1
1 722 . 16 1 1 A 60 60 GLY H H 60 8.260 8.191 0.069 1
1 723 . 16 1 1 A 60 60 GLY HA2 H 60 3.990 4.021 -0.031 1
1 724 . 16 1 1 A 60 60 GLY HA3 H 60 3.990 4.022 -0.032 1
1 725 . 16 1 1 A 60 60 GLY C C 60 173.900 173.522 0.378 1
1 726 . 16 1 1 A 60 60 GLY CA C 60 45.100 45.523 -0.423 1
1 727 . 16 1 1 A 60 60 GLY N N 60 108.700 108.449 0.251 1
1 728 . 16 1 1 A 61 61 ASP H H 61 8.320 8.732 -0.412 1
1 729 . 16 1 1 A 61 61 ASP HA H 61 4.650 4.499 0.151 1
1 732 . 16 1 1 A 61 61 ASP C C 61 176.200 174.918 1.282 1
1 733 . 16 1 1 A 61 61 ASP CA C 61 54.200 55.754 -1.554 1
1 734 . 16 1 1 A 61 61 ASP CB C 61 41.300 40.601 0.699 1
1 735 . 16 1 1 A 61 61 ASP N N 61 120.500 121.752 -1.252 1
1 736 . 16 1 1 A 62 62 ASP H H 62 8.400 8.111 0.289 1
1 737 . 16 1 1 A 62 62 ASP HA H 62 4.600 4.445 0.155 1
1 740 . 16 1 1 A 62 62 ASP C C 62 177.100 176.765 0.335 1
1 741 . 16 1 1 A 62 62 ASP CA C 62 54.200 55.375 -1.175 1
1 742 . 16 1 1 A 62 62 ASP CB C 62 41.100 39.850 1.250 1
1 743 . 16 1 1 A 62 62 ASP N N 62 121.100 122.099 -0.999 1
1 744 . 16 1 1 A 63 63 GLY H H 63 8.500 8.331 0.169 1
1 745 . 16 1 1 A 63 63 GLY HA2 H 63 3.950 4.299 -0.349 1
1 746 . 16 1 1 A 63 63 GLY HA3 H 63 3.950 4.299 -0.349 1
1 747 . 16 1 1 A 63 63 GLY C C 63 175.000 172.098 2.902 1
1 748 . 16 1 1 A 63 63 GLY CA C 63 45.700 46.104 -0.404 1
1 749 . 16 1 1 A 63 63 GLY N N 63 109.400 110.533 -1.133 1
1 750 . 16 1 1 A 64 64 GLY H H 64 8.360 8.337 0.023 1
1 751 . 16 1 1 A 64 64 GLY HA2 H 64 3.950 4.246 -0.296 1
1 752 . 16 1 1 A 64 64 GLY HA3 H 64 3.950 4.246 -0.296 1
1 753 . 16 1 1 A 64 64 GLY C C 64 174.300 174.552 -0.252 1
1 754 . 16 1 1 A 64 64 GLY CA C 64 45.300 45.982 -0.682 1
1 755 . 16 1 1 A 64 64 GLY N N 64 108.700 110.240 -1.540 1
1 756 . 16 1 1 A 65 65 LEU H H 65 8.020 8.405 -0.385 1
1 757 . 16 1 1 A 65 65 LEU HA H 65 4.460 4.165 0.295 1
1 767 . 16 1 1 A 65 65 LEU C C 65 178.000 177.108 0.892 1
1 768 . 16 1 1 A 65 65 LEU CA C 65 55.200 56.880 -1.680 1
1 769 . 16 1 1 A 65 65 LEU CB C 65 42.700 41.841 0.859 1
1 773 . 16 1 1 A 65 65 LEU N N 65 121.300 121.751 -0.451 1
1 774 . 16 1 1 A 66 66 THR H H 66 8.470 7.560 0.910 1
1 775 . 16 1 1 A 66 66 THR HA H 66 4.440 4.421 0.019 1
1 780 . 16 1 1 A 66 66 THR C C 66 175.200 173.837 1.363 1
1 781 . 16 1 1 A 66 66 THR CA C 66 61.600 61.420 0.180 1
1 782 . 16 1 1 A 66 66 THR CB C 66 70.200 68.343 1.857 1
1 784 . 16 1 1 A 66 66 THR N N 66 114.300 108.134 6.166 1
1 785 . 16 1 1 A 67 67 THR H H 67 8.370 8.030 0.340 1
1 786 . 16 1 1 A 67 67 THR HA H 67 4.110 4.671 -0.561 1
1 791 . 16 1 1 A 67 67 THR C C 67 175.300 175.233 0.067 1
1 792 . 16 1 1 A 67 67 THR CA C 67 63.900 61.239 2.661 1
1 793 . 16 1 1 A 67 67 THR CB C 67 69.100 69.561 -0.461 1
1 795 . 16 1 1 A 67 67 THR N N 67 116.600 118.736 -2.136 1
1 796 . 16 1 1 A 68 68 ALA H H 68 8.340 9.100 -0.760 1
1 797 . 16 1 1 A 68 68 ALA HA H 68 4.220 4.347 -0.127 1
1 801 . 16 1 1 A 68 68 ALA C C 68 179.100 177.961 1.139 1
1 802 . 16 1 1 A 68 68 ALA CA C 68 53.800 52.545 1.255 1
1 803 . 16 1 1 A 68 68 ALA CB C 68 18.700 18.910 -0.210 1
1 804 . 16 1 1 A 68 68 ALA N N 68 124.500 126.429 -1.929 1
1 805 . 16 1 1 A 69 69 GLU H H 69 8.090 8.246 -0.156 1
1 806 . 16 1 1 A 69 69 GLU HA H 69 4.140 4.203 -0.063 1
1 811 . 16 1 1 A 69 69 GLU C C 69 177.800 177.396 0.404 1
1 812 . 16 1 1 A 69 69 GLU CA C 69 57.700 58.422 -0.722 1
1 813 . 16 1 1 A 69 69 GLU CB C 69 30.100 29.398 0.702 1
1 815 . 16 1 1 A 69 69 GLU N N 69 119.000 118.886 0.114 1
1 816 . 16 1 1 A 70 70 ARG H H 70 8.300 8.121 0.179 1
1 817 . 16 1 1 A 70 70 ARG HA H 70 4.140 4.406 -0.266 1
1 824 . 16 1 1 A 70 70 ARG C C 70 177.400 178.383 -0.983 1
1 825 . 16 1 1 A 70 70 ARG CA C 70 57.500 57.864 -0.364 1
1 826 . 16 1 1 A 70 70 ARG CB C 70 30.300 31.185 -0.885 1
1 829 . 16 1 1 A 70 70 ARG N N 70 120.400 120.913 -0.513 1
1 830 . 16 1 1 A 71 71 GLN H H 71 8.200 7.883 0.317 1
1 831 . 16 1 1 A 71 71 GLN HA H 71 4.200 4.290 -0.090 1
1 838 . 16 1 1 A 71 71 GLN C C 71 176.600 175.999 0.601 1
1 839 . 16 1 1 A 71 71 GLN CA C 71 56.800 57.542 -0.742 1
1 840 . 16 1 1 A 71 71 GLN CB C 71 28.900 29.271 -0.371 1
1 842 . 16 1 1 A 71 71 GLN N N 71 119.500 117.893 1.607 1
1 844 . 16 1 1 A 72 72 ARG H H 72 7.990 7.794 0.196 1
1 845 . 16 1 1 A 72 72 ARG HA H 72 4.240 4.558 -0.318 1
1 847 . 16 1 1 A 72 72 ARG C C 72 176.600 176.202 0.398 1
1 848 . 16 1 1 A 72 72 ARG CA C 72 56.900 54.753 2.147 1
1 849 . 16 1 1 A 72 72 ARG CB C 72 30.500 30.164 0.336 1
1 852 . 16 1 1 A 72 72 ARG N N 72 120.600 119.693 0.907 1
1 853 . 16 1 1 A 73 73 LEU H H 73 7.980 8.776 -0.796 1
1 854 . 16 1 1 A 73 73 LEU HA H 73 4.280 3.939 0.341 1
1 864 . 16 1 1 A 73 73 LEU C C 73 177.100 177.003 0.097 1
1 865 . 16 1 1 A 73 73 LEU CA C 73 55.300 57.754 -2.454 1
1 866 . 16 1 1 A 73 73 LEU CB C 73 42.200 42.346 -0.146 1
1 870 . 16 1 1 A 73 73 LEU N N 73 121.400 126.857 -5.457 1
1 871 . 16 1 1 A 74 74 LYS H H 74 8.050 8.017 0.033 1
1 872 . 16 1 1 A 74 74 LYS HA H 74 4.300 3.961 0.339 1
1 881 . 16 1 1 A 74 74 LYS C C 74 176.100 175.569 0.531 1
1 882 . 16 1 1 A 74 74 LYS CA C 74 56.000 57.275 -1.275 1
1 883 . 16 1 1 A 74 74 LYS CB C 74 33.000 31.574 1.426 1
1 887 . 16 1 1 A 74 74 LYS N N 74 121.000 119.405 1.595 1
1 888 . 16 1 1 A 75 75 GLU H H 75 8.360 8.467 -0.107 1
1 889 . 16 1 1 A 75 75 GLU HA H 75 4.550 3.990 0.560 1
1 894 . 16 1 1 A 75 75 GLU CA C 75 54.400 56.903 -2.503 1
1 895 . 16 1 1 A 75 75 GLU CB C 75 29.600 28.459 1.141 1
1 897 . 16 1 1 A 75 75 GLU N N 75 123.800 116.222 7.578 1
1 898 . 16 1 1 A 76 76 PRO HA H 76 4.410 4.456 -0.046 1
1 905 . 16 1 1 A 76 76 PRO C C 76 177.000 176.850 0.150 1
1 906 . 16 1 1 A 76 76 PRO CA C 76 63.300 63.226 0.074 1
1 907 . 16 1 1 A 76 76 PRO CB C 76 32.000 31.793 0.207 1
1 910 . 16 1 1 A 77 77 GLU H H 77 8.580 8.464 0.116 1
1 911 . 16 1 1 A 77 77 GLU HA H 77 4.220 4.417 -0.197 1
1 916 . 16 1 1 A 77 77 GLU C C 77 176.700 176.095 0.605 1
1 917 . 16 1 1 A 77 77 GLU CA C 77 56.800 56.943 -0.143 1
1 918 . 16 1 1 A 77 77 GLU CB C 77 29.900 30.800 -0.900 1
1 920 . 16 1 1 A 77 77 GLU N N 77 120.800 119.785 1.015 1
1 921 . 16 1 1 A 78 78 ARG H H 78 8.330 7.846 0.484 1
1 922 . 16 1 1 A 78 78 ARG HA H 78 4.270 4.881 -0.611 1
1 925 . 16 1 1 A 78 78 ARG C C 78 176.500 174.641 1.859 1
1 926 . 16 1 1 A 78 78 ARG CA C 78 56.700 54.571 2.129 1
1 927 . 16 1 1 A 78 78 ARG CB C 78 30.600 33.017 -2.417 1
1 930 . 16 1 1 A 78 78 ARG N N 78 122.000 117.422 4.578 1
1 931 . 16 1 1 A 79 79 GLU H H 79 8.020 8.745 -0.725 1
1 932 . 16 1 1 A 79 79 GLU HA H 79 4.230 4.671 -0.441 1
1 937 . 16 1 1 A 79 79 GLU C C 79 176.100 176.650 -0.550 1
1 938 . 16 1 1 A 79 79 GLU CA C 79 56.500 54.684 1.816 1
1 939 . 16 1 1 A 79 79 GLU CB C 79 30.200 31.892 -1.692 1
1 941 . 16 1 1 A 79 79 GLU N N 79 121.900 122.671 -0.771 1
1 942 . 16 1 1 A 80 80 ASN H H 80 8.510 8.684 -0.174 1
1 943 . 16 1 1 A 80 80 ASN HA H 80 4.690 4.783 -0.093 1
1 948 . 16 1 1 A 80 80 ASN C C 80 175.400 175.993 -0.593 1
1 949 . 16 1 1 A 80 80 ASN CA C 80 53.300 52.500 0.800 1
1 950 . 16 1 1 A 80 80 ASN CB C 80 38.500 36.394 2.106 1
1 951 . 16 1 1 A 80 80 ASN N N 80 120.000 118.996 1.004 1
1 953 . 16 1 1 A 81 81 ARG H H 81 8.400 8.233 0.167 1
1 954 . 16 1 1 A 81 81 ARG HA H 81 4.250 4.425 -0.175 1
1 961 . 16 1 1 A 81 81 ARG C C 81 175.600 176.873 -1.273 1
1 962 . 16 1 1 A 81 81 ARG CA C 81 56.500 57.419 -0.919 1
1 963 . 16 1 1 A 81 81 ARG CB C 81 30.800 30.916 -0.116 1
1 966 . 16 1 1 A 81 81 ARG N N 81 121.900 120.851 1.049 1
1 967 . 16 1 1 A 82 82 GLU H H 82 8.410 8.094 0.316 1
1 968 . 16 1 1 A 82 82 GLU HA H 82 4.240 4.328 -0.088 1
1 973 . 16 1 1 A 82 82 GLU C C 82 176.400 176.760 -0.360 1
1 974 . 16 1 1 A 82 82 GLU CA C 82 56.700 56.482 0.218 1
1 975 . 16 1 1 A 82 82 GLU CB C 82 29.900 30.082 -0.182 1
1 977 . 16 1 1 A 82 82 GLU N N 82 120.900 118.063 2.837 1
1 978 . 16 1 1 A 83 83 LEU H H 83 8.120 7.717 0.403 1
1 979 . 16 1 1 A 83 83 LEU HA H 83 4.310 4.520 -0.210 1
1 988 . 16 1 1 A 83 83 LEU C C 83 177.100 176.136 0.964 1
1 989 . 16 1 1 A 83 83 LEU CA C 83 55.200 53.861 1.339 1
1 990 . 16 1 1 A 83 83 LEU CB C 83 42.100 42.543 -0.443 1
1 994 . 16 1 1 A 83 83 LEU N N 83 122.800 122.090 0.710 1
1 995 . 16 1 1 A 84 84 ARG H H 84 8.260 7.593 0.667 1
1 996 . 16 1 1 A 84 84 ARG HA H 84 4.340 4.604 -0.264 1
1 999 . 16 1 1 A 84 84 ARG C C 84 176.000 175.863 0.137 1
1 1000 . 16 1 1 A 84 84 ARG CA C 84 55.900 55.498 0.402 1
1 1001 . 16 1 1 A 84 84 ARG CB C 84 30.600 30.564 0.036 1
1 1004 . 16 1 1 A 84 84 ARG N N 84 121.800 119.291 2.509 1
1 1005 . 16 1 1 A 85 85 ARG H H 85 8.390 8.651 -0.261 1
1 1006 . 16 1 1 A 85 85 ARG HA H 85 4.390 4.688 -0.298 1
1 1009 . 16 1 1 A 85 85 ARG C C 85 176.100 176.969 -0.869 1
1 1010 . 16 1 1 A 85 85 ARG CA C 85 56.000 54.392 1.608 1
1 1011 . 16 1 1 A 85 85 ARG CB C 85 31.000 33.099 -2.099 1
1 1014 . 16 1 1 A 85 85 ARG N N 85 122.800 123.961 -1.161 1
1 1015 . 16 1 1 A 86 86 SER H H 86 8.430 8.876 -0.446 1
1 1016 . 16 1 1 A 86 86 SER HA H 86 4.470 4.252 0.218 1
1 1019 . 16 1 1 A 86 86 SER C C 86 173.300 175.162 -1.862 1
1 1020 . 16 1 1 A 86 86 SER CA C 86 58.200 60.851 -2.651 1
1 1021 . 16 1 1 A 86 86 SER CB C 86 64.000 63.118 0.882 1
1 1022 . 16 1 1 A 86 86 SER N N 86 117.500 116.338 1.162 1
1 1023 . 16 1 1 A 87 87 ASN H H 87 8.120 8.390 -0.270 1
1 1024 . 16 1 1 A 87 87 ASN HA H 87 4.470 4.757 -0.287 1
1 1029 . 16 1 1 A 87 87 ASN CA C 87 54.800 52.463 2.337 1
1 1030 . 16 1 1 A 87 87 ASN CB C 87 40.100 37.734 2.366 1
1 1031 . 16 1 1 A 87 87 ASN N N 87 125.900 114.510 11.390 1
1 1033 . 16 1 1 A 88 88 ASP HA H 88 4.640 4.949 -0.309 1
1 1036 . 16 1 1 A 88 88 ASP C C 88 175.700 175.336 0.364 1
1 1037 . 16 1 1 A 88 88 ASP CA C 88 54.500 53.402 1.098 1
1 1038 . 16 1 1 A 88 88 ASP CB C 88 41.100 42.086 -0.986 1
1 1039 . 16 1 1 A 89 89 ILE H H 89 8.000 8.530 -0.530 1
1 1040 . 16 1 1 A 89 89 ILE HA H 89 4.160 4.501 -0.341 1
1 1050 . 16 1 1 A 89 89 ILE C C 89 175.200 175.254 -0.054 1
1 1051 . 16 1 1 A 89 89 ILE CA C 89 61.100 59.181 1.919 1
1 1052 . 16 1 1 A 89 89 ILE CB C 89 38.500 40.149 -1.649 1
1 1056 . 16 1 1 A 89 89 ILE N N 89 120.400 118.253 2.147 1
1 1057 . 16 1 1 A 90 90 LEU H H 90 7.880 8.659 -0.779 1
1 1058 . 16 1 1 A 90 90 LEU HA H 90 4.190 3.896 0.294 1
1 1067 . 16 1 1 A 90 90 LEU CA C 90 56.700 55.443 1.257 1
1 1068 . 16 1 1 A 90 90 LEU CB C 90 43.300 40.692 2.608 1
1 1072 . 16 1 1 A 90 90 LEU N N 90 131.900 120.569 11.331 1
1 1073 . 16 1 1 A 93 93 ALA HA H 93 4.370 4.511 -0.141 1
1 1077 . 16 1 1 A 93 93 ALA C C 93 176.600 177.706 -1.106 1
1 1078 . 16 1 1 A 93 93 ALA CA C 93 52.300 53.363 -1.063 1
1 1079 . 16 1 1 A 93 93 ALA CB C 93 19.200 20.016 -0.816 1
1 1080 . 16 1 1 A 94 94 SER H H 94 7.910 8.293 -0.383 1
1 1081 . 16 1 1 A 94 94 SER HA H 94 4.250 4.610 -0.360 1
1 1084 . 16 1 1 A 94 94 SER CA C 94 59.900 58.324 1.576 1
1 1085 . 16 1 1 A 94 94 SER CB C 94 64.700 65.087 -0.387 1
1 1 . 17 1 1 A 2 2 THR HA H 2 4.360 3.851 0.509 1
1 6 . 17 1 1 A 2 2 THR C C 2 174.300 173.708 0.592 1
1 7 . 17 1 1 A 2 2 THR CA C 2 61.900 66.084 -4.184 1
1 8 . 17 1 1 A 2 2 THR CB C 2 69.900 66.694 3.206 1
1 10 . 17 1 1 A 3 3 LYS H H 3 8.520 8.256 0.264 1
1 11 . 17 1 1 A 3 3 LYS HA H 3 4.320 4.393 -0.073 1
1 20 . 17 1 1 A 3 3 LYS C C 3 176.100 175.597 0.503 1
1 21 . 17 1 1 A 3 3 LYS CA C 3 56.400 55.304 1.096 1
1 22 . 17 1 1 A 3 3 LYS CB C 3 33.000 31.339 1.661 1
1 26 . 17 1 1 A 3 3 LYS N N 3 124.100 122.715 1.385 1
1 27 . 17 1 1 A 4 4 ASN H H 4 8.560 8.375 0.185 1
1 28 . 17 1 1 A 4 4 ASN HA H 4 4.760 4.760 0.000 1
1 33 . 17 1 1 A 4 4 ASN C C 4 175.200 175.432 -0.232 1
1 34 . 17 1 1 A 4 4 ASN CA C 4 53.300 53.201 0.099 1
1 35 . 17 1 1 A 4 4 ASN CB C 4 38.900 39.210 -0.310 1
1 36 . 17 1 1 A 4 4 ASN N N 4 120.200 123.286 -3.086 1
1 38 . 17 1 1 A 5 5 THR H H 5 8.130 8.615 -0.485 1
1 39 . 17 1 1 A 5 5 THR HA H 5 4.310 4.522 -0.212 1
1 44 . 17 1 1 A 5 5 THR C C 5 173.900 173.532 0.368 1
1 45 . 17 1 1 A 5 5 THR CA C 5 61.800 61.504 0.296 1
1 46 . 17 1 1 A 5 5 THR CB C 5 69.500 67.743 1.757 1
1 48 . 17 1 1 A 5 5 THR N N 5 114.900 116.325 -1.425 1
1 49 . 17 1 1 A 6 6 ARG H H 6 8.160 7.448 0.712 1
1 50 . 17 1 1 A 6 6 ARG HA H 6 4.300 4.788 -0.488 1
1 57 . 17 1 1 A 6 6 ARG C C 6 176.300 174.326 1.974 1
1 58 . 17 1 1 A 6 6 ARG CA C 6 56.300 55.332 0.968 1
1 59 . 17 1 1 A 6 6 ARG CB C 6 30.700 34.165 -3.465 1
1 62 . 17 1 1 A 6 6 ARG N N 6 123.600 123.545 0.055 1
1 63 . 17 1 1 A 7 7 PHE H H 7 8.460 8.727 -0.267 1
1 64 . 17 1 1 A 7 7 PHE HA H 7 4.760 4.493 0.267 1
1 72 . 17 1 1 A 7 7 PHE C C 7 175.000 175.226 -0.226 1
1 73 . 17 1 1 A 7 7 PHE CA C 7 56.700 57.661 -0.961 1
1 74 . 17 1 1 A 7 7 PHE CB C 7 40.300 39.518 0.782 1
1 80 . 17 1 1 A 7 7 PHE N N 7 121.500 122.108 -0.608 1
1 81 . 17 1 1 A 8 8 SER H H 8 8.520 8.704 -0.184 1
1 82 . 17 1 1 A 8 8 SER HA H 8 4.600 4.702 -0.102 1
1 85 . 17 1 1 A 8 8 SER CA C 8 56.700 55.030 1.670 1
1 86 . 17 1 1 A 8 8 SER CB C 8 62.600 63.184 -0.584 1
1 87 . 17 1 1 A 8 8 SER N N 8 121.500 118.749 2.751 1
1 88 . 17 1 1 A 9 9 PRO HA H 9 3.920 4.292 -0.372 1
1 95 . 17 1 1 A 9 9 PRO C C 9 178.500 177.279 1.221 1
1 96 . 17 1 1 A 9 9 PRO CA C 9 65.800 64.828 0.972 1
1 97 . 17 1 1 A 9 9 PRO CB C 9 31.500 31.899 -0.399 1
1 100 . 17 1 1 A 10 10 GLU H H 10 8.610 8.411 0.199 1
1 101 . 17 1 1 A 10 10 GLU HA H 10 3.990 4.136 -0.146 1
1 106 . 17 1 1 A 10 10 GLU C C 10 179.100 178.760 0.340 1
1 107 . 17 1 1 A 10 10 GLU CA C 10 60.000 57.906 2.094 1
1 108 . 17 1 1 A 10 10 GLU CB C 10 28.800 28.716 0.084 1
1 110 . 17 1 1 A 10 10 GLU N N 10 116.600 115.769 0.831 1
1 111 . 17 1 1 A 11 11 VAL H H 11 7.510 8.063 -0.553 1
1 112 . 17 1 1 A 11 11 VAL HA H 11 3.610 3.449 0.161 1
1 120 . 17 1 1 A 11 11 VAL C C 11 177.700 177.523 0.177 1
1 121 . 17 1 1 A 11 11 VAL CA C 11 66.400 66.701 -0.301 1
1 122 . 17 1 1 A 11 11 VAL CB C 11 31.600 31.540 0.060 1
1 125 . 17 1 1 A 11 11 VAL N N 11 122.700 121.239 1.461 1
1 126 . 17 1 1 A 12 12 ARG H H 12 7.800 7.987 -0.187 1
1 127 . 17 1 1 A 12 12 ARG HA H 12 3.440 3.323 0.117 1
1 135 . 17 1 1 A 12 12 ARG C C 12 178.000 178.824 -0.824 1
1 136 . 17 1 1 A 12 12 ARG CA C 12 59.300 59.623 -0.323 1
1 137 . 17 1 1 A 12 12 ARG CB C 12 29.600 29.661 -0.061 1
1 140 . 17 1 1 A 12 12 ARG N N 12 118.700 119.530 -0.830 1
1 142 . 17 1 1 A 13 13 GLN H H 13 8.050 7.957 0.093 1
1 143 . 17 1 1 A 13 13 GLN HA H 13 3.860 3.954 -0.094 1
1 150 . 17 1 1 A 13 13 GLN C C 13 178.800 178.277 0.523 1
1 151 . 17 1 1 A 13 13 GLN CA C 13 58.600 58.910 -0.310 1
1 152 . 17 1 1 A 13 13 GLN CB C 13 28.300 28.629 -0.329 1
1 154 . 17 1 1 A 13 13 GLN N N 13 116.100 118.538 -2.438 1
1 156 . 17 1 1 A 14 14 ARG H H 14 7.750 7.912 -0.162 1
1 157 . 17 1 1 A 14 14 ARG HA H 14 3.970 4.078 -0.108 1
1 164 . 17 1 1 A 14 14 ARG C C 14 177.900 177.996 -0.096 1
1 165 . 17 1 1 A 14 14 ARG CA C 14 59.100 58.752 0.348 1
1 166 . 17 1 1 A 14 14 ARG CB C 14 30.000 29.718 0.282 1
1 169 . 17 1 1 A 14 14 ARG N N 14 120.400 119.945 0.455 1
1 170 . 17 1 1 A 15 15 ALA H H 15 8.500 8.522 -0.022 1
1 171 . 17 1 1 A 15 15 ALA HA H 15 4.040 4.095 -0.055 1
1 175 . 17 1 1 A 15 15 ALA C C 15 178.800 179.957 -1.157 1
1 176 . 17 1 1 A 15 15 ALA CA C 15 55.300 55.269 0.031 1
1 177 . 17 1 1 A 15 15 ALA CB C 15 19.700 18.383 1.317 1
1 178 . 17 1 1 A 15 15 ALA N N 15 122.200 122.396 -0.196 1
1 179 . 17 1 1 A 16 16 VAL H H 16 8.230 7.981 0.249 1
1 180 . 17 1 1 A 16 16 VAL HA H 16 3.360 3.416 -0.056 1
1 188 . 17 1 1 A 16 16 VAL C C 16 177.700 178.299 -0.599 1
1 189 . 17 1 1 A 16 16 VAL CA C 16 67.100 67.002 0.098 1
1 190 . 17 1 1 A 16 16 VAL CB C 16 31.600 31.275 0.325 1
1 193 . 17 1 1 A 16 16 VAL N N 16 116.500 118.597 -2.097 1
1 194 . 17 1 1 A 17 17 ARG H H 17 7.900 7.671 0.229 1
1 195 . 17 1 1 A 17 17 ARG HA H 17 3.830 3.971 -0.141 1
1 202 . 17 1 1 A 17 17 ARG C C 17 178.000 178.546 -0.546 1
1 203 . 17 1 1 A 17 17 ARG CA C 17 59.700 59.266 0.434 1
1 204 . 17 1 1 A 17 17 ARG CB C 17 29.200 29.563 -0.363 1
1 207 . 17 1 1 A 17 17 ARG N N 17 119.000 119.834 -0.834 1
1 208 . 17 1 1 A 18 18 MET H H 18 8.210 8.374 -0.164 1
1 209 . 17 1 1 A 18 18 MET HA H 18 4.090 4.191 -0.101 1
1 217 . 17 1 1 A 18 18 MET C C 18 179.400 178.765 0.635 1
1 218 . 17 1 1 A 18 18 MET CA C 18 59.500 58.429 1.071 1
1 219 . 17 1 1 A 18 18 MET CB C 18 33.600 32.612 0.988 1
1 222 . 17 1 1 A 18 18 MET N N 18 117.300 118.406 -1.106 1
1 223 . 17 1 1 A 19 19 VAL H H 19 7.790 8.191 -0.401 1
1 224 . 17 1 1 A 19 19 VAL HA H 19 3.390 3.716 -0.326 1
1 232 . 17 1 1 A 19 19 VAL C C 19 177.200 177.983 -0.783 1
1 233 . 17 1 1 A 19 19 VAL CA C 19 66.100 66.904 -0.804 1
1 234 . 17 1 1 A 19 19 VAL CB C 19 31.600 31.686 -0.086 1
1 237 . 17 1 1 A 19 19 VAL N N 19 119.900 119.707 0.193 1
1 238 . 17 1 1 A 20 20 LEU H H 20 8.280 7.935 0.345 1
1 239 . 17 1 1 A 20 20 LEU HA H 20 4.070 3.941 0.129 1
1 249 . 17 1 1 A 20 20 LEU C C 20 180.600 179.313 1.287 1
1 250 . 17 1 1 A 20 20 LEU CA C 20 57.900 58.094 -0.194 1
1 251 . 17 1 1 A 20 20 LEU CB C 20 40.800 40.745 0.055 1
1 255 . 17 1 1 A 20 20 LEU N N 20 118.400 118.783 -0.383 1
1 256 . 17 1 1 A 21 21 GLU H H 21 8.690 8.887 -0.197 1
1 257 . 17 1 1 A 21 21 GLU HA H 21 4.230 4.061 0.169 1
1 262 . 17 1 1 A 21 21 GLU C C 21 178.200 178.427 -0.227 1
1 263 . 17 1 1 A 21 21 GLU CA C 21 57.900 59.632 -1.732 1
1 264 . 17 1 1 A 21 21 GLU CB C 21 29.700 29.422 0.278 1
1 266 . 17 1 1 A 21 21 GLU N N 21 115.900 120.828 -4.928 1
1 267 . 17 1 1 A 22 22 SER H H 22 7.580 8.263 -0.683 1
1 268 . 17 1 1 A 22 22 SER HA H 22 4.790 4.252 0.538 1
1 271 . 17 1 1 A 22 22 SER C C 22 175.200 177.106 -1.906 1
1 272 . 17 1 1 A 22 22 SER CA C 22 59.500 60.521 -1.021 1
1 273 . 17 1 1 A 22 22 SER CB C 22 64.500 63.298 1.202 1
1 274 . 17 1 1 A 22 22 SER N N 22 113.000 114.473 -1.473 1
1 275 . 17 1 1 A 23 23 GLN H H 23 7.780 8.130 -0.350 1
1 276 . 17 1 1 A 23 23 GLN HA H 23 4.800 4.086 0.714 1
1 283 . 17 1 1 A 23 23 GLN C C 23 177.100 178.172 -1.072 1
1 284 . 17 1 1 A 23 23 GLN CA C 23 57.800 59.360 -1.560 1
1 285 . 17 1 1 A 23 23 GLN CB C 23 28.100 28.452 -0.352 1
1 287 . 17 1 1 A 23 23 GLN N N 23 119.900 121.352 -1.452 1
1 289 . 17 1 1 A 24 24 GLY H H 24 8.680 7.940 0.740 1
1 290 . 17 1 1 A 24 24 GLY HA2 H 24 3.860 3.939 -0.079 1
1 291 . 17 1 1 A 24 24 GLY HA3 H 24 4.110 3.942 0.168 1
1 292 . 17 1 1 A 24 24 GLY C C 24 175.100 174.829 0.271 1
1 293 . 17 1 1 A 24 24 GLY CA C 24 45.900 46.015 -0.115 1
1 294 . 17 1 1 A 24 24 GLY N N 24 108.500 106.912 1.588 1
1 295 . 17 1 1 A 25 25 GLU H H 25 8.110 7.775 0.335 1
1 296 . 17 1 1 A 25 25 GLU HA H 25 4.210 4.376 -0.166 1
1 301 . 17 1 1 A 25 25 GLU C C 25 175.400 176.091 -0.691 1
1 302 . 17 1 1 A 25 25 GLU CA C 25 56.100 57.332 -1.232 1
1 303 . 17 1 1 A 25 25 GLU CB C 25 29.700 31.643 -1.943 1
1 305 . 17 1 1 A 25 25 GLU N N 25 118.200 117.838 0.362 1
1 306 . 17 1 1 A 26 26 TYR H H 26 7.690 7.926 -0.236 1
1 307 . 17 1 1 A 26 26 TYR HA H 26 4.690 4.539 0.151 1
1 314 . 17 1 1 A 26 26 TYR C C 26 175.800 176.002 -0.202 1
1 315 . 17 1 1 A 26 26 TYR CA C 26 57.000 59.424 -2.424 1
1 316 . 17 1 1 A 26 26 TYR CB C 26 42.200 38.425 3.775 1
1 321 . 17 1 1 A 26 26 TYR N N 26 117.700 118.728 -1.028 1
1 322 . 17 1 1 A 27 27 ASP H H 27 8.850 8.906 -0.056 1
1 323 . 17 1 1 A 27 27 ASP HA H 27 4.520 4.531 -0.011 1
1 326 . 17 1 1 A 27 27 ASP C C 27 175.900 176.719 -0.819 1
1 327 . 17 1 1 A 27 27 ASP CA C 27 55.400 56.691 -1.291 1
1 328 . 17 1 1 A 27 27 ASP CB C 27 41.200 42.486 -1.286 1
1 329 . 17 1 1 A 27 27 ASP N N 27 117.500 124.391 -6.891 1
1 330 . 17 1 1 A 28 28 SER H H 28 7.550 8.041 -0.491 1
1 331 . 17 1 1 A 28 28 SER HA H 28 4.740 4.459 0.281 1
1 334 . 17 1 1 A 28 28 SER CA C 28 57.200 56.409 0.791 1
1 335 . 17 1 1 A 28 28 SER CB C 28 65.800 64.579 1.221 1
1 336 . 17 1 1 A 28 28 SER N N 28 109.000 112.197 -3.197 1
1 337 . 17 1 1 A 29 29 GLN HA H 29 3.950 4.131 -0.181 1
1 344 . 17 1 1 A 29 29 GLN C C 29 178.100 177.318 0.782 1
1 345 . 17 1 1 A 29 29 GLN CA C 29 60.200 58.294 1.906 1
1 346 . 17 1 1 A 29 29 GLN CB C 29 29.900 28.262 1.638 1
1 349 . 17 1 1 A 30 30 TRP H H 30 9.010 7.591 1.419 1
1 350 . 17 1 1 A 30 30 TRP HA H 30 4.720 4.467 0.253 1
1 359 . 17 1 1 A 30 30 TRP C C 30 177.100 179.142 -2.042 1
1 360 . 17 1 1 A 30 30 TRP CA C 30 59.300 60.036 -0.736 1
1 361 . 17 1 1 A 30 30 TRP CB C 30 30.000 28.863 1.137 1
1 367 . 17 1 1 A 30 30 TRP N N 30 121.400 120.342 1.058 1
1 369 . 17 1 1 A 31 31 ALA H H 31 8.360 7.848 0.512 1
1 370 . 17 1 1 A 31 31 ALA HA H 31 3.790 3.932 -0.142 1
1 374 . 17 1 1 A 31 31 ALA C C 31 180.300 179.370 0.930 1
1 375 . 17 1 1 A 31 31 ALA CA C 31 55.300 54.938 0.362 1
