data_16325_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16325
_Entry.PDB_ID 2KJK
_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 10
_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 5 . 1 1 1 A 2 2 VAL HA H 2 3.810 4.131 -0.321 1
1 10 . 1 1 1 A 2 2 VAL C C 2 171.900 175.433 -3.533 1
1 11 . 1 1 1 A 2 2 VAL CA C 2 61.200 62.816 -1.616 1
1 12 . 1 1 1 A 2 2 VAL CB C 2 32.900 30.795 2.105 1
1 14 . 1 1 1 A 3 3 LYS H H 3 8.620 8.349 0.271 1
1 15 . 1 1 1 A 3 3 LYS HA H 3 4.400 4.433 -0.033 1
1 19 . 1 1 1 A 3 3 LYS C C 3 175.800 175.609 0.191 1
1 20 . 1 1 1 A 3 3 LYS CA C 3 56.240 55.508 0.732 1
1 21 . 1 1 1 A 3 3 LYS CB C 3 33.190 31.113 2.077 1
1 25 . 1 1 1 A 3 3 LYS N N 3 126.140 128.018 -1.878 1
1 26 . 1 1 1 A 4 4 VAL H H 4 8.350 8.050 0.300 1
1 30 . 1 1 1 A 4 4 VAL C C 4 175.600 174.995 0.605 1
1 31 . 1 1 1 A 4 4 VAL CA C 4 62.200 62.818 -0.618 1
1 32 . 1 1 1 A 4 4 VAL CB C 4 33.060 32.818 0.242 1
1 34 . 1 1 1 A 4 4 VAL N N 4 123.850 123.029 0.821 1
1 35 . 1 1 1 A 5 5 THR H H 5 8.100 8.578 -0.478 1
1 36 . 1 1 1 A 5 5 THR HA H 5 4.060 5.224 -1.164 1
1 41 . 1 1 1 A 5 5 THR C C 5 173.400 173.424 -0.024 1
1 42 . 1 1 1 A 5 5 THR CA C 5 61.220 59.961 1.259 1
1 43 . 1 1 1 A 5 5 THR CB C 5 70.100 71.477 -1.377 1
1 45 . 1 1 1 A 5 5 THR N N 5 118.630 118.183 0.447 1
1 46 . 1 1 1 A 6 6 TYR H H 6 8.300 8.798 -0.498 1
1 51 . 1 1 1 A 6 6 TYR C C 6 175.400 173.299 2.101 1
1 52 . 1 1 1 A 6 6 TYR CA C 6 57.480 57.550 -0.070 1
1 53 . 1 1 1 A 6 6 TYR CB C 6 39.400 38.953 0.447 1
1 56 . 1 1 1 A 6 6 TYR N N 6 123.230 122.706 0.524 1
1 57 . 1 1 1 A 7 7 ASP H H 7 8.560 7.795 0.765 1
1 58 . 1 1 1 A 7 7 ASP HA H 7 4.670 4.793 -0.123 1
1 60 . 1 1 1 A 7 7 ASP C C 7 175.100 175.119 -0.019 1
1 61 . 1 1 1 A 7 7 ASP CA C 7 54.400 53.220 1.180 1
1 62 . 1 1 1 A 7 7 ASP CB C 7 41.250 40.858 0.392 1
1 63 . 1 1 1 A 7 7 ASP N N 7 122.230 124.503 -2.273 1
1 64 . 1 1 1 A 8 8 GLY H H 8 7.610 8.586 -0.976 1
1 65 . 1 1 1 A 8 8 GLY HA2 H 8 3.930 3.965 -0.035 1
1 66 . 1 1 1 A 8 8 GLY HA3 H 8 4.140 3.970 0.170 1
1 67 . 1 1 1 A 8 8 GLY C C 8 171.900 172.573 -0.673 1
1 68 . 1 1 1 A 8 8 GLY CA C 8 44.940 44.205 0.735 1
1 69 . 1 1 1 A 8 8 GLY N N 8 106.550 112.738 -6.188 1
1 70 . 1 1 1 A 9 9 VAL H H 9 8.050 8.238 -0.188 1
1 71 . 1 1 1 A 9 9 VAL HA H 9 4.520 4.554 -0.034 1
1 79 . 1 1 1 A 9 9 VAL C C 9 173.700 172.977 0.723 1
1 80 . 1 1 1 A 9 9 VAL CA C 9 59.940 58.888 1.052 1
1 81 . 1 1 1 A 9 9 VAL CB C 9 33.470 34.935 -1.465 1
1 84 . 1 1 1 A 9 9 VAL N N 9 115.200 120.503 -5.303 1
1 85 . 1 1 1 A 10 10 TYR H H 10 8.720 8.200 0.520 1
1 89 . 1 1 1 A 10 10 TYR C C 10 175.700 175.440 0.260 1
1 90 . 1 1 1 A 10 10 TYR CA C 10 57.730 57.557 0.173 1
1 91 . 1 1 1 A 10 10 TYR CB C 10 41.210 39.938 1.272 1
1 94 . 1 1 1 A 10 10 TYR N N 10 122.700 128.260 -5.560 1
1 95 . 1 1 1 A 11 11 VAL H H 11 8.810 9.006 -0.196 1
1 96 . 1 1 1 A 11 11 VAL HA H 11 3.880 4.227 -0.347 1
1 104 . 1 1 1 A 11 11 VAL C C 11 175.700 176.161 -0.461 1
1 105 . 1 1 1 A 11 11 VAL CA C 11 62.810 62.554 0.256 1
1 106 . 1 1 1 A 11 11 VAL CB C 11 31.920 32.464 -0.544 1
1 109 . 1 1 1 A 11 11 VAL N N 11 121.170 123.870 -2.700 1
1 110 . 1 1 1 A 12 12 LEU H H 12 9.390 9.133 0.257 1
1 111 . 1 1 1 A 12 12 LEU HA H 12 4.350 4.224 0.126 1
1 120 . 1 1 1 A 12 12 LEU CA C 12 56.560 57.229 -0.669 1
1 121 . 1 1 1 A 12 12 LEU CB C 12 43.120 42.951 0.169 1
1 125 . 1 1 1 A 12 12 LEU N N 12 133.040 129.298 3.742 1
1 126 . 1 1 1 A 13 13 SER H H 13 7.490 7.030 0.460 1
1 127 . 1 1 1 A 13 13 SER HA H 13 3.700 4.613 -0.913 1
1 129 . 1 1 1 A 13 13 SER C C 13 171.100 171.960 -0.860 1
1 130 . 1 1 1 A 13 13 SER CA C 13 56.890 57.403 -0.513 1
1 131 . 1 1 1 A 13 13 SER CB C 13 65.220 64.934 0.286 1
1 132 . 1 1 1 A 13 13 SER N N 13 109.070 112.466 -3.396 1
1 133 . 1 1 1 A 14 14 VAL H H 14 8.380 8.400 -0.020 1
1 134 . 1 1 1 A 14 14 VAL HA H 14 4.360 4.690 -0.330 1
1 142 . 1 1 1 A 14 14 VAL C C 14 175.500 174.987 0.513 1
1 143 . 1 1 1 A 14 14 VAL CA C 14 61.270 61.181 0.089 1
1 144 . 1 1 1 A 14 14 VAL CB C 14 34.620 35.156 -0.536 1
1 147 . 1 1 1 A 14 14 VAL N N 14 121.190 122.501 -1.311 1
1 148 . 1 1 1 A 15 15 LYS H H 15 7.920 8.728 -0.808 1
1 149 . 1 1 1 A 15 15 LYS HA H 15 4.180 4.534 -0.354 1
1 154 . 1 1 1 A 15 15 LYS C C 15 175.600 175.848 -0.248 1
1 155 . 1 1 1 A 15 15 LYS CA C 15 57.150 56.069 1.081 1
1 156 . 1 1 1 A 15 15 LYS CB C 15 33.730 32.602 1.128 1
1 160 . 1 1 1 A 15 15 LYS N N 15 126.860 128.332 -1.472 1
1 161 . 1 1 1 A 16 16 GLU H H 16 8.200 8.683 -0.483 1
1 162 . 1 1 1 A 16 16 GLU HA H 16 4.240 4.438 -0.198 1
1 165 . 1 1 1 A 16 16 GLU C C 16 177.000 175.429 1.571 1
1 166 . 1 1 1 A 16 16 GLU CA C 16 56.720 56.291 0.429 1
1 167 . 1 1 1 A 16 16 GLU CB C 16 30.090 27.799 2.291 1
1 169 . 1 1 1 A 16 16 GLU N N 16 117.010 124.916 -7.906 1
1 170 . 1 1 1 A 17 17 ASP H H 17 8.910 8.816 0.094 1
1 171 . 1 1 1 A 17 17 ASP HA H 17 4.420 4.880 -0.460 1
1 173 . 1 1 1 A 17 17 ASP C C 17 174.500 174.367 0.133 1
1 174 . 1 1 1 A 17 17 ASP CA C 17 54.540 53.451 1.089 1
1 175 . 1 1 1 A 17 17 ASP CB C 17 38.700 41.072 -2.372 1
1 176 . 1 1 1 A 17 17 ASP N N 17 116.410 122.687 -6.277 1
1 177 . 1 1 1 A 18 18 VAL H H 18 6.670 7.475 -0.805 1
1 178 . 1 1 1 A 18 18 VAL HA H 18 4.840 4.640 0.200 1
1 183 . 1 1 1 A 18 18 VAL CA C 18 58.350 58.263 0.087 1
1 184 . 1 1 1 A 18 18 VAL CB C 18 32.330 34.353 -2.023 1
1 186 . 1 1 1 A 18 18 VAL N N 18 108.460 115.415 -6.955 1
1 187 . 1 1 1 A 19 19 PRO HA H 19 4.260 4.259 0.001 1
1 193 . 1 1 1 A 19 19 PRO C C 19 177.600 177.110 0.490 1
1 194 . 1 1 1 A 19 19 PRO CA C 19 65.900 65.742 0.158 1
1 195 . 1 1 1 A 19 19 PRO CB C 19 33.200 31.756 1.444 1
1 198 . 1 1 1 A 20 20 ALA H H 20 8.270 7.999 0.271 1
1 199 . 1 1 1 A 20 20 ALA HA H 20 3.930 4.122 -0.192 1
1 203 . 1 1 1 A 20 20 ALA C C 20 177.100 178.201 -1.101 1
1 204 . 1 1 1 A 20 20 ALA CA C 20 53.150 54.371 -1.221 1
1 205 . 1 1 1 A 20 20 ALA CB C 20 19.850 18.461 1.389 1
1 206 . 1 1 1 A 20 20 ALA N N 20 112.780 118.768 -5.988 1
1 207 . 1 1 1 A 21 21 ALA H H 21 7.880 8.146 -0.266 1
1 208 . 1 1 1 A 21 21 ALA HA H 21 4.040 4.049 -0.009 1
1 212 . 1 1 1 A 21 21 ALA C C 21 178.500 178.462 0.038 1
1 213 . 1 1 1 A 21 21 ALA CA C 21 54.210 53.901 0.309 1
1 214 . 1 1 1 A 21 21 ALA CB C 21 18.010 18.325 -0.315 1
1 215 . 1 1 1 A 21 21 ALA N N 21 122.260 121.041 1.219 1
1 216 . 1 1 1 A 22 22 GLY H H 22 8.970 8.795 0.175 1
1 217 . 1 1 1 A 22 22 GLY HA2 H 22 4.120 3.957 0.163 1
1 218 . 1 1 1 A 22 22 GLY HA3 H 22 3.670 3.969 -0.299 1
1 219 . 1 1 1 A 22 22 GLY C C 22 173.300 173.874 -0.574 1
1 220 . 1 1 1 A 22 22 GLY CA C 22 45.210 45.236 -0.026 1
1 221 . 1 1 1 A 22 22 GLY N N 22 110.560 111.646 -1.086 1
1 222 . 1 1 1 A 23 23 ILE H H 23 7.700 7.937 -0.237 1
1 223 . 1 1 1 A 23 23 ILE HA H 23 3.950 4.285 -0.335 1
1 233 . 1 1 1 A 23 23 ILE C C 23 175.300 175.445 -0.145 1
1 234 . 1 1 1 A 23 23 ILE CA C 23 62.530 62.631 -0.101 1
1 235 . 1 1 1 A 23 23 ILE CB C 23 40.040 40.432 -0.392 1
1 239 . 1 1 1 A 23 23 ILE N N 23 120.200 117.908 2.292 1
1 240 . 1 1 1 A 24 24 LEU H H 24 7.480 7.675 -0.195 1
1 241 . 1 1 1 A 24 24 LEU HA H 24 4.250 4.691 -0.441 1
1 248 . 1 1 1 A 24 24 LEU C C 24 174.000 175.253 -1.253 1
1 249 . 1 1 1 A 24 24 LEU CA C 24 52.990 53.388 -0.398 1
1 250 . 1 1 1 A 24 24 LEU CB C 24 44.740 45.036 -0.296 1
1 253 . 1 1 1 A 24 24 LEU N N 24 116.660 118.628 -1.968 1
1 254 . 1 1 1 A 25 25 HIS H H 25 8.280 8.822 -0.542 1
1 255 . 1 1 1 A 25 25 HIS HA H 25 4.570 5.293 -0.723 1
1 259 . 1 1 1 A 25 25 HIS C C 25 173.400 173.180 0.220 1
1 260 . 1 1 1 A 25 25 HIS CA C 25 54.370 55.071 -0.701 1
1 261 . 1 1 1 A 25 25 HIS CB C 25 32.150 33.390 -1.240 1
1 263 . 1 1 1 A 25 25 HIS N N 25 115.300 124.051 -8.751 1
1 264 . 1 1 1 A 26 26 ALA H H 26 8.900 7.736 1.164 1
1 265 . 1 1 1 A 26 26 ALA HA H 26 3.730 3.726 0.004 1
1 269 . 1 1 1 A 26 26 ALA C C 26 178.500 178.046 0.454 1
1 270 . 1 1 1 A 26 26 ALA CA C 26 53.740 53.407 0.333 1
1 271 . 1 1 1 A 26 26 ALA CB C 26 18.400 18.339 0.061 1
1 272 . 1 1 1 A 26 26 ALA N N 26 124.340 125.633 -1.293 1
1 273 . 1 1 1 A 27 27 GLY H H 27 9.430 8.898 0.532 1
1 274 . 1 1 1 A 27 27 GLY HA2 H 27 4.500 3.983 0.517 1
1 275 . 1 1 1 A 27 27 GLY HA3 H 27 3.620 3.998 -0.378 1
1 276 . 1 1 1 A 27 27 GLY C C 27 174.500 174.136 0.364 1
1 277 . 1 1 1 A 27 27 GLY CA C 27 44.900 44.965 -0.065 1
1 278 . 1 1 1 A 27 27 GLY N N 27 113.020 110.213 2.807 1
1 279 . 1 1 1 A 28 28 ASP H H 28 8.150 7.892 0.258 1
1 280 . 1 1 1 A 28 28 ASP HA H 28 5.000 4.787 0.213 1
1 282 . 1 1 1 A 28 28 ASP C C 28 173.800 175.737 -1.937 1
1 283 . 1 1 1 A 28 28 ASP CA C 28 55.510 54.254 1.256 1
1 284 . 1 1 1 A 28 28 ASP CB C 28 41.190 42.539 -1.349 1
1 285 . 1 1 1 A 28 28 ASP N N 28 121.760 122.044 -0.284 1
1 286 . 1 1 1 A 29 29 LEU H H 29 8.000 8.807 -0.807 1
1 287 . 1 1 1 A 29 29 LEU HA H 29 4.640 5.257 -0.617 1
1 294 . 1 1 1 A 29 29 LEU C C 29 176.300 175.601 0.699 1
1 295 . 1 1 1 A 29 29 LEU CA C 29 53.120 53.566 -0.446 1
1 296 . 1 1 1 A 29 29 LEU CB C 29 45.320 43.944 1.376 1
1 299 . 1 1 1 A 29 29 LEU N N 29 122.000 124.169 -2.169 1
1 300 . 1 1 1 A 30 30 ILE H H 30 9.210 8.473 0.737 1
1 301 . 1 1 1 A 30 30 ILE HA H 30 4.360 4.299 0.061 1
1 310 . 1 1 1 A 30 30 ILE C C 30 175.800 177.022 -1.222 1
1 311 . 1 1 1 A 30 30 ILE CA C 30 61.200 61.540 -0.340 1
1 312 . 1 1 1 A 30 30 ILE CB C 30 38.080 38.009 0.071 1
1 316 . 1 1 1 A 30 30 ILE N N 30 126.210 125.161 1.049 1
1 317 . 1 1 1 A 31 31 THR H H 31 8.790 9.463 -0.673 1
1 318 . 1 1 1 A 31 31 THR HA H 31 4.230 4.486 -0.256 1
1 323 . 1 1 1 A 31 31 THR C C 31 175.900 174.527 1.373 1
1 324 . 1 1 1 A 31 31 THR CA C 31 62.260 62.364 -0.104 1
1 325 . 1 1 1 A 31 31 THR CB C 31 69.320 69.433 -0.113 1
1 327 . 1 1 1 A 31 31 THR N N 31 117.100 119.290 -2.190 1
1 328 . 1 1 1 A 32 32 GLU H H 32 7.790 7.337 0.453 1
1 329 . 1 1 1 A 32 32 GLU HA H 32 5.080 4.657 0.423 1
1 333 . 1 1 1 A 32 32 GLU C C 32 174.700 173.949 0.751 1
1 334 . 1 1 1 A 32 32 GLU CA C 32 55.870 55.799 0.071 1
1 335 . 1 1 1 A 32 32 GLU CB C 32 35.300 33.045 2.255 1
1 337 . 1 1 1 A 32 32 GLU N N 32 120.420 119.634 0.786 1
1 338 . 1 1 1 A 33 33 ILE H H 33 8.770 8.477 0.293 1
1 339 . 1 1 1 A 33 33 ILE HA H 33 5.220 4.575 0.645 1
1 348 . 1 1 1 A 33 33 ILE C C 33 174.200 175.331 -1.131 1
1 349 . 1 1 1 A 33 33 ILE CA C 33 59.380 59.830 -0.450 1
1 350 . 1 1 1 A 33 33 ILE CB C 33 41.120 40.253 0.867 1
1 354 . 1 1 1 A 33 33 ILE N N 33 119.470 122.462 -2.992 1
1 355 . 1 1 1 A 34 34 ASP H H 34 10.100 9.298 0.802 1
1 356 . 1 1 1 A 34 34 ASP HA H 34 4.430 4.274 0.156 1
1 359 . 1 1 1 A 34 34 ASP C C 34 176.200 176.087 0.113 1
1 360 . 1 1 1 A 34 34 ASP CA C 34 55.530 55.272 0.258 1
1 361 . 1 1 1 A 34 34 ASP CB C 34 39.000 39.337 -0.337 1
1 362 . 1 1 1 A 34 34 ASP N N 34 128.840 128.741 0.099 1
1 363 . 1 1 1 A 35 35 GLY H H 35 8.860 8.516 0.344 1
1 364 . 1 1 1 A 35 35 GLY HA2 H 35 3.630 3.780 -0.150 1
1 365 . 1 1 1 A 35 35 GLY HA3 H 35 3.970 3.796 0.174 1
1 366 . 1 1 1 A 35 35 GLY C C 35 173.900 173.893 0.007 1
1 367 . 1 1 1 A 35 35 GLY CA C 35 45.580 45.399 0.181 1
1 368 . 1 1 1 A 35 35 GLY N N 35 103.110 104.668 -1.558 1
1 369 . 1 1 1 A 36 36 GLN H H 36 8.070 8.365 -0.295 1
1 370 . 1 1 1 A 36 36 GLN HA H 36 4.240 4.322 -0.082 1
1 374 . 1 1 1 A 36 36 GLN C C 36 174.200 174.711 -0.511 1
1 375 . 1 1 1 A 36 36 GLN CA C 36 54.250 55.751 -1.501 1
1 376 . 1 1 1 A 36 36 GLN CB C 36 30.870 29.784 1.086 1
1 378 . 1 1 1 A 36 36 GLN N N 36 119.670 120.204 -0.534 1
1 379 . 1 1 1 A 37 37 SER H H 37 8.290 8.234 0.056 1
1 380 . 1 1 1 A 37 37 SER HA H 37 3.750 4.972 -1.222 1
1 382 . 1 1 1 A 37 37 SER C C 37 173.500 172.083 1.417 1
1 383 . 1 1 1 A 37 37 SER CA C 37 56.280 56.842 -0.562 1
1 384 . 1 1 1 A 37 37 SER CB C 37 63.630 64.482 -0.852 1
1 385 . 1 1 1 A 37 37 SER N N 37 118.770 115.771 2.999 1
1 386 . 1 1 1 A 38 38 PHE H H 38 6.960 9.247 -2.287 1
1 387 . 1 1 1 A 38 38 PHE HA H 38 3.090 4.906 -1.816 1
1 391 . 1 1 1 A 38 38 PHE C C 38 175.600 174.709 0.891 1
1 392 . 1 1 1 A 38 38 PHE CA C 38 56.590 58.725 -2.135 1
1 393 . 1 1 1 A 38 38 PHE CB C 38 40.910 41.631 -0.721 1
1 396 . 1 1 1 A 38 38 PHE N N 38 120.740 122.535 -1.795 1
1 397 . 1 1 1 A 39 39 LYS H H 39 8.740 7.584 1.156 1
1 398 . 1 1 1 A 39 39 LYS HA H 39 4.160 4.582 -0.422 1
1 402 . 1 1 1 A 39 39 LYS C C 39 175.500 174.859 0.641 1
1 403 . 1 1 1 A 39 39 LYS CA C 39 56.500 56.962 -0.462 1
1 404 . 1 1 1 A 39 39 LYS CB C 39 33.210 33.367 -0.157 1
1 408 . 1 1 1 A 39 39 LYS N N 39 118.100 118.065 0.035 1
1 409 . 1 1 1 A 40 40 SER H H 40 7.480 8.381 -0.901 1
1 410 . 1 1 1 A 40 40 SER HA H 40 3.830 4.780 -0.950 1
1 412 . 1 1 1 A 40 40 SER C C 40 174.800 175.406 -0.606 1
1 413 . 1 1 1 A 40 40 SER CA C 40 56.380 57.013 -0.633 1
1 414 . 1 1 1 A 40 40 SER CB C 40 66.790 64.657 2.133 1
1 415 . 1 1 1 A 40 40 SER N N 40 111.180 118.144 -6.964 1
1 416 . 1 1 1 A 41 41 SER H H 41 10.310 8.853 1.457 1
1 417 . 1 1 1 A 41 41 SER HA H 41 3.780 4.228 -0.448 1
1 419 . 1 1 1 A 41 41 SER C C 41 176.300 177.155 -0.855 1
1 420 . 1 1 1 A 41 41 SER CA C 41 62.530 61.518 1.012 1
1 421 . 1 1 1 A 41 41 SER CB C 41 66.770 62.920 3.850 1
1 422 . 1 1 1 A 41 41 SER N N 41 121.470 118.943 2.527 1
1 423 . 1 1 1 A 42 42 GLN H H 42 8.510 7.995 0.515 1
1 424 . 1 1 1 A 42 42 GLN HA H 42 3.830 4.097 -0.267 1
1 426 . 1 1 1 A 42 42 GLN C C 42 177.300 178.874 -1.574 1
1 427 . 1 1 1 A 42 42 GLN CA C 42 58.480 58.717 -0.237 1
1 428 . 1 1 1 A 42 42 GLN CB C 42 28.450 28.438 0.012 1
1 430 . 1 1 1 A 42 42 GLN N N 42 121.500 121.587 -0.087 1
1 431 . 1 1 1 A 43 43 GLU H H 43 7.470 8.611 -1.141 1
1 432 . 1 1 1 A 43 43 GLU HA H 43 3.840 4.390 -0.550 1
1 434 . 1 1 1 A 43 43 GLU C C 43 179.200 178.925 0.275 1
1 435 . 1 1 1 A 43 43 GLU CA C 43 59.110 59.330 -0.220 1
1 436 . 1 1 1 A 43 43 GLU CB C 43 29.990 29.303 0.687 1
1 438 . 1 1 1 A 43 43 GLU N N 43 116.740 118.338 -1.598 1
1 439 . 1 1 1 A 44 44 PHE H H 44 7.320 8.424 -1.104 1
1 440 . 1 1 1 A 44 44 PHE HA H 44 3.630 4.286 -0.656 1
1 444 . 1 1 1 A 44 44 PHE C C 44 176.800 177.138 -0.338 1
1 445 . 1 1 1 A 44 44 PHE CA C 44 62.270 61.452 0.818 1
1 446 . 1 1 1 A 44 44 PHE CB C 44 39.920 39.153 0.767 1
1 449 . 1 1 1 A 44 44 PHE N N 44 118.660 121.551 -2.891 1
1 450 . 1 1 1 A 45 45 ILE H H 45 8.120 7.921 0.199 1
1 451 . 1 1 1 A 45 45 ILE HA H 45 3.390 3.464 -0.074 1
1 461 . 1 1 1 A 45 45 ILE C C 45 177.600 178.109 -0.509 1
1 462 . 1 1 1 A 45 45 ILE CA C 45 64.000 65.318 -1.318 1
1 463 . 1 1 1 A 45 45 ILE CB C 45 37.440 37.572 -0.132 1
1 467 . 1 1 1 A 45 45 ILE N N 45 119.470 120.165 -0.695 1
1 468 . 1 1 1 A 46 46 ASP H H 46 8.590 7.761 0.829 1
1 469 . 1 1 1 A 46 46 ASP HA H 46 4.180 4.291 -0.111 1
1 471 . 1 1 1 A 46 46 ASP C C 46 178.900 178.147 0.753 1
1 472 . 1 1 1 A 46 46 ASP CA C 46 57.000 57.156 -0.156 1
1 473 . 1 1 1 A 46 46 ASP CB C 46 39.350 40.032 -0.682 1
1 474 . 1 1 1 A 46 46 ASP N N 46 119.870 121.964 -2.094 1
1 475 . 1 1 1 A 47 47 TYR H H 47 7.530 8.037 -0.507 1
1 476 . 1 1 1 A 47 47 TYR HA H 47 4.090 4.302 -0.212 1
1 480 . 1 1 1 A 47 47 TYR C C 47 179.500 177.670 1.830 1
1 481 . 1 1 1 A 47 47 TYR CA C 47 61.960 61.498 0.462 1
1 482 . 1 1 1 A 47 47 TYR CB C 47 38.350 38.903 -0.553 1
1 485 . 1 1 1 A 47 47 TYR N N 47 120.170 122.789 -2.619 1
1 486 . 1 1 1 A 48 48 ILE H H 48 8.020 7.716 0.304 1
1 487 . 1 1 1 A 48 48 ILE HA H 48 3.200 3.716 -0.516 1
1 497 . 1 1 1 A 48 48 ILE C C 48 177.000 177.474 -0.474 1
1 498 . 1 1 1 A 48 48 ILE CA C 48 65.450 64.065 1.385 1
1 499 . 1 1 1 A 48 48 ILE CB C 48 36.770 37.314 -0.544 1
1 503 . 1 1 1 A 48 48 ILE N N 48 122.120 117.833 4.287 1
1 504 . 1 1 1 A 49 49 HIS H H 49 8.250 7.615 0.635 1
1 505 . 1 1 1 A 49 49 HIS HA H 49 4.490 4.179 0.311 1
1 507 . 1 1 1 A 49 49 HIS C C 49 174.300 177.172 -2.872 1
1 508 . 1 1 1 A 49 49 HIS CA C 49 55.550 58.047 -2.497 1
1 509 . 1 1 1 A 49 49 HIS CB C 49 28.650 30.304 -1.654 1
1 510 . 1 1 1 A 49 49 HIS N N 49 112.280 122.811 -10.531 1
1 511 . 1 1 1 A 50 50 SER H H 50 7.700 7.667 0.033 1
1 512 . 1 1 1 A 50 50 SER HA H 50 3.970 4.390 -0.420 1
1 514 . 1 1 1 A 50 50 SER C C 50 174.300 174.526 -0.226 1
1 515 . 1 1 1 A 50 50 SER CA C 50 59.300 59.396 -0.096 1
1 516 . 1 1 1 A 50 50 SER CB C 50 63.840 63.942 -0.102 1
1 517 . 1 1 1 A 50 50 SER N N 50 115.110 114.147 0.963 1
1 518 . 1 1 1 A 51 51 LYS H H 51 7.060 7.077 -0.017 1
1 519 . 1 1 1 A 51 51 LYS HA H 51 4.320 4.569 -0.249 1
1 527 . 1 1 1 A 51 51 LYS C C 51 173.100 175.129 -2.029 1
1 528 . 1 1 1 A 51 51 LYS CA C 51 53.730 54.624 -0.894 1
1 529 . 1 1 1 A 51 51 LYS CB C 51 31.350 33.958 -2.608 1
1 533 . 1 1 1 A 51 51 LYS N N 51 123.340 119.896 3.444 1
1 534 . 1 1 1 A 52 52 LYS H H 52 8.250 8.290 -0.040 1
1 535 . 1 1 1 A 52 52 LYS HA H 52 4.610 4.864 -0.254 1
1 540 . 1 1 1 A 52 52 LYS C C 52 177.000 176.170 0.830 1
1 541 . 1 1 1 A 52 52 LYS CA C 52 54.060 54.199 -0.139 1
1 542 . 1 1 1 A 52 52 LYS CB C 52 34.900 36.216 -1.316 1
1 546 . 1 1 1 A 52 52 LYS N N 52 115.990 119.351 -3.361 1
1 547 . 1 1 1 A 53 53 VAL H H 53 8.520 8.532 -0.012 1
1 548 . 1 1 1 A 53 53 VAL HA H 53 3.050 3.579 -0.529 1
1 556 . 1 1 1 A 53 53 VAL C C 53 177.200 177.078 0.122 1
1 557 . 1 1 1 A 53 53 VAL CA C 53 66.270 65.464 0.806 1
1 558 . 1 1 1 A 53 53 VAL CB C 53 31.290 31.341 -0.051 1
1 561 . 1 1 1 A 53 53 VAL N N 53 120.780 122.514 -1.734 1
1 562 . 1 1 1 A 54 54 GLY H H 54 8.310 8.881 -0.571 1
1 563 . 1 1 1 A 54 54 GLY HA2 H 54 3.520 4.032 -0.512 1
1 564 . 1 1 1 A 54 54 GLY HA3 H 54 4.520 4.037 0.483 1
1 565 . 1 1 1 A 54 54 GLY C C 54 174.500 174.467 0.033 1
1 566 . 1 1 1 A 54 54 GLY CA C 54 45.010 44.788 0.222 1
1 567 . 1 1 1 A 54 54 GLY N N 54 116.140 115.399 0.741 1
1 568 . 1 1 1 A 55 55 ASP H H 55 8.110 7.825 0.285 1
1 569 . 1 1 1 A 55 55 ASP HA H 55 4.710 4.792 -0.082 1
1 572 . 1 1 1 A 55 55 ASP C C 55 175.000 175.121 -0.121 1
1 573 . 1 1 1 A 55 55 ASP CA C 55 54.950 54.547 0.403 1
1 574 . 1 1 1 A 55 55 ASP CB C 55 41.300 42.591 -1.291 1
1 575 . 1 1 1 A 55 55 ASP N N 55 121.670 121.432 0.238 1
1 576 . 1 1 1 A 56 56 THR H H 56 8.670 8.584 0.086 1
1 577 . 1 1 1 A 56 56 THR HA H 56 3.920 5.271 -1.351 1
1 582 . 1 1 1 A 56 56 THR C C 56 175.200 172.790 2.410 1
1 583 . 1 1 1 A 56 56 THR CA C 56 62.350 60.008 2.342 1
1 584 . 1 1 1 A 56 56 THR CB C 56 70.380 72.350 -1.970 1
1 586 . 1 1 1 A 56 56 THR N N 56 115.670 110.946 4.724 1
1 587 . 1 1 1 A 57 57 VAL H H 57 8.990 8.870 0.120 1
1 588 . 1 1 1 A 57 57 VAL HA H 57 5.190 5.102 0.088 1
1 596 . 1 1 1 A 57 57 VAL C C 57 173.900 173.759 0.141 1
1 597 . 1 1 1 A 57 57 VAL CA C 57 58.570 59.849 -1.279 1
1 598 . 1 1 1 A 57 57 VAL CB C 57 34.480 36.145 -1.665 1
1 601 . 1 1 1 A 57 57 VAL N N 57 119.230 120.343 -1.113 1
1 602 . 1 1 1 A 58 58 LYS H H 58 9.000 9.246 -0.246 1
1 603 . 1 1 1 A 58 58 LYS HA H 58 5.170 5.032 0.138 1
1 608 . 1 1 1 A 58 58 LYS C C 58 176.400 175.562 0.838 1
1 609 . 1 1 1 A 58 58 LYS CA C 58 54.990 55.163 -0.173 1
1 610 . 1 1 1 A 58 58 LYS CB C 58 33.510 34.410 -0.900 1
1 614 . 1 1 1 A 58 58 LYS N N 58 123.700 126.443 -2.743 1
1 615 . 1 1 1 A 59 59 ILE H H 59 9.460 8.849 0.611 1
1 616 . 1 1 1 A 59 59 ILE HA H 59 5.100 4.772 0.328 1
1 626 . 1 1 1 A 59 59 ILE C C 59 175.100 174.582 0.518 1
1 627 . 1 1 1 A 59 59 ILE CA C 59 59.940 60.097 -0.157 1
1 628 . 1 1 1 A 59 59 ILE CB C 59 41.740 40.434 1.306 1
1 632 . 1 1 1 A 59 59 ILE N N 59 125.190 126.194 -1.004 1
1 633 . 1 1 1 A 60 60 LYS H H 60 8.780 8.931 -0.151 1
1 634 . 1 1 1 A 60 60 LYS HA H 60 5.210 4.903 0.307 1
1 639 . 1 1 1 A 60 60 LYS C C 60 175.000 175.029 -0.029 1
1 640 . 1 1 1 A 60 60 LYS CA C 60 55.910 54.574 1.336 1
1 641 . 1 1 1 A 60 60 LYS CB C 60 34.340 34.350 -0.010 1
1 645 . 1 1 1 A 60 60 LYS N N 60 126.140 127.266 -1.126 1
1 646 . 1 1 1 A 61 61 TYR H H 61 8.660 8.153 0.507 1
1 647 . 1 1 1 A 61 61 TYR HA H 61 5.680 5.237 0.443 1
1 651 . 1 1 1 A 61 61 TYR CA C 61 55.090 55.992 -0.902 1
1 652 . 1 1 1 A 61 61 TYR CB C 61 41.640 41.877 -0.237 1
1 655 . 1 1 1 A 61 61 TYR N N 61 120.100 123.033 -2.933 1
1 656 . 1 1 1 A 62 62 LYS H H 62 9.590 8.540 1.050 1
1 657 . 1 1 1 A 62 62 LYS C C 62 172.100 174.779 -2.679 1
1 658 . 1 1 1 A 62 62 LYS CA C 62 54.820 54.529 0.291 1
1 659 . 1 1 1 A 62 62 LYS CB C 62 35.540 34.957 0.583 1
1 660 . 1 1 1 A 62 62 LYS N N 62 120.730 119.541 1.189 1
1 661 . 1 1 1 A 63 63 HIS H H 63 8.570 8.405 0.165 1
1 662 . 1 1 1 A 63 63 HIS HA H 63 5.240 4.985 0.255 1
1 665 . 1 1 1 A 63 63 HIS C C 63 175.200 175.264 -0.064 1
1 666 . 1 1 1 A 63 63 HIS CA C 63 54.100 56.330 -2.230 1
1 667 . 1 1 1 A 63 63 HIS CB C 63 30.300 30.558 -0.258 1
1 668 . 1 1 1 A 63 63 HIS N N 63 123.800 124.636 -0.836 1
1 669 . 1 1 1 A 64 64 GLY H H 64 9.080 8.735 0.345 1
1 670 . 1 1 1 A 64 64 GLY HA2 H 64 3.730 3.630 0.100 1
1 671 . 1 1 1 A 64 64 GLY C C 64 174.200 174.751 -0.551 1
1 672 . 1 1 1 A 64 64 GLY CA C 64 47.090 47.148 -0.058 1
1 673 . 1 1 1 A 64 64 GLY N N 64 119.110 115.979 3.131 1
1 674 . 1 1 1 A 65 65 ASN H H 65 8.770 8.680 0.090 1
1 675 . 1 1 1 A 65 65 ASN HA H 65 4.650 4.796 -0.146 1
1 677 . 1 1 1 A 65 65 ASN C C 65 174.600 174.788 -0.188 1
1 678 . 1 1 1 A 65 65 ASN CA C 65 53.080 52.859 0.221 1
1 679 . 1 1 1 A 65 65 ASN CB C 65 38.700 39.168 -0.468 1
1 680 . 1 1 1 A 65 65 ASN N N 65 122.390 124.512 -2.122 1
1 681 . 1 1 1 A 66 66 LYS H H 66 7.830 7.549 0.281 1
1 682 . 1 1 1 A 66 66 LYS HA H 66 4.470 4.871 -0.401 1
1 686 . 1 1 1 A 66 66 LYS C C 66 174.900 175.136 -0.236 1
1 687 . 1 1 1 A 66 66 LYS CA C 66 55.490 55.247 0.243 1
1 688 . 1 1 1 A 66 66 LYS CB C 66 34.670 34.386 0.284 1
1 692 . 1 1 1 A 66 66 LYS N N 66 120.640 117.493 3.147 1
1 693 . 1 1 1 A 67 67 ASN H H 67 8.570 8.756 -0.186 1
1 694 . 1 1 1 A 67 67 ASN HA H 67 4.860 5.042 -0.182 1
1 696 . 1 1 1 A 67 67 ASN C C 67 174.700 174.189 0.511 1
1 697 . 1 1 1 A 67 67 ASN CA C 67 53.680 52.877 0.803 1
1 698 . 1 1 1 A 67 67 ASN CB C 67 39.050 39.590 -0.540 1
1 699 . 1 1 1 A 67 67 ASN N N 67 123.400 122.291 1.109 1
1 700 . 1 1 1 A 68 68 GLU H H 68 8.970 8.625 0.345 1
1 701 . 1 1 1 A 68 68 GLU HA H 68 4.630 5.031 -0.401 1
1 704 . 1 1 1 A 68 68 GLU C C 68 174.500 175.074 -0.574 1
1 705 . 1 1 1 A 68 68 GLU CA C 68 54.130 54.800 -0.670 1
1 706 . 1 1 1 A 68 68 GLU CB C 68 32.450 32.764 -0.314 1
1 708 . 1 1 1 A 68 68 GLU N N 68 123.040 125.790 -2.750 1
1 709 . 1 1 1 A 69 69 GLU H H 69 8.440 8.747 -0.307 1
1 710 . 1 1 1 A 69 69 GLU HA H 69 5.500 5.041 0.459 1
1 713 . 1 1 1 A 69 69 GLU C C 69 175.000 175.142 -0.142 1
1 714 . 1 1 1 A 69 69 GLU CA C 69 55.010 55.007 0.003 1
1 715 . 1 1 1 A 69 69 GLU CB C 69 33.200 32.976 0.224 1
1 717 . 1 1 1 A 69 69 GLU N N 69 118.940 123.364 -4.424 1
1 718 . 1 1 1 A 70 70 ALA H H 70 9.140 8.240 0.900 1
1 719 . 1 1 1 A 70 70 ALA HA H 70 4.840 5.067 -0.227 1
1 723 . 1 1 1 A 70 70 ALA C C 70 175.500 175.400 0.100 1
1 724 . 1 1 1 A 70 70 ALA CA C 70 51.720 51.254 0.466 1
1 725 . 1 1 1 A 70 70 ALA CB C 70 23.780 23.863 -0.083 1
1 726 . 1 1 1 A 70 70 ALA N N 70 124.420 128.016 -3.596 1
1 727 . 1 1 1 A 71 71 SER H H 71 8.640 8.821 -0.181 1
1 728 . 1 1 1 A 71 71 SER HA H 71 5.480 5.563 -0.083 1
1 731 . 1 1 1 A 71 71 SER C C 71 173.900 173.531 0.369 1
1 732 . 1 1 1 A 71 71 SER CA C 71 57.470 56.710 0.760 1
1 733 . 1 1 1 A 71 71 SER CB C 71 63.760 65.132 -1.372 1
1 734 . 1 1 1 A 71 71 SER N N 71 118.040 114.750 3.290 1
1 735 . 1 1 1 A 72 72 ILE H H 72 9.100 8.957 0.143 1
1 736 . 1 1 1 A 72 72 ILE HA H 72 4.340 4.997 -0.657 1
1 746 . 1 1 1 A 72 72 ILE C C 72 173.500 174.676 -1.176 1
1 747 . 1 1 1 A 72 72 ILE CA C 72 60.140 58.769 1.371 1
1 748 . 1 1 1 A 72 72 ILE CB C 72 41.920 41.883 0.037 1
1 752 . 1 1 1 A 72 72 ILE N N 72 124.670 124.469 0.201 1
1 753 . 1 1 1 A 73 73 LYS H H 73 8.530 8.496 0.034 1
1 754 . 1 1 1 A 73 73 LYS HA H 73 4.810 4.585 0.225 1
1 759 . 1 1 1 A 73 73 LYS C C 73 176.000 177.035 -1.035 1
1 760 . 1 1 1 A 73 73 LYS CA C 73 55.630 56.061 -0.431 1
1 761 . 1 1 1 A 73 73 LYS CB C 73 33.440 33.584 -0.144 1
1 765 . 1 1 1 A 73 73 LYS N N 73 128.060 124.876 3.184 1
1 766 . 1 1 1 A 74 74 LEU H H 74 8.900 8.099 0.801 1
1 767 . 1 1 1 A 74 74 LEU HA H 74 4.230 4.372 -0.142 1
1 774 . 1 1 1 A 74 74 LEU C C 74 178.400 176.569 1.831 1
1 775 . 1 1 1 A 74 74 LEU CA C 74 55.520 55.411 0.109 1
1 776 . 1 1 1 A 74 74 LEU CB C 74 42.240 42.362 -0.122 1
1 779 . 1 1 1 A 74 74 LEU N N 74 123.270 125.910 -2.640 1
1 780 . 1 1 1 A 75 75 THR H H 75 8.550 8.839 -0.289 1
1 781 . 1 1 1 A 75 75 THR HA H 75 4.680 5.108 -0.428 1
1 786 . 1 1 1 A 75 75 THR C C 75 172.600 172.757 -0.157 1
1 787 . 1 1 1 A 75 75 THR CA C 75 59.400 59.229 0.171 1
1 788 . 1 1 1 A 75 75 THR CB C 75 71.300 72.336 -1.036 1
1 790 . 1 1 1 A 75 75 THR N N 75 116.480 114.100 2.380 1
1 791 . 1 1 1 A 76 76 ALA H H 76 8.360 8.681 -0.321 1
1 792 . 1 1 1 A 76 76 ALA HA H 76 4.490 4.452 0.038 1
1 796 . 1 1 1 A 76 76 ALA C C 76 179.100 178.076 1.024 1
1 797 . 1 1 1 A 76 76 ALA CA C 76 51.730 52.284 -0.554 1
1 798 . 1 1 1 A 76 76 ALA CB C 76 18.930 18.808 0.122 1
1 799 . 1 1 1 A 76 76 ALA N N 76 123.400 124.840 -1.440 1
1 800 . 1 1 1 A 77 77 ILE H H 77 8.850 8.853 -0.003 1
1 801 . 1 1 1 A 77 77 ILE HA H 77 4.370 4.344 0.026 1
1 811 . 1 1 1 A 77 77 ILE C C 77 174.900 175.691 -0.791 1
1 812 . 1 1 1 A 77 77 ILE CA C 77 59.850 62.116 -2.266 1
1 813 . 1 1 1 A 77 77 ILE CB C 77 39.200 39.025 0.175 1
1 817 . 1 1 1 A 77 77 ILE N N 77 118.310 118.872 -0.562 1
1 818 . 1 1 1 A 78 78 ASP H H 78 7.580 7.923 -0.343 1
1 819 . 1 1 1 A 78 78 ASP HA H 78 4.670 4.870 -0.200 1
1 822 . 1 1 1 A 78 78 ASP C C 78 177.300 177.410 -0.110 1
1 823 . 1 1 1 A 78 78 ASP CA C 78 52.500 51.968 0.532 1
1 824 . 1 1 1 A 78 78 ASP CB C 78 42.100 42.041 0.059 1
1 825 . 1 1 1 A 78 78 ASP N N 78 118.160 120.874 -2.714 1
1 826 . 1 1 1 A 79 79 LYS H H 79 8.380 8.889 -0.509 1
1 827 . 1 1 1 A 79 79 LYS HA H 79 4.200 4.079 0.121 1
1 832 . 1 1 1 A 79 79 LYS C C 79 177.200 177.946 -0.746 1
1 833 . 1 1 1 A 79 79 LYS CA C 79 57.620 59.054 -1.434 1
1 834 . 1 1 1 A 79 79 LYS CB C 79 31.940 31.869 0.071 1
1 838 . 1 1 1 A 79 79 LYS N N 79 117.260 117.595 -0.335 1
1 839 . 1 1 1 A 80 80 LYS H H 80 7.900 7.701 0.199 1
1 840 . 1 1 1 A 80 80 LYS HA H 80 4.350 4.417 -0.067 1
1 845 . 1 1 1 A 80 80 LYS C C 80 176.800 176.301 0.499 1
1 846 . 1 1 1 A 80 80 LYS CA C 80 56.070 56.418 -0.348 1
1 847 . 1 1 1 A 80 80 LYS CB C 80 32.430 32.934 -0.504 1
1 851 . 1 1 1 A 80 80 LYS N N 80 118.240 120.016 -1.776 1
1 852 . 1 1 1 A 81 81 GLY H H 81 7.850 8.080 -0.230 1
1 853 . 1 1 1 A 81 81 GLY HA2 H 81 4.170 3.872 0.298 1
1 854 . 1 1 1 A 81 81 GLY HA3 H 81 3.520 3.878 -0.358 1
1 855 . 1 1 1 A 81 81 GLY C C 81 173.700 174.704 -1.004 1
1 856 . 1 1 1 A 81 81 GLY CA C 81 45.340 47.076 -1.736 1
1 857 . 1 1 1 A 81 81 GLY N N 81 107.740 108.786 -1.046 1
1 858 . 1 1 1 A 82 82 THR H H 82 8.760 9.020 -0.260 1
1 859 . 1 1 1 A 82 82 THR HA H 82 4.060 4.281 -0.221 1
1 864 . 1 1 1 A 82 82 THR CA C 82 61.340 60.102 1.238 1
1 865 . 1 1 1 A 82 82 THR CB C 82 68.440 69.220 -0.780 1
1 867 . 1 1 1 A 82 82 THR N N 82 122.360 115.551 6.809 1
1 868 . 1 1 1 A 83 83 PRO HA H 83 4.760 4.297 0.463 1
1 874 . 1 1 1 A 83 83 PRO C C 83 177.100 176.063 1.037 1
1 875 . 1 1 1 A 83 83 PRO CA C 83 61.750 63.526 -1.776 1
1 876 . 1 1 1 A 83 83 PRO CB C 83 33.000 31.605 1.395 1
1 879 . 1 1 1 A 84 84 GLY H H 84 8.870 7.780 1.090 1
1 880 . 1 1 1 A 84 84 GLY HA2 H 84 4.140 4.107 0.033 1
1 881 . 1 1 1 A 84 84 GLY C C 84 171.400 172.855 -1.455 1
1 882 . 1 1 1 A 84 84 GLY CA C 84 46.360 44.996 1.364 1
1 883 . 1 1 1 A 84 84 GLY N N 84 104.120 108.184 -4.064 1
1 884 . 1 1 1 A 85 85 ILE H H 85 8.920 8.314 0.606 1
1 885 . 1 1 1 A 85 85 ILE HA H 85 4.570 4.313 0.257 1
1 895 . 1 1 1 A 85 85 ILE C C 85 175.100 175.878 -0.778 1
1 896 . 1 1 1 A 85 85 ILE CA C 85 61.110 60.012 1.098 1
1 897 . 1 1 1 A 85 85 ILE CB C 85 40.020 39.800 0.220 1
1 901 . 1 1 1 A 85 85 ILE N N 85 112.690 117.565 -4.875 1
1 902 . 1 1 1 A 86 86 GLY H H 86 8.980 8.457 0.523 1
1 903 . 1 1 1 A 86 86 GLY HA2 H 86 3.770 4.056 -0.286 1
1 904 . 1 1 1 A 86 86 GLY HA3 H 86 4.160 4.057 0.103 1
1 905 . 1 1 1 A 86 86 GLY C C 86 173.300 173.199 0.101 1
1 906 . 1 1 1 A 86 86 GLY CA C 86 45.960 45.913 0.047 1
1 907 . 1 1 1 A 86 86 GLY N N 86 112.050 109.585 2.465 1
1 908 . 1 1 1 A 87 87 ILE H H 87 7.290 8.591 -1.301 1
1 909 . 1 1 1 A 87 87 ILE HA H 87 5.170 5.107 0.063 1
1 918 . 1 1 1 A 87 87 ILE C C 87 174.800 174.504 0.296 1
1 919 . 1 1 1 A 87 87 ILE CA C 87 58.850 58.741 0.109 1
1 920 . 1 1 1 A 87 87 ILE CB C 87 41.480 42.676 -1.196 1
1 924 . 1 1 1 A 87 87 ILE N N 87 110.880 118.978 -8.098 1
1 925 . 1 1 1 A 88 88 THR H H 88 8.350 8.198 0.152 1
1 926 . 1 1 1 A 88 88 THR HA H 88 4.580 5.029 -0.449 1
1 931 . 1 1 1 A 88 88 THR C C 88 173.700 173.550 0.150 1
1 932 . 1 1 1 A 88 88 THR CA C 88 61.410 61.798 -0.388 1
1 933 . 1 1 1 A 88 88 THR CB C 88 70.570 71.070 -0.500 1
1 935 . 1 1 1 A 88 88 THR N N 88 116.050 116.719 -0.669 1
1 936 . 1 1 1 A 89 89 LEU H H 89 8.950 9.027 -0.077 1
1 937 . 1 1 1 A 89 89 LEU HA H 89 5.210 4.952 0.258 1
1 944 . 1 1 1 A 89 89 LEU C C 89 176.000 176.024 -0.024 1
1 945 . 1 1 1 A 89 89 LEU CA C 89 53.600 53.485 0.115 1
1 946 . 1 1 1 A 89 89 LEU CB C 89 44.840 43.944 0.896 1
1 949 . 1 1 1 A 89 89 LEU N N 89 126.710 126.617 0.093 1
1 950 . 1 1 1 A 90 90 VAL H H 90 8.820 8.498 0.322 1
1 951 . 1 1 1 A 90 90 VAL HA H 90 4.320 4.641 -0.321 1
1 956 . 1 1 1 A 90 90 VAL C C 90 174.600 174.732 -0.132 1
1 957 . 1 1 1 A 90 90 VAL CA C 90 61.300 61.130 0.170 1
1 958 . 1 1 1 A 90 90 VAL CB C 90 34.850 33.658 1.192 1
1 961 . 1 1 1 A 90 90 VAL N N 90 117.740 122.375 -4.635 1
1 962 . 1 1 1 A 91 91 ASP H H 91 8.510 8.617 -0.107 1
1 963 . 1 1 1 A 91 91 ASP HA H 91 4.890 4.879 0.011 1
1 965 . 1 1 1 A 91 91 ASP C C 91 176.000 175.528 0.472 1
1 966 . 1 1 1 A 91 91 ASP CA C 91 54.920 52.938 1.982 1
1 967 . 1 1 1 A 91 91 ASP CB C 91 41.590 40.772 0.818 1
1 968 . 1 1 1 A 91 91 ASP N N 91 123.890 124.145 -0.255 1
1 969 . 1 1 1 A 92 92 ASP H H 92 8.390 8.290 0.100 1
1 970 . 1 1 1 A 92 92 ASP HA H 92 4.730 4.324 0.406 1
1 972 . 1 1 1 A 92 92 ASP C C 92 175.800 176.244 -0.444 1
1 973 . 1 1 1 A 92 92 ASP CA C 92 53.890 54.827 -0.937 1
1 974 . 1 1 1 A 92 92 ASP CB C 92 41.650 39.445 2.205 1
1 975 . 1 1 1 A 92 92 ASP N N 92 119.860 118.380 1.480 1
1 976 . 1 1 1 A 93 93 LEU H H 93 8.180 8.237 -0.057 1
1 977 . 1 1 1 A 93 93 LEU HA H 93 4.130 3.842 0.288 1
1 983 . 1 1 1 A 93 93 LEU C C 93 177.700 176.970 0.730 1
1 984 . 1 1 1 A 93 93 LEU CA C 93 55.920 57.942 -2.022 1
1 985 . 1 1 1 A 93 93 LEU CB C 93 42.120 42.055 0.065 1
1 989 . 1 1 1 A 93 93 LEU N N 93 122.430 127.358 -4.928 1
1 990 . 1 1 1 A 94 94 GLU H H 94 8.240 7.838 0.402 1
1 991 . 1 1 1 A 94 94 GLU HA H 94 4.070 3.841 0.229 1
1 995 . 1 1 1 A 94 94 GLU C C 94 176.500 177.408 -0.908 1
1 996 . 1 1 1 A 94 94 GLU CA C 94 56.790 58.275 -1.485 1
1 997 . 1 1 1 A 94 94 GLU CB C 94 29.440 28.145 1.295 1
1 999 . 1 1 1 A 94 94 GLU N N 94 118.890 117.349 1.541 1
1 1000 . 1 1 1 A 95 95 HIS H H 95 8.250 8.406 -0.156 1
1 1001 . 1 1 1 A 95 95 HIS CA C 95 55.680 57.479 -1.799 1
1 1002 . 1 1 1 A 95 95 HIS CB C 95 28.300 30.442 -2.142 1
1 1003 . 1 1 1 A 95 95 HIS N N 95 117.130 120.864 -3.734 1
1 1004 . 1 1 1 A 96 96 HIS H H 96 8.440 8.079 0.361 1
1 1005 . 1 1 1 A 96 96 HIS CA C 96 55.550 56.941 -1.391 1
1 1006 . 1 1 1 A 96 96 HIS CB C 96 28.830 28.182 0.648 1
1 5 . 2 1 1 A 2 2 VAL HA H 2 3.810 4.217 -0.407 1
1 10 . 2 1 1 A 2 2 VAL C C 2 171.900 175.591 -3.691 1
1 11 . 2 1 1 A 2 2 VAL CA C 2 61.200 62.699 -1.499 1
1 12 . 2 1 1 A 2 2 VAL CB C 2 32.900 30.481 2.419 1
1 14 . 2 1 1 A 3 3 LYS H H 3 8.620 8.307 0.313 1
1 15 . 2 1 1 A 3 3 LYS HA H 3 4.400 4.632 -0.232 1
1 19 . 2 1 1 A 3 3 LYS C C 3 175.800 177.167 -1.367 1
1 20 . 2 1 1 A 3 3 LYS CA C 3 56.240 57.147 -0.907 1
1 21 . 2 1 1 A 3 3 LYS CB C 3 33.190 35.172 -1.982 1
1 25 . 2 1 1 A 3 3 LYS N N 3 126.140 126.049 0.091 1
1 26 . 2 1 1 A 4 4 VAL H H 4 8.350 8.148 0.202 1
1 30 . 2 1 1 A 4 4 VAL C C 4 175.600 175.892 -0.292 1
1 31 . 2 1 1 A 4 4 VAL CA C 4 62.200 64.937 -2.737 1
1 32 . 2 1 1 A 4 4 VAL CB C 4 33.060 32.064 0.996 1
1 34 . 2 1 1 A 4 4 VAL N N 4 123.850 119.817 4.033 1
1 35 . 2 1 1 A 5 5 THR H H 5 8.100 7.399 0.701 1
1 36 . 2 1 1 A 5 5 THR HA H 5 4.060 4.196 -0.136 1
1 41 . 2 1 1 A 5 5 THR C C 5 173.400 174.152 -0.752 1
1 42 . 2 1 1 A 5 5 THR CA C 5 61.220 62.355 -1.135 1
1 43 . 2 1 1 A 5 5 THR CB C 5 70.100 69.197 0.903 1
1 45 . 2 1 1 A 5 5 THR N N 5 118.630 111.676 6.954 1
1 46 . 2 1 1 A 6 6 TYR H H 6 8.300 8.304 -0.004 1
1 51 . 2 1 1 A 6 6 TYR C C 6 175.400 174.656 0.744 1
1 52 . 2 1 1 A 6 6 TYR CA C 6 57.480 58.364 -0.884 1
1 53 . 2 1 1 A 6 6 TYR CB C 6 39.400 35.964 3.436 1
1 56 . 2 1 1 A 6 6 TYR N N 6 123.230 118.351 4.879 1
1 57 . 2 1 1 A 7 7 ASP H H 7 8.560 7.950 0.610 1
1 58 . 2 1 1 A 7 7 ASP HA H 7 4.670 5.170 -0.500 1
1 60 . 2 1 1 A 7 7 ASP C C 7 175.100 174.855 0.245 1
1 61 . 2 1 1 A 7 7 ASP CA C 7 54.400 52.600 1.800 1
1 62 . 2 1 1 A 7 7 ASP CB C 7 41.250 41.768 -0.518 1
1 63 . 2 1 1 A 7 7 ASP N N 7 122.230 115.572 6.658 1
1 64 . 2 1 1 A 8 8 GLY H H 8 7.610 8.255 -0.645 1
1 65 . 2 1 1 A 8 8 GLY HA2 H 8 3.930 4.132 -0.202 1
1 66 . 2 1 1 A 8 8 GLY HA3 H 8 4.140 4.183 -0.043 1
1 67 . 2 1 1 A 8 8 GLY C C 8 171.900 171.099 0.801 1
1 68 . 2 1 1 A 8 8 GLY CA C 8 44.940 45.855 -0.915 1
1 69 . 2 1 1 A 8 8 GLY N N 8 106.550 107.249 -0.699 1
1 70 . 2 1 1 A 9 9 VAL H H 9 8.050 8.437 -0.387 1
1 71 . 2 1 1 A 9 9 VAL HA H 9 4.520 4.709 -0.189 1
1 79 . 2 1 1 A 9 9 VAL C C 9 173.700 173.189 0.511 1
1 80 . 2 1 1 A 9 9 VAL CA C 9 59.940 59.123 0.817 1
1 81 . 2 1 1 A 9 9 VAL CB C 9 33.470 35.001 -1.531 1
1 84 . 2 1 1 A 9 9 VAL N N 9 115.200 119.701 -4.501 1
1 85 . 2 1 1 A 10 10 TYR H H 10 8.720 8.229 0.491 1
1 89 . 2 1 1 A 10 10 TYR C C 10 175.700 175.634 0.066 1
1 90 . 2 1 1 A 10 10 TYR CA C 10 57.730 57.775 -0.045 1
1 91 . 2 1 1 A 10 10 TYR CB C 10 41.210 40.262 0.948 1
1 94 . 2 1 1 A 10 10 TYR N N 10 122.700 128.626 -5.926 1
1 95 . 2 1 1 A 11 11 VAL H H 11 8.810 8.983 -0.173 1
1 96 . 2 1 1 A 11 11 VAL HA H 11 3.880 4.387 -0.507 1
1 104 . 2 1 1 A 11 11 VAL C C 11 175.700 175.885 -0.185 1
1 105 . 2 1 1 A 11 11 VAL CA C 11 62.810 61.857 0.953 1
1 106 . 2 1 1 A 11 11 VAL CB C 11 31.920 33.202 -1.282 1
1 109 . 2 1 1 A 11 11 VAL N N 11 121.170 123.375 -2.205 1
1 110 . 2 1 1 A 12 12 LEU H H 12 9.390 9.058 0.332 1
1 111 . 2 1 1 A 12 12 LEU HA H 12 4.350 4.312 0.038 1
1 120 . 2 1 1 A 12 12 LEU CA C 12 56.560 57.132 -0.572 1
1 121 . 2 1 1 A 12 12 LEU CB C 12 43.120 42.749 0.371 1
1 125 . 2 1 1 A 12 12 LEU N N 12 133.040 129.435 3.605 1
1 126 . 2 1 1 A 13 13 SER H H 13 7.490 7.718 -0.228 1
1 127 . 2 1 1 A 13 13 SER HA H 13 3.700 4.687 -0.987 1
1 129 . 2 1 1 A 13 13 SER C C 13 171.100 171.980 -0.880 1
1 130 . 2 1 1 A 13 13 SER CA C 13 56.890 57.661 -0.771 1
1 131 . 2 1 1 A 13 13 SER CB C 13 65.220 65.210 0.010 1
1 132 . 2 1 1 A 13 13 SER N N 13 109.070 108.889 0.181 1
1 133 . 2 1 1 A 14 14 VAL H H 14 8.380 8.496 -0.116 1
1 134 . 2 1 1 A 14 14 VAL HA H 14 4.360 4.667 -0.307 1
1 142 . 2 1 1 A 14 14 VAL C C 14 175.500 176.379 -0.879 1
1 143 . 2 1 1 A 14 14 VAL CA C 14 61.270 60.394 0.876 1
1 144 . 2 1 1 A 14 14 VAL CB C 14 34.620 35.117 -0.497 1
1 147 . 2 1 1 A 14 14 VAL N N 14 121.190 121.432 -0.242 1
1 148 . 2 1 1 A 15 15 LYS H H 15 7.920 8.872 -0.952 1
1 149 . 2 1 1 A 15 15 LYS HA H 15 4.180 3.855 0.325 1
1 154 . 2 1 1 A 15 15 LYS C C 15 175.600 177.302 -1.702 1
1 155 . 2 1 1 A 15 15 LYS CA C 15 57.150 59.769 -2.619 1
1 156 . 2 1 1 A 15 15 LYS CB C 15 33.730 32.566 1.164 1
1 160 . 2 1 1 A 15 15 LYS N N 15 126.860 127.720 -0.860 1
1 161 . 2 1 1 A 16 16 GLU H H 16 8.200 8.134 0.066 1
1 162 . 2 1 1 A 16 16 GLU HA H 16 4.240 4.604 -0.364 1
1 165 . 2 1 1 A 16 16 GLU C C 16 177.000 176.075 0.925 1
1 166 . 2 1 1 A 16 16 GLU CA C 16 56.720 55.572 1.148 1
1 167 . 2 1 1 A 16 16 GLU CB C 16 30.090 31.377 -1.287 1
1 169 . 2 1 1 A 16 16 GLU N N 16 117.010 120.996 -3.986 1
1 170 . 2 1 1 A 17 17 ASP H H 17 8.910 7.781 1.129 1
1 171 . 2 1 1 A 17 17 ASP HA H 17 4.420 4.827 -0.407 1
1 173 . 2 1 1 A 17 17 ASP C C 17 174.500 176.116 -1.616 1
1 174 . 2 1 1 A 17 17 ASP CA C 17 54.540 54.888 -0.348 1
1 175 . 2 1 1 A 17 17 ASP CB C 17 38.700 41.935 -3.235 1
1 176 . 2 1 1 A 17 17 ASP N N 17 116.410 117.662 -1.252 1
1 177 . 2 1 1 A 18 18 VAL H H 18 6.670 7.877 -1.207 1
1 178 . 2 1 1 A 18 18 VAL HA H 18 4.840 4.101 0.739 1
1 183 . 2 1 1 A 18 18 VAL CA C 18 58.350 61.458 -3.108 1
1 184 . 2 1 1 A 18 18 VAL CB C 18 32.330 31.775 0.555 1
1 186 . 2 1 1 A 18 18 VAL N N 18 108.460 118.492 -10.032 1
1 187 . 2 1 1 A 19 19 PRO HA H 19 4.260 4.484 -0.224 1
1 193 . 2 1 1 A 19 19 PRO C C 19 177.600 176.641 0.959 1
1 194 . 2 1 1 A 19 19 PRO CA C 19 65.900 64.218 1.682 1
1 195 . 2 1 1 A 19 19 PRO CB C 19 33.200 31.312 1.888 1
1 198 . 2 1 1 A 20 20 ALA H H 20 8.270 7.953 0.317 1
1 199 . 2 1 1 A 20 20 ALA HA H 20 3.930 4.438 -0.508 1
1 203 . 2 1 1 A 20 20 ALA C C 20 177.100 177.366 -0.266 1
1 204 . 2 1 1 A 20 20 ALA CA C 20 53.150 52.882 0.268 1
1 205 . 2 1 1 A 20 20 ALA CB C 20 19.850 20.141 -0.291 1
1 206 . 2 1 1 A 20 20 ALA N N 20 112.780 119.622 -6.842 1
1 207 . 2 1 1 A 21 21 ALA H H 21 7.880 8.026 -0.146 1
1 208 . 2 1 1 A 21 21 ALA HA H 21 4.040 4.087 -0.047 1
1 212 . 2 1 1 A 21 21 ALA C C 21 178.500 178.553 -0.053 1
1 213 . 2 1 1 A 21 21 ALA CA C 21 54.210 53.666 0.544 1
1 214 . 2 1 1 A 21 21 ALA CB C 21 18.010 18.486 -0.476 1
1 215 . 2 1 1 A 21 21 ALA N N 21 122.260 121.135 1.125 1
1 216 . 2 1 1 A 22 22 GLY H H 22 8.970 8.812 0.158 1
1 217 . 2 1 1 A 22 22 GLY HA2 H 22 4.120 3.980 0.140 1
1 218 . 2 1 1 A 22 22 GLY HA3 H 22 3.670 3.980 -0.310 1
1 219 . 2 1 1 A 22 22 GLY C C 22 173.300 174.642 -1.342 1
1 220 . 2 1 1 A 22 22 GLY CA C 22 45.210 45.336 -0.126 1
1 221 . 2 1 1 A 22 22 GLY N N 22 110.560 110.629 -0.069 1
1 222 . 2 1 1 A 23 23 ILE H H 23 7.700 7.985 -0.285 1
1 223 . 2 1 1 A 23 23 ILE HA H 23 3.950 4.233 -0.283 1
1 233 . 2 1 1 A 23 23 ILE C C 23 175.300 175.572 -0.272 1
1 234 . 2 1 1 A 23 23 ILE CA C 23 62.530 62.608 -0.078 1
1 235 . 2 1 1 A 23 23 ILE CB C 23 40.040 39.990 0.050 1
1 239 . 2 1 1 A 23 23 ILE N N 23 120.200 118.571 1.629 1
1 240 . 2 1 1 A 24 24 LEU H H 24 7.480 7.893 -0.413 1
1 241 . 2 1 1 A 24 24 LEU HA H 24 4.250 4.423 -0.173 1
1 248 . 2 1 1 A 24 24 LEU C C 24 174.000 175.355 -1.355 1
1 249 . 2 1 1 A 24 24 LEU CA C 24 52.990 53.652 -0.662 1
1 250 . 2 1 1 A 24 24 LEU CB C 24 44.740 43.205 1.535 1
1 253 . 2 1 1 A 24 24 LEU N N 24 116.660 119.098 -2.438 1
1 254 . 2 1 1 A 25 25 HIS H H 25 8.280 9.061 -0.781 1
1 255 . 2 1 1 A 25 25 HIS HA H 25 4.570 5.069 -0.499 1
1 259 . 2 1 1 A 25 25 HIS C C 25 173.400 173.996 -0.596 1
1 260 . 2 1 1 A 25 25 HIS CA C 25 54.370 54.234 0.136 1
1 261 . 2 1 1 A 25 25 HIS CB C 25 32.150 33.208 -1.058 1
1 263 . 2 1 1 A 25 25 HIS N N 25 115.300 123.896 -8.596 1
1 264 . 2 1 1 A 26 26 ALA H H 26 8.900 7.888 1.012 1
1 265 . 2 1 1 A 26 26 ALA HA H 26 3.730 3.744 -0.014 1
1 269 . 2 1 1 A 26 26 ALA C C 26 178.500 177.871 0.629 1
1 270 . 2 1 1 A 26 26 ALA CA C 26 53.740 53.621 0.119 1
1 271 . 2 1 1 A 26 26 ALA CB C 26 18.400 18.244 0.156 1
1 272 . 2 1 1 A 26 26 ALA N N 26 124.340 125.679 -1.339 1
1 273 . 2 1 1 A 27 27 GLY H H 27 9.430 8.639 0.791 1
1 274 . 2 1 1 A 27 27 GLY HA2 H 27 4.500 3.996 0.504 1
1 275 . 2 1 1 A 27 27 GLY HA3 H 27 3.620 4.018 -0.398 1
1 276 . 2 1 1 A 27 27 GLY C C 27 174.500 174.538 -0.038 1
1 277 . 2 1 1 A 27 27 GLY CA C 27 44.900 45.078 -0.178 1
1 278 . 2 1 1 A 27 27 GLY N N 27 113.020 110.537 2.483 1
1 279 . 2 1 1 A 28 28 ASP H H 28 8.150 7.852 0.298 1
1 280 . 2 1 1 A 28 28 ASP HA H 28 5.000 4.813 0.187 1
1 282 . 2 1 1 A 28 28 ASP C C 28 173.800 174.694 -0.894 1
1 283 . 2 1 1 A 28 28 ASP CA C 28 55.510 54.773 0.737 1
1 284 . 2 1 1 A 28 28 ASP CB C 28 41.190 41.652 -0.462 1
1 285 . 2 1 1 A 28 28 ASP N N 28 121.760 121.770 -0.010 1
1 286 . 2 1 1 A 29 29 LEU H H 29 8.000 8.945 -0.945 1
1 287 . 2 1 1 A 29 29 LEU HA H 29 4.640 5.155 -0.515 1
1 294 . 2 1 1 A 29 29 LEU C C 29 176.300 176.187 0.113 1
1 295 . 2 1 1 A 29 29 LEU CA C 29 53.120 53.594 -0.474 1
1 296 . 2 1 1 A 29 29 LEU CB C 29 45.320 44.333 0.987 1
1 299 . 2 1 1 A 29 29 LEU N N 29 122.000 121.675 0.325 1
1 300 . 2 1 1 A 30 30 ILE H H 30 9.210 8.857 0.353 1
1 301 . 2 1 1 A 30 30 ILE HA H 30 4.360 4.217 0.143 1
1 310 . 2 1 1 A 30 30 ILE C C 30 175.800 177.279 -1.479 1
1 311 . 2 1 1 A 30 30 ILE CA C 30 61.200 61.769 -0.569 1
1 312 . 2 1 1 A 30 30 ILE CB C 30 38.080 36.894 1.186 1
1 316 . 2 1 1 A 30 30 ILE N N 30 126.210 125.289 0.921 1
1 317 . 2 1 1 A 31 31 THR H H 31 8.790 9.626 -0.836 1
1 318 . 2 1 1 A 31 31 THR HA H 31 4.230 4.488 -0.258 1
1 323 . 2 1 1 A 31 31 THR C C 31 175.900 174.690 1.210 1
1 324 . 2 1 1 A 31 31 THR CA C 31 62.260 62.430 -0.170 1
1 325 . 2 1 1 A 31 31 THR CB C 31 69.320 69.299 0.021 1
1 327 . 2 1 1 A 31 31 THR N N 31 117.100 120.162 -3.062 1
1 328 . 2 1 1 A 32 32 GLU H H 32 7.790 7.427 0.363 1
1 329 . 2 1 1 A 32 32 GLU HA H 32 5.080 4.599 0.481 1
1 333 . 2 1 1 A 32 32 GLU C C 32 174.700 174.052 0.648 1
1 334 . 2 1 1 A 32 32 GLU CA C 32 55.870 55.918 -0.048 1
1 335 . 2 1 1 A 32 32 GLU CB C 32 35.300 33.263 2.037 1
1 337 . 2 1 1 A 32 32 GLU N N 32 120.420 119.735 0.685 1
1 338 . 2 1 1 A 33 33 ILE H H 33 8.770 8.462 0.308 1
1 339 . 2 1 1 A 33 33 ILE HA H 33 5.220 4.436 0.784 1
1 348 . 2 1 1 A 33 33 ILE C C 33 174.200 175.869 -1.669 1
1 349 . 2 1 1 A 33 33 ILE CA C 33 59.380 59.890 -0.510 1
1 350 . 2 1 1 A 33 33 ILE CB C 33 41.120 40.633 0.487 1
1 354 . 2 1 1 A 33 33 ILE N N 33 119.470 122.714 -3.244 1
1 355 . 2 1 1 A 34 34 ASP H H 34 10.100 9.104 0.996 1
1 356 . 2 1 1 A 34 34 ASP HA H 34 4.430 4.253 0.177 1
1 359 . 2 1 1 A 34 34 ASP C C 34 176.200 175.263 0.937 1
1 360 . 2 1 1 A 34 34 ASP CA C 34 55.530 55.183 0.347 1
1 361 . 2 1 1 A 34 34 ASP CB C 34 39.000 39.696 -0.696 1
1 362 . 2 1 1 A 34 34 ASP N N 34 128.840 127.944 0.896 1
1 363 . 2 1 1 A 35 35 GLY H H 35 8.860 8.552 0.308 1
1 364 . 2 1 1 A 35 35 GLY HA2 H 35 3.630 3.768 -0.138 1
1 365 . 2 1 1 A 35 35 GLY HA3 H 35 3.970 3.787 0.183 1
1 366 . 2 1 1 A 35 35 GLY C C 35 173.900 173.675 0.225 1
1 367 . 2 1 1 A 35 35 GLY CA C 35 45.580 45.358 0.222 1
1 368 . 2 1 1 A 35 35 GLY N N 35 103.110 104.125 -1.015 1
1 369 . 2 1 1 A 36 36 GLN H H 36 8.070 7.822 0.248 1
1 370 . 2 1 1 A 36 36 GLN HA H 36 4.240 4.294 -0.054 1
1 374 . 2 1 1 A 36 36 GLN C C 36 174.200 174.486 -0.286 1
1 375 . 2 1 1 A 36 36 GLN CA C 36 54.250 54.818 -0.568 1
1 376 . 2 1 1 A 36 36 GLN CB C 36 30.870 29.734 1.136 1
1 378 . 2 1 1 A 36 36 GLN N N 36 119.670 120.468 -0.798 1
1 379 . 2 1 1 A 37 37 SER H H 37 8.290 8.575 -0.285 1
1 380 . 2 1 1 A 37 37 SER HA H 37 3.750 4.911 -1.161 1
1 382 . 2 1 1 A 37 37 SER C C 37 173.500 173.180 0.320 1
1 383 . 2 1 1 A 37 37 SER CA C 37 56.280 56.442 -0.162 1
1 384 . 2 1 1 A 37 37 SER CB C 37 63.630 64.066 -0.436 1
1 385 . 2 1 1 A 37 37 SER N N 37 118.770 118.690 0.080 1
1 386 . 2 1 1 A 38 38 PHE H H 38 6.960 8.351 -1.391 1
1 387 . 2 1 1 A 38 38 PHE HA H 38 3.090 4.477 -1.387 1
1 391 . 2 1 1 A 38 38 PHE C C 38 175.600 175.799 -0.199 1
1 392 . 2 1 1 A 38 38 PHE CA C 38 56.590 59.061 -2.471 1
1 393 . 2 1 1 A 38 38 PHE CB C 38 40.910 39.608 1.302 1
1 396 . 2 1 1 A 38 38 PHE N N 38 120.740 125.361 -4.621 1
1 397 . 2 1 1 A 39 39 LYS H H 39 8.740 9.041 -0.301 1
1 398 . 2 1 1 A 39 39 LYS HA H 39 4.160 4.389 -0.229 1
1 402 . 2 1 1 A 39 39 LYS C C 39 175.500 176.412 -0.912 1
1 403 . 2 1 1 A 39 39 LYS CA C 39 56.500 57.146 -0.646 1
1 404 . 2 1 1 A 39 39 LYS CB C 39 33.210 33.038 0.172 1
1 408 . 2 1 1 A 39 39 LYS N N 39 118.100 122.983 -4.883 1
1 409 . 2 1 1 A 40 40 SER H H 40 7.480 7.971 -0.491 1
1 410 . 2 1 1 A 40 40 SER HA H 40 3.830 4.925 -1.095 1
1 412 . 2 1 1 A 40 40 SER C C 40 174.800 174.279 0.521 1
1 413 . 2 1 1 A 40 40 SER CA C 40 56.380 57.421 -1.041 1
1 414 . 2 1 1 A 40 40 SER CB C 40 66.790 66.017 0.773 1
1 415 . 2 1 1 A 40 40 SER N N 40 111.180 115.087 -3.907 1
1 416 . 2 1 1 A 41 41 SER H H 41 10.310 9.135 1.175 1
1 417 . 2 1 1 A 41 41 SER HA H 41 3.780 4.174 -0.394 1
1 419 . 2 1 1 A 41 41 SER C C 41 176.300 176.493 -0.193 1
1 420 . 2 1 1 A 41 41 SER CA C 41 62.530 61.586 0.944 1
1 421 . 2 1 1 A 41 41 SER CB C 41 66.770 62.621 4.149 1
1 422 . 2 1 1 A 41 41 SER N N 41 121.470 119.494 1.976 1
1 423 . 2 1 1 A 42 42 GLN H H 42 8.510 7.992 0.518 1
1 424 . 2 1 1 A 42 42 GLN HA H 42 3.830 4.015 -0.185 1
1 426 . 2 1 1 A 42 42 GLN C C 42 177.300 178.509 -1.209 1
1 427 . 2 1 1 A 42 42 GLN CA C 42 58.480 58.915 -0.435 1
1 428 . 2 1 1 A 42 42 GLN CB C 42 28.450 28.327 0.123 1
1 430 . 2 1 1 A 42 42 GLN N N 42 121.500 121.323 0.177 1
1 431 . 2 1 1 A 43 43 GLU H H 43 7.470 8.212 -0.742 1
1 432 . 2 1 1 A 43 43 GLU HA H 43 3.840 4.175 -0.335 1
1 434 . 2 1 1 A 43 43 GLU C C 43 179.200 178.749 0.451 1
1 435 . 2 1 1 A 43 43 GLU CA C 43 59.110 59.235 -0.125 1
1 436 . 2 1 1 A 43 43 GLU CB C 43 29.990 29.373 0.617 1
1 438 . 2 1 1 A 43 43 GLU N N 43 116.740 119.741 -3.001 1
1 439 . 2 1 1 A 44 44 PHE H H 44 7.320 7.889 -0.569 1
1 440 . 2 1 1 A 44 44 PHE HA H 44 3.630 3.152 0.478 1
1 444 . 2 1 1 A 44 44 PHE C C 44 176.800 176.743 0.057 1
1 445 . 2 1 1 A 44 44 PHE CA C 44 62.270 60.978 1.292 1
1 446 . 2 1 1 A 44 44 PHE CB C 44 39.920 39.059 0.861 1
1 449 . 2 1 1 A 44 44 PHE N N 44 118.660 120.297 -1.637 1
1 450 . 2 1 1 A 45 45 ILE H H 45 8.120 8.137 -0.017 1
1 451 . 2 1 1 A 45 45 ILE HA H 45 3.390 3.147 0.243 1
1 461 . 2 1 1 A 45 45 ILE C C 45 177.600 177.765 -0.165 1
1 462 . 2 1 1 A 45 45 ILE CA C 45 64.000 64.763 -0.763 1
1 463 . 2 1 1 A 45 45 ILE CB C 45 37.440 37.350 0.090 1
1 467 . 2 1 1 A 45 45 ILE N N 45 119.470 119.829 -0.359 1
1 468 . 2 1 1 A 46 46 ASP H H 46 8.590 7.594 0.996 1
1 469 . 2 1 1 A 46 46 ASP HA H 46 4.180 4.343 -0.163 1
1 471 . 2 1 1 A 46 46 ASP C C 46 178.900 178.009 0.891 1
1 472 . 2 1 1 A 46 46 ASP CA C 46 57.000 57.122 -0.122 1
1 473 . 2 1 1 A 46 46 ASP CB C 46 39.350 40.233 -0.883 1
1 474 . 2 1 1 A 46 46 ASP N N 46 119.870 121.912 -2.042 1
1 475 . 2 1 1 A 47 47 TYR H H 47 7.530 7.945 -0.415 1
1 476 . 2 1 1 A 47 47 TYR HA H 47 4.090 4.243 -0.153 1
1 480 . 2 1 1 A 47 47 TYR C C 47 179.500 177.003 2.497 1
1 481 . 2 1 1 A 47 47 TYR CA C 47 61.960 61.198 0.762 1
1 482 . 2 1 1 A 47 47 TYR CB C 47 38.350 38.716 -0.366 1
1 485 . 2 1 1 A 47 47 TYR N N 47 120.170 122.664 -2.494 1
1 486 . 2 1 1 A 48 48 ILE H H 48 8.020 7.841 0.179 1
1 487 . 2 1 1 A 48 48 ILE HA H 48 3.200 3.517 -0.317 1
1 497 . 2 1 1 A 48 48 ILE C C 48 177.000 177.977 -0.977 1
1 498 . 2 1 1 A 48 48 ILE CA C 48 65.450 65.114 0.336 1
1 499 . 2 1 1 A 48 48 ILE CB C 48 36.770 37.277 -0.507 1
1 503 . 2 1 1 A 48 48 ILE N N 48 122.120 120.334 1.786 1
1 504 . 2 1 1 A 49 49 HIS H H 49 8.250 7.003 1.247 1
1 505 . 2 1 1 A 49 49 HIS HA H 49 4.490 4.302 0.188 1
1 507 . 2 1 1 A 49 49 HIS C C 49 174.300 176.133 -1.833 1
1 508 . 2 1 1 A 49 49 HIS CA C 49 55.550 59.096 -3.546 1
1 509 . 2 1 1 A 49 49 HIS CB C 49 28.650 29.733 -1.083 1
1 510 . 2 1 1 A 49 49 HIS N N 49 112.280 118.413 -6.133 1
1 511 . 2 1 1 A 50 50 SER H H 50 7.700 7.511 0.189 1
1 512 . 2 1 1 A 50 50 SER HA H 50 3.970 4.321 -0.351 1
1 514 . 2 1 1 A 50 50 SER C C 50 174.300 173.225 1.075 1
1 515 . 2 1 1 A 50 50 SER CA C 50 59.300 58.219 1.081 1
1 516 . 2 1 1 A 50 50 SER CB C 50 63.840 62.374 1.466 1
1 517 . 2 1 1 A 50 50 SER N N 50 115.110 112.043 3.067 1
1 518 . 2 1 1 A 51 51 LYS H H 51 7.060 7.497 -0.437 1
1 519 . 2 1 1 A 51 51 LYS HA H 51 4.320 4.973 -0.653 1
1 527 . 2 1 1 A 51 51 LYS C C 51 173.100 174.847 -1.747 1
1 528 . 2 1 1 A 51 51 LYS CA C 51 53.730 54.282 -0.552 1
1 529 . 2 1 1 A 51 51 LYS CB C 51 31.350 36.854 -5.504 1
1 533 . 2 1 1 A 51 51 LYS N N 51 123.340 120.004 3.336 1
1 534 . 2 1 1 A 52 52 LYS H H 52 8.250 8.677 -0.427 1
1 535 . 2 1 1 A 52 52 LYS HA H 52 4.610 4.945 -0.335 1
1 540 . 2 1 1 A 52 52 LYS C C 52 177.000 176.285 0.715 1
1 541 . 2 1 1 A 52 52 LYS CA C 52 54.060 54.249 -0.189 1
1 542 . 2 1 1 A 52 52 LYS CB C 52 34.900 36.376 -1.476 1
1 546 . 2 1 1 A 52 52 LYS N N 52 115.990 119.214 -3.224 1
1 547 . 2 1 1 A 53 53 VAL H H 53 8.520 8.566 -0.046 1
1 548 . 2 1 1 A 53 53 VAL HA H 53 3.050 3.649 -0.599 1
1 556 . 2 1 1 A 53 53 VAL C C 53 177.200 177.172 0.028 1
1 557 . 2 1 1 A 53 53 VAL CA C 53 66.270 65.451 0.819 1
1 558 . 2 1 1 A 53 53 VAL CB C 53 31.290 31.446 -0.156 1
1 561 . 2 1 1 A 53 53 VAL N N 53 120.780 122.028 -1.248 1
1 562 . 2 1 1 A 54 54 GLY H H 54 8.310 8.620 -0.310 1
1 563 . 2 1 1 A 54 54 GLY HA2 H 54 3.520 3.986 -0.466 1
1 564 . 2 1 1 A 54 54 GLY HA3 H 54 4.520 3.989 0.531 1
1 565 . 2 1 1 A 54 54 GLY C C 54 174.500 174.095 0.405 1
1 566 . 2 1 1 A 54 54 GLY CA C 54 45.010 45.018 -0.008 1
1 567 . 2 1 1 A 54 54 GLY N N 54 116.140 115.216 0.924 1
1 568 . 2 1 1 A 55 55 ASP H H 55 8.110 7.714 0.396 1
1 569 . 2 1 1 A 55 55 ASP HA H 55 4.710 4.742 -0.032 1
1 572 . 2 1 1 A 55 55 ASP C C 55 175.000 174.616 0.384 1
1 573 . 2 1 1 A 55 55 ASP CA C 55 54.950 54.855 0.095 1
1 574 . 2 1 1 A 55 55 ASP CB C 55 41.300 42.318 -1.018 1
1 575 . 2 1 1 A 55 55 ASP N N 55 121.670 121.354 0.316 1
1 576 . 2 1 1 A 56 56 THR H H 56 8.670 8.610 0.060 1
1 577 . 2 1 1 A 56 56 THR HA H 56 3.920 4.924 -1.004 1
1 582 . 2 1 1 A 56 56 THR C C 56 175.200 173.253 1.947 1
1 583 . 2 1 1 A 56 56 THR CA C 56 62.350 61.334 1.016 1
1 584 . 2 1 1 A 56 56 THR CB C 56 70.380 72.227 -1.847 1
1 586 . 2 1 1 A 56 56 THR N N 56 115.670 114.848 0.822 1
1 587 . 2 1 1 A 57 57 VAL H H 57 8.990 8.570 0.420 1
1 588 . 2 1 1 A 57 57 VAL HA H 57 5.190 5.033 0.157 1
1 596 . 2 1 1 A 57 57 VAL C C 57 173.900 172.599 1.301 1
1 597 . 2 1 1 A 57 57 VAL CA C 57 58.570 59.842 -1.272 1
1 598 . 2 1 1 A 57 57 VAL CB C 57 34.480 36.109 -1.629 1
1 601 . 2 1 1 A 57 57 VAL N N 57 119.230 123.692 -4.462 1
1 602 . 2 1 1 A 58 58 LYS H H 58 9.000 8.883 0.117 1
1 603 . 2 1 1 A 58 58 LYS HA H 58 5.170 5.068 0.102 1
1 608 . 2 1 1 A 58 58 LYS C C 58 176.400 174.068 2.332 1
1 609 . 2 1 1 A 58 58 LYS CA C 58 54.990 54.747 0.243 1
1 610 . 2 1 1 A 58 58 LYS CB C 58 33.510 35.160 -1.650 1
1 614 . 2 1 1 A 58 58 LYS N N 58 123.700 126.312 -2.612 1
1 615 . 2 1 1 A 59 59 ILE H H 59 9.460 8.886 0.574 1
1 616 . 2 1 1 A 59 59 ILE HA H 59 5.100 4.936 0.164 1
1 626 . 2 1 1 A 59 59 ILE C C 59 175.100 174.548 0.552 1
1 627 . 2 1 1 A 59 59 ILE CA C 59 59.940 59.991 -0.051 1
1 628 . 2 1 1 A 59 59 ILE CB C 59 41.740 41.029 0.711 1
1 632 . 2 1 1 A 59 59 ILE N N 59 125.190 128.153 -2.963 1
1 633 . 2 1 1 A 60 60 LYS H H 60 8.780 8.354 0.426 1
1 634 . 2 1 1 A 60 60 LYS HA H 60 5.210 5.174 0.036 1
1 639 . 2 1 1 A 60 60 LYS C C 60 175.000 174.690 0.310 1
1 640 . 2 1 1 A 60 60 LYS CA C 60 55.910 54.763 1.147 1
1 641 . 2 1 1 A 60 60 LYS CB C 60 34.340 35.535 -1.195 1
1 645 . 2 1 1 A 60 60 LYS N N 60 126.140 128.346 -2.206 1
1 646 . 2 1 1 A 61 61 TYR H H 61 8.660 8.536 0.124 1
1 647 . 2 1 1 A 61 61 TYR HA H 61 5.680 5.529 0.151 1
1 651 . 2 1 1 A 61 61 TYR CA C 61 55.090 55.755 -0.665 1
1 652 . 2 1 1 A 61 61 TYR CB C 61 41.640 42.010 -0.370 1
1 655 . 2 1 1 A 61 61 TYR N N 61 120.100 122.850 -2.750 1
1 656 . 2 1 1 A 62 62 LYS H H 62 9.590 8.577 1.013 1
1 657 . 2 1 1 A 62 62 LYS C C 62 172.100 174.475 -2.375 1
1 658 . 2 1 1 A 62 62 LYS CA C 62 54.820 55.065 -0.245 1
1 659 . 2 1 1 A 62 62 LYS CB C 62 35.540 34.848 0.692 1
1 660 . 2 1 1 A 62 62 LYS N N 62 120.730 121.177 -0.447 1
1 661 . 2 1 1 A 63 63 HIS H H 63 8.570 9.058 -0.488 1
1 662 . 2 1 1 A 63 63 HIS HA H 63 5.240 5.054 0.186 1
1 665 . 2 1 1 A 63 63 HIS C C 63 175.200 175.038 0.162 1
1 666 . 2 1 1 A 63 63 HIS CA C 63 54.100 55.260 -1.160 1
1 667 . 2 1 1 A 63 63 HIS CB C 63 30.300 32.760 -2.460 1
1 668 . 2 1 1 A 63 63 HIS N N 63 123.800 127.325 -3.525 1
1 669 . 2 1 1 A 64 64 GLY H H 64 9.080 8.762 0.318 1
1 670 . 2 1 1 A 64 64 GLY HA2 H 64 3.730 3.575 0.155 1
1 671 . 2 1 1 A 64 64 GLY C C 64 174.200 174.721 -0.521 1
1 672 . 2 1 1 A 64 64 GLY CA C 64 47.090 46.784 0.306 1
1 673 . 2 1 1 A 64 64 GLY N N 64 119.110 115.780 3.330 1
1 674 . 2 1 1 A 65 65 ASN H H 65 8.770 8.628 0.142 1
1 675 . 2 1 1 A 65 65 ASN HA H 65 4.650 4.798 -0.148 1
1 677 . 2 1 1 A 65 65 ASN C C 65 174.600 174.586 0.014 1
1 678 . 2 1 1 A 65 65 ASN CA C 65 53.080 53.080 0.000 1
1 679 . 2 1 1 A 65 65 ASN CB C 65 38.700 39.047 -0.347 1
1 680 . 2 1 1 A 65 65 ASN N N 65 122.390 124.801 -2.411 1
1 681 . 2 1 1 A 66 66 LYS H H 66 7.830 7.183 0.647 1
1 682 . 2 1 1 A 66 66 LYS HA H 66 4.470 4.845 -0.375 1
1 686 . 2 1 1 A 66 66 LYS C C 66 174.900 175.199 -0.299 1
1 687 . 2 1 1 A 66 66 LYS CA C 66 55.490 54.924 0.566 1
1 688 . 2 1 1 A 66 66 LYS CB C 66 34.670 34.742 -0.072 1
1 692 . 2 1 1 A 66 66 LYS N N 66 120.640 116.630 4.010 1
1 693 . 2 1 1 A 67 67 ASN H H 67 8.570 8.810 -0.240 1
1 694 . 2 1 1 A 67 67 ASN HA H 67 4.860 5.018 -0.158 1
1 696 . 2 1 1 A 67 67 ASN C C 67 174.700 174.864 -0.164 1
1 697 . 2 1 1 A 67 67 ASN CA C 67 53.680 52.890 0.790 1
1 698 . 2 1 1 A 67 67 ASN CB C 67 39.050 39.240 -0.190 1
1 699 . 2 1 1 A 67 67 ASN N N 67 123.400 124.100 -0.700 1
1 700 . 2 1 1 A 68 68 GLU H H 68 8.970 8.737 0.233 1
1 701 . 2 1 1 A 68 68 GLU HA H 68 4.630 4.937 -0.307 1
1 704 . 2 1 1 A 68 68 GLU C C 68 174.500 174.786 -0.286 1
1 705 . 2 1 1 A 68 68 GLU CA C 68 54.130 54.705 -0.575 1
1 706 . 2 1 1 A 68 68 GLU CB C 68 32.450 32.940 -0.490 1
1 708 . 2 1 1 A 68 68 GLU N N 68 123.040 123.231 -0.191 1
1 709 . 2 1 1 A 69 69 GLU H H 69 8.440 8.960 -0.520 1
1 710 . 2 1 1 A 69 69 GLU HA H 69 5.500 5.178 0.322 1
1 713 . 2 1 1 A 69 69 GLU C C 69 175.000 174.678 0.322 1
1 714 . 2 1 1 A 69 69 GLU CA C 69 55.010 54.464 0.546 1
1 715 . 2 1 1 A 69 69 GLU CB C 69 33.200 33.363 -0.163 1
1 717 . 2 1 1 A 69 69 GLU N N 69 118.940 123.672 -4.732 1
1 718 . 2 1 1 A 70 70 ALA H H 70 9.140 8.506 0.634 1
1 719 . 2 1 1 A 70 70 ALA HA H 70 4.840 5.049 -0.209 1
1 723 . 2 1 1 A 70 70 ALA C C 70 175.500 175.766 -0.266 1
1 724 . 2 1 1 A 70 70 ALA CA C 70 51.720 51.210 0.510 1
1 725 . 2 1 1 A 70 70 ALA CB C 70 23.780 22.800 0.980 1
1 726 . 2 1 1 A 70 70 ALA N N 70 124.420 128.149 -3.729 1
1 727 . 2 1 1 A 71 71 SER H H 71 8.640 8.959 -0.319 1
1 728 . 2 1 1 A 71 71 SER HA H 71 5.480 5.039 0.441 1
1 731 . 2 1 1 A 71 71 SER C C 71 173.900 174.404 -0.504 1
1 732 . 2 1 1 A 71 71 SER CA C 71 57.470 58.898 -1.428 1
1 733 . 2 1 1 A 71 71 SER CB C 71 63.760 64.020 -0.260 1
1 734 . 2 1 1 A 71 71 SER N N 71 118.040 120.519 -2.479 1
1 735 . 2 1 1 A 72 72 ILE H H 72 9.100 8.594 0.506 1
1 736 . 2 1 1 A 72 72 ILE HA H 72 4.340 5.051 -0.711 1
1 746 . 2 1 1 A 72 72 ILE C C 72 173.500 174.578 -1.078 1
1 747 . 2 1 1 A 72 72 ILE CA C 72 60.140 58.772 1.368 1
1 748 . 2 1 1 A 72 72 ILE CB C 72 41.920 42.239 -0.319 1
1 752 . 2 1 1 A 72 72 ILE N N 72 124.670 119.947 4.723 1
1 753 . 2 1 1 A 73 73 LYS H H 73 8.530 8.382 0.148 1
1 754 . 2 1 1 A 73 73 LYS HA H 73 4.810 4.908 -0.098 1
1 759 . 2 1 1 A 73 73 LYS C C 73 176.000 176.399 -0.399 1
1 760 . 2 1 1 A 73 73 LYS CA C 73 55.630 55.705 -0.075 1
1 761 . 2 1 1 A 73 73 LYS CB C 73 33.440 33.760 -0.320 1
1 765 . 2 1 1 A 73 73 LYS N N 73 128.060 122.206 5.854 1
1 766 . 2 1 1 A 74 74 LEU H H 74 8.900 8.447 0.453 1
1 767 . 2 1 1 A 74 74 LEU HA H 74 4.230 4.374 -0.144 1
1 774 . 2 1 1 A 74 74 LEU C C 74 178.400 176.583 1.817 1
1 775 . 2 1 1 A 74 74 LEU CA C 74 55.520 55.329 0.191 1
1 776 . 2 1 1 A 74 74 LEU CB C 74 42.240 42.363 -0.123 1
1 779 . 2 1 1 A 74 74 LEU N N 74 123.270 123.916 -0.646 1
1 780 . 2 1 1 A 75 75 THR H H 75 8.550 8.809 -0.259 1
1 781 . 2 1 1 A 75 75 THR HA H 75 4.680 5.121 -0.441 1
1 786 . 2 1 1 A 75 75 THR C C 75 172.600 172.957 -0.357 1
1 787 . 2 1 1 A 75 75 THR CA C 75 59.400 59.330 0.070 1
1 788 . 2 1 1 A 75 75 THR CB C 75 71.300 72.204 -0.904 1
1 790 . 2 1 1 A 75 75 THR N N 75 116.480 113.583 2.897 1
1 791 . 2 1 1 A 76 76 ALA H H 76 8.360 8.677 -0.317 1
1 792 . 2 1 1 A 76 76 ALA HA H 76 4.490 4.430 0.060 1
1 796 . 2 1 1 A 76 76 ALA C C 76 179.100 178.514 0.586 1
1 797 . 2 1 1 A 76 76 ALA CA C 76 51.730 52.004 -0.274 1
1 798 . 2 1 1 A 76 76 ALA CB C 76 18.930 19.034 -0.104 1
1 799 . 2 1 1 A 76 76 ALA N N 76 123.400 124.849 -1.449 1
1 800 . 2 1 1 A 77 77 ILE H H 77 8.850 8.781 0.069 1
1 801 . 2 1 1 A 77 77 ILE HA H 77 4.370 4.517 -0.147 1
1 811 . 2 1 1 A 77 77 ILE C C 77 174.900 175.093 -0.193 1
1 812 . 2 1 1 A 77 77 ILE CA C 77 59.850 60.783 -0.933 1
1 813 . 2 1 1 A 77 77 ILE CB C 77 39.200 39.927 -0.727 1
1 817 . 2 1 1 A 77 77 ILE N N 77 118.310 117.797 0.513 1
1 818 . 2 1 1 A 78 78 ASP H H 78 7.580 7.792 -0.212 1
1 819 . 2 1 1 A 78 78 ASP HA H 78 4.670 5.067 -0.397 1
1 822 . 2 1 1 A 78 78 ASP C C 78 177.300 176.533 0.767 1
1 823 . 2 1 1 A 78 78 ASP CA C 78 52.500 52.982 -0.482 1
1 824 . 2 1 1 A 78 78 ASP CB C 78 42.100 43.627 -1.527 1
1 825 . 2 1 1 A 78 78 ASP N N 78 118.160 121.446 -3.286 1
1 826 . 2 1 1 A 79 79 LYS H H 79 8.380 9.119 -0.739 1
1 827 . 2 1 1 A 79 79 LYS HA H 79 4.200 3.954 0.246 1
1 832 . 2 1 1 A 79 79 LYS C C 79 177.200 178.046 -0.846 1
1 833 . 2 1 1 A 79 79 LYS CA C 79 57.620 59.623 -2.003 1
1 834 . 2 1 1 A 79 79 LYS CB C 79 31.940 32.075 -0.135 1
1 838 . 2 1 1 A 79 79 LYS N N 79 117.260 122.712 -5.452 1
1 839 . 2 1 1 A 80 80 LYS H H 80 7.900 7.829 0.071 1
1 840 . 2 1 1 A 80 80 LYS HA H 80 4.350 4.213 0.137 1
1 845 . 2 1 1 A 80 80 LYS C C 80 176.800 177.803 -1.003 1
1 846 . 2 1 1 A 80 80 LYS CA C 80 56.070 55.558 0.512 1
1 847 . 2 1 1 A 80 80 LYS CB C 80 32.430 31.524 0.906 1
1 851 . 2 1 1 A 80 80 LYS N N 80 118.240 114.891 3.349 1
1 852 . 2 1 1 A 81 81 GLY H H 81 7.850 8.397 -0.547 1
1 853 . 2 1 1 A 81 81 GLY HA2 H 81 4.170 3.891 0.279 1
1 854 . 2 1 1 A 81 81 GLY HA3 H 81 3.520 3.894 -0.374 1
1 855 . 2 1 1 A 81 81 GLY C C 81 173.700 174.757 -1.057 1
1 856 . 2 1 1 A 81 81 GLY CA C 81 45.340 47.017 -1.677 1
1 857 . 2 1 1 A 81 81 GLY N N 81 107.740 109.289 -1.549 1
1 858 . 2 1 1 A 82 82 THR H H 82 8.760 8.186 0.574 1
1 859 . 2 1 1 A 82 82 THR HA H 82 4.060 4.343 -0.283 1
1 864 . 2 1 1 A 82 82 THR CA C 82 61.340 60.141 1.199 1
1 865 . 2 1 1 A 82 82 THR CB C 82 68.440 69.272 -0.832 1
1 867 . 2 1 1 A 82 82 THR N N 82 122.360 115.879 6.481 1
1 868 . 2 1 1 A 83 83 PRO HA H 83 4.760 4.336 0.424 1
1 874 . 2 1 1 A 83 83 PRO C C 83 177.100 176.026 1.074 1
1 875 . 2 1 1 A 83 83 PRO CA C 83 61.750 63.743 -1.993 1
1 876 . 2 1 1 A 83 83 PRO CB C 83 33.000 32.050 0.950 1
1 879 . 2 1 1 A 84 84 GLY H H 84 8.870 8.066 0.804 1
1 880 . 2 1 1 A 84 84 GLY HA2 H 84 4.140 4.114 0.026 1
1 881 . 2 1 1 A 84 84 GLY C C 84 171.400 172.151 -0.751 1
1 882 . 2 1 1 A 84 84 GLY CA C 84 46.360 45.233 1.127 1
1 883 . 2 1 1 A 84 84 GLY N N 84 104.120 108.040 -3.920 1
1 884 . 2 1 1 A 85 85 ILE H H 85 8.920 8.659 0.261 1
1 885 . 2 1 1 A 85 85 ILE HA H 85 4.570 4.657 -0.087 1
1 895 . 2 1 1 A 85 85 ILE C C 85 175.100 175.374 -0.274 1
1 896 . 2 1 1 A 85 85 ILE CA C 85 61.110 59.241 1.869 1
1 897 . 2 1 1 A 85 85 ILE CB C 85 40.020 40.148 -0.128 1
1 901 . 2 1 1 A 85 85 ILE N N 85 112.690 115.712 -3.022 1
1 902 . 2 1 1 A 86 86 GLY H H 86 8.980 8.651 0.329 1
1 903 . 2 1 1 A 86 86 GLY HA2 H 86 3.770 4.055 -0.285 1
1 904 . 2 1 1 A 86 86 GLY HA3 H 86 4.160 4.056 0.104 1
1 905 . 2 1 1 A 86 86 GLY C C 86 173.300 173.181 0.119 1
1 906 . 2 1 1 A 86 86 GLY CA C 86 45.960 46.129 -0.169 1
1 907 . 2 1 1 A 86 86 GLY N N 86 112.050 109.424 2.626 1
1 908 . 2 1 1 A 87 87 ILE H H 87 7.290 8.546 -1.256 1
1 909 . 2 1 1 A 87 87 ILE HA H 87 5.170 5.241 -0.071 1
1 918 . 2 1 1 A 87 87 ILE C C 87 174.800 174.378 0.422 1
1 919 . 2 1 1 A 87 87 ILE CA C 87 58.850 58.730 0.120 1
1 920 . 2 1 1 A 87 87 ILE CB C 87 41.480 42.490 -1.010 1
1 924 . 2 1 1 A 87 87 ILE N N 87 110.880 119.262 -8.382 1
1 925 . 2 1 1 A 88 88 THR H H 88 8.350 8.204 0.146 1
1 926 . 2 1 1 A 88 88 THR HA H 88 4.580 5.050 -0.470 1
1 931 . 2 1 1 A 88 88 THR C C 88 173.700 173.804 -0.104 1
1 932 . 2 1 1 A 88 88 THR CA C 88 61.410 61.693 -0.283 1
1 933 . 2 1 1 A 88 88 THR CB C 88 70.570 71.154 -0.584 1
1 935 . 2 1 1 A 88 88 THR N N 88 116.050 116.554 -0.504 1
1 936 . 2 1 1 A 89 89 LEU H H 89 8.950 9.023 -0.073 1
1 937 . 2 1 1 A 89 89 LEU HA H 89 5.210 4.976 0.234 1
1 944 . 2 1 1 A 89 89 LEU C C 89 176.000 176.907 -0.907 1
1 945 . 2 1 1 A 89 89 LEU CA C 89 53.600 53.315 0.285 1
1 946 . 2 1 1 A 89 89 LEU CB C 89 44.840 44.281 0.559 1
1 949 . 2 1 1 A 89 89 LEU N N 89 126.710 126.391 0.319 1
1 950 . 2 1 1 A 90 90 VAL H H 90 8.820 8.844 -0.024 1
1 951 . 2 1 1 A 90 90 VAL HA H 90 4.320 5.029 -0.709 1
1 956 . 2 1 1 A 90 90 VAL C C 90 174.600 174.633 -0.033 1
1 957 . 2 1 1 A 90 90 VAL CA C 90 61.300 59.810 1.490 1
1 958 . 2 1 1 A 90 90 VAL CB C 90 34.850 33.957 0.893 1
1 961 . 2 1 1 A 90 90 VAL N N 90 117.740 118.117 -0.377 1
1 962 . 2 1 1 A 91 91 ASP H H 91 8.510 8.810 -0.300 1
1 963 . 2 1 1 A 91 91 ASP HA H 91 4.890 5.104 -0.214 1
1 965 . 2 1 1 A 91 91 ASP C C 91 176.000 176.147 -0.147 1
1 966 . 2 1 1 A 91 91 ASP CA C 91 54.920 52.746 2.174 1
1 967 . 2 1 1 A 91 91 ASP CB C 91 41.590 40.764 0.826 1
1 968 . 2 1 1 A 91 91 ASP N N 91 123.890 120.755 3.135 1
1 969 . 2 1 1 A 92 92 ASP H H 92 8.390 8.519 -0.129 1
1 970 . 2 1 1 A 92 92 ASP HA H 92 4.730 4.249 0.481 1
1 972 . 2 1 1 A 92 92 ASP C C 92 175.800 176.111 -0.311 1
1 973 . 2 1 1 A 92 92 ASP CA C 92 53.890 57.018 -3.128 1
1 974 . 2 1 1 A 92 92 ASP CB C 92 41.650 40.379 1.271 1
1 975 . 2 1 1 A 92 92 ASP N N 92 119.860 119.961 -0.101 1
1 976 . 2 1 1 A 93 93 LEU H H 93 8.180 7.960 0.220 1
1 977 . 2 1 1 A 93 93 LEU HA H 93 4.130 3.781 0.349 1
1 983 . 2 1 1 A 93 93 LEU C C 93 177.700 175.950 1.750 1
1 984 . 2 1 1 A 93 93 LEU CA C 93 55.920 56.266 -0.346 1
1 985 . 2 1 1 A 93 93 LEU CB C 93 42.120 40.586 1.534 1
1 989 . 2 1 1 A 93 93 LEU N N 93 122.430 117.262 5.168 1
1 990 . 2 1 1 A 94 94 GLU H H 94 8.240 8.336 -0.096 1
1 991 . 2 1 1 A 94 94 GLU HA H 94 4.070 3.923 0.147 1
1 995 . 2 1 1 A 94 94 GLU C C 94 176.500 176.172 0.328 1
1 996 . 2 1 1 A 94 94 GLU CA C 94 56.790 57.103 -0.313 1
1 997 . 2 1 1 A 94 94 GLU CB C 94 29.440 28.226 1.214 1
1 999 . 2 1 1 A 94 94 GLU N N 94 118.890 110.122 8.768 1
1 1000 . 2 1 1 A 95 95 HIS H H 95 8.250 8.496 -0.246 1
1 1001 . 2 1 1 A 95 95 HIS CA C 95 55.680 55.673 0.007 1
1 1002 . 2 1 1 A 95 95 HIS CB C 95 28.300 29.974 -1.674 1
1 1003 . 2 1 1 A 95 95 HIS N N 95 117.130 122.315 -5.185 1
1 1004 . 2 1 1 A 96 96 HIS H H 96 8.440 7.743 0.697 1
1 1005 . 2 1 1 A 96 96 HIS CA C 96 55.550 56.651 -1.101 1
1 1006 . 2 1 1 A 96 96 HIS CB C 96 28.830 26.625 2.205 1
1 5 . 3 1 1 A 2 2 VAL HA H 2 3.810 4.027 -0.217 1
1 10 . 3 1 1 A 2 2 VAL C C 2 171.900 175.191 -3.291 1
1 11 . 3 1 1 A 2 2 VAL CA C 2 61.200 61.985 -0.785 1
1 12 . 3 1 1 A 2 2 VAL CB C 2 32.900 32.728 0.172 1
1 14 . 3 1 1 A 3 3 LYS H H 3 8.620 8.742 -0.122 1
1 15 . 3 1 1 A 3 3 LYS HA H 3 4.400 4.460 -0.060 1
1 19 . 3 1 1 A 3 3 LYS C C 3 175.800 176.002 -0.202 1
1 20 . 3 1 1 A 3 3 LYS CA C 3 56.240 57.696 -1.456 1
1 21 . 3 1 1 A 3 3 LYS CB C 3 33.190 33.867 -0.677 1
1 25 . 3 1 1 A 3 3 LYS N N 3 126.140 124.842 1.298 1
1 26 . 3 1 1 A 4 4 VAL H H 4 8.350 7.828 0.522 1
1 30 . 3 1 1 A 4 4 VAL C C 4 175.600 177.005 -1.405 1
1 31 . 3 1 1 A 4 4 VAL CA C 4 62.200 62.986 -0.786 1
1 32 . 3 1 1 A 4 4 VAL CB C 4 33.060 31.746 1.314 1
1 34 . 3 1 1 A 4 4 VAL N N 4 123.850 120.102 3.748 1
1 35 . 3 1 1 A 5 5 THR H H 5 8.100 8.438 -0.338 1
1 36 . 3 1 1 A 5 5 THR HA H 5 4.060 4.252 -0.192 1
1 41 . 3 1 1 A 5 5 THR C C 5 173.400 173.148 0.252 1
1 42 . 3 1 1 A 5 5 THR CA C 5 61.220 62.428 -1.208 1
1 43 . 3 1 1 A 5 5 THR CB C 5 70.100 68.855 1.245 1
1 45 . 3 1 1 A 5 5 THR N N 5 118.630 119.618 -0.988 1
1 46 . 3 1 1 A 6 6 TYR H H 6 8.300 8.250 0.050 1
1 51 . 3 1 1 A 6 6 TYR C C 6 175.400 175.884 -0.484 1
1 52 . 3 1 1 A 6 6 TYR CA C 6 57.480 59.219 -1.739 1
1 53 . 3 1 1 A 6 6 TYR CB C 6 39.400 38.464 0.936 1