1 376 . 17 1 1 A 31 31 ALA CB C 31 18.200 17.693 0.507 1
1 377 . 17 1 1 A 31 31 ALA N N 31 121.600 122.331 -0.731 1
1 378 . 17 1 1 A 32 32 THR H H 32 7.420 7.208 0.212 1
1 379 . 17 1 1 A 32 32 THR HA H 32 2.620 3.758 -1.138 1
1 384 . 17 1 1 A 32 32 THR C C 32 176.700 176.299 0.401 1
1 385 . 17 1 1 A 32 32 THR CA C 32 66.200 67.147 -0.947 1
1 386 . 17 1 1 A 32 32 THR CB C 32 67.800 68.829 -1.029 1
1 388 . 17 1 1 A 32 32 THR N N 32 115.700 113.864 1.836 1
1 389 . 17 1 1 A 33 33 ILE H H 33 8.490 7.961 0.529 1
1 390 . 17 1 1 A 33 33 ILE HA H 33 3.180 3.679 -0.499 1
1 400 . 17 1 1 A 33 33 ILE C C 33 177.300 177.454 -0.154 1
1 401 . 17 1 1 A 33 33 ILE CA C 33 65.900 64.924 0.976 1
1 402 . 17 1 1 A 33 33 ILE CB C 33 37.700 37.460 0.240 1
1 406 . 17 1 1 A 33 33 ILE N N 33 124.100 119.818 4.282 1
1 407 . 17 1 1 A 34 34 CYS H H 34 8.060 8.162 -0.102 1
1 408 . 17 1 1 A 34 34 CYS HA H 34 3.610 4.070 -0.460 1
1 411 . 17 1 1 A 34 34 CYS C C 34 175.800 177.216 -1.416 1
1 412 . 17 1 1 A 34 34 CYS CA C 34 63.800 62.528 1.272 1
1 413 . 17 1 1 A 34 34 CYS CB C 34 26.400 26.697 -0.297 1
1 414 . 17 1 1 A 34 34 CYS N N 34 115.900 121.681 -5.781 1
1 415 . 17 1 1 A 35 35 SER H H 35 7.150 7.764 -0.614 1
1 416 . 17 1 1 A 35 35 SER HA H 35 4.260 4.309 -0.049 1
1 419 . 17 1 1 A 35 35 SER C C 35 175.500 176.560 -1.060 1
1 420 . 17 1 1 A 35 35 SER CA C 35 60.200 61.736 -1.536 1
1 421 . 17 1 1 A 35 35 SER CB C 35 63.600 63.388 0.212 1
1 422 . 17 1 1 A 35 35 SER N N 35 113.600 116.769 -3.169 1
1 423 . 17 1 1 A 36 36 ILE H H 36 7.650 7.581 0.069 1
1 424 . 17 1 1 A 36 36 ILE HA H 36 3.850 3.828 0.022 1
1 434 . 17 1 1 A 36 36 ILE C C 36 176.900 177.958 -1.058 1
1 435 . 17 1 1 A 36 36 ILE CA C 36 61.700 63.987 -2.287 1
1 436 . 17 1 1 A 36 36 ILE CB C 36 37.700 36.763 0.937 1
1 440 . 17 1 1 A 36 36 ILE N N 36 120.700 122.576 -1.876 1
1 441 . 17 1 1 A 37 37 ALA H H 37 8.200 8.060 0.140 1
1 442 . 17 1 1 A 37 37 ALA HA H 37 3.860 4.006 -0.146 1
1 446 . 17 1 1 A 37 37 ALA CA C 37 57.400 57.151 0.249 1
1 447 . 17 1 1 A 37 37 ALA CB C 37 14.900 17.056 -2.156 1
1 448 . 17 1 1 A 37 37 ALA N N 37 122.200 124.292 -2.092 1
1 449 . 17 1 1 A 38 38 PRO HA H 38 4.470 4.402 0.068 1
1 456 . 17 1 1 A 38 38 PRO C C 38 178.800 178.766 0.034 1
1 457 . 17 1 1 A 38 38 PRO CA C 38 65.600 64.666 0.934 1
1 458 . 17 1 1 A 38 38 PRO CB C 38 31.000 31.527 -0.527 1
1 461 . 17 1 1 A 39 39 LYS H H 39 7.680 7.769 -0.089 1
1 462 . 17 1 1 A 39 39 LYS HA H 39 4.150 4.099 0.051 1
1 471 . 17 1 1 A 39 39 LYS C C 39 177.800 178.380 -0.580 1
1 472 . 17 1 1 A 39 39 LYS CA C 39 58.000 59.470 -1.470 1
1 473 . 17 1 1 A 39 39 LYS CB C 39 31.800 32.249 -0.449 1
1 477 . 17 1 1 A 39 39 LYS N N 39 115.500 118.298 -2.798 1
1 478 . 17 1 1 A 40 40 ILE H H 40 7.540 7.414 0.126 1
1 479 . 17 1 1 A 40 40 ILE HA H 40 4.130 4.211 -0.081 1
1 489 . 17 1 1 A 40 40 ILE C C 40 176.500 176.411 0.089 1
1 490 . 17 1 1 A 40 40 ILE CA C 40 59.600 62.594 -2.994 1
1 491 . 17 1 1 A 40 40 ILE CB C 40 37.300 38.705 -1.405 1
1 495 . 17 1 1 A 40 40 ILE N N 40 117.500 117.545 -0.045 1
1 496 . 17 1 1 A 41 41 GLY H H 41 8.430 8.446 -0.016 1
1 497 . 17 1 1 A 41 41 GLY HA2 H 41 4.550 4.051 0.499 1
1 498 . 17 1 1 A 41 41 GLY HA3 H 41 3.790 4.066 -0.276 1
1 499 . 17 1 1 A 41 41 GLY C C 41 173.900 173.746 0.154 1
1 500 . 17 1 1 A 41 41 GLY CA C 41 44.900 45.940 -1.040 1
1 501 . 17 1 1 A 41 41 GLY N N 41 105.100 108.229 -3.129 1
1 502 . 17 1 1 A 42 42 CYS H H 42 7.360 7.865 -0.505 1
1 503 . 17 1 1 A 42 42 CYS HA H 42 5.220 5.036 0.184 1
1 506 . 17 1 1 A 42 42 CYS C C 42 173.100 173.193 -0.093 1
1 507 . 17 1 1 A 42 42 CYS CA C 42 53.300 57.972 -4.672 1
1 508 . 17 1 1 A 42 42 CYS CB C 42 31.700 32.908 -1.208 1
1 509 . 17 1 1 A 42 42 CYS N N 42 115.400 118.569 -3.169 1
1 510 . 17 1 1 A 43 43 THR H H 43 8.550 8.500 0.050 1
1 511 . 17 1 1 A 43 43 THR HA H 43 4.560 4.865 -0.305 1
1 516 . 17 1 1 A 43 43 THR CA C 43 59.800 59.489 0.311 1
1 517 . 17 1 1 A 43 43 THR CB C 43 68.500 69.273 -0.773 1
1 519 . 17 1 1 A 43 43 THR N N 43 111.500 114.057 -2.557 1
1 520 . 17 1 1 A 44 44 PRO HA H 44 3.680 4.128 -0.448 1
1 527 . 17 1 1 A 44 44 PRO C C 44 177.300 178.909 -1.609 1
1 528 . 17 1 1 A 44 44 PRO CA C 44 65.200 65.608 -0.408 1
1 529 . 17 1 1 A 44 44 PRO CB C 44 32.400 31.665 0.735 1
1 532 . 17 1 1 A 45 45 GLU H H 45 8.900 8.300 0.600 1
1 533 . 17 1 1 A 45 45 GLU HA H 45 3.990 4.002 -0.012 1
1 538 . 17 1 1 A 45 45 GLU C C 45 179.000 179.300 -0.300 1
1 539 . 17 1 1 A 45 45 GLU CA C 45 61.300 59.501 1.799 1
1 540 . 17 1 1 A 45 45 GLU CB C 45 28.200 29.171 -0.971 1
1 542 . 17 1 1 A 45 45 GLU N N 45 117.100 117.905 -0.805 1
1 543 . 17 1 1 A 46 46 THR H H 46 7.680 7.498 0.182 1
1 544 . 17 1 1 A 46 46 THR HA H 46 3.560 3.647 -0.087 1
1 549 . 17 1 1 A 46 46 THR C C 46 173.800 175.590 -1.790 1
1 550 . 17 1 1 A 46 46 THR CA C 46 66.300 66.814 -0.514 1
1 551 . 17 1 1 A 46 46 THR CB C 46 68.000 67.427 0.573 1
1 553 . 17 1 1 A 46 46 THR N N 46 118.800 117.939 0.861 1
1 554 . 17 1 1 A 47 47 LEU H H 47 7.040 7.720 -0.680 1
1 555 . 17 1 1 A 47 47 LEU HA H 47 3.170 3.610 -0.440 1
1 565 . 17 1 1 A 47 47 LEU C C 47 177.500 178.429 -0.929 1
1 566 . 17 1 1 A 47 47 LEU CA C 47 56.800 57.536 -0.736 1
1 567 . 17 1 1 A 47 47 LEU CB C 47 40.500 41.662 -1.162 1
1 571 . 17 1 1 A 47 47 LEU N N 47 120.600 120.679 -0.079 1
1 572 . 17 1 1 A 48 48 ARG H H 48 8.430 8.095 0.335 1
1 573 . 17 1 1 A 48 48 ARG HA H 48 3.880 3.894 -0.014 1
1 580 . 17 1 1 A 48 48 ARG C C 48 177.400 178.493 -1.093 1
1 581 . 17 1 1 A 48 48 ARG CA C 48 60.200 58.978 1.222 1
1 582 . 17 1 1 A 48 48 ARG CB C 48 30.500 29.573 0.927 1
1 585 . 17 1 1 A 48 48 ARG N N 48 118.200 119.605 -1.405 1
1 586 . 17 1 1 A 49 49 VAL H H 49 7.400 7.633 -0.233 1
1 587 . 17 1 1 A 49 49 VAL HA H 49 3.630 3.562 0.068 1
1 595 . 17 1 1 A 49 49 VAL C C 49 178.900 178.275 0.625 1
1 596 . 17 1 1 A 49 49 VAL CA C 49 67.200 66.362 0.838 1
1 597 . 17 1 1 A 49 49 VAL CB C 49 30.700 31.515 -0.815 1
1 600 . 17 1 1 A 49 49 VAL N N 49 120.300 118.911 1.389 1
1 601 . 17 1 1 A 50 50 TRP H H 50 7.850 7.859 -0.009 1
1 602 . 17 1 1 A 50 50 TRP HA H 50 4.740 4.457 0.283 1
1 611 . 17 1 1 A 50 50 TRP C C 50 180.400 179.075 1.325 1
1 612 . 17 1 1 A 50 50 TRP CA C 50 57.800 59.996 -2.196 1
1 613 . 17 1 1 A 50 50 TRP CB C 50 28.700 29.305 -0.605 1
1 619 . 17 1 1 A 50 50 TRP N N 50 120.300 119.972 0.328 1
1 621 . 17 1 1 A 51 51 VAL H H 51 8.820 8.329 0.491 1
1 622 . 17 1 1 A 51 51 VAL HA H 51 3.690 3.695 -0.005 1
1 630 . 17 1 1 A 51 51 VAL C C 51 177.700 178.247 -0.547 1
1 631 . 17 1 1 A 51 51 VAL CA C 51 66.800 66.816 -0.016 1
1 632 . 17 1 1 A 51 51 VAL CB C 51 32.000 31.471 0.529 1
1 635 . 17 1 1 A 51 51 VAL N N 51 121.300 120.051 1.249 1
1 636 . 17 1 1 A 52 52 ARG H H 52 8.740 7.857 0.883 1
1 637 . 17 1 1 A 52 52 ARG HA H 52 4.260 4.205 0.055 1
1 644 . 17 1 1 A 52 52 ARG C C 52 179.500 179.204 0.296 1
1 645 . 17 1 1 A 52 52 ARG CA C 52 58.900 59.532 -0.632 1
1 646 . 17 1 1 A 52 52 ARG CB C 52 29.900 29.572 0.328 1
1 649 . 17 1 1 A 52 52 ARG N N 52 120.200 120.162 0.038 1
1 650 . 17 1 1 A 53 53 GLN H H 53 8.540 8.476 0.064 1
1 651 . 17 1 1 A 53 53 GLN HA H 53 4.050 4.158 -0.108 1
1 658 . 17 1 1 A 53 53 GLN C C 53 177.600 178.618 -1.018 1
1 659 . 17 1 1 A 53 53 GLN CA C 53 58.700 58.727 -0.027 1
1 660 . 17 1 1 A 53 53 GLN CB C 53 28.100 28.891 -0.791 1
1 662 . 17 1 1 A 53 53 GLN N N 53 119.100 118.349 0.751 1
1 664 . 17 1 1 A 54 54 HIS H H 54 8.010 8.294 -0.284 1
1 665 . 17 1 1 A 54 54 HIS HA H 54 4.410 4.258 0.152 1
1 668 . 17 1 1 A 54 54 HIS C C 54 177.800 177.735 0.065 1
1 669 . 17 1 1 A 54 54 HIS CA C 54 59.700 60.213 -0.513 1
1 670 . 17 1 1 A 54 54 HIS CB C 54 30.600 29.689 0.911 1
1 671 . 17 1 1 A 54 54 HIS N N 54 119.300 121.337 -2.037 1
1 672 . 17 1 1 A 55 55 GLU H H 55 8.460 7.999 0.461 1
1 673 . 17 1 1 A 55 55 GLU HA H 55 3.940 3.757 0.183 1
1 678 . 17 1 1 A 55 55 GLU C C 55 178.400 179.151 -0.751 1
1 679 . 17 1 1 A 55 55 GLU CA C 55 58.800 59.945 -1.145 1
1 680 . 17 1 1 A 55 55 GLU CB C 55 29.800 29.474 0.326 1
1 682 . 17 1 1 A 55 55 GLU N N 55 119.700 119.030 0.670 1
1 683 . 17 1 1 A 56 56 ARG H H 56 7.990 7.981 0.009 1
1 684 . 17 1 1 A 56 56 ARG HA H 56 4.160 4.006 0.154 1
1 691 . 17 1 1 A 56 56 ARG C C 56 177.800 177.942 -0.142 1
1 692 . 17 1 1 A 56 56 ARG CA C 56 58.100 59.045 -0.945 1
1 693 . 17 1 1 A 56 56 ARG CB C 56 30.100 29.940 0.160 1
1 696 . 17 1 1 A 56 56 ARG N N 56 119.200 120.466 -1.266 1
1 697 . 17 1 1 A 57 57 ASP H H 57 8.300 8.415 -0.115 1
1 698 . 17 1 1 A 57 57 ASP HA H 57 4.550 4.351 0.199 1
1 701 . 17 1 1 A 57 57 ASP C C 57 177.400 178.890 -1.490 1
1 702 . 17 1 1 A 57 57 ASP CA C 57 55.800 57.424 -1.624 1
1 703 . 17 1 1 A 57 57 ASP CB C 57 40.800 41.374 -0.574 1
1 704 . 17 1 1 A 57 57 ASP N N 57 120.000 119.711 0.289 1
1 705 . 17 1 1 A 58 58 THR H H 58 7.890 7.257 0.633 1
1 706 . 17 1 1 A 58 58 THR HA H 58 4.310 4.091 0.219 1
1 711 . 17 1 1 A 58 58 THR C C 58 175.500 175.720 -0.220 1
1 712 . 17 1 1 A 58 58 THR CA C 58 62.200 65.785 -3.585 1
1 713 . 17 1 1 A 58 58 THR CB C 58 69.800 68.992 0.808 1
1 715 . 17 1 1 A 58 58 THR N N 58 111.300 111.858 -0.558 1
1 716 . 17 1 1 A 59 59 GLY H H 59 8.070 7.678 0.392 1
1 717 . 17 1 1 A 59 59 GLY HA2 H 59 4.010 4.082 -0.072 1
1 718 . 17 1 1 A 59 59 GLY HA3 H 59 4.010 4.086 -0.076 1
1 719 . 17 1 1 A 59 59 GLY C C 59 174.700 174.635 0.065 1
1 720 . 17 1 1 A 59 59 GLY CA C 59 45.600 45.751 -0.151 1
1 721 . 17 1 1 A 59 59 GLY N N 59 110.600 105.330 5.270 1
1 722 . 17 1 1 A 60 60 GLY H H 60 8.260 8.453 -0.193 1
1 723 . 17 1 1 A 60 60 GLY HA2 H 60 3.990 3.855 0.135 1
1 724 . 17 1 1 A 60 60 GLY HA3 H 60 3.990 3.858 0.132 1
1 725 . 17 1 1 A 60 60 GLY C C 60 173.900 174.679 -0.779 1
1 726 . 17 1 1 A 60 60 GLY CA C 60 45.100 46.743 -1.643 1
1 727 . 17 1 1 A 60 60 GLY N N 60 108.700 111.683 -2.983 1
1 728 . 17 1 1 A 61 61 ASP H H 61 8.320 7.960 0.360 1
1 729 . 17 1 1 A 61 61 ASP HA H 61 4.650 4.956 -0.306 1
1 732 . 17 1 1 A 61 61 ASP C C 61 176.200 175.901 0.299 1
1 733 . 17 1 1 A 61 61 ASP CA C 61 54.200 55.781 -1.581 1
1 734 . 17 1 1 A 61 61 ASP CB C 61 41.300 42.563 -1.263 1
1 735 . 17 1 1 A 61 61 ASP N N 61 120.500 120.930 -0.430 1
1 736 . 17 1 1 A 62 62 ASP H H 62 8.400 8.286 0.114 1
1 737 . 17 1 1 A 62 62 ASP HA H 62 4.600 4.235 0.365 1
1 740 . 17 1 1 A 62 62 ASP C C 62 177.100 174.906 2.194 1
1 741 . 17 1 1 A 62 62 ASP CA C 62 54.200 54.926 -0.726 1
1 742 . 17 1 1 A 62 62 ASP CB C 62 41.100 39.794 1.306 1
1 743 . 17 1 1 A 62 62 ASP N N 62 121.100 118.123 2.977 1
1 744 . 17 1 1 A 63 63 GLY H H 63 8.500 8.364 0.136 1
1 745 . 17 1 1 A 63 63 GLY HA2 H 63 3.950 4.121 -0.171 1
1 746 . 17 1 1 A 63 63 GLY HA3 H 63 3.950 4.121 -0.171 1
1 747 . 17 1 1 A 63 63 GLY C C 63 175.000 173.735 1.265 1
1 748 . 17 1 1 A 63 63 GLY CA C 63 45.700 44.514 1.186 1
1 749 . 17 1 1 A 63 63 GLY N N 63 109.400 110.295 -0.895 1
1 750 . 17 1 1 A 64 64 GLY H H 64 8.360 8.568 -0.208 1
1 751 . 17 1 1 A 64 64 GLY HA2 H 64 3.950 3.840 0.110 1
1 752 . 17 1 1 A 64 64 GLY HA3 H 64 3.950 3.840 0.110 1
1 753 . 17 1 1 A 64 64 GLY C C 64 174.300 174.834 -0.534 1
1 754 . 17 1 1 A 64 64 GLY CA C 64 45.300 47.288 -1.988 1
1 755 . 17 1 1 A 64 64 GLY N N 64 108.700 108.321 0.379 1
1 756 . 17 1 1 A 65 65 LEU H H 65 8.020 8.200 -0.180 1
1 757 . 17 1 1 A 65 65 LEU HA H 65 4.460 4.457 0.003 1
1 767 . 17 1 1 A 65 65 LEU C C 65 178.000 178.418 -0.418 1
1 768 . 17 1 1 A 65 65 LEU CA C 65 55.200 54.850 0.350 1
1 769 . 17 1 1 A 65 65 LEU CB C 65 42.700 42.719 -0.019 1
1 773 . 17 1 1 A 65 65 LEU N N 65 121.300 125.378 -4.078 1
1 774 . 17 1 1 A 66 66 THR H H 66 8.470 7.317 1.153 1
1 775 . 17 1 1 A 66 66 THR HA H 66 4.440 4.071 0.369 1
1 780 . 17 1 1 A 66 66 THR C C 66 175.200 174.713 0.487 1
1 781 . 17 1 1 A 66 66 THR CA C 66 61.600 64.730 -3.130 1
1 782 . 17 1 1 A 66 66 THR CB C 66 70.200 69.300 0.900 1
1 784 . 17 1 1 A 66 66 THR N N 66 114.300 113.526 0.774 1
1 785 . 17 1 1 A 67 67 THR H H 67 8.370 7.628 0.742 1
1 786 . 17 1 1 A 67 67 THR HA H 67 4.110 4.455 -0.345 1
1 791 . 17 1 1 A 67 67 THR C C 67 175.300 173.142 2.158 1
1 792 . 17 1 1 A 67 67 THR CA C 67 63.900 61.075 2.825 1
1 793 . 17 1 1 A 67 67 THR CB C 67 69.100 68.781 0.319 1
1 795 . 17 1 1 A 67 67 THR N N 67 116.600 109.686 6.914 1
1 796 . 17 1 1 A 68 68 ALA H H 68 8.340 8.774 -0.434 1
1 797 . 17 1 1 A 68 68 ALA HA H 68 4.220 4.531 -0.311 1
1 801 . 17 1 1 A 68 68 ALA C C 68 179.100 176.191 2.909 1
1 802 . 17 1 1 A 68 68 ALA CA C 68 53.800 51.313 2.487 1
1 803 . 17 1 1 A 68 68 ALA CB C 68 18.700 17.701 0.999 1
1 804 . 17 1 1 A 68 68 ALA N N 68 124.500 130.753 -6.253 1
1 805 . 17 1 1 A 69 69 GLU H H 69 8.090 7.693 0.397 1
1 806 . 17 1 1 A 69 69 GLU HA H 69 4.140 4.698 -0.558 1
1 811 . 17 1 1 A 69 69 GLU C C 69 177.800 174.819 2.981 1
1 812 . 17 1 1 A 69 69 GLU CA C 69 57.700 56.234 1.466 1
1 813 . 17 1 1 A 69 69 GLU CB C 69 30.100 33.859 -3.759 1
1 815 . 17 1 1 A 69 69 GLU N N 69 119.000 122.506 -3.506 1
1 816 . 17 1 1 A 70 70 ARG H H 70 8.300 8.991 -0.691 1
1 817 . 17 1 1 A 70 70 ARG HA H 70 4.140 4.585 -0.445 1
1 824 . 17 1 1 A 70 70 ARG C C 70 177.400 175.940 1.460 1
1 825 . 17 1 1 A 70 70 ARG CA C 70 57.500 57.030 0.470 1
1 826 . 17 1 1 A 70 70 ARG CB C 70 30.300 32.927 -2.627 1
1 829 . 17 1 1 A 70 70 ARG N N 70 120.400 123.427 -3.027 1
1 830 . 17 1 1 A 71 71 GLN H H 71 8.200 7.709 0.491 1
1 831 . 17 1 1 A 71 71 GLN HA H 71 4.200 4.707 -0.507 1
1 838 . 17 1 1 A 71 71 GLN C C 71 176.600 175.114 1.486 1
1 839 . 17 1 1 A 71 71 GLN CA C 71 56.800 54.339 2.461 1
1 840 . 17 1 1 A 71 71 GLN CB C 71 28.900 31.398 -2.498 1
1 842 . 17 1 1 A 71 71 GLN N N 71 119.500 117.241 2.259 1
1 844 . 17 1 1 A 72 72 ARG H H 72 7.990 8.643 -0.653 1
1 845 . 17 1 1 A 72 72 ARG HA H 72 4.240 4.467 -0.227 1
1 847 . 17 1 1 A 72 72 ARG C C 72 176.600 175.806 0.794 1
1 848 . 17 1 1 A 72 72 ARG CA C 72 56.900 55.613 1.287 1
1 849 . 17 1 1 A 72 72 ARG CB C 72 30.500 28.422 2.078 1
1 852 . 17 1 1 A 72 72 ARG N N 72 120.600 125.280 -4.680 1
1 853 . 17 1 1 A 73 73 LEU H H 73 7.980 8.294 -0.314 1
1 854 . 17 1 1 A 73 73 LEU HA H 73 4.280 4.554 -0.274 1
1 864 . 17 1 1 A 73 73 LEU C C 73 177.100 177.152 -0.052 1
1 865 . 17 1 1 A 73 73 LEU CA C 73 55.300 56.402 -1.102 1
1 866 . 17 1 1 A 73 73 LEU CB C 73 42.200 43.743 -1.543 1
1 870 . 17 1 1 A 73 73 LEU N N 73 121.400 124.836 -3.436 1
1 871 . 17 1 1 A 74 74 LYS H H 74 8.050 8.390 -0.340 1
1 872 . 17 1 1 A 74 74 LYS HA H 74 4.300 4.366 -0.066 1
1 881 . 17 1 1 A 74 74 LYS C C 74 176.100 177.644 -1.544 1
1 882 . 17 1 1 A 74 74 LYS CA C 74 56.000 55.914 0.086 1
1 883 . 17 1 1 A 74 74 LYS CB C 74 33.000 32.007 0.993 1
1 887 . 17 1 1 A 74 74 LYS N N 74 121.000 117.235 3.765 1
1 888 . 17 1 1 A 75 75 GLU H H 75 8.360 7.965 0.395 1
1 889 . 17 1 1 A 75 75 GLU HA H 75 4.550 4.127 0.423 1
1 894 . 17 1 1 A 75 75 GLU CA C 75 54.400 61.349 -6.949 1
1 895 . 17 1 1 A 75 75 GLU CB C 75 29.600 27.489 2.111 1
1 897 . 17 1 1 A 75 75 GLU N N 75 123.800 120.468 3.332 1
1 898 . 17 1 1 A 76 76 PRO HA H 76 4.410 4.363 0.047 1
1 905 . 17 1 1 A 76 76 PRO C C 76 177.000 176.724 0.276 1
1 906 . 17 1 1 A 76 76 PRO CA C 76 63.300 64.054 -0.754 1
1 907 . 17 1 1 A 76 76 PRO CB C 76 32.000 31.940 0.060 1
1 910 . 17 1 1 A 77 77 GLU H H 77 8.580 7.627 0.953 1
1 911 . 17 1 1 A 77 77 GLU HA H 77 4.220 4.140 0.080 1
1 916 . 17 1 1 A 77 77 GLU C C 77 176.700 176.269 0.431 1
1 917 . 17 1 1 A 77 77 GLU CA C 77 56.800 57.256 -0.456 1
1 918 . 17 1 1 A 77 77 GLU CB C 77 29.900 28.546 1.354 1
1 920 . 17 1 1 A 77 77 GLU N N 77 120.800 115.664 5.136 1
1 921 . 17 1 1 A 78 78 ARG H H 78 8.330 8.517 -0.187 1
1 922 . 17 1 1 A 78 78 ARG HA H 78 4.270 4.541 -0.271 1
1 925 . 17 1 1 A 78 78 ARG C C 78 176.500 175.969 0.531 1
1 926 . 17 1 1 A 78 78 ARG CA C 78 56.700 56.099 0.601 1
1 927 . 17 1 1 A 78 78 ARG CB C 78 30.600 30.404 0.196 1
1 930 . 17 1 1 A 78 78 ARG N N 78 122.000 122.685 -0.685 1
1 931 . 17 1 1 A 79 79 GLU H H 79 8.020 7.570 0.450 1
1 932 . 17 1 1 A 79 79 GLU HA H 79 4.230 4.539 -0.309 1
1 937 . 17 1 1 A 79 79 GLU C C 79 176.100 177.101 -1.001 1
1 938 . 17 1 1 A 79 79 GLU CA C 79 56.500 55.622 0.878 1
1 939 . 17 1 1 A 79 79 GLU CB C 79 30.200 28.693 1.507 1
1 941 . 17 1 1 A 79 79 GLU N N 79 121.900 120.477 1.423 1
1 942 . 17 1 1 A 80 80 ASN H H 80 8.510 8.195 0.315 1
1 943 . 17 1 1 A 80 80 ASN HA H 80 4.690 4.643 0.047 1
1 948 . 17 1 1 A 80 80 ASN C C 80 175.400 174.587 0.813 1
1 949 . 17 1 1 A 80 80 ASN CA C 80 53.300 52.951 0.349 1
1 950 . 17 1 1 A 80 80 ASN CB C 80 38.500 37.470 1.030 1
1 951 . 17 1 1 A 80 80 ASN N N 80 120.000 122.763 -2.763 1
1 953 . 17 1 1 A 81 81 ARG H H 81 8.400 7.437 0.963 1
1 954 . 17 1 1 A 81 81 ARG HA H 81 4.250 5.004 -0.754 1
1 961 . 17 1 1 A 81 81 ARG C C 81 175.600 175.053 0.547 1
1 962 . 17 1 1 A 81 81 ARG CA C 81 56.500 54.027 2.473 1
1 963 . 17 1 1 A 81 81 ARG CB C 81 30.800 33.811 -3.011 1
1 966 . 17 1 1 A 81 81 ARG N N 81 121.900 121.054 0.846 1
1 967 . 17 1 1 A 82 82 GLU H H 82 8.410 8.460 -0.050 1
1 968 . 17 1 1 A 82 82 GLU HA H 82 4.240 4.402 -0.162 1
1 973 . 17 1 1 A 82 82 GLU C C 82 176.400 176.034 0.366 1
1 974 . 17 1 1 A 82 82 GLU CA C 82 56.700 55.932 0.768 1
1 975 . 17 1 1 A 82 82 GLU CB C 82 29.900 30.307 -0.407 1
1 977 . 17 1 1 A 82 82 GLU N N 82 120.900 123.460 -2.560 1
1 978 . 17 1 1 A 83 83 LEU H H 83 8.120 8.474 -0.354 1
1 979 . 17 1 1 A 83 83 LEU HA H 83 4.310 4.412 -0.102 1
1 988 . 17 1 1 A 83 83 LEU C C 83 177.100 175.878 1.222 1
1 989 . 17 1 1 A 83 83 LEU CA C 83 55.200 54.843 0.357 1
1 990 . 17 1 1 A 83 83 LEU CB C 83 42.100 42.293 -0.193 1
1 994 . 17 1 1 A 83 83 LEU N N 83 122.800 122.508 0.292 1
1 995 . 17 1 1 A 84 84 ARG H H 84 8.260 8.982 -0.722 1
1 996 . 17 1 1 A 84 84 ARG HA H 84 4.340 5.018 -0.678 1
1 999 . 17 1 1 A 84 84 ARG C C 84 176.000 173.813 2.187 1
1 1000 . 17 1 1 A 84 84 ARG CA C 84 55.900 54.113 1.787 1
1 1001 . 17 1 1 A 84 84 ARG CB C 84 30.600 34.225 -3.625 1
1 1004 . 17 1 1 A 84 84 ARG N N 84 121.800 119.251 2.549 1
1 1005 . 17 1 1 A 85 85 ARG H H 85 8.390 8.717 -0.327 1
1 1006 . 17 1 1 A 85 85 ARG HA H 85 4.390 4.762 -0.372 1
1 1009 . 17 1 1 A 85 85 ARG C C 85 176.100 175.008 1.092 1
1 1010 . 17 1 1 A 85 85 ARG CA C 85 56.000 54.696 1.304 1
1 1011 . 17 1 1 A 85 85 ARG CB C 85 31.000 31.399 -0.399 1
1 1014 . 17 1 1 A 85 85 ARG N N 85 122.800 121.766 1.034 1
1 1015 . 17 1 1 A 86 86 SER H H 86 8.430 8.324 0.106 1
1 1016 . 17 1 1 A 86 86 SER HA H 86 4.470 4.390 0.080 1
1 1019 . 17 1 1 A 86 86 SER C C 86 173.300 174.628 -1.328 1
1 1020 . 17 1 1 A 86 86 SER CA C 86 58.200 60.257 -2.057 1
1 1021 . 17 1 1 A 86 86 SER CB C 86 64.000 63.396 0.604 1
1 1022 . 17 1 1 A 86 86 SER N N 86 117.500 122.156 -4.656 1
1 1023 . 17 1 1 A 87 87 ASN H H 87 8.120 8.996 -0.876 1
1 1024 . 17 1 1 A 87 87 ASN HA H 87 4.470 5.431 -0.961 1
1 1029 . 17 1 1 A 87 87 ASN CA C 87 54.800 51.196 3.604 1
1 1030 . 17 1 1 A 87 87 ASN CB C 87 40.100 42.761 -2.661 1
1 1031 . 17 1 1 A 87 87 ASN N N 87 125.900 121.941 3.959 1
1 1033 . 17 1 1 A 88 88 ASP HA H 88 4.640 5.129 -0.489 1
1 1036 . 17 1 1 A 88 88 ASP C C 88 175.700 174.896 0.804 1
1 1037 . 17 1 1 A 88 88 ASP CA C 88 54.500 53.303 1.197 1
1 1038 . 17 1 1 A 88 88 ASP CB C 88 41.100 40.755 0.345 1
1 1039 . 17 1 1 A 89 89 ILE H H 89 8.000 8.966 -0.966 1
1 1040 . 17 1 1 A 89 89 ILE HA H 89 4.160 4.737 -0.577 1
1 1050 . 17 1 1 A 89 89 ILE C C 89 175.200 174.742 0.458 1
1 1051 . 17 1 1 A 89 89 ILE CA C 89 61.100 60.603 0.497 1
1 1052 . 17 1 1 A 89 89 ILE CB C 89 38.500 39.340 -0.840 1
1 1056 . 17 1 1 A 89 89 ILE N N 89 120.400 124.671 -4.271 1
1 1057 . 17 1 1 A 90 90 LEU H H 90 7.880 8.936 -1.056 1
1 1058 . 17 1 1 A 90 90 LEU HA H 90 4.190 4.416 -0.226 1
1 1067 . 17 1 1 A 90 90 LEU CA C 90 56.700 55.555 1.145 1
1 1068 . 17 1 1 A 90 90 LEU CB C 90 43.300 42.804 0.496 1
1 1072 . 17 1 1 A 90 90 LEU N N 90 131.900 129.396 2.504 1
1 1073 . 17 1 1 A 93 93 ALA HA H 93 4.370 3.966 0.404 1
1 1077 . 17 1 1 A 93 93 ALA C C 93 176.600 177.295 -0.695 1
1 1078 . 17 1 1 A 93 93 ALA CA C 93 52.300 52.838 -0.538 1
1 1079 . 17 1 1 A 93 93 ALA CB C 93 19.200 17.487 1.713 1
1 1080 . 17 1 1 A 94 94 SER H H 94 7.910 8.085 -0.175 1
1 1081 . 17 1 1 A 94 94 SER HA H 94 4.250 4.430 -0.180 1
1 1084 . 17 1 1 A 94 94 SER CA C 94 59.900 60.756 -0.856 1
1 1085 . 17 1 1 A 94 94 SER CB C 94 64.700 63.343 1.357 1
1 1 . 18 1 1 A 2 2 THR HA H 2 4.360 3.868 0.492 1
1 6 . 18 1 1 A 2 2 THR C C 2 174.300 174.146 0.154 1
1 7 . 18 1 1 A 2 2 THR CA C 2 61.900 62.262 -0.362 1
1 8 . 18 1 1 A 2 2 THR CB C 2 69.900 67.104 2.796 1
1 10 . 18 1 1 A 3 3 LYS H H 3 8.520 7.860 0.660 1
1 11 . 18 1 1 A 3 3 LYS HA H 3 4.320 4.494 -0.174 1
1 20 . 18 1 1 A 3 3 LYS C C 3 176.100 176.710 -0.610 1
1 21 . 18 1 1 A 3 3 LYS CA C 3 56.400 56.486 -0.086 1
1 22 . 18 1 1 A 3 3 LYS CB C 3 33.000 32.651 0.349 1
1 26 . 18 1 1 A 3 3 LYS N N 3 124.100 122.062 2.038 1
1 27 . 18 1 1 A 4 4 ASN H H 4 8.560 7.637 0.923 1
1 28 . 18 1 1 A 4 4 ASN HA H 4 4.760 4.707 0.053 1
1 33 . 18 1 1 A 4 4 ASN C C 4 175.200 173.633 1.567 1
1 34 . 18 1 1 A 4 4 ASN CA C 4 53.300 52.507 0.793 1
1 35 . 18 1 1 A 4 4 ASN CB C 4 38.900 38.153 0.747 1
1 36 . 18 1 1 A 4 4 ASN N N 4 120.200 120.795 -0.595 1
1 38 . 18 1 1 A 5 5 THR H H 5 8.130 8.489 -0.359 1
1 39 . 18 1 1 A 5 5 THR HA H 5 4.310 4.652 -0.342 1
1 44 . 18 1 1 A 5 5 THR C C 5 173.900 173.358 0.542 1
1 45 . 18 1 1 A 5 5 THR CA C 5 61.800 62.329 -0.529 1
1 46 . 18 1 1 A 5 5 THR CB C 5 69.500 68.532 0.968 1
1 48 . 18 1 1 A 5 5 THR N N 5 114.900 120.359 -5.459 1
1 49 . 18 1 1 A 6 6 ARG H H 6 8.160 8.800 -0.640 1
1 50 . 18 1 1 A 6 6 ARG HA H 6 4.300 4.828 -0.528 1
1 57 . 18 1 1 A 6 6 ARG C C 6 176.300 175.116 1.184 1
1 58 . 18 1 1 A 6 6 ARG CA C 6 56.300 53.891 2.409 1
1 59 . 18 1 1 A 6 6 ARG CB C 6 30.700 33.734 -3.034 1
1 62 . 18 1 1 A 6 6 ARG N N 6 123.600 128.394 -4.794 1
1 63 . 18 1 1 A 7 7 PHE H H 7 8.460 8.165 0.295 1
1 64 . 18 1 1 A 7 7 PHE HA H 7 4.760 4.588 0.172 1
1 72 . 18 1 1 A 7 7 PHE C C 7 175.000 175.724 -0.724 1
1 73 . 18 1 1 A 7 7 PHE CA C 7 56.700 57.603 -0.903 1
1 74 . 18 1 1 A 7 7 PHE CB C 7 40.300 38.940 1.360 1
1 80 . 18 1 1 A 7 7 PHE N N 7 121.500 123.253 -1.753 1
1 81 . 18 1 1 A 8 8 SER H H 8 8.520 8.420 0.100 1
1 82 . 18 1 1 A 8 8 SER HA H 8 4.600 4.588 0.012 1
1 85 . 18 1 1 A 8 8 SER CA C 8 56.700 57.561 -0.861 1
1 86 . 18 1 1 A 8 8 SER CB C 8 62.600 62.529 0.071 1
1 87 . 18 1 1 A 8 8 SER N N 8 121.500 120.605 0.895 1
1 88 . 18 1 1 A 9 9 PRO HA H 9 3.920 4.313 -0.393 1
1 95 . 18 1 1 A 9 9 PRO C C 9 178.500 178.735 -0.235 1
1 96 . 18 1 1 A 9 9 PRO CA C 9 65.800 65.733 0.067 1
1 97 . 18 1 1 A 9 9 PRO CB C 9 31.500 31.617 -0.117 1
1 100 . 18 1 1 A 10 10 GLU H H 10 8.610 8.471 0.139 1
1 101 . 18 1 1 A 10 10 GLU HA H 10 3.990 4.020 -0.030 1
1 106 . 18 1 1 A 10 10 GLU C C 10 179.100 179.347 -0.247 1
1 107 . 18 1 1 A 10 10 GLU CA C 10 60.000 59.489 0.511 1
1 108 . 18 1 1 A 10 10 GLU CB C 10 28.800 29.228 -0.428 1
1 110 . 18 1 1 A 10 10 GLU N N 10 116.600 117.837 -1.237 1
1 111 . 18 1 1 A 11 11 VAL H H 11 7.510 7.814 -0.304 1
1 112 . 18 1 1 A 11 11 VAL HA H 11 3.610 3.445 0.165 1
1 120 . 18 1 1 A 11 11 VAL C C 11 177.700 177.705 -0.005 1
1 121 . 18 1 1 A 11 11 VAL CA C 11 66.400 66.637 -0.237 1
1 122 . 18 1 1 A 11 11 VAL CB C 11 31.600 31.479 0.121 1
1 125 . 18 1 1 A 11 11 VAL N N 11 122.700 120.562 2.138 1
1 126 . 18 1 1 A 12 12 ARG H H 12 7.800 7.801 -0.001 1
1 127 . 18 1 1 A 12 12 ARG HA H 12 3.440 2.940 0.500 1
1 135 . 18 1 1 A 12 12 ARG C C 12 178.000 178.845 -0.845 1
1 136 . 18 1 1 A 12 12 ARG CA C 12 59.300 59.464 -0.164 1
1 137 . 18 1 1 A 12 12 ARG CB C 12 29.600 29.378 0.222 1
1 140 . 18 1 1 A 12 12 ARG N N 12 118.700 119.209 -0.509 1
1 142 . 18 1 1 A 13 13 GLN H H 13 8.050 7.895 0.155 1
1 143 . 18 1 1 A 13 13 GLN HA H 13 3.860 3.918 -0.058 1
1 150 . 18 1 1 A 13 13 GLN C C 13 178.800 178.147 0.653 1
1 151 . 18 1 1 A 13 13 GLN CA C 13 58.600 58.824 -0.224 1
1 152 . 18 1 1 A 13 13 GLN CB C 13 28.300 28.367 -0.067 1
1 154 . 18 1 1 A 13 13 GLN N N 13 116.100 118.333 -2.233 1
1 156 . 18 1 1 A 14 14 ARG H H 14 7.750 8.145 -0.395 1
1 157 . 18 1 1 A 14 14 ARG HA H 14 3.970 3.926 0.044 1
1 164 . 18 1 1 A 14 14 ARG C C 14 177.900 178.148 -0.248 1
1 165 . 18 1 1 A 14 14 ARG CA C 14 59.100 59.493 -0.393 1
1 166 . 18 1 1 A 14 14 ARG CB C 14 30.000 29.978 0.022 1
1 169 . 18 1 1 A 14 14 ARG N N 14 120.400 120.624 -0.224 1
1 170 . 18 1 1 A 15 15 ALA H H 15 8.500 7.805 0.695 1
1 171 . 18 1 1 A 15 15 ALA HA H 15 4.040 4.041 -0.001 1
1 175 . 18 1 1 A 15 15 ALA C C 15 178.800 179.796 -0.996 1
1 176 . 18 1 1 A 15 15 ALA CA C 15 55.300 55.080 0.220 1
1 177 . 18 1 1 A 15 15 ALA CB C 15 19.700 18.616 1.084 1
1 178 . 18 1 1 A 15 15 ALA N N 15 122.200 120.780 1.420 1
1 179 . 18 1 1 A 16 16 VAL H H 16 8.230 7.878 0.352 1
1 180 . 18 1 1 A 16 16 VAL HA H 16 3.360 3.377 -0.017 1
1 188 . 18 1 1 A 16 16 VAL C C 16 177.700 178.065 -0.365 1
1 189 . 18 1 1 A 16 16 VAL CA C 16 67.100 66.829 0.271 1
1 190 . 18 1 1 A 16 16 VAL CB C 16 31.600 31.337 0.263 1
1 193 . 18 1 1 A 16 16 VAL N N 16 116.500 118.079 -1.579 1
1 194 . 18 1 1 A 17 17 ARG H H 17 7.900 7.922 -0.022 1
1 195 . 18 1 1 A 17 17 ARG HA H 17 3.830 3.891 -0.061 1
1 202 . 18 1 1 A 17 17 ARG C C 17 178.000 178.534 -0.534 1
1 203 . 18 1 1 A 17 17 ARG CA C 17 59.700 59.622 0.078 1
1 204 . 18 1 1 A 17 17 ARG CB C 17 29.200 30.113 -0.913 1
1 207 . 18 1 1 A 17 17 ARG N N 17 119.000 119.993 -0.993 1
1 208 . 18 1 1 A 18 18 MET H H 18 8.210 8.454 -0.244 1
1 209 . 18 1 1 A 18 18 MET HA H 18 4.090 4.314 -0.224 1
1 217 . 18 1 1 A 18 18 MET C C 18 179.400 179.022 0.378 1
1 218 . 18 1 1 A 18 18 MET CA C 18 59.500 58.819 0.681 1
1 219 . 18 1 1 A 18 18 MET CB C 18 33.600 32.559 1.041 1
1 222 . 18 1 1 A 18 18 MET N N 18 117.300 118.360 -1.060 1
1 223 . 18 1 1 A 19 19 VAL H H 19 7.790 8.230 -0.440 1
1 224 . 18 1 1 A 19 19 VAL HA H 19 3.390 3.676 -0.286 1
1 232 . 18 1 1 A 19 19 VAL C C 19 177.200 178.261 -1.061 1
1 233 . 18 1 1 A 19 19 VAL CA C 19 66.100 66.546 -0.446 1
1 234 . 18 1 1 A 19 19 VAL CB C 19 31.600 31.469 0.131 1
1 237 . 18 1 1 A 19 19 VAL N N 19 119.900 119.895 0.005 1
1 238 . 18 1 1 A 20 20 LEU H H 20 8.280 8.074 0.206 1
1 239 . 18 1 1 A 20 20 LEU HA H 20 4.070 3.947 0.123 1
1 249 . 18 1 1 A 20 20 LEU C C 20 180.600 179.260 1.340 1
1 250 . 18 1 1 A 20 20 LEU CA C 20 57.900 58.135 -0.235 1
1 251 . 18 1 1 A 20 20 LEU CB C 20 40.800 41.097 -0.297 1
1 255 . 18 1 1 A 20 20 LEU N N 20 118.400 119.719 -1.319 1
1 256 . 18 1 1 A 21 21 GLU H H 21 8.690 8.601 0.089 1
1 257 . 18 1 1 A 21 21 GLU HA H 21 4.230 3.932 0.298 1
1 262 . 18 1 1 A 21 21 GLU C C 21 178.200 179.117 -0.917 1
1 263 . 18 1 1 A 21 21 GLU CA C 21 57.900 59.848 -1.948 1
1 264 . 18 1 1 A 21 21 GLU CB C 21 29.700 29.258 0.442 1
1 266 . 18 1 1 A 21 21 GLU N N 21 115.900 118.977 -3.077 1
1 267 . 18 1 1 A 22 22 SER H H 22 7.580 8.180 -0.600 1
1 268 . 18 1 1 A 22 22 SER HA H 22 4.790 4.591 0.199 1
1 271 . 18 1 1 A 22 22 SER C C 22 175.200 176.719 -1.519 1
1 272 . 18 1 1 A 22 22 SER CA C 22 59.500 60.763 -1.263 1
1 273 . 18 1 1 A 22 22 SER CB C 22 64.500 63.396 1.104 1
1 274 . 18 1 1 A 22 22 SER N N 22 113.000 117.309 -4.309 1
1 275 . 18 1 1 A 23 23 GLN H H 23 7.780 8.352 -0.572 1
1 276 . 18 1 1 A 23 23 GLN HA H 23 4.800 4.132 0.668 1
1 283 . 18 1 1 A 23 23 GLN C C 23 177.100 178.232 -1.132 1
1 284 . 18 1 1 A 23 23 GLN CA C 23 57.800 59.347 -1.547 1
1 285 . 18 1 1 A 23 23 GLN CB C 23 28.100 28.481 -0.381 1
1 287 . 18 1 1 A 23 23 GLN N N 23 119.900 122.586 -2.686 1
1 289 . 18 1 1 A 24 24 GLY H H 24 8.680 8.004 0.676 1
1 290 . 18 1 1 A 24 24 GLY HA2 H 24 3.860 3.972 -0.112 1
1 291 . 18 1 1 A 24 24 GLY HA3 H 24 4.110 3.978 0.132 1
1 292 . 18 1 1 A 24 24 GLY C C 24 175.100 174.381 0.719 1
1 293 . 18 1 1 A 24 24 GLY CA C 24 45.900 45.727 0.173 1
1 294 . 18 1 1 A 24 24 GLY N N 24 108.500 106.859 1.641 1
1 295 . 18 1 1 A 25 25 GLU H H 25 8.110 7.762 0.348 1
1 296 . 18 1 1 A 25 25 GLU HA H 25 4.210 4.389 -0.179 1
1 301 . 18 1 1 A 25 25 GLU C C 25 175.400 175.804 -0.404 1
1 302 . 18 1 1 A 25 25 GLU CA C 25 56.100 57.089 -0.989 1
1 303 . 18 1 1 A 25 25 GLU CB C 25 29.700 32.634 -2.934 1
1 305 . 18 1 1 A 25 25 GLU N N 25 118.200 117.673 0.527 1
1 306 . 18 1 1 A 26 26 TYR H H 26 7.690 8.285 -0.595 1
1 307 . 18 1 1 A 26 26 TYR HA H 26 4.690 4.631 0.059 1
1 314 . 18 1 1 A 26 26 TYR C C 26 175.800 176.072 -0.272 1
1 315 . 18 1 1 A 26 26 TYR CA C 26 57.000 58.495 -1.495 1
1 316 . 18 1 1 A 26 26 TYR CB C 26 42.200 39.845 2.355 1
1 321 . 18 1 1 A 26 26 TYR N N 26 117.700 118.027 -0.327 1
1 322 . 18 1 1 A 27 27 ASP H H 27 8.850 8.999 -0.149 1
1 323 . 18 1 1 A 27 27 ASP HA H 27 4.520 4.649 -0.129 1
1 326 . 18 1 1 A 27 27 ASP C C 27 175.900 176.025 -0.125 1
1 327 . 18 1 1 A 27 27 ASP CA C 27 55.400 54.531 0.869 1
1 328 . 18 1 1 A 27 27 ASP CB C 27 41.200 41.660 -0.460 1
1 329 . 18 1 1 A 27 27 ASP N N 27 117.500 121.306 -3.806 1
1 330 . 18 1 1 A 28 28 SER H H 28 7.550 8.060 -0.510 1
1 331 . 18 1 1 A 28 28 SER HA H 28 4.740 4.963 -0.223 1
1 334 . 18 1 1 A 28 28 SER CA C 28 57.200 58.066 -0.866 1
1 335 . 18 1 1 A 28 28 SER CB C 28 65.800 64.968 0.832 1
1 336 . 18 1 1 A 28 28 SER N N 28 109.000 115.103 -6.103 1
1 337 . 18 1 1 A 29 29 GLN HA H 29 3.950 4.219 -0.269 1
1 344 . 18 1 1 A 29 29 GLN C C 29 178.100 177.065 1.035 1
1 345 . 18 1 1 A 29 29 GLN CA C 29 60.200 58.627 1.573 1
1 346 . 18 1 1 A 29 29 GLN CB C 29 29.900 28.356 1.544 1
1 349 . 18 1 1 A 30 30 TRP H H 30 9.010 8.295 0.715 1
1 350 . 18 1 1 A 30 30 TRP HA H 30 4.720 4.275 0.445 1
1 359 . 18 1 1 A 30 30 TRP C C 30 177.100 178.870 -1.770 1
1 360 . 18 1 1 A 30 30 TRP CA C 30 59.300 61.329 -2.029 1
1 361 . 18 1 1 A 30 30 TRP CB C 30 30.000 29.363 0.637 1
1 367 . 18 1 1 A 30 30 TRP N N 30 121.400 121.940 -0.540 1
1 369 . 18 1 1 A 31 31 ALA H H 31 8.360 7.961 0.399 1
1 370 . 18 1 1 A 31 31 ALA HA H 31 3.790 4.121 -0.331 1
1 374 . 18 1 1 A 31 31 ALA C C 31 180.300 179.476 0.824 1
1 375 . 18 1 1 A 31 31 ALA CA C 31 55.300 54.813 0.487 1
1 376 . 18 1 1 A 31 31 ALA CB C 31 18.200 18.200 0.000 1
1 377 . 18 1 1 A 31 31 ALA N N 31 121.600 121.632 -0.032 1
1 378 . 18 1 1 A 32 32 THR H H 32 7.420 7.672 -0.252 1
1 379 . 18 1 1 A 32 32 THR HA H 32 2.620 3.588 -0.968 1
1 384 . 18 1 1 A 32 32 THR C C 32 176.700 176.189 0.511 1
1 385 . 18 1 1 A 32 32 THR CA C 32 66.200 67.086 -0.886 1
1 386 . 18 1 1 A 32 32 THR CB C 32 67.800 68.583 -0.783 1
1 388 . 18 1 1 A 32 32 THR N N 32 115.700 113.961 1.739 1
1 389 . 18 1 1 A 33 33 ILE H H 33 8.490 7.933 0.557 1
1 390 . 18 1 1 A 33 33 ILE HA H 33 3.180 3.586 -0.406 1
1 400 . 18 1 1 A 33 33 ILE C C 33 177.300 177.828 -0.528 1
1 401 . 18 1 1 A 33 33 ILE CA C 33 65.900 65.171 0.729 1
1 402 . 18 1 1 A 33 33 ILE CB C 33 37.700 37.574 0.126 1
1 406 . 18 1 1 A 33 33 ILE N N 33 124.100 120.770 3.330 1
1 407 . 18 1 1 A 34 34 CYS H H 34 8.060 7.591 0.469 1
1 408 . 18 1 1 A 34 34 CYS HA H 34 3.610 4.244 -0.634 1
1 411 . 18 1 1 A 34 34 CYS C C 34 175.800 175.541 0.259 1
1 412 . 18 1 1 A 34 34 CYS CA C 34 63.800 61.398 2.402 1
1 413 . 18 1 1 A 34 34 CYS CB C 34 26.400 26.595 -0.195 1
1 414 . 18 1 1 A 34 34 CYS N N 34 115.900 118.752 -2.852 1
1 415 . 18 1 1 A 35 35 SER H H 35 7.150 7.668 -0.518 1
1 416 . 18 1 1 A 35 35 SER HA H 35 4.260 4.472 -0.212 1
1 419 . 18 1 1 A 35 35 SER C C 35 175.500 175.459 0.041 1
1 420 . 18 1 1 A 35 35 SER CA C 35 60.200 61.397 -1.197 1
1 421 . 18 1 1 A 35 35 SER CB C 35 63.600 63.573 0.027 1
1 422 . 18 1 1 A 35 35 SER N N 35 113.600 116.707 -3.107 1
1 423 . 18 1 1 A 36 36 ILE H H 36 7.650 7.893 -0.243 1
1 424 . 18 1 1 A 36 36 ILE HA H 36 3.850 3.820 0.030 1
1 434 . 18 1 1 A 36 36 ILE C C 36 176.900 177.696 -0.796 1
1 435 . 18 1 1 A 36 36 ILE CA C 36 61.700 63.862 -2.162 1
1 436 . 18 1 1 A 36 36 ILE CB C 36 37.700 37.043 0.657 1
1 440 . 18 1 1 A 36 36 ILE N N 36 120.700 121.887 -1.187 1
1 441 . 18 1 1 A 37 37 ALA H H 37 8.200 8.177 0.023 1
1 442 . 18 1 1 A 37 37 ALA HA H 37 3.860 4.017 -0.157 1
1 446 . 18 1 1 A 37 37 ALA CA C 37 57.400 57.234 0.166 1
1 447 . 18 1 1 A 37 37 ALA CB C 37 14.900 16.931 -2.031 1
1 448 . 18 1 1 A 37 37 ALA N N 37 122.200 124.143 -1.943 1
1 449 . 18 1 1 A 38 38 PRO HA H 38 4.470 4.398 0.072 1
1 456 . 18 1 1 A 38 38 PRO C C 38 178.800 178.798 0.002 1
1 457 . 18 1 1 A 38 38 PRO CA C 38 65.600 64.974 0.626 1
1 458 . 18 1 1 A 38 38 PRO CB C 38 31.000 31.412 -0.412 1
1 461 . 18 1 1 A 39 39 LYS H H 39 7.680 7.828 -0.148 1
1 462 . 18 1 1 A 39 39 LYS HA H 39 4.150 4.094 0.056 1
1 471 . 18 1 1 A 39 39 LYS C C 39 177.800 179.025 -1.225 1
1 472 . 18 1 1 A 39 39 LYS CA C 39 58.000 59.606 -1.606 1
1 473 . 18 1 1 A 39 39 LYS CB C 39 31.800 32.439 -0.639 1
1 477 . 18 1 1 A 39 39 LYS N N 39 115.500 118.311 -2.811 1
1 478 . 18 1 1 A 40 40 ILE H H 40 7.540 7.446 0.094 1
1 479 . 18 1 1 A 40 40 ILE HA H 40 4.130 4.158 -0.028 1
1 489 . 18 1 1 A 40 40 ILE C C 40 176.500 176.681 -0.181 1
1 490 . 18 1 1 A 40 40 ILE CA C 40 59.600 62.149 -2.549 1
1 491 . 18 1 1 A 40 40 ILE CB C 40 37.300 38.699 -1.399 1
1 495 . 18 1 1 A 40 40 ILE N N 40 117.500 117.517 -0.017 1
1 496 . 18 1 1 A 41 41 GLY H H 41 8.430 8.535 -0.105 1
1 497 . 18 1 1 A 41 41 GLY HA2 H 41 4.550 3.982 0.568 1
1 498 . 18 1 1 A 41 41 GLY HA3 H 41 3.790 3.990 -0.200 1
1 499 . 18 1 1 A 41 41 GLY C C 41 173.900 174.157 -0.257 1
1 500 . 18 1 1 A 41 41 GLY CA C 41 44.900 46.469 -1.569 1
1 501 . 18 1 1 A 41 41 GLY N N 41 105.100 109.250 -4.150 1
1 502 . 18 1 1 A 42 42 CYS H H 42 7.360 7.634 -0.274 1
1 503 . 18 1 1 A 42 42 CYS HA H 42 5.220 4.925 0.295 1
1 506 . 18 1 1 A 42 42 CYS C C 42 173.100 173.736 -0.636 1
1 507 . 18 1 1 A 42 42 CYS CA C 42 53.300 58.258 -4.958 1
1 508 . 18 1 1 A 42 42 CYS CB C 42 31.700 31.325 0.375 1
1 509 . 18 1 1 A 42 42 CYS N N 42 115.400 118.772 -3.372 1
1 510 . 18 1 1 A 43 43 THR H H 43 8.550 8.667 -0.117 1
1 511 . 18 1 1 A 43 43 THR HA H 43 4.560 4.430 0.130 1
1 516 . 18 1 1 A 43 43 THR CA C 43 59.800 60.371 -0.571 1
1 517 . 18 1 1 A 43 43 THR CB C 43 68.500 68.938 -0.438 1
1 519 . 18 1 1 A 43 43 THR N N 43 111.500 114.940 -3.440 1
1 520 . 18 1 1 A 44 44 PRO HA H 44 3.680 4.195 -0.515 1
1 527 . 18 1 1 A 44 44 PRO C C 44 177.300 178.991 -1.691 1
1 528 . 18 1 1 A 44 44 PRO CA C 44 65.200 65.121 0.079 1
1 529 . 18 1 1 A 44 44 PRO CB C 44 32.400 32.013 0.387 1
1 532 . 18 1 1 A 45 45 GLU H H 45 8.900 8.237 0.663 1
1 533 . 18 1 1 A 45 45 GLU HA H 45 3.990 3.930 0.060 1
1 538 . 18 1 1 A 45 45 GLU C C 45 179.000 179.018 -0.018 1
1 539 . 18 1 1 A 45 45 GLU CA C 45 61.300 59.373 1.927 1
1 540 . 18 1 1 A 45 45 GLU CB C 45 28.200 29.105 -0.905 1
1 542 . 18 1 1 A 45 45 GLU N N 45 117.100 118.374 -1.274 1
1 543 . 18 1 1 A 46 46 THR H H 46 7.680 7.421 0.259 1
1 544 . 18 1 1 A 46 46 THR HA H 46 3.560 3.611 -0.051 1
1 549 . 18 1 1 A 46 46 THR C C 46 173.800 175.557 -1.757 1
1 550 . 18 1 1 A 46 46 THR CA C 46 66.300 66.283 0.017 1
1 551 . 18 1 1 A 46 46 THR CB C 46 68.000 67.123 0.877 1
1 553 . 18 1 1 A 46 46 THR N N 46 118.800 118.282 0.518 1
1 554 . 18 1 1 A 47 47 LEU H H 47 7.040 7.595 -0.555 1
1 555 . 18 1 1 A 47 47 LEU HA H 47 3.170 3.749 -0.579 1
1 565 . 18 1 1 A 47 47 LEU C C 47 177.500 178.669 -1.169 1
1 566 . 18 1 1 A 47 47 LEU CA C 47 56.800 57.800 -1.000 1
1 567 . 18 1 1 A 47 47 LEU CB C 47 40.500 41.590 -1.090 1
1 571 . 18 1 1 A 47 47 LEU N N 47 120.600 121.332 -0.732 1
1 572 . 18 1 1 A 48 48 ARG H H 48 8.430 7.931 0.499 1
1 573 . 18 1 1 A 48 48 ARG HA H 48 3.880 3.903 -0.023 1
1 580 . 18 1 1 A 48 48 ARG C C 48 177.400 178.665 -1.265 1
1 581 . 18 1 1 A 48 48 ARG CA C 48 60.200 59.455 0.745 1
1 582 . 18 1 1 A 48 48 ARG CB C 48 30.500 29.543 0.957 1
1 585 . 18 1 1 A 48 48 ARG N N 48 118.200 119.549 -1.349 1
1 586 . 18 1 1 A 49 49 VAL H H 49 7.400 7.208 0.192 1
1 587 . 18 1 1 A 49 49 VAL HA H 49 3.630 3.480 0.150 1
1 595 . 18 1 1 A 49 49 VAL C C 49 178.900 178.233 0.667 1
1 596 . 18 1 1 A 49 49 VAL CA C 49 67.200 66.194 1.006 1
1 597 . 18 1 1 A 49 49 VAL CB C 49 30.700 31.483 -0.783 1
1 600 . 18 1 1 A 49 49 VAL N N 49 120.300 119.323 0.977 1
1 601 . 18 1 1 A 50 50 TRP H H 50 7.850 7.795 0.055 1
1 602 . 18 1 1 A 50 50 TRP HA H 50 4.740 4.375 0.365 1
1 611 . 18 1 1 A 50 50 TRP C C 50 180.400 179.158 1.242 1
1 612 . 18 1 1 A 50 50 TRP CA C 50 57.800 59.989 -2.189 1
1 613 . 18 1 1 A 50 50 TRP CB C 50 28.700 29.273 -0.573 1
1 619 . 18 1 1 A 50 50 TRP N N 50 120.300 119.787 0.513 1
1 621 . 18 1 1 A 51 51 VAL H H 51 8.820 8.185 0.635 1
1 622 . 18 1 1 A 51 51 VAL HA H 51 3.690 3.712 -0.022 1
1 630 . 18 1 1 A 51 51 VAL C C 51 177.700 177.765 -0.065 1
1 631 . 18 1 1 A 51 51 VAL CA C 51 66.800 66.780 0.020 1
1 632 . 18 1 1 A 51 51 VAL CB C 51 32.000 31.523 0.477 1
1 635 . 18 1 1 A 51 51 VAL N N 51 121.300 120.123 1.177 1
1 636 . 18 1 1 A 52 52 ARG H H 52 8.740 8.177 0.563 1
1 637 . 18 1 1 A 52 52 ARG HA H 52 4.260 3.997 0.263 1
1 644 . 18 1 1 A 52 52 ARG C C 52 179.500 178.854 0.646 1
1 645 . 18 1 1 A 52 52 ARG CA C 52 58.900 60.174 -1.274 1
1 646 . 18 1 1 A 52 52 ARG CB C 52 29.900 30.238 -0.338 1
1 649 . 18 1 1 A 52 52 ARG N N 52 120.200 119.390 0.810 1
1 650 . 18 1 1 A 53 53 GLN H H 53 8.540 8.261 0.279 1
1 651 . 18 1 1 A 53 53 GLN HA H 53 4.050 4.116 -0.066 1
1 658 . 18 1 1 A 53 53 GLN C C 53 177.600 178.317 -0.717 1
1 659 . 18 1 1 A 53 53 GLN CA C 53 58.700 58.971 -0.271 1
1 660 . 18 1 1 A 53 53 GLN CB C 53 28.100 28.437 -0.337 1
1 662 . 18 1 1 A 53 53 GLN N N 53 119.100 119.306 -0.206 1
1 664 . 18 1 1 A 54 54 HIS H H 54 8.010 8.465 -0.455 1
1 665 . 18 1 1 A 54 54 HIS HA H 54 4.410 4.268 0.142 1
1 668 . 18 1 1 A 54 54 HIS C C 54 177.800 177.539 0.261 1
1 669 . 18 1 1 A 54 54 HIS CA C 54 59.700 59.817 -0.117 1
1 670 . 18 1 1 A 54 54 HIS CB C 54 30.600 29.643 0.957 1
1 671 . 18 1 1 A 54 54 HIS N N 54 119.300 119.776 -0.476 1
1 672 . 18 1 1 A 55 55 GLU H H 55 8.460 8.238 0.222 1
1 673 . 18 1 1 A 55 55 GLU HA H 55 3.940 4.070 -0.130 1
1 678 . 18 1 1 A 55 55 GLU C C 55 178.400 178.981 -0.581 1
1 679 . 18 1 1 A 55 55 GLU CA C 55 58.800 58.896 -0.096 1
1 680 . 18 1 1 A 55 55 GLU CB C 55 29.800 29.188 0.612 1
1 682 . 18 1 1 A 55 55 GLU N N 55 119.700 119.028 0.672 1
1 683 . 18 1 1 A 56 56 ARG H H 56 7.990 7.886 0.104 1
1 684 . 18 1 1 A 56 56 ARG HA H 56 4.160 4.089 0.071 1
1 691 . 18 1 1 A 56 56 ARG C C 56 177.800 178.336 -0.536 1
1 692 . 18 1 1 A 56 56 ARG CA C 56 58.100 58.582 -0.482 1
1 693 . 18 1 1 A 56 56 ARG CB C 56 30.100 29.704 0.396 1
1 696 . 18 1 1 A 56 56 ARG N N 56 119.200 121.113 -1.913 1
1 697 . 18 1 1 A 57 57 ASP H H 57 8.300 8.020 0.280 1
1 698 . 18 1 1 A 57 57 ASP HA H 57 4.550 4.441 0.109 1
1 701 . 18 1 1 A 57 57 ASP C C 57 177.400 176.881 0.519 1
1 702 . 18 1 1 A 57 57 ASP CA C 57 55.800 57.407 -1.607 1
1 703 . 18 1 1 A 57 57 ASP CB C 57 40.800 41.248 -0.448 1
1 704 . 18 1 1 A 57 57 ASP N N 57 120.000 120.134 -0.134 1
1 705 . 18 1 1 A 58 58 THR H H 58 7.890 7.610 0.280 1
1 706 . 18 1 1 A 58 58 THR HA H 58 4.310 4.245 0.065 1
1 711 . 18 1 1 A 58 58 THR C C 58 175.500 175.135 0.365 1
1 712 . 18 1 1 A 58 58 THR CA C 58 62.200 61.900 0.300 1
1 713 . 18 1 1 A 58 58 THR CB C 58 69.800 66.707 3.093 1
1 715 . 18 1 1 A 58 58 THR N N 58 111.300 112.512 -1.212 1
1 716 . 18 1 1 A 59 59 GLY H H 59 8.070 7.953 0.117 1
1 717 . 18 1 1 A 59 59 GLY HA2 H 59 4.010 4.119 -0.109 1
1 718 . 18 1 1 A 59 59 GLY HA3 H 59 4.010 4.121 -0.111 1
1 719 . 18 1 1 A 59 59 GLY C C 59 174.700 172.666 2.034 1
1 720 . 18 1 1 A 59 59 GLY CA C 59 45.600 45.048 0.552 1
1 721 . 18 1 1 A 59 59 GLY N N 59 110.600 115.526 -4.926 1
1 722 . 18 1 1 A 60 60 GLY H H 60 8.260 8.412 -0.152 1
1 723 . 18 1 1 A 60 60 GLY HA2 H 60 3.990 4.126 -0.136 1
1 724 . 18 1 1 A 60 60 GLY HA3 H 60 3.990 4.127 -0.137 1
1 725 . 18 1 1 A 60 60 GLY C C 60 173.900 171.963 1.937 1
1 726 . 18 1 1 A 60 60 GLY CA C 60 45.100 43.976 1.124 1
1 727 . 18 1 1 A 60 60 GLY N N 60 108.700 108.624 0.076 1
1 728 . 18 1 1 A 61 61 ASP H H 61 8.320 8.381 -0.061 1
1 729 . 18 1 1 A 61 61 ASP HA H 61 4.650 5.260 -0.610 1
1 732 . 18 1 1 A 61 61 ASP C C 61 176.200 176.440 -0.240 1
1 733 . 18 1 1 A 61 61 ASP CA C 61 54.200 52.760 1.440 1
1 734 . 18 1 1 A 61 61 ASP CB C 61 41.300 43.064 -1.764 1
1 735 . 18 1 1 A 61 61 ASP N N 61 120.500 119.901 0.599 1
1 736 . 18 1 1 A 62 62 ASP H H 62 8.400 9.165 -0.765 1
1 737 . 18 1 1 A 62 62 ASP HA H 62 4.600 4.330 0.270 1
1 740 . 18 1 1 A 62 62 ASP C C 62 177.100 176.370 0.730 1
1 741 . 18 1 1 A 62 62 ASP CA C 62 54.200 56.189 -1.989 1
1 742 . 18 1 1 A 62 62 ASP CB C 62 41.100 41.340 -0.240 1
1 743 . 18 1 1 A 62 62 ASP N N 62 121.100 126.263 -5.163 1
1 744 . 18 1 1 A 63 63 GLY H H 63 8.500 8.232 0.268 1
1 745 . 18 1 1 A 63 63 GLY HA2 H 63 3.950 3.908 0.042 1
1 746 . 18 1 1 A 63 63 GLY HA3 H 63 3.950 3.909 0.041 1
1 747 . 18 1 1 A 63 63 GLY C C 63 175.000 173.821 1.179 1
1 748 . 18 1 1 A 63 63 GLY CA C 63 45.700 45.155 0.545 1
1 749 . 18 1 1 A 63 63 GLY N N 63 109.400 106.936 2.464 1
1 750 . 18 1 1 A 64 64 GLY H H 64 8.360 7.837 0.523 1
1 751 . 18 1 1 A 64 64 GLY HA2 H 64 3.950 4.223 -0.273 1
1 752 . 18 1 1 A 64 64 GLY HA3 H 64 3.950 4.223 -0.273 1
1 753 . 18 1 1 A 64 64 GLY C C 64 174.300 174.898 -0.598 1