1 56 . 3 1 1 A 6 6 TYR N N 6 123.230 121.446 1.784 1
1 57 . 3 1 1 A 7 7 ASP H H 7 8.560 9.094 -0.534 1
1 58 . 3 1 1 A 7 7 ASP HA H 7 4.670 4.539 0.131 1
1 60 . 3 1 1 A 7 7 ASP C C 7 175.100 176.697 -1.597 1
1 61 . 3 1 1 A 7 7 ASP CA C 7 54.400 56.365 -1.965 1
1 62 . 3 1 1 A 7 7 ASP CB C 7 41.250 41.059 0.191 1
1 63 . 3 1 1 A 7 7 ASP N N 7 122.230 123.914 -1.684 1
1 64 . 3 1 1 A 8 8 GLY H H 8 7.610 7.480 0.130 1
1 65 . 3 1 1 A 8 8 GLY HA2 H 8 3.930 4.085 -0.155 1
1 66 . 3 1 1 A 8 8 GLY HA3 H 8 4.140 4.119 0.021 1
1 67 . 3 1 1 A 8 8 GLY C C 8 171.900 171.689 0.211 1
1 68 . 3 1 1 A 8 8 GLY CA C 8 44.940 46.073 -1.133 1
1 69 . 3 1 1 A 8 8 GLY N N 8 106.550 102.817 3.733 1
1 70 . 3 1 1 A 9 9 VAL H H 9 8.050 8.581 -0.531 1
1 71 . 3 1 1 A 9 9 VAL HA H 9 4.520 5.058 -0.538 1
1 79 . 3 1 1 A 9 9 VAL C C 9 173.700 174.439 -0.739 1
1 80 . 3 1 1 A 9 9 VAL CA C 9 59.940 59.870 0.070 1
1 81 . 3 1 1 A 9 9 VAL CB C 9 33.470 34.124 -0.654 1
1 84 . 3 1 1 A 9 9 VAL N N 9 115.200 114.533 0.667 1
1 85 . 3 1 1 A 10 10 TYR H H 10 8.720 9.083 -0.363 1
1 89 . 3 1 1 A 10 10 TYR C C 10 175.700 175.327 0.373 1
1 90 . 3 1 1 A 10 10 TYR CA C 10 57.730 57.434 0.296 1
1 91 . 3 1 1 A 10 10 TYR CB C 10 41.210 39.825 1.385 1
1 94 . 3 1 1 A 10 10 TYR N N 10 122.700 125.170 -2.470 1
1 95 . 3 1 1 A 11 11 VAL H H 11 8.810 8.766 0.044 1
1 96 . 3 1 1 A 11 11 VAL HA H 11 3.880 4.134 -0.254 1
1 104 . 3 1 1 A 11 11 VAL C C 11 175.700 175.949 -0.249 1
1 105 . 3 1 1 A 11 11 VAL CA C 11 62.810 62.699 0.111 1
1 106 . 3 1 1 A 11 11 VAL CB C 11 31.920 31.882 0.038 1
1 109 . 3 1 1 A 11 11 VAL N N 11 121.170 124.211 -3.041 1
1 110 . 3 1 1 A 12 12 LEU H H 12 9.390 9.611 -0.221 1
1 111 . 3 1 1 A 12 12 LEU HA H 12 4.350 4.344 0.006 1
1 120 . 3 1 1 A 12 12 LEU CA C 12 56.560 57.097 -0.537 1
1 121 . 3 1 1 A 12 12 LEU CB C 12 43.120 42.955 0.165 1
1 125 . 3 1 1 A 12 12 LEU N N 12 133.040 129.537 3.503 1
1 126 . 3 1 1 A 13 13 SER H H 13 7.490 7.080 0.410 1
1 127 . 3 1 1 A 13 13 SER HA H 13 3.700 4.696 -0.996 1
1 129 . 3 1 1 A 13 13 SER C C 13 171.100 171.830 -0.730 1
1 130 . 3 1 1 A 13 13 SER CA C 13 56.890 57.404 -0.514 1
1 131 . 3 1 1 A 13 13 SER CB C 13 65.220 65.101 0.119 1
1 132 . 3 1 1 A 13 13 SER N N 13 109.070 112.729 -3.659 1
1 133 . 3 1 1 A 14 14 VAL H H 14 8.380 8.769 -0.389 1
1 134 . 3 1 1 A 14 14 VAL HA H 14 4.360 4.892 -0.532 1
1 142 . 3 1 1 A 14 14 VAL C C 14 175.500 174.547 0.953 1
1 143 . 3 1 1 A 14 14 VAL CA C 14 61.270 59.620 1.650 1
1 144 . 3 1 1 A 14 14 VAL CB C 14 34.620 35.629 -1.009 1
1 147 . 3 1 1 A 14 14 VAL N N 14 121.190 121.630 -0.440 1
1 148 . 3 1 1 A 15 15 LYS H H 15 7.920 8.205 -0.285 1
1 149 . 3 1 1 A 15 15 LYS HA H 15 4.180 4.422 -0.242 1
1 154 . 3 1 1 A 15 15 LYS C C 15 175.600 176.982 -1.382 1
1 155 . 3 1 1 A 15 15 LYS CA C 15 57.150 55.691 1.459 1
1 156 . 3 1 1 A 15 15 LYS CB C 15 33.730 33.349 0.381 1
1 160 . 3 1 1 A 15 15 LYS N N 15 126.860 126.860 0.000 1
1 161 . 3 1 1 A 16 16 GLU H H 16 8.200 9.033 -0.833 1
1 162 . 3 1 1 A 16 16 GLU HA H 16 4.240 4.475 -0.235 1
1 165 . 3 1 1 A 16 16 GLU C C 16 177.000 176.820 0.180 1
1 166 . 3 1 1 A 16 16 GLU CA C 16 56.720 56.538 0.182 1
1 167 . 3 1 1 A 16 16 GLU CB C 16 30.090 30.343 -0.253 1
1 169 . 3 1 1 A 16 16 GLU N N 16 117.010 121.336 -4.326 1
1 170 . 3 1 1 A 17 17 ASP H H 17 8.910 8.413 0.497 1
1 171 . 3 1 1 A 17 17 ASP HA H 17 4.420 4.696 -0.276 1
1 173 . 3 1 1 A 17 17 ASP C C 17 174.500 175.555 -1.055 1
1 174 . 3 1 1 A 17 17 ASP CA C 17 54.540 53.422 1.118 1
1 175 . 3 1 1 A 17 17 ASP CB C 17 38.700 40.307 -1.607 1
1 176 . 3 1 1 A 17 17 ASP N N 17 116.410 117.528 -1.118 1
1 177 . 3 1 1 A 18 18 VAL H H 18 6.670 7.396 -0.726 1
1 178 . 3 1 1 A 18 18 VAL HA H 18 4.840 4.812 0.028 1
1 183 . 3 1 1 A 18 18 VAL CA C 18 58.350 58.139 0.211 1
1 184 . 3 1 1 A 18 18 VAL CB C 18 32.330 34.149 -1.819 1
1 186 . 3 1 1 A 18 18 VAL N N 18 108.460 114.820 -6.360 1
1 187 . 3 1 1 A 19 19 PRO HA H 19 4.260 4.254 0.006 1
1 193 . 3 1 1 A 19 19 PRO C C 19 177.600 177.476 0.124 1
1 194 . 3 1 1 A 19 19 PRO CA C 19 65.900 65.013 0.887 1
1 195 . 3 1 1 A 19 19 PRO CB C 19 33.200 31.889 1.311 1
1 198 . 3 1 1 A 20 20 ALA H H 20 8.270 8.038 0.232 1
1 199 . 3 1 1 A 20 20 ALA HA H 20 3.930 4.096 -0.166 1
1 203 . 3 1 1 A 20 20 ALA C C 20 177.100 178.169 -1.069 1
1 204 . 3 1 1 A 20 20 ALA CA C 20 53.150 54.704 -1.554 1
1 205 . 3 1 1 A 20 20 ALA CB C 20 19.850 18.320 1.530 1
1 206 . 3 1 1 A 20 20 ALA N N 20 112.780 118.823 -6.043 1
1 207 . 3 1 1 A 21 21 ALA H H 21 7.880 7.863 0.017 1
1 208 . 3 1 1 A 21 21 ALA HA H 21 4.040 4.061 -0.021 1
1 212 . 3 1 1 A 21 21 ALA C C 21 178.500 178.441 0.059 1
1 213 . 3 1 1 A 21 21 ALA CA C 21 54.210 53.888 0.322 1
1 214 . 3 1 1 A 21 21 ALA CB C 21 18.010 18.320 -0.310 1
1 215 . 3 1 1 A 21 21 ALA N N 21 122.260 120.915 1.345 1
1 216 . 3 1 1 A 22 22 GLY H H 22 8.970 8.815 0.155 1
1 217 . 3 1 1 A 22 22 GLY HA2 H 22 4.120 3.987 0.133 1
1 218 . 3 1 1 A 22 22 GLY HA3 H 22 3.670 3.993 -0.323 1
1 219 . 3 1 1 A 22 22 GLY C C 22 173.300 174.317 -1.017 1
1 220 . 3 1 1 A 22 22 GLY CA C 22 45.210 45.239 -0.029 1
1 221 . 3 1 1 A 22 22 GLY N N 22 110.560 111.674 -1.114 1
1 222 . 3 1 1 A 23 23 ILE H H 23 7.700 7.791 -0.091 1
1 223 . 3 1 1 A 23 23 ILE HA H 23 3.950 4.325 -0.375 1
1 233 . 3 1 1 A 23 23 ILE C C 23 175.300 175.587 -0.287 1
1 234 . 3 1 1 A 23 23 ILE CA C 23 62.530 62.688 -0.158 1
1 235 . 3 1 1 A 23 23 ILE CB C 23 40.040 40.480 -0.440 1
1 239 . 3 1 1 A 23 23 ILE N N 23 120.200 117.951 2.249 1
1 240 . 3 1 1 A 24 24 LEU H H 24 7.480 7.997 -0.517 1
1 241 . 3 1 1 A 24 24 LEU HA H 24 4.250 4.672 -0.422 1
1 248 . 3 1 1 A 24 24 LEU C C 24 174.000 175.493 -1.493 1
1 249 . 3 1 1 A 24 24 LEU CA C 24 52.990 53.446 -0.456 1
1 250 . 3 1 1 A 24 24 LEU CB C 24 44.740 44.884 -0.144 1
1 253 . 3 1 1 A 24 24 LEU N N 24 116.660 118.765 -2.105 1
1 254 . 3 1 1 A 25 25 HIS H H 25 8.280 8.022 0.258 1
1 255 . 3 1 1 A 25 25 HIS HA H 25 4.570 5.190 -0.620 1
1 259 . 3 1 1 A 25 25 HIS C C 25 173.400 173.094 0.306 1
1 260 . 3 1 1 A 25 25 HIS CA C 25 54.370 53.662 0.708 1
1 261 . 3 1 1 A 25 25 HIS CB C 25 32.150 32.443 -0.293 1
1 263 . 3 1 1 A 25 25 HIS N N 25 115.300 117.831 -2.531 1
1 264 . 3 1 1 A 26 26 ALA H H 26 8.900 8.579 0.321 1
1 265 . 3 1 1 A 26 26 ALA HA H 26 3.730 3.792 -0.062 1
1 269 . 3 1 1 A 26 26 ALA C C 26 178.500 178.157 0.343 1
1 270 . 3 1 1 A 26 26 ALA CA C 26 53.740 53.585 0.155 1
1 271 . 3 1 1 A 26 26 ALA CB C 26 18.400 18.733 -0.333 1
1 272 . 3 1 1 A 26 26 ALA N N 26 124.340 123.837 0.503 1
1 273 . 3 1 1 A 27 27 GLY H H 27 9.430 8.877 0.553 1
1 274 . 3 1 1 A 27 27 GLY HA2 H 27 4.500 3.948 0.552 1
1 275 . 3 1 1 A 27 27 GLY HA3 H 27 3.620 4.027 -0.407 1
1 276 . 3 1 1 A 27 27 GLY C C 27 174.500 173.934 0.566 1
1 277 . 3 1 1 A 27 27 GLY CA C 27 44.900 44.985 -0.085 1
1 278 . 3 1 1 A 27 27 GLY N N 27 113.020 110.292 2.728 1
1 279 . 3 1 1 A 28 28 ASP H H 28 8.150 7.403 0.747 1
1 280 . 3 1 1 A 28 28 ASP HA H 28 5.000 4.591 0.409 1
1 282 . 3 1 1 A 28 28 ASP C C 28 173.800 175.093 -1.293 1
1 283 . 3 1 1 A 28 28 ASP CA C 28 55.510 53.937 1.573 1
1 284 . 3 1 1 A 28 28 ASP CB C 28 41.190 40.190 1.000 1
1 285 . 3 1 1 A 28 28 ASP N N 28 121.760 121.111 0.649 1
1 286 . 3 1 1 A 29 29 LEU H H 29 8.000 9.090 -1.090 1
1 287 . 3 1 1 A 29 29 LEU HA H 29 4.640 4.907 -0.267 1
1 294 . 3 1 1 A 29 29 LEU C C 29 176.300 176.179 0.121 1
1 295 . 3 1 1 A 29 29 LEU CA C 29 53.120 53.353 -0.233 1
1 296 . 3 1 1 A 29 29 LEU CB C 29 45.320 42.376 2.944 1
1 299 . 3 1 1 A 29 29 LEU N N 29 122.000 125.744 -3.744 1
1 300 . 3 1 1 A 30 30 ILE H H 30 9.210 8.693 0.517 1
1 301 . 3 1 1 A 30 30 ILE HA H 30 4.360 4.198 0.162 1
1 310 . 3 1 1 A 30 30 ILE C C 30 175.800 177.732 -1.932 1
1 311 . 3 1 1 A 30 30 ILE CA C 30 61.200 61.653 -0.453 1
1 312 . 3 1 1 A 30 30 ILE CB C 30 38.080 37.280 0.800 1
1 316 . 3 1 1 A 30 30 ILE N N 30 126.210 126.030 0.180 1
1 317 . 3 1 1 A 31 31 THR H H 31 8.790 8.909 -0.119 1
1 318 . 3 1 1 A 31 31 THR HA H 31 4.230 4.358 -0.128 1
1 323 . 3 1 1 A 31 31 THR C C 31 175.900 174.433 1.467 1
1 324 . 3 1 1 A 31 31 THR CA C 31 62.260 63.740 -1.480 1
1 325 . 3 1 1 A 31 31 THR CB C 31 69.320 69.111 0.209 1
1 327 . 3 1 1 A 31 31 THR N N 31 117.100 119.778 -2.678 1
1 328 . 3 1 1 A 32 32 GLU H H 32 7.790 7.756 0.034 1
1 329 . 3 1 1 A 32 32 GLU HA H 32 5.080 4.825 0.255 1
1 333 . 3 1 1 A 32 32 GLU C C 32 174.700 174.607 0.093 1
1 334 . 3 1 1 A 32 32 GLU CA C 32 55.870 55.417 0.453 1
1 335 . 3 1 1 A 32 32 GLU CB C 32 35.300 33.227 2.073 1
1 337 . 3 1 1 A 32 32 GLU N N 32 120.420 117.495 2.925 1
1 338 . 3 1 1 A 33 33 ILE H H 33 8.770 8.577 0.193 1
1 339 . 3 1 1 A 33 33 ILE HA H 33 5.220 4.409 0.811 1
1 348 . 3 1 1 A 33 33 ILE C C 33 174.200 175.917 -1.717 1
1 349 . 3 1 1 A 33 33 ILE CA C 33 59.380 59.892 -0.512 1
1 350 . 3 1 1 A 33 33 ILE CB C 33 41.120 40.077 1.043 1
1 354 . 3 1 1 A 33 33 ILE N N 33 119.470 121.941 -2.471 1
1 355 . 3 1 1 A 34 34 ASP H H 34 10.100 8.906 1.194 1
1 356 . 3 1 1 A 34 34 ASP HA H 34 4.430 4.251 0.179 1
1 359 . 3 1 1 A 34 34 ASP C C 34 176.200 175.452 0.748 1
1 360 . 3 1 1 A 34 34 ASP CA C 34 55.530 55.033 0.497 1
1 361 . 3 1 1 A 34 34 ASP CB C 34 39.000 39.797 -0.797 1
1 362 . 3 1 1 A 34 34 ASP N N 34 128.840 127.847 0.993 1
1 363 . 3 1 1 A 35 35 GLY H H 35 8.860 8.634 0.226 1
1 364 . 3 1 1 A 35 35 GLY HA2 H 35 3.630 3.832 -0.202 1
1 365 . 3 1 1 A 35 35 GLY HA3 H 35 3.970 3.861 0.109 1
1 366 . 3 1 1 A 35 35 GLY C C 35 173.900 174.260 -0.360 1
1 367 . 3 1 1 A 35 35 GLY CA C 35 45.580 45.623 -0.043 1
1 368 . 3 1 1 A 35 35 GLY N N 35 103.110 104.631 -1.521 1
1 369 . 3 1 1 A 36 36 GLN H H 36 8.070 8.507 -0.437 1
1 370 . 3 1 1 A 36 36 GLN HA H 36 4.240 4.992 -0.752 1
1 374 . 3 1 1 A 36 36 GLN C C 36 174.200 175.032 -0.832 1
1 375 . 3 1 1 A 36 36 GLN CA C 36 54.250 53.858 0.392 1
1 376 . 3 1 1 A 36 36 GLN CB C 36 30.870 32.163 -1.293 1
1 378 . 3 1 1 A 36 36 GLN N N 36 119.670 119.954 -0.284 1
1 379 . 3 1 1 A 37 37 SER H H 37 8.290 8.696 -0.406 1
1 380 . 3 1 1 A 37 37 SER HA H 37 3.750 4.024 -0.274 1
1 382 . 3 1 1 A 37 37 SER C C 37 173.500 174.657 -1.157 1
1 383 . 3 1 1 A 37 37 SER CA C 37 56.280 58.827 -2.547 1
1 384 . 3 1 1 A 37 37 SER CB C 37 63.630 60.710 2.920 1
1 385 . 3 1 1 A 37 37 SER N N 37 118.770 117.561 1.209 1
1 386 . 3 1 1 A 38 38 PHE H H 38 6.960 7.691 -0.731 1
1 387 . 3 1 1 A 38 38 PHE HA H 38 3.090 4.823 -1.733 1
1 391 . 3 1 1 A 38 38 PHE C C 38 175.600 176.041 -0.441 1
1 392 . 3 1 1 A 38 38 PHE CA C 38 56.590 56.897 -0.307 1
1 393 . 3 1 1 A 38 38 PHE CB C 38 40.910 40.857 0.053 1
1 396 . 3 1 1 A 38 38 PHE N N 38 120.740 119.798 0.942 1
1 397 . 3 1 1 A 39 39 LYS H H 39 8.740 7.902 0.838 1
1 398 . 3 1 1 A 39 39 LYS HA H 39 4.160 3.538 0.622 1
1 402 . 3 1 1 A 39 39 LYS C C 39 175.500 175.642 -0.142 1
1 403 . 3 1 1 A 39 39 LYS CA C 39 56.500 56.389 0.111 1
1 404 . 3 1 1 A 39 39 LYS CB C 39 33.210 32.529 0.681 1
1 408 . 3 1 1 A 39 39 LYS N N 39 118.100 117.816 0.284 1
1 409 . 3 1 1 A 40 40 SER H H 40 7.480 7.551 -0.071 1
1 410 . 3 1 1 A 40 40 SER HA H 40 3.830 4.696 -0.866 1
1 412 . 3 1 1 A 40 40 SER C C 40 174.800 173.606 1.194 1
1 413 . 3 1 1 A 40 40 SER CA C 40 56.380 57.130 -0.750 1
1 414 . 3 1 1 A 40 40 SER CB C 40 66.790 64.879 1.911 1
1 415 . 3 1 1 A 40 40 SER N N 40 111.180 113.770 -2.590 1
1 416 . 3 1 1 A 41 41 SER H H 41 10.310 9.107 1.203 1
1 417 . 3 1 1 A 41 41 SER HA H 41 3.780 4.167 -0.387 1
1 419 . 3 1 1 A 41 41 SER C C 41 176.300 176.404 -0.104 1
1 420 . 3 1 1 A 41 41 SER CA C 41 62.530 62.087 0.443 1
1 421 . 3 1 1 A 41 41 SER CB C 41 66.770 62.836 3.934 1
1 422 . 3 1 1 A 41 41 SER N N 41 121.470 120.867 0.603 1
1 423 . 3 1 1 A 42 42 GLN H H 42 8.510 7.820 0.690 1
1 424 . 3 1 1 A 42 42 GLN HA H 42 3.830 4.015 -0.185 1
1 426 . 3 1 1 A 42 42 GLN C C 42 177.300 178.073 -0.773 1
1 427 . 3 1 1 A 42 42 GLN CA C 42 58.480 59.244 -0.764 1
1 428 . 3 1 1 A 42 42 GLN CB C 42 28.450 28.431 0.019 1
1 430 . 3 1 1 A 42 42 GLN N N 42 121.500 121.412 0.088 1
1 431 . 3 1 1 A 43 43 GLU H H 43 7.470 8.282 -0.812 1
1 432 . 3 1 1 A 43 43 GLU HA H 43 3.840 4.050 -0.210 1
1 434 . 3 1 1 A 43 43 GLU C C 43 179.200 179.002 0.198 1
1 435 . 3 1 1 A 43 43 GLU CA C 43 59.110 58.992 0.118 1
1 436 . 3 1 1 A 43 43 GLU CB C 43 29.990 29.500 0.490 1
1 438 . 3 1 1 A 43 43 GLU N N 43 116.740 119.186 -2.446 1
1 439 . 3 1 1 A 44 44 PHE H H 44 7.320 8.060 -0.740 1
1 440 . 3 1 1 A 44 44 PHE HA H 44 3.630 4.175 -0.545 1
1 444 . 3 1 1 A 44 44 PHE C C 44 176.800 176.954 -0.154 1
1 445 . 3 1 1 A 44 44 PHE CA C 44 62.270 61.291 0.979 1
1 446 . 3 1 1 A 44 44 PHE CB C 44 39.920 39.057 0.863 1
1 449 . 3 1 1 A 44 44 PHE N N 44 118.660 122.310 -3.650 1
1 450 . 3 1 1 A 45 45 ILE H H 45 8.120 8.170 -0.050 1
1 451 . 3 1 1 A 45 45 ILE HA H 45 3.390 3.701 -0.311 1
1 461 . 3 1 1 A 45 45 ILE C C 45 177.600 177.583 0.017 1
1 462 . 3 1 1 A 45 45 ILE CA C 45 64.000 64.429 -0.429 1
1 463 . 3 1 1 A 45 45 ILE CB C 45 37.440 37.318 0.122 1
1 467 . 3 1 1 A 45 45 ILE N N 45 119.470 120.694 -1.224 1
1 468 . 3 1 1 A 46 46 ASP H H 46 8.590 8.150 0.440 1
1 469 . 3 1 1 A 46 46 ASP HA H 46 4.180 4.394 -0.214 1
1 471 . 3 1 1 A 46 46 ASP C C 46 178.900 177.924 0.976 1
1 472 . 3 1 1 A 46 46 ASP CA C 46 57.000 57.197 -0.197 1
1 473 . 3 1 1 A 46 46 ASP CB C 46 39.350 40.844 -1.494 1
1 474 . 3 1 1 A 46 46 ASP N N 46 119.870 121.944 -2.074 1
1 475 . 3 1 1 A 47 47 TYR H H 47 7.530 7.754 -0.224 1
1 476 . 3 1 1 A 47 47 TYR HA H 47 4.090 4.103 -0.013 1
1 480 . 3 1 1 A 47 47 TYR C C 47 179.500 176.868 2.632 1
1 481 . 3 1 1 A 47 47 TYR CA C 47 61.960 61.294 0.666 1
1 482 . 3 1 1 A 47 47 TYR CB C 47 38.350 38.440 -0.090 1
1 485 . 3 1 1 A 47 47 TYR N N 47 120.170 121.128 -0.958 1
1 486 . 3 1 1 A 48 48 ILE H H 48 8.020 7.823 0.197 1
1 487 . 3 1 1 A 48 48 ILE HA H 48 3.200 3.435 -0.235 1
1 497 . 3 1 1 A 48 48 ILE C C 48 177.000 177.907 -0.907 1
1 498 . 3 1 1 A 48 48 ILE CA C 48 65.450 65.511 -0.061 1
1 499 . 3 1 1 A 48 48 ILE CB C 48 36.770 37.688 -0.918 1
1 503 . 3 1 1 A 48 48 ILE N N 48 122.120 120.470 1.650 1
1 504 . 3 1 1 A 49 49 HIS H H 49 8.250 7.336 0.914 1
1 505 . 3 1 1 A 49 49 HIS HA H 49 4.490 4.352 0.138 1
1 507 . 3 1 1 A 49 49 HIS C C 49 174.300 176.236 -1.936 1
1 508 . 3 1 1 A 49 49 HIS CA C 49 55.550 59.270 -3.720 1
1 509 . 3 1 1 A 49 49 HIS CB C 49 28.650 29.445 -0.795 1
1 510 . 3 1 1 A 49 49 HIS N N 49 112.280 118.582 -6.302 1
1 511 . 3 1 1 A 50 50 SER H H 50 7.700 7.146 0.554 1
1 512 . 3 1 1 A 50 50 SER HA H 50 3.970 4.424 -0.454 1
1 514 . 3 1 1 A 50 50 SER C C 50 174.300 172.765 1.535 1
1 515 . 3 1 1 A 50 50 SER CA C 50 59.300 57.112 2.188 1
1 516 . 3 1 1 A 50 50 SER CB C 50 63.840 62.144 1.696 1
1 517 . 3 1 1 A 50 50 SER N N 50 115.110 112.591 2.519 1
1 518 . 3 1 1 A 51 51 LYS H H 51 7.060 7.482 -0.422 1
1 519 . 3 1 1 A 51 51 LYS HA H 51 4.320 4.855 -0.535 1
1 527 . 3 1 1 A 51 51 LYS C C 51 173.100 174.851 -1.751 1
1 528 . 3 1 1 A 51 51 LYS CA C 51 53.730 54.681 -0.951 1
1 529 . 3 1 1 A 51 51 LYS CB C 51 31.350 36.697 -5.347 1
1 533 . 3 1 1 A 51 51 LYS N N 51 123.340 121.229 2.111 1
1 534 . 3 1 1 A 52 52 LYS H H 52 8.250 8.038 0.212 1
1 535 . 3 1 1 A 52 52 LYS HA H 52 4.610 4.931 -0.321 1
1 540 . 3 1 1 A 52 52 LYS C C 52 177.000 176.129 0.871 1
1 541 . 3 1 1 A 52 52 LYS CA C 52 54.060 54.152 -0.092 1
1 542 . 3 1 1 A 52 52 LYS CB C 52 34.900 36.000 -1.100 1
1 546 . 3 1 1 A 52 52 LYS N N 52 115.990 120.083 -4.093 1
1 547 . 3 1 1 A 53 53 VAL H H 53 8.520 8.591 -0.071 1
1 548 . 3 1 1 A 53 53 VAL HA H 53 3.050 3.495 -0.445 1
1 556 . 3 1 1 A 53 53 VAL C C 53 177.200 177.022 0.178 1
1 557 . 3 1 1 A 53 53 VAL CA C 53 66.270 66.146 0.124 1
1 558 . 3 1 1 A 53 53 VAL CB C 53 31.290 31.435 -0.145 1
1 561 . 3 1 1 A 53 53 VAL N N 53 120.780 122.523 -1.743 1
1 562 . 3 1 1 A 54 54 GLY H H 54 8.310 8.887 -0.577 1
1 563 . 3 1 1 A 54 54 GLY HA2 H 54 3.520 4.034 -0.514 1
1 564 . 3 1 1 A 54 54 GLY HA3 H 54 4.520 4.037 0.483 1
1 565 . 3 1 1 A 54 54 GLY C C 54 174.500 173.859 0.641 1
1 566 . 3 1 1 A 54 54 GLY CA C 54 45.010 44.901 0.109 1
1 567 . 3 1 1 A 54 54 GLY N N 54 116.140 115.963 0.177 1
1 568 . 3 1 1 A 55 55 ASP H H 55 8.110 7.852 0.258 1
1 569 . 3 1 1 A 55 55 ASP HA H 55 4.710 4.679 0.031 1
1 572 . 3 1 1 A 55 55 ASP C C 55 175.000 176.850 -1.850 1
1 573 . 3 1 1 A 55 55 ASP CA C 55 54.950 55.225 -0.275 1
1 574 . 3 1 1 A 55 55 ASP CB C 55 41.300 41.621 -0.321 1
1 575 . 3 1 1 A 55 55 ASP N N 55 121.670 122.121 -0.451 1
1 576 . 3 1 1 A 56 56 THR H H 56 8.670 8.407 0.263 1
1 577 . 3 1 1 A 56 56 THR HA H 56 3.920 5.100 -1.180 1
1 582 . 3 1 1 A 56 56 THR C C 56 175.200 173.675 1.525 1
1 583 . 3 1 1 A 56 56 THR CA C 56 62.350 60.256 2.094 1
1 584 . 3 1 1 A 56 56 THR CB C 56 70.380 70.856 -0.476 1
1 586 . 3 1 1 A 56 56 THR N N 56 115.670 113.337 2.333 1
1 587 . 3 1 1 A 57 57 VAL H H 57 8.990 8.788 0.202 1
1 588 . 3 1 1 A 57 57 VAL HA H 57 5.190 4.952 0.238 1
1 596 . 3 1 1 A 57 57 VAL C C 57 173.900 174.234 -0.334 1
1 597 . 3 1 1 A 57 57 VAL CA C 57 58.570 59.815 -1.245 1
1 598 . 3 1 1 A 57 57 VAL CB C 57 34.480 36.031 -1.551 1
1 601 . 3 1 1 A 57 57 VAL N N 57 119.230 121.287 -2.057 1
1 602 . 3 1 1 A 58 58 LYS H H 58 9.000 8.585 0.415 1
1 603 . 3 1 1 A 58 58 LYS HA H 58 5.170 4.916 0.254 1
1 608 . 3 1 1 A 58 58 LYS C C 58 176.400 175.491 0.909 1
1 609 . 3 1 1 A 58 58 LYS CA C 58 54.990 55.511 -0.521 1
1 610 . 3 1 1 A 58 58 LYS CB C 58 33.510 33.582 -0.072 1
1 614 . 3 1 1 A 58 58 LYS N N 58 123.700 125.878 -2.178 1
1 615 . 3 1 1 A 59 59 ILE H H 59 9.460 9.150 0.310 1
1 616 . 3 1 1 A 59 59 ILE HA H 59 5.100 4.993 0.107 1
1 626 . 3 1 1 A 59 59 ILE C C 59 175.100 175.097 0.003 1
1 627 . 3 1 1 A 59 59 ILE CA C 59 59.940 59.728 0.212 1
1 628 . 3 1 1 A 59 59 ILE CB C 59 41.740 40.587 1.153 1
1 632 . 3 1 1 A 59 59 ILE N N 59 125.190 125.427 -0.237 1
1 633 . 3 1 1 A 60 60 LYS H H 60 8.780 9.117 -0.337 1
1 634 . 3 1 1 A 60 60 LYS HA H 60 5.210 5.074 0.136 1
1 639 . 3 1 1 A 60 60 LYS C C 60 175.000 174.742 0.258 1
1 640 . 3 1 1 A 60 60 LYS CA C 60 55.910 54.625 1.285 1
1 641 . 3 1 1 A 60 60 LYS CB C 60 34.340 35.389 -1.049 1
1 645 . 3 1 1 A 60 60 LYS N N 60 126.140 124.819 1.321 1
1 646 . 3 1 1 A 61 61 TYR H H 61 8.660 8.433 0.227 1
1 647 . 3 1 1 A 61 61 TYR HA H 61 5.680 5.336 0.344 1
1 651 . 3 1 1 A 61 61 TYR CA C 61 55.090 55.701 -0.611 1
1 652 . 3 1 1 A 61 61 TYR CB C 61 41.640 41.959 -0.319 1
1 655 . 3 1 1 A 61 61 TYR N N 61 120.100 118.684 1.416 1
1 656 . 3 1 1 A 62 62 LYS H H 62 9.590 8.372 1.218 1
1 657 . 3 1 1 A 62 62 LYS C C 62 172.100 174.913 -2.813 1
1 658 . 3 1 1 A 62 62 LYS CA C 62 54.820 54.960 -0.140 1
1 659 . 3 1 1 A 62 62 LYS CB C 62 35.540 34.474 1.066 1
1 660 . 3 1 1 A 62 62 LYS N N 62 120.730 120.575 0.155 1
1 661 . 3 1 1 A 63 63 HIS H H 63 8.570 8.587 -0.017 1
1 662 . 3 1 1 A 63 63 HIS HA H 63 5.240 4.951 0.289 1
1 665 . 3 1 1 A 63 63 HIS C C 63 175.200 175.309 -0.109 1
1 666 . 3 1 1 A 63 63 HIS CA C 63 54.100 56.054 -1.954 1
1 667 . 3 1 1 A 63 63 HIS CB C 63 30.300 31.956 -1.656 1
1 668 . 3 1 1 A 63 63 HIS N N 63 123.800 124.870 -1.070 1
1 669 . 3 1 1 A 64 64 GLY H H 64 9.080 8.657 0.423 1
1 670 . 3 1 1 A 64 64 GLY HA2 H 64 3.730 3.542 0.188 1
1 671 . 3 1 1 A 64 64 GLY C C 64 174.200 174.655 -0.455 1
1 672 . 3 1 1 A 64 64 GLY CA C 64 47.090 47.174 -0.084 1
1 673 . 3 1 1 A 64 64 GLY N N 64 119.110 115.723 3.387 1
1 674 . 3 1 1 A 65 65 ASN H H 65 8.770 8.606 0.164 1
1 675 . 3 1 1 A 65 65 ASN HA H 65 4.650 4.821 -0.171 1
1 677 . 3 1 1 A 65 65 ASN C C 65 174.600 174.468 0.132 1
1 678 . 3 1 1 A 65 65 ASN CA C 65 53.080 52.851 0.229 1
1 679 . 3 1 1 A 65 65 ASN CB C 65 38.700 39.064 -0.364 1
1 680 . 3 1 1 A 65 65 ASN N N 65 122.390 124.729 -2.339 1
1 681 . 3 1 1 A 66 66 LYS H H 66 7.830 7.586 0.244 1
1 682 . 3 1 1 A 66 66 LYS HA H 66 4.470 4.881 -0.411 1
1 686 . 3 1 1 A 66 66 LYS C C 66 174.900 175.207 -0.307 1
1 687 . 3 1 1 A 66 66 LYS CA C 66 55.490 54.920 0.570 1
1 688 . 3 1 1 A 66 66 LYS CB C 66 34.670 34.906 -0.236 1
1 692 . 3 1 1 A 66 66 LYS N N 66 120.640 116.736 3.904 1
1 693 . 3 1 1 A 67 67 ASN H H 67 8.570 8.753 -0.183 1
1 694 . 3 1 1 A 67 67 ASN HA H 67 4.860 4.951 -0.091 1
1 696 . 3 1 1 A 67 67 ASN C C 67 174.700 175.633 -0.933 1
1 697 . 3 1 1 A 67 67 ASN CA C 67 53.680 53.152 0.528 1
1 698 . 3 1 1 A 67 67 ASN CB C 67 39.050 38.957 0.093 1
1 699 . 3 1 1 A 67 67 ASN N N 67 123.400 123.903 -0.503 1
1 700 . 3 1 1 A 68 68 GLU H H 68 8.970 8.265 0.705 1
1 701 . 3 1 1 A 68 68 GLU HA H 68 4.630 5.173 -0.543 1
1 704 . 3 1 1 A 68 68 GLU C C 68 174.500 174.872 -0.372 1
1 705 . 3 1 1 A 68 68 GLU CA C 68 54.130 54.450 -0.320 1
1 706 . 3 1 1 A 68 68 GLU CB C 68 32.450 33.544 -1.094 1
1 708 . 3 1 1 A 68 68 GLU N N 68 123.040 122.998 0.042 1
1 709 . 3 1 1 A 69 69 GLU H H 69 8.440 8.922 -0.482 1
1 710 . 3 1 1 A 69 69 GLU HA H 69 5.500 5.100 0.400 1
1 713 . 3 1 1 A 69 69 GLU C C 69 175.000 174.607 0.393 1
1 714 . 3 1 1 A 69 69 GLU CA C 69 55.010 54.604 0.406 1
1 715 . 3 1 1 A 69 69 GLU CB C 69 33.200 33.344 -0.144 1
1 717 . 3 1 1 A 69 69 GLU N N 69 118.940 120.204 -1.264 1
1 718 . 3 1 1 A 70 70 ALA H H 70 9.140 8.041 1.099 1
1 719 . 3 1 1 A 70 70 ALA HA H 70 4.840 4.882 -0.042 1
1 723 . 3 1 1 A 70 70 ALA C C 70 175.500 175.601 -0.101 1
1 724 . 3 1 1 A 70 70 ALA CA C 70 51.720 51.732 -0.012 1
1 725 . 3 1 1 A 70 70 ALA CB C 70 23.780 22.992 0.788 1
1 726 . 3 1 1 A 70 70 ALA N N 70 124.420 122.033 2.387 1
1 727 . 3 1 1 A 71 71 SER H H 71 8.640 8.934 -0.294 1
1 728 . 3 1 1 A 71 71 SER HA H 71 5.480 4.941 0.539 1
1 731 . 3 1 1 A 71 71 SER C C 71 173.900 174.165 -0.265 1
1 732 . 3 1 1 A 71 71 SER CA C 71 57.470 57.727 -0.257 1
1 733 . 3 1 1 A 71 71 SER CB C 71 63.760 64.130 -0.370 1
1 734 . 3 1 1 A 71 71 SER N N 71 118.040 117.532 0.508 1
1 735 . 3 1 1 A 72 72 ILE H H 72 9.100 8.866 0.234 1
1 736 . 3 1 1 A 72 72 ILE HA H 72 4.340 4.966 -0.626 1
1 746 . 3 1 1 A 72 72 ILE C C 72 173.500 174.541 -1.041 1
1 747 . 3 1 1 A 72 72 ILE CA C 72 60.140 58.684 1.456 1
1 748 . 3 1 1 A 72 72 ILE CB C 72 41.920 41.929 -0.009 1
1 752 . 3 1 1 A 72 72 ILE N N 72 124.670 119.638 5.032 1
1 753 . 3 1 1 A 73 73 LYS H H 73 8.530 8.547 -0.017 1
1 754 . 3 1 1 A 73 73 LYS HA H 73 4.810 4.527 0.283 1
1 759 . 3 1 1 A 73 73 LYS C C 73 176.000 177.151 -1.151 1
1 760 . 3 1 1 A 73 73 LYS CA C 73 55.630 55.795 -0.165 1
1 761 . 3 1 1 A 73 73 LYS CB C 73 33.440 33.740 -0.300 1
1 765 . 3 1 1 A 73 73 LYS N N 73 128.060 124.365 3.695 1
1 766 . 3 1 1 A 74 74 LEU H H 74 8.900 8.116 0.784 1
1 767 . 3 1 1 A 74 74 LEU HA H 74 4.230 4.407 -0.177 1
1 774 . 3 1 1 A 74 74 LEU C C 74 178.400 176.301 2.099 1
1 775 . 3 1 1 A 74 74 LEU CA C 74 55.520 55.087 0.433 1
1 776 . 3 1 1 A 74 74 LEU CB C 74 42.240 42.467 -0.227 1
1 779 . 3 1 1 A 74 74 LEU N N 74 123.270 125.354 -2.084 1
1 780 . 3 1 1 A 75 75 THR H H 75 8.550 8.402 0.148 1
1 781 . 3 1 1 A 75 75 THR HA H 75 4.680 5.116 -0.436 1
1 786 . 3 1 1 A 75 75 THR C C 75 172.600 172.865 -0.265 1
1 787 . 3 1 1 A 75 75 THR CA C 75 59.400 59.291 0.109 1
1 788 . 3 1 1 A 75 75 THR CB C 75 71.300 72.301 -1.001 1
1 790 . 3 1 1 A 75 75 THR N N 75 116.480 113.576 2.904 1
1 791 . 3 1 1 A 76 76 ALA H H 76 8.360 8.652 -0.292 1
1 792 . 3 1 1 A 76 76 ALA HA H 76 4.490 4.490 0.000 1
1 796 . 3 1 1 A 76 76 ALA C C 76 179.100 178.226 0.874 1
1 797 . 3 1 1 A 76 76 ALA CA C 76 51.730 52.242 -0.512 1
1 798 . 3 1 1 A 76 76 ALA CB C 76 18.930 18.839 0.091 1
1 799 . 3 1 1 A 76 76 ALA N N 76 123.400 124.763 -1.363 1
1 800 . 3 1 1 A 77 77 ILE H H 77 8.850 8.879 -0.029 1
1 801 . 3 1 1 A 77 77 ILE HA H 77 4.370 4.347 0.023 1
1 811 . 3 1 1 A 77 77 ILE C C 77 174.900 175.126 -0.226 1
1 812 . 3 1 1 A 77 77 ILE CA C 77 59.850 62.129 -2.279 1
1 813 . 3 1 1 A 77 77 ILE CB C 77 39.200 38.959 0.241 1
1 817 . 3 1 1 A 77 77 ILE N N 77 118.310 119.009 -0.699 1
1 818 . 3 1 1 A 78 78 ASP H H 78 7.580 8.073 -0.493 1
1 819 . 3 1 1 A 78 78 ASP HA H 78 4.670 4.814 -0.144 1
1 822 . 3 1 1 A 78 78 ASP C C 78 177.300 177.563 -0.263 1
1 823 . 3 1 1 A 78 78 ASP CA C 78 52.500 52.536 -0.036 1
1 824 . 3 1 1 A 78 78 ASP CB C 78 42.100 42.878 -0.778 1
1 825 . 3 1 1 A 78 78 ASP N N 78 118.160 122.298 -4.138 1
1 826 . 3 1 1 A 79 79 LYS H H 79 8.380 8.954 -0.574 1
1 827 . 3 1 1 A 79 79 LYS HA H 79 4.200 4.068 0.132 1
1 832 . 3 1 1 A 79 79 LYS C C 79 177.200 177.317 -0.117 1
1 833 . 3 1 1 A 79 79 LYS CA C 79 57.620 59.060 -1.440 1
1 834 . 3 1 1 A 79 79 LYS CB C 79 31.940 31.980 -0.040 1
1 838 . 3 1 1 A 79 79 LYS N N 79 117.260 122.175 -4.915 1
1 839 . 3 1 1 A 80 80 LYS H H 80 7.900 7.818 0.082 1
1 840 . 3 1 1 A 80 80 LYS HA H 80 4.350 4.240 0.110 1
1 845 . 3 1 1 A 80 80 LYS C C 80 176.800 177.716 -0.916 1
1 846 . 3 1 1 A 80 80 LYS CA C 80 56.070 55.615 0.455 1
1 847 . 3 1 1 A 80 80 LYS CB C 80 32.430 31.478 0.952 1
1 851 . 3 1 1 A 80 80 LYS N N 80 118.240 116.086 2.154 1
1 852 . 3 1 1 A 81 81 GLY H H 81 7.850 7.726 0.124 1
1 853 . 3 1 1 A 81 81 GLY HA2 H 81 4.170 3.894 0.276 1
1 854 . 3 1 1 A 81 81 GLY HA3 H 81 3.520 3.898 -0.378 1
1 855 . 3 1 1 A 81 81 GLY C C 81 173.700 174.831 -1.131 1
1 856 . 3 1 1 A 81 81 GLY CA C 81 45.340 47.122 -1.782 1
1 857 . 3 1 1 A 81 81 GLY N N 81 107.740 109.145 -1.405 1
1 858 . 3 1 1 A 82 82 THR H H 82 8.760 8.115 0.645 1
1 859 . 3 1 1 A 82 82 THR HA H 82 4.060 4.376 -0.316 1
1 864 . 3 1 1 A 82 82 THR CA C 82 61.340 60.169 1.171 1
1 865 . 3 1 1 A 82 82 THR CB C 82 68.440 69.299 -0.859 1
1 867 . 3 1 1 A 82 82 THR N N 82 122.360 115.956 6.404 1
1 868 . 3 1 1 A 83 83 PRO HA H 83 4.760 4.386 0.374 1
1 874 . 3 1 1 A 83 83 PRO C C 83 177.100 176.563 0.537 1
1 875 . 3 1 1 A 83 83 PRO CA C 83 61.750 63.596 -1.846 1
1 876 . 3 1 1 A 83 83 PRO CB C 83 33.000 32.190 0.810 1
1 879 . 3 1 1 A 84 84 GLY H H 84 8.870 8.119 0.751 1
1 880 . 3 1 1 A 84 84 GLY HA2 H 84 4.140 4.326 -0.186 1
1 881 . 3 1 1 A 84 84 GLY C C 84 171.400 174.773 -3.373 1
1 882 . 3 1 1 A 84 84 GLY CA C 84 46.360 45.180 1.180 1
1 883 . 3 1 1 A 84 84 GLY N N 84 104.120 107.833 -3.713 1
1 884 . 3 1 1 A 85 85 ILE H H 85 8.920 8.633 0.287 1
1 885 . 3 1 1 A 85 85 ILE HA H 85 4.570 3.937 0.633 1
1 895 . 3 1 1 A 85 85 ILE C C 85 175.100 176.222 -1.122 1
1 896 . 3 1 1 A 85 85 ILE CA C 85 61.110 62.582 -1.472 1
1 897 . 3 1 1 A 85 85 ILE CB C 85 40.020 38.635 1.385 1
1 901 . 3 1 1 A 85 85 ILE N N 85 112.690 121.467 -8.777 1
1 902 . 3 1 1 A 86 86 GLY H H 86 8.980 8.693 0.287 1
1 903 . 3 1 1 A 86 86 GLY HA2 H 86 3.770 3.980 -0.210 1
1 904 . 3 1 1 A 86 86 GLY HA3 H 86 4.160 3.984 0.176 1
1 905 . 3 1 1 A 86 86 GLY C C 86 173.300 173.658 -0.358 1
1 906 . 3 1 1 A 86 86 GLY CA C 86 45.960 46.292 -0.332 1
1 907 . 3 1 1 A 86 86 GLY N N 86 112.050 108.750 3.300 1
1 908 . 3 1 1 A 87 87 ILE H H 87 7.290 7.555 -0.265 1
1 909 . 3 1 1 A 87 87 ILE HA H 87 5.170 5.023 0.147 1
1 918 . 3 1 1 A 87 87 ILE C C 87 174.800 174.365 0.435 1
1 919 . 3 1 1 A 87 87 ILE CA C 87 58.850 58.886 -0.036 1
1 920 . 3 1 1 A 87 87 ILE CB C 87 41.480 42.584 -1.104 1
1 924 . 3 1 1 A 87 87 ILE N N 87 110.880 114.070 -3.190 1
1 925 . 3 1 1 A 88 88 THR H H 88 8.350 8.496 -0.146 1
1 926 . 3 1 1 A 88 88 THR HA H 88 4.580 5.027 -0.447 1
1 931 . 3 1 1 A 88 88 THR C C 88 173.700 173.570 0.130 1
1 932 . 3 1 1 A 88 88 THR CA C 88 61.410 61.924 -0.514 1
1 933 . 3 1 1 A 88 88 THR CB C 88 70.570 71.089 -0.519 1
1 935 . 3 1 1 A 88 88 THR N N 88 116.050 116.951 -0.901 1
1 936 . 3 1 1 A 89 89 LEU H H 89 8.950 9.128 -0.178 1
1 937 . 3 1 1 A 89 89 LEU HA H 89 5.210 5.234 -0.024 1
1 944 . 3 1 1 A 89 89 LEU C C 89 176.000 175.926 0.074 1
1 945 . 3 1 1 A 89 89 LEU CA C 89 53.600 53.435 0.165 1
1 946 . 3 1 1 A 89 89 LEU CB C 89 44.840 43.863 0.977 1
1 949 . 3 1 1 A 89 89 LEU N N 89 126.710 127.263 -0.553 1
1 950 . 3 1 1 A 90 90 VAL H H 90 8.820 8.876 -0.056 1
1 951 . 3 1 1 A 90 90 VAL HA H 90 4.320 4.791 -0.471 1
1 956 . 3 1 1 A 90 90 VAL C C 90 174.600 174.409 0.191 1
1 957 . 3 1 1 A 90 90 VAL CA C 90 61.300 59.873 1.427 1
1 958 . 3 1 1 A 90 90 VAL CB C 90 34.850 34.696 0.154 1
1 961 . 3 1 1 A 90 90 VAL N N 90 117.740 122.690 -4.950 1
1 962 . 3 1 1 A 91 91 ASP H H 91 8.510 8.813 -0.303 1
1 963 . 3 1 1 A 91 91 ASP HA H 91 4.890 4.937 -0.047 1
1 965 . 3 1 1 A 91 91 ASP C C 91 176.000 175.317 0.683 1
1 966 . 3 1 1 A 91 91 ASP CA C 91 54.920 53.031 1.889 1
1 967 . 3 1 1 A 91 91 ASP CB C 91 41.590 41.531 0.059 1
1 968 . 3 1 1 A 91 91 ASP N N 91 123.890 125.779 -1.889 1
1 969 . 3 1 1 A 92 92 ASP H H 92 8.390 8.277 0.113 1
1 970 . 3 1 1 A 92 92 ASP HA H 92 4.730 4.306 0.424 1
1 972 . 3 1 1 A 92 92 ASP C C 92 175.800 175.723 0.077 1
1 973 . 3 1 1 A 92 92 ASP CA C 92 53.890 55.349 -1.459 1
1 974 . 3 1 1 A 92 92 ASP CB C 92 41.650 38.884 2.766 1
1 975 . 3 1 1 A 92 92 ASP N N 92 119.860 114.958 4.902 1
1 976 . 3 1 1 A 93 93 LEU H H 93 8.180 8.041 0.139 1
1 977 . 3 1 1 A 93 93 LEU HA H 93 4.130 3.938 0.192 1
1 983 . 3 1 1 A 93 93 LEU C C 93 177.700 176.652 1.048 1
1 984 . 3 1 1 A 93 93 LEU CA C 93 55.920 58.017 -2.097 1
1 985 . 3 1 1 A 93 93 LEU CB C 93 42.120 41.879 0.241 1
1 989 . 3 1 1 A 93 93 LEU N N 93 122.430 118.381 4.049 1
1 990 . 3 1 1 A 94 94 GLU H H 94 8.240 7.889 0.351 1
1 991 . 3 1 1 A 94 94 GLU HA H 94 4.070 4.010 0.060 1
1 995 . 3 1 1 A 94 94 GLU C C 94 176.500 176.056 0.444 1
1 996 . 3 1 1 A 94 94 GLU CA C 94 56.790 57.488 -0.698 1
1 997 . 3 1 1 A 94 94 GLU CB C 94 29.440 26.987 2.453 1
1 999 . 3 1 1 A 94 94 GLU N N 94 118.890 115.391 3.499 1
1 1000 . 3 1 1 A 95 95 HIS H H 95 8.250 8.283 -0.033 1
1 1001 . 3 1 1 A 95 95 HIS CA C 95 55.680 56.584 -0.904 1
1 1002 . 3 1 1 A 95 95 HIS CB C 95 28.300 30.347 -2.047 1
1 1003 . 3 1 1 A 95 95 HIS N N 95 117.130 117.103 0.027 1
1 1004 . 3 1 1 A 96 96 HIS H H 96 8.440 8.089 0.351 1
1 1005 . 3 1 1 A 96 96 HIS CA C 96 55.550 58.437 -2.887 1
1 1006 . 3 1 1 A 96 96 HIS CB C 96 28.830 29.176 -0.346 1
1 5 . 4 1 1 A 2 2 VAL HA H 2 3.810 3.628 0.182 1
1 10 . 4 1 1 A 2 2 VAL C C 2 171.900 176.814 -4.914 1
1 11 . 4 1 1 A 2 2 VAL CA C 2 61.200 67.290 -6.090 1
1 12 . 4 1 1 A 2 2 VAL CB C 2 32.900 31.658 1.242 1
1 14 . 4 1 1 A 3 3 LYS H H 3 8.620 7.753 0.867 1
1 15 . 4 1 1 A 3 3 LYS HA H 3 4.400 4.272 0.128 1
1 19 . 4 1 1 A 3 3 LYS C C 3 175.800 175.634 0.166 1
1 20 . 4 1 1 A 3 3 LYS CA C 3 56.240 56.422 -0.182 1
1 21 . 4 1 1 A 3 3 LYS CB C 3 33.190 33.332 -0.142 1
1 25 . 4 1 1 A 3 3 LYS N N 3 126.140 119.338 6.802 1
1 26 . 4 1 1 A 4 4 VAL H H 4 8.350 8.693 -0.343 1
1 30 . 4 1 1 A 4 4 VAL C C 4 175.600 175.619 -0.019 1
1 31 . 4 1 1 A 4 4 VAL CA C 4 62.200 61.435 0.765 1
1 32 . 4 1 1 A 4 4 VAL CB C 4 33.060 32.996 0.064 1
1 34 . 4 1 1 A 4 4 VAL N N 4 123.850 122.969 0.881 1
1 35 . 4 1 1 A 5 5 THR H H 5 8.100 8.362 -0.262 1
1 36 . 4 1 1 A 5 5 THR HA H 5 4.060 3.945 0.115 1
1 41 . 4 1 1 A 5 5 THR C C 5 173.400 174.810 -1.410 1
1 42 . 4 1 1 A 5 5 THR CA C 5 61.220 66.580 -5.360 1
1 43 . 4 1 1 A 5 5 THR CB C 5 70.100 68.729 1.371 1
1 45 . 4 1 1 A 5 5 THR N N 5 118.630 122.011 -3.381 1
1 46 . 4 1 1 A 6 6 TYR H H 6 8.300 7.555 0.745 1
1 51 . 4 1 1 A 6 6 TYR C C 6 175.400 175.026 0.374 1
1 52 . 4 1 1 A 6 6 TYR CA C 6 57.480 57.999 -0.519 1
1 53 . 4 1 1 A 6 6 TYR CB C 6 39.400 39.471 -0.071 1
1 56 . 4 1 1 A 6 6 TYR N N 6 123.230 119.061 4.169 1
1 57 . 4 1 1 A 7 7 ASP H H 7 8.560 9.282 -0.722 1
1 58 . 4 1 1 A 7 7 ASP HA H 7 4.670 5.214 -0.544 1
1 60 . 4 1 1 A 7 7 ASP C C 7 175.100 175.299 -0.199 1
1 61 . 4 1 1 A 7 7 ASP CA C 7 54.400 52.671 1.729 1
1 62 . 4 1 1 A 7 7 ASP CB C 7 41.250 44.709 -3.459 1
1 63 . 4 1 1 A 7 7 ASP N N 7 122.230 119.508 2.722 1
1 64 . 4 1 1 A 8 8 GLY H H 8 7.610 8.716 -1.106 1
1 65 . 4 1 1 A 8 8 GLY HA2 H 8 3.930 4.126 -0.196 1
1 66 . 4 1 1 A 8 8 GLY HA3 H 8 4.140 4.137 0.003 1
1 67 . 4 1 1 A 8 8 GLY C C 8 171.900 173.035 -1.135 1
1 68 . 4 1 1 A 8 8 GLY CA C 8 44.940 44.478 0.462 1
1 69 . 4 1 1 A 8 8 GLY N N 8 106.550 108.137 -1.587 1
1 70 . 4 1 1 A 9 9 VAL H H 9 8.050 8.282 -0.232 1
1 71 . 4 1 1 A 9 9 VAL HA H 9 4.520 5.022 -0.502 1