1 754 . 18 1 1 A 64 64 GLY CA C 64 45.300 44.029 1.271 1
1 755 . 18 1 1 A 64 64 GLY N N 64 108.700 108.434 0.266 1
1 756 . 18 1 1 A 65 65 LEU H H 65 8.020 8.473 -0.453 1
1 757 . 18 1 1 A 65 65 LEU HA H 65 4.460 4.134 0.326 1
1 767 . 18 1 1 A 65 65 LEU C C 65 178.000 177.339 0.661 1
1 768 . 18 1 1 A 65 65 LEU CA C 65 55.200 57.486 -2.286 1
1 769 . 18 1 1 A 65 65 LEU CB C 65 42.700 41.931 0.769 1
1 773 . 18 1 1 A 65 65 LEU N N 65 121.300 121.476 -0.176 1
1 774 . 18 1 1 A 66 66 THR H H 66 8.470 7.905 0.565 1
1 775 . 18 1 1 A 66 66 THR HA H 66 4.440 4.593 -0.153 1
1 780 . 18 1 1 A 66 66 THR C C 66 175.200 174.443 0.757 1
1 781 . 18 1 1 A 66 66 THR CA C 66 61.600 61.295 0.305 1
1 782 . 18 1 1 A 66 66 THR CB C 66 70.200 69.268 0.932 1
1 784 . 18 1 1 A 66 66 THR N N 66 114.300 110.322 3.978 1
1 785 . 18 1 1 A 67 67 THR H H 67 8.370 8.390 -0.020 1
1 786 . 18 1 1 A 67 67 THR HA H 67 4.110 3.981 0.129 1
1 791 . 18 1 1 A 67 67 THR C C 67 175.300 174.217 1.083 1
1 792 . 18 1 1 A 67 67 THR CA C 67 63.900 64.852 -0.952 1
1 793 . 18 1 1 A 67 67 THR CB C 67 69.100 67.388 1.712 1
1 795 . 18 1 1 A 67 67 THR N N 67 116.600 112.043 4.557 1
1 796 . 18 1 1 A 68 68 ALA H H 68 8.340 7.696 0.644 1
1 797 . 18 1 1 A 68 68 ALA HA H 68 4.220 4.392 -0.172 1
1 801 . 18 1 1 A 68 68 ALA C C 68 179.100 176.920 2.180 1
1 802 . 18 1 1 A 68 68 ALA CA C 68 53.800 53.266 0.534 1
1 803 . 18 1 1 A 68 68 ALA CB C 68 18.700 20.415 -1.715 1
1 804 . 18 1 1 A 68 68 ALA N N 68 124.500 120.755 3.745 1
1 805 . 18 1 1 A 69 69 GLU H H 69 8.090 7.993 0.097 1
1 806 . 18 1 1 A 69 69 GLU HA H 69 4.140 4.702 -0.562 1
1 811 . 18 1 1 A 69 69 GLU C C 69 177.800 176.216 1.584 1
1 812 . 18 1 1 A 69 69 GLU CA C 69 57.700 55.785 1.915 1
1 813 . 18 1 1 A 69 69 GLU CB C 69 30.100 32.481 -2.381 1
1 815 . 18 1 1 A 69 69 GLU N N 69 119.000 114.837 4.163 1
1 816 . 18 1 1 A 70 70 ARG H H 70 8.300 8.924 -0.624 1
1 817 . 18 1 1 A 70 70 ARG HA H 70 4.140 4.022 0.118 1
1 824 . 18 1 1 A 70 70 ARG C C 70 177.400 175.885 1.515 1
1 825 . 18 1 1 A 70 70 ARG CA C 70 57.500 59.746 -2.246 1
1 826 . 18 1 1 A 70 70 ARG CB C 70 30.300 30.355 -0.055 1
1 829 . 18 1 1 A 70 70 ARG N N 70 120.400 126.208 -5.808 1
1 830 . 18 1 1 A 71 71 GLN H H 71 8.200 7.782 0.418 1
1 831 . 18 1 1 A 71 71 GLN HA H 71 4.200 4.508 -0.308 1
1 838 . 18 1 1 A 71 71 GLN C C 71 176.600 174.214 2.386 1
1 839 . 18 1 1 A 71 71 GLN CA C 71 56.800 54.462 2.338 1
1 840 . 18 1 1 A 71 71 GLN CB C 71 28.900 28.419 0.481 1
1 842 . 18 1 1 A 71 71 GLN N N 71 119.500 116.850 2.650 1
1 844 . 18 1 1 A 72 72 ARG H H 72 7.990 8.851 -0.861 1
1 845 . 18 1 1 A 72 72 ARG HA H 72 4.240 4.531 -0.291 1
1 847 . 18 1 1 A 72 72 ARG C C 72 176.600 176.178 0.422 1
1 848 . 18 1 1 A 72 72 ARG CA C 72 56.900 56.164 0.736 1
1 849 . 18 1 1 A 72 72 ARG CB C 72 30.500 30.482 0.018 1
1 852 . 18 1 1 A 72 72 ARG N N 72 120.600 127.045 -6.445 1
1 853 . 18 1 1 A 73 73 LEU H H 73 7.980 9.000 -1.020 1
1 854 . 18 1 1 A 73 73 LEU HA H 73 4.280 4.613 -0.333 1
1 864 . 18 1 1 A 73 73 LEU C C 73 177.100 175.753 1.347 1
1 865 . 18 1 1 A 73 73 LEU CA C 73 55.300 54.039 1.261 1
1 866 . 18 1 1 A 73 73 LEU CB C 73 42.200 41.713 0.487 1
1 870 . 18 1 1 A 73 73 LEU N N 73 121.400 128.259 -6.859 1
1 871 . 18 1 1 A 74 74 LYS H H 74 8.050 7.664 0.386 1
1 872 . 18 1 1 A 74 74 LYS HA H 74 4.300 4.743 -0.443 1
1 881 . 18 1 1 A 74 74 LYS C C 74 176.100 175.449 0.651 1
1 882 . 18 1 1 A 74 74 LYS CA C 74 56.000 54.650 1.350 1
1 883 . 18 1 1 A 74 74 LYS CB C 74 33.000 35.960 -2.960 1
1 887 . 18 1 1 A 74 74 LYS N N 74 121.000 116.637 4.363 1
1 888 . 18 1 1 A 75 75 GLU H H 75 8.360 8.722 -0.362 1
1 889 . 18 1 1 A 75 75 GLU HA H 75 4.550 4.090 0.460 1
1 894 . 18 1 1 A 75 75 GLU CA C 75 54.400 57.212 -2.812 1
1 895 . 18 1 1 A 75 75 GLU CB C 75 29.600 28.649 0.951 1
1 897 . 18 1 1 A 75 75 GLU N N 75 123.800 118.167 5.633 1
1 898 . 18 1 1 A 76 76 PRO HA H 76 4.410 4.505 -0.095 1
1 905 . 18 1 1 A 76 76 PRO C C 76 177.000 175.713 1.287 1
1 906 . 18 1 1 A 76 76 PRO CA C 76 63.300 63.097 0.203 1
1 907 . 18 1 1 A 76 76 PRO CB C 76 32.000 31.770 0.230 1
1 910 . 18 1 1 A 77 77 GLU H H 77 8.580 8.716 -0.136 1
1 911 . 18 1 1 A 77 77 GLU HA H 77 4.220 4.741 -0.521 1
1 916 . 18 1 1 A 77 77 GLU C C 77 176.700 175.815 0.885 1
1 917 . 18 1 1 A 77 77 GLU CA C 77 56.800 54.948 1.852 1
1 918 . 18 1 1 A 77 77 GLU CB C 77 29.900 33.141 -3.241 1
1 920 . 18 1 1 A 77 77 GLU N N 77 120.800 123.206 -2.406 1
1 921 . 18 1 1 A 78 78 ARG H H 78 8.330 9.071 -0.741 1
1 922 . 18 1 1 A 78 78 ARG HA H 78 4.270 4.465 -0.195 1
1 925 . 18 1 1 A 78 78 ARG C C 78 176.500 176.488 0.012 1
1 926 . 18 1 1 A 78 78 ARG CA C 78 56.700 57.341 -0.641 1
1 927 . 18 1 1 A 78 78 ARG CB C 78 30.600 32.405 -1.805 1
1 930 . 18 1 1 A 78 78 ARG N N 78 122.000 125.089 -3.089 1
1 931 . 18 1 1 A 79 79 GLU H H 79 8.020 7.537 0.483 1
1 932 . 18 1 1 A 79 79 GLU HA H 79 4.230 4.529 -0.299 1
1 937 . 18 1 1 A 79 79 GLU C C 79 176.100 175.445 0.655 1
1 938 . 18 1 1 A 79 79 GLU CA C 79 56.500 55.751 0.749 1
1 939 . 18 1 1 A 79 79 GLU CB C 79 30.200 30.787 -0.587 1
1 941 . 18 1 1 A 79 79 GLU N N 79 121.900 116.144 5.756 1
1 942 . 18 1 1 A 80 80 ASN H H 80 8.510 8.273 0.237 1
1 943 . 18 1 1 A 80 80 ASN HA H 80 4.690 4.946 -0.256 1
1 948 . 18 1 1 A 80 80 ASN C C 80 175.400 175.273 0.127 1
1 949 . 18 1 1 A 80 80 ASN CA C 80 53.300 52.491 0.809 1
1 950 . 18 1 1 A 80 80 ASN CB C 80 38.500 36.870 1.630 1
1 951 . 18 1 1 A 80 80 ASN N N 80 120.000 119.495 0.505 1
1 953 . 18 1 1 A 81 81 ARG H H 81 8.400 8.804 -0.404 1
1 954 . 18 1 1 A 81 81 ARG HA H 81 4.250 4.542 -0.292 1
1 961 . 18 1 1 A 81 81 ARG C C 81 175.600 175.572 0.028 1
1 962 . 18 1 1 A 81 81 ARG CA C 81 56.500 55.845 0.655 1
1 963 . 18 1 1 A 81 81 ARG CB C 81 30.800 30.456 0.344 1
1 966 . 18 1 1 A 81 81 ARG N N 81 121.900 126.791 -4.891 1
1 967 . 18 1 1 A 82 82 GLU H H 82 8.410 7.537 0.873 1
1 968 . 18 1 1 A 82 82 GLU HA H 82 4.240 4.418 -0.178 1
1 973 . 18 1 1 A 82 82 GLU C C 82 176.400 176.372 0.028 1
1 974 . 18 1 1 A 82 82 GLU CA C 82 56.700 56.512 0.188 1
1 975 . 18 1 1 A 82 82 GLU CB C 82 29.900 30.202 -0.302 1
1 977 . 18 1 1 A 82 82 GLU N N 82 120.900 118.423 2.477 1
1 978 . 18 1 1 A 83 83 LEU H H 83 8.120 8.457 -0.337 1
1 979 . 18 1 1 A 83 83 LEU HA H 83 4.310 4.839 -0.529 1
1 988 . 18 1 1 A 83 83 LEU C C 83 177.100 176.108 0.992 1
1 989 . 18 1 1 A 83 83 LEU CA C 83 55.200 53.629 1.571 1
1 990 . 18 1 1 A 83 83 LEU CB C 83 42.100 42.956 -0.856 1
1 994 . 18 1 1 A 83 83 LEU N N 83 122.800 123.321 -0.521 1
1 995 . 18 1 1 A 84 84 ARG H H 84 8.260 8.437 -0.177 1
1 996 . 18 1 1 A 84 84 ARG HA H 84 4.340 4.613 -0.273 1
1 999 . 18 1 1 A 84 84 ARG C C 84 176.000 177.557 -1.557 1
1 1000 . 18 1 1 A 84 84 ARG CA C 84 55.900 54.630 1.270 1
1 1001 . 18 1 1 A 84 84 ARG CB C 84 30.600 32.198 -1.598 1
1 1004 . 18 1 1 A 84 84 ARG N N 84 121.800 119.726 2.074 1
1 1005 . 18 1 1 A 85 85 ARG H H 85 8.390 8.956 -0.566 1
1 1006 . 18 1 1 A 85 85 ARG HA H 85 4.390 4.132 0.258 1
1 1009 . 18 1 1 A 85 85 ARG C C 85 176.100 176.626 -0.526 1
1 1010 . 18 1 1 A 85 85 ARG CA C 85 56.000 57.751 -1.751 1
1 1011 . 18 1 1 A 85 85 ARG CB C 85 31.000 29.383 1.617 1
1 1014 . 18 1 1 A 85 85 ARG N N 85 122.800 121.293 1.507 1
1 1015 . 18 1 1 A 86 86 SER H H 86 8.430 7.798 0.632 1
1 1016 . 18 1 1 A 86 86 SER HA H 86 4.470 4.557 -0.087 1
1 1019 . 18 1 1 A 86 86 SER C C 86 173.300 174.167 -0.867 1
1 1020 . 18 1 1 A 86 86 SER CA C 86 58.200 59.768 -1.568 1
1 1021 . 18 1 1 A 86 86 SER CB C 86 64.000 64.567 -0.567 1
1 1022 . 18 1 1 A 86 86 SER N N 86 117.500 112.189 5.311 1
1 1023 . 18 1 1 A 87 87 ASN H H 87 8.120 8.065 0.055 1
1 1024 . 18 1 1 A 87 87 ASN HA H 87 4.470 4.546 -0.076 1
1 1029 . 18 1 1 A 87 87 ASN CA C 87 54.800 55.236 -0.436 1
1 1030 . 18 1 1 A 87 87 ASN CB C 87 40.100 37.054 3.046 1
1 1031 . 18 1 1 A 87 87 ASN N N 87 125.900 116.832 9.068 1
1 1033 . 18 1 1 A 88 88 ASP HA H 88 4.640 5.419 -0.779 1
1 1036 . 18 1 1 A 88 88 ASP C C 88 175.700 175.668 0.032 1
1 1037 . 18 1 1 A 88 88 ASP CA C 88 54.500 52.329 2.171 1
1 1038 . 18 1 1 A 88 88 ASP CB C 88 41.100 43.668 -2.568 1
1 1039 . 18 1 1 A 89 89 ILE H H 89 8.000 8.785 -0.785 1
1 1040 . 18 1 1 A 89 89 ILE HA H 89 4.160 4.554 -0.394 1
1 1050 . 18 1 1 A 89 89 ILE C C 89 175.200 175.257 -0.057 1
1 1051 . 18 1 1 A 89 89 ILE CA C 89 61.100 60.387 0.713 1
1 1052 . 18 1 1 A 89 89 ILE CB C 89 38.500 39.743 -1.243 1
1 1056 . 18 1 1 A 89 89 ILE N N 89 120.400 118.775 1.625 1
1 1057 . 18 1 1 A 90 90 LEU H H 90 7.880 7.448 0.432 1
1 1058 . 18 1 1 A 90 90 LEU HA H 90 4.190 4.874 -0.684 1
1 1067 . 18 1 1 A 90 90 LEU CA C 90 56.700 53.569 3.131 1
1 1068 . 18 1 1 A 90 90 LEU CB C 90 43.300 46.222 -2.922 1
1 1072 . 18 1 1 A 90 90 LEU N N 90 131.900 124.595 7.305 1
1 1073 . 18 1 1 A 93 93 ALA HA H 93 4.370 3.895 0.475 1
1 1077 . 18 1 1 A 93 93 ALA C C 93 176.600 176.886 -0.286 1
1 1078 . 18 1 1 A 93 93 ALA CA C 93 52.300 54.861 -2.561 1
1 1079 . 18 1 1 A 93 93 ALA CB C 93 19.200 17.964 1.236 1
1 1080 . 18 1 1 A 94 94 SER H H 94 7.910 8.064 -0.154 1
1 1081 . 18 1 1 A 94 94 SER HA H 94 4.250 4.931 -0.681 1
1 1084 . 18 1 1 A 94 94 SER CA C 94 59.900 57.332 2.568 1
1 1085 . 18 1 1 A 94 94 SER CB C 94 64.700 64.572 0.128 1
1 1 . 19 1 1 A 2 2 THR HA H 2 4.360 4.326 0.034 1
1 6 . 19 1 1 A 2 2 THR C C 2 174.300 174.656 -0.356 1
1 7 . 19 1 1 A 2 2 THR CA C 2 61.900 62.082 -0.182 1
1 8 . 19 1 1 A 2 2 THR CB C 2 69.900 68.932 0.968 1
1 10 . 19 1 1 A 3 3 LYS H H 3 8.520 8.577 -0.057 1
1 11 . 19 1 1 A 3 3 LYS HA H 3 4.320 4.584 -0.264 1
1 20 . 19 1 1 A 3 3 LYS C C 3 176.100 176.746 -0.646 1
1 21 . 19 1 1 A 3 3 LYS CA C 3 56.400 55.778 0.622 1
1 22 . 19 1 1 A 3 3 LYS CB C 3 33.000 33.729 -0.729 1
1 26 . 19 1 1 A 3 3 LYS N N 3 124.100 124.199 -0.099 1
1 27 . 19 1 1 A 4 4 ASN H H 4 8.560 8.157 0.403 1
1 28 . 19 1 1 A 4 4 ASN HA H 4 4.760 4.729 0.031 1
1 33 . 19 1 1 A 4 4 ASN C C 4 175.200 175.442 -0.242 1
1 34 . 19 1 1 A 4 4 ASN CA C 4 53.300 52.985 0.315 1
1 35 . 19 1 1 A 4 4 ASN CB C 4 38.900 37.658 1.242 1
1 36 . 19 1 1 A 4 4 ASN N N 4 120.200 116.267 3.933 1
1 38 . 19 1 1 A 5 5 THR H H 5 8.130 7.485 0.645 1
1 39 . 19 1 1 A 5 5 THR HA H 5 4.310 4.183 0.127 1
1 44 . 19 1 1 A 5 5 THR C C 5 173.900 173.448 0.452 1
1 45 . 19 1 1 A 5 5 THR CA C 5 61.800 62.608 -0.808 1
1 46 . 19 1 1 A 5 5 THR CB C 5 69.500 67.579 1.921 1
1 48 . 19 1 1 A 5 5 THR N N 5 114.900 117.571 -2.671 1
1 49 . 19 1 1 A 6 6 ARG H H 6 8.160 8.403 -0.243 1
1 50 . 19 1 1 A 6 6 ARG HA H 6 4.300 4.865 -0.565 1
1 57 . 19 1 1 A 6 6 ARG C C 6 176.300 175.585 0.715 1
1 58 . 19 1 1 A 6 6 ARG CA C 6 56.300 54.291 2.009 1
1 59 . 19 1 1 A 6 6 ARG CB C 6 30.700 32.660 -1.960 1
1 62 . 19 1 1 A 6 6 ARG N N 6 123.600 128.001 -4.401 1
1 63 . 19 1 1 A 7 7 PHE H H 7 8.460 8.829 -0.369 1
1 64 . 19 1 1 A 7 7 PHE HA H 7 4.760 4.553 0.207 1
1 72 . 19 1 1 A 7 7 PHE C C 7 175.000 175.663 -0.663 1
1 73 . 19 1 1 A 7 7 PHE CA C 7 56.700 59.210 -2.510 1
1 74 . 19 1 1 A 7 7 PHE CB C 7 40.300 39.480 0.820 1
1 80 . 19 1 1 A 7 7 PHE N N 7 121.500 125.564 -4.064 1
1 81 . 19 1 1 A 8 8 SER H H 8 8.520 8.732 -0.212 1
1 82 . 19 1 1 A 8 8 SER HA H 8 4.600 4.486 0.114 1
1 85 . 19 1 1 A 8 8 SER CA C 8 56.700 57.512 -0.812 1
1 86 . 19 1 1 A 8 8 SER CB C 8 62.600 63.080 -0.480 1
1 87 . 19 1 1 A 8 8 SER N N 8 121.500 120.816 0.684 1
1 88 . 19 1 1 A 9 9 PRO HA H 9 3.920 4.227 -0.307 1
1 95 . 19 1 1 A 9 9 PRO C C 9 178.500 177.989 0.511 1
1 96 . 19 1 1 A 9 9 PRO CA C 9 65.800 65.690 0.110 1
1 97 . 19 1 1 A 9 9 PRO CB C 9 31.500 32.101 -0.601 1
1 100 . 19 1 1 A 10 10 GLU H H 10 8.610 8.197 0.413 1
1 101 . 19 1 1 A 10 10 GLU HA H 10 3.990 4.031 -0.041 1
1 106 . 19 1 1 A 10 10 GLU C C 10 179.100 178.960 0.140 1
1 107 . 19 1 1 A 10 10 GLU CA C 10 60.000 59.821 0.179 1
1 108 . 19 1 1 A 10 10 GLU CB C 10 28.800 29.474 -0.674 1
1 110 . 19 1 1 A 10 10 GLU N N 10 116.600 117.995 -1.395 1
1 111 . 19 1 1 A 11 11 VAL H H 11 7.510 7.565 -0.055 1
1 112 . 19 1 1 A 11 11 VAL HA H 11 3.610 3.338 0.272 1
1 120 . 19 1 1 A 11 11 VAL C C 11 177.700 177.960 -0.260 1
1 121 . 19 1 1 A 11 11 VAL CA C 11 66.400 66.333 0.067 1
1 122 . 19 1 1 A 11 11 VAL CB C 11 31.600 31.443 0.157 1
1 125 . 19 1 1 A 11 11 VAL N N 11 122.700 118.809 3.891 1
1 126 . 19 1 1 A 12 12 ARG H H 12 7.800 7.721 0.079 1
1 127 . 19 1 1 A 12 12 ARG HA H 12 3.440 3.131 0.309 1
1 135 . 19 1 1 A 12 12 ARG C C 12 178.000 178.079 -0.079 1
1 136 . 19 1 1 A 12 12 ARG CA C 12 59.300 59.398 -0.098 1
1 137 . 19 1 1 A 12 12 ARG CB C 12 29.600 29.333 0.267 1
1 140 . 19 1 1 A 12 12 ARG N N 12 118.700 119.613 -0.913 1
1 142 . 19 1 1 A 13 13 GLN H H 13 8.050 8.229 -0.179 1
1 143 . 19 1 1 A 13 13 GLN HA H 13 3.860 3.890 -0.030 1
1 150 . 19 1 1 A 13 13 GLN C C 13 178.800 178.419 0.381 1
1 151 . 19 1 1 A 13 13 GLN CA C 13 58.600 59.111 -0.511 1
1 152 . 19 1 1 A 13 13 GLN CB C 13 28.300 28.218 0.082 1
1 154 . 19 1 1 A 13 13 GLN N N 13 116.100 118.410 -2.310 1
1 156 . 19 1 1 A 14 14 ARG H H 14 7.750 8.230 -0.480 1
1 157 . 19 1 1 A 14 14 ARG HA H 14 3.970 3.946 0.024 1
1 164 . 19 1 1 A 14 14 ARG C C 14 177.900 178.122 -0.222 1
1 165 . 19 1 1 A 14 14 ARG CA C 14 59.100 58.955 0.145 1
1 166 . 19 1 1 A 14 14 ARG CB C 14 30.000 29.825 0.175 1
1 169 . 19 1 1 A 14 14 ARG N N 14 120.400 119.564 0.836 1
1 170 . 19 1 1 A 15 15 ALA H H 15 8.500 7.861 0.639 1
1 171 . 19 1 1 A 15 15 ALA HA H 15 4.040 3.966 0.074 1
1 175 . 19 1 1 A 15 15 ALA C C 15 178.800 179.984 -1.184 1
1 176 . 19 1 1 A 15 15 ALA CA C 15 55.300 55.058 0.242 1
1 177 . 19 1 1 A 15 15 ALA CB C 15 19.700 18.418 1.282 1
1 178 . 19 1 1 A 15 15 ALA N N 15 122.200 122.129 0.071 1
1 179 . 19 1 1 A 16 16 VAL H H 16 8.230 7.847 0.383 1
1 180 . 19 1 1 A 16 16 VAL HA H 16 3.360 3.354 0.006 1
1 188 . 19 1 1 A 16 16 VAL C C 16 177.700 177.735 -0.035 1
1 189 . 19 1 1 A 16 16 VAL CA C 16 67.100 66.874 0.226 1
1 190 . 19 1 1 A 16 16 VAL CB C 16 31.600 31.325 0.275 1
1 193 . 19 1 1 A 16 16 VAL N N 16 116.500 117.873 -1.373 1
1 194 . 19 1 1 A 17 17 ARG H H 17 7.900 8.163 -0.263 1
1 195 . 19 1 1 A 17 17 ARG HA H 17 3.830 3.878 -0.048 1
1 202 . 19 1 1 A 17 17 ARG C C 17 178.000 178.810 -0.810 1
1 203 . 19 1 1 A 17 17 ARG CA C 17 59.700 59.788 -0.088 1
1 204 . 19 1 1 A 17 17 ARG CB C 17 29.200 30.067 -0.867 1
1 207 . 19 1 1 A 17 17 ARG N N 17 119.000 119.961 -0.961 1
1 208 . 19 1 1 A 18 18 MET H H 18 8.210 8.667 -0.457 1
1 209 . 19 1 1 A 18 18 MET HA H 18 4.090 4.170 -0.080 1
1 217 . 19 1 1 A 18 18 MET C C 18 179.400 178.841 0.559 1
1 218 . 19 1 1 A 18 18 MET CA C 18 59.500 58.685 0.815 1
1 219 . 19 1 1 A 18 18 MET CB C 18 33.600 31.758 1.842 1
1 222 . 19 1 1 A 18 18 MET N N 18 117.300 118.318 -1.018 1
1 223 . 19 1 1 A 19 19 VAL H H 19 7.790 7.803 -0.013 1
1 224 . 19 1 1 A 19 19 VAL HA H 19 3.390 3.653 -0.263 1
1 232 . 19 1 1 A 19 19 VAL C C 19 177.200 178.346 -1.146 1
1 233 . 19 1 1 A 19 19 VAL CA C 19 66.100 66.364 -0.264 1
1 234 . 19 1 1 A 19 19 VAL CB C 19 31.600 31.526 0.074 1
1 237 . 19 1 1 A 19 19 VAL N N 19 119.900 120.083 -0.183 1
1 238 . 19 1 1 A 20 20 LEU H H 20 8.280 7.975 0.305 1
1 239 . 19 1 1 A 20 20 LEU HA H 20 4.070 3.921 0.149 1
1 249 . 19 1 1 A 20 20 LEU C C 20 180.600 179.324 1.276 1
1 250 . 19 1 1 A 20 20 LEU CA C 20 57.900 58.213 -0.313 1
1 251 . 19 1 1 A 20 20 LEU CB C 20 40.800 41.056 -0.256 1
1 255 . 19 1 1 A 20 20 LEU N N 20 118.400 119.845 -1.445 1
1 256 . 19 1 1 A 21 21 GLU H H 21 8.690 8.174 0.516 1
1 257 . 19 1 1 A 21 21 GLU HA H 21 4.230 4.041 0.189 1
1 262 . 19 1 1 A 21 21 GLU C C 21 178.200 178.443 -0.243 1
1 263 . 19 1 1 A 21 21 GLU CA C 21 57.900 59.444 -1.544 1
1 264 . 19 1 1 A 21 21 GLU CB C 21 29.700 29.239 0.461 1
1 266 . 19 1 1 A 21 21 GLU N N 21 115.900 118.187 -2.287 1
1 267 . 19 1 1 A 22 22 SER H H 22 7.580 8.080 -0.500 1
1 268 . 19 1 1 A 22 22 SER HA H 22 4.790 4.360 0.430 1
1 271 . 19 1 1 A 22 22 SER C C 22 175.200 177.205 -2.005 1
1 272 . 19 1 1 A 22 22 SER CA C 22 59.500 61.254 -1.754 1
1 273 . 19 1 1 A 22 22 SER CB C 22 64.500 62.808 1.692 1
1 274 . 19 1 1 A 22 22 SER N N 22 113.000 115.360 -2.360 1
1 275 . 19 1 1 A 23 23 GLN H H 23 7.780 8.132 -0.352 1
1 276 . 19 1 1 A 23 23 GLN HA H 23 4.800 4.147 0.653 1
1 283 . 19 1 1 A 23 23 GLN C C 23 177.100 178.041 -0.941 1
1 284 . 19 1 1 A 23 23 GLN CA C 23 57.800 59.421 -1.621 1
1 285 . 19 1 1 A 23 23 GLN CB C 23 28.100 28.852 -0.752 1
1 287 . 19 1 1 A 23 23 GLN N N 23 119.900 122.057 -2.157 1
1 289 . 19 1 1 A 24 24 GLY H H 24 8.680 8.061 0.619 1
1 290 . 19 1 1 A 24 24 GLY HA2 H 24 3.860 3.970 -0.110 1
1 291 . 19 1 1 A 24 24 GLY HA3 H 24 4.110 3.973 0.137 1
1 292 . 19 1 1 A 24 24 GLY C C 24 175.100 174.496 0.604 1
1 293 . 19 1 1 A 24 24 GLY CA C 24 45.900 46.578 -0.678 1
1 294 . 19 1 1 A 24 24 GLY N N 24 108.500 107.054 1.446 1
1 295 . 19 1 1 A 25 25 GLU H H 25 8.110 7.807 0.303 1
1 296 . 19 1 1 A 25 25 GLU HA H 25 4.210 4.396 -0.186 1
1 301 . 19 1 1 A 25 25 GLU C C 25 175.400 175.812 -0.412 1
1 302 . 19 1 1 A 25 25 GLU CA C 25 56.100 56.967 -0.867 1
1 303 . 19 1 1 A 25 25 GLU CB C 25 29.700 32.458 -2.758 1
1 305 . 19 1 1 A 25 25 GLU N N 25 118.200 117.649 0.551 1
1 306 . 19 1 1 A 26 26 TYR H H 26 7.690 7.808 -0.118 1
1 307 . 19 1 1 A 26 26 TYR HA H 26 4.690 4.537 0.153 1
1 314 . 19 1 1 A 26 26 TYR C C 26 175.800 176.545 -0.745 1
1 315 . 19 1 1 A 26 26 TYR CA C 26 57.000 58.960 -1.960 1
1 316 . 19 1 1 A 26 26 TYR CB C 26 42.200 38.656 3.544 1
1 321 . 19 1 1 A 26 26 TYR N N 26 117.700 118.792 -1.092 1
1 322 . 19 1 1 A 27 27 ASP H H 27 8.850 8.967 -0.117 1
1 323 . 19 1 1 A 27 27 ASP HA H 27 4.520 4.543 -0.023 1
1 326 . 19 1 1 A 27 27 ASP C C 27 175.900 176.623 -0.723 1
1 327 . 19 1 1 A 27 27 ASP CA C 27 55.400 56.748 -1.348 1
1 328 . 19 1 1 A 27 27 ASP CB C 27 41.200 41.147 0.053 1
1 329 . 19 1 1 A 27 27 ASP N N 27 117.500 124.102 -6.602 1
1 330 . 19 1 1 A 28 28 SER H H 28 7.550 8.000 -0.450 1
1 331 . 19 1 1 A 28 28 SER HA H 28 4.740 4.673 0.067 1
1 334 . 19 1 1 A 28 28 SER CA C 28 57.200 57.361 -0.161 1
1 335 . 19 1 1 A 28 28 SER CB C 28 65.800 64.348 1.452 1
1 336 . 19 1 1 A 28 28 SER N N 28 109.000 114.669 -5.669 1
1 337 . 19 1 1 A 29 29 GLN HA H 29 3.950 4.061 -0.111 1
1 344 . 19 1 1 A 29 29 GLN C C 29 178.100 177.534 0.566 1
1 345 . 19 1 1 A 29 29 GLN CA C 29 60.200 58.218 1.982 1
1 346 . 19 1 1 A 29 29 GLN CB C 29 29.900 28.487 1.413 1
1 349 . 19 1 1 A 30 30 TRP H H 30 9.010 8.138 0.872 1
1 350 . 19 1 1 A 30 30 TRP HA H 30 4.720 4.323 0.397 1
1 359 . 19 1 1 A 30 30 TRP C C 30 177.100 178.807 -1.707 1
1 360 . 19 1 1 A 30 30 TRP CA C 30 59.300 59.633 -0.333 1
1 361 . 19 1 1 A 30 30 TRP CB C 30 30.000 29.039 0.961 1
1 367 . 19 1 1 A 30 30 TRP N N 30 121.400 120.299 1.101 1
1 369 . 19 1 1 A 31 31 ALA H H 31 8.360 8.244 0.116 1
1 370 . 19 1 1 A 31 31 ALA HA H 31 3.790 4.114 -0.324 1
1 374 . 19 1 1 A 31 31 ALA C C 31 180.300 179.839 0.461 1
1 375 . 19 1 1 A 31 31 ALA CA C 31 55.300 55.049 0.251 1
1 376 . 19 1 1 A 31 31 ALA CB C 31 18.200 18.473 -0.273 1
1 377 . 19 1 1 A 31 31 ALA N N 31 121.600 122.762 -1.162 1
1 378 . 19 1 1 A 32 32 THR H H 32 7.420 7.911 -0.491 1
1 379 . 19 1 1 A 32 32 THR HA H 32 2.620 3.802 -1.182 1
1 384 . 19 1 1 A 32 32 THR C C 32 176.700 177.099 -0.399 1
1 385 . 19 1 1 A 32 32 THR CA C 32 66.200 65.245 0.955 1
1 386 . 19 1 1 A 32 32 THR CB C 32 67.800 68.526 -0.726 1
1 388 . 19 1 1 A 32 32 THR N N 32 115.700 110.971 4.729 1
1 389 . 19 1 1 A 33 33 ILE H H 33 8.490 7.842 0.648 1
1 390 . 19 1 1 A 33 33 ILE HA H 33 3.180 3.536 -0.356 1
1 400 . 19 1 1 A 33 33 ILE C C 33 177.300 177.442 -0.142 1
1 401 . 19 1 1 A 33 33 ILE CA C 33 65.900 65.391 0.509 1
1 402 . 19 1 1 A 33 33 ILE CB C 33 37.700 37.677 0.023 1
1 406 . 19 1 1 A 33 33 ILE N N 33 124.100 122.498 1.602 1
1 407 . 19 1 1 A 34 34 CYS H H 34 8.060 7.849 0.211 1
1 408 . 19 1 1 A 34 34 CYS HA H 34 3.610 4.317 -0.707 1
1 411 . 19 1 1 A 34 34 CYS C C 34 175.800 176.321 -0.521 1
1 412 . 19 1 1 A 34 34 CYS CA C 34 63.800 60.440 3.360 1
1 413 . 19 1 1 A 34 34 CYS CB C 34 26.400 26.984 -0.584 1
1 414 . 19 1 1 A 34 34 CYS N N 34 115.900 118.226 -2.326 1
1 415 . 19 1 1 A 35 35 SER H H 35 7.150 7.685 -0.535 1
1 416 . 19 1 1 A 35 35 SER HA H 35 4.260 4.389 -0.129 1
1 419 . 19 1 1 A 35 35 SER C C 35 175.500 176.224 -0.724 1
1 420 . 19 1 1 A 35 35 SER CA C 35 60.200 61.194 -0.994 1
1 421 . 19 1 1 A 35 35 SER CB C 35 63.600 63.188 0.412 1
1 422 . 19 1 1 A 35 35 SER N N 35 113.600 116.065 -2.465 1
1 423 . 19 1 1 A 36 36 ILE H H 36 7.650 8.174 -0.524 1
1 424 . 19 1 1 A 36 36 ILE HA H 36 3.850 3.897 -0.047 1
1 434 . 19 1 1 A 36 36 ILE C C 36 176.900 177.479 -0.579 1
1 435 . 19 1 1 A 36 36 ILE CA C 36 61.700 63.413 -1.713 1
1 436 . 19 1 1 A 36 36 ILE CB C 36 37.700 38.065 -0.365 1
1 440 . 19 1 1 A 36 36 ILE N N 36 120.700 121.573 -0.873 1
1 441 . 19 1 1 A 37 37 ALA H H 37 8.200 7.996 0.204 1
1 442 . 19 1 1 A 37 37 ALA HA H 37 3.860 4.012 -0.152 1
1 446 . 19 1 1 A 37 37 ALA CA C 37 57.400 57.326 0.074 1
1 447 . 19 1 1 A 37 37 ALA CB C 37 14.900 16.556 -1.656 1
1 448 . 19 1 1 A 37 37 ALA N N 37 122.200 124.900 -2.700 1
1 449 . 19 1 1 A 38 38 PRO HA H 38 4.470 4.364 0.106 1
1 456 . 19 1 1 A 38 38 PRO C C 38 178.800 178.614 0.186 1
1 457 . 19 1 1 A 38 38 PRO CA C 38 65.600 64.960 0.640 1
1 458 . 19 1 1 A 38 38 PRO CB C 38 31.000 31.374 -0.374 1
1 461 . 19 1 1 A 39 39 LYS H H 39 7.680 8.253 -0.573 1
1 462 . 19 1 1 A 39 39 LYS HA H 39 4.150 4.074 0.076 1
1 471 . 19 1 1 A 39 39 LYS C C 39 177.800 178.857 -1.057 1
1 472 . 19 1 1 A 39 39 LYS CA C 39 58.000 58.960 -0.960 1
1 473 . 19 1 1 A 39 39 LYS CB C 39 31.800 32.236 -0.436 1
1 477 . 19 1 1 A 39 39 LYS N N 39 115.500 117.075 -1.575 1
1 478 . 19 1 1 A 40 40 ILE H H 40 7.540 7.420 0.120 1
1 479 . 19 1 1 A 40 40 ILE HA H 40 4.130 4.138 -0.008 1
1 489 . 19 1 1 A 40 40 ILE C C 40 176.500 176.556 -0.056 1
1 490 . 19 1 1 A 40 40 ILE CA C 40 59.600 62.677 -3.077 1
1 491 . 19 1 1 A 40 40 ILE CB C 40 37.300 38.641 -1.341 1
1 495 . 19 1 1 A 40 40 ILE N N 40 117.500 117.019 0.481 1
1 496 . 19 1 1 A 41 41 GLY H H 41 8.430 8.888 -0.458 1
1 497 . 19 1 1 A 41 41 GLY HA2 H 41 4.550 4.003 0.547 1
1 498 . 19 1 1 A 41 41 GLY HA3 H 41 3.790 4.016 -0.226 1
1 499 . 19 1 1 A 41 41 GLY C C 41 173.900 174.106 -0.206 1
1 500 . 19 1 1 A 41 41 GLY CA C 41 44.900 46.105 -1.205 1
1 501 . 19 1 1 A 41 41 GLY N N 41 105.100 108.794 -3.694 1
1 502 . 19 1 1 A 42 42 CYS H H 42 7.360 7.970 -0.610 1
1 503 . 19 1 1 A 42 42 CYS HA H 42 5.220 5.040 0.180 1
1 506 . 19 1 1 A 42 42 CYS C C 42 173.100 173.628 -0.528 1
1 507 . 19 1 1 A 42 42 CYS CA C 42 53.300 56.439 -3.139 1
1 508 . 19 1 1 A 42 42 CYS CB C 42 31.700 31.732 -0.032 1
1 509 . 19 1 1 A 42 42 CYS N N 42 115.400 116.543 -1.143 1
1 510 . 19 1 1 A 43 43 THR H H 43 8.550 8.493 0.057 1
1 511 . 19 1 1 A 43 43 THR HA H 43 4.560 4.596 -0.036 1
1 516 . 19 1 1 A 43 43 THR CA C 43 59.800 60.568 -0.768 1
1 517 . 19 1 1 A 43 43 THR CB C 43 68.500 68.576 -0.076 1
1 519 . 19 1 1 A 43 43 THR N N 43 111.500 114.732 -3.232 1
1 520 . 19 1 1 A 44 44 PRO HA H 44 3.680 4.229 -0.549 1
1 527 . 19 1 1 A 44 44 PRO C C 44 177.300 177.997 -0.697 1
1 528 . 19 1 1 A 44 44 PRO CA C 44 65.200 65.751 -0.551 1
1 529 . 19 1 1 A 44 44 PRO CB C 44 32.400 31.837 0.563 1
1 532 . 19 1 1 A 45 45 GLU H H 45 8.900 8.345 0.555 1
1 533 . 19 1 1 A 45 45 GLU HA H 45 3.990 4.042 -0.052 1
1 538 . 19 1 1 A 45 45 GLU C C 45 179.000 179.041 -0.041 1
1 539 . 19 1 1 A 45 45 GLU CA C 45 61.300 59.626 1.674 1
1 540 . 19 1 1 A 45 45 GLU CB C 45 28.200 29.650 -1.450 1
1 542 . 19 1 1 A 45 45 GLU N N 45 117.100 118.265 -1.165 1
1 543 . 19 1 1 A 46 46 THR H H 46 7.680 8.035 -0.355 1
1 544 . 19 1 1 A 46 46 THR HA H 46 3.560 3.531 0.029 1
1 549 . 19 1 1 A 46 46 THR C C 46 173.800 175.933 -2.133 1
1 550 . 19 1 1 A 46 46 THR CA C 46 66.300 66.704 -0.404 1
1 551 . 19 1 1 A 46 46 THR CB C 46 68.000 67.439 0.561 1
1 553 . 19 1 1 A 46 46 THR N N 46 118.800 117.137 1.663 1
1 554 . 19 1 1 A 47 47 LEU H H 47 7.040 8.067 -1.027 1
1 555 . 19 1 1 A 47 47 LEU HA H 47 3.170 4.202 -1.032 1
1 565 . 19 1 1 A 47 47 LEU C C 47 177.500 178.358 -0.858 1
1 566 . 19 1 1 A 47 47 LEU CA C 47 56.800 57.808 -1.008 1
1 567 . 19 1 1 A 47 47 LEU CB C 47 40.500 41.853 -1.353 1
1 571 . 19 1 1 A 47 47 LEU N N 47 120.600 121.252 -0.652 1
1 572 . 19 1 1 A 48 48 ARG H H 48 8.430 7.890 0.540 1
1 573 . 19 1 1 A 48 48 ARG HA H 48 3.880 3.974 -0.094 1
1 580 . 19 1 1 A 48 48 ARG C C 48 177.400 178.682 -1.282 1
1 581 . 19 1 1 A 48 48 ARG CA C 48 60.200 58.779 1.421 1
1 582 . 19 1 1 A 48 48 ARG CB C 48 30.500 29.664 0.836 1
1 585 . 19 1 1 A 48 48 ARG N N 48 118.200 119.211 -1.011 1
1 586 . 19 1 1 A 49 49 VAL H H 49 7.400 7.873 -0.473 1
1 587 . 19 1 1 A 49 49 VAL HA H 49 3.630 3.563 0.067 1
1 595 . 19 1 1 A 49 49 VAL C C 49 178.900 178.098 0.802 1
1 596 . 19 1 1 A 49 49 VAL CA C 49 67.200 66.349 0.851 1
1 597 . 19 1 1 A 49 49 VAL CB C 49 30.700 31.421 -0.721 1
1 600 . 19 1 1 A 49 49 VAL N N 49 120.300 118.233 2.067 1
1 601 . 19 1 1 A 50 50 TRP H H 50 7.850 7.653 0.197 1
1 602 . 19 1 1 A 50 50 TRP HA H 50 4.740 4.344 0.396 1
1 611 . 19 1 1 A 50 50 TRP C C 50 180.400 178.980 1.420 1
1 612 . 19 1 1 A 50 50 TRP CA C 50 57.800 60.099 -2.299 1
1 613 . 19 1 1 A 50 50 TRP CB C 50 28.700 29.421 -0.721 1
1 619 . 19 1 1 A 50 50 TRP N N 50 120.300 119.838 0.462 1
1 621 . 19 1 1 A 51 51 VAL H H 51 8.820 8.157 0.663 1
1 622 . 19 1 1 A 51 51 VAL HA H 51 3.690 3.679 0.011 1
1 630 . 19 1 1 A 51 51 VAL C C 51 177.700 178.233 -0.533 1
1 631 . 19 1 1 A 51 51 VAL CA C 51 66.800 66.794 0.006 1
1 632 . 19 1 1 A 51 51 VAL CB C 51 32.000 31.338 0.662 1
1 635 . 19 1 1 A 51 51 VAL N N 51 121.300 119.929 1.371 1
1 636 . 19 1 1 A 52 52 ARG H H 52 8.740 8.376 0.364 1
1 637 . 19 1 1 A 52 52 ARG HA H 52 4.260 3.949 0.311 1
1 644 . 19 1 1 A 52 52 ARG C C 52 179.500 178.764 0.736 1
1 645 . 19 1 1 A 52 52 ARG CA C 52 58.900 59.331 -0.431 1
1 646 . 19 1 1 A 52 52 ARG CB C 52 29.900 29.678 0.222 1
1 649 . 19 1 1 A 52 52 ARG N N 52 120.200 120.109 0.091 1
1 650 . 19 1 1 A 53 53 GLN H H 53 8.540 8.346 0.194 1
1 651 . 19 1 1 A 53 53 GLN HA H 53 4.050 4.093 -0.043 1
1 658 . 19 1 1 A 53 53 GLN C C 53 177.600 178.668 -1.068 1
1 659 . 19 1 1 A 53 53 GLN CA C 53 58.700 58.896 -0.196 1
1 660 . 19 1 1 A 53 53 GLN CB C 53 28.100 28.392 -0.292 1
1 662 . 19 1 1 A 53 53 GLN N N 53 119.100 118.399 0.701 1
1 664 . 19 1 1 A 54 54 HIS H H 54 8.010 8.149 -0.139 1
1 665 . 19 1 1 A 54 54 HIS HA H 54 4.410 4.251 0.159 1
1 668 . 19 1 1 A 54 54 HIS C C 54 177.800 176.968 0.832 1
1 669 . 19 1 1 A 54 54 HIS CA C 54 59.700 60.149 -0.449 1
1 670 . 19 1 1 A 54 54 HIS CB C 54 30.600 29.680 0.920 1
1 671 . 19 1 1 A 54 54 HIS N N 54 119.300 120.610 -1.310 1
1 672 . 19 1 1 A 55 55 GLU H H 55 8.460 8.555 -0.095 1
1 673 . 19 1 1 A 55 55 GLU HA H 55 3.940 3.862 0.078 1
1 678 . 19 1 1 A 55 55 GLU C C 55 178.400 179.390 -0.990 1
1 679 . 19 1 1 A 55 55 GLU CA C 55 58.800 60.135 -1.335 1
1 680 . 19 1 1 A 55 55 GLU CB C 55 29.800 29.226 0.574 1
1 682 . 19 1 1 A 55 55 GLU N N 55 119.700 119.064 0.636 1
1 683 . 19 1 1 A 56 56 ARG H H 56 7.990 7.870 0.120 1
1 684 . 19 1 1 A 56 56 ARG HA H 56 4.160 4.139 0.021 1
1 691 . 19 1 1 A 56 56 ARG C C 56 177.800 178.372 -0.572 1
1 692 . 19 1 1 A 56 56 ARG CA C 56 58.100 58.858 -0.758 1
1 693 . 19 1 1 A 56 56 ARG CB C 56 30.100 29.815 0.285 1
1 696 . 19 1 1 A 56 56 ARG N N 56 119.200 119.541 -0.341 1
1 697 . 19 1 1 A 57 57 ASP H H 57 8.300 8.250 0.050 1
1 698 . 19 1 1 A 57 57 ASP HA H 57 4.550 4.353 0.197 1
1 701 . 19 1 1 A 57 57 ASP C C 57 177.400 177.888 -0.488 1
1 702 . 19 1 1 A 57 57 ASP CA C 57 55.800 57.347 -1.547 1
1 703 . 19 1 1 A 57 57 ASP CB C 57 40.800 41.054 -0.254 1
1 704 . 19 1 1 A 57 57 ASP N N 57 120.000 119.602 0.398 1
1 705 . 19 1 1 A 58 58 THR H H 58 7.890 7.446 0.444 1
1 706 . 19 1 1 A 58 58 THR HA H 58 4.310 4.310 0.000 1
1 711 . 19 1 1 A 58 58 THR C C 58 175.500 176.338 -0.838 1
1 712 . 19 1 1 A 58 58 THR CA C 58 62.200 63.217 -1.017 1
1 713 . 19 1 1 A 58 58 THR CB C 58 69.800 69.946 -0.146 1
1 715 . 19 1 1 A 58 58 THR N N 58 111.300 111.729 -0.429 1
1 716 . 19 1 1 A 59 59 GLY H H 59 8.070 7.849 0.221 1
1 717 . 19 1 1 A 59 59 GLY HA2 H 59 4.010 3.903 0.107 1
1 718 . 19 1 1 A 59 59 GLY HA3 H 59 4.010 3.903 0.107 1
1 719 . 19 1 1 A 59 59 GLY C C 59 174.700 173.931 0.769 1
1 720 . 19 1 1 A 59 59 GLY CA C 59 45.600 45.421 0.179 1
1 721 . 19 1 1 A 59 59 GLY N N 59 110.600 108.451 2.149 1
1 722 . 19 1 1 A 60 60 GLY H H 60 8.260 7.104 1.156 1
1 723 . 19 1 1 A 60 60 GLY HA2 H 60 3.990 4.031 -0.041 1
1 724 . 19 1 1 A 60 60 GLY HA3 H 60 3.990 4.034 -0.044 1
1 725 . 19 1 1 A 60 60 GLY C C 60 173.900 172.574 1.326 1
1 726 . 19 1 1 A 60 60 GLY CA C 60 45.100 44.880 0.220 1
1 727 . 19 1 1 A 60 60 GLY N N 60 108.700 107.698 1.002 1
1 728 . 19 1 1 A 61 61 ASP H H 61 8.320 8.532 -0.212 1
1 729 . 19 1 1 A 61 61 ASP HA H 61 4.650 4.805 -0.155 1
1 732 . 19 1 1 A 61 61 ASP C C 61 176.200 175.268 0.932 1
1 733 . 19 1 1 A 61 61 ASP CA C 61 54.200 54.382 -0.182 1
1 734 . 19 1 1 A 61 61 ASP CB C 61 41.300 41.895 -0.595 1
1 735 . 19 1 1 A 61 61 ASP N N 61 120.500 121.559 -1.059 1
1 736 . 19 1 1 A 62 62 ASP H H 62 8.400 8.909 -0.509 1
1 737 . 19 1 1 A 62 62 ASP HA H 62 4.600 4.904 -0.304 1
1 740 . 19 1 1 A 62 62 ASP C C 62 177.100 175.463 1.637 1
1 741 . 19 1 1 A 62 62 ASP CA C 62 54.200 52.187 2.013 1
1 742 . 19 1 1 A 62 62 ASP CB C 62 41.100 43.918 -2.818 1
1 743 . 19 1 1 A 62 62 ASP N N 62 121.100 121.468 -0.368 1
1 744 . 19 1 1 A 63 63 GLY H H 63 8.500 8.323 0.177 1
1 745 . 19 1 1 A 63 63 GLY HA2 H 63 3.950 3.894 0.056 1
1 746 . 19 1 1 A 63 63 GLY HA3 H 63 3.950 3.895 0.055 1
1 747 . 19 1 1 A 63 63 GLY C C 63 175.000 174.956 0.044 1
1 748 . 19 1 1 A 63 63 GLY CA C 63 45.700 46.398 -0.698 1
1 749 . 19 1 1 A 63 63 GLY N N 63 109.400 110.229 -0.829 1
1 750 . 19 1 1 A 64 64 GLY H H 64 8.360 7.697 0.663 1
1 751 . 19 1 1 A 64 64 GLY HA2 H 64 3.950 4.213 -0.263 1
1 752 . 19 1 1 A 64 64 GLY HA3 H 64 3.950 4.214 -0.264 1
1 753 . 19 1 1 A 64 64 GLY C C 64 174.300 174.455 -0.155 1
1 754 . 19 1 1 A 64 64 GLY CA C 64 45.300 46.117 -0.817 1
1 755 . 19 1 1 A 64 64 GLY N N 64 108.700 107.008 1.692 1
1 756 . 19 1 1 A 65 65 LEU H H 65 8.020 8.496 -0.476 1
1 757 . 19 1 1 A 65 65 LEU HA H 65 4.460 4.010 0.450 1
1 767 . 19 1 1 A 65 65 LEU C C 65 178.000 175.921 2.079 1
1 768 . 19 1 1 A 65 65 LEU CA C 65 55.200 56.254 -1.054 1
1 769 . 19 1 1 A 65 65 LEU CB C 65 42.700 41.826 0.874 1
1 773 . 19 1 1 A 65 65 LEU N N 65 121.300 124.317 -3.017 1
1 774 . 19 1 1 A 66 66 THR H H 66 8.470 7.823 0.647 1
1 775 . 19 1 1 A 66 66 THR HA H 66 4.440 4.497 -0.057 1
1 780 . 19 1 1 A 66 66 THR C C 66 175.200 174.220 0.980 1
1 781 . 19 1 1 A 66 66 THR CA C 66 61.600 60.799 0.801 1
1 782 . 19 1 1 A 66 66 THR CB C 66 70.200 69.933 0.267 1
1 784 . 19 1 1 A 66 66 THR N N 66 114.300 112.617 1.683 1
1 785 . 19 1 1 A 67 67 THR H H 67 8.370 8.842 -0.472 1
1 786 . 19 1 1 A 67 67 THR HA H 67 4.110 4.510 -0.400 1
1 791 . 19 1 1 A 67 67 THR C C 67 175.300 174.384 0.916 1
1 792 . 19 1 1 A 67 67 THR CA C 67 63.900 61.644 2.256 1
1 793 . 19 1 1 A 67 67 THR CB C 67 69.100 69.707 -0.607 1
1 795 . 19 1 1 A 67 67 THR N N 67 116.600 115.322 1.278 1
1 796 . 19 1 1 A 68 68 ALA H H 68 8.340 8.007 0.333 1
1 797 . 19 1 1 A 68 68 ALA HA H 68 4.220 4.514 -0.294 1
1 801 . 19 1 1 A 68 68 ALA C C 68 179.100 176.264 2.836 1
1 802 . 19 1 1 A 68 68 ALA CA C 68 53.800 51.496 2.304 1
1 803 . 19 1 1 A 68 68 ALA CB C 68 18.700 20.261 -1.561 1
1 804 . 19 1 1 A 68 68 ALA N N 68 124.500 122.746 1.754 1
1 805 . 19 1 1 A 69 69 GLU H H 69 8.090 7.562 0.528 1
1 806 . 19 1 1 A 69 69 GLU HA H 69 4.140 4.577 -0.437 1
1 811 . 19 1 1 A 69 69 GLU C C 69 177.800 175.617 2.183 1
1 812 . 19 1 1 A 69 69 GLU CA C 69 57.700 56.140 1.560 1
1 813 . 19 1 1 A 69 69 GLU CB C 69 30.100 30.338 -0.238 1
1 815 . 19 1 1 A 69 69 GLU N N 69 119.000 118.710 0.290 1
1 816 . 19 1 1 A 70 70 ARG H H 70 8.300 8.700 -0.400 1
1 817 . 19 1 1 A 70 70 ARG HA H 70 4.140 4.538 -0.398 1
1 824 . 19 1 1 A 70 70 ARG C C 70 177.400 175.918 1.482 1
1 825 . 19 1 1 A 70 70 ARG CA C 70 57.500 57.345 0.155 1
1 826 . 19 1 1 A 70 70 ARG CB C 70 30.300 33.378 -3.078 1
1 829 . 19 1 1 A 70 70 ARG N N 70 120.400 128.239 -7.839 1
1 830 . 19 1 1 A 71 71 GLN H H 71 8.200 7.788 0.412 1
1 831 . 19 1 1 A 71 71 GLN HA H 71 4.200 4.532 -0.332 1
1 838 . 19 1 1 A 71 71 GLN C C 71 176.600 175.578 1.022 1
1 839 . 19 1 1 A 71 71 GLN CA C 71 56.800 55.126 1.674 1
1 840 . 19 1 1 A 71 71 GLN CB C 71 28.900 27.120 1.780 1
1 842 . 19 1 1 A 71 71 GLN N N 71 119.500 118.882 0.618 1
1 844 . 19 1 1 A 72 72 ARG H H 72 7.990 8.421 -0.431 1
1 845 . 19 1 1 A 72 72 ARG HA H 72 4.240 4.594 -0.354 1
1 847 . 19 1 1 A 72 72 ARG C C 72 176.600 175.407 1.193 1
1 848 . 19 1 1 A 72 72 ARG CA C 72 56.900 55.252 1.648 1
1 849 . 19 1 1 A 72 72 ARG CB C 72 30.500 31.088 -0.588 1
1 852 . 19 1 1 A 72 72 ARG N N 72 120.600 126.308 -5.708 1
1 853 . 19 1 1 A 73 73 LEU H H 73 7.980 7.450 0.530 1
1 854 . 19 1 1 A 73 73 LEU HA H 73 4.280 4.466 -0.186 1
1 864 . 19 1 1 A 73 73 LEU C C 73 177.100 174.683 2.417 1
1 865 . 19 1 1 A 73 73 LEU CA C 73 55.300 54.650 0.650 1
1 866 . 19 1 1 A 73 73 LEU CB C 73 42.200 42.885 -0.685 1
1 870 . 19 1 1 A 73 73 LEU N N 73 121.400 122.045 -0.645 1
1 871 . 19 1 1 A 74 74 LYS H H 74 8.050 8.627 -0.577 1
1 872 . 19 1 1 A 74 74 LYS HA H 74 4.300 4.607 -0.307 1
1 881 . 19 1 1 A 74 74 LYS C C 74 176.100 176.146 -0.046 1
1 882 . 19 1 1 A 74 74 LYS CA C 74 56.000 54.956 1.044 1
1 883 . 19 1 1 A 74 74 LYS CB C 74 33.000 34.128 -1.128 1
1 887 . 19 1 1 A 74 74 LYS N N 74 121.000 126.937 -5.937 1
1 888 . 19 1 1 A 75 75 GLU H H 75 8.360 8.882 -0.522 1
1 889 . 19 1 1 A 75 75 GLU HA H 75 4.550 3.898 0.652 1
1 894 . 19 1 1 A 75 75 GLU CA C 75 54.400 56.952 -2.552 1
1 895 . 19 1 1 A 75 75 GLU CB C 75 29.600 28.300 1.300 1
1 897 . 19 1 1 A 75 75 GLU N N 75 123.800 118.505 5.295 1
1 898 . 19 1 1 A 76 76 PRO HA H 76 4.410 4.851 -0.441 1
1 905 . 19 1 1 A 76 76 PRO C C 76 177.000 176.013 0.987 1
1 906 . 19 1 1 A 76 76 PRO CA C 76 63.300 62.336 0.964 1
1 907 . 19 1 1 A 76 76 PRO CB C 76 32.000 31.813 0.187 1
1 910 . 19 1 1 A 77 77 GLU H H 77 8.580 8.641 -0.061 1
1 911 . 19 1 1 A 77 77 GLU HA H 77 4.220 4.579 -0.359 1
1 916 . 19 1 1 A 77 77 GLU C C 77 176.700 176.336 0.364 1
1 917 . 19 1 1 A 77 77 GLU CA C 77 56.800 55.573 1.227 1
1 918 . 19 1 1 A 77 77 GLU CB C 77 29.900 31.023 -1.123 1
1 920 . 19 1 1 A 77 77 GLU N N 77 120.800 121.812 -1.012 1
1 921 . 19 1 1 A 78 78 ARG H H 78 8.330 8.778 -0.448 1
1 922 . 19 1 1 A 78 78 ARG HA H 78 4.270 4.194 0.076 1
1 925 . 19 1 1 A 78 78 ARG C C 78 176.500 177.085 -0.585 1
1 926 . 19 1 1 A 78 78 ARG CA C 78 56.700 58.976 -2.276 1
1 927 . 19 1 1 A 78 78 ARG CB C 78 30.600 30.456 0.144 1
1 930 . 19 1 1 A 78 78 ARG N N 78 122.000 126.175 -4.175 1
1 931 . 19 1 1 A 79 79 GLU H H 79 8.020 7.772 0.248 1
1 932 . 19 1 1 A 79 79 GLU HA H 79 4.230 4.371 -0.141 1
1 937 . 19 1 1 A 79 79 GLU C C 79 176.100 176.009 0.091 1
1 938 . 19 1 1 A 79 79 GLU CA C 79 56.500 56.501 -0.001 1
1 939 . 19 1 1 A 79 79 GLU CB C 79 30.200 30.394 -0.194 1
1 941 . 19 1 1 A 79 79 GLU N N 79 121.900 118.383 3.517 1
1 942 . 19 1 1 A 80 80 ASN H H 80 8.510 8.934 -0.424 1
1 943 . 19 1 1 A 80 80 ASN HA H 80 4.690 4.767 -0.077 1
1 948 . 19 1 1 A 80 80 ASN C C 80 175.400 174.298 1.102 1
1 949 . 19 1 1 A 80 80 ASN CA C 80 53.300 52.580 0.720 1
1 950 . 19 1 1 A 80 80 ASN CB C 80 38.500 38.175 0.325 1
1 951 . 19 1 1 A 80 80 ASN N N 80 120.000 125.455 -5.455 1
1 953 . 19 1 1 A 81 81 ARG H H 81 8.400 8.367 0.033 1
1 954 . 19 1 1 A 81 81 ARG HA H 81 4.250 4.589 -0.339 1
1 961 . 19 1 1 A 81 81 ARG C C 81 175.600 174.732 0.868 1
1 962 . 19 1 1 A 81 81 ARG CA C 81 56.500 55.387 1.113 1
1 963 . 19 1 1 A 81 81 ARG CB C 81 30.800 30.808 -0.008 1
1 966 . 19 1 1 A 81 81 ARG N N 81 121.900 127.682 -5.782 1
1 967 . 19 1 1 A 82 82 GLU H H 82 8.410 8.660 -0.250 1
1 968 . 19 1 1 A 82 82 GLU HA H 82 4.240 4.510 -0.270 1
1 973 . 19 1 1 A 82 82 GLU C C 82 176.400 176.326 0.074 1
1 974 . 19 1 1 A 82 82 GLU CA C 82 56.700 55.110 1.590 1
1 975 . 19 1 1 A 82 82 GLU CB C 82 29.900 28.008 1.892 1
1 977 . 19 1 1 A 82 82 GLU N N 82 120.900 126.531 -5.631 1
1 978 . 19 1 1 A 83 83 LEU H H 83 8.120 8.289 -0.169 1
1 979 . 19 1 1 A 83 83 LEU HA H 83 4.310 3.973 0.337 1
1 988 . 19 1 1 A 83 83 LEU C C 83 177.100 177.095 0.005 1
1 989 . 19 1 1 A 83 83 LEU CA C 83 55.200 57.086 -1.886 1
1 990 . 19 1 1 A 83 83 LEU CB C 83 42.100 40.934 1.166 1
1 994 . 19 1 1 A 83 83 LEU N N 83 122.800 122.713 0.087 1
1 995 . 19 1 1 A 84 84 ARG H H 84 8.260 8.603 -0.343 1
1 996 . 19 1 1 A 84 84 ARG HA H 84 4.340 4.440 -0.100 1
1 999 . 19 1 1 A 84 84 ARG C C 84 176.000 175.521 0.479 1
1 1000 . 19 1 1 A 84 84 ARG CA C 84 55.900 57.475 -1.575 1
1 1001 . 19 1 1 A 84 84 ARG CB C 84 30.600 32.239 -1.639 1
1 1004 . 19 1 1 A 84 84 ARG N N 84 121.800 123.434 -1.634 1
1 1005 . 19 1 1 A 85 85 ARG H H 85 8.390 7.495 0.895 1
1 1006 . 19 1 1 A 85 85 ARG HA H 85 4.390 4.628 -0.238 1
1 1009 . 19 1 1 A 85 85 ARG C C 85 176.100 174.781 1.319 1
1 1010 . 19 1 1 A 85 85 ARG CA C 85 56.000 55.604 0.396 1
1 1011 . 19 1 1 A 85 85 ARG CB C 85 31.000 34.049 -3.049 1
1 1014 . 19 1 1 A 85 85 ARG N N 85 122.800 118.761 4.039 1
1 1015 . 19 1 1 A 86 86 SER H H 86 8.430 8.849 -0.419 1
1 1016 . 19 1 1 A 86 86 SER HA H 86 4.470 4.463 0.007 1
1 1019 . 19 1 1 A 86 86 SER C C 86 173.300 174.452 -1.152 1
1 1020 . 19 1 1 A 86 86 SER CA C 86 58.200 58.275 -0.075 1
1 1021 . 19 1 1 A 86 86 SER CB C 86 64.000 63.687 0.313 1
1 1022 . 19 1 1 A 86 86 SER N N 86 117.500 117.917 -0.417 1
1 1023 . 19 1 1 A 87 87 ASN H H 87 8.120 8.150 -0.030 1
1 1024 . 19 1 1 A 87 87 ASN HA H 87 4.470 4.346 0.124 1
1 1029 . 19 1 1 A 87 87 ASN CA C 87 54.800 55.475 -0.675 1
1 1030 . 19 1 1 A 87 87 ASN CB C 87 40.100 37.113 2.987 1
1 1031 . 19 1 1 A 87 87 ASN N N 87 125.900 116.452 9.448 1
1 1033 . 19 1 1 A 88 88 ASP HA H 88 4.640 4.993 -0.353 1
1 1036 . 19 1 1 A 88 88 ASP C C 88 175.700 174.380 1.320 1
1 1037 . 19 1 1 A 88 88 ASP CA C 88 54.500 52.252 2.248 1
1 1038 . 19 1 1 A 88 88 ASP CB C 88 41.100 43.601 -2.501 1
1 1039 . 19 1 1 A 89 89 ILE H H 89 8.000 8.645 -0.645 1
1 1040 . 19 1 1 A 89 89 ILE HA H 89 4.160 4.794 -0.634 1
1 1050 . 19 1 1 A 89 89 ILE C C 89 175.200 174.724 0.476 1
1 1051 . 19 1 1 A 89 89 ILE CA C 89 61.100 58.803 2.297 1
1 1052 . 19 1 1 A 89 89 ILE CB C 89 38.500 42.230 -3.730 1
1 1056 . 19 1 1 A 89 89 ILE N N 89 120.400 118.838 1.562 1
1 1057 . 19 1 1 A 90 90 LEU H H 90 7.880 8.278 -0.398 1
1 1058 . 19 1 1 A 90 90 LEU HA H 90 4.190 4.287 -0.097 1
1 1067 . 19 1 1 A 90 90 LEU CA C 90 56.700 54.877 1.823 1
1 1068 . 19 1 1 A 90 90 LEU CB C 90 43.300 42.192 1.108 1
1 1072 . 19 1 1 A 90 90 LEU N N 90 131.900 119.778 12.122 1
1 1073 . 19 1 1 A 93 93 ALA HA H 93 4.370 4.195 0.175 1
1 1077 . 19 1 1 A 93 93 ALA C C 93 176.600 176.341 0.259 1
1 1078 . 19 1 1 A 93 93 ALA CA C 93 52.300 54.487 -2.187 1
1 1079 . 19 1 1 A 93 93 ALA CB C 93 19.200 18.416 0.784 1
1 1080 . 19 1 1 A 94 94 SER H H 94 7.910 8.748 -0.838 1
1 1081 . 19 1 1 A 94 94 SER HA H 94 4.250 4.510 -0.260 1
1 1084 . 19 1 1 A 94 94 SER CA C 94 59.900 58.119 1.781 1
1 1085 . 19 1 1 A 94 94 SER CB C 94 64.700 61.941 2.759 1
1 1 . 20 1 1 A 2 2 THR HA H 2 4.360 4.620 -0.260 1
1 6 . 20 1 1 A 2 2 THR C C 2 174.300 175.082 -0.782 1
1 7 . 20 1 1 A 2 2 THR CA C 2 61.900 61.407 0.493 1
1 8 . 20 1 1 A 2 2 THR CB C 2 69.900 69.884 0.016 1
1 10 . 20 1 1 A 3 3 LYS H H 3 8.520 8.536 -0.016 1
1 11 . 20 1 1 A 3 3 LYS HA H 3 4.320 4.494 -0.174 1
1 20 . 20 1 1 A 3 3 LYS C C 3 176.100 176.687 -0.587 1
1 21 . 20 1 1 A 3 3 LYS CA C 3 56.400 56.082 0.318 1
1 22 . 20 1 1 A 3 3 LYS CB C 3 33.000 32.141 0.859 1
1 26 . 20 1 1 A 3 3 LYS N N 3 124.100 121.177 2.923 1
1 27 . 20 1 1 A 4 4 ASN H H 4 8.560 7.861 0.699 1
1 28 . 20 1 1 A 4 4 ASN HA H 4 4.760 4.940 -0.180 1
1 33 . 20 1 1 A 4 4 ASN C C 4 175.200 175.701 -0.501 1
1 34 . 20 1 1 A 4 4 ASN CA C 4 53.300 52.534 0.766 1
1 35 . 20 1 1 A 4 4 ASN CB C 4 38.900 36.275 2.625 1
1 36 . 20 1 1 A 4 4 ASN N N 4 120.200 118.575 1.625 1
1 38 . 20 1 1 A 5 5 THR H H 5 8.130 8.117 0.013 1
1 39 . 20 1 1 A 5 5 THR HA H 5 4.310 4.500 -0.190 1
1 44 . 20 1 1 A 5 5 THR C C 5 173.900 173.551 0.349 1
1 45 . 20 1 1 A 5 5 THR CA C 5 61.800 60.873 0.927 1
1 46 . 20 1 1 A 5 5 THR CB C 5 69.500 68.775 0.725 1
1 48 . 20 1 1 A 5 5 THR N N 5 114.900 112.289 2.611 1
1 49 . 20 1 1 A 6 6 ARG H H 6 8.160 7.599 0.561 1
1 50 . 20 1 1 A 6 6 ARG HA H 6 4.300 4.576 -0.276 1
1 57 . 20 1 1 A 6 6 ARG C C 6 176.300 175.205 1.095 1
1 58 . 20 1 1 A 6 6 ARG CA C 6 56.300 54.503 1.797 1
1 59 . 20 1 1 A 6 6 ARG CB C 6 30.700 32.106 -1.406 1
1 62 . 20 1 1 A 6 6 ARG N N 6 123.600 121.623 1.977 1
1 63 . 20 1 1 A 7 7 PHE H H 7 8.460 8.632 -0.172 1
1 64 . 20 1 1 A 7 7 PHE HA H 7 4.760 4.912 -0.152 1
1 72 . 20 1 1 A 7 7 PHE C C 7 175.000 175.774 -0.774 1
1 73 . 20 1 1 A 7 7 PHE CA C 7 56.700 56.859 -0.159 1
1 74 . 20 1 1 A 7 7 PHE CB C 7 40.300 41.901 -1.601 1
1 80 . 20 1 1 A 7 7 PHE N N 7 121.500 118.529 2.971 1