1 79 . 4 1 1 A 9 9 VAL C C 9 173.700 174.287 -0.587 1
1 80 . 4 1 1 A 9 9 VAL CA C 9 59.940 60.181 -0.241 1
1 81 . 4 1 1 A 9 9 VAL CB C 9 33.470 34.475 -1.005 1
1 84 . 4 1 1 A 9 9 VAL N N 9 115.200 117.301 -2.101 1
1 85 . 4 1 1 A 10 10 TYR H H 10 8.720 8.947 -0.227 1
1 89 . 4 1 1 A 10 10 TYR C C 10 175.700 175.551 0.149 1
1 90 . 4 1 1 A 10 10 TYR CA C 10 57.730 57.555 0.175 1
1 91 . 4 1 1 A 10 10 TYR CB C 10 41.210 39.804 1.406 1
1 94 . 4 1 1 A 10 10 TYR N N 10 122.700 124.935 -2.235 1
1 95 . 4 1 1 A 11 11 VAL H H 11 8.810 8.730 0.080 1
1 96 . 4 1 1 A 11 11 VAL HA H 11 3.880 4.170 -0.290 1
1 104 . 4 1 1 A 11 11 VAL C C 11 175.700 175.722 -0.022 1
1 105 . 4 1 1 A 11 11 VAL CA C 11 62.810 63.658 -0.848 1
1 106 . 4 1 1 A 11 11 VAL CB C 11 31.920 31.761 0.159 1
1 109 . 4 1 1 A 11 11 VAL N N 11 121.170 125.374 -4.204 1
1 110 . 4 1 1 A 12 12 LEU H H 12 9.390 9.373 0.017 1
1 111 . 4 1 1 A 12 12 LEU HA H 12 4.350 4.381 -0.031 1
1 120 . 4 1 1 A 12 12 LEU CA C 12 56.560 56.627 -0.067 1
1 121 . 4 1 1 A 12 12 LEU CB C 12 43.120 42.874 0.246 1
1 125 . 4 1 1 A 12 12 LEU N N 12 133.040 130.395 2.645 1
1 126 . 4 1 1 A 13 13 SER H H 13 7.490 7.717 -0.227 1
1 127 . 4 1 1 A 13 13 SER HA H 13 3.700 4.838 -1.138 1
1 129 . 4 1 1 A 13 13 SER C C 13 171.100 172.006 -0.906 1
1 130 . 4 1 1 A 13 13 SER CA C 13 56.890 57.777 -0.887 1
1 131 . 4 1 1 A 13 13 SER CB C 13 65.220 66.869 -1.649 1
1 132 . 4 1 1 A 13 13 SER N N 13 109.070 110.911 -1.841 1
1 133 . 4 1 1 A 14 14 VAL H H 14 8.380 8.848 -0.468 1
1 134 . 4 1 1 A 14 14 VAL HA H 14 4.360 4.423 -0.063 1
1 142 . 4 1 1 A 14 14 VAL C C 14 175.500 175.966 -0.466 1
1 143 . 4 1 1 A 14 14 VAL CA C 14 61.270 61.185 0.085 1
1 144 . 4 1 1 A 14 14 VAL CB C 14 34.620 34.094 0.526 1
1 147 . 4 1 1 A 14 14 VAL N N 14 121.190 123.403 -2.213 1
1 148 . 4 1 1 A 15 15 LYS H H 15 7.920 8.822 -0.902 1
1 149 . 4 1 1 A 15 15 LYS HA H 15 4.180 3.927 0.253 1
1 154 . 4 1 1 A 15 15 LYS C C 15 175.600 176.662 -1.062 1
1 155 . 4 1 1 A 15 15 LYS CA C 15 57.150 59.518 -2.368 1
1 156 . 4 1 1 A 15 15 LYS CB C 15 33.730 32.818 0.912 1
1 160 . 4 1 1 A 15 15 LYS N N 15 126.860 125.979 0.881 1
1 161 . 4 1 1 A 16 16 GLU H H 16 8.200 7.804 0.396 1
1 162 . 4 1 1 A 16 16 GLU HA H 16 4.240 4.093 0.147 1
1 165 . 4 1 1 A 16 16 GLU C C 16 177.000 174.762 2.238 1
1 166 . 4 1 1 A 16 16 GLU CA C 16 56.720 57.303 -0.583 1
1 167 . 4 1 1 A 16 16 GLU CB C 16 30.090 26.842 3.248 1
1 169 . 4 1 1 A 16 16 GLU N N 16 117.010 115.778 1.232 1
1 170 . 4 1 1 A 17 17 ASP H H 17 8.910 8.018 0.892 1
1 171 . 4 1 1 A 17 17 ASP HA H 17 4.420 4.829 -0.409 1
1 173 . 4 1 1 A 17 17 ASP C C 17 174.500 174.775 -0.275 1
1 174 . 4 1 1 A 17 17 ASP CA C 17 54.540 53.010 1.530 1
1 175 . 4 1 1 A 17 17 ASP CB C 17 38.700 41.722 -3.022 1
1 176 . 4 1 1 A 17 17 ASP N N 17 116.410 118.589 -2.179 1
1 177 . 4 1 1 A 18 18 VAL H H 18 6.670 7.351 -0.681 1
1 178 . 4 1 1 A 18 18 VAL HA H 18 4.840 4.711 0.129 1
1 183 . 4 1 1 A 18 18 VAL CA C 18 58.350 58.194 0.156 1
1 184 . 4 1 1 A 18 18 VAL CB C 18 32.330 34.190 -1.860 1
1 186 . 4 1 1 A 18 18 VAL N N 18 108.460 115.868 -7.408 1
1 187 . 4 1 1 A 19 19 PRO HA H 19 4.260 4.249 0.011 1
1 193 . 4 1 1 A 19 19 PRO C C 19 177.600 177.359 0.241 1
1 194 . 4 1 1 A 19 19 PRO CA C 19 65.900 64.712 1.188 1
1 195 . 4 1 1 A 19 19 PRO CB C 19 33.200 31.870 1.330 1
1 198 . 4 1 1 A 20 20 ALA H H 20 8.270 7.937 0.333 1
1 199 . 4 1 1 A 20 20 ALA HA H 20 3.930 4.043 -0.113 1
1 203 . 4 1 1 A 20 20 ALA C C 20 177.100 178.741 -1.641 1
1 204 . 4 1 1 A 20 20 ALA CA C 20 53.150 54.849 -1.699 1
1 205 . 4 1 1 A 20 20 ALA CB C 20 19.850 18.316 1.534 1
1 206 . 4 1 1 A 20 20 ALA N N 20 112.780 119.157 -6.377 1
1 207 . 4 1 1 A 21 21 ALA H H 21 7.880 7.933 -0.053 1
1 208 . 4 1 1 A 21 21 ALA HA H 21 4.040 3.918 0.122 1
1 212 . 4 1 1 A 21 21 ALA C C 21 178.500 178.445 0.055 1
1 213 . 4 1 1 A 21 21 ALA CA C 21 54.210 53.780 0.430 1
1 214 . 4 1 1 A 21 21 ALA CB C 21 18.010 18.328 -0.318 1
1 215 . 4 1 1 A 21 21 ALA N N 21 122.260 120.186 2.074 1
1 216 . 4 1 1 A 22 22 GLY H H 22 8.970 8.647 0.323 1
1 217 . 4 1 1 A 22 22 GLY HA2 H 22 4.120 3.981 0.139 1
1 218 . 4 1 1 A 22 22 GLY HA3 H 22 3.670 4.050 -0.380 1
1 219 . 4 1 1 A 22 22 GLY C C 22 173.300 173.687 -0.387 1
1 220 . 4 1 1 A 22 22 GLY CA C 22 45.210 45.291 -0.081 1
1 221 . 4 1 1 A 22 22 GLY N N 22 110.560 111.194 -0.634 1
1 222 . 4 1 1 A 23 23 ILE H H 23 7.700 7.750 -0.050 1
1 223 . 4 1 1 A 23 23 ILE HA H 23 3.950 4.286 -0.336 1
1 233 . 4 1 1 A 23 23 ILE C C 23 175.300 175.504 -0.204 1
1 234 . 4 1 1 A 23 23 ILE CA C 23 62.530 62.605 -0.075 1
1 235 . 4 1 1 A 23 23 ILE CB C 23 40.040 40.505 -0.465 1
1 239 . 4 1 1 A 23 23 ILE N N 23 120.200 117.855 2.345 1
1 240 . 4 1 1 A 24 24 LEU H H 24 7.480 7.265 0.215 1
1 241 . 4 1 1 A 24 24 LEU HA H 24 4.250 4.549 -0.299 1
1 248 . 4 1 1 A 24 24 LEU C C 24 174.000 174.824 -0.824 1
1 249 . 4 1 1 A 24 24 LEU CA C 24 52.990 52.893 0.097 1
1 250 . 4 1 1 A 24 24 LEU CB C 24 44.740 45.272 -0.532 1
1 253 . 4 1 1 A 24 24 LEU N N 24 116.660 118.419 -1.759 1
1 254 . 4 1 1 A 25 25 HIS H H 25 8.280 8.787 -0.507 1
1 255 . 4 1 1 A 25 25 HIS HA H 25 4.570 4.901 -0.331 1
1 259 . 4 1 1 A 25 25 HIS C C 25 173.400 174.473 -1.073 1
1 260 . 4 1 1 A 25 25 HIS CA C 25 54.370 54.305 0.065 1
1 261 . 4 1 1 A 25 25 HIS CB C 25 32.150 33.583 -1.433 1
1 263 . 4 1 1 A 25 25 HIS N N 25 115.300 119.631 -4.331 1
1 264 . 4 1 1 A 26 26 ALA H H 26 8.900 8.600 0.300 1
1 265 . 4 1 1 A 26 26 ALA HA H 26 3.730 3.814 -0.084 1
1 269 . 4 1 1 A 26 26 ALA C C 26 178.500 178.163 0.337 1
1 270 . 4 1 1 A 26 26 ALA CA C 26 53.740 53.645 0.095 1
1 271 . 4 1 1 A 26 26 ALA CB C 26 18.400 18.665 -0.265 1
1 272 . 4 1 1 A 26 26 ALA N N 26 124.340 124.420 -0.080 1
1 273 . 4 1 1 A 27 27 GLY H H 27 9.430 8.740 0.690 1
1 274 . 4 1 1 A 27 27 GLY HA2 H 27 4.500 3.153 1.347 1
1 275 . 4 1 1 A 27 27 GLY HA3 H 27 3.620 3.818 -0.198 1
1 276 . 4 1 1 A 27 27 GLY C C 27 174.500 173.895 0.605 1
1 277 . 4 1 1 A 27 27 GLY CA C 27 44.900 44.687 0.213 1
1 278 . 4 1 1 A 27 27 GLY N N 27 113.020 110.110 2.910 1
1 279 . 4 1 1 A 28 28 ASP H H 28 8.150 7.628 0.522 1
1 280 . 4 1 1 A 28 28 ASP HA H 28 5.000 4.705 0.295 1
1 282 . 4 1 1 A 28 28 ASP C C 28 173.800 175.538 -1.738 1
1 283 . 4 1 1 A 28 28 ASP CA C 28 55.510 54.938 0.572 1
1 284 . 4 1 1 A 28 28 ASP CB C 28 41.190 41.043 0.147 1
1 285 . 4 1 1 A 28 28 ASP N N 28 121.760 121.746 0.014 1
1 286 . 4 1 1 A 29 29 LEU H H 29 8.000 8.533 -0.533 1
1 287 . 4 1 1 A 29 29 LEU HA H 29 4.640 4.931 -0.291 1
1 294 . 4 1 1 A 29 29 LEU C C 29 176.300 176.037 0.263 1
1 295 . 4 1 1 A 29 29 LEU CA C 29 53.120 53.440 -0.320 1
1 296 . 4 1 1 A 29 29 LEU CB C 29 45.320 42.447 2.873 1
1 299 . 4 1 1 A 29 29 LEU N N 29 122.000 125.779 -3.779 1
1 300 . 4 1 1 A 30 30 ILE H H 30 9.210 8.923 0.287 1
1 301 . 4 1 1 A 30 30 ILE HA H 30 4.360 4.263 0.097 1
1 310 . 4 1 1 A 30 30 ILE C C 30 175.800 177.117 -1.317 1
1 311 . 4 1 1 A 30 30 ILE CA C 30 61.200 61.449 -0.249 1
1 312 . 4 1 1 A 30 30 ILE CB C 30 38.080 36.791 1.289 1
1 316 . 4 1 1 A 30 30 ILE N N 30 126.210 125.971 0.239 1
1 317 . 4 1 1 A 31 31 THR H H 31 8.790 8.620 0.170 1
1 318 . 4 1 1 A 31 31 THR HA H 31 4.230 4.480 -0.250 1
1 323 . 4 1 1 A 31 31 THR C C 31 175.900 174.636 1.264 1
1 324 . 4 1 1 A 31 31 THR CA C 31 62.260 62.379 -0.119 1
1 325 . 4 1 1 A 31 31 THR CB C 31 69.320 69.201 0.119 1
1 327 . 4 1 1 A 31 31 THR N N 31 117.100 119.711 -2.611 1
1 328 . 4 1 1 A 32 32 GLU H H 32 7.790 7.287 0.503 1
1 329 . 4 1 1 A 32 32 GLU HA H 32 5.080 4.742 0.338 1
1 333 . 4 1 1 A 32 32 GLU C C 32 174.700 174.116 0.584 1
1 334 . 4 1 1 A 32 32 GLU CA C 32 55.870 55.679 0.191 1
1 335 . 4 1 1 A 32 32 GLU CB C 32 35.300 33.325 1.975 1
1 337 . 4 1 1 A 32 32 GLU N N 32 120.420 119.876 0.544 1
1 338 . 4 1 1 A 33 33 ILE H H 33 8.770 8.599 0.171 1
1 339 . 4 1 1 A 33 33 ILE HA H 33 5.220 4.424 0.796 1
1 348 . 4 1 1 A 33 33 ILE C C 33 174.200 175.834 -1.634 1
1 349 . 4 1 1 A 33 33 ILE CA C 33 59.380 59.847 -0.467 1
1 350 . 4 1 1 A 33 33 ILE CB C 33 41.120 40.090 1.030 1
1 354 . 4 1 1 A 33 33 ILE N N 33 119.470 123.637 -4.167 1
1 355 . 4 1 1 A 34 34 ASP H H 34 10.100 9.026 1.074 1
1 356 . 4 1 1 A 34 34 ASP HA H 34 4.430 4.265 0.165 1
1 359 . 4 1 1 A 34 34 ASP C C 34 176.200 175.453 0.747 1
1 360 . 4 1 1 A 34 34 ASP CA C 34 55.530 54.998 0.532 1
1 361 . 4 1 1 A 34 34 ASP CB C 34 39.000 39.668 -0.668 1
1 362 . 4 1 1 A 34 34 ASP N N 34 128.840 127.819 1.021 1
1 363 . 4 1 1 A 35 35 GLY H H 35 8.860 8.625 0.235 1
1 364 . 4 1 1 A 35 35 GLY HA2 H 35 3.630 3.825 -0.195 1
1 365 . 4 1 1 A 35 35 GLY HA3 H 35 3.970 3.853 0.117 1
1 366 . 4 1 1 A 35 35 GLY C C 35 173.900 173.953 -0.053 1
1 367 . 4 1 1 A 35 35 GLY CA C 35 45.580 46.251 -0.671 1
1 368 . 4 1 1 A 35 35 GLY N N 35 103.110 104.930 -1.820 1
1 369 . 4 1 1 A 36 36 GLN H H 36 8.070 8.334 -0.264 1
1 370 . 4 1 1 A 36 36 GLN HA H 36 4.240 4.848 -0.608 1
1 374 . 4 1 1 A 36 36 GLN C C 36 174.200 175.583 -1.383 1
1 375 . 4 1 1 A 36 36 GLN CA C 36 54.250 53.955 0.295 1
1 376 . 4 1 1 A 36 36 GLN CB C 36 30.870 32.134 -1.264 1
1 378 . 4 1 1 A 36 36 GLN N N 36 119.670 120.194 -0.524 1
1 379 . 4 1 1 A 37 37 SER H H 37 8.290 8.998 -0.708 1
1 380 . 4 1 1 A 37 37 SER HA H 37 3.750 3.956 -0.206 1
1 382 . 4 1 1 A 37 37 SER C C 37 173.500 173.542 -0.042 1
1 383 . 4 1 1 A 37 37 SER CA C 37 56.280 59.798 -3.518 1
1 384 . 4 1 1 A 37 37 SER CB C 37 63.630 62.739 0.891 1
1 385 . 4 1 1 A 37 37 SER N N 37 118.770 117.084 1.686 1
1 386 . 4 1 1 A 38 38 PHE H H 38 6.960 8.386 -1.426 1
1 387 . 4 1 1 A 38 38 PHE HA H 38 3.090 4.165 -1.075 1
1 391 . 4 1 1 A 38 38 PHE C C 38 175.600 176.088 -0.488 1
1 392 . 4 1 1 A 38 38 PHE CA C 38 56.590 59.088 -2.498 1
1 393 . 4 1 1 A 38 38 PHE CB C 38 40.910 36.850 4.060 1
1 396 . 4 1 1 A 38 38 PHE N N 38 120.740 120.032 0.708 1
1 397 . 4 1 1 A 39 39 LYS H H 39 8.740 8.055 0.685 1
1 398 . 4 1 1 A 39 39 LYS HA H 39 4.160 4.353 -0.193 1
1 402 . 4 1 1 A 39 39 LYS C C 39 175.500 175.735 -0.235 1
1 403 . 4 1 1 A 39 39 LYS CA C 39 56.500 57.111 -0.611 1
1 404 . 4 1 1 A 39 39 LYS CB C 39 33.210 32.407 0.803 1
1 408 . 4 1 1 A 39 39 LYS N N 39 118.100 117.959 0.141 1
1 409 . 4 1 1 A 40 40 SER H H 40 7.480 7.625 -0.145 1
1 410 . 4 1 1 A 40 40 SER HA H 40 3.830 4.682 -0.852 1
1 412 . 4 1 1 A 40 40 SER C C 40 174.800 173.496 1.304 1
1 413 . 4 1 1 A 40 40 SER CA C 40 56.380 57.054 -0.674 1
1 414 . 4 1 1 A 40 40 SER CB C 40 66.790 64.860 1.930 1
1 415 . 4 1 1 A 40 40 SER N N 40 111.180 112.921 -1.741 1
1 416 . 4 1 1 A 41 41 SER H H 41 10.310 9.214 1.096 1
1 417 . 4 1 1 A 41 41 SER HA H 41 3.780 4.322 -0.542 1
1 419 . 4 1 1 A 41 41 SER C C 41 176.300 176.053 0.247 1
1 420 . 4 1 1 A 41 41 SER CA C 41 62.530 61.368 1.162 1
1 421 . 4 1 1 A 41 41 SER CB C 41 66.770 63.115 3.655 1
1 422 . 4 1 1 A 41 41 SER N N 41 121.470 121.009 0.461 1
1 423 . 4 1 1 A 42 42 GLN H H 42 8.510 7.773 0.737 1
1 424 . 4 1 1 A 42 42 GLN HA H 42 3.830 4.027 -0.197 1
1 426 . 4 1 1 A 42 42 GLN C C 42 177.300 178.955 -1.655 1
1 427 . 4 1 1 A 42 42 GLN CA C 42 58.480 58.981 -0.501 1
1 428 . 4 1 1 A 42 42 GLN CB C 42 28.450 28.684 -0.234 1
1 430 . 4 1 1 A 42 42 GLN N N 42 121.500 120.541 0.959 1
1 431 . 4 1 1 A 43 43 GLU H H 43 7.470 7.853 -0.383 1
1 432 . 4 1 1 A 43 43 GLU HA H 43 3.840 4.188 -0.348 1
1 434 . 4 1 1 A 43 43 GLU C C 43 179.200 179.100 0.100 1
1 435 . 4 1 1 A 43 43 GLU CA C 43 59.110 59.168 -0.058 1
1 436 . 4 1 1 A 43 43 GLU CB C 43 29.990 29.610 0.380 1
1 438 . 4 1 1 A 43 43 GLU N N 43 116.740 119.041 -2.301 1
1 439 . 4 1 1 A 44 44 PHE H H 44 7.320 8.337 -1.017 1
1 440 . 4 1 1 A 44 44 PHE HA H 44 3.630 4.236 -0.606 1
1 444 . 4 1 1 A 44 44 PHE C C 44 176.800 176.989 -0.189 1
1 445 . 4 1 1 A 44 44 PHE CA C 44 62.270 61.326 0.944 1
1 446 . 4 1 1 A 44 44 PHE CB C 44 39.920 38.824 1.096 1
1 449 . 4 1 1 A 44 44 PHE N N 44 118.660 122.708 -4.048 1
1 450 . 4 1 1 A 45 45 ILE H H 45 8.120 8.290 -0.170 1
1 451 . 4 1 1 A 45 45 ILE HA H 45 3.390 3.151 0.239 1
1 461 . 4 1 1 A 45 45 ILE C C 45 177.600 177.719 -0.119 1
1 462 . 4 1 1 A 45 45 ILE CA C 45 64.000 64.905 -0.905 1
1 463 . 4 1 1 A 45 45 ILE CB C 45 37.440 37.419 0.021 1
1 467 . 4 1 1 A 45 45 ILE N N 45 119.470 120.065 -0.595 1
1 468 . 4 1 1 A 46 46 ASP H H 46 8.590 7.616 0.974 1
1 469 . 4 1 1 A 46 46 ASP HA H 46 4.180 4.252 -0.072 1
1 471 . 4 1 1 A 46 46 ASP C C 46 178.900 177.861 1.039 1
1 472 . 4 1 1 A 46 46 ASP CA C 46 57.000 57.085 -0.085 1
1 473 . 4 1 1 A 46 46 ASP CB C 46 39.350 40.627 -1.277 1
1 474 . 4 1 1 A 46 46 ASP N N 46 119.870 121.939 -2.069 1
1 475 . 4 1 1 A 47 47 TYR H H 47 7.530 8.179 -0.649 1
1 476 . 4 1 1 A 47 47 TYR HA H 47 4.090 4.237 -0.147 1
1 480 . 4 1 1 A 47 47 TYR C C 47 179.500 176.893 2.607 1
1 481 . 4 1 1 A 47 47 TYR CA C 47 61.960 61.403 0.557 1
1 482 . 4 1 1 A 47 47 TYR CB C 47 38.350 38.823 -0.473 1
1 485 . 4 1 1 A 47 47 TYR N N 47 120.170 122.822 -2.652 1
1 486 . 4 1 1 A 48 48 ILE H H 48 8.020 7.880 0.140 1
1 487 . 4 1 1 A 48 48 ILE HA H 48 3.200 3.915 -0.715 1
1 497 . 4 1 1 A 48 48 ILE C C 48 177.000 178.009 -1.009 1
1 498 . 4 1 1 A 48 48 ILE CA C 48 65.450 64.482 0.968 1
1 499 . 4 1 1 A 48 48 ILE CB C 48 36.770 37.073 -0.303 1
1 503 . 4 1 1 A 48 48 ILE N N 48 122.120 119.595 2.525 1
1 504 . 4 1 1 A 49 49 HIS H H 49 8.250 7.435 0.815 1
1 505 . 4 1 1 A 49 49 HIS HA H 49 4.490 4.399 0.091 1
1 507 . 4 1 1 A 49 49 HIS C C 49 174.300 176.894 -2.594 1
1 508 . 4 1 1 A 49 49 HIS CA C 49 55.550 58.121 -2.571 1
1 509 . 4 1 1 A 49 49 HIS CB C 49 28.650 30.388 -1.738 1
1 510 . 4 1 1 A 49 49 HIS N N 49 112.280 119.567 -7.287 1
1 511 . 4 1 1 A 50 50 SER H H 50 7.700 8.010 -0.310 1
1 512 . 4 1 1 A 50 50 SER HA H 50 3.970 4.172 -0.202 1
1 514 . 4 1 1 A 50 50 SER C C 50 174.300 174.505 -0.205 1
1 515 . 4 1 1 A 50 50 SER CA C 50 59.300 60.808 -1.508 1
1 516 . 4 1 1 A 50 50 SER CB C 50 63.840 62.836 1.004 1
1 517 . 4 1 1 A 50 50 SER N N 50 115.110 114.939 0.171 1
1 518 . 4 1 1 A 51 51 LYS H H 51 7.060 7.610 -0.550 1
1 519 . 4 1 1 A 51 51 LYS HA H 51 4.320 4.548 -0.228 1
1 527 . 4 1 1 A 51 51 LYS C C 51 173.100 175.406 -2.306 1
1 528 . 4 1 1 A 51 51 LYS CA C 51 53.730 54.847 -1.117 1
1 529 . 4 1 1 A 51 51 LYS CB C 51 31.350 33.939 -2.589 1
1 533 . 4 1 1 A 51 51 LYS N N 51 123.340 121.043 2.297 1
1 534 . 4 1 1 A 52 52 LYS H H 52 8.250 8.349 -0.099 1
1 535 . 4 1 1 A 52 52 LYS HA H 52 4.610 4.898 -0.288 1
1 540 . 4 1 1 A 52 52 LYS C C 52 177.000 176.301 0.699 1
1 541 . 4 1 1 A 52 52 LYS CA C 52 54.060 54.259 -0.199 1
1 542 . 4 1 1 A 52 52 LYS CB C 52 34.900 35.752 -0.852 1
1 546 . 4 1 1 A 52 52 LYS N N 52 115.990 119.144 -3.154 1
1 547 . 4 1 1 A 53 53 VAL H H 53 8.520 8.552 -0.032 1
1 548 . 4 1 1 A 53 53 VAL HA H 53 3.050 3.564 -0.514 1
1 556 . 4 1 1 A 53 53 VAL C C 53 177.200 177.130 0.070 1
1 557 . 4 1 1 A 53 53 VAL CA C 53 66.270 65.859 0.411 1
1 558 . 4 1 1 A 53 53 VAL CB C 53 31.290 31.396 -0.106 1
1 561 . 4 1 1 A 53 53 VAL N N 53 120.780 121.946 -1.166 1
1 562 . 4 1 1 A 54 54 GLY H H 54 8.310 8.950 -0.640 1
1 563 . 4 1 1 A 54 54 GLY HA2 H 54 3.520 3.976 -0.456 1
1 564 . 4 1 1 A 54 54 GLY HA3 H 54 4.520 3.978 0.542 1
1 565 . 4 1 1 A 54 54 GLY C C 54 174.500 173.991 0.509 1
1 566 . 4 1 1 A 54 54 GLY CA C 54 45.010 45.093 -0.083 1
1 567 . 4 1 1 A 54 54 GLY N N 54 116.140 115.188 0.952 1
1 568 . 4 1 1 A 55 55 ASP H H 55 8.110 7.864 0.246 1
1 569 . 4 1 1 A 55 55 ASP HA H 55 4.710 4.674 0.036 1
1 572 . 4 1 1 A 55 55 ASP C C 55 175.000 175.912 -0.912 1
1 573 . 4 1 1 A 55 55 ASP CA C 55 54.950 54.273 0.677 1
1 574 . 4 1 1 A 55 55 ASP CB C 55 41.300 42.239 -0.939 1
1 575 . 4 1 1 A 55 55 ASP N N 55 121.670 122.058 -0.388 1
1 576 . 4 1 1 A 56 56 THR H H 56 8.670 8.469 0.201 1
1 577 . 4 1 1 A 56 56 THR HA H 56 3.920 4.916 -0.996 1
1 582 . 4 1 1 A 56 56 THR C C 56 175.200 173.811 1.389 1
1 583 . 4 1 1 A 56 56 THR CA C 56 62.350 60.636 1.714 1
1 584 . 4 1 1 A 56 56 THR CB C 56 70.380 70.489 -0.109 1
1 586 . 4 1 1 A 56 56 THR N N 56 115.670 113.846 1.824 1
1 587 . 4 1 1 A 57 57 VAL H H 57 8.990 8.528 0.462 1
1 588 . 4 1 1 A 57 57 VAL HA H 57 5.190 4.942 0.248 1
1 596 . 4 1 1 A 57 57 VAL C C 57 173.900 173.862 0.038 1
1 597 . 4 1 1 A 57 57 VAL CA C 57 58.570 59.606 -1.036 1
1 598 . 4 1 1 A 57 57 VAL CB C 57 34.480 35.922 -1.442 1
1 601 . 4 1 1 A 57 57 VAL N N 57 119.230 121.579 -2.349 1
1 602 . 4 1 1 A 58 58 LYS H H 58 9.000 8.868 0.132 1
1 603 . 4 1 1 A 58 58 LYS HA H 58 5.170 5.050 0.120 1
1 608 . 4 1 1 A 58 58 LYS C C 58 176.400 175.585 0.815 1
1 609 . 4 1 1 A 58 58 LYS CA C 58 54.990 55.170 -0.180 1
1 610 . 4 1 1 A 58 58 LYS CB C 58 33.510 34.516 -1.006 1
1 614 . 4 1 1 A 58 58 LYS N N 58 123.700 124.486 -0.786 1
1 615 . 4 1 1 A 59 59 ILE H H 59 9.460 8.892 0.568 1
1 616 . 4 1 1 A 59 59 ILE HA H 59 5.100 4.791 0.309 1
1 626 . 4 1 1 A 59 59 ILE C C 59 175.100 174.462 0.638 1
1 627 . 4 1 1 A 59 59 ILE CA C 59 59.940 59.852 0.088 1
1 628 . 4 1 1 A 59 59 ILE CB C 59 41.740 40.601 1.139 1
1 632 . 4 1 1 A 59 59 ILE N N 59 125.190 125.515 -0.325 1
1 633 . 4 1 1 A 60 60 LYS H H 60 8.780 8.281 0.499 1
1 634 . 4 1 1 A 60 60 LYS HA H 60 5.210 5.196 0.014 1
1 639 . 4 1 1 A 60 60 LYS C C 60 175.000 174.667 0.333 1
1 640 . 4 1 1 A 60 60 LYS CA C 60 55.910 54.744 1.166 1
1 641 . 4 1 1 A 60 60 LYS CB C 60 34.340 35.374 -1.034 1
1 645 . 4 1 1 A 60 60 LYS N N 60 126.140 127.240 -1.100 1
1 646 . 4 1 1 A 61 61 TYR H H 61 8.660 8.270 0.390 1
1 647 . 4 1 1 A 61 61 TYR HA H 61 5.680 5.595 0.085 1
1 651 . 4 1 1 A 61 61 TYR CA C 61 55.090 55.853 -0.763 1
1 652 . 4 1 1 A 61 61 TYR CB C 61 41.640 42.262 -0.622 1
1 655 . 4 1 1 A 61 61 TYR N N 61 120.100 122.622 -2.522 1
1 656 . 4 1 1 A 62 62 LYS H H 62 9.590 9.083 0.507 1
1 657 . 4 1 1 A 62 62 LYS C C 62 172.100 174.447 -2.347 1
1 658 . 4 1 1 A 62 62 LYS CA C 62 54.820 54.677 0.143 1
1 659 . 4 1 1 A 62 62 LYS CB C 62 35.540 35.353 0.187 1
1 660 . 4 1 1 A 62 62 LYS N N 62 120.730 121.518 -0.788 1
1 661 . 4 1 1 A 63 63 HIS H H 63 8.570 8.625 -0.055 1
1 662 . 4 1 1 A 63 63 HIS HA H 63 5.240 5.015 0.225 1
1 665 . 4 1 1 A 63 63 HIS C C 63 175.200 175.287 -0.087 1
1 666 . 4 1 1 A 63 63 HIS CA C 63 54.100 55.819 -1.719 1
1 667 . 4 1 1 A 63 63 HIS CB C 63 30.300 31.371 -1.071 1
1 668 . 4 1 1 A 63 63 HIS N N 63 123.800 127.321 -3.521 1
1 669 . 4 1 1 A 64 64 GLY H H 64 9.080 8.723 0.357 1
1 670 . 4 1 1 A 64 64 GLY HA2 H 64 3.730 3.616 0.114 1
1 671 . 4 1 1 A 64 64 GLY C C 64 174.200 174.603 -0.403 1
1 672 . 4 1 1 A 64 64 GLY CA C 64 47.090 47.221 -0.131 1
1 673 . 4 1 1 A 64 64 GLY N N 64 119.110 115.995 3.115 1
1 674 . 4 1 1 A 65 65 ASN H H 65 8.770 8.686 0.084 1
1 675 . 4 1 1 A 65 65 ASN HA H 65 4.650 4.771 -0.121 1
1 677 . 4 1 1 A 65 65 ASN C C 65 174.600 175.006 -0.406 1
1 678 . 4 1 1 A 65 65 ASN CA C 65 53.080 52.836 0.244 1
1 679 . 4 1 1 A 65 65 ASN CB C 65 38.700 39.129 -0.429 1
1 680 . 4 1 1 A 65 65 ASN N N 65 122.390 124.470 -2.080 1
1 681 . 4 1 1 A 66 66 LYS H H 66 7.830 7.089 0.741 1
1 682 . 4 1 1 A 66 66 LYS HA H 66 4.470 4.775 -0.305 1
1 686 . 4 1 1 A 66 66 LYS C C 66 174.900 175.712 -0.812 1
1 687 . 4 1 1 A 66 66 LYS CA C 66 55.490 55.484 0.006 1
1 688 . 4 1 1 A 66 66 LYS CB C 66 34.670 33.945 0.725 1
1 692 . 4 1 1 A 66 66 LYS N N 66 120.640 117.429 3.211 1
1 693 . 4 1 1 A 67 67 ASN H H 67 8.570 9.022 -0.452 1
1 694 . 4 1 1 A 67 67 ASN HA H 67 4.860 5.463 -0.603 1
1 696 . 4 1 1 A 67 67 ASN C C 67 174.700 174.613 0.087 1
1 697 . 4 1 1 A 67 67 ASN CA C 67 53.680 51.811 1.869 1
1 698 . 4 1 1 A 67 67 ASN CB C 67 39.050 40.016 -0.966 1
1 699 . 4 1 1 A 67 67 ASN N N 67 123.400 121.042 2.358 1
1 700 . 4 1 1 A 68 68 GLU H H 68 8.970 8.406 0.564 1
1 701 . 4 1 1 A 68 68 GLU HA H 68 4.630 4.977 -0.347 1
1 704 . 4 1 1 A 68 68 GLU C C 68 174.500 174.891 -0.391 1
1 705 . 4 1 1 A 68 68 GLU CA C 68 54.130 54.461 -0.331 1
1 706 . 4 1 1 A 68 68 GLU CB C 68 32.450 33.664 -1.214 1
1 708 . 4 1 1 A 68 68 GLU N N 68 123.040 122.615 0.425 1
1 709 . 4 1 1 A 69 69 GLU H H 69 8.440 8.908 -0.468 1
1 710 . 4 1 1 A 69 69 GLU HA H 69 5.500 5.076 0.424 1
1 713 . 4 1 1 A 69 69 GLU C C 69 175.000 174.489 0.511 1
1 714 . 4 1 1 A 69 69 GLU CA C 69 55.010 54.478 0.532 1
1 715 . 4 1 1 A 69 69 GLU CB C 69 33.200 33.336 -0.136 1
1 717 . 4 1 1 A 69 69 GLU N N 69 118.940 118.351 0.589 1
1 718 . 4 1 1 A 70 70 ALA H H 70 9.140 8.145 0.995 1
1 719 . 4 1 1 A 70 70 ALA HA H 70 4.840 4.995 -0.155 1
1 723 . 4 1 1 A 70 70 ALA C C 70 175.500 176.295 -0.795 1
1 724 . 4 1 1 A 70 70 ALA CA C 70 51.720 51.275 0.445 1
1 725 . 4 1 1 A 70 70 ALA CB C 70 23.780 23.671 0.109 1
1 726 . 4 1 1 A 70 70 ALA N N 70 124.420 121.752 2.668 1
1 727 . 4 1 1 A 71 71 SER H H 71 8.640 8.685 -0.045 1
1 728 . 4 1 1 A 71 71 SER HA H 71 5.480 5.350 0.130 1
1 731 . 4 1 1 A 71 71 SER C C 71 173.900 173.591 0.309 1
1 732 . 4 1 1 A 71 71 SER CA C 71 57.470 58.307 -0.837 1
1 733 . 4 1 1 A 71 71 SER CB C 71 63.760 64.850 -1.090 1
1 734 . 4 1 1 A 71 71 SER N N 71 118.040 117.600 0.440 1
1 735 . 4 1 1 A 72 72 ILE H H 72 9.100 8.846 0.254 1
1 736 . 4 1 1 A 72 72 ILE HA H 72 4.340 4.764 -0.424 1
1 746 . 4 1 1 A 72 72 ILE C C 72 173.500 175.442 -1.942 1
1 747 . 4 1 1 A 72 72 ILE CA C 72 60.140 59.922 0.218 1
1 748 . 4 1 1 A 72 72 ILE CB C 72 41.920 42.748 -0.828 1
1 752 . 4 1 1 A 72 72 ILE N N 72 124.670 124.879 -0.209 1
1 753 . 4 1 1 A 73 73 LYS H H 73 8.530 8.197 0.333 1
1 754 . 4 1 1 A 73 73 LYS HA H 73 4.810 4.691 0.119 1
1 759 . 4 1 1 A 73 73 LYS C C 73 176.000 176.281 -0.281 1
1 760 . 4 1 1 A 73 73 LYS CA C 73 55.630 56.072 -0.442 1
1 761 . 4 1 1 A 73 73 LYS CB C 73 33.440 33.197 0.243 1
1 765 . 4 1 1 A 73 73 LYS N N 73 128.060 125.667 2.393 1
1 766 . 4 1 1 A 74 74 LEU H H 74 8.900 8.867 0.033 1
1 767 . 4 1 1 A 74 74 LEU HA H 74 4.230 4.363 -0.133 1
1 774 . 4 1 1 A 74 74 LEU C C 74 178.400 176.683 1.717 1
1 775 . 4 1 1 A 74 74 LEU CA C 74 55.520 55.269 0.251 1
1 776 . 4 1 1 A 74 74 LEU CB C 74 42.240 42.311 -0.071 1
1 779 . 4 1 1 A 74 74 LEU N N 74 123.270 123.417 -0.147 1
1 780 . 4 1 1 A 75 75 THR H H 75 8.550 8.590 -0.040 1
1 781 . 4 1 1 A 75 75 THR HA H 75 4.680 5.108 -0.428 1
1 786 . 4 1 1 A 75 75 THR C C 75 172.600 172.651 -0.051 1
1 787 . 4 1 1 A 75 75 THR CA C 75 59.400 59.291 0.109 1
1 788 . 4 1 1 A 75 75 THR CB C 75 71.300 72.093 -0.793 1
1 790 . 4 1 1 A 75 75 THR N N 75 116.480 114.563 1.917 1
1 791 . 4 1 1 A 76 76 ALA H H 76 8.360 8.609 -0.249 1
1 792 . 4 1 1 A 76 76 ALA HA H 76 4.490 4.427 0.063 1
1 796 . 4 1 1 A 76 76 ALA C C 76 179.100 178.446 0.654 1
1 797 . 4 1 1 A 76 76 ALA CA C 76 51.730 52.263 -0.533 1
1 798 . 4 1 1 A 76 76 ALA CB C 76 18.930 18.615 0.315 1
1 799 . 4 1 1 A 76 76 ALA N N 76 123.400 124.801 -1.401 1
1 800 . 4 1 1 A 77 77 ILE H H 77 8.850 8.368 0.482 1
1 801 . 4 1 1 A 77 77 ILE HA H 77 4.370 4.253 0.117 1
1 811 . 4 1 1 A 77 77 ILE C C 77 174.900 175.320 -0.420 1
1 812 . 4 1 1 A 77 77 ILE CA C 77 59.850 62.367 -2.517 1
1 813 . 4 1 1 A 77 77 ILE CB C 77 39.200 38.564 0.636 1
1 817 . 4 1 1 A 77 77 ILE N N 77 118.310 119.973 -1.663 1
1 818 . 4 1 1 A 78 78 ASP H H 78 7.580 7.963 -0.383 1
1 819 . 4 1 1 A 78 78 ASP HA H 78 4.670 4.788 -0.118 1
1 822 . 4 1 1 A 78 78 ASP C C 78 177.300 176.249 1.051 1
1 823 . 4 1 1 A 78 78 ASP CA C 78 52.500 52.677 -0.177 1
1 824 . 4 1 1 A 78 78 ASP CB C 78 42.100 42.826 -0.726 1
1 825 . 4 1 1 A 78 78 ASP N N 78 118.160 122.387 -4.227 1
1 826 . 4 1 1 A 79 79 LYS H H 79 8.380 8.654 -0.274 1
1 827 . 4 1 1 A 79 79 LYS HA H 79 4.200 3.965 0.235 1
1 832 . 4 1 1 A 79 79 LYS C C 79 177.200 177.855 -0.655 1
1 833 . 4 1 1 A 79 79 LYS CA C 79 57.620 59.055 -1.435 1
1 834 . 4 1 1 A 79 79 LYS CB C 79 31.940 31.916 0.024 1
1 838 . 4 1 1 A 79 79 LYS N N 79 117.260 124.249 -6.989 1
1 839 . 4 1 1 A 80 80 LYS H H 80 7.900 7.767 0.133 1
1 840 . 4 1 1 A 80 80 LYS HA H 80 4.350 4.212 0.138 1
1 845 . 4 1 1 A 80 80 LYS C C 80 176.800 177.247 -0.447 1
1 846 . 4 1 1 A 80 80 LYS CA C 80 56.070 55.735 0.335 1
1 847 . 4 1 1 A 80 80 LYS CB C 80 32.430 31.957 0.473 1
1 851 . 4 1 1 A 80 80 LYS N N 80 118.240 115.059 3.181 1
1 852 . 4 1 1 A 81 81 GLY H H 81 7.850 7.803 0.047 1
1 853 . 4 1 1 A 81 81 GLY HA2 H 81 4.170 3.888 0.282 1
1 854 . 4 1 1 A 81 81 GLY HA3 H 81 3.520 3.891 -0.371 1
1 855 . 4 1 1 A 81 81 GLY C C 81 173.700 174.737 -1.037 1
1 856 . 4 1 1 A 81 81 GLY CA C 81 45.340 46.421 -1.081 1
1 857 . 4 1 1 A 81 81 GLY N N 81 107.740 109.732 -1.992 1
1 858 . 4 1 1 A 82 82 THR H H 82 8.760 7.971 0.789 1
1 859 . 4 1 1 A 82 82 THR HA H 82 4.060 4.251 -0.191 1
1 864 . 4 1 1 A 82 82 THR CA C 82 61.340 59.847 1.493 1
1 865 . 4 1 1 A 82 82 THR CB C 82 68.440 69.136 -0.696 1
1 867 . 4 1 1 A 82 82 THR N N 82 122.360 116.058 6.302 1
1 868 . 4 1 1 A 83 83 PRO HA H 83 4.760 4.367 0.393 1
1 874 . 4 1 1 A 83 83 PRO C C 83 177.100 176.324 0.776 1
1 875 . 4 1 1 A 83 83 PRO CA C 83 61.750 63.573 -1.823 1
1 876 . 4 1 1 A 83 83 PRO CB C 83 33.000 32.140 0.860 1
1 879 . 4 1 1 A 84 84 GLY H H 84 8.870 8.231 0.639 1
1 880 . 4 1 1 A 84 84 GLY HA2 H 84 4.140 4.217 -0.077 1
1 881 . 4 1 1 A 84 84 GLY C C 84 171.400 173.558 -2.158 1
1 882 . 4 1 1 A 84 84 GLY CA C 84 46.360 45.523 0.837 1
1 883 . 4 1 1 A 84 84 GLY N N 84 104.120 107.773 -3.653 1
1 884 . 4 1 1 A 85 85 ILE H H 85 8.920 9.016 -0.096 1
1 885 . 4 1 1 A 85 85 ILE HA H 85 4.570 4.410 0.160 1
1 895 . 4 1 1 A 85 85 ILE C C 85 175.100 175.797 -0.697 1
1 896 . 4 1 1 A 85 85 ILE CA C 85 61.110 60.925 0.185 1
1 897 . 4 1 1 A 85 85 ILE CB C 85 40.020 38.298 1.722 1
1 901 . 4 1 1 A 85 85 ILE N N 85 112.690 120.947 -8.257 1
1 902 . 4 1 1 A 86 86 GLY H H 86 8.980 7.989 0.991 1
1 903 . 4 1 1 A 86 86 GLY HA2 H 86 3.770 3.921 -0.151 1
1 904 . 4 1 1 A 86 86 GLY HA3 H 86 4.160 3.924 0.236 1
1 905 . 4 1 1 A 86 86 GLY C C 86 173.300 173.519 -0.219 1
1 906 . 4 1 1 A 86 86 GLY CA C 86 45.960 46.893 -0.933 1
1 907 . 4 1 1 A 86 86 GLY N N 86 112.050 111.052 0.998 1
1 908 . 4 1 1 A 87 87 ILE H H 87 7.290 7.504 -0.214 1
1 909 . 4 1 1 A 87 87 ILE HA H 87 5.170 4.890 0.280 1
1 918 . 4 1 1 A 87 87 ILE C C 87 174.800 174.382 0.418 1
1 919 . 4 1 1 A 87 87 ILE CA C 87 58.850 58.915 -0.065 1
1 920 . 4 1 1 A 87 87 ILE CB C 87 41.480 42.583 -1.103 1
1 924 . 4 1 1 A 87 87 ILE N N 87 110.880 113.344 -2.464 1
1 925 . 4 1 1 A 88 88 THR H H 88 8.350 8.676 -0.326 1
1 926 . 4 1 1 A 88 88 THR HA H 88 4.580 5.004 -0.424 1
1 931 . 4 1 1 A 88 88 THR C C 88 173.700 173.260 0.440 1
1 932 . 4 1 1 A 88 88 THR CA C 88 61.410 61.921 -0.511 1
1 933 . 4 1 1 A 88 88 THR CB C 88 70.570 71.272 -0.702 1
1 935 . 4 1 1 A 88 88 THR N N 88 116.050 116.964 -0.914 1
1 936 . 4 1 1 A 89 89 LEU H H 89 8.950 8.990 -0.040 1
1 937 . 4 1 1 A 89 89 LEU HA H 89 5.210 5.403 -0.193 1
1 944 . 4 1 1 A 89 89 LEU C C 89 176.000 175.699 0.301 1
1 945 . 4 1 1 A 89 89 LEU CA C 89 53.600 53.503 0.097 1
1 946 . 4 1 1 A 89 89 LEU CB C 89 44.840 43.803 1.037 1
1 949 . 4 1 1 A 89 89 LEU N N 89 126.710 127.205 -0.495 1
1 950 . 4 1 1 A 90 90 VAL H H 90 8.820 8.314 0.506 1
1 951 . 4 1 1 A 90 90 VAL HA H 90 4.320 4.575 -0.255 1
1 956 . 4 1 1 A 90 90 VAL C C 90 174.600 175.764 -1.164 1
1 957 . 4 1 1 A 90 90 VAL CA C 90 61.300 59.349 1.951 1
1 958 . 4 1 1 A 90 90 VAL CB C 90 34.850 35.102 -0.252 1
1 961 . 4 1 1 A 90 90 VAL N N 90 117.740 118.559 -0.819 1
1 962 . 4 1 1 A 91 91 ASP H H 91 8.510 8.784 -0.274 1
1 963 . 4 1 1 A 91 91 ASP HA H 91 4.890 4.253 0.637 1
1 965 . 4 1 1 A 91 91 ASP C C 91 176.000 176.704 -0.704 1
1 966 . 4 1 1 A 91 91 ASP CA C 91 54.920 57.353 -2.433 1
1 967 . 4 1 1 A 91 91 ASP CB C 91 41.590 40.906 0.684 1
1 968 . 4 1 1 A 91 91 ASP N N 91 123.890 125.225 -1.335 1
1 969 . 4 1 1 A 92 92 ASP H H 92 8.390 7.953 0.437 1
1 970 . 4 1 1 A 92 92 ASP HA H 92 4.730 4.811 -0.081 1
1 972 . 4 1 1 A 92 92 ASP C C 92 175.800 175.437 0.363 1
1 973 . 4 1 1 A 92 92 ASP CA C 92 53.890 53.093 0.797 1
1 974 . 4 1 1 A 92 92 ASP CB C 92 41.650 41.156 0.494 1
1 975 . 4 1 1 A 92 92 ASP N N 92 119.860 116.165 3.695 1
1 976 . 4 1 1 A 93 93 LEU H H 93 8.180 8.093 0.087 1
1 977 . 4 1 1 A 93 93 LEU HA H 93 4.130 3.691 0.439 1
1 983 . 4 1 1 A 93 93 LEU C C 93 177.700 175.268 2.432 1
1 984 . 4 1 1 A 93 93 LEU CA C 93 55.920 55.713 0.207 1
1 985 . 4 1 1 A 93 93 LEU CB C 93 42.120 40.296 1.824 1
1 989 . 4 1 1 A 93 93 LEU N N 93 122.430 115.432 6.998 1
1 990 . 4 1 1 A 94 94 GLU H H 94 8.240 7.672 0.568 1
1 991 . 4 1 1 A 94 94 GLU HA H 94 4.070 4.703 -0.633 1
1 995 . 4 1 1 A 94 94 GLU C C 94 176.500 175.796 0.704 1
1 996 . 4 1 1 A 94 94 GLU CA C 94 56.790 55.083 1.707 1
1 997 . 4 1 1 A 94 94 GLU CB C 94 29.440 31.140 -1.700 1
1 999 . 4 1 1 A 94 94 GLU N N 94 118.890 117.350 1.540 1
1 1000 . 4 1 1 A 95 95 HIS H H 95 8.250 8.534 -0.284 1
1 1001 . 4 1 1 A 95 95 HIS CA C 95 55.680 57.029 -1.349 1
1 1002 . 4 1 1 A 95 95 HIS CB C 95 28.300 30.173 -1.873 1
1 1003 . 4 1 1 A 95 95 HIS N N 95 117.130 122.385 -5.255 1
1 1004 . 4 1 1 A 96 96 HIS H H 96 8.440 7.737 0.703 1
1 1005 . 4 1 1 A 96 96 HIS CA C 96 55.550 57.083 -1.533 1
1 1006 . 4 1 1 A 96 96 HIS CB C 96 28.830 31.154 -2.324 1
1 5 . 5 1 1 A 2 2 VAL HA H 2 3.810 4.171 -0.361 1
1 10 . 5 1 1 A 2 2 VAL C C 2 171.900 175.447 -3.547 1
1 11 . 5 1 1 A 2 2 VAL CA C 2 61.200 61.998 -0.798 1
1 12 . 5 1 1 A 2 2 VAL CB C 2 32.900 32.597 0.303 1
1 14 . 5 1 1 A 3 3 LYS H H 3 8.620 8.166 0.454 1
1 15 . 5 1 1 A 3 3 LYS HA H 3 4.400 4.297 0.103 1
1 19 . 5 1 1 A 3 3 LYS C C 3 175.800 175.466 0.334 1
1 20 . 5 1 1 A 3 3 LYS CA C 3 56.240 56.955 -0.715 1
1 21 . 5 1 1 A 3 3 LYS CB C 3 33.190 32.631 0.559 1
1 25 . 5 1 1 A 3 3 LYS N N 3 126.140 124.815 1.325 1
1 26 . 5 1 1 A 4 4 VAL H H 4 8.350 8.904 -0.554 1
1 30 . 5 1 1 A 4 4 VAL C C 4 175.600 176.936 -1.336 1
1 31 . 5 1 1 A 4 4 VAL CA C 4 62.200 62.630 -0.430 1
1 32 . 5 1 1 A 4 4 VAL CB C 4 33.060 30.860 2.200 1
1 34 . 5 1 1 A 4 4 VAL N N 4 123.850 128.062 -4.212 1
1 35 . 5 1 1 A 5 5 THR H H 5 8.100 8.420 -0.320 1
1 36 . 5 1 1 A 5 5 THR HA H 5 4.060 4.091 -0.031 1
1 41 . 5 1 1 A 5 5 THR C C 5 173.400 174.608 -1.208 1
1 42 . 5 1 1 A 5 5 THR CA C 5 61.220 64.588 -3.368 1
1 43 . 5 1 1 A 5 5 THR CB C 5 70.100 68.217 1.883 1
1 45 . 5 1 1 A 5 5 THR N N 5 118.630 120.369 -1.739 1
1 46 . 5 1 1 A 6 6 TYR H H 6 8.300 7.975 0.325 1
1 51 . 5 1 1 A 6 6 TYR C C 6 175.400 175.264 0.136 1
1 52 . 5 1 1 A 6 6 TYR CA C 6 57.480 58.762 -1.282 1
1 53 . 5 1 1 A 6 6 TYR CB C 6 39.400 39.561 -0.161 1
1 56 . 5 1 1 A 6 6 TYR N N 6 123.230 120.181 3.049 1
1 57 . 5 1 1 A 7 7 ASP H H 7 8.560 9.017 -0.457 1
1 58 . 5 1 1 A 7 7 ASP HA H 7 4.670 5.220 -0.550 1
1 60 . 5 1 1 A 7 7 ASP C C 7 175.100 175.194 -0.094 1
1 61 . 5 1 1 A 7 7 ASP CA C 7 54.400 53.050 1.350 1
1 62 . 5 1 1 A 7 7 ASP CB C 7 41.250 42.210 -0.960 1
1 63 . 5 1 1 A 7 7 ASP N N 7 122.230 122.768 -0.538 1
1 64 . 5 1 1 A 8 8 GLY H H 8 7.610 8.477 -0.867 1
1 65 . 5 1 1 A 8 8 GLY HA2 H 8 3.930 4.377 -0.447 1
1 66 . 5 1 1 A 8 8 GLY HA3 H 8 4.140 4.388 -0.248 1
1 67 . 5 1 1 A 8 8 GLY C C 8 171.900 172.390 -0.490 1
1 68 . 5 1 1 A 8 8 GLY CA C 8 44.940 46.370 -1.430 1
1 69 . 5 1 1 A 8 8 GLY N N 8 106.550 112.620 -6.070 1
1 70 . 5 1 1 A 9 9 VAL H H 9 8.050 8.766 -0.716 1
1 71 . 5 1 1 A 9 9 VAL HA H 9 4.520 5.163 -0.643 1
1 79 . 5 1 1 A 9 9 VAL C C 9 173.700 174.272 -0.572 1
1 80 . 5 1 1 A 9 9 VAL CA C 9 59.940 59.952 -0.012 1
1 81 . 5 1 1 A 9 9 VAL CB C 9 33.470 34.482 -1.012 1
1 84 . 5 1 1 A 9 9 VAL N N 9 115.200 117.132 -1.932 1
1 85 . 5 1 1 A 10 10 TYR H H 10 8.720 8.998 -0.278 1
1 89 . 5 1 1 A 10 10 TYR C C 10 175.700 175.648 0.052 1
1 90 . 5 1 1 A 10 10 TYR CA C 10 57.730 57.602 0.128 1
1 91 . 5 1 1 A 10 10 TYR CB C 10 41.210 39.830 1.380 1
1 94 . 5 1 1 A 10 10 TYR N N 10 122.700 125.313 -2.613 1
1 95 . 5 1 1 A 11 11 VAL H H 11 8.810 8.766 0.044 1
1 96 . 5 1 1 A 11 11 VAL HA H 11 3.880 4.412 -0.532 1
1 104 . 5 1 1 A 11 11 VAL C C 11 175.700 175.563 0.137 1
1 105 . 5 1 1 A 11 11 VAL CA C 11 62.810 61.342 1.468 1
1 106 . 5 1 1 A 11 11 VAL CB C 11 31.920 33.559 -1.639 1