1 81 . 20 1 1 A 8 8 SER H H 8 8.520 8.712 -0.192 1
1 82 . 20 1 1 A 8 8 SER HA H 8 4.600 4.517 0.083 1
1 85 . 20 1 1 A 8 8 SER CA C 8 56.700 57.523 -0.823 1
1 86 . 20 1 1 A 8 8 SER CB C 8 62.600 62.790 -0.190 1
1 87 . 20 1 1 A 8 8 SER N N 8 121.500 118.476 3.024 1
1 88 . 20 1 1 A 9 9 PRO HA H 9 3.920 4.269 -0.349 1
1 95 . 20 1 1 A 9 9 PRO C C 9 178.500 178.810 -0.310 1
1 96 . 20 1 1 A 9 9 PRO CA C 9 65.800 65.360 0.440 1
1 97 . 20 1 1 A 9 9 PRO CB C 9 31.500 32.085 -0.585 1
1 100 . 20 1 1 A 10 10 GLU H H 10 8.610 8.356 0.254 1
1 101 . 20 1 1 A 10 10 GLU HA H 10 3.990 4.054 -0.064 1
1 106 . 20 1 1 A 10 10 GLU C C 10 179.100 179.394 -0.294 1
1 107 . 20 1 1 A 10 10 GLU CA C 10 60.000 59.152 0.848 1
1 108 . 20 1 1 A 10 10 GLU CB C 10 28.800 29.064 -0.264 1
1 110 . 20 1 1 A 10 10 GLU N N 10 116.600 118.054 -1.454 1
1 111 . 20 1 1 A 11 11 VAL H H 11 7.510 8.222 -0.712 1
1 112 . 20 1 1 A 11 11 VAL HA H 11 3.610 3.384 0.226 1
1 120 . 20 1 1 A 11 11 VAL C C 11 177.700 177.664 0.036 1
1 121 . 20 1 1 A 11 11 VAL CA C 11 66.400 66.956 -0.556 1
1 122 . 20 1 1 A 11 11 VAL CB C 11 31.600 31.480 0.120 1
1 125 . 20 1 1 A 11 11 VAL N N 11 122.700 120.915 1.785 1
1 126 . 20 1 1 A 12 12 ARG H H 12 7.800 7.910 -0.110 1
1 127 . 20 1 1 A 12 12 ARG HA H 12 3.440 3.416 0.024 1
1 135 . 20 1 1 A 12 12 ARG C C 12 178.000 178.809 -0.809 1
1 136 . 20 1 1 A 12 12 ARG CA C 12 59.300 59.217 0.083 1
1 137 . 20 1 1 A 12 12 ARG CB C 12 29.600 29.247 0.353 1
1 140 . 20 1 1 A 12 12 ARG N N 12 118.700 118.596 0.104 1
1 142 . 20 1 1 A 13 13 GLN H H 13 8.050 7.678 0.372 1
1 143 . 20 1 1 A 13 13 GLN HA H 13 3.860 3.873 -0.013 1
1 150 . 20 1 1 A 13 13 GLN C C 13 178.800 178.837 -0.037 1
1 151 . 20 1 1 A 13 13 GLN CA C 13 58.600 59.029 -0.429 1
1 152 . 20 1 1 A 13 13 GLN CB C 13 28.300 28.068 0.232 1
1 154 . 20 1 1 A 13 13 GLN N N 13 116.100 118.970 -2.870 1
1 156 . 20 1 1 A 14 14 ARG H H 14 7.750 8.131 -0.381 1
1 157 . 20 1 1 A 14 14 ARG HA H 14 3.970 3.979 -0.009 1
1 164 . 20 1 1 A 14 14 ARG C C 14 177.900 179.067 -1.167 1
1 165 . 20 1 1 A 14 14 ARG CA C 14 59.100 58.847 0.253 1
1 166 . 20 1 1 A 14 14 ARG CB C 14 30.000 29.559 0.441 1
1 169 . 20 1 1 A 14 14 ARG N N 14 120.400 118.674 1.726 1
1 170 . 20 1 1 A 15 15 ALA H H 15 8.500 8.009 0.491 1
1 171 . 20 1 1 A 15 15 ALA HA H 15 4.040 4.040 0.000 1
1 175 . 20 1 1 A 15 15 ALA C C 15 178.800 179.738 -0.938 1
1 176 . 20 1 1 A 15 15 ALA CA C 15 55.300 55.057 0.243 1
1 177 . 20 1 1 A 15 15 ALA CB C 15 19.700 18.679 1.021 1
1 178 . 20 1 1 A 15 15 ALA N N 15 122.200 122.285 -0.085 1
1 179 . 20 1 1 A 16 16 VAL H H 16 8.230 7.879 0.351 1
1 180 . 20 1 1 A 16 16 VAL HA H 16 3.360 3.355 0.005 1
1 188 . 20 1 1 A 16 16 VAL C C 16 177.700 177.771 -0.071 1
1 189 . 20 1 1 A 16 16 VAL CA C 16 67.100 66.969 0.131 1
1 190 . 20 1 1 A 16 16 VAL CB C 16 31.600 31.216 0.384 1
1 193 . 20 1 1 A 16 16 VAL N N 16 116.500 117.991 -1.491 1
1 194 . 20 1 1 A 17 17 ARG H H 17 7.900 8.125 -0.225 1
1 195 . 20 1 1 A 17 17 ARG HA H 17 3.830 3.927 -0.097 1
1 202 . 20 1 1 A 17 17 ARG C C 17 178.000 179.024 -1.024 1
1 203 . 20 1 1 A 17 17 ARG CA C 17 59.700 60.223 -0.523 1
1 204 . 20 1 1 A 17 17 ARG CB C 17 29.200 30.112 -0.912 1
1 207 . 20 1 1 A 17 17 ARG N N 17 119.000 119.485 -0.485 1
1 208 . 20 1 1 A 18 18 MET H H 18 8.210 8.185 0.025 1
1 209 . 20 1 1 A 18 18 MET HA H 18 4.090 4.190 -0.100 1
1 217 . 20 1 1 A 18 18 MET C C 18 179.400 178.063 1.337 1
1 218 . 20 1 1 A 18 18 MET CA C 18 59.500 58.426 1.074 1
1 219 . 20 1 1 A 18 18 MET CB C 18 33.600 32.263 1.337 1
1 222 . 20 1 1 A 18 18 MET N N 18 117.300 119.087 -1.787 1
1 223 . 20 1 1 A 19 19 VAL H H 19 7.790 8.294 -0.504 1
1 224 . 20 1 1 A 19 19 VAL HA H 19 3.390 3.628 -0.238 1
1 232 . 20 1 1 A 19 19 VAL C C 19 177.200 178.162 -0.962 1
1 233 . 20 1 1 A 19 19 VAL CA C 19 66.100 66.976 -0.876 1
1 234 . 20 1 1 A 19 19 VAL CB C 19 31.600 31.302 0.298 1
1 237 . 20 1 1 A 19 19 VAL N N 19 119.900 119.679 0.221 1
1 238 . 20 1 1 A 20 20 LEU H H 20 8.280 8.418 -0.138 1
1 239 . 20 1 1 A 20 20 LEU HA H 20 4.070 3.879 0.191 1
1 249 . 20 1 1 A 20 20 LEU C C 20 180.600 179.641 0.959 1
1 250 . 20 1 1 A 20 20 LEU CA C 20 57.900 58.169 -0.269 1
1 251 . 20 1 1 A 20 20 LEU CB C 20 40.800 41.106 -0.306 1
1 255 . 20 1 1 A 20 20 LEU N N 20 118.400 119.369 -0.969 1
1 256 . 20 1 1 A 21 21 GLU H H 21 8.690 8.263 0.427 1
1 257 . 20 1 1 A 21 21 GLU HA H 21 4.230 3.905 0.325 1
1 262 . 20 1 1 A 21 21 GLU C C 21 178.200 179.238 -1.038 1
1 263 . 20 1 1 A 21 21 GLU CA C 21 57.900 59.780 -1.880 1
1 264 . 20 1 1 A 21 21 GLU CB C 21 29.700 29.259 0.441 1
1 266 . 20 1 1 A 21 21 GLU N N 21 115.900 118.879 -2.979 1
1 267 . 20 1 1 A 22 22 SER H H 22 7.580 8.034 -0.454 1
1 268 . 20 1 1 A 22 22 SER HA H 22 4.790 4.383 0.407 1
1 271 . 20 1 1 A 22 22 SER C C 22 175.200 176.743 -1.543 1
1 272 . 20 1 1 A 22 22 SER CA C 22 59.500 61.043 -1.543 1
1 273 . 20 1 1 A 22 22 SER CB C 22 64.500 63.543 0.957 1
1 274 . 20 1 1 A 22 22 SER N N 22 113.000 117.262 -4.262 1
1 275 . 20 1 1 A 23 23 GLN H H 23 7.780 8.233 -0.453 1
1 276 . 20 1 1 A 23 23 GLN HA H 23 4.800 4.103 0.697 1
1 283 . 20 1 1 A 23 23 GLN C C 23 177.100 178.282 -1.182 1
1 284 . 20 1 1 A 23 23 GLN CA C 23 57.800 59.312 -1.512 1
1 285 . 20 1 1 A 23 23 GLN CB C 23 28.100 28.248 -0.148 1
1 287 . 20 1 1 A 23 23 GLN N N 23 119.900 122.573 -2.673 1
1 289 . 20 1 1 A 24 24 GLY H H 24 8.680 7.823 0.857 1
1 290 . 20 1 1 A 24 24 GLY HA2 H 24 3.860 3.875 -0.015 1
1 291 . 20 1 1 A 24 24 GLY HA3 H 24 4.110 3.883 0.227 1
1 292 . 20 1 1 A 24 24 GLY C C 24 175.100 175.213 -0.113 1
1 293 . 20 1 1 A 24 24 GLY CA C 24 45.900 46.480 -0.580 1
1 294 . 20 1 1 A 24 24 GLY N N 24 108.500 107.022 1.478 1
1 295 . 20 1 1 A 25 25 GLU H H 25 8.110 7.819 0.291 1
1 296 . 20 1 1 A 25 25 GLU HA H 25 4.210 4.232 -0.022 1
1 301 . 20 1 1 A 25 25 GLU C C 25 175.400 175.705 -0.305 1
1 302 . 20 1 1 A 25 25 GLU CA C 25 56.100 57.916 -1.816 1
1 303 . 20 1 1 A 25 25 GLU CB C 25 29.700 30.764 -1.064 1
1 305 . 20 1 1 A 25 25 GLU N N 25 118.200 120.587 -2.387 1
1 306 . 20 1 1 A 26 26 TYR H H 26 7.690 8.207 -0.517 1
1 307 . 20 1 1 A 26 26 TYR HA H 26 4.690 4.639 0.051 1
1 314 . 20 1 1 A 26 26 TYR C C 26 175.800 176.228 -0.428 1
1 315 . 20 1 1 A 26 26 TYR CA C 26 57.000 58.428 -1.428 1
1 316 . 20 1 1 A 26 26 TYR CB C 26 42.200 38.769 3.431 1
1 321 . 20 1 1 A 26 26 TYR N N 26 117.700 118.391 -0.691 1
1 322 . 20 1 1 A 27 27 ASP H H 27 8.850 8.875 -0.025 1
1 323 . 20 1 1 A 27 27 ASP HA H 27 4.520 4.365 0.155 1
1 326 . 20 1 1 A 27 27 ASP C C 27 175.900 177.284 -1.384 1
1 327 . 20 1 1 A 27 27 ASP CA C 27 55.400 57.657 -2.257 1
1 328 . 20 1 1 A 27 27 ASP CB C 27 41.200 40.847 0.353 1
1 329 . 20 1 1 A 27 27 ASP N N 27 117.500 124.861 -7.361 1
1 330 . 20 1 1 A 28 28 SER H H 28 7.550 8.243 -0.693 1
1 331 . 20 1 1 A 28 28 SER HA H 28 4.740 4.733 0.007 1
1 334 . 20 1 1 A 28 28 SER CA C 28 57.200 59.304 -2.104 1
1 335 . 20 1 1 A 28 28 SER CB C 28 65.800 64.182 1.618 1
1 336 . 20 1 1 A 28 28 SER N N 28 109.000 114.411 -5.411 1
1 337 . 20 1 1 A 29 29 GLN HA H 29 3.950 3.906 0.044 1
1 344 . 20 1 1 A 29 29 GLN C C 29 178.100 177.491 0.609 1
1 345 . 20 1 1 A 29 29 GLN CA C 29 60.200 58.534 1.666 1
1 346 . 20 1 1 A 29 29 GLN CB C 29 29.900 27.800 2.100 1
1 349 . 20 1 1 A 30 30 TRP H H 30 9.010 8.251 0.759 1
1 350 . 20 1 1 A 30 30 TRP HA H 30 4.720 4.427 0.293 1
1 359 . 20 1 1 A 30 30 TRP C C 30 177.100 178.808 -1.708 1
1 360 . 20 1 1 A 30 30 TRP CA C 30 59.300 59.986 -0.686 1
1 361 . 20 1 1 A 30 30 TRP CB C 30 30.000 29.186 0.814 1
1 367 . 20 1 1 A 30 30 TRP N N 30 121.400 120.670 0.730 1
1 369 . 20 1 1 A 31 31 ALA H H 31 8.360 8.075 0.285 1
1 370 . 20 1 1 A 31 31 ALA HA H 31 3.790 3.963 -0.173 1
1 374 . 20 1 1 A 31 31 ALA C C 31 180.300 179.517 0.783 1
1 375 . 20 1 1 A 31 31 ALA CA C 31 55.300 55.104 0.196 1
1 376 . 20 1 1 A 31 31 ALA CB C 31 18.200 17.984 0.216 1
1 377 . 20 1 1 A 31 31 ALA N N 31 121.600 122.295 -0.695 1
1 378 . 20 1 1 A 32 32 THR H H 32 7.420 7.339 0.081 1
1 379 . 20 1 1 A 32 32 THR HA H 32 2.620 3.447 -0.827 1
1 384 . 20 1 1 A 32 32 THR C C 32 176.700 176.275 0.425 1
1 385 . 20 1 1 A 32 32 THR CA C 32 66.200 66.979 -0.779 1
1 386 . 20 1 1 A 32 32 THR CB C 32 67.800 68.498 -0.698 1
1 388 . 20 1 1 A 32 32 THR N N 32 115.700 113.701 1.999 1
1 389 . 20 1 1 A 33 33 ILE H H 33 8.490 7.967 0.523 1
1 390 . 20 1 1 A 33 33 ILE HA H 33 3.180 3.468 -0.288 1
1 400 . 20 1 1 A 33 33 ILE C C 33 177.300 177.812 -0.512 1
1 401 . 20 1 1 A 33 33 ILE CA C 33 65.900 65.426 0.474 1
1 402 . 20 1 1 A 33 33 ILE CB C 33 37.700 37.822 -0.122 1
1 406 . 20 1 1 A 33 33 ILE N N 33 124.100 120.818 3.282 1
1 407 . 20 1 1 A 34 34 CYS H H 34 8.060 8.385 -0.325 1
1 408 . 20 1 1 A 34 34 CYS HA H 34 3.610 4.234 -0.624 1
1 411 . 20 1 1 A 34 34 CYS C C 34 175.800 176.582 -0.782 1
1 412 . 20 1 1 A 34 34 CYS CA C 34 63.800 61.494 2.306 1
1 413 . 20 1 1 A 34 34 CYS CB C 34 26.400 26.595 -0.195 1
1 414 . 20 1 1 A 34 34 CYS N N 34 115.900 118.816 -2.916 1
1 415 . 20 1 1 A 35 35 SER H H 35 7.150 7.279 -0.129 1
1 416 . 20 1 1 A 35 35 SER HA H 35 4.260 4.346 -0.086 1
1 419 . 20 1 1 A 35 35 SER C C 35 175.500 176.469 -0.969 1
1 420 . 20 1 1 A 35 35 SER CA C 35 60.200 61.291 -1.091 1
1 421 . 20 1 1 A 35 35 SER CB C 35 63.600 62.821 0.779 1
1 422 . 20 1 1 A 35 35 SER N N 35 113.600 115.719 -2.119 1
1 423 . 20 1 1 A 36 36 ILE H H 36 7.650 7.712 -0.062 1
1 424 . 20 1 1 A 36 36 ILE HA H 36 3.850 3.914 -0.064 1
1 434 . 20 1 1 A 36 36 ILE C C 36 176.900 177.610 -0.710 1
1 435 . 20 1 1 A 36 36 ILE CA C 36 61.700 63.484 -1.784 1
1 436 . 20 1 1 A 36 36 ILE CB C 36 37.700 37.724 -0.024 1
1 440 . 20 1 1 A 36 36 ILE N N 36 120.700 121.517 -0.817 1
1 441 . 20 1 1 A 37 37 ALA H H 37 8.200 8.527 -0.327 1
1 442 . 20 1 1 A 37 37 ALA HA H 37 3.860 4.025 -0.165 1
1 446 . 20 1 1 A 37 37 ALA CA C 37 57.400 57.144 0.256 1
1 447 . 20 1 1 A 37 37 ALA CB C 37 14.900 17.271 -2.371 1
1 448 . 20 1 1 A 37 37 ALA N N 37 122.200 124.539 -2.339 1
1 449 . 20 1 1 A 38 38 PRO HA H 38 4.470 4.378 0.092 1
1 456 . 20 1 1 A 38 38 PRO C C 38 178.800 178.747 0.053 1
1 457 . 20 1 1 A 38 38 PRO CA C 38 65.600 64.766 0.834 1
1 458 . 20 1 1 A 38 38 PRO CB C 38 31.000 31.400 -0.400 1
1 461 . 20 1 1 A 39 39 LYS H H 39 7.680 7.936 -0.256 1
1 462 . 20 1 1 A 39 39 LYS HA H 39 4.150 4.073 0.077 1
1 471 . 20 1 1 A 39 39 LYS C C 39 177.800 179.008 -1.208 1
1 472 . 20 1 1 A 39 39 LYS CA C 39 58.000 59.554 -1.554 1
1 473 . 20 1 1 A 39 39 LYS CB C 39 31.800 32.291 -0.491 1
1 477 . 20 1 1 A 39 39 LYS N N 39 115.500 118.323 -2.823 1
1 478 . 20 1 1 A 40 40 ILE H H 40 7.540 7.925 -0.385 1
1 479 . 20 1 1 A 40 40 ILE HA H 40 4.130 3.993 0.137 1
1 489 . 20 1 1 A 40 40 ILE C C 40 176.500 176.303 0.197 1
1 490 . 20 1 1 A 40 40 ILE CA C 40 59.600 62.726 -3.126 1
1 491 . 20 1 1 A 40 40 ILE CB C 40 37.300 38.499 -1.199 1
1 495 . 20 1 1 A 40 40 ILE N N 40 117.500 117.610 -0.110 1
1 496 . 20 1 1 A 41 41 GLY H H 41 8.430 8.395 0.035 1
1 497 . 20 1 1 A 41 41 GLY HA2 H 41 4.550 3.991 0.559 1
1 498 . 20 1 1 A 41 41 GLY HA3 H 41 3.790 3.993 -0.203 1
1 499 . 20 1 1 A 41 41 GLY C C 41 173.900 173.820 0.080 1
1 500 . 20 1 1 A 41 41 GLY CA C 41 44.900 45.656 -0.756 1
1 501 . 20 1 1 A 41 41 GLY N N 41 105.100 108.440 -3.340 1
1 502 . 20 1 1 A 42 42 CYS H H 42 7.360 7.939 -0.579 1
1 503 . 20 1 1 A 42 42 CYS HA H 42 5.220 4.991 0.229 1
1 506 . 20 1 1 A 42 42 CYS C C 42 173.100 173.427 -0.327 1
1 507 . 20 1 1 A 42 42 CYS CA C 42 53.300 56.760 -3.460 1
1 508 . 20 1 1 A 42 42 CYS CB C 42 31.700 31.448 0.252 1
1 509 . 20 1 1 A 42 42 CYS N N 42 115.400 116.421 -1.021 1
1 510 . 20 1 1 A 43 43 THR H H 43 8.550 8.710 -0.160 1
1 511 . 20 1 1 A 43 43 THR HA H 43 4.560 4.633 -0.073 1
1 516 . 20 1 1 A 43 43 THR CA C 43 59.800 60.158 -0.358 1
1 517 . 20 1 1 A 43 43 THR CB C 43 68.500 69.014 -0.514 1
1 519 . 20 1 1 A 43 43 THR N N 43 111.500 114.030 -2.530 1
1 520 . 20 1 1 A 44 44 PRO HA H 44 3.680 4.134 -0.454 1
1 527 . 20 1 1 A 44 44 PRO C C 44 177.300 178.867 -1.567 1
1 528 . 20 1 1 A 44 44 PRO CA C 44 65.200 65.640 -0.440 1
1 529 . 20 1 1 A 44 44 PRO CB C 44 32.400 31.942 0.458 1
1 532 . 20 1 1 A 45 45 GLU H H 45 8.900 8.254 0.646 1
1 533 . 20 1 1 A 45 45 GLU HA H 45 3.990 4.017 -0.027 1
1 538 . 20 1 1 A 45 45 GLU C C 45 179.000 179.090 -0.090 1
1 539 . 20 1 1 A 45 45 GLU CA C 45 61.300 59.403 1.897 1
1 540 . 20 1 1 A 45 45 GLU CB C 45 28.200 29.170 -0.970 1
1 542 . 20 1 1 A 45 45 GLU N N 45 117.100 117.899 -0.799 1
1 543 . 20 1 1 A 46 46 THR H H 46 7.680 7.667 0.013 1
1 544 . 20 1 1 A 46 46 THR HA H 46 3.560 3.726 -0.166 1
1 549 . 20 1 1 A 46 46 THR C C 46 173.800 175.967 -2.167 1
1 550 . 20 1 1 A 46 46 THR CA C 46 66.300 66.620 -0.320 1
1 551 . 20 1 1 A 46 46 THR CB C 46 68.000 67.952 0.048 1
1 553 . 20 1 1 A 46 46 THR N N 46 118.800 118.484 0.316 1
1 554 . 20 1 1 A 47 47 LEU H H 47 7.040 8.099 -1.059 1
1 555 . 20 1 1 A 47 47 LEU HA H 47 3.170 3.732 -0.562 1
1 565 . 20 1 1 A 47 47 LEU C C 47 177.500 178.390 -0.890 1
1 566 . 20 1 1 A 47 47 LEU CA C 47 56.800 57.821 -1.021 1
1 567 . 20 1 1 A 47 47 LEU CB C 47 40.500 41.631 -1.131 1
1 571 . 20 1 1 A 47 47 LEU N N 47 120.600 121.222 -0.622 1
1 572 . 20 1 1 A 48 48 ARG H H 48 8.430 8.077 0.353 1
1 573 . 20 1 1 A 48 48 ARG HA H 48 3.880 3.832 0.048 1
1 580 . 20 1 1 A 48 48 ARG C C 48 177.400 178.642 -1.242 1
1 581 . 20 1 1 A 48 48 ARG CA C 48 60.200 58.896 1.304 1
1 582 . 20 1 1 A 48 48 ARG CB C 48 30.500 29.691 0.809 1
1 585 . 20 1 1 A 48 48 ARG N N 48 118.200 119.400 -1.200 1
1 586 . 20 1 1 A 49 49 VAL H H 49 7.400 7.264 0.136 1
1 587 . 20 1 1 A 49 49 VAL HA H 49 3.630 3.558 0.072 1
1 595 . 20 1 1 A 49 49 VAL C C 49 178.900 178.363 0.537 1
1 596 . 20 1 1 A 49 49 VAL CA C 49 67.200 66.602 0.598 1
1 597 . 20 1 1 A 49 49 VAL CB C 49 30.700 31.528 -0.828 1
1 600 . 20 1 1 A 49 49 VAL N N 49 120.300 118.694 1.606 1
1 601 . 20 1 1 A 50 50 TRP H H 50 7.850 7.736 0.114 1
1 602 . 20 1 1 A 50 50 TRP HA H 50 4.740 4.461 0.279 1
1 611 . 20 1 1 A 50 50 TRP C C 50 180.400 179.160 1.240 1
1 612 . 20 1 1 A 50 50 TRP CA C 50 57.800 60.244 -2.444 1
1 613 . 20 1 1 A 50 50 TRP CB C 50 28.700 29.428 -0.728 1
1 619 . 20 1 1 A 50 50 TRP N N 50 120.300 119.857 0.443 1
1 621 . 20 1 1 A 51 51 VAL H H 51 8.820 8.030 0.790 1
1 622 . 20 1 1 A 51 51 VAL HA H 51 3.690 3.658 0.032 1
1 630 . 20 1 1 A 51 51 VAL C C 51 177.700 177.858 -0.158 1
1 631 . 20 1 1 A 51 51 VAL CA C 51 66.800 66.769 0.031 1
1 632 . 20 1 1 A 51 51 VAL CB C 51 32.000 31.596 0.404 1
1 635 . 20 1 1 A 51 51 VAL N N 51 121.300 120.062 1.238 1
1 636 . 20 1 1 A 52 52 ARG H H 52 8.740 8.269 0.471 1
1 637 . 20 1 1 A 52 52 ARG HA H 52 4.260 3.954 0.306 1
1 644 . 20 1 1 A 52 52 ARG C C 52 179.500 179.112 0.388 1
1 645 . 20 1 1 A 52 52 ARG CA C 52 58.900 59.687 -0.787 1
1 646 . 20 1 1 A 52 52 ARG CB C 52 29.900 29.742 0.158 1
1 649 . 20 1 1 A 52 52 ARG N N 52 120.200 118.833 1.367 1
1 650 . 20 1 1 A 53 53 GLN H H 53 8.540 8.224 0.316 1
1 651 . 20 1 1 A 53 53 GLN HA H 53 4.050 4.084 -0.034 1
1 658 . 20 1 1 A 53 53 GLN C C 53 177.600 177.665 -0.065 1
1 659 . 20 1 1 A 53 53 GLN CA C 53 58.700 58.822 -0.122 1
1 660 . 20 1 1 A 53 53 GLN CB C 53 28.100 28.811 -0.711 1
1 662 . 20 1 1 A 53 53 GLN N N 53 119.100 119.533 -0.433 1
1 664 . 20 1 1 A 54 54 HIS H H 54 8.010 7.583 0.427 1
1 665 . 20 1 1 A 54 54 HIS HA H 54 4.410 4.576 -0.166 1
1 668 . 20 1 1 A 54 54 HIS C C 54 177.800 176.902 0.898 1
1 669 . 20 1 1 A 54 54 HIS CA C 54 59.700 58.762 0.938 1
1 670 . 20 1 1 A 54 54 HIS CB C 54 30.600 29.394 1.206 1
1 671 . 20 1 1 A 54 54 HIS N N 54 119.300 118.341 0.959 1
1 672 . 20 1 1 A 55 55 GLU H H 55 8.460 7.970 0.490 1
1 673 . 20 1 1 A 55 55 GLU HA H 55 3.940 4.138 -0.198 1
1 678 . 20 1 1 A 55 55 GLU C C 55 178.400 178.427 -0.027 1
1 679 . 20 1 1 A 55 55 GLU CA C 55 58.800 58.679 0.121 1
1 680 . 20 1 1 A 55 55 GLU CB C 55 29.800 30.345 -0.545 1
1 682 . 20 1 1 A 55 55 GLU N N 55 119.700 121.094 -1.394 1
1 683 . 20 1 1 A 56 56 ARG H H 56 7.990 8.518 -0.528 1
1 684 . 20 1 1 A 56 56 ARG HA H 56 4.160 4.180 -0.020 1
1 691 . 20 1 1 A 56 56 ARG C C 56 177.800 178.336 -0.536 1
1 692 . 20 1 1 A 56 56 ARG CA C 56 58.100 58.407 -0.307 1
1 693 . 20 1 1 A 56 56 ARG CB C 56 30.100 30.285 -0.185 1
1 696 . 20 1 1 A 56 56 ARG N N 56 119.200 119.872 -0.672 1
1 697 . 20 1 1 A 57 57 ASP H H 57 8.300 7.650 0.650 1
1 698 . 20 1 1 A 57 57 ASP HA H 57 4.550 4.408 0.142 1
1 701 . 20 1 1 A 57 57 ASP C C 57 177.400 178.699 -1.299 1
1 702 . 20 1 1 A 57 57 ASP CA C 57 55.800 56.807 -1.007 1
1 703 . 20 1 1 A 57 57 ASP CB C 57 40.800 40.498 0.302 1
1 704 . 20 1 1 A 57 57 ASP N N 57 120.000 120.260 -0.260 1
1 705 . 20 1 1 A 58 58 THR H H 58 7.890 7.491 0.399 1
1 706 . 20 1 1 A 58 58 THR HA H 58 4.310 4.158 0.152 1
1 711 . 20 1 1 A 58 58 THR C C 58 175.500 175.807 -0.307 1
1 712 . 20 1 1 A 58 58 THR CA C 58 62.200 66.257 -4.057 1
1 713 . 20 1 1 A 58 58 THR CB C 58 69.800 68.992 0.808 1
1 715 . 20 1 1 A 58 58 THR N N 58 111.300 113.493 -2.193 1
1 716 . 20 1 1 A 59 59 GLY H H 59 8.070 7.467 0.603 1
1 717 . 20 1 1 A 59 59 GLY HA2 H 59 4.010 4.060 -0.050 1
1 718 . 20 1 1 A 59 59 GLY HA3 H 59 4.010 4.064 -0.054 1
1 719 . 20 1 1 A 59 59 GLY C C 59 174.700 172.710 1.990 1
1 720 . 20 1 1 A 59 59 GLY CA C 59 45.600 45.843 -0.243 1
1 721 . 20 1 1 A 59 59 GLY N N 59 110.600 105.584 5.016 1
1 722 . 20 1 1 A 60 60 GLY H H 60 8.260 8.618 -0.358 1
1 723 . 20 1 1 A 60 60 GLY HA2 H 60 3.990 4.292 -0.302 1
1 724 . 20 1 1 A 60 60 GLY HA3 H 60 3.990 4.293 -0.303 1
1 725 . 20 1 1 A 60 60 GLY C C 60 173.900 174.352 -0.452 1
1 726 . 20 1 1 A 60 60 GLY CA C 60 45.100 44.932 0.168 1
1 727 . 20 1 1 A 60 60 GLY N N 60 108.700 109.735 -1.035 1
1 728 . 20 1 1 A 61 61 ASP H H 61 8.320 8.494 -0.174 1
1 729 . 20 1 1 A 61 61 ASP HA H 61 4.650 4.510 0.140 1
1 732 . 20 1 1 A 61 61 ASP C C 61 176.200 175.876 0.324 1
1 733 . 20 1 1 A 61 61 ASP CA C 61 54.200 56.182 -1.982 1
1 734 . 20 1 1 A 61 61 ASP CB C 61 41.300 41.841 -0.541 1
1 735 . 20 1 1 A 61 61 ASP N N 61 120.500 122.011 -1.511 1
1 736 . 20 1 1 A 62 62 ASP H H 62 8.400 7.805 0.595 1
1 737 . 20 1 1 A 62 62 ASP HA H 62 4.600 5.018 -0.418 1
1 740 . 20 1 1 A 62 62 ASP C C 62 177.100 176.881 0.219 1
1 741 . 20 1 1 A 62 62 ASP CA C 62 54.200 53.323 0.877 1
1 742 . 20 1 1 A 62 62 ASP CB C 62 41.100 43.719 -2.619 1
1 743 . 20 1 1 A 62 62 ASP N N 62 121.100 118.513 2.587 1
1 744 . 20 1 1 A 63 63 GLY H H 63 8.500 8.976 -0.476 1
1 745 . 20 1 1 A 63 63 GLY HA2 H 63 3.950 4.156 -0.206 1
1 746 . 20 1 1 A 63 63 GLY HA3 H 63 3.950 4.156 -0.206 1
1 747 . 20 1 1 A 63 63 GLY C C 63 175.000 174.139 0.861 1
1 748 . 20 1 1 A 63 63 GLY CA C 63 45.700 45.577 0.123 1
1 749 . 20 1 1 A 63 63 GLY N N 63 109.400 111.947 -2.547 1
1 750 . 20 1 1 A 64 64 GLY H H 64 8.360 8.235 0.125 1
1 751 . 20 1 1 A 64 64 GLY HA2 H 64 3.950 4.121 -0.171 1
1 752 . 20 1 1 A 64 64 GLY HA3 H 64 3.950 4.123 -0.173 1
1 753 . 20 1 1 A 64 64 GLY C C 64 174.300 173.126 1.174 1
1 754 . 20 1 1 A 64 64 GLY CA C 64 45.300 44.447 0.853 1
1 755 . 20 1 1 A 64 64 GLY N N 64 108.700 107.485 1.215 1
1 756 . 20 1 1 A 65 65 LEU H H 65 8.020 8.626 -0.606 1
1 757 . 20 1 1 A 65 65 LEU HA H 65 4.460 4.533 -0.073 1
1 767 . 20 1 1 A 65 65 LEU C C 65 178.000 175.526 2.474 1
1 768 . 20 1 1 A 65 65 LEU CA C 65 55.200 53.960 1.240 1
1 769 . 20 1 1 A 65 65 LEU CB C 65 42.700 40.520 2.180 1
1 773 . 20 1 1 A 65 65 LEU N N 65 121.300 122.740 -1.440 1
1 774 . 20 1 1 A 66 66 THR H H 66 8.470 8.518 -0.048 1
1 775 . 20 1 1 A 66 66 THR HA H 66 4.440 4.740 -0.300 1
1 780 . 20 1 1 A 66 66 THR C C 66 175.200 173.867 1.333 1
1 781 . 20 1 1 A 66 66 THR CA C 66 61.600 60.693 0.907 1
1 782 . 20 1 1 A 66 66 THR CB C 66 70.200 70.329 -0.129 1
1 784 . 20 1 1 A 66 66 THR N N 66 114.300 119.169 -4.869 1
1 785 . 20 1 1 A 67 67 THR H H 67 8.370 8.661 -0.291 1
1 786 . 20 1 1 A 67 67 THR HA H 67 4.110 4.609 -0.499 1
1 791 . 20 1 1 A 67 67 THR C C 67 175.300 173.611 1.689 1
1 792 . 20 1 1 A 67 67 THR CA C 67 63.900 61.276 2.624 1
1 793 . 20 1 1 A 67 67 THR CB C 67 69.100 70.112 -1.012 1
1 795 . 20 1 1 A 67 67 THR N N 67 116.600 119.567 -2.967 1
1 796 . 20 1 1 A 68 68 ALA H H 68 8.340 7.288 1.052 1
1 797 . 20 1 1 A 68 68 ALA HA H 68 4.220 4.707 -0.487 1
1 801 . 20 1 1 A 68 68 ALA C C 68 179.100 175.946 3.154 1
1 802 . 20 1 1 A 68 68 ALA CA C 68 53.800 51.013 2.787 1
1 803 . 20 1 1 A 68 68 ALA CB C 68 18.700 23.290 -4.590 1
1 804 . 20 1 1 A 68 68 ALA N N 68 124.500 122.629 1.871 1
1 805 . 20 1 1 A 69 69 GLU H H 69 8.090 8.652 -0.562 1
1 806 . 20 1 1 A 69 69 GLU HA H 69 4.140 4.375 -0.235 1
1 811 . 20 1 1 A 69 69 GLU C C 69 177.800 177.207 0.593 1
1 812 . 20 1 1 A 69 69 GLU CA C 69 57.700 57.033 0.667 1
1 813 . 20 1 1 A 69 69 GLU CB C 69 30.100 30.504 -0.404 1
1 815 . 20 1 1 A 69 69 GLU N N 69 119.000 119.717 -0.717 1
1 816 . 20 1 1 A 70 70 ARG H H 70 8.300 8.620 -0.320 1
1 817 . 20 1 1 A 70 70 ARG HA H 70 4.140 4.228 -0.088 1
1 824 . 20 1 1 A 70 70 ARG C C 70 177.400 175.176 2.224 1
1 825 . 20 1 1 A 70 70 ARG CA C 70 57.500 56.231 1.269 1
1 826 . 20 1 1 A 70 70 ARG CB C 70 30.300 29.389 0.911 1
1 829 . 20 1 1 A 70 70 ARG N N 70 120.400 122.041 -1.641 1
1 830 . 20 1 1 A 71 71 GLN H H 71 8.200 8.198 0.002 1
1 831 . 20 1 1 A 71 71 GLN HA H 71 4.200 4.485 -0.285 1
1 838 . 20 1 1 A 71 71 GLN C C 71 176.600 174.068 2.532 1
1 839 . 20 1 1 A 71 71 GLN CA C 71 56.800 55.776 1.024 1
1 840 . 20 1 1 A 71 71 GLN CB C 71 28.900 29.666 -0.766 1
1 842 . 20 1 1 A 71 71 GLN N N 71 119.500 120.298 -0.798 1
1 844 . 20 1 1 A 72 72 ARG H H 72 7.990 8.796 -0.806 1
1 845 . 20 1 1 A 72 72 ARG HA H 72 4.240 4.501 -0.261 1
1 847 . 20 1 1 A 72 72 ARG C C 72 176.600 176.676 -0.076 1
1 848 . 20 1 1 A 72 72 ARG CA C 72 56.900 56.380 0.520 1
1 849 . 20 1 1 A 72 72 ARG CB C 72 30.500 30.032 0.468 1
1 852 . 20 1 1 A 72 72 ARG N N 72 120.600 129.438 -8.838 1
1 853 . 20 1 1 A 73 73 LEU H H 73 7.980 8.810 -0.830 1
1 854 . 20 1 1 A 73 73 LEU HA H 73 4.280 4.481 -0.201 1
1 864 . 20 1 1 A 73 73 LEU C C 73 177.100 176.863 0.237 1
1 865 . 20 1 1 A 73 73 LEU CA C 73 55.300 56.411 -1.111 1
1 866 . 20 1 1 A 73 73 LEU CB C 73 42.200 42.877 -0.677 1
1 870 . 20 1 1 A 73 73 LEU N N 73 121.400 129.379 -7.979 1
1 871 . 20 1 1 A 74 74 LYS H H 74 8.050 7.512 0.538 1
1 872 . 20 1 1 A 74 74 LYS HA H 74 4.300 4.319 -0.019 1
1 881 . 20 1 1 A 74 74 LYS C C 74 176.100 175.730 0.370 1
1 882 . 20 1 1 A 74 74 LYS CA C 74 56.000 55.537 0.463 1
1 883 . 20 1 1 A 74 74 LYS CB C 74 33.000 31.334 1.666 1
1 887 . 20 1 1 A 74 74 LYS N N 74 121.000 119.616 1.384 1
1 888 . 20 1 1 A 75 75 GLU H H 75 8.360 8.172 0.188 1
1 889 . 20 1 1 A 75 75 GLU HA H 75 4.550 4.717 -0.167 1
1 894 . 20 1 1 A 75 75 GLU CA C 75 54.400 54.336 0.064 1
1 895 . 20 1 1 A 75 75 GLU CB C 75 29.600 29.947 -0.347 1
1 897 . 20 1 1 A 75 75 GLU N N 75 123.800 125.507 -1.707 1
1 898 . 20 1 1 A 76 76 PRO HA H 76 4.410 4.607 -0.197 1
1 905 . 20 1 1 A 76 76 PRO C C 76 177.000 175.151 1.849 1
1 906 . 20 1 1 A 76 76 PRO CA C 76 63.300 63.767 -0.467 1
1 907 . 20 1 1 A 76 76 PRO CB C 76 32.000 32.127 -0.127 1
1 910 . 20 1 1 A 77 77 GLU H H 77 8.580 7.604 0.976 1
1 911 . 20 1 1 A 77 77 GLU HA H 77 4.220 4.770 -0.550 1
1 916 . 20 1 1 A 77 77 GLU C C 77 176.700 175.537 1.163 1
1 917 . 20 1 1 A 77 77 GLU CA C 77 56.800 55.081 1.719 1
1 918 . 20 1 1 A 77 77 GLU CB C 77 29.900 33.580 -3.680 1
1 920 . 20 1 1 A 77 77 GLU N N 77 120.800 114.739 6.061 1
1 921 . 20 1 1 A 78 78 ARG H H 78 8.330 8.564 -0.234 1
1 922 . 20 1 1 A 78 78 ARG HA H 78 4.270 4.674 -0.404 1
1 925 . 20 1 1 A 78 78 ARG C C 78 176.500 176.592 -0.092 1
1 926 . 20 1 1 A 78 78 ARG CA C 78 56.700 55.898 0.802 1
1 927 . 20 1 1 A 78 78 ARG CB C 78 30.600 31.898 -1.298 1
1 930 . 20 1 1 A 78 78 ARG N N 78 122.000 118.466 3.534 1
1 931 . 20 1 1 A 79 79 GLU H H 79 8.020 8.159 -0.139 1
1 932 . 20 1 1 A 79 79 GLU HA H 79 4.230 4.514 -0.284 1
1 937 . 20 1 1 A 79 79 GLU C C 79 176.100 177.116 -1.016 1
1 938 . 20 1 1 A 79 79 GLU CA C 79 56.500 55.990 0.510 1
1 939 . 20 1 1 A 79 79 GLU CB C 79 30.200 30.273 -0.073 1
1 941 . 20 1 1 A 79 79 GLU N N 79 121.900 118.112 3.788 1
1 942 . 20 1 1 A 80 80 ASN H H 80 8.510 8.144 0.366 1
1 943 . 20 1 1 A 80 80 ASN HA H 80 4.690 5.046 -0.356 1
1 948 . 20 1 1 A 80 80 ASN C C 80 175.400 175.049 0.351 1
1 949 . 20 1 1 A 80 80 ASN CA C 80 53.300 52.860 0.440 1
1 950 . 20 1 1 A 80 80 ASN CB C 80 38.500 39.159 -0.659 1
1 951 . 20 1 1 A 80 80 ASN N N 80 120.000 117.338 2.662 1
1 953 . 20 1 1 A 81 81 ARG H H 81 8.400 7.493 0.907 1
1 954 . 20 1 1 A 81 81 ARG HA H 81 4.250 4.534 -0.284 1
1 961 . 20 1 1 A 81 81 ARG C C 81 175.600 175.546 0.054 1
1 962 . 20 1 1 A 81 81 ARG CA C 81 56.500 54.878 1.622 1
1 963 . 20 1 1 A 81 81 ARG CB C 81 30.800 28.590 2.210 1
1 966 . 20 1 1 A 81 81 ARG N N 81 121.900 120.405 1.495 1
1 967 . 20 1 1 A 82 82 GLU H H 82 8.410 8.247 0.163 1
1 968 . 20 1 1 A 82 82 GLU HA H 82 4.240 4.389 -0.149 1
1 973 . 20 1 1 A 82 82 GLU C C 82 176.400 175.689 0.711 1
1 974 . 20 1 1 A 82 82 GLU CA C 82 56.700 56.388 0.312 1
1 975 . 20 1 1 A 82 82 GLU CB C 82 29.900 28.646 1.254 1
1 977 . 20 1 1 A 82 82 GLU N N 82 120.900 123.034 -2.134 1
1 978 . 20 1 1 A 83 83 LEU H H 83 8.120 8.443 -0.323 1
1 979 . 20 1 1 A 83 83 LEU HA H 83 4.310 4.521 -0.211 1
1 988 . 20 1 1 A 83 83 LEU C C 83 177.100 176.193 0.907 1
1 989 . 20 1 1 A 83 83 LEU CA C 83 55.200 55.725 -0.525 1
1 990 . 20 1 1 A 83 83 LEU CB C 83 42.100 43.955 -1.855 1
1 994 . 20 1 1 A 83 83 LEU N N 83 122.800 124.740 -1.940 1
1 995 . 20 1 1 A 84 84 ARG H H 84 8.260 7.854 0.406 1
1 996 . 20 1 1 A 84 84 ARG HA H 84 4.340 4.541 -0.201 1
1 999 . 20 1 1 A 84 84 ARG C C 84 176.000 175.554 0.446 1
1 1000 . 20 1 1 A 84 84 ARG CA C 84 55.900 55.336 0.564 1
1 1001 . 20 1 1 A 84 84 ARG CB C 84 30.600 30.234 0.366 1
1 1004 . 20 1 1 A 84 84 ARG N N 84 121.800 116.021 5.779 1
1 1005 . 20 1 1 A 85 85 ARG H H 85 8.390 8.388 0.002 1
1 1006 . 20 1 1 A 85 85 ARG HA H 85 4.390 4.235 0.155 1
1 1009 . 20 1 1 A 85 85 ARG C C 85 176.100 176.525 -0.425 1
1 1010 . 20 1 1 A 85 85 ARG CA C 85 56.000 56.363 -0.363 1
1 1011 . 20 1 1 A 85 85 ARG CB C 85 31.000 30.365 0.635 1
1 1014 . 20 1 1 A 85 85 ARG N N 85 122.800 123.331 -0.531 1
1 1015 . 20 1 1 A 86 86 SER H H 86 8.430 8.622 -0.192 1
1 1016 . 20 1 1 A 86 86 SER HA H 86 4.470 4.864 -0.394 1
1 1019 . 20 1 1 A 86 86 SER C C 86 173.300 174.588 -1.288 1
1 1020 . 20 1 1 A 86 86 SER CA C 86 58.200 57.767 0.433 1
1 1021 . 20 1 1 A 86 86 SER CB C 86 64.000 63.742 0.258 1
1 1022 . 20 1 1 A 86 86 SER N N 86 117.500 117.442 0.058 1
1 1023 . 20 1 1 A 87 87 ASN H H 87 8.120 8.155 -0.035 1
1 1024 . 20 1 1 A 87 87 ASN HA H 87 4.470 4.576 -0.106 1
1 1029 . 20 1 1 A 87 87 ASN CA C 87 54.800 55.329 -0.529 1
1 1030 . 20 1 1 A 87 87 ASN CB C 87 40.100 39.080 1.020 1
1 1031 . 20 1 1 A 87 87 ASN N N 87 125.900 119.570 6.330 1
1 1033 . 20 1 1 A 88 88 ASP HA H 88 4.640 4.833 -0.193 1
1 1036 . 20 1 1 A 88 88 ASP C C 88 175.700 176.173 -0.473 1
1 1037 . 20 1 1 A 88 88 ASP CA C 88 54.500 55.014 -0.514 1
1 1038 . 20 1 1 A 88 88 ASP CB C 88 41.100 42.314 -1.214 1
1 1039 . 20 1 1 A 89 89 ILE H H 89 8.000 7.719 0.281 1
1 1040 . 20 1 1 A 89 89 ILE HA H 89 4.160 4.174 -0.014 1
1 1050 . 20 1 1 A 89 89 ILE C C 89 175.200 175.761 -0.561 1
1 1051 . 20 1 1 A 89 89 ILE CA C 89 61.100 60.950 0.150 1
1 1052 . 20 1 1 A 89 89 ILE CB C 89 38.500 37.166 1.334 1
1 1056 . 20 1 1 A 89 89 ILE N N 89 120.400 115.919 4.481 1
1 1057 . 20 1 1 A 90 90 LEU H H 90 7.880 8.360 -0.480 1
1 1058 . 20 1 1 A 90 90 LEU HA H 90 4.190 3.925 0.265 1
1 1067 . 20 1 1 A 90 90 LEU CA C 90 56.700 55.552 1.148 1
1 1068 . 20 1 1 A 90 90 LEU CB C 90 43.300 40.418 2.882 1
1 1072 . 20 1 1 A 90 90 LEU N N 90 131.900 120.779 11.121 1
1 1073 . 20 1 1 A 93 93 ALA HA H 93 4.370 4.363 0.007 1
1 1077 . 20 1 1 A 93 93 ALA C C 93 176.600 176.899 -0.299 1
1 1078 . 20 1 1 A 93 93 ALA CA C 93 52.300 51.824 0.476 1
1 1079 . 20 1 1 A 93 93 ALA CB C 93 19.200 18.542 0.658 1
1 1080 . 20 1 1 A 94 94 SER H H 94 7.910 8.308 -0.398 1
1 1081 . 20 1 1 A 94 94 SER HA H 94 4.250 4.737 -0.487 1
1 1084 . 20 1 1 A 94 94 SER CA C 94 59.900 57.191 2.709 1
1 1085 . 20 1 1 A 94 94 SER CB C 94 64.700 62.765 1.935 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 83 1.008 1
2 1 1 1 "RMS(OBS, PRED)" CA 91 1.480 1
3 1 1 1 "RMS(OBS, PRED)" CB 85 1.176 1
4 1 1 1 "RMS(OBS, PRED)" H 83 0.436 1
5 1 1 1 "RMS(OBS, PRED)" HA 97 0.306 1
6 1 1 1 "RMS(OBS, PRED)" N 82 2.950 1
7 1 2 1 "RMS(OBS, PRED)" C 83 1.086 1
8 1 2 1 "RMS(OBS, PRED)" CA 91 1.371 1
9 1 2 1 "RMS(OBS, PRED)" CB 85 1.313 1
10 1 2 1 "RMS(OBS, PRED)" H 83 0.448 1
11 1 2 1 "RMS(OBS, PRED)" HA 97 0.333 1
12 1 2 1 "RMS(OBS, PRED)" N 82 2.919 1
13 1 3 1 "RMS(OBS, PRED)" C 83 1.045 1
14 1 3 1 "RMS(OBS, PRED)" CA 91 1.398 1
15 1 3 1 "RMS(OBS, PRED)" CB 85 1.186 1
16 1 3 1 "RMS(OBS, PRED)" H 83 0.420 1
17 1 3 1 "RMS(OBS, PRED)" HA 97 0.269 1
18 1 3 1 "RMS(OBS, PRED)" N 82 2.683 1
19 1 4 1 "RMS(OBS, PRED)" C 83 1.029 1
20 1 4 1 "RMS(OBS, PRED)" CA 91 1.484 1
21 1 4 1 "RMS(OBS, PRED)" CB 85 1.241 1
22 1 4 1 "RMS(OBS, PRED)" H 83 0.456 1
23 1 4 1 "RMS(OBS, PRED)" HA 97 0.285 1
24 1 4 1 "RMS(OBS, PRED)" N 82 2.873 1
25 1 5 1 "RMS(OBS, PRED)" C 83 0.859 1
26 1 5 1 "RMS(OBS, PRED)" CA 91 1.382 1
27 1 5 1 "RMS(OBS, PRED)" CB 85 1.115 1
28 1 5 1 "RMS(OBS, PRED)" H 83 0.443 1
29 1 5 1 "RMS(OBS, PRED)" HA 97 0.284 1
30 1 5 1 "RMS(OBS, PRED)" N 82 2.662 1
31 1 6 1 "RMS(OBS, PRED)" C 83 1.042 1
32 1 6 1 "RMS(OBS, PRED)" CA 91 1.428 1
33 1 6 1 "RMS(OBS, PRED)" CB 85 1.205 1
34 1 6 1 "RMS(OBS, PRED)" H 83 0.493 1
35 1 6 1 "RMS(OBS, PRED)" HA 97 0.307 1
36 1 6 1 "RMS(OBS, PRED)" N 82 2.962 1
37 1 7 1 "RMS(OBS, PRED)" C 83 0.957 1
38 1 7 1 "RMS(OBS, PRED)" CA 91 1.376 1
39 1 7 1 "RMS(OBS, PRED)" CB 85 1.191 1
40 1 7 1 "RMS(OBS, PRED)" H 83 0.438 1
41 1 7 1 "RMS(OBS, PRED)" HA 97 0.282 1
42 1 7 1 "RMS(OBS, PRED)" N 82 2.739 1
43 1 8 1 "RMS(OBS, PRED)" C 83 0.974 1
44 1 8 1 "RMS(OBS, PRED)" CA 91 1.363 1
45 1 8 1 "RMS(OBS, PRED)" CB 85 1.336 1
46 1 8 1 "RMS(OBS, PRED)" H 83 0.458 1
47 1 8 1 "RMS(OBS, PRED)" HA 97 0.267 1
48 1 8 1 "RMS(OBS, PRED)" N 82 2.743 1
49 1 9 1 "RMS(OBS, PRED)" C 83 1.067 1
50 1 9 1 "RMS(OBS, PRED)" CA 91 1.341 1
51 1 9 1 "RMS(OBS, PRED)" CB 85 1.303 1
52 1 9 1 "RMS(OBS, PRED)" H 83 0.463 1
53 1 9 1 "RMS(OBS, PRED)" HA 97 0.308 1
54 1 9 1 "RMS(OBS, PRED)" N 82 3.313 1
55 1 10 1 "RMS(OBS, PRED)" C 83 0.994 1
56 1 10 1 "RMS(OBS, PRED)" CA 91 1.569 1
57 1 10 1 "RMS(OBS, PRED)" CB 85 1.317 1
58 1 10 1 "RMS(OBS, PRED)" H 83 0.442 1
59 1 10 1 "RMS(OBS, PRED)" HA 97 0.309 1
60 1 10 1 "RMS(OBS, PRED)" N 82 2.893 1
61 1 11 1 "RMS(OBS, PRED)" C 83 1.011 1
62 1 11 1 "RMS(OBS, PRED)" CA 91 1.508 1
63 1 11 1 "RMS(OBS, PRED)" CB 85 1.358 1
64 1 11 1 "RMS(OBS, PRED)" H 83 0.447 1
65 1 11 1 "RMS(OBS, PRED)" HA 97 0.328 1
66 1 11 1 "RMS(OBS, PRED)" N 82 2.750 1
67 1 12 1 "RMS(OBS, PRED)" C 83 1.013 1
68 1 12 1 "RMS(OBS, PRED)" CA 91 1.640 1
69 1 12 1 "RMS(OBS, PRED)" CB 85 1.515 1
70 1 12 1 "RMS(OBS, PRED)" H 83 0.414 1
71 1 12 1 "RMS(OBS, PRED)" HA 97 0.330 1
72 1 12 1 "RMS(OBS, PRED)" N 82 3.054 1
73 1 13 1 "RMS(OBS, PRED)" C 83 1.059 1
74 1 13 1 "RMS(OBS, PRED)" CA 91 1.415 1
75 1 13 1 "RMS(OBS, PRED)" CB 85 1.142 1
76 1 13 1 "RMS(OBS, PRED)" H 83 0.486 1
77 1 13 1 "RMS(OBS, PRED)" HA 97 0.327 1
78 1 13 1 "RMS(OBS, PRED)" N 82 2.421 1
79 1 14 1 "RMS(OBS, PRED)" C 83 0.994 1
80 1 14 1 "RMS(OBS, PRED)" CA 91 1.336 1
81 1 14 1 "RMS(OBS, PRED)" CB 85 1.233 1
82 1 14 1 "RMS(OBS, PRED)" H 83 0.453 1
83 1 14 1 "RMS(OBS, PRED)" HA 97 0.296 1
84 1 14 1 "RMS(OBS, PRED)" N 82 2.718 1
85 1 15 1 "RMS(OBS, PRED)" C 83 0.960 1
86 1 15 1 "RMS(OBS, PRED)" CA 91 1.461 1
87 1 15 1 "RMS(OBS, PRED)" CB 85 1.470 1
88 1 15 1 "RMS(OBS, PRED)" H 83 0.513 1
89 1 15 1 "RMS(OBS, PRED)" HA 97 0.349 1
90 1 15 1 "RMS(OBS, PRED)" N 82 3.047 1
91 1 16 1 "RMS(OBS, PRED)" C 83 0.990 1
92 1 16 1 "RMS(OBS, PRED)" CA 91 1.368 1
93 1 16 1 "RMS(OBS, PRED)" CB 85 1.094 1
94 1 16 1 "RMS(OBS, PRED)" H 83 0.437 1
95 1 16 1 "RMS(OBS, PRED)" HA 97 0.326 1
96 1 16 1 "RMS(OBS, PRED)" N 82 3.015 1
97 1 17 1 "RMS(OBS, PRED)" C 83 1.067 1
98 1 17 1 "RMS(OBS, PRED)" CA 91 1.690 1
99 1 17 1 "RMS(OBS, PRED)" CB 85 1.400 1
100 1 17 1 "RMS(OBS, PRED)" H 83 0.486 1
101 1 17 1 "RMS(OBS, PRED)" HA 97 0.322 1
102 1 17 1 "RMS(OBS, PRED)" N 82 2.722 1
103 1 18 1 "RMS(OBS, PRED)" C 83 0.954 1
104 1 18 1 "RMS(OBS, PRED)" CA 91 1.416 1
105 1 18 1 "RMS(OBS, PRED)" CB 85 1.314 1
106 1 18 1 "RMS(OBS, PRED)" H 83 0.457 1
107 1 18 1 "RMS(OBS, PRED)" HA 97 0.325 1
108 1 18 1 "RMS(OBS, PRED)" N 82 3.196 1
109 1 19 1 "RMS(OBS, PRED)" C 83 0.985 1
110 1 19 1 "RMS(OBS, PRED)" CA 91 1.349 1
111 1 19 1 "RMS(OBS, PRED)" CB 85 1.323 1
112 1 19 1 "RMS(OBS, PRED)" H 83 0.458 1
113 1 19 1 "RMS(OBS, PRED)" HA 97 0.311 1
114 1 19 1 "RMS(OBS, PRED)" N 82 3.225 1
115 1 20 1 "RMS(OBS, PRED)" C 83 1.044 1
116 1 20 1 "RMS(OBS, PRED)" CA 91 1.287 1
117 1 20 1 "RMS(OBS, PRED)" CB 85 1.282 1
118 1 20 1 "RMS(OBS, PRED)" H 83 0.466 1
119 1 20 1 "RMS(OBS, PRED)" HA 97 0.267 1
120 1 20 1 "RMS(OBS, PRED)" N 82 3.139 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 4.360 4.331 0.029 2
1 6 . 1 1 A 2 2 THR C C 2 174.300 174.245 0.055 2
1 7 . 1 1 A 2 2 THR CA C 2 61.900 62.964 -1.064 2
1 8 . 1 1 A 2 2 THR CB C 2 69.900 68.853 1.047 2
1 10 . 1 1 A 3 3 LYS H H 3 8.520 8.356 0.164 2
1 11 . 1 1 A 3 3 LYS HA H 3 4.320 4.567 -0.247 2
1 20 . 1 1 A 3 3 LYS C C 3 176.100 175.978 0.122 2
1 21 . 1 1 A 3 3 LYS CA C 3 56.400 55.865 0.535 2
1 22 . 1 1 A 3 3 LYS CB C 3 33.000 33.577 -0.577 2
1 26 . 1 1 A 3 3 LYS N N 3 124.100 123.100 1.000 2
1 27 . 1 1 A 4 4 ASN H H 4 8.560 8.348 0.212 2
1 28 . 1 1 A 4 4 ASN HA H 4 4.760 4.902 -0.142 2
1 33 . 1 1 A 4 4 ASN C C 4 175.200 174.695 0.505 2
1 34 . 1 1 A 4 4 ASN CA C 4 53.300 52.886 0.414 2
1 35 . 1 1 A 4 4 ASN CB C 4 38.900 39.287 -0.387 2
1 36 . 1 1 A 4 4 ASN N N 4 120.200 119.612 0.589 2
1 38 . 1 1 A 5 5 THR H H 5 8.130 8.409 -0.279 2
1 39 . 1 1 A 5 5 THR HA H 5 4.310 4.371 -0.061 2
1 44 . 1 1 A 5 5 THR C C 5 173.900 174.173 -0.273 2
1 45 . 1 1 A 5 5 THR CA C 5 61.800 62.604 -0.804 2
1 46 . 1 1 A 5 5 THR CB C 5 69.500 68.952 0.548 2
1 48 . 1 1 A 5 5 THR N N 5 114.900 117.557 -2.657 2
1 49 . 1 1 A 6 6 ARG H H 6 8.160 8.334 -0.174 2
1 50 . 1 1 A 6 6 ARG HA H 6 4.300 4.571 -0.271 2
1 57 . 1 1 A 6 6 ARG C C 6 176.300 175.112 1.188 2
1 58 . 1 1 A 6 6 ARG CA C 6 56.300 55.472 0.828 2
1 59 . 1 1 A 6 6 ARG CB C 6 30.700 31.902 -1.202 2
1 62 . 1 1 A 6 6 ARG N N 6 123.600 124.151 -0.551 2
1 63 . 1 1 A 7 7 PHE H H 7 8.460 8.528 -0.068 2
1 64 . 1 1 A 7 7 PHE HA H 7 4.760 4.783 -0.023 2
1 72 . 1 1 A 7 7 PHE C C 7 175.000 175.302 -0.302 2
1 73 . 1 1 A 7 7 PHE CA C 7 56.700 57.439 -0.739 2
1 74 . 1 1 A 7 7 PHE CB C 7 40.300 39.930 0.370 2
1 80 . 1 1 A 7 7 PHE N N 7 121.500 121.275 0.224 2
1 81 . 1 1 A 8 8 SER H H 8 8.520 8.727 -0.207 2
1 82 . 1 1 A 8 8 SER HA H 8 4.600 4.620 -0.020 2
1 85 . 1 1 A 8 8 SER CA C 8 56.700 56.659 0.041 2
1 86 . 1 1 A 8 8 SER CB C 8 62.600 63.055 -0.455 2
1 87 . 1 1 A 8 8 SER N N 8 121.500 119.552 1.948 2
1 88 . 1 1 A 9 9 PRO HA H 9 3.920 4.231 -0.311 2
1 95 . 1 1 A 9 9 PRO C C 9 178.500 178.368 0.132 2
1 96 . 1 1 A 9 9 PRO CA C 9 65.800 65.383 0.417 2
1 97 . 1 1 A 9 9 PRO CB C 9 31.500 31.861 -0.361 2
1 100 . 1 1 A 10 10 GLU H H 10 8.610 8.237 0.373 2
1 101 . 1 1 A 10 10 GLU HA H 10 3.990 4.048 -0.058 2
1 106 . 1 1 A 10 10 GLU C C 10 179.100 179.193 -0.093 2
1 107 . 1 1 A 10 10 GLU CA C 10 60.000 59.367 0.633 2
1 108 . 1 1 A 10 10 GLU CB C 10 28.800 29.241 -0.441 2
1 110 . 1 1 A 10 10 GLU N N 10 116.600 117.789 -1.189 2
1 111 . 1 1 A 11 11 VAL H H 11 7.510 7.924 -0.414 2
1 112 . 1 1 A 11 11 VAL HA H 11 3.610 3.447 0.163 2
1 120 . 1 1 A 11 11 VAL C C 11 177.700 177.795 -0.095 2
1 121 . 1 1 A 11 11 VAL CA C 11 66.400 66.655 -0.255 2
1 122 . 1 1 A 11 11 VAL CB C 11 31.600 31.410 0.190 2
1 125 . 1 1 A 11 11 VAL N N 11 122.700 120.596 2.104 2
1 126 . 1 1 A 12 12 ARG H H 12 7.800 7.856 -0.056 2
1 127 . 1 1 A 12 12 ARG HA H 12 3.440 3.282 0.158 2
1 135 . 1 1 A 12 12 ARG C C 12 178.000 178.567 -0.567 2
1 136 . 1 1 A 12 12 ARG CA C 12 59.300 59.529 -0.229 2
1 137 . 1 1 A 12 12 ARG CB C 12 29.600 29.421 0.179 2
1 140 . 1 1 A 12 12 ARG N N 12 118.700 119.468 -0.768 2
1 142 . 1 1 A 13 13 GLN H H 13 8.050 7.985 0.065 2
1 143 . 1 1 A 13 13 GLN HA H 13 3.860 3.938 -0.079 2
1 150 . 1 1 A 13 13 GLN C C 13 178.800 178.424 0.376 2
1 151 . 1 1 A 13 13 GLN CA C 13 58.600 58.923 -0.323 2
1 152 . 1 1 A 13 13 GLN CB C 13 28.300 28.348 -0.048 2
1 154 . 1 1 A 13 13 GLN N N 13 116.100 118.575 -2.475 2
1 156 . 1 1 A 14 14 ARG H H 14 7.750 8.071 -0.321 2
1 157 . 1 1 A 14 14 ARG HA H 14 3.970 3.986 -0.016 2
1 164 . 1 1 A 14 14 ARG C C 14 177.900 178.351 -0.451 2
1 165 . 1 1 A 14 14 ARG CA C 14 59.100 59.075 0.025 2
1 166 . 1 1 A 14 14 ARG CB C 14 30.000 29.980 0.020 2
1 169 . 1 1 A 14 14 ARG N N 14 120.400 119.800 0.600 2
1 170 . 1 1 A 15 15 ALA H H 15 8.500 7.910 0.590 2
1 171 . 1 1 A 15 15 ALA HA H 15 4.040 4.065 -0.025 2
1 175 . 1 1 A 15 15 ALA C C 15 178.800 179.915 -1.115 2
1 176 . 1 1 A 15 15 ALA CA C 15 55.300 55.124 0.176 2
1 177 . 1 1 A 15 15 ALA CB C 15 19.700 18.630 1.070 2
1 178 . 1 1 A 15 15 ALA N N 15 122.200 122.037 0.163 2
1 179 . 1 1 A 16 16 VAL H H 16 8.230 7.973 0.257 2
1 180 . 1 1 A 16 16 VAL HA H 16 3.360 3.391 -0.031 2
1 188 . 1 1 A 16 16 VAL C C 16 177.700 177.932 -0.232 2
1 189 . 1 1 A 16 16 VAL CA C 16 67.100 66.912 0.188 2
1 190 . 1 1 A 16 16 VAL CB C 16 31.600 31.343 0.257 2
1 193 . 1 1 A 16 16 VAL N N 16 116.500 118.180 -1.680 2
1 194 . 1 1 A 17 17 ARG H H 17 7.900 8.087 -0.187 2
1 195 . 1 1 A 17 17 ARG HA H 17 3.830 3.879 -0.049 2
1 202 . 1 1 A 17 17 ARG C C 17 178.000 178.573 -0.573 2
1 203 . 1 1 A 17 17 ARG CA C 17 59.700 59.651 0.049 2
1 204 . 1 1 A 17 17 ARG CB C 17 29.200 29.870 -0.670 2
1 207 . 1 1 A 17 17 ARG N N 17 119.000 119.954 -0.954 2
1 208 . 1 1 A 18 18 MET H H 18 8.210 8.220 -0.010 2
1 209 . 1 1 A 18 18 MET HA H 18 4.090 4.188 -0.098 2
1 217 . 1 1 A 18 18 MET C C 18 179.400 178.438 0.962 2
1 218 . 1 1 A 18 18 MET CA C 18 59.500 58.416 1.084 2
1 219 . 1 1 A 18 18 MET CB C 18 33.600 32.376 1.224 2
1 222 . 1 1 A 18 18 MET N N 18 117.300 118.823 -1.523 2
1 223 . 1 1 A 19 19 VAL H H 19 7.790 8.064 -0.274 2
1 224 . 1 1 A 19 19 VAL HA H 19 3.390 3.612 -0.222 2
1 232 . 1 1 A 19 19 VAL C C 19 177.200 178.155 -0.955 2
1 233 . 1 1 A 19 19 VAL CA C 19 66.100 66.803 -0.703 2
1 234 . 1 1 A 19 19 VAL CB C 19 31.600 31.462 0.138 2
1 237 . 1 1 A 19 19 VAL N N 19 119.900 119.661 0.239 2
1 238 . 1 1 A 20 20 LEU H H 20 8.280 8.219 0.061 2
1 239 . 1 1 A 20 20 LEU HA H 20 4.070 3.901 0.169 2
1 249 . 1 1 A 20 20 LEU C C 20 180.600 179.331 1.269 2
1 250 . 1 1 A 20 20 LEU CA C 20 57.900 58.218 -0.318 2
1 251 . 1 1 A 20 20 LEU CB C 20 40.800 41.108 -0.308 2
1 255 . 1 1 A 20 20 LEU N N 20 118.400 119.293 -0.893 2
1 256 . 1 1 A 21 21 GLU H H 21 8.690 8.618 0.072 2
1 257 . 1 1 A 21 21 GLU HA H 21 4.230 4.004 0.226 2
1 262 . 1 1 A 21 21 GLU C C 21 178.200 178.779 -0.579 2
1 263 . 1 1 A 21 21 GLU CA C 21 57.900 59.687 -1.787 2
1 264 . 1 1 A 21 21 GLU CB C 21 29.700 29.301 0.399 2
1 266 . 1 1 A 21 21 GLU N N 21 115.900 119.696 -3.796 2
1 267 . 1 1 A 22 22 SER H H 22 7.580 8.087 -0.507 2
1 268 . 1 1 A 22 22 SER HA H 22 4.790 4.363 0.427 2
1 271 . 1 1 A 22 22 SER C C 22 175.200 176.452 -1.252 2
1 272 . 1 1 A 22 22 SER CA C 22 59.500 60.968 -1.468 2
1 273 . 1 1 A 22 22 SER CB C 22 64.500 63.269 1.231 2
1 274 . 1 1 A 22 22 SER N N 22 113.000 116.547 -3.547 2
1 275 . 1 1 A 23 23 GLN H H 23 7.780 8.242 -0.462 2
1 276 . 1 1 A 23 23 GLN HA H 23 4.800 4.146 0.654 2
1 283 . 1 1 A 23 23 GLN C C 23 177.100 178.304 -1.204 2
1 284 . 1 1 A 23 23 GLN CA C 23 57.800 59.295 -1.495 2
1 285 . 1 1 A 23 23 GLN CB C 23 28.100 28.439 -0.339 2
1 287 . 1 1 A 23 23 GLN N N 23 119.900 122.038 -2.138 2
1 289 . 1 1 A 24 24 GLY H H 24 8.680 7.957 0.723 2
1 290 . 1 1 A 24 24 GLY HA2 H 24 3.860 3.891 -0.031 2
1 291 . 1 1 A 24 24 GLY HA3 H 24 4.110 3.897 0.213 2
1 292 . 1 1 A 24 24 GLY C C 24 175.100 175.255 -0.155 2
1 293 . 1 1 A 24 24 GLY CA C 24 45.900 46.438 -0.538 2
1 294 . 1 1 A 24 24 GLY N N 24 108.500 107.069 1.431 2
1 295 . 1 1 A 25 25 GLU H H 25 8.110 7.911 0.199 2
1 296 . 1 1 A 25 25 GLU HA H 25 4.210 4.333 -0.123 2
1 301 . 1 1 A 25 25 GLU C C 25 175.400 176.257 -0.857 2
1 302 . 1 1 A 25 25 GLU CA C 25 56.100 57.877 -1.777 2
1 303 . 1 1 A 25 25 GLU CB C 25 29.700 31.163 -1.463 2
1 305 . 1 1 A 25 25 GLU N N 25 118.200 119.443 -1.243 2
1 306 . 1 1 A 26 26 TYR H H 26 7.690 8.004 -0.314 2
1 307 . 1 1 A 26 26 TYR HA H 26 4.690 4.662 0.028 2
1 314 . 1 1 A 26 26 TYR C C 26 175.800 175.989 -0.189 2
1 315 . 1 1 A 26 26 TYR CA C 26 57.000 58.303 -1.303 2
1 316 . 1 1 A 26 26 TYR CB C 26 42.200 39.455 2.745 2
1 321 . 1 1 A 26 26 TYR N N 26 117.700 118.230 -0.530 2
1 322 . 1 1 A 27 27 ASP H H 27 8.850 8.950 -0.100 2
1 323 . 1 1 A 27 27 ASP HA H 27 4.520 4.663 -0.143 2
1 326 . 1 1 A 27 27 ASP C C 27 175.900 176.072 -0.172 2