1 109 . 5 1 1 A 11 11 VAL N N 11 121.170 123.197 -2.027 1
1 110 . 5 1 1 A 12 12 LEU H H 12 9.390 9.197 0.193 1
1 111 . 5 1 1 A 12 12 LEU HA H 12 4.350 4.366 -0.016 1
1 120 . 5 1 1 A 12 12 LEU CA C 12 56.560 56.403 0.157 1
1 121 . 5 1 1 A 12 12 LEU CB C 12 43.120 42.796 0.324 1
1 125 . 5 1 1 A 12 12 LEU N N 12 133.040 130.029 3.011 1
1 126 . 5 1 1 A 13 13 SER H H 13 7.490 7.664 -0.174 1
1 127 . 5 1 1 A 13 13 SER HA H 13 3.700 4.648 -0.948 1
1 129 . 5 1 1 A 13 13 SER C C 13 171.100 171.882 -0.782 1
1 130 . 5 1 1 A 13 13 SER CA C 13 56.890 57.599 -0.709 1
1 131 . 5 1 1 A 13 13 SER CB C 13 65.220 65.216 0.004 1
1 132 . 5 1 1 A 13 13 SER N N 13 109.070 109.943 -0.873 1
1 133 . 5 1 1 A 14 14 VAL H H 14 8.380 8.795 -0.415 1
1 134 . 5 1 1 A 14 14 VAL HA H 14 4.360 4.389 -0.029 1
1 142 . 5 1 1 A 14 14 VAL C C 14 175.500 175.765 -0.265 1
1 143 . 5 1 1 A 14 14 VAL CA C 14 61.270 61.427 -0.157 1
1 144 . 5 1 1 A 14 14 VAL CB C 14 34.620 33.766 0.854 1
1 147 . 5 1 1 A 14 14 VAL N N 14 121.190 121.001 0.189 1
1 148 . 5 1 1 A 15 15 LYS H H 15 7.920 8.904 -0.984 1
1 149 . 5 1 1 A 15 15 LYS HA H 15 4.180 4.008 0.172 1
1 154 . 5 1 1 A 15 15 LYS C C 15 175.600 176.804 -1.204 1
1 155 . 5 1 1 A 15 15 LYS CA C 15 57.150 58.317 -1.167 1
1 156 . 5 1 1 A 15 15 LYS CB C 15 33.730 33.071 0.659 1
1 160 . 5 1 1 A 15 15 LYS N N 15 126.860 127.334 -0.474 1
1 161 . 5 1 1 A 16 16 GLU H H 16 8.200 8.163 0.037 1
1 162 . 5 1 1 A 16 16 GLU HA H 16 4.240 4.284 -0.044 1
1 165 . 5 1 1 A 16 16 GLU C C 16 177.000 175.279 1.721 1
1 166 . 5 1 1 A 16 16 GLU CA C 16 56.720 57.567 -0.847 1
1 167 . 5 1 1 A 16 16 GLU CB C 16 30.090 30.430 -0.340 1
1 169 . 5 1 1 A 16 16 GLU N N 16 117.010 118.664 -1.654 1
1 170 . 5 1 1 A 17 17 ASP H H 17 8.910 8.710 0.200 1
1 171 . 5 1 1 A 17 17 ASP HA H 17 4.420 4.503 -0.083 1
1 173 . 5 1 1 A 17 17 ASP C C 17 174.500 175.351 -0.851 1
1 174 . 5 1 1 A 17 17 ASP CA C 17 54.540 55.345 -0.805 1
1 175 . 5 1 1 A 17 17 ASP CB C 17 38.700 38.838 -0.138 1
1 176 . 5 1 1 A 17 17 ASP N N 17 116.410 123.316 -6.906 1
1 177 . 5 1 1 A 18 18 VAL H H 18 6.670 7.695 -1.025 1
1 178 . 5 1 1 A 18 18 VAL HA H 18 4.840 4.442 0.398 1
1 183 . 5 1 1 A 18 18 VAL CA C 18 58.350 59.391 -1.041 1
1 184 . 5 1 1 A 18 18 VAL CB C 18 32.330 32.530 -0.200 1
1 186 . 5 1 1 A 18 18 VAL N N 18 108.460 117.796 -9.336 1
1 187 . 5 1 1 A 19 19 PRO HA H 19 4.260 4.245 0.015 1
1 193 . 5 1 1 A 19 19 PRO C C 19 177.600 177.433 0.167 1
1 194 . 5 1 1 A 19 19 PRO CA C 19 65.900 65.121 0.779 1
1 195 . 5 1 1 A 19 19 PRO CB C 19 33.200 31.757 1.443 1
1 198 . 5 1 1 A 20 20 ALA H H 20 8.270 8.026 0.244 1
1 199 . 5 1 1 A 20 20 ALA HA H 20 3.930 4.139 -0.209 1
1 203 . 5 1 1 A 20 20 ALA C C 20 177.100 178.022 -0.922 1
1 204 . 5 1 1 A 20 20 ALA CA C 20 53.150 54.372 -1.222 1
1 205 . 5 1 1 A 20 20 ALA CB C 20 19.850 18.456 1.394 1
1 206 . 5 1 1 A 20 20 ALA N N 20 112.780 118.710 -5.930 1
1 207 . 5 1 1 A 21 21 ALA H H 21 7.880 7.797 0.083 1
1 208 . 5 1 1 A 21 21 ALA HA H 21 4.040 4.080 -0.040 1
1 212 . 5 1 1 A 21 21 ALA C C 21 178.500 178.530 -0.030 1
1 213 . 5 1 1 A 21 21 ALA CA C 21 54.210 53.660 0.550 1
1 214 . 5 1 1 A 21 21 ALA CB C 21 18.010 18.529 -0.519 1
1 215 . 5 1 1 A 21 21 ALA N N 21 122.260 121.032 1.228 1
1 216 . 5 1 1 A 22 22 GLY H H 22 8.970 8.814 0.156 1
1 217 . 5 1 1 A 22 22 GLY HA2 H 22 4.120 3.979 0.141 1
1 218 . 5 1 1 A 22 22 GLY HA3 H 22 3.670 3.982 -0.312 1
1 219 . 5 1 1 A 22 22 GLY C C 22 173.300 174.862 -1.562 1
1 220 . 5 1 1 A 22 22 GLY CA C 22 45.210 45.333 -0.123 1
1 221 . 5 1 1 A 22 22 GLY N N 22 110.560 110.595 -0.035 1
1 222 . 5 1 1 A 23 23 ILE H H 23 7.700 7.958 -0.258 1
1 223 . 5 1 1 A 23 23 ILE HA H 23 3.950 4.223 -0.273 1
1 233 . 5 1 1 A 23 23 ILE C C 23 175.300 175.904 -0.604 1
1 234 . 5 1 1 A 23 23 ILE CA C 23 62.530 62.613 -0.083 1
1 235 . 5 1 1 A 23 23 ILE CB C 23 40.040 39.730 0.310 1
1 239 . 5 1 1 A 23 23 ILE N N 23 120.200 118.496 1.704 1
1 240 . 5 1 1 A 24 24 LEU H H 24 7.480 7.516 -0.036 1
1 241 . 5 1 1 A 24 24 LEU HA H 24 4.250 4.652 -0.402 1
1 248 . 5 1 1 A 24 24 LEU C C 24 174.000 175.580 -1.580 1
1 249 . 5 1 1 A 24 24 LEU CA C 24 52.990 52.957 0.033 1
1 250 . 5 1 1 A 24 24 LEU CB C 24 44.740 45.251 -0.511 1
1 253 . 5 1 1 A 24 24 LEU N N 24 116.660 118.467 -1.807 1
1 254 . 5 1 1 A 25 25 HIS H H 25 8.280 8.712 -0.432 1
1 255 . 5 1 1 A 25 25 HIS HA H 25 4.570 5.261 -0.691 1
1 259 . 5 1 1 A 25 25 HIS C C 25 173.400 173.030 0.370 1
1 260 . 5 1 1 A 25 25 HIS CA C 25 54.370 54.864 -0.494 1
1 261 . 5 1 1 A 25 25 HIS CB C 25 32.150 33.320 -1.170 1
1 263 . 5 1 1 A 25 25 HIS N N 25 115.300 123.508 -8.208 1
1 264 . 5 1 1 A 26 26 ALA H H 26 8.900 7.695 1.205 1
1 265 . 5 1 1 A 26 26 ALA HA H 26 3.730 3.686 0.044 1
1 269 . 5 1 1 A 26 26 ALA C C 26 178.500 178.124 0.376 1
1 270 . 5 1 1 A 26 26 ALA CA C 26 53.740 53.350 0.390 1
1 271 . 5 1 1 A 26 26 ALA CB C 26 18.400 18.488 -0.088 1
1 272 . 5 1 1 A 26 26 ALA N N 26 124.340 125.881 -1.541 1
1 273 . 5 1 1 A 27 27 GLY H H 27 9.430 8.561 0.869 1
1 274 . 5 1 1 A 27 27 GLY HA2 H 27 4.500 3.911 0.589 1
1 275 . 5 1 1 A 27 27 GLY HA3 H 27 3.620 3.950 -0.330 1
1 276 . 5 1 1 A 27 27 GLY C C 27 174.500 174.023 0.477 1
1 277 . 5 1 1 A 27 27 GLY CA C 27 44.900 44.943 -0.043 1
1 278 . 5 1 1 A 27 27 GLY N N 27 113.020 110.134 2.886 1
1 279 . 5 1 1 A 28 28 ASP H H 28 8.150 7.769 0.381 1
1 280 . 5 1 1 A 28 28 ASP HA H 28 5.000 4.590 0.410 1
1 282 . 5 1 1 A 28 28 ASP C C 28 173.800 175.591 -1.791 1
1 283 . 5 1 1 A 28 28 ASP CA C 28 55.510 54.293 1.217 1
1 284 . 5 1 1 A 28 28 ASP CB C 28 41.190 42.169 -0.979 1
1 285 . 5 1 1 A 28 28 ASP N N 28 121.760 122.079 -0.319 1
1 286 . 5 1 1 A 29 29 LEU H H 29 8.000 8.816 -0.816 1
1 287 . 5 1 1 A 29 29 LEU HA H 29 4.640 5.114 -0.474 1
1 294 . 5 1 1 A 29 29 LEU C C 29 176.300 175.968 0.332 1
1 295 . 5 1 1 A 29 29 LEU CA C 29 53.120 53.571 -0.451 1
1 296 . 5 1 1 A 29 29 LEU CB C 29 45.320 43.587 1.733 1
1 299 . 5 1 1 A 29 29 LEU N N 29 122.000 124.646 -2.646 1
1 300 . 5 1 1 A 30 30 ILE H H 30 9.210 8.838 0.372 1
1 301 . 5 1 1 A 30 30 ILE HA H 30 4.360 4.260 0.100 1
1 310 . 5 1 1 A 30 30 ILE C C 30 175.800 177.301 -1.501 1
1 311 . 5 1 1 A 30 30 ILE CA C 30 61.200 61.789 -0.589 1
1 312 . 5 1 1 A 30 30 ILE CB C 30 38.080 37.236 0.844 1
1 316 . 5 1 1 A 30 30 ILE N N 30 126.210 125.616 0.594 1
1 317 . 5 1 1 A 31 31 THR H H 31 8.790 9.722 -0.932 1
1 318 . 5 1 1 A 31 31 THR HA H 31 4.230 4.587 -0.357 1
1 323 . 5 1 1 A 31 31 THR C C 31 175.900 174.826 1.074 1
1 324 . 5 1 1 A 31 31 THR CA C 31 62.260 62.807 -0.547 1
1 325 . 5 1 1 A 31 31 THR CB C 31 69.320 69.373 -0.053 1
1 327 . 5 1 1 A 31 31 THR N N 31 117.100 120.023 -2.923 1
1 328 . 5 1 1 A 32 32 GLU H H 32 7.790 7.431 0.359 1
1 329 . 5 1 1 A 32 32 GLU HA H 32 5.080 4.826 0.254 1
1 333 . 5 1 1 A 32 32 GLU C C 32 174.700 173.876 0.824 1
1 334 . 5 1 1 A 32 32 GLU CA C 32 55.870 56.046 -0.176 1
1 335 . 5 1 1 A 32 32 GLU CB C 32 35.300 33.531 1.769 1
1 337 . 5 1 1 A 32 32 GLU N N 32 120.420 119.620 0.800 1
1 338 . 5 1 1 A 33 33 ILE H H 33 8.770 8.613 0.157 1
1 339 . 5 1 1 A 33 33 ILE HA H 33 5.220 4.537 0.683 1
1 348 . 5 1 1 A 33 33 ILE C C 33 174.200 174.064 0.136 1
1 349 . 5 1 1 A 33 33 ILE CA C 33 59.380 60.070 -0.690 1
1 350 . 5 1 1 A 33 33 ILE CB C 33 41.120 40.586 0.534 1
1 354 . 5 1 1 A 33 33 ILE N N 33 119.470 125.232 -5.762 1
1 355 . 5 1 1 A 34 34 ASP H H 34 10.100 8.841 1.259 1
1 356 . 5 1 1 A 34 34 ASP HA H 34 4.430 4.245 0.185 1
1 359 . 5 1 1 A 34 34 ASP C C 34 176.200 176.081 0.119 1
1 360 . 5 1 1 A 34 34 ASP CA C 34 55.530 55.294 0.236 1
1 361 . 5 1 1 A 34 34 ASP CB C 34 39.000 39.178 -0.178 1
1 362 . 5 1 1 A 34 34 ASP N N 34 128.840 130.008 -1.168 1
1 363 . 5 1 1 A 35 35 GLY H H 35 8.860 8.529 0.331 1
1 364 . 5 1 1 A 35 35 GLY HA2 H 35 3.630 3.781 -0.151 1
1 365 . 5 1 1 A 35 35 GLY HA3 H 35 3.970 3.784 0.186 1
1 366 . 5 1 1 A 35 35 GLY C C 35 173.900 173.286 0.614 1
1 367 . 5 1 1 A 35 35 GLY CA C 35 45.580 45.365 0.215 1
1 368 . 5 1 1 A 35 35 GLY N N 35 103.110 104.638 -1.528 1
1 369 . 5 1 1 A 36 36 GLN H H 36 8.070 7.523 0.547 1
1 370 . 5 1 1 A 36 36 GLN HA H 36 4.240 4.647 -0.407 1
1 374 . 5 1 1 A 36 36 GLN C C 36 174.200 174.180 0.020 1
1 375 . 5 1 1 A 36 36 GLN CA C 36 54.250 53.836 0.414 1
1 376 . 5 1 1 A 36 36 GLN CB C 36 30.870 32.167 -1.297 1
1 378 . 5 1 1 A 36 36 GLN N N 36 119.670 115.392 4.278 1
1 379 . 5 1 1 A 37 37 SER H H 37 8.290 8.139 0.151 1
1 380 . 5 1 1 A 37 37 SER HA H 37 3.750 4.563 -0.813 1
1 382 . 5 1 1 A 37 37 SER C C 37 173.500 174.171 -0.671 1
1 383 . 5 1 1 A 37 37 SER CA C 37 56.280 58.408 -2.128 1
1 384 . 5 1 1 A 37 37 SER CB C 37 63.630 64.117 -0.487 1
1 385 . 5 1 1 A 37 37 SER N N 37 118.770 113.468 5.302 1
1 386 . 5 1 1 A 38 38 PHE H H 38 6.960 6.872 0.088 1
1 387 . 5 1 1 A 38 38 PHE HA H 38 3.090 4.519 -1.429 1
1 391 . 5 1 1 A 38 38 PHE C C 38 175.600 175.584 0.016 1
1 392 . 5 1 1 A 38 38 PHE CA C 38 56.590 57.458 -0.868 1
1 393 . 5 1 1 A 38 38 PHE CB C 38 40.910 40.256 0.654 1
1 396 . 5 1 1 A 38 38 PHE N N 38 120.740 120.126 0.614 1
1 397 . 5 1 1 A 39 39 LYS H H 39 8.740 9.272 -0.532 1
1 398 . 5 1 1 A 39 39 LYS HA H 39 4.160 4.012 0.148 1
1 402 . 5 1 1 A 39 39 LYS C C 39 175.500 175.469 0.031 1
1 403 . 5 1 1 A 39 39 LYS CA C 39 56.500 57.396 -0.896 1
1 404 . 5 1 1 A 39 39 LYS CB C 39 33.210 31.565 1.645 1
1 408 . 5 1 1 A 39 39 LYS N N 39 118.100 120.384 -2.284 1
1 409 . 5 1 1 A 40 40 SER H H 40 7.480 8.486 -1.006 1
1 410 . 5 1 1 A 40 40 SER HA H 40 3.830 4.572 -0.742 1
1 412 . 5 1 1 A 40 40 SER C C 40 174.800 174.649 0.151 1
1 413 . 5 1 1 A 40 40 SER CA C 40 56.380 59.279 -2.899 1
1 414 . 5 1 1 A 40 40 SER CB C 40 66.790 61.948 4.842 1
1 415 . 5 1 1 A 40 40 SER N N 40 111.180 108.522 2.658 1
1 416 . 5 1 1 A 41 41 SER H H 41 10.310 8.765 1.545 1
1 417 . 5 1 1 A 41 41 SER HA H 41 3.780 4.175 -0.395 1
1 419 . 5 1 1 A 41 41 SER C C 41 176.300 176.368 -0.068 1
1 420 . 5 1 1 A 41 41 SER CA C 41 62.530 62.006 0.524 1
1 421 . 5 1 1 A 41 41 SER CB C 41 66.770 62.965 3.805 1
1 422 . 5 1 1 A 41 41 SER N N 41 121.470 120.535 0.935 1
1 423 . 5 1 1 A 42 42 GLN H H 42 8.510 8.182 0.328 1
1 424 . 5 1 1 A 42 42 GLN HA H 42 3.830 4.008 -0.178 1
1 426 . 5 1 1 A 42 42 GLN C C 42 177.300 178.857 -1.557 1
1 427 . 5 1 1 A 42 42 GLN CA C 42 58.480 59.204 -0.724 1
1 428 . 5 1 1 A 42 42 GLN CB C 42 28.450 28.413 0.037 1
1 430 . 5 1 1 A 42 42 GLN N N 42 121.500 121.016 0.484 1
1 431 . 5 1 1 A 43 43 GLU H H 43 7.470 8.719 -1.249 1
1 432 . 5 1 1 A 43 43 GLU HA H 43 3.840 4.076 -0.236 1
1 434 . 5 1 1 A 43 43 GLU C C 43 179.200 179.129 0.071 1
1 435 . 5 1 1 A 43 43 GLU CA C 43 59.110 59.286 -0.176 1
1 436 . 5 1 1 A 43 43 GLU CB C 43 29.990 29.252 0.738 1
1 438 . 5 1 1 A 43 43 GLU N N 43 116.740 119.225 -2.485 1
1 439 . 5 1 1 A 44 44 PHE H H 44 7.320 8.527 -1.207 1
1 440 . 5 1 1 A 44 44 PHE HA H 44 3.630 4.195 -0.565 1
1 444 . 5 1 1 A 44 44 PHE C C 44 176.800 177.043 -0.243 1
1 445 . 5 1 1 A 44 44 PHE CA C 44 62.270 61.341 0.929 1
1 446 . 5 1 1 A 44 44 PHE CB C 44 39.920 38.944 0.976 1
1 449 . 5 1 1 A 44 44 PHE N N 44 118.660 120.596 -1.936 1
1 450 . 5 1 1 A 45 45 ILE H H 45 8.120 7.950 0.170 1
1 451 . 5 1 1 A 45 45 ILE HA H 45 3.390 3.629 -0.239 1
1 461 . 5 1 1 A 45 45 ILE C C 45 177.600 177.443 0.157 1
1 462 . 5 1 1 A 45 45 ILE CA C 45 64.000 64.294 -0.294 1
1 463 . 5 1 1 A 45 45 ILE CB C 45 37.440 37.073 0.367 1
1 467 . 5 1 1 A 45 45 ILE N N 45 119.470 120.399 -0.929 1
1 468 . 5 1 1 A 46 46 ASP H H 46 8.590 8.160 0.430 1
1 469 . 5 1 1 A 46 46 ASP HA H 46 4.180 4.199 -0.019 1
1 471 . 5 1 1 A 46 46 ASP C C 46 178.900 177.770 1.130 1
1 472 . 5 1 1 A 46 46 ASP CA C 46 57.000 57.098 -0.098 1
1 473 . 5 1 1 A 46 46 ASP CB C 46 39.350 40.755 -1.405 1
1 474 . 5 1 1 A 46 46 ASP N N 46 119.870 121.974 -2.104 1
1 475 . 5 1 1 A 47 47 TYR H H 47 7.530 7.721 -0.191 1
1 476 . 5 1 1 A 47 47 TYR HA H 47 4.090 4.233 -0.143 1
1 480 . 5 1 1 A 47 47 TYR C C 47 179.500 177.203 2.297 1
1 481 . 5 1 1 A 47 47 TYR CA C 47 61.960 60.855 1.105 1
1 482 . 5 1 1 A 47 47 TYR CB C 47 38.350 38.672 -0.322 1
1 485 . 5 1 1 A 47 47 TYR N N 47 120.170 120.892 -0.722 1
1 486 . 5 1 1 A 48 48 ILE H H 48 8.020 7.658 0.362 1
1 487 . 5 1 1 A 48 48 ILE HA H 48 3.200 2.743 0.457 1
1 497 . 5 1 1 A 48 48 ILE C C 48 177.000 177.766 -0.766 1
1 498 . 5 1 1 A 48 48 ILE CA C 48 65.450 65.177 0.273 1
1 499 . 5 1 1 A 48 48 ILE CB C 48 36.770 37.579 -0.809 1
1 503 . 5 1 1 A 48 48 ILE N N 48 122.120 120.339 1.781 1
1 504 . 5 1 1 A 49 49 HIS H H 49 8.250 7.739 0.511 1
1 505 . 5 1 1 A 49 49 HIS HA H 49 4.490 4.215 0.275 1
1 507 . 5 1 1 A 49 49 HIS C C 49 174.300 176.479 -2.179 1
1 508 . 5 1 1 A 49 49 HIS CA C 49 55.550 59.801 -4.251 1
1 509 . 5 1 1 A 49 49 HIS CB C 49 28.650 29.463 -0.813 1
1 510 . 5 1 1 A 49 49 HIS N N 49 112.280 118.850 -6.570 1
1 511 . 5 1 1 A 50 50 SER H H 50 7.700 7.371 0.329 1
1 512 . 5 1 1 A 50 50 SER HA H 50 3.970 4.374 -0.404 1
1 514 . 5 1 1 A 50 50 SER C C 50 174.300 174.306 -0.006 1
1 515 . 5 1 1 A 50 50 SER CA C 50 59.300 58.710 0.590 1
1 516 . 5 1 1 A 50 50 SER CB C 50 63.840 63.485 0.355 1
1 517 . 5 1 1 A 50 50 SER N N 50 115.110 112.594 2.516 1
1 518 . 5 1 1 A 51 51 LYS H H 51 7.060 7.368 -0.308 1
1 519 . 5 1 1 A 51 51 LYS HA H 51 4.320 4.688 -0.368 1
1 527 . 5 1 1 A 51 51 LYS C C 51 173.100 175.295 -2.195 1
1 528 . 5 1 1 A 51 51 LYS CA C 51 53.730 55.285 -1.555 1
1 529 . 5 1 1 A 51 51 LYS CB C 51 31.350 34.334 -2.984 1
1 533 . 5 1 1 A 51 51 LYS N N 51 123.340 120.679 2.661 1
1 534 . 5 1 1 A 52 52 LYS H H 52 8.250 8.617 -0.367 1
1 535 . 5 1 1 A 52 52 LYS HA H 52 4.610 4.870 -0.260 1
1 540 . 5 1 1 A 52 52 LYS C C 52 177.000 176.183 0.817 1
1 541 . 5 1 1 A 52 52 LYS CA C 52 54.060 54.273 -0.213 1
1 542 . 5 1 1 A 52 52 LYS CB C 52 34.900 35.638 -0.738 1
1 546 . 5 1 1 A 52 52 LYS N N 52 115.990 121.225 -5.235 1
1 547 . 5 1 1 A 53 53 VAL H H 53 8.520 8.509 0.011 1
1 548 . 5 1 1 A 53 53 VAL HA H 53 3.050 3.653 -0.603 1
1 556 . 5 1 1 A 53 53 VAL C C 53 177.200 177.147 0.053 1
1 557 . 5 1 1 A 53 53 VAL CA C 53 66.270 65.456 0.814 1
1 558 . 5 1 1 A 53 53 VAL CB C 53 31.290 31.418 -0.128 1
1 561 . 5 1 1 A 53 53 VAL N N 53 120.780 122.016 -1.236 1
1 562 . 5 1 1 A 54 54 GLY H H 54 8.310 8.780 -0.470 1
1 563 . 5 1 1 A 54 54 GLY HA2 H 54 3.520 4.015 -0.495 1
1 564 . 5 1 1 A 54 54 GLY HA3 H 54 4.520 4.018 0.502 1
1 565 . 5 1 1 A 54 54 GLY C C 54 174.500 173.827 0.673 1
1 566 . 5 1 1 A 54 54 GLY CA C 54 45.010 44.897 0.113 1
1 567 . 5 1 1 A 54 54 GLY N N 54 116.140 115.470 0.670 1
1 568 . 5 1 1 A 55 55 ASP H H 55 8.110 7.671 0.439 1
1 569 . 5 1 1 A 55 55 ASP HA H 55 4.710 4.708 0.002 1
1 572 . 5 1 1 A 55 55 ASP C C 55 175.000 175.812 -0.812 1
1 573 . 5 1 1 A 55 55 ASP CA C 55 54.950 55.050 -0.100 1
1 574 . 5 1 1 A 55 55 ASP CB C 55 41.300 41.588 -0.288 1
1 575 . 5 1 1 A 55 55 ASP N N 55 121.670 121.727 -0.057 1
1 576 . 5 1 1 A 56 56 THR H H 56 8.670 8.502 0.168 1
1 577 . 5 1 1 A 56 56 THR HA H 56 3.920 4.758 -0.838 1
1 582 . 5 1 1 A 56 56 THR C C 56 175.200 173.601 1.599 1
1 583 . 5 1 1 A 56 56 THR CA C 56 62.350 61.895 0.455 1
1 584 . 5 1 1 A 56 56 THR CB C 56 70.380 70.724 -0.344 1
1 586 . 5 1 1 A 56 56 THR N N 56 115.670 117.174 -1.504 1
1 587 . 5 1 1 A 57 57 VAL H H 57 8.990 8.505 0.485 1
1 588 . 5 1 1 A 57 57 VAL HA H 57 5.190 4.856 0.334 1
1 596 . 5 1 1 A 57 57 VAL C C 57 173.900 172.968 0.932 1
1 597 . 5 1 1 A 57 57 VAL CA C 57 58.570 59.597 -1.027 1
1 598 . 5 1 1 A 57 57 VAL CB C 57 34.480 35.730 -1.250 1
1 601 . 5 1 1 A 57 57 VAL N N 57 119.230 120.642 -1.412 1
1 602 . 5 1 1 A 58 58 LYS H H 58 9.000 8.681 0.319 1
1 603 . 5 1 1 A 58 58 LYS HA H 58 5.170 5.017 0.153 1
1 608 . 5 1 1 A 58 58 LYS C C 58 176.400 174.172 2.228 1
1 609 . 5 1 1 A 58 58 LYS CA C 58 54.990 54.641 0.349 1
1 610 . 5 1 1 A 58 58 LYS CB C 58 33.510 34.737 -1.227 1
1 614 . 5 1 1 A 58 58 LYS N N 58 123.700 125.340 -1.640 1
1 615 . 5 1 1 A 59 59 ILE H H 59 9.460 8.893 0.567 1
1 616 . 5 1 1 A 59 59 ILE HA H 59 5.100 4.993 0.107 1
1 626 . 5 1 1 A 59 59 ILE C C 59 175.100 174.257 0.843 1
1 627 . 5 1 1 A 59 59 ILE CA C 59 59.940 59.925 0.015 1
1 628 . 5 1 1 A 59 59 ILE CB C 59 41.740 41.154 0.586 1
1 632 . 5 1 1 A 59 59 ILE N N 59 125.190 128.154 -2.964 1
1 633 . 5 1 1 A 60 60 LYS H H 60 8.780 8.380 0.400 1
1 634 . 5 1 1 A 60 60 LYS HA H 60 5.210 5.233 -0.023 1
1 639 . 5 1 1 A 60 60 LYS C C 60 175.000 174.684 0.316 1
1 640 . 5 1 1 A 60 60 LYS CA C 60 55.910 54.830 1.080 1
1 641 . 5 1 1 A 60 60 LYS CB C 60 34.340 35.504 -1.164 1
1 645 . 5 1 1 A 60 60 LYS N N 60 126.140 128.355 -2.215 1
1 646 . 5 1 1 A 61 61 TYR H H 61 8.660 8.572 0.088 1
1 647 . 5 1 1 A 61 61 TYR HA H 61 5.680 5.365 0.315 1
1 651 . 5 1 1 A 61 61 TYR CA C 61 55.090 55.957 -0.867 1
1 652 . 5 1 1 A 61 61 TYR CB C 61 41.640 41.738 -0.098 1
1 655 . 5 1 1 A 61 61 TYR N N 61 120.100 122.608 -2.508 1
1 656 . 5 1 1 A 62 62 LYS H H 62 9.590 8.636 0.954 1
1 657 . 5 1 1 A 62 62 LYS C C 62 172.100 174.777 -2.677 1
1 658 . 5 1 1 A 62 62 LYS CA C 62 54.820 55.173 -0.353 1
1 659 . 5 1 1 A 62 62 LYS CB C 62 35.540 34.206 1.334 1
1 660 . 5 1 1 A 62 62 LYS N N 62 120.730 120.605 0.125 1
1 661 . 5 1 1 A 63 63 HIS H H 63 8.570 8.413 0.157 1
1 662 . 5 1 1 A 63 63 HIS HA H 63 5.240 4.905 0.335 1
1 665 . 5 1 1 A 63 63 HIS C C 63 175.200 175.271 -0.071 1
1 666 . 5 1 1 A 63 63 HIS CA C 63 54.100 56.170 -2.070 1
1 667 . 5 1 1 A 63 63 HIS CB C 63 30.300 30.980 -0.680 1
1 668 . 5 1 1 A 63 63 HIS N N 63 123.800 125.778 -1.978 1
1 669 . 5 1 1 A 64 64 GLY H H 64 9.080 8.683 0.397 1
1 670 . 5 1 1 A 64 64 GLY HA2 H 64 3.730 3.576 0.154 1
1 671 . 5 1 1 A 64 64 GLY C C 64 174.200 174.569 -0.369 1
1 672 . 5 1 1 A 64 64 GLY CA C 64 47.090 47.218 -0.128 1
1 673 . 5 1 1 A 64 64 GLY N N 64 119.110 115.832 3.278 1
1 674 . 5 1 1 A 65 65 ASN H H 65 8.770 8.658 0.112 1
1 675 . 5 1 1 A 65 65 ASN HA H 65 4.650 4.810 -0.160 1
1 677 . 5 1 1 A 65 65 ASN C C 65 174.600 174.841 -0.241 1
1 678 . 5 1 1 A 65 65 ASN CA C 65 53.080 52.642 0.438 1
1 679 . 5 1 1 A 65 65 ASN CB C 65 38.700 38.665 0.035 1
1 680 . 5 1 1 A 65 65 ASN N N 65 122.390 124.425 -2.035 1
1 681 . 5 1 1 A 66 66 LYS H H 66 7.830 7.426 0.404 1
1 682 . 5 1 1 A 66 66 LYS HA H 66 4.470 4.914 -0.444 1
1 686 . 5 1 1 A 66 66 LYS C C 66 174.900 175.623 -0.723 1
1 687 . 5 1 1 A 66 66 LYS CA C 66 55.490 55.193 0.297 1
1 688 . 5 1 1 A 66 66 LYS CB C 66 34.670 34.317 0.353 1
1 692 . 5 1 1 A 66 66 LYS N N 66 120.640 116.990 3.650 1
1 693 . 5 1 1 A 67 67 ASN H H 67 8.570 8.967 -0.397 1
1 694 . 5 1 1 A 67 67 ASN HA H 67 4.860 5.092 -0.232 1
1 696 . 5 1 1 A 67 67 ASN C C 67 174.700 175.023 -0.323 1
1 697 . 5 1 1 A 67 67 ASN CA C 67 53.680 52.997 0.683 1
1 698 . 5 1 1 A 67 67 ASN CB C 67 39.050 39.218 -0.168 1
1 699 . 5 1 1 A 67 67 ASN N N 67 123.400 122.079 1.321 1
1 700 . 5 1 1 A 68 68 GLU H H 68 8.970 8.138 0.832 1
1 701 . 5 1 1 A 68 68 GLU HA H 68 4.630 5.205 -0.575 1
1 704 . 5 1 1 A 68 68 GLU C C 68 174.500 175.008 -0.508 1
1 705 . 5 1 1 A 68 68 GLU CA C 68 54.130 54.586 -0.456 1
1 706 . 5 1 1 A 68 68 GLU CB C 68 32.450 33.096 -0.646 1
1 708 . 5 1 1 A 68 68 GLU N N 68 123.040 122.796 0.244 1
1 709 . 5 1 1 A 69 69 GLU H H 69 8.440 8.757 -0.317 1
1 710 . 5 1 1 A 69 69 GLU HA H 69 5.500 5.011 0.489 1
1 713 . 5 1 1 A 69 69 GLU C C 69 175.000 175.066 -0.066 1
1 714 . 5 1 1 A 69 69 GLU CA C 69 55.010 55.016 -0.006 1
1 715 . 5 1 1 A 69 69 GLU CB C 69 33.200 33.044 0.156 1
1 717 . 5 1 1 A 69 69 GLU N N 69 118.940 123.683 -4.743 1
1 718 . 5 1 1 A 70 70 ALA H H 70 9.140 8.422 0.718 1
1 719 . 5 1 1 A 70 70 ALA HA H 70 4.840 4.955 -0.115 1
1 723 . 5 1 1 A 70 70 ALA C C 70 175.500 176.056 -0.556 1
1 724 . 5 1 1 A 70 70 ALA CA C 70 51.720 51.265 0.455 1
1 725 . 5 1 1 A 70 70 ALA CB C 70 23.780 23.182 0.598 1
1 726 . 5 1 1 A 70 70 ALA N N 70 124.420 127.865 -3.445 1
1 727 . 5 1 1 A 71 71 SER H H 71 8.640 8.706 -0.066 1
1 728 . 5 1 1 A 71 71 SER HA H 71 5.480 4.982 0.498 1
1 731 . 5 1 1 A 71 71 SER C C 71 173.900 174.249 -0.349 1
1 732 . 5 1 1 A 71 71 SER CA C 71 57.470 57.173 0.297 1
1 733 . 5 1 1 A 71 71 SER CB C 71 63.760 64.460 -0.700 1
1 734 . 5 1 1 A 71 71 SER N N 71 118.040 115.790 2.250 1
1 735 . 5 1 1 A 72 72 ILE H H 72 9.100 8.837 0.263 1
1 736 . 5 1 1 A 72 72 ILE HA H 72 4.340 4.761 -0.421 1
1 746 . 5 1 1 A 72 72 ILE C C 72 173.500 174.304 -0.804 1
1 747 . 5 1 1 A 72 72 ILE CA C 72 60.140 60.525 -0.385 1
1 748 . 5 1 1 A 72 72 ILE CB C 72 41.920 41.286 0.634 1
1 752 . 5 1 1 A 72 72 ILE N N 72 124.670 124.310 0.360 1
1 753 . 5 1 1 A 73 73 LYS H H 73 8.530 8.589 -0.059 1
1 754 . 5 1 1 A 73 73 LYS HA H 73 4.810 4.766 0.044 1
1 759 . 5 1 1 A 73 73 LYS C C 73 176.000 176.997 -0.997 1
1 760 . 5 1 1 A 73 73 LYS CA C 73 55.630 55.833 -0.203 1
1 761 . 5 1 1 A 73 73 LYS CB C 73 33.440 33.690 -0.250 1
1 765 . 5 1 1 A 73 73 LYS N N 73 128.060 128.682 -0.622 1
1 766 . 5 1 1 A 74 74 LEU H H 74 8.900 8.931 -0.031 1
1 767 . 5 1 1 A 74 74 LEU HA H 74 4.230 4.403 -0.173 1
1 774 . 5 1 1 A 74 74 LEU C C 74 178.400 176.476 1.924 1
1 775 . 5 1 1 A 74 74 LEU CA C 74 55.520 55.269 0.251 1
1 776 . 5 1 1 A 74 74 LEU CB C 74 42.240 42.339 -0.099 1
1 779 . 5 1 1 A 74 74 LEU N N 74 123.270 125.763 -2.493 1
1 780 . 5 1 1 A 75 75 THR H H 75 8.550 8.876 -0.326 1
1 781 . 5 1 1 A 75 75 THR HA H 75 4.680 5.144 -0.464 1
1 786 . 5 1 1 A 75 75 THR C C 75 172.600 172.949 -0.349 1
1 787 . 5 1 1 A 75 75 THR CA C 75 59.400 59.355 0.045 1
1 788 . 5 1 1 A 75 75 THR CB C 75 71.300 72.365 -1.065 1
1 790 . 5 1 1 A 75 75 THR N N 75 116.480 114.530 1.950 1
1 791 . 5 1 1 A 76 76 ALA H H 76 8.360 8.468 -0.108 1
1 792 . 5 1 1 A 76 76 ALA HA H 76 4.490 4.604 -0.114 1
1 796 . 5 1 1 A 76 76 ALA C C 76 179.100 177.878 1.222 1
1 797 . 5 1 1 A 76 76 ALA CA C 76 51.730 51.361 0.369 1
1 798 . 5 1 1 A 76 76 ALA CB C 76 18.930 20.069 -1.139 1
1 799 . 5 1 1 A 76 76 ALA N N 76 123.400 123.843 -0.443 1
1 800 . 5 1 1 A 77 77 ILE H H 77 8.850 8.772 0.078 1
1 801 . 5 1 1 A 77 77 ILE HA H 77 4.370 4.415 -0.045 1
1 811 . 5 1 1 A 77 77 ILE C C 77 174.900 175.382 -0.482 1
1 812 . 5 1 1 A 77 77 ILE CA C 77 59.850 61.482 -1.632 1
1 813 . 5 1 1 A 77 77 ILE CB C 77 39.200 39.854 -0.654 1
1 817 . 5 1 1 A 77 77 ILE N N 77 118.310 117.752 0.558 1
1 818 . 5 1 1 A 78 78 ASP H H 78 7.580 7.749 -0.169 1
1 819 . 5 1 1 A 78 78 ASP HA H 78 4.670 4.876 -0.206 1
1 822 . 5 1 1 A 78 78 ASP C C 78 177.300 177.139 0.161 1
1 823 . 5 1 1 A 78 78 ASP CA C 78 52.500 52.935 -0.435 1
1 824 . 5 1 1 A 78 78 ASP CB C 78 42.100 42.209 -0.109 1
1 825 . 5 1 1 A 78 78 ASP N N 78 118.160 121.739 -3.579 1
1 826 . 5 1 1 A 79 79 LYS H H 79 8.380 8.842 -0.462 1
1 827 . 5 1 1 A 79 79 LYS HA H 79 4.200 4.088 0.112 1
1 832 . 5 1 1 A 79 79 LYS C C 79 177.200 177.325 -0.125 1
1 833 . 5 1 1 A 79 79 LYS CA C 79 57.620 58.964 -1.344 1
1 834 . 5 1 1 A 79 79 LYS CB C 79 31.940 31.942 -0.002 1
1 838 . 5 1 1 A 79 79 LYS N N 79 117.260 121.964 -4.704 1
1 839 . 5 1 1 A 80 80 LYS H H 80 7.900 7.803 0.097 1
1 840 . 5 1 1 A 80 80 LYS HA H 80 4.350 4.224 0.126 1
1 845 . 5 1 1 A 80 80 LYS C C 80 176.800 177.720 -0.920 1
1 846 . 5 1 1 A 80 80 LYS CA C 80 56.070 55.593 0.477 1
1 847 . 5 1 1 A 80 80 LYS CB C 80 32.430 31.496 0.934 1
1 851 . 5 1 1 A 80 80 LYS N N 80 118.240 116.046 2.194 1
1 852 . 5 1 1 A 81 81 GLY H H 81 7.850 7.983 -0.133 1
1 853 . 5 1 1 A 81 81 GLY HA2 H 81 4.170 3.873 0.297 1
1 854 . 5 1 1 A 81 81 GLY HA3 H 81 3.520 3.876 -0.356 1
1 855 . 5 1 1 A 81 81 GLY C C 81 173.700 174.894 -1.194 1
1 856 . 5 1 1 A 81 81 GLY CA C 81 45.340 47.128 -1.788 1
1 857 . 5 1 1 A 81 81 GLY N N 81 107.740 109.123 -1.383 1
1 858 . 5 1 1 A 82 82 THR H H 82 8.760 8.112 0.648 1
1 859 . 5 1 1 A 82 82 THR HA H 82 4.060 4.300 -0.240 1
1 864 . 5 1 1 A 82 82 THR CA C 82 61.340 60.092 1.248 1
1 865 . 5 1 1 A 82 82 THR CB C 82 68.440 69.166 -0.726 1
1 867 . 5 1 1 A 82 82 THR N N 82 122.360 115.928 6.432 1
1 868 . 5 1 1 A 83 83 PRO HA H 83 4.760 4.579 0.181 1
1 874 . 5 1 1 A 83 83 PRO C C 83 177.100 176.124 0.976 1
1 875 . 5 1 1 A 83 83 PRO CA C 83 61.750 63.540 -1.790 1
1 876 . 5 1 1 A 83 83 PRO CB C 83 33.000 31.675 1.325 1
1 879 . 5 1 1 A 84 84 GLY H H 84 8.870 8.098 0.772 1
1 880 . 5 1 1 A 84 84 GLY HA2 H 84 4.140 4.188 -0.048 1
1 881 . 5 1 1 A 84 84 GLY C C 84 171.400 172.310 -0.910 1
1 882 . 5 1 1 A 84 84 GLY CA C 84 46.360 45.414 0.946 1
1 883 . 5 1 1 A 84 84 GLY N N 84 104.120 109.138 -5.018 1
1 884 . 5 1 1 A 85 85 ILE H H 85 8.920 8.738 0.182 1
1 885 . 5 1 1 A 85 85 ILE HA H 85 4.570 4.753 -0.183 1
1 895 . 5 1 1 A 85 85 ILE C C 85 175.100 175.200 -0.100 1
1 896 . 5 1 1 A 85 85 ILE CA C 85 61.110 58.898 2.212 1
1 897 . 5 1 1 A 85 85 ILE CB C 85 40.020 40.541 -0.521 1
1 901 . 5 1 1 A 85 85 ILE N N 85 112.690 116.205 -3.515 1
1 902 . 5 1 1 A 86 86 GLY H H 86 8.980 8.661 0.319 1
1 903 . 5 1 1 A 86 86 GLY HA2 H 86 3.770 4.100 -0.330 1
1 904 . 5 1 1 A 86 86 GLY HA3 H 86 4.160 4.104 0.056 1
1 905 . 5 1 1 A 86 86 GLY C C 86 173.300 173.084 0.216 1
1 906 . 5 1 1 A 86 86 GLY CA C 86 45.960 45.887 0.073 1
1 907 . 5 1 1 A 86 86 GLY N N 86 112.050 109.339 2.711 1
1 908 . 5 1 1 A 87 87 ILE H H 87 7.290 8.582 -1.292 1
1 909 . 5 1 1 A 87 87 ILE HA H 87 5.170 5.182 -0.012 1
1 918 . 5 1 1 A 87 87 ILE C C 87 174.800 174.451 0.349 1
1 919 . 5 1 1 A 87 87 ILE CA C 87 58.850 58.749 0.101 1
1 920 . 5 1 1 A 87 87 ILE CB C 87 41.480 42.641 -1.161 1
1 924 . 5 1 1 A 87 87 ILE N N 87 110.880 118.751 -7.871 1
1 925 . 5 1 1 A 88 88 THR H H 88 8.350 8.651 -0.301 1
1 926 . 5 1 1 A 88 88 THR HA H 88 4.580 5.022 -0.442 1
1 931 . 5 1 1 A 88 88 THR C C 88 173.700 173.304 0.396 1
1 932 . 5 1 1 A 88 88 THR CA C 88 61.410 61.763 -0.353 1
1 933 . 5 1 1 A 88 88 THR CB C 88 70.570 71.690 -1.120 1
1 935 . 5 1 1 A 88 88 THR N N 88 116.050 116.537 -0.487 1
1 936 . 5 1 1 A 89 89 LEU H H 89 8.950 9.113 -0.163 1
1 937 . 5 1 1 A 89 89 LEU HA H 89 5.210 5.380 -0.170 1
1 944 . 5 1 1 A 89 89 LEU C C 89 176.000 176.339 -0.339 1
1 945 . 5 1 1 A 89 89 LEU CA C 89 53.600 53.372 0.228 1
1 946 . 5 1 1 A 89 89 LEU CB C 89 44.840 44.812 0.028 1
1 949 . 5 1 1 A 89 89 LEU N N 89 126.710 126.298 0.412 1
1 950 . 5 1 1 A 90 90 VAL H H 90 8.820 7.988 0.832 1
1 951 . 5 1 1 A 90 90 VAL HA H 90 4.320 4.553 -0.233 1
1 956 . 5 1 1 A 90 90 VAL C C 90 174.600 175.094 -0.494 1
1 957 . 5 1 1 A 90 90 VAL CA C 90 61.300 59.643 1.657 1
1 958 . 5 1 1 A 90 90 VAL CB C 90 34.850 34.380 0.470 1
1 961 . 5 1 1 A 90 90 VAL N N 90 117.740 118.419 -0.679 1
1 962 . 5 1 1 A 91 91 ASP H H 91 8.510 9.120 -0.610 1
1 963 . 5 1 1 A 91 91 ASP HA H 91 4.890 4.280 0.610 1
1 965 . 5 1 1 A 91 91 ASP C C 91 176.000 176.416 -0.416 1
1 966 . 5 1 1 A 91 91 ASP CA C 91 54.920 55.116 -0.196 1
1 967 . 5 1 1 A 91 91 ASP CB C 91 41.590 40.430 1.160 1
1 968 . 5 1 1 A 91 91 ASP N N 91 123.890 121.972 1.918 1
1 969 . 5 1 1 A 92 92 ASP H H 92 8.390 7.999 0.391 1
1 970 . 5 1 1 A 92 92 ASP HA H 92 4.730 4.926 -0.196 1
1 972 . 5 1 1 A 92 92 ASP C C 92 175.800 176.911 -1.111 1
1 973 . 5 1 1 A 92 92 ASP CA C 92 53.890 53.361 0.529 1
1 974 . 5 1 1 A 92 92 ASP CB C 92 41.650 41.862 -0.212 1
1 975 . 5 1 1 A 92 92 ASP N N 92 119.860 116.461 3.399 1
1 976 . 5 1 1 A 93 93 LEU H H 93 8.180 8.031 0.149 1
1 977 . 5 1 1 A 93 93 LEU HA H 93 4.130 4.391 -0.261 1
1 983 . 5 1 1 A 93 93 LEU C C 93 177.700 177.126 0.574 1
1 984 . 5 1 1 A 93 93 LEU CA C 93 55.920 57.049 -1.129 1
1 985 . 5 1 1 A 93 93 LEU CB C 93 42.120 42.315 -0.195 1
1 989 . 5 1 1 A 93 93 LEU N N 93 122.430 118.595 3.835 1
1 990 . 5 1 1 A 94 94 GLU H H 94 8.240 7.973 0.267 1
1 991 . 5 1 1 A 94 94 GLU HA H 94 4.070 4.273 -0.203 1
1 995 . 5 1 1 A 94 94 GLU C C 94 176.500 176.832 -0.332 1
1 996 . 5 1 1 A 94 94 GLU CA C 94 56.790 55.570 1.220 1
1 997 . 5 1 1 A 94 94 GLU CB C 94 29.440 28.454 0.986 1
1 999 . 5 1 1 A 94 94 GLU N N 94 118.890 120.425 -1.535 1
1 1000 . 5 1 1 A 95 95 HIS H H 95 8.250 9.536 -1.286 1
1 1001 . 5 1 1 A 95 95 HIS CA C 95 55.680 56.569 -0.889 1
1 1002 . 5 1 1 A 95 95 HIS CB C 95 28.300 31.069 -2.769 1
1 1003 . 5 1 1 A 95 95 HIS N N 95 117.130 126.710 -9.580 1
1 1004 . 5 1 1 A 96 96 HIS H H 96 8.440 7.497 0.943 1
1 1005 . 5 1 1 A 96 96 HIS CA C 96 55.550 54.767 0.783 1
1 1006 . 5 1 1 A 96 96 HIS CB C 96 28.830 32.277 -3.447 1
1 5 . 6 1 1 A 2 2 VAL HA H 2 3.810 3.850 -0.040 1
1 10 . 6 1 1 A 2 2 VAL C C 2 171.900 177.566 -5.666 1
1 11 . 6 1 1 A 2 2 VAL CA C 2 61.200 65.440 -4.240 1
1 12 . 6 1 1 A 2 2 VAL CB C 2 32.900 30.953 1.947 1
1 14 . 6 1 1 A 3 3 LYS H H 3 8.620 7.799 0.821 1
1 15 . 6 1 1 A 3 3 LYS HA H 3 4.400 4.233 0.167 1
1 19 . 6 1 1 A 3 3 LYS C C 3 175.800 176.322 -0.522 1
1 20 . 6 1 1 A 3 3 LYS CA C 3 56.240 58.100 -1.860 1
1 21 . 6 1 1 A 3 3 LYS CB C 3 33.190 32.547 0.643 1
1 25 . 6 1 1 A 3 3 LYS N N 3 126.140 119.535 6.605 1
1 26 . 6 1 1 A 4 4 VAL H H 4 8.350 7.211 1.139 1
1 30 . 6 1 1 A 4 4 VAL C C 4 175.600 174.506 1.094 1
1 31 . 6 1 1 A 4 4 VAL CA C 4 62.200 58.749 3.451 1
1 32 . 6 1 1 A 4 4 VAL CB C 4 33.060 35.305 -2.245 1
1 34 . 6 1 1 A 4 4 VAL N N 4 123.850 112.617 11.233 1
1 35 . 6 1 1 A 5 5 THR H H 5 8.100 8.570 -0.470 1
1 36 . 6 1 1 A 5 5 THR HA H 5 4.060 4.478 -0.418 1
1 41 . 6 1 1 A 5 5 THR C C 5 173.400 173.714 -0.314 1
1 42 . 6 1 1 A 5 5 THR CA C 5 61.220 61.532 -0.312 1
1 43 . 6 1 1 A 5 5 THR CB C 5 70.100 70.153 -0.053 1
1 45 . 6 1 1 A 5 5 THR N N 5 118.630 118.090 0.540 1
1 46 . 6 1 1 A 6 6 TYR H H 6 8.300 8.822 -0.522 1
1 51 . 6 1 1 A 6 6 TYR C C 6 175.400 174.198 1.202 1
1 52 . 6 1 1 A 6 6 TYR CA C 6 57.480 59.561 -2.081 1
1 53 . 6 1 1 A 6 6 TYR CB C 6 39.400 38.803 0.597 1
1 56 . 6 1 1 A 6 6 TYR N N 6 123.230 125.508 -2.278 1
1 57 . 6 1 1 A 7 7 ASP H H 7 8.560 8.505 0.055 1
1 58 . 6 1 1 A 7 7 ASP HA H 7 4.670 5.155 -0.485 1
1 60 . 6 1 1 A 7 7 ASP C C 7 175.100 174.327 0.773 1
1 61 . 6 1 1 A 7 7 ASP CA C 7 54.400 53.338 1.062 1
1 62 . 6 1 1 A 7 7 ASP CB C 7 41.250 42.059 -0.809 1
1 63 . 6 1 1 A 7 7 ASP N N 7 122.230 125.977 -3.747 1
1 64 . 6 1 1 A 8 8 GLY H H 8 7.610 8.015 -0.405 1
1 65 . 6 1 1 A 8 8 GLY HA2 H 8 3.930 3.956 -0.026 1
1 66 . 6 1 1 A 8 8 GLY HA3 H 8 4.140 4.031 0.109 1
1 67 . 6 1 1 A 8 8 GLY C C 8 171.900 171.625 0.275 1
1 68 . 6 1 1 A 8 8 GLY CA C 8 44.940 44.951 -0.011 1
1 69 . 6 1 1 A 8 8 GLY N N 8 106.550 109.910 -3.360 1
1 70 . 6 1 1 A 9 9 VAL H H 9 8.050 7.717 0.333 1
1 71 . 6 1 1 A 9 9 VAL HA H 9 4.520 4.866 -0.346 1
1 79 . 6 1 1 A 9 9 VAL C C 9 173.700 174.976 -1.276 1
1 80 . 6 1 1 A 9 9 VAL CA C 9 59.940 60.520 -0.580 1
1 81 . 6 1 1 A 9 9 VAL CB C 9 33.470 33.612 -0.142 1
1 84 . 6 1 1 A 9 9 VAL N N 9 115.200 119.557 -4.357 1
1 85 . 6 1 1 A 10 10 TYR H H 10 8.720 9.081 -0.361 1
1 89 . 6 1 1 A 10 10 TYR C C 10 175.700 175.591 0.109 1
1 90 . 6 1 1 A 10 10 TYR CA C 10 57.730 57.588 0.142 1
1 91 . 6 1 1 A 10 10 TYR CB C 10 41.210 39.879 1.331 1
1 94 . 6 1 1 A 10 10 TYR N N 10 122.700 127.248 -4.548 1
1 95 . 6 1 1 A 11 11 VAL H H 11 8.810 8.742 0.068 1
1 96 . 6 1 1 A 11 11 VAL HA H 11 3.880 4.383 -0.503 1
1 104 . 6 1 1 A 11 11 VAL C C 11 175.700 175.662 0.038 1
1 105 . 6 1 1 A 11 11 VAL CA C 11 62.810 61.427 1.383 1
1 106 . 6 1 1 A 11 11 VAL CB C 11 31.920 33.717 -1.797 1
1 109 . 6 1 1 A 11 11 VAL N N 11 121.170 123.425 -2.255 1
1 110 . 6 1 1 A 12 12 LEU H H 12 9.390 8.894 0.496 1
1 111 . 6 1 1 A 12 12 LEU HA H 12 4.350 4.360 -0.010 1
1 120 . 6 1 1 A 12 12 LEU CA C 12 56.560 56.321 0.239 1
1 121 . 6 1 1 A 12 12 LEU CB C 12 43.120 42.906 0.214 1
1 125 . 6 1 1 A 12 12 LEU N N 12 133.040 129.896 3.144 1
1 126 . 6 1 1 A 13 13 SER H H 13 7.490 7.721 -0.231 1
1 127 . 6 1 1 A 13 13 SER HA H 13 3.700 4.731 -1.031 1
1 129 . 6 1 1 A 13 13 SER C C 13 171.100 171.983 -0.883 1
1 130 . 6 1 1 A 13 13 SER CA C 13 56.890 57.665 -0.775 1
1 131 . 6 1 1 A 13 13 SER CB C 13 65.220 65.274 -0.054 1
1 132 . 6 1 1 A 13 13 SER N N 13 109.070 110.084 -1.014 1
1 133 . 6 1 1 A 14 14 VAL H H 14 8.380 8.500 -0.120 1
1 134 . 6 1 1 A 14 14 VAL HA H 14 4.360 4.691 -0.331 1
1 142 . 6 1 1 A 14 14 VAL C C 14 175.500 176.002 -0.502 1
1 143 . 6 1 1 A 14 14 VAL CA C 14 61.270 60.404 0.866 1
1 144 . 6 1 1 A 14 14 VAL CB C 14 34.620 35.040 -0.420 1
1 147 . 6 1 1 A 14 14 VAL N N 14 121.190 121.432 -0.242 1
1 148 . 6 1 1 A 15 15 LYS H H 15 7.920 8.284 -0.364 1
1 149 . 6 1 1 A 15 15 LYS HA H 15 4.180 3.987 0.193 1
1 154 . 6 1 1 A 15 15 LYS C C 15 175.600 176.860 -1.260 1
1 155 . 6 1 1 A 15 15 LYS CA C 15 57.150 57.860 -0.710 1
1 156 . 6 1 1 A 15 15 LYS CB C 15 33.730 32.643 1.087 1
1 160 . 6 1 1 A 15 15 LYS N N 15 126.860 125.222 1.638 1
1 161 . 6 1 1 A 16 16 GLU H H 16 8.200 7.987 0.213 1
1 162 . 6 1 1 A 16 16 GLU HA H 16 4.240 4.572 -0.332 1
1 165 . 6 1 1 A 16 16 GLU C C 16 177.000 176.274 0.726 1
1 166 . 6 1 1 A 16 16 GLU CA C 16 56.720 57.865 -1.145 1
1 167 . 6 1 1 A 16 16 GLU CB C 16 30.090 31.106 -1.016 1
1 169 . 6 1 1 A 16 16 GLU N N 16 117.010 119.707 -2.697 1
1 170 . 6 1 1 A 17 17 ASP H H 17 8.910 8.129 0.781 1
1 171 . 6 1 1 A 17 17 ASP HA H 17 4.420 4.661 -0.241 1
1 173 . 6 1 1 A 17 17 ASP C C 17 174.500 175.445 -0.945 1
1 174 . 6 1 1 A 17 17 ASP CA C 17 54.540 53.940 0.600 1
1 175 . 6 1 1 A 17 17 ASP CB C 17 38.700 39.990 -1.290 1
1 176 . 6 1 1 A 17 17 ASP N N 17 116.410 117.077 -0.667 1
1 177 . 6 1 1 A 18 18 VAL H H 18 6.670 7.496 -0.826 1
1 178 . 6 1 1 A 18 18 VAL HA H 18 4.840 4.795 0.045 1
1 183 . 6 1 1 A 18 18 VAL CA C 18 58.350 58.089 0.261 1
1 184 . 6 1 1 A 18 18 VAL CB C 18 32.330 33.794 -1.464 1
1 186 . 6 1 1 A 18 18 VAL N N 18 108.460 115.526 -7.066 1
1 187 . 6 1 1 A 19 19 PRO HA H 19 4.260 4.341 -0.081 1
1 193 . 6 1 1 A 19 19 PRO C C 19 177.600 177.028 0.572 1
1 194 . 6 1 1 A 19 19 PRO CA C 19 65.900 64.473 1.427 1
1 195 . 6 1 1 A 19 19 PRO CB C 19 33.200 31.884 1.316 1
1 198 . 6 1 1 A 20 20 ALA H H 20 8.270 7.921 0.349 1
1 199 . 6 1 1 A 20 20 ALA HA H 20 3.930 4.211 -0.281 1
1 203 . 6 1 1 A 20 20 ALA C C 20 177.100 177.688 -0.588 1
1 204 . 6 1 1 A 20 20 ALA CA C 20 53.150 54.116 -0.966 1
1 205 . 6 1 1 A 20 20 ALA CB C 20 19.850 19.314 0.536 1
1 206 . 6 1 1 A 20 20 ALA N N 20 112.780 118.336 -5.556 1
1 207 . 6 1 1 A 21 21 ALA H H 21 7.880 7.705 0.175 1
1 208 . 6 1 1 A 21 21 ALA HA H 21 4.040 4.067 -0.027 1
1 212 . 6 1 1 A 21 21 ALA C C 21 178.500 178.478 0.022 1
1 213 . 6 1 1 A 21 21 ALA CA C 21 54.210 53.690 0.520 1
1 214 . 6 1 1 A 21 21 ALA CB C 21 18.010 18.391 -0.381 1
1 215 . 6 1 1 A 21 21 ALA N N 21 122.260 121.054 1.206 1
1 216 . 6 1 1 A 22 22 GLY H H 22 8.970 8.777 0.193 1
1 217 . 6 1 1 A 22 22 GLY HA2 H 22 4.120 3.988 0.132 1
1 218 . 6 1 1 A 22 22 GLY HA3 H 22 3.670 3.994 -0.324 1
1 219 . 6 1 1 A 22 22 GLY C C 22 173.300 174.151 -0.851 1
1 220 . 6 1 1 A 22 22 GLY CA C 22 45.210 45.217 -0.007 1
1 221 . 6 1 1 A 22 22 GLY N N 22 110.560 111.343 -0.783 1
1 222 . 6 1 1 A 23 23 ILE H H 23 7.700 7.691 0.009 1
1 223 . 6 1 1 A 23 23 ILE HA H 23 3.950 4.293 -0.343 1
1 233 . 6 1 1 A 23 23 ILE C C 23 175.300 175.556 -0.256 1
1 234 . 6 1 1 A 23 23 ILE CA C 23 62.530 62.666 -0.136 1
1 235 . 6 1 1 A 23 23 ILE CB C 23 40.040 40.559 -0.519 1
1 239 . 6 1 1 A 23 23 ILE N N 23 120.200 117.932 2.268 1
1 240 . 6 1 1 A 24 24 LEU H H 24 7.480 7.705 -0.225 1
1 241 . 6 1 1 A 24 24 LEU HA H 24 4.250 4.575 -0.325 1
1 248 . 6 1 1 A 24 24 LEU C C 24 174.000 175.778 -1.778 1
1 249 . 6 1 1 A 24 24 LEU CA C 24 52.990 53.525 -0.535 1
1 250 . 6 1 1 A 24 24 LEU CB C 24 44.740 43.947 0.793 1
1 253 . 6 1 1 A 24 24 LEU N N 24 116.660 118.792 -2.132 1
1 254 . 6 1 1 A 25 25 HIS H H 25 8.280 8.484 -0.204 1
1 255 . 6 1 1 A 25 25 HIS HA H 25 4.570 5.279 -0.709 1
1 259 . 6 1 1 A 25 25 HIS C C 25 173.400 172.789 0.611 1
1 260 . 6 1 1 A 25 25 HIS CA C 25 54.370 53.463 0.907 1
1 261 . 6 1 1 A 25 25 HIS CB C 25 32.150 32.643 -0.493 1
1 263 . 6 1 1 A 25 25 HIS N N 25 115.300 117.785 -2.485 1
1 264 . 6 1 1 A 26 26 ALA H H 26 8.900 8.576 0.324 1
1 265 . 6 1 1 A 26 26 ALA HA H 26 3.730 3.771 -0.041 1
1 269 . 6 1 1 A 26 26 ALA C C 26 178.500 178.097 0.403 1
1 270 . 6 1 1 A 26 26 ALA CA C 26 53.740 53.792 -0.052 1
1 271 . 6 1 1 A 26 26 ALA CB C 26 18.400 18.433 -0.033 1
1 272 . 6 1 1 A 26 26 ALA N N 26 124.340 123.736 0.604 1
1 273 . 6 1 1 A 27 27 GLY H H 27 9.430 8.435 0.995 1
1 274 . 6 1 1 A 27 27 GLY HA2 H 27 4.500 3.943 0.557 1
1 275 . 6 1 1 A 27 27 GLY HA3 H 27 3.620 3.962 -0.342 1
1 276 . 6 1 1 A 27 27 GLY C C 27 174.500 173.916 0.584 1
1 277 . 6 1 1 A 27 27 GLY CA C 27 44.900 44.906 -0.006 1
1 278 . 6 1 1 A 27 27 GLY N N 27 113.020 110.338 2.682 1
1 279 . 6 1 1 A 28 28 ASP H H 28 8.150 7.558 0.592 1
1 280 . 6 1 1 A 28 28 ASP HA H 28 5.000 4.417 0.583 1
1 282 . 6 1 1 A 28 28 ASP C C 28 173.800 175.502 -1.702 1
1 283 . 6 1 1 A 28 28 ASP CA C 28 55.510 53.688 1.822 1
1 284 . 6 1 1 A 28 28 ASP CB C 28 41.190 40.905 0.285 1
1 285 . 6 1 1 A 28 28 ASP N N 28 121.760 121.676 0.084 1
1 286 . 6 1 1 A 29 29 LEU H H 29 8.000 8.818 -0.818 1
1 287 . 6 1 1 A 29 29 LEU HA H 29 4.640 4.945 -0.305 1
1 294 . 6 1 1 A 29 29 LEU C C 29 176.300 175.683 0.617 1
1 295 . 6 1 1 A 29 29 LEU CA C 29 53.120 53.193 -0.073 1
1 296 . 6 1 1 A 29 29 LEU CB C 29 45.320 42.298 3.022 1
1 299 . 6 1 1 A 29 29 LEU N N 29 122.000 125.970 -3.970 1
1 300 . 6 1 1 A 30 30 ILE H H 30 9.210 8.344 0.866 1
1 301 . 6 1 1 A 30 30 ILE HA H 30 4.360 4.347 0.013 1
1 310 . 6 1 1 A 30 30 ILE C C 30 175.800 176.901 -1.101 1
1 311 . 6 1 1 A 30 30 ILE CA C 30 61.200 61.288 -0.088 1
1 312 . 6 1 1 A 30 30 ILE CB C 30 38.080 38.372 -0.292 1
1 316 . 6 1 1 A 30 30 ILE N N 30 126.210 125.215 0.995 1
1 317 . 6 1 1 A 31 31 THR H H 31 8.790 9.110 -0.320 1
1 318 . 6 1 1 A 31 31 THR HA H 31 4.230 4.539 -0.309 1
1 323 . 6 1 1 A 31 31 THR C C 31 175.900 174.821 1.079 1
1 324 . 6 1 1 A 31 31 THR CA C 31 62.260 62.243 0.017 1
1 325 . 6 1 1 A 31 31 THR CB C 31 69.320 69.458 -0.138 1
1 327 . 6 1 1 A 31 31 THR N N 31 117.100 118.531 -1.431 1
1 328 . 6 1 1 A 32 32 GLU H H 32 7.790 7.541 0.249 1
1 329 . 6 1 1 A 32 32 GLU HA H 32 5.080 4.840 0.240 1
1 333 . 6 1 1 A 32 32 GLU C C 32 174.700 174.185 0.515 1
1 334 . 6 1 1 A 32 32 GLU CA C 32 55.870 55.939 -0.069 1
1 335 . 6 1 1 A 32 32 GLU CB C 32 35.300 33.074 2.226 1
1 337 . 6 1 1 A 32 32 GLU N N 32 120.420 119.960 0.460 1
1 338 . 6 1 1 A 33 33 ILE H H 33 8.770 8.558 0.212 1
1 339 . 6 1 1 A 33 33 ILE HA H 33 5.220 4.618 0.602 1
1 348 . 6 1 1 A 33 33 ILE C C 33 174.200 174.669 -0.469 1
1 349 . 6 1 1 A 33 33 ILE CA C 33 59.380 60.104 -0.724 1
1 350 . 6 1 1 A 33 33 ILE CB C 33 41.120 40.934 0.186 1
1 354 . 6 1 1 A 33 33 ILE N N 33 119.470 123.726 -4.256 1
1 355 . 6 1 1 A 34 34 ASP H H 34 10.100 10.125 -0.025 1
1 356 . 6 1 1 A 34 34 ASP HA H 34 4.430 4.242 0.188 1
1 359 . 6 1 1 A 34 34 ASP C C 34 176.200 175.392 0.808 1
1 360 . 6 1 1 A 34 34 ASP CA C 34 55.530 54.987 0.543 1
1 361 . 6 1 1 A 34 34 ASP CB C 34 39.000 39.665 -0.665 1
1 362 . 6 1 1 A 34 34 ASP N N 34 128.840 128.889 -0.049 1
1 363 . 6 1 1 A 35 35 GLY H H 35 8.860 8.612 0.248 1
1 364 . 6 1 1 A 35 35 GLY HA2 H 35 3.630 3.856 -0.226 1
1 365 . 6 1 1 A 35 35 GLY HA3 H 35 3.970 3.859 0.111 1
1 366 . 6 1 1 A 35 35 GLY C C 35 173.900 173.456 0.444 1
1 367 . 6 1 1 A 35 35 GLY CA C 35 45.580 45.628 -0.048 1
1 368 . 6 1 1 A 35 35 GLY N N 35 103.110 104.392 -1.282 1
1 369 . 6 1 1 A 36 36 GLN H H 36 8.070 7.863 0.207 1
1 370 . 6 1 1 A 36 36 GLN HA H 36 4.240 4.986 -0.746 1
1 374 . 6 1 1 A 36 36 GLN C C 36 174.200 174.487 -0.287 1
1 375 . 6 1 1 A 36 36 GLN CA C 36 54.250 54.197 0.053 1
1 376 . 6 1 1 A 36 36 GLN CB C 36 30.870 32.166 -1.296 1
1 378 . 6 1 1 A 36 36 GLN N N 36 119.670 115.896 3.774 1
1 379 . 6 1 1 A 37 37 SER H H 37 8.290 8.298 -0.008 1
1 380 . 6 1 1 A 37 37 SER HA H 37 3.750 3.892 -0.142 1
1 382 . 6 1 1 A 37 37 SER C C 37 173.500 173.651 -0.151 1
1 383 . 6 1 1 A 37 37 SER CA C 37 56.280 58.895 -2.615 1
1 384 . 6 1 1 A 37 37 SER CB C 37 63.630 61.955 1.675 1
1 385 . 6 1 1 A 37 37 SER N N 37 118.770 112.663 6.107 1
1 386 . 6 1 1 A 38 38 PHE H H 38 6.960 7.834 -0.874 1
1 387 . 6 1 1 A 38 38 PHE HA H 38 3.090 4.918 -1.828 1
1 391 . 6 1 1 A 38 38 PHE C C 38 175.600 176.788 -1.188 1
1 392 . 6 1 1 A 38 38 PHE CA C 38 56.590 57.639 -1.049 1
1 393 . 6 1 1 A 38 38 PHE CB C 38 40.910 39.974 0.936 1
1 396 . 6 1 1 A 38 38 PHE N N 38 120.740 125.127 -4.387 1
1 397 . 6 1 1 A 39 39 LYS H H 39 8.740 9.129 -0.389 1
1 398 . 6 1 1 A 39 39 LYS HA H 39 4.160 3.982 0.178 1
1 402 . 6 1 1 A 39 39 LYS C C 39 175.500 177.577 -2.077 1
1 403 . 6 1 1 A 39 39 LYS CA C 39 56.500 59.902 -3.402 1
1 404 . 6 1 1 A 39 39 LYS CB C 39 33.210 32.414 0.796 1
1 408 . 6 1 1 A 39 39 LYS N N 39 118.100 123.013 -4.913 1
1 409 . 6 1 1 A 40 40 SER H H 40 7.480 7.849 -0.369 1
1 410 . 6 1 1 A 40 40 SER HA H 40 3.830 4.395 -0.565 1
1 412 . 6 1 1 A 40 40 SER C C 40 174.800 176.064 -1.264 1
1 413 . 6 1 1 A 40 40 SER CA C 40 56.380 59.017 -2.637 1
1 414 . 6 1 1 A 40 40 SER CB C 40 66.790 63.727 3.063 1
1 415 . 6 1 1 A 40 40 SER N N 40 111.180 114.830 -3.650 1
1 416 . 6 1 1 A 41 41 SER H H 41 10.310 9.144 1.166 1
1 417 . 6 1 1 A 41 41 SER HA H 41 3.780 4.146 -0.366 1
1 419 . 6 1 1 A 41 41 SER C C 41 176.300 176.682 -0.382 1
1 420 . 6 1 1 A 41 41 SER CA C 41 62.530 61.895 0.635 1
1 421 . 6 1 1 A 41 41 SER CB C 41 66.770 62.710 4.060 1
1 422 . 6 1 1 A 41 41 SER N N 41 121.470 124.166 -2.696 1
1 423 . 6 1 1 A 42 42 GLN H H 42 8.510 8.274 0.236 1
1 424 . 6 1 1 A 42 42 GLN HA H 42 3.830 3.977 -0.147 1
1 426 . 6 1 1 A 42 42 GLN C C 42 177.300 178.798 -1.498 1
1 427 . 6 1 1 A 42 42 GLN CA C 42 58.480 59.207 -0.727 1
1 428 . 6 1 1 A 42 42 GLN CB C 42 28.450 28.200 0.250 1
1 430 . 6 1 1 A 42 42 GLN N N 42 121.500 121.499 0.001 1
1 431 . 6 1 1 A 43 43 GLU H H 43 7.470 7.905 -0.435 1
1 432 . 6 1 1 A 43 43 GLU HA H 43 3.840 4.058 -0.218 1
1 434 . 6 1 1 A 43 43 GLU C C 43 179.200 179.034 0.166 1
1 435 . 6 1 1 A 43 43 GLU CA C 43 59.110 59.238 -0.128 1
1 436 . 6 1 1 A 43 43 GLU CB C 43 29.990 29.172 0.818 1
1 438 . 6 1 1 A 43 43 GLU N N 43 116.740 119.339 -2.599 1
1 439 . 6 1 1 A 44 44 PHE H H 44 7.320 8.491 -1.171 1
1 440 . 6 1 1 A 44 44 PHE HA H 44 3.630 4.144 -0.514 1
1 444 . 6 1 1 A 44 44 PHE C C 44 176.800 176.976 -0.176 1
1 445 . 6 1 1 A 44 44 PHE CA C 44 62.270 61.301 0.969 1
1 446 . 6 1 1 A 44 44 PHE CB C 44 39.920 39.008 0.912 1
1 449 . 6 1 1 A 44 44 PHE N N 44 118.660 120.596 -1.936 1
1 450 . 6 1 1 A 45 45 ILE H H 45 8.120 8.658 -0.538 1
1 451 . 6 1 1 A 45 45 ILE HA H 45 3.390 3.550 -0.160 1
1 461 . 6 1 1 A 45 45 ILE C C 45 177.600 177.497 0.103 1
1 462 . 6 1 1 A 45 45 ILE CA C 45 64.000 65.679 -1.679 1
1 463 . 6 1 1 A 45 45 ILE CB C 45 37.440 37.660 -0.220 1
1 467 . 6 1 1 A 45 45 ILE N N 45 119.470 120.505 -1.035 1
1 468 . 6 1 1 A 46 46 ASP H H 46 8.590 8.238 0.352 1
1 469 . 6 1 1 A 46 46 ASP HA H 46 4.180 4.213 -0.033 1
1 471 . 6 1 1 A 46 46 ASP C C 46 178.900 177.749 1.151 1
1 472 . 6 1 1 A 46 46 ASP CA C 46 57.000 57.120 -0.120 1
1 473 . 6 1 1 A 46 46 ASP CB C 46 39.350 40.888 -1.538 1
1 474 . 6 1 1 A 46 46 ASP N N 46 119.870 121.249 -1.379 1
1 475 . 6 1 1 A 47 47 TYR H H 47 7.530 7.727 -0.197 1
1 476 . 6 1 1 A 47 47 TYR HA H 47 4.090 4.278 -0.188 1
1 480 . 6 1 1 A 47 47 TYR C C 47 179.500 176.964 2.536 1
1 481 . 6 1 1 A 47 47 TYR CA C 47 61.960 61.349 0.611 1
1 482 . 6 1 1 A 47 47 TYR CB C 47 38.350 38.376 -0.026 1
1 485 . 6 1 1 A 47 47 TYR N N 47 120.170 120.650 -0.480 1
1 486 . 6 1 1 A 48 48 ILE H H 48 8.020 7.912 0.108 1
1 487 . 6 1 1 A 48 48 ILE HA H 48 3.200 3.584 -0.384 1
1 497 . 6 1 1 A 48 48 ILE C C 48 177.000 177.789 -0.789 1
1 498 . 6 1 1 A 48 48 ILE CA C 48 65.450 65.100 0.350 1
1 499 . 6 1 1 A 48 48 ILE CB C 48 36.770 37.602 -0.832 1
1 503 . 6 1 1 A 48 48 ILE N N 48 122.120 120.541 1.579 1
1 504 . 6 1 1 A 49 49 HIS H H 49 8.250 7.106 1.144 1
1 505 . 6 1 1 A 49 49 HIS HA H 49 4.490 4.382 0.108 1
1 507 . 6 1 1 A 49 49 HIS C C 49 174.300 177.630 -3.330 1
1 508 . 6 1 1 A 49 49 HIS CA C 49 55.550 58.749 -3.199 1
1 509 . 6 1 1 A 49 49 HIS CB C 49 28.650 29.847 -1.197 1
1 510 . 6 1 1 A 49 49 HIS N N 49 112.280 118.944 -6.664 1
1 511 . 6 1 1 A 50 50 SER H H 50 7.700 7.677 0.023 1
1 512 . 6 1 1 A 50 50 SER HA H 50 3.970 4.123 -0.153 1
1 514 . 6 1 1 A 50 50 SER C C 50 174.300 174.988 -0.688 1
1 515 . 6 1 1 A 50 50 SER CA C 50 59.300 60.682 -1.382 1
1 516 . 6 1 1 A 50 50 SER CB C 50 63.840 62.457 1.383 1
1 517 . 6 1 1 A 50 50 SER N N 50 115.110 114.214 0.896 1
1 518 . 6 1 1 A 51 51 LYS H H 51 7.060 7.147 -0.087 1
1 519 . 6 1 1 A 51 51 LYS HA H 51 4.320 4.492 -0.172 1
1 527 . 6 1 1 A 51 51 LYS C C 51 173.100 175.409 -2.309 1
1 528 . 6 1 1 A 51 51 LYS CA C 51 53.730 54.564 -0.834 1
1 529 . 6 1 1 A 51 51 LYS CB C 51 31.350 33.850 -2.500 1
1 533 . 6 1 1 A 51 51 LYS N N 51 123.340 121.189 2.151 1
1 534 . 6 1 1 A 52 52 LYS H H 52 8.250 8.336 -0.086 1
1 535 . 6 1 1 A 52 52 LYS HA H 52 4.610 4.905 -0.295 1
1 540 . 6 1 1 A 52 52 LYS C C 52 177.000 176.288 0.712 1
1 541 . 6 1 1 A 52 52 LYS CA C 52 54.060 54.184 -0.124 1
1 542 . 6 1 1 A 52 52 LYS CB C 52 34.900 36.352 -1.452 1
1 546 . 6 1 1 A 52 52 LYS N N 52 115.990 119.298 -3.308 1
1 547 . 6 1 1 A 53 53 VAL H H 53 8.520 8.544 -0.024 1
1 548 . 6 1 1 A 53 53 VAL HA H 53 3.050 3.663 -0.613 1
1 556 . 6 1 1 A 53 53 VAL C C 53 177.200 177.148 0.052 1
1 557 . 6 1 1 A 53 53 VAL CA C 53 66.270 65.236 1.034 1
1 558 . 6 1 1 A 53 53 VAL CB C 53 31.290 31.448 -0.158 1
1 561 . 6 1 1 A 53 53 VAL N N 53 120.780 121.883 -1.103 1
1 562 . 6 1 1 A 54 54 GLY H H 54 8.310 8.628 -0.318 1
1 563 . 6 1 1 A 54 54 GLY HA2 H 54 3.520 4.004 -0.484 1
1 564 . 6 1 1 A 54 54 GLY HA3 H 54 4.520 4.007 0.513 1
1 565 . 6 1 1 A 54 54 GLY C C 54 174.500 173.801 0.699 1
1 566 . 6 1 1 A 54 54 GLY CA C 54 45.010 44.975 0.035 1
1 567 . 6 1 1 A 54 54 GLY N N 54 116.140 115.378 0.762 1
1 568 . 6 1 1 A 55 55 ASP H H 55 8.110 7.718 0.392 1
1 569 . 6 1 1 A 55 55 ASP HA H 55 4.710 4.696 0.014 1
1 572 . 6 1 1 A 55 55 ASP C C 55 175.000 175.024 -0.024 1
1 573 . 6 1 1 A 55 55 ASP CA C 55 54.950 55.105 -0.155 1
1 574 . 6 1 1 A 55 55 ASP CB C 55 41.300 41.606 -0.306 1
1 575 . 6 1 1 A 55 55 ASP N N 55 121.670 121.721 -0.051 1
1 576 . 6 1 1 A 56 56 THR H H 56 8.670 8.440 0.230 1
1 577 . 6 1 1 A 56 56 THR HA H 56 3.920 4.956 -1.036 1
1 582 . 6 1 1 A 56 56 THR C C 56 175.200 174.033 1.167 1
1 583 . 6 1 1 A 56 56 THR CA C 56 62.350 62.251 0.099 1
1 584 . 6 1 1 A 56 56 THR CB C 56 70.380 70.691 -0.311 1
1 586 . 6 1 1 A 56 56 THR N N 56 115.670 117.370 -1.700 1
1 587 . 6 1 1 A 57 57 VAL H H 57 8.990 8.711 0.279 1
1 588 . 6 1 1 A 57 57 VAL HA H 57 5.190 5.212 -0.022 1
1 596 . 6 1 1 A 57 57 VAL C C 57 173.900 174.643 -0.743 1
1 597 . 6 1 1 A 57 57 VAL CA C 57 58.570 58.903 -0.333 1
1 598 . 6 1 1 A 57 57 VAL CB C 57 34.480 36.177 -1.697 1
1 601 . 6 1 1 A 57 57 VAL N N 57 119.230 119.673 -0.443 1
1 602 . 6 1 1 A 58 58 LYS H H 58 9.000 8.739 0.261 1
1 603 . 6 1 1 A 58 58 LYS HA H 58 5.170 5.052 0.118 1
1 608 . 6 1 1 A 58 58 LYS C C 58 176.400 174.526 1.874 1
1 609 . 6 1 1 A 58 58 LYS CA C 58 54.990 55.095 -0.105 1
1 610 . 6 1 1 A 58 58 LYS CB C 58 33.510 34.651 -1.141 1
1 614 . 6 1 1 A 58 58 LYS N N 58 123.700 121.393 2.307 1
1 615 . 6 1 1 A 59 59 ILE H H 59 9.460 8.904 0.556 1
1 616 . 6 1 1 A 59 59 ILE HA H 59 5.100 4.837 0.263 1
1 626 . 6 1 1 A 59 59 ILE C C 59 175.100 174.578 0.522 1
1 627 . 6 1 1 A 59 59 ILE CA C 59 59.940 60.270 -0.330 1
1 628 . 6 1 1 A 59 59 ILE CB C 59 41.740 40.707 1.033 1
1 632 . 6 1 1 A 59 59 ILE N N 59 125.190 126.610 -1.420 1
1 633 . 6 1 1 A 60 60 LYS H H 60 8.780 9.211 -0.431 1
1 634 . 6 1 1 A 60 60 LYS HA H 60 5.210 5.168 0.042 1
1 639 . 6 1 1 A 60 60 LYS C C 60 175.000 174.864 0.136 1
1 640 . 6 1 1 A 60 60 LYS CA C 60 55.910 54.670 1.240 1
1 641 . 6 1 1 A 60 60 LYS CB C 60 34.340 35.210 -0.870 1
1 645 . 6 1 1 A 60 60 LYS N N 60 126.140 128.855 -2.715 1
1 646 . 6 1 1 A 61 61 TYR H H 61 8.660 8.164 0.496 1
1 647 . 6 1 1 A 61 61 TYR HA H 61 5.680 5.272 0.408 1
1 651 . 6 1 1 A 61 61 TYR CA C 61 55.090 55.950 -0.860 1
1 652 . 6 1 1 A 61 61 TYR CB C 61 41.640 42.094 -0.454 1
1 655 . 6 1 1 A 61 61 TYR N N 61 120.100 122.489 -2.389 1
1 656 . 6 1 1 A 62 62 LYS H H 62 9.590 8.443 1.147 1
1 657 . 6 1 1 A 62 62 LYS C C 62 172.100 174.420 -2.320 1
1 658 . 6 1 1 A 62 62 LYS CA C 62 54.820 55.154 -0.334 1
1 659 . 6 1 1 A 62 62 LYS CB C 62 35.540 34.926 0.614 1
1 660 . 6 1 1 A 62 62 LYS N N 62 120.730 119.869 0.861 1
1 661 . 6 1 1 A 63 63 HIS H H 63 8.570 8.581 -0.011 1
1 662 . 6 1 1 A 63 63 HIS HA H 63 5.240 5.050 0.190 1
1 665 . 6 1 1 A 63 63 HIS C C 63 175.200 175.150 0.050 1
1 666 . 6 1 1 A 63 63 HIS CA C 63 54.100 55.291 -1.191 1
1 667 . 6 1 1 A 63 63 HIS CB C 63 30.300 32.380 -2.080 1
1 668 . 6 1 1 A 63 63 HIS N N 63 123.800 124.917 -1.117 1
1 669 . 6 1 1 A 64 64 GLY H H 64 9.080 8.854 0.226 1
1 670 . 6 1 1 A 64 64 GLY HA2 H 64 3.730 3.517 0.213 1
1 671 . 6 1 1 A 64 64 GLY C C 64 174.200 174.549 -0.349 1
1 672 . 6 1 1 A 64 64 GLY CA C 64 47.090 47.203 -0.113 1
1 673 . 6 1 1 A 64 64 GLY N N 64 119.110 116.057 3.053 1
1 674 . 6 1 1 A 65 65 ASN H H 65 8.770 8.589 0.181 1
1 675 . 6 1 1 A 65 65 ASN HA H 65 4.650 4.811 -0.161 1
1 677 . 6 1 1 A 65 65 ASN C C 65 174.600 173.833 0.767 1
1 678 . 6 1 1 A 65 65 ASN CA C 65 53.080 52.795 0.285 1
1 679 . 6 1 1 A 65 65 ASN CB C 65 38.700 39.325 -0.625 1
1 680 . 6 1 1 A 65 65 ASN N N 65 122.390 124.618 -2.228 1
1 681 . 6 1 1 A 66 66 LYS H H 66 7.830 6.979 0.851 1
1 682 . 6 1 1 A 66 66 LYS HA H 66 4.470 4.904 -0.434 1
1 686 . 6 1 1 A 66 66 LYS C C 66 174.900 174.796 0.104 1
1 687 . 6 1 1 A 66 66 LYS CA C 66 55.490 54.931 0.559 1
1 688 . 6 1 1 A 66 66 LYS CB C 66 34.670 35.126 -0.456 1
1 692 . 6 1 1 A 66 66 LYS N N 66 120.640 120.619 0.021 1
1 693 . 6 1 1 A 67 67 ASN H H 67 8.570 8.835 -0.265 1
1 694 . 6 1 1 A 67 67 ASN HA H 67 4.860 5.105 -0.245 1
1 696 . 6 1 1 A 67 67 ASN C C 67 174.700 174.515 0.185 1
1 697 . 6 1 1 A 67 67 ASN CA C 67 53.680 53.021 0.659 1
1 698 . 6 1 1 A 67 67 ASN CB C 67 39.050 40.014 -0.964 1
1 699 . 6 1 1 A 67 67 ASN N N 67 123.400 126.595 -3.195 1
1 700 . 6 1 1 A 68 68 GLU H H 68 8.970 8.080 0.890 1
1 701 . 6 1 1 A 68 68 GLU HA H 68 4.630 4.908 -0.278 1
1 704 . 6 1 1 A 68 68 GLU C C 68 174.500 175.027 -0.527 1
1 705 . 6 1 1 A 68 68 GLU CA C 68 54.130 54.597 -0.467 1
1 706 . 6 1 1 A 68 68 GLU CB C 68 32.450 33.377 -0.927 1
1 708 . 6 1 1 A 68 68 GLU N N 68 123.040 124.170 -1.130 1
1 709 . 6 1 1 A 69 69 GLU H H 69 8.440 8.932 -0.492 1
1 710 . 6 1 1 A 69 69 GLU HA H 69 5.500 5.192 0.308 1
1 713 . 6 1 1 A 69 69 GLU C C 69 175.000 174.691 0.309 1
1 714 . 6 1 1 A 69 69 GLU CA C 69 55.010 54.526 0.484 1
1 715 . 6 1 1 A 69 69 GLU CB C 69 33.200 33.417 -0.217 1
1 717 . 6 1 1 A 69 69 GLU N N 69 118.940 118.011 0.929 1
1 718 . 6 1 1 A 70 70 ALA H H 70 9.140 8.410 0.730 1
1 719 . 6 1 1 A 70 70 ALA HA H 70 4.840 4.970 -0.130 1
1 723 . 6 1 1 A 70 70 ALA C C 70 175.500 175.799 -0.299 1
1 724 . 6 1 1 A 70 70 ALA CA C 70 51.720 51.312 0.408 1
1 725 . 6 1 1 A 70 70 ALA CB C 70 23.780 24.201 -0.421 1
1 726 . 6 1 1 A 70 70 ALA N N 70 124.420 122.430 1.990 1
1 727 . 6 1 1 A 71 71 SER H H 71 8.640 8.845 -0.205 1
1 728 . 6 1 1 A 71 71 SER HA H 71 5.480 5.722 -0.242 1
1 731 . 6 1 1 A 71 71 SER C C 71 173.900 173.859 0.041 1
1 732 . 6 1 1 A 71 71 SER CA C 71 57.470 56.415 1.055 1
1 733 . 6 1 1 A 71 71 SER CB C 71 63.760 65.999 -2.239 1
1 734 . 6 1 1 A 71 71 SER N N 71 118.040 113.324 4.716 1
1 735 . 6 1 1 A 72 72 ILE H H 72 9.100 8.552 0.548 1
1 736 . 6 1 1 A 72 72 ILE HA H 72 4.340 5.053 -0.713 1
1 746 . 6 1 1 A 72 72 ILE C C 72 173.500 174.212 -0.712 1
1 747 . 6 1 1 A 72 72 ILE CA C 72 60.140 58.814 1.326 1
1 748 . 6 1 1 A 72 72 ILE CB C 72 41.920 42.177 -0.257 1
1 752 . 6 1 1 A 72 72 ILE N N 72 124.670 119.721 4.949 1
1 753 . 6 1 1 A 73 73 LYS H H 73 8.530 8.594 -0.064 1
1 754 . 6 1 1 A 73 73 LYS HA H 73 4.810 4.691 0.119 1
1 759 . 6 1 1 A 73 73 LYS C C 73 176.000 176.939 -0.939 1
1 760 . 6 1 1 A 73 73 LYS CA C 73 55.630 55.661 -0.031 1
1 761 . 6 1 1 A 73 73 LYS CB C 73 33.440 33.737 -0.297 1
1 765 . 6 1 1 A 73 73 LYS N N 73 128.060 124.715 3.345 1
1 766 . 6 1 1 A 74 74 LEU H H 74 8.900 8.907 -0.007 1
1 767 . 6 1 1 A 74 74 LEU HA H 74 4.230 4.360 -0.130 1
1 774 . 6 1 1 A 74 74 LEU C C 74 178.400 176.432 1.968 1
1 775 . 6 1 1 A 74 74 LEU CA C 74 55.520 55.348 0.172 1
1 776 . 6 1 1 A 74 74 LEU CB C 74 42.240 42.415 -0.175 1
1 779 . 6 1 1 A 74 74 LEU N N 74 123.270 126.426 -3.156 1
1 780 . 6 1 1 A 75 75 THR H H 75 8.550 8.837 -0.287 1
1 781 . 6 1 1 A 75 75 THR HA H 75 4.680 5.104 -0.424 1
1 786 . 6 1 1 A 75 75 THR C C 75 172.600 173.236 -0.636 1
1 787 . 6 1 1 A 75 75 THR CA C 75 59.400 59.124 0.276 1
1 788 . 6 1 1 A 75 75 THR CB C 75 71.300 72.218 -0.918 1
1 790 . 6 1 1 A 75 75 THR N N 75 116.480 113.872 2.608 1
1 791 . 6 1 1 A 76 76 ALA H H 76 8.360 8.620 -0.260 1
1 792 . 6 1 1 A 76 76 ALA HA H 76 4.490 4.484 0.006 1
1 796 . 6 1 1 A 76 76 ALA C C 76 179.100 177.728 1.372 1
1 797 . 6 1 1 A 76 76 ALA CA C 76 51.730 52.147 -0.417 1
1 798 . 6 1 1 A 76 76 ALA CB C 76 18.930 19.368 -0.438 1
1 799 . 6 1 1 A 76 76 ALA N N 76 123.400 124.734 -1.334 1
1 800 . 6 1 1 A 77 77 ILE H H 77 8.850 8.749 0.101 1
1 801 . 6 1 1 A 77 77 ILE HA H 77 4.370 4.380 -0.010 1
1 811 . 6 1 1 A 77 77 ILE C C 77 174.900 175.613 -0.713 1
1 812 . 6 1 1 A 77 77 ILE CA C 77 59.850 61.900 -2.050 1
1 813 . 6 1 1 A 77 77 ILE CB C 77 39.200 39.315 -0.115 1
1 817 . 6 1 1 A 77 77 ILE N N 77 118.310 118.159 0.151 1
1 818 . 6 1 1 A 78 78 ASP H H 78 7.580 8.026 -0.446 1
1 819 . 6 1 1 A 78 78 ASP HA H 78 4.670 4.862 -0.192 1
1 822 . 6 1 1 A 78 78 ASP C C 78 177.300 177.402 -0.102 1
1 823 . 6 1 1 A 78 78 ASP CA C 78 52.500 52.885 -0.385 1
1 824 . 6 1 1 A 78 78 ASP CB C 78 42.100 41.845 0.255 1
1 825 . 6 1 1 A 78 78 ASP N N 78 118.160 121.287 -3.127 1
1 826 . 6 1 1 A 79 79 LYS H H 79 8.380 8.945 -0.565 1
1 827 . 6 1 1 A 79 79 LYS HA H 79 4.200 4.043 0.157 1
1 832 . 6 1 1 A 79 79 LYS C C 79 177.200 177.758 -0.558 1
1 833 . 6 1 1 A 79 79 LYS CA C 79 57.620 58.637 -1.017 1
1 834 . 6 1 1 A 79 79 LYS CB C 79 31.940 31.958 -0.018 1
1 838 . 6 1 1 A 79 79 LYS N N 79 117.260 121.558 -4.298 1
1 839 . 6 1 1 A 80 80 LYS H H 80 7.900 7.625 0.275 1
1 840 . 6 1 1 A 80 80 LYS HA H 80 4.350 4.296 0.054 1
1 845 . 6 1 1 A 80 80 LYS C C 80 176.800 176.924 -0.124 1
1 846 . 6 1 1 A 80 80 LYS CA C 80 56.070 55.810 0.260 1
1 847 . 6 1 1 A 80 80 LYS CB C 80 32.430 32.971 -0.541 1
1 851 . 6 1 1 A 80 80 LYS N N 80 118.240 117.917 0.323 1
1 852 . 6 1 1 A 81 81 GLY H H 81 7.850 8.150 -0.300 1
1 853 . 6 1 1 A 81 81 GLY HA2 H 81 4.170 3.906 0.264 1
1 854 . 6 1 1 A 81 81 GLY HA3 H 81 3.520 3.909 -0.389 1
1 855 . 6 1 1 A 81 81 GLY C C 81 173.700 174.697 -0.997 1
1 856 . 6 1 1 A 81 81 GLY CA C 81 45.340 46.288 -0.948 1
1 857 . 6 1 1 A 81 81 GLY N N 81 107.740 108.731 -0.991 1
1 858 . 6 1 1 A 82 82 THR H H 82 8.760 7.960 0.800 1
1 859 . 6 1 1 A 82 82 THR HA H 82 4.060 4.297 -0.237 1
1 864 . 6 1 1 A 82 82 THR CA C 82 61.340 60.057 1.283 1
1 865 . 6 1 1 A 82 82 THR CB C 82 68.440 69.105 -0.665 1
1 867 . 6 1 1 A 82 82 THR N N 82 122.360 116.672 5.688 1
1 868 . 6 1 1 A 83 83 PRO HA H 83 4.760 4.549 0.211 1
1 874 . 6 1 1 A 83 83 PRO C C 83 177.100 176.579 0.521 1
1 875 . 6 1 1 A 83 83 PRO CA C 83 61.750 63.752 -2.002 1
1 876 . 6 1 1 A 83 83 PRO CB C 83 33.000 32.197 0.803 1
1 879 . 6 1 1 A 84 84 GLY H H 84 8.870 8.644 0.226 1
1 880 . 6 1 1 A 84 84 GLY HA2 H 84 4.140 4.433 -0.293 1
1 881 . 6 1 1 A 84 84 GLY C C 84 171.400 175.057 -3.657 1
1 882 . 6 1 1 A 84 84 GLY CA C 84 46.360 44.967 1.393 1
1 883 . 6 1 1 A 84 84 GLY N N 84 104.120 107.807 -3.687 1
1 884 . 6 1 1 A 85 85 ILE H H 85 8.920 8.803 0.117 1
1 885 . 6 1 1 A 85 85 ILE HA H 85 4.570 3.930 0.640 1
1 895 . 6 1 1 A 85 85 ILE C C 85 175.100 176.239 -1.139 1
1 896 . 6 1 1 A 85 85 ILE CA C 85 61.110 62.517 -1.407 1
1 897 . 6 1 1 A 85 85 ILE CB C 85 40.020 38.641 1.379 1
1 901 . 6 1 1 A 85 85 ILE N N 85 112.690 123.843 -11.153 1
1 902 . 6 1 1 A 86 86 GLY H H 86 8.980 8.675 0.305 1
1 903 . 6 1 1 A 86 86 GLY HA2 H 86 3.770 3.989 -0.219 1
1 904 . 6 1 1 A 86 86 GLY HA3 H 86 4.160 3.995 0.165 1
1 905 . 6 1 1 A 86 86 GLY C C 86 173.300 173.647 -0.347 1
1 906 . 6 1 1 A 86 86 GLY CA C 86 45.960 46.299 -0.339 1
1 907 . 6 1 1 A 86 86 GLY N N 86 112.050 108.682 3.368 1
1 908 . 6 1 1 A 87 87 ILE H H 87 7.290 7.540 -0.250 1
1 909 . 6 1 1 A 87 87 ILE HA H 87 5.170 4.913 0.257 1
1 918 . 6 1 1 A 87 87 ILE C C 87 174.800 174.159 0.641 1
1 919 . 6 1 1 A 87 87 ILE CA C 87 58.850 58.944 -0.094 1
1 920 . 6 1 1 A 87 87 ILE CB C 87 41.480 42.461 -0.981 1
1 924 . 6 1 1 A 87 87 ILE N N 87 110.880 114.122 -3.242 1
1 925 . 6 1 1 A 88 88 THR H H 88 8.350 8.666 -0.316 1
1 926 . 6 1 1 A 88 88 THR HA H 88 4.580 5.019 -0.439 1
1 931 . 6 1 1 A 88 88 THR C C 88 173.700 173.103 0.597 1
1 932 . 6 1 1 A 88 88 THR CA C 88 61.410 61.969 -0.559 1
1 933 . 6 1 1 A 88 88 THR CB C 88 70.570 71.249 -0.679 1
1 935 . 6 1 1 A 88 88 THR N N 88 116.050 116.929 -0.879 1
1 936 . 6 1 1 A 89 89 LEU H H 89 8.950 9.200 -0.250 1
1 937 . 6 1 1 A 89 89 LEU HA H 89 5.210 5.171 0.039 1
1 944 . 6 1 1 A 89 89 LEU C C 89 176.000 176.510 -0.510 1
1 945 . 6 1 1 A 89 89 LEU CA C 89 53.600 53.421 0.179 1
1 946 . 6 1 1 A 89 89 LEU CB C 89 44.840 43.637 1.203 1
1 949 . 6 1 1 A 89 89 LEU N N 89 126.710 127.899 -1.189 1
1 950 . 6 1 1 A 90 90 VAL H H 90 8.820 8.018 0.802 1
1 951 . 6 1 1 A 90 90 VAL HA H 90 4.320 4.519 -0.199 1
1 956 . 6 1 1 A 90 90 VAL C C 90 174.600 174.761 -0.161 1
1 957 . 6 1 1 A 90 90 VAL CA C 90 61.300 59.979 1.321 1
1 958 . 6 1 1 A 90 90 VAL CB C 90 34.850 34.190 0.660 1
1 961 . 6 1 1 A 90 90 VAL N N 90 117.740 119.189 -1.449 1
1 962 . 6 1 1 A 91 91 ASP H H 91 8.510 8.741 -0.231 1
1 963 . 6 1 1 A 91 91 ASP HA H 91 4.890 4.172 0.718 1
1 965 . 6 1 1 A 91 91 ASP C C 91 176.000 174.517 1.483 1
1 966 . 6 1 1 A 91 91 ASP CA C 91 54.920 55.105 -0.185 1
1 967 . 6 1 1 A 91 91 ASP CB C 91 41.590 39.252 2.338 1
1 968 . 6 1 1 A 91 91 ASP N N 91 123.890 119.492 4.398 1
1 969 . 6 1 1 A 92 92 ASP H H 92 8.390 7.933 0.457 1
1 970 . 6 1 1 A 92 92 ASP HA H 92 4.730 4.844 -0.114 1
1 972 . 6 1 1 A 92 92 ASP C C 92 175.800 176.952 -1.152 1
1 973 . 6 1 1 A 92 92 ASP CA C 92 53.890 52.459 1.431 1
1 974 . 6 1 1 A 92 92 ASP CB C 92 41.650 41.677 -0.027 1
1 975 . 6 1 1 A 92 92 ASP N N 92 119.860 116.539 3.321 1
1 976 . 6 1 1 A 93 93 LEU H H 93 8.180 8.594 -0.414 1
1 977 . 6 1 1 A 93 93 LEU HA H 93 4.130 3.932 0.198 1
1 983 . 6 1 1 A 93 93 LEU C C 93 177.700 177.722 -0.022 1
1 984 . 6 1 1 A 93 93 LEU CA C 93 55.920 57.689 -1.769 1
1 985 . 6 1 1 A 93 93 LEU CB C 93 42.120 41.637 0.483 1
1 989 . 6 1 1 A 93 93 LEU N N 93 122.430 120.264 2.166 1
1 990 . 6 1 1 A 94 94 GLU H H 94 8.240 7.623 0.617 1
1 991 . 6 1 1 A 94 94 GLU HA H 94 4.070 4.225 -0.155 1
1 995 . 6 1 1 A 94 94 GLU C C 94 176.500 176.308 0.192 1
1 996 . 6 1 1 A 94 94 GLU CA C 94 56.790 56.600 0.190 1
1 997 . 6 1 1 A 94 94 GLU CB C 94 29.440 29.913 -0.473 1
1 999 . 6 1 1 A 94 94 GLU N N 94 118.890 118.003 0.887 1
1 1000 . 6 1 1 A 95 95 HIS H H 95 8.250 8.762 -0.512 1
1 1001 . 6 1 1 A 95 95 HIS CA C 95 55.680 55.856 -0.176 1
1 1002 . 6 1 1 A 95 95 HIS CB C 95 28.300 30.154 -1.854 1
1 1003 . 6 1 1 A 95 95 HIS N N 95 117.130 121.565 -4.435 1
1 1004 . 6 1 1 A 96 96 HIS H H 96 8.440 8.225 0.215 1
1 1005 . 6 1 1 A 96 96 HIS CA C 96 55.550 56.936 -1.386 1
1 1006 . 6 1 1 A 96 96 HIS CB C 96 28.830 28.887 -0.057 1
1 5 . 7 1 1 A 2 2 VAL HA H 2 3.810 3.755 0.055 1
1 10 . 7 1 1 A 2 2 VAL C C 2 171.900 175.741 -3.841 1
1 11 . 7 1 1 A 2 2 VAL CA C 2 61.200 62.616 -1.416 1
1 12 . 7 1 1 A 2 2 VAL CB C 2 32.900 29.958 2.942 1
1 14 . 7 1 1 A 3 3 LYS H H 3 8.620 7.925 0.695 1
1 15 . 7 1 1 A 3 3 LYS HA H 3 4.400 4.115 0.285 1
1 19 . 7 1 1 A 3 3 LYS C C 3 175.800 176.714 -0.914 1
1 20 . 7 1 1 A 3 3 LYS CA C 3 56.240 58.858 -2.618 1
1 21 . 7 1 1 A 3 3 LYS CB C 3 33.190 32.680 0.510 1
1 25 . 7 1 1 A 3 3 LYS N N 3 126.140 121.118 5.022 1
1 26 . 7 1 1 A 4 4 VAL H H 4 8.350 7.432 0.918 1
1 30 . 7 1 1 A 4 4 VAL C C 4 175.600 176.545 -0.945 1
1 31 . 7 1 1 A 4 4 VAL CA C 4 62.200 62.027 0.173 1
1 32 . 7 1 1 A 4 4 VAL CB C 4 33.060 32.798 0.262 1
1 34 . 7 1 1 A 4 4 VAL N N 4 123.850 117.375 6.475 1
1 35 . 7 1 1 A 5 5 THR H H 5 8.100 8.911 -0.811 1
1 36 . 7 1 1 A 5 5 THR HA H 5 4.060 4.049 0.011 1
1 41 . 7 1 1 A 5 5 THR C C 5 173.400 174.846 -1.446 1
1 42 . 7 1 1 A 5 5 THR CA C 5 61.220 66.719 -5.499 1
1 43 . 7 1 1 A 5 5 THR CB C 5 70.100 69.152 0.948 1
1 45 . 7 1 1 A 5 5 THR N N 5 118.630 119.394 -0.764 1
1 46 . 7 1 1 A 6 6 TYR H H 6 8.300 8.169 0.131 1
1 51 . 7 1 1 A 6 6 TYR C C 6 175.400 174.368 1.032 1
1 52 . 7 1 1 A 6 6 TYR CA C 6 57.480 58.884 -1.404 1
1 53 . 7 1 1 A 6 6 TYR CB C 6 39.400 37.054 2.346 1
1 56 . 7 1 1 A 6 6 TYR N N 6 123.230 120.620 2.610 1
1 57 . 7 1 1 A 7 7 ASP H H 7 8.560 7.836 0.724 1
1 58 . 7 1 1 A 7 7 ASP HA H 7 4.670 4.810 -0.140 1
1 60 . 7 1 1 A 7 7 ASP C C 7 175.100 174.932 0.168 1
1 61 . 7 1 1 A 7 7 ASP CA C 7 54.400 53.810 0.590 1
1 62 . 7 1 1 A 7 7 ASP CB C 7 41.250 42.996 -1.746 1
1 63 . 7 1 1 A 7 7 ASP N N 7 122.230 126.915 -4.685 1
1 64 . 7 1 1 A 8 8 GLY H H 8 7.610 8.627 -1.017 1
1 65 . 7 1 1 A 8 8 GLY HA2 H 8 3.930 3.927 0.003 1
1 66 . 7 1 1 A 8 8 GLY HA3 H 8 4.140 3.933 0.207 1
1 67 . 7 1 1 A 8 8 GLY C C 8 171.900 173.243 -1.343 1
1 68 . 7 1 1 A 8 8 GLY CA C 8 44.940 44.237 0.703 1
1 69 . 7 1 1 A 8 8 GLY N N 8 106.550 113.399 -6.849 1
1 70 . 7 1 1 A 9 9 VAL H H 9 8.050 8.117 -0.067 1
1 71 . 7 1 1 A 9 9 VAL HA H 9 4.520 4.873 -0.353 1
1 79 . 7 1 1 A 9 9 VAL C C 9 173.700 174.935 -1.235 1
1 80 . 7 1 1 A 9 9 VAL CA C 9 59.940 60.628 -0.688 1
1 81 . 7 1 1 A 9 9 VAL CB C 9 33.470 33.600 -0.130 1
1 84 . 7 1 1 A 9 9 VAL N N 9 115.200 119.706 -4.506 1
1 85 . 7 1 1 A 10 10 TYR H H 10 8.720 9.120 -0.400 1
1 89 . 7 1 1 A 10 10 TYR C C 10 175.700 175.657 0.043 1
1 90 . 7 1 1 A 10 10 TYR CA C 10 57.730 57.741 -0.011 1
1 91 . 7 1 1 A 10 10 TYR CB C 10 41.210 39.757 1.453 1
1 94 . 7 1 1 A 10 10 TYR N N 10 122.700 127.449 -4.749 1
1 95 . 7 1 1 A 11 11 VAL H H 11 8.810 8.897 -0.087 1
1 96 . 7 1 1 A 11 11 VAL HA H 11 3.880 4.355 -0.475 1
1 104 . 7 1 1 A 11 11 VAL C C 11 175.700 175.925 -0.225 1
1 105 . 7 1 1 A 11 11 VAL CA C 11 62.810 62.072 0.738 1
1 106 . 7 1 1 A 11 11 VAL CB C 11 31.920 33.180 -1.260 1
1 109 . 7 1 1 A 11 11 VAL N N 11 121.170 123.796 -2.626 1
1 110 . 7 1 1 A 12 12 LEU H H 12 9.390 9.126 0.264 1
1 111 . 7 1 1 A 12 12 LEU HA H 12 4.350 4.445 -0.095 1
1 120 . 7 1 1 A 12 12 LEU CA C 12 56.560 56.805 -0.245 1
1 121 . 7 1 1 A 12 12 LEU CB C 12 43.120 43.044 0.076 1
1 125 . 7 1 1 A 12 12 LEU N N 12 133.040 129.019 4.021 1
1 126 . 7 1 1 A 13 13 SER H H 13 7.490 7.761 -0.271 1
1 127 . 7 1 1 A 13 13 SER HA H 13 3.700 4.893 -1.193 1
1 129 . 7 1 1 A 13 13 SER C C 13 171.100 172.084 -0.984 1
1 130 . 7 1 1 A 13 13 SER CA C 13 56.890 57.737 -0.847 1
1 131 . 7 1 1 A 13 13 SER CB C 13 65.220 66.999 -1.779 1
1 132 . 7 1 1 A 13 13 SER N N 13 109.070 111.259 -2.189 1
1 133 . 7 1 1 A 14 14 VAL H H 14 8.380 8.777 -0.397 1
1 134 . 7 1 1 A 14 14 VAL HA H 14 4.360 4.888 -0.528 1
1 142 . 7 1 1 A 14 14 VAL C C 14 175.500 174.892 0.608 1
1 143 . 7 1 1 A 14 14 VAL CA C 14 61.270 59.613 1.657 1
1 144 . 7 1 1 A 14 14 VAL CB C 14 34.620 35.781 -1.161 1
1 147 . 7 1 1 A 14 14 VAL N N 14 121.190 120.774 0.416 1
1 148 . 7 1 1 A 15 15 LYS H H 15 7.920 8.283 -0.363 1
1 149 . 7 1 1 A 15 15 LYS HA H 15 4.180 4.327 -0.147 1
1 154 . 7 1 1 A 15 15 LYS C C 15 175.600 177.149 -1.549 1
1 155 . 7 1 1 A 15 15 LYS CA C 15 57.150 56.277 0.873 1
1 156 . 7 1 1 A 15 15 LYS CB C 15 33.730 33.139 0.591 1
1 160 . 7 1 1 A 15 15 LYS N N 15 126.860 126.653 0.207 1
1 161 . 7 1 1 A 16 16 GLU H H 16 8.200 8.972 -0.772 1
1 162 . 7 1 1 A 16 16 GLU HA H 16 4.240 4.513 -0.273 1