1 327 . 1 1 A 27 27 ASP CA C 27 55.400 55.487 -0.087 2
1 328 . 1 1 A 27 27 ASP CB C 27 41.200 41.714 -0.514 2
1 329 . 1 1 A 27 27 ASP N N 27 117.500 122.268 -4.768 2
1 330 . 1 1 A 28 28 SER H H 28 7.550 7.921 -0.371 2
1 331 . 1 1 A 28 28 SER HA H 28 4.740 4.746 -0.006 2
1 334 . 1 1 A 28 28 SER CA C 28 57.200 57.584 -0.385 2
1 335 . 1 1 A 28 28 SER CB C 28 65.800 64.728 1.073 2
1 336 . 1 1 A 28 28 SER N N 28 109.000 113.896 -4.896 2
1 337 . 1 1 A 29 29 GLN HA H 29 3.950 3.966 -0.016 2
1 344 . 1 1 A 29 29 GLN C C 29 178.100 177.451 0.649 2
1 345 . 1 1 A 29 29 GLN CA C 29 60.200 58.705 1.495 2
1 346 . 1 1 A 29 29 GLN CB C 29 29.900 28.232 1.668 2
1 349 . 1 1 A 30 30 TRP H H 30 9.010 8.058 0.952 2
1 350 . 1 1 A 30 30 TRP HA H 30 4.720 4.381 0.339 2
1 359 . 1 1 A 30 30 TRP C C 30 177.100 178.708 -1.608 2
1 360 . 1 1 A 30 30 TRP CA C 30 59.300 60.242 -0.942 2
1 361 . 1 1 A 30 30 TRP CB C 30 30.000 28.992 1.008 2
1 367 . 1 1 A 30 30 TRP N N 30 121.400 120.904 0.496 2
1 369 . 1 1 A 31 31 ALA H H 31 8.360 8.056 0.304 2
1 370 . 1 1 A 31 31 ALA HA H 31 3.790 3.947 -0.157 2
1 374 . 1 1 A 31 31 ALA C C 31 180.300 179.628 0.672 2
1 375 . 1 1 A 31 31 ALA CA C 31 55.300 54.998 0.302 2
1 376 . 1 1 A 31 31 ALA CB C 31 18.200 18.021 0.179 2
1 377 . 1 1 A 31 31 ALA N N 31 121.600 122.245 -0.645 2
1 378 . 1 1 A 32 32 THR H H 32 7.420 7.543 -0.123 2
1 379 . 1 1 A 32 32 THR HA H 32 2.620 3.610 -0.990 2
1 384 . 1 1 A 32 32 THR C C 32 176.700 176.430 0.270 2
1 385 . 1 1 A 32 32 THR CA C 32 66.200 66.486 -0.286 2
1 386 . 1 1 A 32 32 THR CB C 32 67.800 68.531 -0.731 2
1 388 . 1 1 A 32 32 THR N N 32 115.700 113.535 2.165 2
1 389 . 1 1 A 33 33 ILE H H 33 8.490 8.058 0.432 2
1 390 . 1 1 A 33 33 ILE HA H 33 3.180 3.564 -0.384 2
1 400 . 1 1 A 33 33 ILE C C 33 177.300 177.785 -0.485 2
1 401 . 1 1 A 33 33 ILE CA C 33 65.900 65.213 0.687 2
1 402 . 1 1 A 33 33 ILE CB C 33 37.700 37.665 0.035 2
1 406 . 1 1 A 33 33 ILE N N 33 124.100 121.139 2.961 2
1 407 . 1 1 A 34 34 CYS H H 34 8.060 8.091 -0.031 2
1 408 . 1 1 A 34 34 CYS HA H 34 3.610 4.217 -0.607 2
1 411 . 1 1 A 34 34 CYS C C 34 175.800 175.996 -0.196 2
1 412 . 1 1 A 34 34 CYS CA C 34 63.800 61.367 2.433 2
1 413 . 1 1 A 34 34 CYS CB C 34 26.400 26.860 -0.460 2
1 414 . 1 1 A 34 34 CYS N N 34 115.900 119.495 -3.595 2
1 415 . 1 1 A 35 35 SER H H 35 7.150 7.636 -0.486 2
1 416 . 1 1 A 35 35 SER HA H 35 4.260 4.420 -0.160 2
1 419 . 1 1 A 35 35 SER C C 35 175.500 175.833 -0.333 2
1 420 . 1 1 A 35 35 SER CA C 35 60.200 60.784 -0.584 2
1 421 . 1 1 A 35 35 SER CB C 35 63.600 63.539 0.061 2
1 422 . 1 1 A 35 35 SER N N 35 113.600 115.654 -2.054 2
1 423 . 1 1 A 36 36 ILE H H 36 7.650 7.724 -0.074 2
1 424 . 1 1 A 36 36 ILE HA H 36 3.850 3.884 -0.034 2
1 434 . 1 1 A 36 36 ILE C C 36 176.900 177.693 -0.793 2
1 435 . 1 1 A 36 36 ILE CA C 36 61.700 63.849 -2.149 2
1 436 . 1 1 A 36 36 ILE CB C 36 37.700 37.418 0.282 2
1 440 . 1 1 A 36 36 ILE N N 36 120.700 121.333 -0.633 2
1 441 . 1 1 A 37 37 ALA H H 37 8.200 8.318 -0.118 2
1 442 . 1 1 A 37 37 ALA HA H 37 3.860 4.006 -0.146 2
1 446 . 1 1 A 37 37 ALA CA C 37 57.400 57.195 0.205 2
1 447 . 1 1 A 37 37 ALA CB C 37 14.900 16.951 -2.051 2
1 448 . 1 1 A 37 37 ALA N N 37 122.200 124.022 -1.822 2
1 449 . 1 1 A 38 38 PRO HA H 38 4.470 4.377 0.093 2
1 456 . 1 1 A 38 38 PRO C C 38 178.800 178.649 0.151 2
1 457 . 1 1 A 38 38 PRO CA C 38 65.600 64.853 0.747 2
1 458 . 1 1 A 38 38 PRO CB C 38 31.000 31.377 -0.377 2
1 461 . 1 1 A 39 39 LYS H H 39 7.680 7.937 -0.257 2
1 462 . 1 1 A 39 39 LYS HA H 39 4.150 4.098 0.052 2
1 471 . 1 1 A 39 39 LYS C C 39 177.800 178.837 -1.037 2
1 472 . 1 1 A 39 39 LYS CA C 39 58.000 59.263 -1.263 2
1 473 . 1 1 A 39 39 LYS CB C 39 31.800 32.257 -0.457 2
1 477 . 1 1 A 39 39 LYS N N 39 115.500 117.962 -2.462 2
1 478 . 1 1 A 40 40 ILE H H 40 7.540 7.593 -0.053 2
1 479 . 1 1 A 40 40 ILE HA H 40 4.130 4.067 0.063 2
1 489 . 1 1 A 40 40 ILE C C 40 176.500 176.390 0.110 2
1 490 . 1 1 A 40 40 ILE CA C 40 59.600 62.785 -3.185 2
1 491 . 1 1 A 40 40 ILE CB C 40 37.300 38.714 -1.414 2
1 495 . 1 1 A 40 40 ILE N N 40 117.500 117.362 0.138 2
1 496 . 1 1 A 41 41 GLY H H 41 8.430 8.464 -0.034 2
1 497 . 1 1 A 41 41 GLY HA2 H 41 4.550 4.040 0.510 2
1 498 . 1 1 A 41 41 GLY HA3 H 41 3.790 4.055 -0.265 2
1 499 . 1 1 A 41 41 GLY C C 41 173.900 173.835 0.065 2
1 500 . 1 1 A 41 41 GLY CA C 41 44.900 45.842 -0.942 2
1 501 . 1 1 A 41 41 GLY N N 41 105.100 108.476 -3.376 2
1 502 . 1 1 A 42 42 CYS H H 42 7.360 7.739 -0.379 2
1 503 . 1 1 A 42 42 CYS HA H 42 5.220 5.002 0.218 2
1 506 . 1 1 A 42 42 CYS C C 42 173.100 173.362 -0.262 2
1 507 . 1 1 A 42 42 CYS CA C 42 53.300 57.444 -4.144 2
1 508 . 1 1 A 42 42 CYS CB C 42 31.700 31.408 0.292 2
1 509 . 1 1 A 42 42 CYS N N 42 115.400 116.955 -1.555 2
1 510 . 1 1 A 43 43 THR H H 43 8.550 8.525 0.025 2
1 511 . 1 1 A 43 43 THR HA H 43 4.560 4.704 -0.144 2
1 516 . 1 1 A 43 43 THR CA C 43 59.800 60.124 -0.324 2
1 517 . 1 1 A 43 43 THR CB C 43 68.500 69.074 -0.574 2
1 519 . 1 1 A 43 43 THR N N 43 111.500 114.115 -2.615 2
1 520 . 1 1 A 44 44 PRO HA H 44 3.680 4.182 -0.502 2
1 527 . 1 1 A 44 44 PRO C C 44 177.300 178.565 -1.265 2
1 528 . 1 1 A 44 44 PRO CA C 44 65.200 65.534 -0.334 2
1 529 . 1 1 A 44 44 PRO CB C 44 32.400 31.802 0.598 2
1 532 . 1 1 A 45 45 GLU H H 45 8.900 8.460 0.440 2
1 533 . 1 1 A 45 45 GLU HA H 45 3.990 4.035 -0.045 2
1 538 . 1 1 A 45 45 GLU C C 45 179.000 179.104 -0.104 2
1 539 . 1 1 A 45 45 GLU CA C 45 61.300 59.310 1.990 2
1 540 . 1 1 A 45 45 GLU CB C 45 28.200 29.114 -0.914 2
1 542 . 1 1 A 45 45 GLU N N 45 117.100 117.802 -0.702 2
1 543 . 1 1 A 46 46 THR H H 46 7.680 7.690 -0.010 2
1 544 . 1 1 A 46 46 THR HA H 46 3.560 3.676 -0.116 2
1 549 . 1 1 A 46 46 THR C C 46 173.800 175.910 -2.110 2
1 550 . 1 1 A 46 46 THR CA C 46 66.300 66.667 -0.367 2
1 551 . 1 1 A 46 46 THR CB C 46 68.000 67.375 0.625 2
1 553 . 1 1 A 46 46 THR N N 46 118.800 117.515 1.285 2
1 554 . 1 1 A 47 47 LEU H H 47 7.040 7.848 -0.808 2
1 555 . 1 1 A 47 47 LEU HA H 47 3.170 3.763 -0.593 2
1 565 . 1 1 A 47 47 LEU C C 47 177.500 178.633 -1.133 2
1 566 . 1 1 A 47 47 LEU CA C 47 56.800 57.871 -1.071 2
1 567 . 1 1 A 47 47 LEU CB C 47 40.500 41.533 -1.033 2
1 571 . 1 1 A 47 47 LEU N N 47 120.600 121.117 -0.517 2
1 572 . 1 1 A 48 48 ARG H H 48 8.430 7.899 0.531 2
1 573 . 1 1 A 48 48 ARG HA H 48 3.880 3.934 -0.054 2
1 580 . 1 1 A 48 48 ARG C C 48 177.400 178.643 -1.243 2
1 581 . 1 1 A 48 48 ARG CA C 48 60.200 59.063 1.137 2
1 582 . 1 1 A 48 48 ARG CB C 48 30.500 29.682 0.818 2
1 585 . 1 1 A 48 48 ARG N N 48 118.200 119.276 -1.076 2
1 586 . 1 1 A 49 49 VAL H H 49 7.400 7.563 -0.163 2
1 587 . 1 1 A 49 49 VAL HA H 49 3.630 3.588 0.042 2
1 595 . 1 1 A 49 49 VAL C C 49 178.900 178.204 0.696 2
1 596 . 1 1 A 49 49 VAL CA C 49 67.200 66.372 0.828 2
1 597 . 1 1 A 49 49 VAL CB C 49 30.700 31.475 -0.775 2
1 600 . 1 1 A 49 49 VAL N N 49 120.300 118.925 1.375 2
1 601 . 1 1 A 50 50 TRP H H 50 7.850 7.840 0.010 2
1 602 . 1 1 A 50 50 TRP HA H 50 4.740 4.421 0.319 2
1 611 . 1 1 A 50 50 TRP C C 50 180.400 179.033 1.367 2
1 612 . 1 1 A 50 50 TRP CA C 50 57.800 60.114 -2.314 2
1 613 . 1 1 A 50 50 TRP CB C 50 28.700 29.370 -0.671 2
1 619 . 1 1 A 50 50 TRP N N 50 120.300 119.880 0.420 2
1 621 . 1 1 A 51 51 VAL H H 51 8.820 8.288 0.532 2
1 622 . 1 1 A 51 51 VAL HA H 51 3.690 3.691 -0.001 2
1 630 . 1 1 A 51 51 VAL C C 51 177.700 178.082 -0.382 2
1 631 . 1 1 A 51 51 VAL CA C 51 66.800 66.759 0.041 2
1 632 . 1 1 A 51 51 VAL CB C 51 32.000 31.441 0.559 2
1 635 . 1 1 A 51 51 VAL N N 51 121.300 120.001 1.299 2
1 636 . 1 1 A 52 52 ARG H H 52 8.740 8.267 0.473 2
1 637 . 1 1 A 52 52 ARG HA H 52 4.260 4.015 0.245 2
1 644 . 1 1 A 52 52 ARG C C 52 179.500 178.777 0.723 2
1 645 . 1 1 A 52 52 ARG CA C 52 58.900 59.758 -0.858 2
1 646 . 1 1 A 52 52 ARG CB C 52 29.900 29.844 0.056 2
1 649 . 1 1 A 52 52 ARG N N 52 120.200 119.703 0.497 2
1 650 . 1 1 A 53 53 GLN H H 53 8.540 8.286 0.254 2
1 651 . 1 1 A 53 53 GLN HA H 53 4.050 4.112 -0.062 2
1 658 . 1 1 A 53 53 GLN C C 53 177.600 178.540 -0.940 2
1 659 . 1 1 A 53 53 GLN CA C 53 58.700 58.863 -0.163 2
1 660 . 1 1 A 53 53 GLN CB C 53 28.100 28.531 -0.431 2
1 662 . 1 1 A 53 53 GLN N N 53 119.100 118.976 0.124 2
1 664 . 1 1 A 54 54 HIS H H 54 8.010 8.214 -0.204 2
1 665 . 1 1 A 54 54 HIS HA H 54 4.410 4.301 0.109 2
1 668 . 1 1 A 54 54 HIS C C 54 177.800 177.343 0.457 2
1 669 . 1 1 A 54 54 HIS CA C 54 59.700 59.793 -0.093 2
1 670 . 1 1 A 54 54 HIS CB C 54 30.600 29.717 0.883 2
1 671 . 1 1 A 54 54 HIS N N 54 119.300 119.883 -0.583 2
1 672 . 1 1 A 55 55 GLU H H 55 8.460 8.304 0.156 2
1 673 . 1 1 A 55 55 GLU HA H 55 3.940 3.923 0.017 2
1 678 . 1 1 A 55 55 GLU C C 55 178.400 179.122 -0.722 2
1 679 . 1 1 A 55 55 GLU CA C 55 58.800 59.588 -0.788 2
1 680 . 1 1 A 55 55 GLU CB C 55 29.800 29.377 0.423 2
1 682 . 1 1 A 55 55 GLU N N 55 119.700 119.124 0.576 2
1 683 . 1 1 A 56 56 ARG H H 56 7.990 7.944 0.046 2
1 684 . 1 1 A 56 56 ARG HA H 56 4.160 4.114 0.046 2
1 691 . 1 1 A 56 56 ARG C C 56 177.800 178.271 -0.471 2
1 692 . 1 1 A 56 56 ARG CA C 56 58.100 58.717 -0.617 2
1 693 . 1 1 A 56 56 ARG CB C 56 30.100 29.885 0.215 2
1 696 . 1 1 A 56 56 ARG N N 56 119.200 120.207 -1.007 2
1 697 . 1 1 A 57 57 ASP H H 57 8.300 8.042 0.258 2
1 698 . 1 1 A 57 57 ASP HA H 57 4.550 4.402 0.148 2
1 701 . 1 1 A 57 57 ASP C C 57 177.400 177.687 -0.287 2
1 702 . 1 1 A 57 57 ASP CA C 57 55.800 56.919 -1.119 2
1 703 . 1 1 A 57 57 ASP CB C 57 40.800 41.113 -0.313 2
1 704 . 1 1 A 57 57 ASP N N 57 120.000 119.624 0.376 2
1 705 . 1 1 A 58 58 THR H H 58 7.890 7.710 0.180 2
1 706 . 1 1 A 58 58 THR HA H 58 4.310 4.238 0.072 2
1 711 . 1 1 A 58 58 THR C C 58 175.500 175.203 0.297 2
1 712 . 1 1 A 58 58 THR CA C 58 62.200 63.612 -1.412 2
1 713 . 1 1 A 58 58 THR CB C 58 69.800 68.546 1.254 2
1 715 . 1 1 A 58 58 THR N N 58 111.300 113.031 -1.731 2
1 716 . 1 1 A 59 59 GLY H H 59 8.070 8.070 -0.000 2
1 717 . 1 1 A 59 59 GLY HA2 H 59 4.010 3.974 0.036 2
1 718 . 1 1 A 59 59 GLY HA3 H 59 4.010 3.977 0.033 2
1 719 . 1 1 A 59 59 GLY C C 59 174.700 174.297 0.403 2
1 720 . 1 1 A 59 59 GLY CA C 59 45.600 45.813 -0.213 2
1 721 . 1 1 A 59 59 GLY N N 59 110.600 110.216 0.384 2
1 722 . 1 1 A 60 60 GLY H H 60 8.260 8.410 -0.150 2
1 723 . 1 1 A 60 60 GLY HA2 H 60 3.990 4.034 -0.044 2
1 724 . 1 1 A 60 60 GLY HA3 H 60 3.990 4.036 -0.046 2
1 725 . 1 1 A 60 60 GLY C C 60 173.900 173.550 0.350 2
1 726 . 1 1 A 60 60 GLY CA C 60 45.100 45.831 -0.731 2
1 727 . 1 1 A 60 60 GLY N N 60 108.700 109.557 -0.857 2
1 728 . 1 1 A 61 61 ASP H H 61 8.320 8.352 -0.032 2
1 729 . 1 1 A 61 61 ASP HA H 61 4.650 4.818 -0.168 2
1 732 . 1 1 A 61 61 ASP C C 61 176.200 175.369 0.831 2
1 733 . 1 1 A 61 61 ASP CA C 61 54.200 54.577 -0.377 2
1 734 . 1 1 A 61 61 ASP CB C 61 41.300 42.224 -0.924 2
1 735 . 1 1 A 61 61 ASP N N 61 120.500 121.856 -1.356 2
1 736 . 1 1 A 62 62 ASP H H 62 8.400 8.408 -0.008 2
1 737 . 1 1 A 62 62 ASP HA H 62 4.600 4.708 -0.108 2
1 740 . 1 1 A 62 62 ASP C C 62 177.100 175.976 1.124 2
1 741 . 1 1 A 62 62 ASP CA C 62 54.200 54.158 0.042 2
1 742 . 1 1 A 62 62 ASP CB C 62 41.100 41.710 -0.610 2
1 743 . 1 1 A 62 62 ASP N N 62 121.100 120.734 0.367 2
1 744 . 1 1 A 63 63 GLY H H 63 8.500 8.315 0.185 2
1 745 . 1 1 A 63 63 GLY HA2 H 63 3.950 4.028 -0.078 2
1 746 . 1 1 A 63 63 GLY HA3 H 63 3.950 4.029 -0.079 2
1 747 . 1 1 A 63 63 GLY C C 63 175.000 174.389 0.611 2
1 748 . 1 1 A 63 63 GLY CA C 63 45.700 45.585 0.115 2
1 749 . 1 1 A 63 63 GLY N N 63 109.400 109.895 -0.495 2
1 750 . 1 1 A 64 64 GLY H H 64 8.360 8.350 0.010 2
1 751 . 1 1 A 64 64 GLY HA2 H 64 3.950 4.045 -0.095 2
1 752 . 1 1 A 64 64 GLY HA3 H 64 3.950 4.045 -0.095 2
1 753 . 1 1 A 64 64 GLY C C 64 174.300 173.955 0.345 2
1 754 . 1 1 A 64 64 GLY CA C 64 45.300 45.743 -0.443 2
1 755 . 1 1 A 64 64 GLY N N 64 108.700 109.049 -0.349 2
1 756 . 1 1 A 65 65 LEU H H 65 8.020 8.234 -0.214 2
1 757 . 1 1 A 65 65 LEU HA H 65 4.460 4.420 0.040 2
1 767 . 1 1 A 65 65 LEU C C 65 178.000 176.681 1.319 2
1 768 . 1 1 A 65 65 LEU CA C 65 55.200 55.020 0.180 2
1 769 . 1 1 A 65 65 LEU CB C 65 42.700 42.182 0.518 2
1 773 . 1 1 A 65 65 LEU N N 65 121.300 122.752 -1.452 2
1 774 . 1 1 A 66 66 THR H H 66 8.470 8.273 0.197 2
1 775 . 1 1 A 66 66 THR HA H 66 4.440 4.444 -0.004 2
1 780 . 1 1 A 66 66 THR C C 66 175.200 174.315 0.884 2
1 781 . 1 1 A 66 66 THR CA C 66 61.600 62.412 -0.812 2
1 782 . 1 1 A 66 66 THR CB C 66 70.200 69.079 1.121 2
1 784 . 1 1 A 66 66 THR N N 66 114.300 116.251 -1.951 2
1 785 . 1 1 A 67 67 THR H H 67 8.370 8.267 0.103 2
1 786 . 1 1 A 67 67 THR HA H 67 4.110 4.410 -0.300 2
1 791 . 1 1 A 67 67 THR C C 67 175.300 173.997 1.303 2
1 792 . 1 1 A 67 67 THR CA C 67 63.900 62.388 1.512 2
1 793 . 1 1 A 67 67 THR CB C 67 69.100 68.852 0.249 2
1 795 . 1 1 A 67 67 THR N N 67 116.600 116.312 0.288 2
1 796 . 1 1 A 68 68 ALA H H 68 8.340 8.122 0.218 2
1 797 . 1 1 A 68 68 ALA HA H 68 4.220 4.432 -0.212 2
1 801 . 1 1 A 68 68 ALA C C 68 179.100 177.146 1.954 2
1 802 . 1 1 A 68 68 ALA CA C 68 53.800 52.190 1.610 2
1 803 . 1 1 A 68 68 ALA CB C 68 18.700 19.728 -1.028 2
1 804 . 1 1 A 68 68 ALA N N 68 124.500 125.356 -0.856 2
1 805 . 1 1 A 69 69 GLU H H 69 8.090 8.441 -0.351 2
1 806 . 1 1 A 69 69 GLU HA H 69 4.140 4.344 -0.204 2
1 811 . 1 1 A 69 69 GLU C C 69 177.800 176.536 1.264 2
1 812 . 1 1 A 69 69 GLU CA C 69 57.700 57.432 0.268 2
1 813 . 1 1 A 69 69 GLU CB C 69 30.100 30.407 -0.307 2
1 815 . 1 1 A 69 69 GLU N N 69 119.000 119.753 -0.753 2
1 816 . 1 1 A 70 70 ARG H H 70 8.300 8.349 -0.049 2
1 817 . 1 1 A 70 70 ARG HA H 70 4.140 4.358 -0.218 2
1 824 . 1 1 A 70 70 ARG C C 70 177.400 176.050 1.350 2
1 825 . 1 1 A 70 70 ARG CA C 70 57.500 56.925 0.575 2
1 826 . 1 1 A 70 70 ARG CB C 70 30.300 30.968 -0.668 2
1 829 . 1 1 A 70 70 ARG N N 70 120.400 122.071 -1.671 2
1 830 . 1 1 A 71 71 GLN H H 71 8.200 7.941 0.259 2
1 831 . 1 1 A 71 71 GLN HA H 71 4.200 4.429 -0.229 2
1 838 . 1 1 A 71 71 GLN C C 71 176.600 175.204 1.396 2
1 839 . 1 1 A 71 71 GLN CA C 71 56.800 55.937 0.863 2
1 840 . 1 1 A 71 71 GLN CB C 71 28.900 29.575 -0.675 2
1 842 . 1 1 A 71 71 GLN N N 71 119.500 119.638 -0.138 2
1 844 . 1 1 A 72 72 ARG H H 72 7.990 8.326 -0.336 2
1 845 . 1 1 A 72 72 ARG HA H 72 4.240 4.557 -0.317 2
1 847 . 1 1 A 72 72 ARG C C 72 176.600 175.954 0.646 2
1 848 . 1 1 A 72 72 ARG CA C 72 56.900 56.071 0.829 2
1 849 . 1 1 A 72 72 ARG CB C 72 30.500 30.957 -0.457 2
1 852 . 1 1 A 72 72 ARG N N 72 120.600 123.561 -2.961 2
1 853 . 1 1 A 73 73 LEU H H 73 7.980 8.442 -0.462 2
1 854 . 1 1 A 73 73 LEU HA H 73 4.280 4.527 -0.247 2
1 864 . 1 1 A 73 73 LEU C C 73 177.100 176.243 0.857 2
1 865 . 1 1 A 73 73 LEU CA C 73 55.300 54.676 0.624 2
1 866 . 1 1 A 73 73 LEU CB C 73 42.200 42.659 -0.459 2
1 870 . 1 1 A 73 73 LEU N N 73 121.400 124.052 -2.652 2
1 871 . 1 1 A 74 74 LYS H H 74 8.050 8.393 -0.343 2
1 872 . 1 1 A 74 74 LYS HA H 74 4.300 4.485 -0.185 2
1 881 . 1 1 A 74 74 LYS C C 74 176.100 175.836 0.264 2
1 882 . 1 1 A 74 74 LYS CA C 74 56.000 55.954 0.046 2
1 883 . 1 1 A 74 74 LYS CB C 74 33.000 33.029 -0.029 2
1 887 . 1 1 A 74 74 LYS N N 74 121.000 121.273 -0.273 2
1 888 . 1 1 A 75 75 GLU H H 75 8.360 8.242 0.118 2
1 889 . 1 1 A 75 75 GLU HA H 75 4.550 4.449 0.101 2
1 894 . 1 1 A 75 75 GLU CA C 75 54.400 55.160 -0.760 2
1 895 . 1 1 A 75 75 GLU CB C 75 29.600 29.783 -0.183 2
1 897 . 1 1 A 75 75 GLU N N 75 123.800 120.171 3.629 2
1 898 . 1 1 A 76 76 PRO HA H 76 4.410 4.534 -0.124 2
1 905 . 1 1 A 76 76 PRO C C 76 177.000 176.418 0.582 2
1 906 . 1 1 A 76 76 PRO CA C 76 63.300 63.678 -0.378 2
1 907 . 1 1 A 76 76 PRO CB C 76 32.000 32.190 -0.190 2
1 910 . 1 1 A 77 77 GLU H H 77 8.580 8.407 0.173 2
1 911 . 1 1 A 77 77 GLU HA H 77 4.220 4.457 -0.237 2
1 916 . 1 1 A 77 77 GLU C C 77 176.700 176.281 0.419 2
1 917 . 1 1 A 77 77 GLU CA C 77 56.800 56.306 0.494 2
1 918 . 1 1 A 77 77 GLU CB C 77 29.900 30.403 -0.503 2
1 920 . 1 1 A 77 77 GLU N N 77 120.800 119.560 1.240 2
1 921 . 1 1 A 78 78 ARG H H 78 8.330 8.402 -0.072 2
1 922 . 1 1 A 78 78 ARG HA H 78 4.270 4.479 -0.209 2
1 925 . 1 1 A 78 78 ARG C C 78 176.500 175.779 0.721 2
1 926 . 1 1 A 78 78 ARG CA C 78 56.700 56.544 0.156 2
1 927 . 1 1 A 78 78 ARG CB C 78 30.600 31.468 -0.868 2
1 930 . 1 1 A 78 78 ARG N N 78 122.000 122.198 -0.198 2
1 931 . 1 1 A 79 79 GLU H H 79 8.020 8.099 -0.079 2
1 932 . 1 1 A 79 79 GLU HA H 79 4.230 4.472 -0.242 2
1 937 . 1 1 A 79 79 GLU C C 79 176.100 176.033 0.067 2
1 938 . 1 1 A 79 79 GLU CA C 79 56.500 56.185 0.315 2
1 939 . 1 1 A 79 79 GLU CB C 79 30.200 30.338 -0.138 2
1 941 . 1 1 A 79 79 GLU N N 79 121.900 119.547 2.353 2
1 942 . 1 1 A 80 80 ASN H H 80 8.510 8.568 -0.058 2
1 943 . 1 1 A 80 80 ASN HA H 80 4.690 4.870 -0.180 2
1 948 . 1 1 A 80 80 ASN C C 80 175.400 174.985 0.415 2
1 949 . 1 1 A 80 80 ASN CA C 80 53.300 53.285 0.015 2
1 950 . 1 1 A 80 80 ASN CB C 80 38.500 38.530 -0.030 2
1 951 . 1 1 A 80 80 ASN N N 80 120.000 121.294 -1.294 2
1 953 . 1 1 A 81 81 ARG H H 81 8.400 8.195 0.205 2
1 954 . 1 1 A 81 81 ARG HA H 81 4.250 4.515 -0.265 2
1 961 . 1 1 A 81 81 ARG C C 81 175.600 175.915 -0.315 2
1 962 . 1 1 A 81 81 ARG CA C 81 56.500 56.210 0.290 2
1 963 . 1 1 A 81 81 ARG CB C 81 30.800 31.073 -0.273 2
1 966 . 1 1 A 81 81 ARG N N 81 121.900 122.385 -0.485 2
1 967 . 1 1 A 82 82 GLU H H 82 8.410 8.309 0.101 2
1 968 . 1 1 A 82 82 GLU HA H 82 4.240 4.493 -0.253 2
1 973 . 1 1 A 82 82 GLU C C 82 176.400 176.251 0.149 2
1 974 . 1 1 A 82 82 GLU CA C 82 56.700 56.119 0.581 2
1 975 . 1 1 A 82 82 GLU CB C 82 29.900 30.294 -0.394 2
1 977 . 1 1 A 82 82 GLU N N 82 120.900 122.318 -1.418 2
1 978 . 1 1 A 83 83 LEU H H 83 8.120 8.420 -0.300 2
1 979 . 1 1 A 83 83 LEU HA H 83 4.310 4.341 -0.031 2
1 988 . 1 1 A 83 83 LEU C C 83 177.100 176.537 0.563 2
1 989 . 1 1 A 83 83 LEU CA C 83 55.200 55.253 -0.053 2
1 990 . 1 1 A 83 83 LEU CB C 83 42.100 42.248 -0.148 2
1 994 . 1 1 A 83 83 LEU N N 83 122.800 123.824 -1.024 2
1 995 . 1 1 A 84 84 ARG H H 84 8.260 8.201 0.059 2
1 996 . 1 1 A 84 84 ARG HA H 84 4.340 4.443 -0.103 2
1 999 . 1 1 A 84 84 ARG C C 84 176.000 175.645 0.355 2
1 1000 . 1 1 A 84 84 ARG CA C 84 55.900 56.247 -0.347 2
1 1001 . 1 1 A 84 84 ARG CB C 84 30.600 30.947 -0.347 2
1 1004 . 1 1 A 84 84 ARG N N 84 121.800 119.641 2.159 2
1 1005 . 1 1 A 85 85 ARG H H 85 8.390 8.336 0.054 2
1 1006 . 1 1 A 85 85 ARG HA H 85 4.390 4.393 -0.003 2
1 1009 . 1 1 A 85 85 ARG C C 85 176.100 175.649 0.451 2
1 1010 . 1 1 A 85 85 ARG CA C 85 56.000 56.227 -0.228 2
1 1011 . 1 1 A 85 85 ARG CB C 85 31.000 30.715 0.285 2
1 1014 . 1 1 A 85 85 ARG N N 85 122.800 121.537 1.263 2
1 1015 . 1 1 A 86 86 SER H H 86 8.430 8.429 0.001 2
1 1016 . 1 1 A 86 86 SER HA H 86 4.470 4.623 -0.153 2
1 1019 . 1 1 A 86 86 SER C C 86 173.300 174.222 -0.922 2
1 1020 . 1 1 A 86 86 SER CA C 86 58.200 58.427 -0.227 2
1 1021 . 1 1 A 86 86 SER CB C 86 64.000 63.776 0.224 2
1 1022 . 1 1 A 86 86 SER N N 86 117.500 117.630 -0.130 2
1 1023 . 1 1 A 87 87 ASN H H 87 8.120 8.579 -0.459 2
1 1024 . 1 1 A 87 87 ASN HA H 87 4.470 4.940 -0.470 2
1 1029 . 1 1 A 87 87 ASN CA C 87 54.800 52.975 1.825 2
1 1030 . 1 1 A 87 87 ASN CB C 87 40.100 39.410 0.690 2
1 1031 . 1 1 A 87 87 ASN N N 87 125.900 121.105 4.795 2
1 1033 . 1 1 A 88 88 ASP HA H 88 4.640 4.936 -0.296 2
1 1036 . 1 1 A 88 88 ASP C C 88 175.700 175.579 0.121 2
1 1037 . 1 1 A 88 88 ASP CA C 88 54.500 53.425 1.075 2
1 1038 . 1 1 A 88 88 ASP CB C 88 41.100 42.054 -0.954 2
1 1039 . 1 1 A 89 89 ILE H H 89 8.000 8.372 -0.372 2
1 1040 . 1 1 A 89 89 ILE HA H 89 4.160 4.412 -0.252 2
1 1050 . 1 1 A 89 89 ILE C C 89 175.200 175.055 0.145 2
1 1051 . 1 1 A 89 89 ILE CA C 89 61.100 60.811 0.289 2
1 1052 . 1 1 A 89 89 ILE CB C 89 38.500 38.778 -0.278 2
1 1056 . 1 1 A 89 89 ILE N N 89 120.400 120.374 0.026 2
1 1057 . 1 1 A 90 90 LEU H H 90 7.880 8.433 -0.553 2
1 1058 . 1 1 A 90 90 LEU HA H 90 4.190 4.513 -0.323 2
1 1067 . 1 1 A 90 90 LEU CA C 90 56.700 54.583 2.117 2
1 1068 . 1 1 A 90 90 LEU CB C 90 43.300 42.627 0.673 2
1 1072 . 1 1 A 90 90 LEU N N 90 131.900 125.994 5.906 2
1 1073 . 1 1 A 93 93 ALA HA H 93 4.370 4.351 0.019 2
1 1077 . 1 1 A 93 93 ALA C C 93 176.600 176.868 -0.268 2
1 1078 . 1 1 A 93 93 ALA CA C 93 52.300 52.526 -0.226 2
1 1079 . 1 1 A 93 93 ALA CB C 93 19.200 19.100 0.100 2
1 1080 . 1 1 A 94 94 SER H H 94 7.910 8.314 -0.404 2
1 1081 . 1 1 A 94 94 SER HA H 94 4.250 4.529 -0.279 2
1 1084 . 1 1 A 94 94 SER CA C 94 59.900 58.370 1.530 2
1 1085 . 1 1 A 94 94 SER CB C 94 64.700 63.651 1.049 2
stop_
save_