1 165 . 7 1 1 A 16 16 GLU C C 16 177.000 176.243 0.757 1
1 166 . 7 1 1 A 16 16 GLU CA C 16 56.720 56.354 0.366 1
1 167 . 7 1 1 A 16 16 GLU CB C 16 30.090 30.044 0.046 1
1 169 . 7 1 1 A 16 16 GLU N N 16 117.010 121.710 -4.700 1
1 170 . 7 1 1 A 17 17 ASP H H 17 8.910 7.897 1.013 1
1 171 . 7 1 1 A 17 17 ASP HA H 17 4.420 4.815 -0.395 1
1 173 . 7 1 1 A 17 17 ASP C C 17 174.500 174.969 -0.469 1
1 174 . 7 1 1 A 17 17 ASP CA C 17 54.540 53.563 0.977 1
1 175 . 7 1 1 A 17 17 ASP CB C 17 38.700 41.586 -2.886 1
1 176 . 7 1 1 A 17 17 ASP N N 17 116.410 119.679 -3.269 1
1 177 . 7 1 1 A 18 18 VAL H H 18 6.670 7.473 -0.803 1
1 178 . 7 1 1 A 18 18 VAL HA H 18 4.840 4.703 0.137 1
1 183 . 7 1 1 A 18 18 VAL CA C 18 58.350 58.144 0.206 1
1 184 . 7 1 1 A 18 18 VAL CB C 18 32.330 34.076 -1.746 1
1 186 . 7 1 1 A 18 18 VAL N N 18 108.460 116.499 -8.039 1
1 187 . 7 1 1 A 19 19 PRO HA H 19 4.260 4.243 0.017 1
1 193 . 7 1 1 A 19 19 PRO C C 19 177.600 177.119 0.481 1
1 194 . 7 1 1 A 19 19 PRO CA C 19 65.900 65.562 0.338 1
1 195 . 7 1 1 A 19 19 PRO CB C 19 33.200 31.789 1.411 1
1 198 . 7 1 1 A 20 20 ALA H H 20 8.270 8.087 0.183 1
1 199 . 7 1 1 A 20 20 ALA HA H 20 3.930 4.020 -0.090 1
1 203 . 7 1 1 A 20 20 ALA C C 20 177.100 178.256 -1.156 1
1 204 . 7 1 1 A 20 20 ALA CA C 20 53.150 54.427 -1.277 1
1 205 . 7 1 1 A 20 20 ALA CB C 20 19.850 18.222 1.628 1
1 206 . 7 1 1 A 20 20 ALA N N 20 112.780 118.888 -6.108 1
1 207 . 7 1 1 A 21 21 ALA H H 21 7.880 8.220 -0.340 1
1 208 . 7 1 1 A 21 21 ALA HA H 21 4.040 4.011 0.029 1
1 212 . 7 1 1 A 21 21 ALA C C 21 178.500 178.156 0.344 1
1 213 . 7 1 1 A 21 21 ALA CA C 21 54.210 53.987 0.223 1
1 214 . 7 1 1 A 21 21 ALA CB C 21 18.010 18.400 -0.390 1
1 215 . 7 1 1 A 21 21 ALA N N 21 122.260 120.381 1.879 1
1 216 . 7 1 1 A 22 22 GLY H H 22 8.970 8.642 0.328 1
1 217 . 7 1 1 A 22 22 GLY HA2 H 22 4.120 3.984 0.136 1
1 218 . 7 1 1 A 22 22 GLY HA3 H 22 3.670 4.079 -0.409 1
1 219 . 7 1 1 A 22 22 GLY C C 22 173.300 174.224 -0.924 1
1 220 . 7 1 1 A 22 22 GLY CA C 22 45.210 45.252 -0.042 1
1 221 . 7 1 1 A 22 22 GLY N N 22 110.560 111.854 -1.294 1
1 222 . 7 1 1 A 23 23 ILE H H 23 7.700 7.968 -0.268 1
1 223 . 7 1 1 A 23 23 ILE HA H 23 3.950 4.184 -0.234 1
1 233 . 7 1 1 A 23 23 ILE C C 23 175.300 175.001 0.299 1
1 234 . 7 1 1 A 23 23 ILE CA C 23 62.530 62.418 0.112 1
1 235 . 7 1 1 A 23 23 ILE CB C 23 40.040 40.515 -0.475 1
1 239 . 7 1 1 A 23 23 ILE N N 23 120.200 117.761 2.439 1
1 240 . 7 1 1 A 24 24 LEU H H 24 7.480 7.205 0.275 1
1 241 . 7 1 1 A 24 24 LEU HA H 24 4.250 4.279 -0.029 1
1 248 . 7 1 1 A 24 24 LEU C C 24 174.000 174.816 -0.816 1
1 249 . 7 1 1 A 24 24 LEU CA C 24 52.990 52.874 0.116 1
1 250 . 7 1 1 A 24 24 LEU CB C 24 44.740 44.972 -0.232 1
1 253 . 7 1 1 A 24 24 LEU N N 24 116.660 118.217 -1.557 1
1 254 . 7 1 1 A 25 25 HIS H H 25 8.280 8.606 -0.326 1
1 255 . 7 1 1 A 25 25 HIS HA H 25 4.570 4.933 -0.363 1
1 259 . 7 1 1 A 25 25 HIS C C 25 173.400 174.464 -1.064 1
1 260 . 7 1 1 A 25 25 HIS CA C 25 54.370 54.438 -0.068 1
1 261 . 7 1 1 A 25 25 HIS CB C 25 32.150 33.649 -1.499 1
1 263 . 7 1 1 A 25 25 HIS N N 25 115.300 120.025 -4.725 1
1 264 . 7 1 1 A 26 26 ALA H H 26 8.900 8.640 0.260 1
1 265 . 7 1 1 A 26 26 ALA HA H 26 3.730 3.906 -0.176 1
1 269 . 7 1 1 A 26 26 ALA C C 26 178.500 178.195 0.305 1
1 270 . 7 1 1 A 26 26 ALA CA C 26 53.740 54.002 -0.262 1
1 271 . 7 1 1 A 26 26 ALA CB C 26 18.400 18.423 -0.023 1
1 272 . 7 1 1 A 26 26 ALA N N 26 124.340 124.823 -0.483 1
1 273 . 7 1 1 A 27 27 GLY H H 27 9.430 8.955 0.475 1
1 274 . 7 1 1 A 27 27 GLY HA2 H 27 4.500 3.976 0.524 1
1 275 . 7 1 1 A 27 27 GLY HA3 H 27 3.620 4.023 -0.403 1
1 276 . 7 1 1 A 27 27 GLY C C 27 174.500 174.154 0.346 1
1 277 . 7 1 1 A 27 27 GLY CA C 27 44.900 45.040 -0.140 1
1 278 . 7 1 1 A 27 27 GLY N N 27 113.020 110.904 2.116 1
1 279 . 7 1 1 A 28 28 ASP H H 28 8.150 8.105 0.045 1
1 280 . 7 1 1 A 28 28 ASP HA H 28 5.000 4.822 0.178 1
1 282 . 7 1 1 A 28 28 ASP C C 28 173.800 174.771 -0.971 1
1 283 . 7 1 1 A 28 28 ASP CA C 28 55.510 54.888 0.622 1
1 284 . 7 1 1 A 28 28 ASP CB C 28 41.190 41.733 -0.543 1
1 285 . 7 1 1 A 28 28 ASP N N 28 121.760 121.723 0.037 1
1 286 . 7 1 1 A 29 29 LEU H H 29 8.000 8.820 -0.820 1
1 287 . 7 1 1 A 29 29 LEU HA H 29 4.640 5.185 -0.545 1
1 294 . 7 1 1 A 29 29 LEU C C 29 176.300 175.400 0.900 1
1 295 . 7 1 1 A 29 29 LEU CA C 29 53.120 53.575 -0.455 1
1 296 . 7 1 1 A 29 29 LEU CB C 29 45.320 43.351 1.969 1
1 299 . 7 1 1 A 29 29 LEU N N 29 122.000 123.901 -1.901 1
1 300 . 7 1 1 A 30 30 ILE H H 30 9.210 8.478 0.732 1
1 301 . 7 1 1 A 30 30 ILE HA H 30 4.360 4.332 0.028 1
1 310 . 7 1 1 A 30 30 ILE C C 30 175.800 176.713 -0.913 1
1 311 . 7 1 1 A 30 30 ILE CA C 30 61.200 61.124 0.076 1
1 312 . 7 1 1 A 30 30 ILE CB C 30 38.080 38.302 -0.222 1
1 316 . 7 1 1 A 30 30 ILE N N 30 126.210 125.111 1.099 1
1 317 . 7 1 1 A 31 31 THR H H 31 8.790 8.336 0.454 1
1 318 . 7 1 1 A 31 31 THR HA H 31 4.230 4.499 -0.269 1
1 323 . 7 1 1 A 31 31 THR C C 31 175.900 174.469 1.431 1
1 324 . 7 1 1 A 31 31 THR CA C 31 62.260 61.510 0.750 1
1 325 . 7 1 1 A 31 31 THR CB C 31 69.320 70.258 -0.938 1
1 327 . 7 1 1 A 31 31 THR N N 31 117.100 116.830 0.270 1
1 328 . 7 1 1 A 32 32 GLU H H 32 7.790 7.086 0.704 1
1 329 . 7 1 1 A 32 32 GLU HA H 32 5.080 4.792 0.288 1
1 333 . 7 1 1 A 32 32 GLU C C 32 174.700 174.053 0.647 1
1 334 . 7 1 1 A 32 32 GLU CA C 32 55.870 55.937 -0.067 1
1 335 . 7 1 1 A 32 32 GLU CB C 32 35.300 33.602 1.698 1
1 337 . 7 1 1 A 32 32 GLU N N 32 120.420 120.262 0.158 1
1 338 . 7 1 1 A 33 33 ILE H H 33 8.770 8.706 0.064 1
1 339 . 7 1 1 A 33 33 ILE HA H 33 5.220 4.486 0.734 1
1 348 . 7 1 1 A 33 33 ILE C C 33 174.200 175.369 -1.169 1
1 349 . 7 1 1 A 33 33 ILE CA C 33 59.380 59.741 -0.361 1
1 350 . 7 1 1 A 33 33 ILE CB C 33 41.120 40.506 0.614 1
1 354 . 7 1 1 A 33 33 ILE N N 33 119.470 123.441 -3.971 1
1 355 . 7 1 1 A 34 34 ASP H H 34 10.100 9.758 0.342 1
1 356 . 7 1 1 A 34 34 ASP HA H 34 4.430 4.331 0.099 1
1 359 . 7 1 1 A 34 34 ASP C C 34 176.200 176.189 0.011 1
1 360 . 7 1 1 A 34 34 ASP CA C 34 55.530 55.359 0.171 1
1 361 . 7 1 1 A 34 34 ASP CB C 34 39.000 39.452 -0.452 1
1 362 . 7 1 1 A 34 34 ASP N N 34 128.840 128.389 0.451 1
1 363 . 7 1 1 A 35 35 GLY H H 35 8.860 8.584 0.276 1
1 364 . 7 1 1 A 35 35 GLY HA2 H 35 3.630 3.876 -0.246 1
1 365 . 7 1 1 A 35 35 GLY HA3 H 35 3.970 3.899 0.071 1
1 366 . 7 1 1 A 35 35 GLY C C 35 173.900 174.444 -0.544 1
1 367 . 7 1 1 A 35 35 GLY CA C 35 45.580 45.850 -0.270 1
1 368 . 7 1 1 A 35 35 GLY N N 35 103.110 104.728 -1.618 1
1 369 . 7 1 1 A 36 36 GLN H H 36 8.070 8.355 -0.285 1
1 370 . 7 1 1 A 36 36 GLN HA H 36 4.240 4.380 -0.140 1
1 374 . 7 1 1 A 36 36 GLN C C 36 174.200 175.160 -0.960 1
1 375 . 7 1 1 A 36 36 GLN CA C 36 54.250 54.944 -0.694 1
1 376 . 7 1 1 A 36 36 GLN CB C 36 30.870 30.018 0.852 1
1 378 . 7 1 1 A 36 36 GLN N N 36 119.670 120.266 -0.596 1
1 379 . 7 1 1 A 37 37 SER H H 37 8.290 8.542 -0.252 1
1 380 . 7 1 1 A 37 37 SER HA H 37 3.750 4.082 -0.332 1
1 382 . 7 1 1 A 37 37 SER C C 37 173.500 173.519 -0.019 1
1 383 . 7 1 1 A 37 37 SER CA C 37 56.280 58.076 -1.796 1
1 384 . 7 1 1 A 37 37 SER CB C 37 63.630 64.131 -0.501 1
1 385 . 7 1 1 A 37 37 SER N N 37 118.770 118.574 0.196 1
1 386 . 7 1 1 A 38 38 PHE H H 38 6.960 7.992 -1.032 1
1 387 . 7 1 1 A 38 38 PHE HA H 38 3.090 5.195 -2.105 1
1 391 . 7 1 1 A 38 38 PHE C C 38 175.600 173.793 1.807 1
1 392 . 7 1 1 A 38 38 PHE CA C 38 56.590 56.325 0.265 1
1 393 . 7 1 1 A 38 38 PHE CB C 38 40.910 40.612 0.298 1
1 396 . 7 1 1 A 38 38 PHE N N 38 120.740 118.687 2.053 1
1 397 . 7 1 1 A 39 39 LYS H H 39 8.740 8.941 -0.201 1
1 398 . 7 1 1 A 39 39 LYS HA H 39 4.160 4.591 -0.431 1
1 402 . 7 1 1 A 39 39 LYS C C 39 175.500 175.310 0.190 1
1 403 . 7 1 1 A 39 39 LYS CA C 39 56.500 57.962 -1.462 1
1 404 . 7 1 1 A 39 39 LYS CB C 39 33.210 34.885 -1.675 1
1 408 . 7 1 1 A 39 39 LYS N N 39 118.100 121.163 -3.063 1
1 409 . 7 1 1 A 40 40 SER H H 40 7.480 8.431 -0.951 1
1 410 . 7 1 1 A 40 40 SER HA H 40 3.830 4.752 -0.922 1
1 412 . 7 1 1 A 40 40 SER C C 40 174.800 175.754 -0.954 1
1 413 . 7 1 1 A 40 40 SER CA C 40 56.380 57.551 -1.171 1
1 414 . 7 1 1 A 40 40 SER CB C 40 66.790 64.941 1.849 1
1 415 . 7 1 1 A 40 40 SER N N 40 111.180 114.376 -3.196 1
1 416 . 7 1 1 A 41 41 SER H H 41 10.310 9.031 1.279 1
1 417 . 7 1 1 A 41 41 SER HA H 41 3.780 4.170 -0.390 1
1 419 . 7 1 1 A 41 41 SER C C 41 176.300 176.995 -0.695 1
1 420 . 7 1 1 A 41 41 SER CA C 41 62.530 61.753 0.777 1
1 421 . 7 1 1 A 41 41 SER CB C 41 66.770 62.426 4.344 1
1 422 . 7 1 1 A 41 41 SER N N 41 121.470 118.854 2.616 1
1 423 . 7 1 1 A 42 42 GLN H H 42 8.510 8.164 0.346 1
1 424 . 7 1 1 A 42 42 GLN HA H 42 3.830 4.012 -0.182 1
1 426 . 7 1 1 A 42 42 GLN C C 42 177.300 178.051 -0.751 1
1 427 . 7 1 1 A 42 42 GLN CA C 42 58.480 59.067 -0.587 1
1 428 . 7 1 1 A 42 42 GLN CB C 42 28.450 28.633 -0.183 1
1 430 . 7 1 1 A 42 42 GLN N N 42 121.500 121.756 -0.256 1
1 431 . 7 1 1 A 43 43 GLU H H 43 7.470 8.244 -0.774 1
1 432 . 7 1 1 A 43 43 GLU HA H 43 3.840 4.259 -0.419 1
1 434 . 7 1 1 A 43 43 GLU C C 43 179.200 178.956 0.244 1
1 435 . 7 1 1 A 43 43 GLU CA C 43 59.110 59.161 -0.051 1
1 436 . 7 1 1 A 43 43 GLU CB C 43 29.990 29.586 0.404 1
1 438 . 7 1 1 A 43 43 GLU N N 43 116.740 119.263 -2.523 1
1 439 . 7 1 1 A 44 44 PHE H H 44 7.320 8.099 -0.779 1
1 440 . 7 1 1 A 44 44 PHE HA H 44 3.630 4.223 -0.593 1
1 444 . 7 1 1 A 44 44 PHE C C 44 176.800 177.011 -0.211 1
1 445 . 7 1 1 A 44 44 PHE CA C 44 62.270 61.332 0.938 1
1 446 . 7 1 1 A 44 44 PHE CB C 44 39.920 38.954 0.966 1
1 449 . 7 1 1 A 44 44 PHE N N 44 118.660 122.729 -4.069 1
1 450 . 7 1 1 A 45 45 ILE H H 45 8.120 7.753 0.367 1
1 451 . 7 1 1 A 45 45 ILE HA H 45 3.390 3.260 0.130 1
1 461 . 7 1 1 A 45 45 ILE C C 45 177.600 177.985 -0.385 1
1 462 . 7 1 1 A 45 45 ILE CA C 45 64.000 64.785 -0.785 1
1 463 . 7 1 1 A 45 45 ILE CB C 45 37.440 37.253 0.187 1
1 467 . 7 1 1 A 45 45 ILE N N 45 119.470 120.061 -0.591 1
1 468 . 7 1 1 A 46 46 ASP H H 46 8.590 7.877 0.713 1
1 469 . 7 1 1 A 46 46 ASP HA H 46 4.180 4.372 -0.192 1
1 471 . 7 1 1 A 46 46 ASP C C 46 178.900 178.046 0.854 1
1 472 . 7 1 1 A 46 46 ASP CA C 46 57.000 57.198 -0.198 1
1 473 . 7 1 1 A 46 46 ASP CB C 46 39.350 40.425 -1.075 1
1 474 . 7 1 1 A 46 46 ASP N N 46 119.870 122.036 -2.166 1
1 475 . 7 1 1 A 47 47 TYR H H 47 7.530 8.111 -0.581 1
1 476 . 7 1 1 A 47 47 TYR HA H 47 4.090 4.257 -0.167 1
1 480 . 7 1 1 A 47 47 TYR C C 47 179.500 177.737 1.763 1
1 481 . 7 1 1 A 47 47 TYR CA C 47 61.960 61.494 0.466 1
1 482 . 7 1 1 A 47 47 TYR CB C 47 38.350 38.836 -0.486 1
1 485 . 7 1 1 A 47 47 TYR N N 47 120.170 122.836 -2.666 1
1 486 . 7 1 1 A 48 48 ILE H H 48 8.020 7.659 0.361 1
1 487 . 7 1 1 A 48 48 ILE HA H 48 3.200 3.764 -0.564 1
1 497 . 7 1 1 A 48 48 ILE C C 48 177.000 178.045 -1.045 1
1 498 . 7 1 1 A 48 48 ILE CA C 48 65.450 64.615 0.835 1
1 499 . 7 1 1 A 48 48 ILE CB C 48 36.770 37.535 -0.765 1
1 503 . 7 1 1 A 48 48 ILE N N 48 122.120 117.791 4.329 1
1 504 . 7 1 1 A 49 49 HIS H H 49 8.250 8.126 0.124 1
1 505 . 7 1 1 A 49 49 HIS HA H 49 4.490 4.012 0.478 1
1 507 . 7 1 1 A 49 49 HIS C C 49 174.300 176.127 -1.827 1
1 508 . 7 1 1 A 49 49 HIS CA C 49 55.550 59.135 -3.585 1
1 509 . 7 1 1 A 49 49 HIS CB C 49 28.650 30.000 -1.350 1
1 510 . 7 1 1 A 49 49 HIS N N 49 112.280 122.922 -10.642 1
1 511 . 7 1 1 A 50 50 SER H H 50 7.700 7.490 0.210 1
1 512 . 7 1 1 A 50 50 SER HA H 50 3.970 4.289 -0.319 1
1 514 . 7 1 1 A 50 50 SER C C 50 174.300 173.538 0.762 1
1 515 . 7 1 1 A 50 50 SER CA C 50 59.300 56.123 3.177 1
1 516 . 7 1 1 A 50 50 SER CB C 50 63.840 64.775 -0.935 1
1 517 . 7 1 1 A 50 50 SER N N 50 115.110 114.007 1.103 1
1 518 . 7 1 1 A 51 51 LYS H H 51 7.060 8.706 -1.646 1
1 519 . 7 1 1 A 51 51 LYS HA H 51 4.320 3.962 0.358 1
1 527 . 7 1 1 A 51 51 LYS C C 51 173.100 175.793 -2.693 1
1 528 . 7 1 1 A 51 51 LYS CA C 51 53.730 58.072 -4.342 1
1 529 . 7 1 1 A 51 51 LYS CB C 51 31.350 30.935 0.415 1
1 533 . 7 1 1 A 51 51 LYS N N 51 123.340 121.248 2.092 1
1 534 . 7 1 1 A 52 52 LYS H H 52 8.250 8.518 -0.268 1
1 535 . 7 1 1 A 52 52 LYS HA H 52 4.610 4.881 -0.271 1
1 540 . 7 1 1 A 52 52 LYS C C 52 177.000 175.244 1.756 1
1 541 . 7 1 1 A 52 52 LYS CA C 52 54.060 54.310 -0.250 1
1 542 . 7 1 1 A 52 52 LYS CB C 52 34.900 36.106 -1.206 1
1 546 . 7 1 1 A 52 52 LYS N N 52 115.990 117.528 -1.538 1
1 547 . 7 1 1 A 53 53 VAL H H 53 8.520 8.560 -0.040 1
1 548 . 7 1 1 A 53 53 VAL HA H 53 3.050 3.541 -0.491 1
1 556 . 7 1 1 A 53 53 VAL C C 53 177.200 177.087 0.113 1
1 557 . 7 1 1 A 53 53 VAL CA C 53 66.270 65.383 0.887 1
1 558 . 7 1 1 A 53 53 VAL CB C 53 31.290 31.348 -0.058 1
1 561 . 7 1 1 A 53 53 VAL N N 53 120.780 121.564 -0.784 1
1 562 . 7 1 1 A 54 54 GLY H H 54 8.310 8.892 -0.582 1
1 563 . 7 1 1 A 54 54 GLY HA2 H 54 3.520 4.011 -0.491 1
1 564 . 7 1 1 A 54 54 GLY HA3 H 54 4.520 4.013 0.507 1
1 565 . 7 1 1 A 54 54 GLY C C 54 174.500 174.404 0.096 1
1 566 . 7 1 1 A 54 54 GLY CA C 54 45.010 44.923 0.087 1
1 567 . 7 1 1 A 54 54 GLY N N 54 116.140 115.580 0.560 1
1 568 . 7 1 1 A 55 55 ASP H H 55 8.110 7.793 0.317 1
1 569 . 7 1 1 A 55 55 ASP HA H 55 4.710 4.674 0.036 1
1 572 . 7 1 1 A 55 55 ASP C C 55 175.000 175.013 -0.013 1
1 573 . 7 1 1 A 55 55 ASP CA C 55 54.950 54.909 0.041 1
1 574 . 7 1 1 A 55 55 ASP CB C 55 41.300 42.471 -1.171 1
1 575 . 7 1 1 A 55 55 ASP N N 55 121.670 121.605 0.065 1
1 576 . 7 1 1 A 56 56 THR H H 56 8.670 8.611 0.059 1
1 577 . 7 1 1 A 56 56 THR HA H 56 3.920 4.946 -1.026 1
1 582 . 7 1 1 A 56 56 THR C C 56 175.200 172.475 2.725 1
1 583 . 7 1 1 A 56 56 THR CA C 56 62.350 60.522 1.828 1
1 584 . 7 1 1 A 56 56 THR CB C 56 70.380 71.701 -1.321 1
1 586 . 7 1 1 A 56 56 THR N N 56 115.670 114.846 0.824 1
1 587 . 7 1 1 A 57 57 VAL H H 57 8.990 8.355 0.635 1
1 588 . 7 1 1 A 57 57 VAL HA H 57 5.190 5.128 0.062 1
1 596 . 7 1 1 A 57 57 VAL C C 57 173.900 173.320 0.580 1
1 597 . 7 1 1 A 57 57 VAL CA C 57 58.570 58.976 -0.406 1
1 598 . 7 1 1 A 57 57 VAL CB C 57 34.480 36.245 -1.765 1
1 601 . 7 1 1 A 57 57 VAL N N 57 119.230 120.257 -1.027 1
1 602 . 7 1 1 A 58 58 LYS H H 58 9.000 9.336 -0.336 1
1 603 . 7 1 1 A 58 58 LYS HA H 58 5.170 5.150 0.020 1
1 608 . 7 1 1 A 58 58 LYS C C 58 176.400 174.351 2.049 1
1 609 . 7 1 1 A 58 58 LYS CA C 58 54.990 54.526 0.464 1
1 610 . 7 1 1 A 58 58 LYS CB C 58 33.510 35.240 -1.730 1
1 614 . 7 1 1 A 58 58 LYS N N 58 123.700 122.172 1.528 1
1 615 . 7 1 1 A 59 59 ILE H H 59 9.460 8.995 0.465 1
1 616 . 7 1 1 A 59 59 ILE HA H 59 5.100 5.010 0.090 1
1 626 . 7 1 1 A 59 59 ILE C C 59 175.100 174.470 0.630 1
1 627 . 7 1 1 A 59 59 ILE CA C 59 59.940 59.881 0.059 1
1 628 . 7 1 1 A 59 59 ILE CB C 59 41.740 41.149 0.591 1
1 632 . 7 1 1 A 59 59 ILE N N 59 125.190 128.101 -2.911 1
1 633 . 7 1 1 A 60 60 LYS H H 60 8.780 8.326 0.454 1
1 634 . 7 1 1 A 60 60 LYS HA H 60 5.210 5.308 -0.098 1
1 639 . 7 1 1 A 60 60 LYS C C 60 175.000 174.625 0.375 1
1 640 . 7 1 1 A 60 60 LYS CA C 60 55.910 54.791 1.119 1
1 641 . 7 1 1 A 60 60 LYS CB C 60 34.340 35.497 -1.157 1
1 645 . 7 1 1 A 60 60 LYS N N 60 126.140 126.626 -0.486 1
1 646 . 7 1 1 A 61 61 TYR H H 61 8.660 8.424 0.236 1
1 647 . 7 1 1 A 61 61 TYR HA H 61 5.680 5.398 0.282 1
1 651 . 7 1 1 A 61 61 TYR CA C 61 55.090 55.537 -0.447 1
1 652 . 7 1 1 A 61 61 TYR CB C 61 41.640 42.004 -0.364 1
1 655 . 7 1 1 A 61 61 TYR N N 61 120.100 123.070 -2.970 1
1 656 . 7 1 1 A 62 62 LYS H H 62 9.590 8.825 0.765 1
1 657 . 7 1 1 A 62 62 LYS C C 62 172.100 174.975 -2.875 1
1 658 . 7 1 1 A 62 62 LYS CA C 62 54.820 54.602 0.218 1
1 659 . 7 1 1 A 62 62 LYS CB C 62 35.540 35.539 0.001 1
1 660 . 7 1 1 A 62 62 LYS N N 62 120.730 119.794 0.936 1
1 661 . 7 1 1 A 63 63 HIS H H 63 8.570 8.734 -0.164 1
1 662 . 7 1 1 A 63 63 HIS HA H 63 5.240 4.821 0.419 1
1 665 . 7 1 1 A 63 63 HIS C C 63 175.200 175.123 0.077 1
1 666 . 7 1 1 A 63 63 HIS CA C 63 54.100 55.396 -1.296 1
1 667 . 7 1 1 A 63 63 HIS CB C 63 30.300 32.282 -1.982 1
1 668 . 7 1 1 A 63 63 HIS N N 63 123.800 123.892 -0.092 1
1 669 . 7 1 1 A 64 64 GLY H H 64 9.080 8.806 0.274 1
1 670 . 7 1 1 A 64 64 GLY HA2 H 64 3.730 3.547 0.183 1
1 671 . 7 1 1 A 64 64 GLY C C 64 174.200 174.758 -0.558 1
1 672 . 7 1 1 A 64 64 GLY CA C 64 47.090 47.205 -0.115 1
1 673 . 7 1 1 A 64 64 GLY N N 64 119.110 116.083 3.027 1
1 674 . 7 1 1 A 65 65 ASN H H 65 8.770 8.746 0.024 1
1 675 . 7 1 1 A 65 65 ASN HA H 65 4.650 4.848 -0.198 1
1 677 . 7 1 1 A 65 65 ASN C C 65 174.600 174.989 -0.389 1
1 678 . 7 1 1 A 65 65 ASN CA C 65 53.080 52.443 0.637 1
1 679 . 7 1 1 A 65 65 ASN CB C 65 38.700 39.057 -0.357 1
1 680 . 7 1 1 A 65 65 ASN N N 65 122.390 124.773 -2.383 1
1 681 . 7 1 1 A 66 66 LYS H H 66 7.830 7.549 0.281 1
1 682 . 7 1 1 A 66 66 LYS HA H 66 4.470 4.946 -0.476 1
1 686 . 7 1 1 A 66 66 LYS C C 66 174.900 174.825 0.075 1
1 687 . 7 1 1 A 66 66 LYS CA C 66 55.490 54.988 0.502 1
1 688 . 7 1 1 A 66 66 LYS CB C 66 34.670 35.222 -0.552 1
1 692 . 7 1 1 A 66 66 LYS N N 66 120.640 119.977 0.663 1
1 693 . 7 1 1 A 67 67 ASN H H 67 8.570 8.799 -0.229 1
1 694 . 7 1 1 A 67 67 ASN HA H 67 4.860 5.303 -0.443 1
1 696 . 7 1 1 A 67 67 ASN C C 67 174.700 174.339 0.361 1
1 697 . 7 1 1 A 67 67 ASN CA C 67 53.680 51.941 1.739 1
1 698 . 7 1 1 A 67 67 ASN CB C 67 39.050 40.559 -1.509 1
1 699 . 7 1 1 A 67 67 ASN N N 67 123.400 125.387 -1.987 1
1 700 . 7 1 1 A 68 68 GLU H H 68 8.970 7.986 0.984 1
1 701 . 7 1 1 A 68 68 GLU HA H 68 4.630 4.964 -0.334 1
1 704 . 7 1 1 A 68 68 GLU C C 68 174.500 174.867 -0.367 1
1 705 . 7 1 1 A 68 68 GLU CA C 68 54.130 54.398 -0.268 1
1 706 . 7 1 1 A 68 68 GLU CB C 68 32.450 34.031 -1.581 1
1 708 . 7 1 1 A 68 68 GLU N N 68 123.040 122.452 0.588 1
1 709 . 7 1 1 A 69 69 GLU H H 69 8.440 9.022 -0.582 1
1 710 . 7 1 1 A 69 69 GLU HA H 69 5.500 5.367 0.133 1
1 713 . 7 1 1 A 69 69 GLU C C 69 175.000 174.725 0.275 1
1 714 . 7 1 1 A 69 69 GLU CA C 69 55.010 54.564 0.446 1
1 715 . 7 1 1 A 69 69 GLU CB C 69 33.200 33.499 -0.299 1
1 717 . 7 1 1 A 69 69 GLU N N 69 118.940 118.227 0.713 1
1 718 . 7 1 1 A 70 70 ALA H H 70 9.140 8.291 0.849 1
1 719 . 7 1 1 A 70 70 ALA HA H 70 4.840 4.991 -0.151 1
1 723 . 7 1 1 A 70 70 ALA C C 70 175.500 175.757 -0.257 1
1 724 . 7 1 1 A 70 70 ALA CA C 70 51.720 51.418 0.302 1
1 725 . 7 1 1 A 70 70 ALA CB C 70 23.780 23.848 -0.068 1
1 726 . 7 1 1 A 70 70 ALA N N 70 124.420 122.013 2.407 1
1 727 . 7 1 1 A 71 71 SER H H 71 8.640 8.635 0.005 1
1 728 . 7 1 1 A 71 71 SER HA H 71 5.480 5.574 -0.094 1
1 731 . 7 1 1 A 71 71 SER C C 71 173.900 173.746 0.154 1
1 732 . 7 1 1 A 71 71 SER CA C 71 57.470 57.835 -0.365 1
1 733 . 7 1 1 A 71 71 SER CB C 71 63.760 65.298 -1.538 1
1 734 . 7 1 1 A 71 71 SER N N 71 118.040 115.957 2.083 1
1 735 . 7 1 1 A 72 72 ILE H H 72 9.100 8.476 0.624 1
1 736 . 7 1 1 A 72 72 ILE HA H 72 4.340 5.047 -0.707 1
1 746 . 7 1 1 A 72 72 ILE C C 72 173.500 174.478 -0.978 1
1 747 . 7 1 1 A 72 72 ILE CA C 72 60.140 58.813 1.327 1
1 748 . 7 1 1 A 72 72 ILE CB C 72 41.920 42.093 -0.173 1
1 752 . 7 1 1 A 72 72 ILE N N 72 124.670 120.337 4.333 1
1 753 . 7 1 1 A 73 73 LYS H H 73 8.530 8.486 0.044 1
1 754 . 7 1 1 A 73 73 LYS HA H 73 4.810 4.551 0.259 1
1 759 . 7 1 1 A 73 73 LYS C C 73 176.000 177.011 -1.011 1
1 760 . 7 1 1 A 73 73 LYS CA C 73 55.630 55.769 -0.139 1
1 761 . 7 1 1 A 73 73 LYS CB C 73 33.440 33.661 -0.221 1
1 765 . 7 1 1 A 73 73 LYS N N 73 128.060 124.864 3.196 1
1 766 . 7 1 1 A 74 74 LEU H H 74 8.900 8.201 0.699 1
1 767 . 7 1 1 A 74 74 LEU HA H 74 4.230 4.348 -0.118 1
1 774 . 7 1 1 A 74 74 LEU C C 74 178.400 176.447 1.953 1
1 775 . 7 1 1 A 74 74 LEU CA C 74 55.520 55.344 0.176 1
1 776 . 7 1 1 A 74 74 LEU CB C 74 42.240 42.345 -0.105 1
1 779 . 7 1 1 A 74 74 LEU N N 74 123.270 125.579 -2.309 1
1 780 . 7 1 1 A 75 75 THR H H 75 8.550 8.815 -0.265 1
1 781 . 7 1 1 A 75 75 THR HA H 75 4.680 5.087 -0.407 1
1 786 . 7 1 1 A 75 75 THR C C 75 172.600 172.825 -0.225 1
1 787 . 7 1 1 A 75 75 THR CA C 75 59.400 59.225 0.175 1
1 788 . 7 1 1 A 75 75 THR CB C 75 71.300 72.325 -1.025 1
1 790 . 7 1 1 A 75 75 THR N N 75 116.480 114.090 2.390 1
1 791 . 7 1 1 A 76 76 ALA H H 76 8.360 8.684 -0.324 1
1 792 . 7 1 1 A 76 76 ALA HA H 76 4.490 4.430 0.060 1
1 796 . 7 1 1 A 76 76 ALA C C 76 179.100 178.099 1.001 1
1 797 . 7 1 1 A 76 76 ALA CA C 76 51.730 52.243 -0.513 1
1 798 . 7 1 1 A 76 76 ALA CB C 76 18.930 18.727 0.203 1
1 799 . 7 1 1 A 76 76 ALA N N 76 123.400 124.895 -1.495 1
1 800 . 7 1 1 A 77 77 ILE H H 77 8.850 8.853 -0.003 1
1 801 . 7 1 1 A 77 77 ILE HA H 77 4.370 4.387 -0.017 1
1 811 . 7 1 1 A 77 77 ILE C C 77 174.900 175.171 -0.271 1
1 812 . 7 1 1 A 77 77 ILE CA C 77 59.850 61.692 -1.842 1
1 813 . 7 1 1 A 77 77 ILE CB C 77 39.200 39.509 -0.309 1
1 817 . 7 1 1 A 77 77 ILE N N 77 118.310 119.031 -0.721 1
1 818 . 7 1 1 A 78 78 ASP H H 78 7.580 7.965 -0.385 1
1 819 . 7 1 1 A 78 78 ASP HA H 78 4.670 4.812 -0.142 1
1 822 . 7 1 1 A 78 78 ASP C C 78 177.300 176.717 0.583 1
1 823 . 7 1 1 A 78 78 ASP CA C 78 52.500 53.152 -0.652 1
1 824 . 7 1 1 A 78 78 ASP CB C 78 42.100 42.690 -0.590 1
1 825 . 7 1 1 A 78 78 ASP N N 78 118.160 122.533 -4.373 1
1 826 . 7 1 1 A 79 79 LYS H H 79 8.380 8.708 -0.328 1
1 827 . 7 1 1 A 79 79 LYS HA H 79 4.200 3.972 0.228 1
1 832 . 7 1 1 A 79 79 LYS C C 79 177.200 178.061 -0.861 1
1 833 . 7 1 1 A 79 79 LYS CA C 79 57.620 59.572 -1.952 1
1 834 . 7 1 1 A 79 79 LYS CB C 79 31.940 32.200 -0.260 1
1 838 . 7 1 1 A 79 79 LYS N N 79 117.260 124.727 -7.467 1
1 839 . 7 1 1 A 80 80 LYS H H 80 7.900 7.531 0.369 1
1 840 . 7 1 1 A 80 80 LYS HA H 80 4.350 4.338 0.012 1
1 845 . 7 1 1 A 80 80 LYS C C 80 176.800 176.519 0.281 1
1 846 . 7 1 1 A 80 80 LYS CA C 80 56.070 55.728 0.342 1
1 847 . 7 1 1 A 80 80 LYS CB C 80 32.430 32.151 0.279 1
1 851 . 7 1 1 A 80 80 LYS N N 80 118.240 116.895 1.345 1
1 852 . 7 1 1 A 81 81 GLY H H 81 7.850 8.270 -0.420 1
1 853 . 7 1 1 A 81 81 GLY HA2 H 81 4.170 3.879 0.291 1
1 854 . 7 1 1 A 81 81 GLY HA3 H 81 3.520 3.883 -0.363 1
1 855 . 7 1 1 A 81 81 GLY C C 81 173.700 174.698 -0.998 1
1 856 . 7 1 1 A 81 81 GLY CA C 81 45.340 47.029 -1.689 1
1 857 . 7 1 1 A 81 81 GLY N N 81 107.740 109.047 -1.307 1
1 858 . 7 1 1 A 82 82 THR H H 82 8.760 8.181 0.579 1
1 859 . 7 1 1 A 82 82 THR HA H 82 4.060 4.260 -0.200 1
1 864 . 7 1 1 A 82 82 THR CA C 82 61.340 60.080 1.260 1
1 865 . 7 1 1 A 82 82 THR CB C 82 68.440 69.164 -0.724 1
1 867 . 7 1 1 A 82 82 THR N N 82 122.360 115.827 6.533 1
1 868 . 7 1 1 A 83 83 PRO HA H 83 4.760 4.322 0.438 1
1 874 . 7 1 1 A 83 83 PRO C C 83 177.100 175.849 1.251 1
1 875 . 7 1 1 A 83 83 PRO CA C 83 61.750 63.510 -1.760 1
1 876 . 7 1 1 A 83 83 PRO CB C 83 33.000 31.650 1.350 1
1 879 . 7 1 1 A 84 84 GLY H H 84 8.870 7.820 1.050 1
1 880 . 7 1 1 A 84 84 GLY HA2 H 84 4.140 4.125 0.015 1
1 881 . 7 1 1 A 84 84 GLY C C 84 171.400 172.266 -0.866 1
1 882 . 7 1 1 A 84 84 GLY CA C 84 46.360 44.898 1.462 1
1 883 . 7 1 1 A 84 84 GLY N N 84 104.120 108.171 -4.051 1
1 884 . 7 1 1 A 85 85 ILE H H 85 8.920 8.543 0.377 1
1 885 . 7 1 1 A 85 85 ILE HA H 85 4.570 4.659 -0.089 1
1 895 . 7 1 1 A 85 85 ILE C C 85 175.100 175.505 -0.405 1
1 896 . 7 1 1 A 85 85 ILE CA C 85 61.110 59.003 2.107 1
1 897 . 7 1 1 A 85 85 ILE CB C 85 40.020 40.105 -0.085 1
1 901 . 7 1 1 A 85 85 ILE N N 85 112.690 115.961 -3.271 1
1 902 . 7 1 1 A 86 86 GLY H H 86 8.980 8.539 0.441 1
1 903 . 7 1 1 A 86 86 GLY HA2 H 86 3.770 4.030 -0.260 1
1 904 . 7 1 1 A 86 86 GLY HA3 H 86 4.160 4.030 0.130 1
1 905 . 7 1 1 A 86 86 GLY C C 86 173.300 173.287 0.013 1
1 906 . 7 1 1 A 86 86 GLY CA C 86 45.960 46.593 -0.633 1
1 907 . 7 1 1 A 86 86 GLY N N 86 112.050 109.559 2.491 1
1 908 . 7 1 1 A 87 87 ILE H H 87 7.290 8.573 -1.283 1
1 909 . 7 1 1 A 87 87 ILE HA H 87 5.170 5.331 -0.161 1
1 918 . 7 1 1 A 87 87 ILE C C 87 174.800 174.634 0.166 1
1 919 . 7 1 1 A 87 87 ILE CA C 87 58.850 58.696 0.154 1
1 920 . 7 1 1 A 87 87 ILE CB C 87 41.480 42.213 -0.733 1
1 924 . 7 1 1 A 87 87 ILE N N 87 110.880 118.371 -7.491 1
1 925 . 7 1 1 A 88 88 THR H H 88 8.350 8.422 -0.072 1
1 926 . 7 1 1 A 88 88 THR HA H 88 4.580 5.023 -0.443 1
1 931 . 7 1 1 A 88 88 THR C C 88 173.700 173.380 0.320 1
1 932 . 7 1 1 A 88 88 THR CA C 88 61.410 61.844 -0.434 1
1 933 . 7 1 1 A 88 88 THR CB C 88 70.570 71.134 -0.564 1
1 935 . 7 1 1 A 88 88 THR N N 88 116.050 117.123 -1.073 1
1 936 . 7 1 1 A 89 89 LEU H H 89 8.950 9.234 -0.284 1
1 937 . 7 1 1 A 89 89 LEU HA H 89 5.210 5.228 -0.018 1
1 944 . 7 1 1 A 89 89 LEU C C 89 176.000 176.400 -0.400 1
1 945 . 7 1 1 A 89 89 LEU CA C 89 53.600 53.456 0.144 1
1 946 . 7 1 1 A 89 89 LEU CB C 89 44.840 44.932 -0.092 1
1 949 . 7 1 1 A 89 89 LEU N N 89 126.710 126.494 0.216 1
1 950 . 7 1 1 A 90 90 VAL H H 90 8.820 8.750 0.070 1
1 951 . 7 1 1 A 90 90 VAL HA H 90 4.320 4.968 -0.648 1
1 956 . 7 1 1 A 90 90 VAL C C 90 174.600 174.796 -0.196 1
1 957 . 7 1 1 A 90 90 VAL CA C 90 61.300 59.717 1.583 1
1 958 . 7 1 1 A 90 90 VAL CB C 90 34.850 34.435 0.415 1
1 961 . 7 1 1 A 90 90 VAL N N 90 117.740 118.715 -0.975 1
1 962 . 7 1 1 A 91 91 ASP H H 91 8.510 8.697 -0.187 1
1 963 . 7 1 1 A 91 91 ASP HA H 91 4.890 4.911 -0.021 1
1 965 . 7 1 1 A 91 91 ASP C C 91 176.000 175.537 0.463 1
1 966 . 7 1 1 A 91 91 ASP CA C 91 54.920 53.207 1.713 1
1 967 . 7 1 1 A 91 91 ASP CB C 91 41.590 41.906 -0.316 1
1 968 . 7 1 1 A 91 91 ASP N N 91 123.890 122.885 1.005 1
1 969 . 7 1 1 A 92 92 ASP H H 92 8.390 8.547 -0.157 1
1 970 . 7 1 1 A 92 92 ASP HA H 92 4.730 4.540 0.190 1
1 972 . 7 1 1 A 92 92 ASP C C 92 175.800 176.134 -0.334 1
1 973 . 7 1 1 A 92 92 ASP CA C 92 53.890 54.558 -0.668 1
1 974 . 7 1 1 A 92 92 ASP CB C 92 41.650 40.421 1.229 1
1 975 . 7 1 1 A 92 92 ASP N N 92 119.860 121.581 -1.721 1
1 976 . 7 1 1 A 93 93 LEU H H 93 8.180 8.760 -0.580 1
1 977 . 7 1 1 A 93 93 LEU HA H 93 4.130 3.821 0.309 1
1 983 . 7 1 1 A 93 93 LEU C C 93 177.700 176.755 0.945 1
1 984 . 7 1 1 A 93 93 LEU CA C 93 55.920 56.385 -0.465 1
1 985 . 7 1 1 A 93 93 LEU CB C 93 42.120 40.122 1.998 1
1 989 . 7 1 1 A 93 93 LEU N N 93 122.430 120.285 2.145 1
1 990 . 7 1 1 A 94 94 GLU H H 94 8.240 8.109 0.131 1
1 991 . 7 1 1 A 94 94 GLU HA H 94 4.070 4.076 -0.006 1
1 995 . 7 1 1 A 94 94 GLU C C 94 176.500 178.648 -2.148 1
1 996 . 7 1 1 A 94 94 GLU CA C 94 56.790 59.125 -2.335 1
1 997 . 7 1 1 A 94 94 GLU CB C 94 29.440 29.436 0.004 1
1 999 . 7 1 1 A 94 94 GLU N N 94 118.890 118.794 0.096 1
1 1000 . 7 1 1 A 95 95 HIS H H 95 8.250 8.232 0.018 1
1 1001 . 7 1 1 A 95 95 HIS CA C 95 55.680 58.080 -2.400 1
1 1002 . 7 1 1 A 95 95 HIS CB C 95 28.300 30.486 -2.186 1
1 1003 . 7 1 1 A 95 95 HIS N N 95 117.130 119.987 -2.857 1
1 1004 . 7 1 1 A 96 96 HIS H H 96 8.440 7.901 0.539 1
1 1005 . 7 1 1 A 96 96 HIS CA C 96 55.550 58.964 -3.414 1
1 1006 . 7 1 1 A 96 96 HIS CB C 96 28.830 29.920 -1.090 1
1 5 . 8 1 1 A 2 2 VAL HA H 2 3.810 3.936 -0.126 1
1 10 . 8 1 1 A 2 2 VAL C C 2 171.900 176.425 -4.525 1
1 11 . 8 1 1 A 2 2 VAL CA C 2 61.200 64.943 -3.743 1
1 12 . 8 1 1 A 2 2 VAL CB C 2 32.900 31.939 0.961 1
1 14 . 8 1 1 A 3 3 LYS H H 3 8.620 7.636 0.984 1
1 15 . 8 1 1 A 3 3 LYS HA H 3 4.400 4.222 0.178 1
1 19 . 8 1 1 A 3 3 LYS C C 3 175.800 176.071 -0.271 1
1 20 . 8 1 1 A 3 3 LYS CA C 3 56.240 56.180 0.060 1
1 21 . 8 1 1 A 3 3 LYS CB C 3 33.190 32.888 0.302 1
1 25 . 8 1 1 A 3 3 LYS N N 3 126.140 122.566 3.574 1
1 26 . 8 1 1 A 4 4 VAL H H 4 8.350 8.389 -0.039 1
1 30 . 8 1 1 A 4 4 VAL C C 4 175.600 175.048 0.552 1
1 31 . 8 1 1 A 4 4 VAL CA C 4 62.200 63.006 -0.806 1
1 32 . 8 1 1 A 4 4 VAL CB C 4 33.060 31.889 1.171 1
1 34 . 8 1 1 A 4 4 VAL N N 4 123.850 126.578 -2.728 1
1 35 . 8 1 1 A 5 5 THR H H 5 8.100 8.319 -0.219 1
1 36 . 8 1 1 A 5 5 THR HA H 5 4.060 4.552 -0.492 1
1 41 . 8 1 1 A 5 5 THR C C 5 173.400 173.722 -0.322 1
1 42 . 8 1 1 A 5 5 THR CA C 5 61.220 63.076 -1.856 1
1 43 . 8 1 1 A 5 5 THR CB C 5 70.100 71.291 -1.191 1
1 45 . 8 1 1 A 5 5 THR N N 5 118.630 121.433 -2.803 1
1 46 . 8 1 1 A 6 6 TYR H H 6 8.300 7.837 0.463 1
1 51 . 8 1 1 A 6 6 TYR C C 6 175.400 175.057 0.343 1
1 52 . 8 1 1 A 6 6 TYR CA C 6 57.480 57.794 -0.314 1
1 53 . 8 1 1 A 6 6 TYR CB C 6 39.400 39.298 0.102 1
1 56 . 8 1 1 A 6 6 TYR N N 6 123.230 120.379 2.851 1
1 57 . 8 1 1 A 7 7 ASP H H 7 8.560 8.900 -0.340 1
1 58 . 8 1 1 A 7 7 ASP HA H 7 4.670 4.974 -0.304 1
1 60 . 8 1 1 A 7 7 ASP C C 7 175.100 177.073 -1.973 1
1 61 . 8 1 1 A 7 7 ASP CA C 7 54.400 54.233 0.167 1
1 62 . 8 1 1 A 7 7 ASP CB C 7 41.250 43.425 -2.175 1
1 63 . 8 1 1 A 7 7 ASP N N 7 122.230 119.173 3.057 1
1 64 . 8 1 1 A 8 8 GLY H H 8 7.610 8.096 -0.486 1
1 65 . 8 1 1 A 8 8 GLY HA2 H 8 3.930 3.779 0.151 1
1 66 . 8 1 1 A 8 8 GLY HA3 H 8 4.140 3.863 0.277 1
1 67 . 8 1 1 A 8 8 GLY C C 8 171.900 173.104 -1.204 1
1 68 . 8 1 1 A 8 8 GLY CA C 8 44.940 46.407 -1.467 1
1 69 . 8 1 1 A 8 8 GLY N N 8 106.550 107.418 -0.868 1
1 70 . 8 1 1 A 9 9 VAL H H 9 8.050 8.066 -0.016 1
1 71 . 8 1 1 A 9 9 VAL HA H 9 4.520 4.639 -0.119 1
1 79 . 8 1 1 A 9 9 VAL C C 9 173.700 174.065 -0.365 1
1 80 . 8 1 1 A 9 9 VAL CA C 9 59.940 60.712 -0.772 1
1 81 . 8 1 1 A 9 9 VAL CB C 9 33.470 34.778 -1.308 1
1 84 . 8 1 1 A 9 9 VAL N N 9 115.200 120.729 -5.529 1
1 85 . 8 1 1 A 10 10 TYR H H 10 8.720 8.920 -0.200 1
1 89 . 8 1 1 A 10 10 TYR C C 10 175.700 175.618 0.082 1
1 90 . 8 1 1 A 10 10 TYR CA C 10 57.730 56.845 0.885 1
1 91 . 8 1 1 A 10 10 TYR CB C 10 41.210 40.456 0.754 1
1 94 . 8 1 1 A 10 10 TYR N N 10 122.700 125.943 -3.243 1
1 95 . 8 1 1 A 11 11 VAL H H 11 8.810 8.478 0.332 1
1 96 . 8 1 1 A 11 11 VAL HA H 11 3.880 3.937 -0.057 1
1 104 . 8 1 1 A 11 11 VAL C C 11 175.700 176.005 -0.305 1
1 105 . 8 1 1 A 11 11 VAL CA C 11 62.810 63.771 -0.961 1
1 106 . 8 1 1 A 11 11 VAL CB C 11 31.920 31.819 0.101 1
1 109 . 8 1 1 A 11 11 VAL N N 11 121.170 125.140 -3.970 1
1 110 . 8 1 1 A 12 12 LEU H H 12 9.390 9.134 0.256 1
1 111 . 8 1 1 A 12 12 LEU HA H 12 4.350 4.227 0.123 1
1 120 . 8 1 1 A 12 12 LEU CA C 12 56.560 57.358 -0.798 1
1 121 . 8 1 1 A 12 12 LEU CB C 12 43.120 42.468 0.652 1
1 125 . 8 1 1 A 12 12 LEU N N 12 133.040 129.092 3.948 1
1 126 . 8 1 1 A 13 13 SER H H 13 7.490 7.730 -0.240 1
1 127 . 8 1 1 A 13 13 SER HA H 13 3.700 4.829 -1.129 1
1 129 . 8 1 1 A 13 13 SER C C 13 171.100 172.237 -1.137 1
1 130 . 8 1 1 A 13 13 SER CA C 13 56.890 57.531 -0.641 1
1 131 . 8 1 1 A 13 13 SER CB C 13 65.220 65.605 -0.385 1
1 132 . 8 1 1 A 13 13 SER N N 13 109.070 108.971 0.099 1
1 133 . 8 1 1 A 14 14 VAL H H 14 8.380 8.589 -0.209 1
1 134 . 8 1 1 A 14 14 VAL HA H 14 4.360 4.609 -0.249 1
1 142 . 8 1 1 A 14 14 VAL C C 14 175.500 175.413 0.087 1
1 143 . 8 1 1 A 14 14 VAL CA C 14 61.270 61.382 -0.112 1
1 144 . 8 1 1 A 14 14 VAL CB C 14 34.620 34.969 -0.349 1
1 147 . 8 1 1 A 14 14 VAL N N 14 121.190 121.468 -0.278 1
1 148 . 8 1 1 A 15 15 LYS H H 15 7.920 8.723 -0.803 1
1 149 . 8 1 1 A 15 15 LYS HA H 15 4.180 4.385 -0.205 1
1 154 . 8 1 1 A 15 15 LYS C C 15 175.600 176.992 -1.392 1
1 155 . 8 1 1 A 15 15 LYS CA C 15 57.150 56.218 0.932 1
1 156 . 8 1 1 A 15 15 LYS CB C 15 33.730 33.353 0.377 1
1 160 . 8 1 1 A 15 15 LYS N N 15 126.860 127.616 -0.756 1
1 161 . 8 1 1 A 16 16 GLU H H 16 8.200 8.902 -0.702 1
1 162 . 8 1 1 A 16 16 GLU HA H 16 4.240 4.606 -0.366 1
1 165 . 8 1 1 A 16 16 GLU C C 16 177.000 176.167 0.833 1
1 166 . 8 1 1 A 16 16 GLU CA C 16 56.720 56.400 0.320 1
1 167 . 8 1 1 A 16 16 GLU CB C 16 30.090 29.392 0.698 1
1 169 . 8 1 1 A 16 16 GLU N N 16 117.010 121.077 -4.067 1
1 170 . 8 1 1 A 17 17 ASP H H 17 8.910 7.924 0.986 1
1 171 . 8 1 1 A 17 17 ASP HA H 17 4.420 4.900 -0.480 1
1 173 . 8 1 1 A 17 17 ASP C C 17 174.500 174.990 -0.490 1
1 174 . 8 1 1 A 17 17 ASP CA C 17 54.540 53.590 0.950 1
1 175 . 8 1 1 A 17 17 ASP CB C 17 38.700 41.749 -3.049 1
1 176 . 8 1 1 A 17 17 ASP N N 17 116.410 119.726 -3.316 1
1 177 . 8 1 1 A 18 18 VAL H H 18 6.670 7.367 -0.697 1
1 178 . 8 1 1 A 18 18 VAL HA H 18 4.840 4.723 0.117 1
1 183 . 8 1 1 A 18 18 VAL CA C 18 58.350 58.182 0.168 1
1 184 . 8 1 1 A 18 18 VAL CB C 18 32.330 34.162 -1.832 1
1 186 . 8 1 1 A 18 18 VAL N N 18 108.460 116.079 -7.619 1
1 187 . 8 1 1 A 19 19 PRO HA H 19 4.260 4.233 0.027 1
1 193 . 8 1 1 A 19 19 PRO C C 19 177.600 177.414 0.186 1
1 194 . 8 1 1 A 19 19 PRO CA C 19 65.900 65.782 0.118 1
1 195 . 8 1 1 A 19 19 PRO CB C 19 33.200 31.769 1.431 1
1 198 . 8 1 1 A 20 20 ALA H H 20 8.270 8.007 0.263 1
1 199 . 8 1 1 A 20 20 ALA HA H 20 3.930 4.143 -0.213 1
1 203 . 8 1 1 A 20 20 ALA C C 20 177.100 177.846 -0.746 1
1 204 . 8 1 1 A 20 20 ALA CA C 20 53.150 54.028 -0.878 1
1 205 . 8 1 1 A 20 20 ALA CB C 20 19.850 18.448 1.402 1
1 206 . 8 1 1 A 20 20 ALA N N 20 112.780 118.593 -5.813 1
1 207 . 8 1 1 A 21 21 ALA H H 21 7.880 8.249 -0.369 1
1 208 . 8 1 1 A 21 21 ALA HA H 21 4.040 4.054 -0.014 1
1 212 . 8 1 1 A 21 21 ALA C C 21 178.500 178.539 -0.039 1
1 213 . 8 1 1 A 21 21 ALA CA C 21 54.210 53.616 0.594 1
1 214 . 8 1 1 A 21 21 ALA CB C 21 18.010 18.615 -0.605 1
1 215 . 8 1 1 A 21 21 ALA N N 21 122.260 121.121 1.139 1
1 216 . 8 1 1 A 22 22 GLY H H 22 8.970 8.721 0.249 1
1 217 . 8 1 1 A 22 22 GLY HA2 H 22 4.120 3.959 0.161 1
1 218 . 8 1 1 A 22 22 GLY HA3 H 22 3.670 3.968 -0.298 1
1 219 . 8 1 1 A 22 22 GLY C C 22 173.300 173.528 -0.228 1
1 220 . 8 1 1 A 22 22 GLY CA C 22 45.210 45.662 -0.452 1
1 221 . 8 1 1 A 22 22 GLY N N 22 110.560 110.264 0.296 1
1 222 . 8 1 1 A 23 23 ILE H H 23 7.700 7.923 -0.223 1
1 223 . 8 1 1 A 23 23 ILE HA H 23 3.950 4.240 -0.290 1
1 233 . 8 1 1 A 23 23 ILE C C 23 175.300 175.097 0.203 1
1 234 . 8 1 1 A 23 23 ILE CA C 23 62.530 62.638 -0.108 1
1 235 . 8 1 1 A 23 23 ILE CB C 23 40.040 40.579 -0.539 1
1 239 . 8 1 1 A 23 23 ILE N N 23 120.200 117.810 2.390 1
1 240 . 8 1 1 A 24 24 LEU H H 24 7.480 7.715 -0.235 1
1 241 . 8 1 1 A 24 24 LEU HA H 24 4.250 4.455 -0.205 1
1 248 . 8 1 1 A 24 24 LEU C C 24 174.000 174.790 -0.790 1
1 249 . 8 1 1 A 24 24 LEU CA C 24 52.990 53.084 -0.094 1
1 250 . 8 1 1 A 24 24 LEU CB C 24 44.740 43.321 1.419 1
1 253 . 8 1 1 A 24 24 LEU N N 24 116.660 118.811 -2.151 1
1 254 . 8 1 1 A 25 25 HIS H H 25 8.280 8.631 -0.351 1
1 255 . 8 1 1 A 25 25 HIS HA H 25 4.570 4.876 -0.306 1
1 259 . 8 1 1 A 25 25 HIS C C 25 173.400 174.691 -1.291 1
1 260 . 8 1 1 A 25 25 HIS CA C 25 54.370 54.695 -0.325 1
1 261 . 8 1 1 A 25 25 HIS CB C 25 32.150 32.014 0.136 1
1 263 . 8 1 1 A 25 25 HIS N N 25 115.300 121.868 -6.568 1
1 264 . 8 1 1 A 26 26 ALA H H 26 8.900 8.574 0.326 1
1 265 . 8 1 1 A 26 26 ALA HA H 26 3.730 3.907 -0.177 1
1 269 . 8 1 1 A 26 26 ALA C C 26 178.500 178.280 0.220 1
1 270 . 8 1 1 A 26 26 ALA CA C 26 53.740 53.881 -0.141 1
1 271 . 8 1 1 A 26 26 ALA CB C 26 18.400 18.600 -0.200 1
1 272 . 8 1 1 A 26 26 ALA N N 26 124.340 126.266 -1.926 1
1 273 . 8 1 1 A 27 27 GLY H H 27 9.430 8.865 0.565 1
1 274 . 8 1 1 A 27 27 GLY HA2 H 27 4.500 4.093 0.407 1
1 275 . 8 1 1 A 27 27 GLY HA3 H 27 3.620 4.117 -0.497 1
1 276 . 8 1 1 A 27 27 GLY C C 27 174.500 174.575 -0.075 1
1 277 . 8 1 1 A 27 27 GLY CA C 27 44.900 45.116 -0.216 1
1 278 . 8 1 1 A 27 27 GLY N N 27 113.020 110.429 2.591 1
1 279 . 8 1 1 A 28 28 ASP H H 28 8.150 7.971 0.179 1
1 280 . 8 1 1 A 28 28 ASP HA H 28 5.000 4.790 0.210 1
1 282 . 8 1 1 A 28 28 ASP C C 28 173.800 175.156 -1.356 1
1 283 . 8 1 1 A 28 28 ASP CA C 28 55.510 54.421 1.089 1
1 284 . 8 1 1 A 28 28 ASP CB C 28 41.190 41.070 0.120 1
1 285 . 8 1 1 A 28 28 ASP N N 28 121.760 121.164 0.596 1
1 286 . 8 1 1 A 29 29 LEU H H 29 8.000 8.225 -0.225 1
1 287 . 8 1 1 A 29 29 LEU HA H 29 4.640 4.675 -0.035 1
1 294 . 8 1 1 A 29 29 LEU C C 29 176.300 175.123 1.177 1
1 295 . 8 1 1 A 29 29 LEU CA C 29 53.120 53.833 -0.713 1
1 296 . 8 1 1 A 29 29 LEU CB C 29 45.320 44.056 1.264 1
1 299 . 8 1 1 A 29 29 LEU N N 29 122.000 125.372 -3.372 1
1 300 . 8 1 1 A 30 30 ILE H H 30 9.210 8.327 0.883 1
1 301 . 8 1 1 A 30 30 ILE HA H 30 4.360 4.477 -0.117 1
1 310 . 8 1 1 A 30 30 ILE C C 30 175.800 176.961 -1.161 1
1 311 . 8 1 1 A 30 30 ILE CA C 30 61.200 61.453 -0.253 1
1 312 . 8 1 1 A 30 30 ILE CB C 30 38.080 37.229 0.851 1
1 316 . 8 1 1 A 30 30 ILE N N 30 126.210 127.042 -0.832 1
1 317 . 8 1 1 A 31 31 THR H H 31 8.790 9.661 -0.871 1
1 318 . 8 1 1 A 31 31 THR HA H 31 4.230 4.483 -0.253 1
1 323 . 8 1 1 A 31 31 THR C C 31 175.900 174.717 1.183 1
1 324 . 8 1 1 A 31 31 THR CA C 31 62.260 62.187 0.073 1
1 325 . 8 1 1 A 31 31 THR CB C 31 69.320 69.218 0.102 1
1 327 . 8 1 1 A 31 31 THR N N 31 117.100 120.298 -3.198 1
1 328 . 8 1 1 A 32 32 GLU H H 32 7.790 7.372 0.418 1
1 329 . 8 1 1 A 32 32 GLU HA H 32 5.080 4.790 0.290 1
1 333 . 8 1 1 A 32 32 GLU C C 32 174.700 174.107 0.593 1
1 334 . 8 1 1 A 32 32 GLU CA C 32 55.870 56.104 -0.234 1
1 335 . 8 1 1 A 32 32 GLU CB C 32 35.300 33.503 1.797 1
1 337 . 8 1 1 A 32 32 GLU N N 32 120.420 119.865 0.555 1
1 338 . 8 1 1 A 33 33 ILE H H 33 8.770 8.569 0.201 1
1 339 . 8 1 1 A 33 33 ILE HA H 33 5.220 4.671 0.549 1
1 348 . 8 1 1 A 33 33 ILE C C 33 174.200 174.878 -0.678 1
1 349 . 8 1 1 A 33 33 ILE CA C 33 59.380 60.066 -0.686 1
1 350 . 8 1 1 A 33 33 ILE CB C 33 41.120 41.205 -0.085 1
1 354 . 8 1 1 A 33 33 ILE N N 33 119.470 124.757 -5.287 1
1 355 . 8 1 1 A 34 34 ASP H H 34 10.100 9.162 0.938 1
1 356 . 8 1 1 A 34 34 ASP HA H 34 4.430 4.294 0.136 1
1 359 . 8 1 1 A 34 34 ASP C C 34 176.200 175.325 0.875 1
1 360 . 8 1 1 A 34 34 ASP CA C 34 55.530 55.044 0.486 1
1 361 . 8 1 1 A 34 34 ASP CB C 34 39.000 39.624 -0.624 1
1 362 . 8 1 1 A 34 34 ASP N N 34 128.840 129.160 -0.320 1
1 363 . 8 1 1 A 35 35 GLY H H 35 8.860 8.505 0.355 1
1 364 . 8 1 1 A 35 35 GLY HA2 H 35 3.630 3.837 -0.207 1
1 365 . 8 1 1 A 35 35 GLY HA3 H 35 3.970 3.839 0.131 1
1 366 . 8 1 1 A 35 35 GLY C C 35 173.900 173.836 0.064 1
1 367 . 8 1 1 A 35 35 GLY CA C 35 45.580 45.426 0.154 1
1 368 . 8 1 1 A 35 35 GLY N N 35 103.110 104.401 -1.291 1
1 369 . 8 1 1 A 36 36 GLN H H 36 8.070 8.205 -0.135 1
1 370 . 8 1 1 A 36 36 GLN HA H 36 4.240 4.526 -0.286 1
1 374 . 8 1 1 A 36 36 GLN C C 36 174.200 175.775 -1.575 1
1 375 . 8 1 1 A 36 36 GLN CA C 36 54.250 54.842 -0.592 1
1 376 . 8 1 1 A 36 36 GLN CB C 36 30.870 30.229 0.641 1
1 378 . 8 1 1 A 36 36 GLN N N 36 119.670 119.930 -0.260 1
1 379 . 8 1 1 A 37 37 SER H H 37 8.290 8.377 -0.087 1
1 380 . 8 1 1 A 37 37 SER HA H 37 3.750 4.441 -0.691 1
1 382 . 8 1 1 A 37 37 SER C C 37 173.500 174.144 -0.644 1
1 383 . 8 1 1 A 37 37 SER CA C 37 56.280 58.672 -2.392 1
1 384 . 8 1 1 A 37 37 SER CB C 37 63.630 63.380 0.250 1
1 385 . 8 1 1 A 37 37 SER N N 37 118.770 115.466 3.304 1
1 386 . 8 1 1 A 38 38 PHE H H 38 6.960 7.634 -0.674 1
1 387 . 8 1 1 A 38 38 PHE HA H 38 3.090 4.614 -1.524 1
1 391 . 8 1 1 A 38 38 PHE C C 38 175.600 174.127 1.473 1
1 392 . 8 1 1 A 38 38 PHE CA C 38 56.590 58.980 -2.390 1
1 393 . 8 1 1 A 38 38 PHE CB C 38 40.910 37.845 3.065 1
1 396 . 8 1 1 A 38 38 PHE N N 38 120.740 117.543 3.197 1
1 397 . 8 1 1 A 39 39 LYS H H 39 8.740 9.202 -0.462 1
1 398 . 8 1 1 A 39 39 LYS HA H 39 4.160 4.927 -0.767 1
1 402 . 8 1 1 A 39 39 LYS C C 39 175.500 174.995 0.505 1
1 403 . 8 1 1 A 39 39 LYS CA C 39 56.500 55.326 1.174 1
1 404 . 8 1 1 A 39 39 LYS CB C 39 33.210 33.667 -0.457 1
1 408 . 8 1 1 A 39 39 LYS N N 39 118.100 123.726 -5.626 1
1 409 . 8 1 1 A 40 40 SER H H 40 7.480 8.425 -0.945 1
1 410 . 8 1 1 A 40 40 SER HA H 40 3.830 4.833 -1.003 1
1 412 . 8 1 1 A 40 40 SER C C 40 174.800 174.223 0.577 1
1 413 . 8 1 1 A 40 40 SER CA C 40 56.380 57.388 -1.008 1
1 414 . 8 1 1 A 40 40 SER CB C 40 66.790 65.519 1.271 1
1 415 . 8 1 1 A 40 40 SER N N 40 111.180 116.876 -5.696 1
1 416 . 8 1 1 A 41 41 SER H H 41 10.310 8.842 1.468 1
1 417 . 8 1 1 A 41 41 SER HA H 41 3.780 4.244 -0.464 1
1 419 . 8 1 1 A 41 41 SER C C 41 176.300 176.697 -0.397 1
1 420 . 8 1 1 A 41 41 SER CA C 41 62.530 61.890 0.640 1
1 421 . 8 1 1 A 41 41 SER CB C 41 66.770 62.577 4.193 1
1 422 . 8 1 1 A 41 41 SER N N 41 121.470 117.654 3.816 1
1 423 . 8 1 1 A 42 42 GLN H H 42 8.510 7.964 0.546 1
1 424 . 8 1 1 A 42 42 GLN HA H 42 3.830 4.041 -0.211 1
1 426 . 8 1 1 A 42 42 GLN C C 42 177.300 178.724 -1.424 1
1 427 . 8 1 1 A 42 42 GLN CA C 42 58.480 59.008 -0.528 1
1 428 . 8 1 1 A 42 42 GLN CB C 42 28.450 28.166 0.284 1
1 430 . 8 1 1 A 42 42 GLN N N 42 121.500 121.178 0.322 1
1 431 . 8 1 1 A 43 43 GLU H H 43 7.470 8.249 -0.779 1
1 432 . 8 1 1 A 43 43 GLU HA H 43 3.840 4.110 -0.270 1
1 434 . 8 1 1 A 43 43 GLU C C 43 179.200 178.843 0.357 1
1 435 . 8 1 1 A 43 43 GLU CA C 43 59.110 58.845 0.265 1
1 436 . 8 1 1 A 43 43 GLU CB C 43 29.990 29.539 0.451 1
1 438 . 8 1 1 A 43 43 GLU N N 43 116.740 120.444 -3.704 1
1 439 . 8 1 1 A 44 44 PHE H H 44 7.320 8.336 -1.016 1
1 440 . 8 1 1 A 44 44 PHE HA H 44 3.630 4.234 -0.604 1
1 444 . 8 1 1 A 44 44 PHE C C 44 176.800 177.023 -0.223 1
1 445 . 8 1 1 A 44 44 PHE CA C 44 62.270 61.342 0.928 1
1 446 . 8 1 1 A 44 44 PHE CB C 44 39.920 39.040 0.880 1
1 449 . 8 1 1 A 44 44 PHE N N 44 118.660 122.622 -3.962 1
1 450 . 8 1 1 A 45 45 ILE H H 45 8.120 9.167 -1.047 1
1 451 . 8 1 1 A 45 45 ILE HA H 45 3.390 3.737 -0.347 1
1 461 . 8 1 1 A 45 45 ILE C C 45 177.600 177.880 -0.280 1
1 462 . 8 1 1 A 45 45 ILE CA C 45 64.000 65.463 -1.463 1
1 463 . 8 1 1 A 45 45 ILE CB C 45 37.440 37.467 -0.027 1
1 467 . 8 1 1 A 45 45 ILE N N 45 119.470 120.524 -1.054 1
1 468 . 8 1 1 A 46 46 ASP H H 46 8.590 7.988 0.602 1
1 469 . 8 1 1 A 46 46 ASP HA H 46 4.180 4.278 -0.098 1
1 471 . 8 1 1 A 46 46 ASP C C 46 178.900 178.143 0.757 1
1 472 . 8 1 1 A 46 46 ASP CA C 46 57.000 57.414 -0.414 1
1 473 . 8 1 1 A 46 46 ASP CB C 46 39.350 39.797 -0.447 1
1 474 . 8 1 1 A 46 46 ASP N N 46 119.870 121.433 -1.563 1
1 475 . 8 1 1 A 47 47 TYR H H 47 7.530 7.818 -0.288 1
1 476 . 8 1 1 A 47 47 TYR HA H 47 4.090 4.086 0.004 1
1 480 . 8 1 1 A 47 47 TYR C C 47 179.500 177.440 2.060 1
1 481 . 8 1 1 A 47 47 TYR CA C 47 61.960 61.209 0.751 1
1 482 . 8 1 1 A 47 47 TYR CB C 47 38.350 38.585 -0.235 1
1 485 . 8 1 1 A 47 47 TYR N N 47 120.170 122.294 -2.124 1
1 486 . 8 1 1 A 48 48 ILE H H 48 8.020 7.503 0.517 1
1 487 . 8 1 1 A 48 48 ILE HA H 48 3.200 3.593 -0.393 1
1 497 . 8 1 1 A 48 48 ILE C C 48 177.000 178.026 -1.026 1
1 498 . 8 1 1 A 48 48 ILE CA C 48 65.450 64.454 0.996 1
1 499 . 8 1 1 A 48 48 ILE CB C 48 36.770 37.416 -0.646 1
1 503 . 8 1 1 A 48 48 ILE N N 48 122.120 117.970 4.150 1
1 504 . 8 1 1 A 49 49 HIS H H 49 8.250 8.340 -0.090 1
1 505 . 8 1 1 A 49 49 HIS HA H 49 4.490 4.088 0.402 1
1 507 . 8 1 1 A 49 49 HIS C C 49 174.300 176.664 -2.364 1
1 508 . 8 1 1 A 49 49 HIS CA C 49 55.550 59.074 -3.524 1
1 509 . 8 1 1 A 49 49 HIS CB C 49 28.650 29.991 -1.341 1
1 510 . 8 1 1 A 49 49 HIS N N 49 112.280 122.755 -10.475 1
1 511 . 8 1 1 A 50 50 SER H H 50 7.700 7.554 0.146 1
1 512 . 8 1 1 A 50 50 SER HA H 50 3.970 4.345 -0.375 1
1 514 . 8 1 1 A 50 50 SER C C 50 174.300 174.183 0.117 1
1 515 . 8 1 1 A 50 50 SER CA C 50 59.300 57.889 1.411 1
1 516 . 8 1 1 A 50 50 SER CB C 50 63.840 64.134 -0.294 1
1 517 . 8 1 1 A 50 50 SER N N 50 115.110 109.671 5.439 1
1 518 . 8 1 1 A 51 51 LYS H H 51 7.060 7.255 -0.195 1
1 519 . 8 1 1 A 51 51 LYS HA H 51 4.320 4.329 -0.009 1
1 527 . 8 1 1 A 51 51 LYS C C 51 173.100 176.438 -3.338 1
1 528 . 8 1 1 A 51 51 LYS CA C 51 53.730 55.616 -1.886 1
1 529 . 8 1 1 A 51 51 LYS CB C 51 31.350 33.436 -2.086 1
1 533 . 8 1 1 A 51 51 LYS N N 51 123.340 123.045 0.295 1
1 534 . 8 1 1 A 52 52 LYS H H 52 8.250 8.260 -0.010 1
1 535 . 8 1 1 A 52 52 LYS HA H 52 4.610 4.264 0.346 1
1 540 . 8 1 1 A 52 52 LYS C C 52 177.000 177.430 -0.430 1
1 541 . 8 1 1 A 52 52 LYS CA C 52 54.060 56.577 -2.517 1
1 542 . 8 1 1 A 52 52 LYS CB C 52 34.900 32.772 2.128 1
1 546 . 8 1 1 A 52 52 LYS N N 52 115.990 125.111 -9.121 1
1 547 . 8 1 1 A 53 53 VAL H H 53 8.520 8.545 -0.025 1
1 548 . 8 1 1 A 53 53 VAL HA H 53 3.050 3.551 -0.501 1
1 556 . 8 1 1 A 53 53 VAL C C 53 177.200 177.151 0.049 1
1 557 . 8 1 1 A 53 53 VAL CA C 53 66.270 65.376 0.894 1
1 558 . 8 1 1 A 53 53 VAL CB C 53 31.290 31.403 -0.113 1
1 561 . 8 1 1 A 53 53 VAL N N 53 120.780 123.022 -2.242 1
1 562 . 8 1 1 A 54 54 GLY H H 54 8.310 8.711 -0.401 1
1 563 . 8 1 1 A 54 54 GLY HA2 H 54 3.520 3.987 -0.467 1
1 564 . 8 1 1 A 54 54 GLY HA3 H 54 4.520 3.990 0.530 1
1 565 . 8 1 1 A 54 54 GLY C C 54 174.500 173.964 0.536 1
1 566 . 8 1 1 A 54 54 GLY CA C 54 45.010 44.908 0.102 1
1 567 . 8 1 1 A 54 54 GLY N N 54 116.140 115.326 0.814 1
1 568 . 8 1 1 A 55 55 ASP H H 55 8.110 7.646 0.464 1
1 569 . 8 1 1 A 55 55 ASP HA H 55 4.710 4.584 0.126 1
1 572 . 8 1 1 A 55 55 ASP C C 55 175.000 175.656 -0.656 1
1 573 . 8 1 1 A 55 55 ASP CA C 55 54.950 54.542 0.408 1
1 574 . 8 1 1 A 55 55 ASP CB C 55 41.300 41.991 -0.691 1
1 575 . 8 1 1 A 55 55 ASP N N 55 121.670 122.079 -0.409 1
1 576 . 8 1 1 A 56 56 THR H H 56 8.670 8.568 0.102 1
1 577 . 8 1 1 A 56 56 THR HA H 56 3.920 4.926 -1.006 1
1 582 . 8 1 1 A 56 56 THR C C 56 175.200 174.664 0.536 1
1 583 . 8 1 1 A 56 56 THR CA C 56 62.350 62.105 0.245 1
1 584 . 8 1 1 A 56 56 THR CB C 56 70.380 70.174 0.206 1
1 586 . 8 1 1 A 56 56 THR N N 56 115.670 119.533 -3.863 1
1 587 . 8 1 1 A 57 57 VAL H H 57 8.990 9.232 -0.242 1
1 588 . 8 1 1 A 57 57 VAL HA H 57 5.190 5.127 0.063 1
1 596 . 8 1 1 A 57 57 VAL C C 57 173.900 173.657 0.243 1
1 597 . 8 1 1 A 57 57 VAL CA C 57 58.570 59.369 -0.799 1
1 598 . 8 1 1 A 57 57 VAL CB C 57 34.480 35.587 -1.107 1
1 601 . 8 1 1 A 57 57 VAL N N 57 119.230 121.758 -2.528 1
1 602 . 8 1 1 A 58 58 LYS H H 58 9.000 8.850 0.150 1
1 603 . 8 1 1 A 58 58 LYS HA H 58 5.170 5.172 -0.002 1
1 608 . 8 1 1 A 58 58 LYS C C 58 176.400 174.192 2.208 1
1 609 . 8 1 1 A 58 58 LYS CA C 58 54.990 54.651 0.339 1
1 610 . 8 1 1 A 58 58 LYS CB C 58 33.510 35.233 -1.723 1
1 614 . 8 1 1 A 58 58 LYS N N 58 123.700 121.588 2.112 1
1 615 . 8 1 1 A 59 59 ILE H H 59 9.460 8.785 0.675 1
1 616 . 8 1 1 A 59 59 ILE HA H 59 5.100 4.948 0.152 1
1 626 . 8 1 1 A 59 59 ILE C C 59 175.100 174.784 0.316 1
1 627 . 8 1 1 A 59 59 ILE CA C 59 59.940 60.347 -0.407 1
1 628 . 8 1 1 A 59 59 ILE CB C 59 41.740 40.806 0.934 1
1 632 . 8 1 1 A 59 59 ILE N N 59 125.190 128.029 -2.839 1
1 633 . 8 1 1 A 60 60 LYS H H 60 8.780 8.341 0.439 1
1 634 . 8 1 1 A 60 60 LYS HA H 60 5.210 5.210 0.000 1
1 639 . 8 1 1 A 60 60 LYS C C 60 175.000 174.729 0.271 1
1 640 . 8 1 1 A 60 60 LYS CA C 60 55.910 54.799 1.111 1
1 641 . 8 1 1 A 60 60 LYS CB C 60 34.340 35.525 -1.185 1
1 645 . 8 1 1 A 60 60 LYS N N 60 126.140 128.737 -2.597 1
1 646 . 8 1 1 A 61 61 TYR H H 61 8.660 8.525 0.135 1
1 647 . 8 1 1 A 61 61 TYR HA H 61 5.680 5.812 -0.132 1
1 651 . 8 1 1 A 61 61 TYR CA C 61 55.090 55.919 -0.829 1
1 652 . 8 1 1 A 61 61 TYR CB C 61 41.640 42.293 -0.653 1
1 655 . 8 1 1 A 61 61 TYR N N 61 120.100 122.831 -2.731 1
1 656 . 8 1 1 A 62 62 LYS H H 62 9.590 8.468 1.122 1
1 657 . 8 1 1 A 62 62 LYS C C 62 172.100 174.741 -2.641 1
1 658 . 8 1 1 A 62 62 LYS CA C 62 54.820 54.998 -0.178 1
1 659 . 8 1 1 A 62 62 LYS CB C 62 35.540 36.353 -0.813 1
1 660 . 8 1 1 A 62 62 LYS N N 62 120.730 119.990 0.740 1
1 661 . 8 1 1 A 63 63 HIS H H 63 8.570 8.731 -0.161 1
1 662 . 8 1 1 A 63 63 HIS HA H 63 5.240 5.129 0.111 1
1 665 . 8 1 1 A 63 63 HIS C C 63 175.200 175.159 0.041 1
1 666 . 8 1 1 A 63 63 HIS CA C 63 54.100 55.108 -1.008 1
1 667 . 8 1 1 A 63 63 HIS CB C 63 30.300 32.918 -2.618 1
1 668 . 8 1 1 A 63 63 HIS N N 63 123.800 124.244 -0.444 1
1 669 . 8 1 1 A 64 64 GLY H H 64 9.080 8.631 0.449 1
1 670 . 8 1 1 A 64 64 GLY HA2 H 64 3.730 3.697 0.033 1
1 671 . 8 1 1 A 64 64 GLY C C 64 174.200 174.868 -0.668 1
1 672 . 8 1 1 A 64 64 GLY CA C 64 47.090 47.290 -0.200 1
1 673 . 8 1 1 A 64 64 GLY N N 64 119.110 115.562 3.548 1
1 674 . 8 1 1 A 65 65 ASN H H 65 8.770 8.783 -0.013 1
1 675 . 8 1 1 A 65 65 ASN HA H 65 4.650 4.793 -0.143 1
1 677 . 8 1 1 A 65 65 ASN C C 65 174.600 174.906 -0.306 1
1 678 . 8 1 1 A 65 65 ASN CA C 65 53.080 53.241 -0.161 1
1 679 . 8 1 1 A 65 65 ASN CB C 65 38.700 40.106 -1.406 1
1 680 . 8 1 1 A 65 65 ASN N N 65 122.390 124.733 -2.343 1
1 681 . 8 1 1 A 66 66 LYS H H 66 7.830 7.550 0.280 1
1 682 . 8 1 1 A 66 66 LYS HA H 66 4.470 4.569 -0.099 1
1 686 . 8 1 1 A 66 66 LYS C C 66 174.900 175.923 -1.023 1
1 687 . 8 1 1 A 66 66 LYS CA C 66 55.490 55.691 -0.201 1
1 688 . 8 1 1 A 66 66 LYS CB C 66 34.670 33.164 1.506 1
1 692 . 8 1 1 A 66 66 LYS N N 66 120.640 117.713 2.927 1
1 693 . 8 1 1 A 67 67 ASN H H 67 8.570 8.818 -0.248 1
1 694 . 8 1 1 A 67 67 ASN HA H 67 4.860 5.276 -0.416 1
1 696 . 8 1 1 A 67 67 ASN C C 67 174.700 174.840 -0.140 1
1 697 . 8 1 1 A 67 67 ASN CA C 67 53.680 52.454 1.226 1
1 698 . 8 1 1 A 67 67 ASN CB C 67 39.050 40.458 -1.408 1
1 699 . 8 1 1 A 67 67 ASN N N 67 123.400 124.429 -1.029 1
1 700 . 8 1 1 A 68 68 GLU H H 68 8.970 8.053 0.917 1
1 701 . 8 1 1 A 68 68 GLU HA H 68 4.630 5.067 -0.437 1
1 704 . 8 1 1 A 68 68 GLU C C 68 174.500 174.641 -0.141 1
1 705 . 8 1 1 A 68 68 GLU CA C 68 54.130 54.525 -0.395 1
1 706 . 8 1 1 A 68 68 GLU CB C 68 32.450 34.212 -1.762 1
1 708 . 8 1 1 A 68 68 GLU N N 68 123.040 122.525 0.515 1
1 709 . 8 1 1 A 69 69 GLU H H 69 8.440 8.927 -0.487 1
1 710 . 8 1 1 A 69 69 GLU HA H 69 5.500 5.029 0.471 1
1 713 . 8 1 1 A 69 69 GLU C C 69 175.000 174.419 0.581 1
1 714 . 8 1 1 A 69 69 GLU CA C 69 55.010 54.388 0.622 1
1 715 . 8 1 1 A 69 69 GLU CB C 69 33.200 33.301 -0.101 1
1 717 . 8 1 1 A 69 69 GLU N N 69 118.940 119.892 -0.952 1
1 718 . 8 1 1 A 70 70 ALA H H 70 9.140 8.493 0.647 1
1 719 . 8 1 1 A 70 70 ALA HA H 70 4.840 4.948 -0.108 1
1 723 . 8 1 1 A 70 70 ALA C C 70 175.500 175.860 -0.360 1
1 724 . 8 1 1 A 70 70 ALA CA C 70 51.720 51.327 0.393 1
1 725 . 8 1 1 A 70 70 ALA CB C 70 23.780 23.386 0.394 1
1 726 . 8 1 1 A 70 70 ALA N N 70 124.420 121.860 2.560 1
1 727 . 8 1 1 A 71 71 SER H H 71 8.640 8.665 -0.025 1
1 728 . 8 1 1 A 71 71 SER HA H 71 5.480 5.132 0.348 1
1 731 . 8 1 1 A 71 71 SER C C 71 173.900 173.892 0.008 1
1 732 . 8 1 1 A 71 71 SER CA C 71 57.470 56.589 0.881 1
1 733 . 8 1 1 A 71 71 SER CB C 71 63.760 64.604 -0.844 1
1 734 . 8 1 1 A 71 71 SER N N 71 118.040 115.403 2.637 1
1 735 . 8 1 1 A 72 72 ILE H H 72 9.100 8.870 0.230 1
1 736 . 8 1 1 A 72 72 ILE HA H 72 4.340 4.780 -0.440 1
1 746 . 8 1 1 A 72 72 ILE C C 72 173.500 175.456 -1.956 1
1 747 . 8 1 1 A 72 72 ILE CA C 72 60.140 60.355 -0.215 1
1 748 . 8 1 1 A 72 72 ILE CB C 72 41.920 41.700 0.220 1
1 752 . 8 1 1 A 72 72 ILE N N 72 124.670 125.421 -0.751 1
1 753 . 8 1 1 A 73 73 LYS H H 73 8.530 8.405 0.125 1
1 754 . 8 1 1 A 73 73 LYS HA H 73 4.810 4.675 0.135 1
1 759 . 8 1 1 A 73 73 LYS C C 73 176.000 176.267 -0.267 1
1 760 . 8 1 1 A 73 73 LYS CA C 73 55.630 56.056 -0.426 1
1 761 . 8 1 1 A 73 73 LYS CB C 73 33.440 33.206 0.234 1
1 765 . 8 1 1 A 73 73 LYS N N 73 128.060 126.616 1.444 1
1 766 . 8 1 1 A 74 74 LEU H H 74 8.900 8.047 0.853 1
1 767 . 8 1 1 A 74 74 LEU HA H 74 4.230 4.290 -0.060 1
1 774 . 8 1 1 A 74 74 LEU C C 74 178.400 176.718 1.682 1
1 775 . 8 1 1 A 74 74 LEU CA C 74 55.520 55.401 0.119 1
1 776 . 8 1 1 A 74 74 LEU CB C 74 42.240 42.216 0.024 1
1 779 . 8 1 1 A 74 74 LEU N N 74 123.270 123.147 0.123 1
1 780 . 8 1 1 A 75 75 THR H H 75 8.550 8.351 0.199 1
1 781 . 8 1 1 A 75 75 THR HA H 75 4.680 5.081 -0.401 1
1 786 . 8 1 1 A 75 75 THR C C 75 172.600 172.622 -0.022 1
1 787 . 8 1 1 A 75 75 THR CA C 75 59.400 59.445 -0.045 1
1 788 . 8 1 1 A 75 75 THR CB C 75 71.300 71.982 -0.682 1
1 790 . 8 1 1 A 75 75 THR N N 75 116.480 114.519 1.961 1
1 791 . 8 1 1 A 76 76 ALA H H 76 8.360 8.648 -0.288 1
1 792 . 8 1 1 A 76 76 ALA HA H 76 4.490 4.407 0.083 1
1 796 . 8 1 1 A 76 76 ALA C C 76 179.100 178.467 0.633 1
1 797 . 8 1 1 A 76 76 ALA CA C 76 51.730 52.111 -0.381 1
1 798 . 8 1 1 A 76 76 ALA CB C 76 18.930 18.850 0.080 1
1 799 . 8 1 1 A 76 76 ALA N N 76 123.400 125.041 -1.641 1
1 800 . 8 1 1 A 77 77 ILE H H 77 8.850 8.778 0.072 1
1 801 . 8 1 1 A 77 77 ILE HA H 77 4.370 4.491 -0.121 1
1 811 . 8 1 1 A 77 77 ILE C C 77 174.900 174.851 0.049 1
1 812 . 8 1 1 A 77 77 ILE CA C 77 59.850 61.065 -1.215 1
1 813 . 8 1 1 A 77 77 ILE CB C 77 39.200 39.767 -0.567 1
1 817 . 8 1 1 A 77 77 ILE N N 77 118.310 119.564 -1.254 1
1 818 . 8 1 1 A 78 78 ASP H H 78 7.580 7.668 -0.088 1
1 819 . 8 1 1 A 78 78 ASP HA H 78 4.670 5.011 -0.341 1
1 822 . 8 1 1 A 78 78 ASP C C 78 177.300 176.924 0.376 1
1 823 . 8 1 1 A 78 78 ASP CA C 78 52.500 52.956 -0.456 1
1 824 . 8 1 1 A 78 78 ASP CB C 78 42.100 43.157 -1.057 1
1 825 . 8 1 1 A 78 78 ASP N N 78 118.160 122.098 -3.938 1
1 826 . 8 1 1 A 79 79 LYS H H 79 8.380 8.763 -0.383 1
1 827 . 8 1 1 A 79 79 LYS HA H 79 4.200 4.077 0.123 1
1 832 . 8 1 1 A 79 79 LYS C C 79 177.200 177.791 -0.591 1
1 833 . 8 1 1 A 79 79 LYS CA C 79 57.620 59.105 -1.485 1
1 834 . 8 1 1 A 79 79 LYS CB C 79 31.940 31.854 0.086 1
1 838 . 8 1 1 A 79 79 LYS N N 79 117.260 122.402 -5.142 1
1 839 . 8 1 1 A 80 80 LYS H H 80 7.900 7.799 0.101 1
1 840 . 8 1 1 A 80 80 LYS HA H 80 4.350 4.234 0.116 1
1 845 . 8 1 1 A 80 80 LYS C C 80 176.800 177.310 -0.510 1
1 846 . 8 1 1 A 80 80 LYS CA C 80 56.070 55.788 0.282 1
1 847 . 8 1 1 A 80 80 LYS CB C 80 32.430 31.924 0.506 1
1 851 . 8 1 1 A 80 80 LYS N N 80 118.240 115.432 2.808 1
1 852 . 8 1 1 A 81 81 GLY H H 81 7.850 8.617 -0.767 1
1 853 . 8 1 1 A 81 81 GLY HA2 H 81 4.170 3.937 0.233 1
1 854 . 8 1 1 A 81 81 GLY HA3 H 81 3.520 3.940 -0.420 1
1 855 . 8 1 1 A 81 81 GLY C C 81 173.700 174.650 -0.950 1
1 856 . 8 1 1 A 81 81 GLY CA C 81 45.340 46.591 -1.251 1
1 857 . 8 1 1 A 81 81 GLY N N 81 107.740 109.950 -2.210 1
1 858 . 8 1 1 A 82 82 THR H H 82 8.760 8.087 0.673 1
1 859 . 8 1 1 A 82 82 THR HA H 82 4.060 4.228 -0.168 1
1 864 . 8 1 1 A 82 82 THR CA C 82 61.340 59.871 1.469 1
1 865 . 8 1 1 A 82 82 THR CB C 82 68.440 69.255 -0.815 1
1 867 . 8 1 1 A 82 82 THR N N 82 122.360 115.415 6.945 1
1 868 . 8 1 1 A 83 83 PRO HA H 83 4.760 4.289 0.471 1
1 874 . 8 1 1 A 83 83 PRO C C 83 177.100 175.903 1.197 1
1 875 . 8 1 1 A 83 83 PRO CA C 83 61.750 63.562 -1.812 1
1 876 . 8 1 1 A 83 83 PRO CB C 83 33.000 31.613 1.387 1
1 879 . 8 1 1 A 84 84 GLY H H 84 8.870 7.800 1.070 1
1 880 . 8 1 1 A 84 84 GLY HA2 H 84 4.140 4.138 0.002 1
1 881 . 8 1 1 A 84 84 GLY C C 84 171.400 171.907 -0.507 1
1 882 . 8 1 1 A 84 84 GLY CA C 84 46.360 45.311 1.049 1
1 883 . 8 1 1 A 84 84 GLY N N 84 104.120 108.573 -4.453 1
1 884 . 8 1 1 A 85 85 ILE H H 85 8.920 8.589 0.331 1
1 885 . 8 1 1 A 85 85 ILE HA H 85 4.570 4.901 -0.331 1
1 895 . 8 1 1 A 85 85 ILE C C 85 175.100 176.095 -0.995 1
1 896 . 8 1 1 A 85 85 ILE CA C 85 61.110 58.757 2.353 1
1 897 . 8 1 1 A 85 85 ILE CB C 85 40.020 41.282 -1.262 1
1 901 . 8 1 1 A 85 85 ILE N N 85 112.690 116.699 -4.009 1
1 902 . 8 1 1 A 86 86 GLY H H 86 8.980 8.725 0.255 1
1 903 . 8 1 1 A 86 86 GLY HA2 H 86 3.770 3.860 -0.090 1
1 904 . 8 1 1 A 86 86 GLY HA3 H 86 4.160 3.866 0.294 1
1 905 . 8 1 1 A 86 86 GLY C C 86 173.300 174.227 -0.927 1
1 906 . 8 1 1 A 86 86 GLY CA C 86 45.960 46.565 -0.605 1
1 907 . 8 1 1 A 86 86 GLY N N 86 112.050 109.453 2.597 1
1 908 . 8 1 1 A 87 87 ILE H H 87 7.290 7.614 -0.324 1
1 909 . 8 1 1 A 87 87 ILE HA H 87 5.170 5.071 0.099 1
1 918 . 8 1 1 A 87 87 ILE C C 87 174.800 174.910 -0.110 1
1 919 . 8 1 1 A 87 87 ILE CA C 87 58.850 58.668 0.182 1
1 920 . 8 1 1 A 87 87 ILE CB C 87 41.480 41.214 0.266 1
1 924 . 8 1 1 A 87 87 ILE N N 87 110.880 116.823 -5.943 1
1 925 . 8 1 1 A 88 88 THR H H 88 8.350 8.601 -0.251 1
1 926 . 8 1 1 A 88 88 THR HA H 88 4.580 5.049 -0.469 1
1 931 . 8 1 1 A 88 88 THR C C 88 173.700 173.232 0.468 1
1 932 . 8 1 1 A 88 88 THR CA C 88 61.410 61.896 -0.486 1
1 933 . 8 1 1 A 88 88 THR CB C 88 70.570 71.496 -0.926 1
1 935 . 8 1 1 A 88 88 THR N N 88 116.050 116.013 0.037 1
1 936 . 8 1 1 A 89 89 LEU H H 89 8.950 9.190 -0.240 1
1 937 . 8 1 1 A 89 89 LEU HA H 89 5.210 5.102 0.108 1
1 944 . 8 1 1 A 89 89 LEU C C 89 176.000 176.446 -0.446 1
1 945 . 8 1 1 A 89 89 LEU CA C 89 53.600 53.362 0.238 1
1 946 . 8 1 1 A 89 89 LEU CB C 89 44.840 44.241 0.599 1
1 949 . 8 1 1 A 89 89 LEU N N 89 126.710 126.956 -0.246 1
1 950 . 8 1 1 A 90 90 VAL H H 90 8.820 8.257 0.563 1
1 951 . 8 1 1 A 90 90 VAL HA H 90 4.320 4.450 -0.130 1
1 956 . 8 1 1 A 90 90 VAL C C 90 174.600 175.509 -0.909 1
1 957 . 8 1 1 A 90 90 VAL CA C 90 61.300 60.605 0.695 1
1 958 . 8 1 1 A 90 90 VAL CB C 90 34.850 33.847 1.003 1
1 961 . 8 1 1 A 90 90 VAL N N 90 117.740 120.967 -3.227 1
1 962 . 8 1 1 A 91 91 ASP H H 91 8.510 8.922 -0.412 1
1 963 . 8 1 1 A 91 91 ASP HA H 91 4.890 4.638 0.252 1
1 965 . 8 1 1 A 91 91 ASP C C 91 176.000 175.280 0.720 1
1 966 . 8 1 1 A 91 91 ASP CA C 91 54.920 55.718 -0.798 1
1 967 . 8 1 1 A 91 91 ASP CB C 91 41.590 40.504 1.086 1
1 968 . 8 1 1 A 91 91 ASP N N 91 123.890 121.365 2.525 1
1 969 . 8 1 1 A 92 92 ASP H H 92 8.390 8.093 0.297 1
1 970 . 8 1 1 A 92 92 ASP HA H 92 4.730 4.718 0.012 1
1 972 . 8 1 1 A 92 92 ASP C C 92 175.800 176.512 -0.712 1
1 973 . 8 1 1 A 92 92 ASP CA C 92 53.890 53.560 0.330 1
1 974 . 8 1 1 A 92 92 ASP CB C 92 41.650 42.174 -0.524 1
1 975 . 8 1 1 A 92 92 ASP N N 92 119.860 120.703 -0.843 1
1 976 . 8 1 1 A 93 93 LEU H H 93 8.180 8.699 -0.519 1
1 977 . 8 1 1 A 93 93 LEU HA H 93 4.130 3.954 0.176 1
1 983 . 8 1 1 A 93 93 LEU C C 93 177.700 177.805 -0.105 1
1 984 . 8 1 1 A 93 93 LEU CA C 93 55.920 57.828 -1.908 1
1 985 . 8 1 1 A 93 93 LEU CB C 93 42.120 41.688 0.432 1
1 989 . 8 1 1 A 93 93 LEU N N 93 122.430 120.665 1.765 1
1 990 . 8 1 1 A 94 94 GLU H H 94 8.240 7.637 0.603 1
1 991 . 8 1 1 A 94 94 GLU HA H 94 4.070 4.277 -0.207 1
1 995 . 8 1 1 A 94 94 GLU C C 94 176.500 176.954 -0.454 1
1 996 . 8 1 1 A 94 94 GLU CA C 94 56.790 56.293 0.497 1
1 997 . 8 1 1 A 94 94 GLU CB C 94 29.440 29.731 -0.291 1
1 999 . 8 1 1 A 94 94 GLU N N 94 118.890 117.777 1.113 1
1 1000 . 8 1 1 A 95 95 HIS H H 95 8.250 7.884 0.366 1
1 1001 . 8 1 1 A 95 95 HIS CA C 95 55.680 56.063 -0.383 1
1 1002 . 8 1 1 A 95 95 HIS CB C 95 28.300 30.053 -1.753 1
1 1003 . 8 1 1 A 95 95 HIS N N 95 117.130 121.481 -4.351 1
1 1004 . 8 1 1 A 96 96 HIS H H 96 8.440 7.047 1.393 1
1 1005 . 8 1 1 A 96 96 HIS CA C 96 55.550 55.825 -0.275 1
1 1006 . 8 1 1 A 96 96 HIS CB C 96 28.830 30.892 -2.062 1
1 5 . 9 1 1 A 2 2 VAL HA H 2 3.810 4.404 -0.594 1
1 10 . 9 1 1 A 2 2 VAL C C 2 171.900 176.639 -4.739 1
1 11 . 9 1 1 A 2 2 VAL CA C 2 61.200 62.755 -1.555 1
1 12 . 9 1 1 A 2 2 VAL CB C 2 32.900 35.104 -2.204 1
1 14 . 9 1 1 A 3 3 LYS H H 3 8.620 7.786 0.834 1
1 15 . 9 1 1 A 3 3 LYS HA H 3 4.400 4.261 0.139 1
1 19 . 9 1 1 A 3 3 LYS C C 3 175.800 175.596 0.204 1
1 20 . 9 1 1 A 3 3 LYS CA C 3 56.240 56.197 0.043 1
1 21 . 9 1 1 A 3 3 LYS CB C 3 33.190 32.470 0.720 1
1 25 . 9 1 1 A 3 3 LYS N N 3 126.140 120.293 5.847 1
1 26 . 9 1 1 A 4 4 VAL H H 4 8.350 8.027 0.323 1
1 30 . 9 1 1 A 4 4 VAL C C 4 175.600 175.797 -0.197 1
1 31 . 9 1 1 A 4 4 VAL CA C 4 62.200 62.480 -0.280 1
1 32 . 9 1 1 A 4 4 VAL CB C 4 33.060 30.040 3.020 1
1 34 . 9 1 1 A 4 4 VAL N N 4 123.850 116.265 7.585 1
1 35 . 9 1 1 A 5 5 THR H H 5 8.100 7.794 0.306 1
1 36 . 9 1 1 A 5 5 THR HA H 5 4.060 3.733 0.327 1
1 41 . 9 1 1 A 5 5 THR C C 5 173.400 174.546 -1.146 1
1 42 . 9 1 1 A 5 5 THR CA C 5 61.220 66.461 -5.241 1
1 43 . 9 1 1 A 5 5 THR CB C 5 70.100 68.540 1.560 1
1 45 . 9 1 1 A 5 5 THR N N 5 118.630 118.971 -0.341 1
1 46 . 9 1 1 A 6 6 TYR H H 6 8.300 7.924 0.376 1
1 51 . 9 1 1 A 6 6 TYR C C 6 175.400 175.403 -0.003 1
1 52 . 9 1 1 A 6 6 TYR CA C 6 57.480 58.881 -1.401 1
1 53 . 9 1 1 A 6 6 TYR CB C 6 39.400 39.837 -0.437 1
1 56 . 9 1 1 A 6 6 TYR N N 6 123.230 116.417 6.813 1
1 57 . 9 1 1 A 7 7 ASP H H 7 8.560 7.997 0.563 1
1 58 . 9 1 1 A 7 7 ASP HA H 7 4.670 4.760 -0.090 1
1 60 . 9 1 1 A 7 7 ASP C C 7 175.100 174.131 0.969 1
1 61 . 9 1 1 A 7 7 ASP CA C 7 54.400 53.761 0.639 1
1 62 . 9 1 1 A 7 7 ASP CB C 7 41.250 40.777 0.473 1
1 63 . 9 1 1 A 7 7 ASP N N 7 122.230 114.238 7.992 1
1 64 . 9 1 1 A 8 8 GLY H H 8 7.610 7.741 -0.131 1
1 65 . 9 1 1 A 8 8 GLY HA2 H 8 3.930 4.107 -0.177 1
1 66 . 9 1 1 A 8 8 GLY HA3 H 8 4.140 4.140 0.000 1
1 67 . 9 1 1 A 8 8 GLY C C 8 171.900 171.974 -0.074 1
1 68 . 9 1 1 A 8 8 GLY CA C 8 44.940 46.159 -1.219 1
1 69 . 9 1 1 A 8 8 GLY N N 8 106.550 107.874 -1.324 1
1 70 . 9 1 1 A 9 9 VAL H H 9 8.050 8.603 -0.553 1
1 71 . 9 1 1 A 9 9 VAL HA H 9 4.520 4.998 -0.478 1
1 79 . 9 1 1 A 9 9 VAL C C 9 173.700 174.465 -0.765 1
1 80 . 9 1 1 A 9 9 VAL CA C 9 59.940 60.106 -0.166 1
1 81 . 9 1 1 A 9 9 VAL CB C 9 33.470 34.008 -0.538 1
1 84 . 9 1 1 A 9 9 VAL N N 9 115.200 116.888 -1.688 1
1 85 . 9 1 1 A 10 10 TYR H H 10 8.720 9.363 -0.643 1
1 89 . 9 1 1 A 10 10 TYR C C 10 175.700 175.541 0.159 1
1 90 . 9 1 1 A 10 10 TYR CA C 10 57.730 57.636 0.094 1
1 91 . 9 1 1 A 10 10 TYR CB C 10 41.210 39.855 1.355 1
1 94 . 9 1 1 A 10 10 TYR N N 10 122.700 125.270 -2.570 1
1 95 . 9 1 1 A 11 11 VAL H H 11 8.810 8.807 0.003 1
1 96 . 9 1 1 A 11 11 VAL HA H 11 3.880 4.170 -0.290 1
1 104 . 9 1 1 A 11 11 VAL C C 11 175.700 175.724 -0.024 1
1 105 . 9 1 1 A 11 11 VAL CA C 11 62.810 63.607 -0.797 1
1 106 . 9 1 1 A 11 11 VAL CB C 11 31.920 31.760 0.160 1
1 109 . 9 1 1 A 11 11 VAL N N 11 121.170 124.969 -3.799 1
1 110 . 9 1 1 A 12 12 LEU H H 12 9.390 8.565 0.825 1
1 111 . 9 1 1 A 12 12 LEU HA H 12 4.350 4.437 -0.087 1
1 120 . 9 1 1 A 12 12 LEU CA C 12 56.560 56.469 0.091 1
1 121 . 9 1 1 A 12 12 LEU CB C 12 43.120 43.023 0.097 1
1 125 . 9 1 1 A 12 12 LEU N N 12 133.040 130.362 2.678 1
1 126 . 9 1 1 A 13 13 SER H H 13 7.490 7.670 -0.180 1
1 127 . 9 1 1 A 13 13 SER HA H 13 3.700 4.740 -1.040 1
1 129 . 9 1 1 A 13 13 SER C C 13 171.100 171.923 -0.823 1
1 130 . 9 1 1 A 13 13 SER CA C 13 56.890 57.465 -0.575 1
1 131 . 9 1 1 A 13 13 SER CB C 13 65.220 65.215 0.005 1
1 132 . 9 1 1 A 13 13 SER N N 13 109.070 112.447 -3.377 1
1 133 . 9 1 1 A 14 14 VAL H H 14 8.380 8.644 -0.264 1
1 134 . 9 1 1 A 14 14 VAL HA H 14 4.360 4.598 -0.238 1
1 142 . 9 1 1 A 14 14 VAL C C 14 175.500 174.905 0.595 1
1 143 . 9 1 1 A 14 14 VAL CA C 14 61.270 61.201 0.069 1
1 144 . 9 1 1 A 14 14 VAL CB C 14 34.620 32.807 1.813 1
1 147 . 9 1 1 A 14 14 VAL N N 14 121.190 123.680 -2.490 1
1 148 . 9 1 1 A 15 15 LYS H H 15 7.920 8.703 -0.783 1
1 149 . 9 1 1 A 15 15 LYS HA H 15 4.180 4.636 -0.456 1
1 154 . 9 1 1 A 15 15 LYS C C 15 175.600 176.348 -0.748 1
1 155 . 9 1 1 A 15 15 LYS CA C 15 57.150 55.276 1.874 1
1 156 . 9 1 1 A 15 15 LYS CB C 15 33.730 31.980 1.750 1
1 160 . 9 1 1 A 15 15 LYS N N 15 126.860 127.827 -0.967 1
1 161 . 9 1 1 A 16 16 GLU H H 16 8.200 8.379 -0.179 1
1 162 . 9 1 1 A 16 16 GLU HA H 16 4.240 4.252 -0.012 1
1 165 . 9 1 1 A 16 16 GLU C C 16 177.000 176.049 0.951 1
1 166 . 9 1 1 A 16 16 GLU CA C 16 56.720 56.242 0.478 1
1 167 . 9 1 1 A 16 16 GLU CB C 16 30.090 30.414 -0.324 1
1 169 . 9 1 1 A 16 16 GLU N N 16 117.010 125.257 -8.247 1
1 170 . 9 1 1 A 17 17 ASP H H 17 8.910 9.002 -0.092 1
1 171 . 9 1 1 A 17 17 ASP HA H 17 4.420 4.234 0.186 1
1 173 . 9 1 1 A 17 17 ASP C C 17 174.500 174.790 -0.290 1
1 174 . 9 1 1 A 17 17 ASP CA C 17 54.540 55.366 -0.826 1
1 175 . 9 1 1 A 17 17 ASP CB C 17 38.700 40.237 -1.537 1
1 176 . 9 1 1 A 17 17 ASP N N 17 116.410 120.433 -4.023 1
1 177 . 9 1 1 A 18 18 VAL H H 18 6.670 7.564 -0.894 1
1 178 . 9 1 1 A 18 18 VAL HA H 18 4.840 4.840 0.000 1
1 183 . 9 1 1 A 18 18 VAL CA C 18 58.350 58.169 0.181 1
1 184 . 9 1 1 A 18 18 VAL CB C 18 32.330 33.967 -1.637 1
1 186 . 9 1 1 A 18 18 VAL N N 18 108.460 113.699 -5.239 1
1 187 . 9 1 1 A 19 19 PRO HA H 19 4.260 4.243 0.017 1
1 193 . 9 1 1 A 19 19 PRO C C 19 177.600 177.410 0.190 1
1 194 . 9 1 1 A 19 19 PRO CA C 19 65.900 65.733 0.167 1
1 195 . 9 1 1 A 19 19 PRO CB C 19 33.200 31.706 1.494 1
1 198 . 9 1 1 A 20 20 ALA H H 20 8.270 8.117 0.153 1
1 199 . 9 1 1 A 20 20 ALA HA H 20 3.930 4.141 -0.211 1
1 203 . 9 1 1 A 20 20 ALA C C 20 177.100 178.024 -0.924 1
1 204 . 9 1 1 A 20 20 ALA CA C 20 53.150 54.106 -0.956 1
1 205 . 9 1 1 A 20 20 ALA CB C 20 19.850 18.436 1.414 1
1 206 . 9 1 1 A 20 20 ALA N N 20 112.780 118.848 -6.068 1
1 207 . 9 1 1 A 21 21 ALA H H 21 7.880 7.998 -0.118 1
1 208 . 9 1 1 A 21 21 ALA HA H 21 4.040 4.062 -0.022 1
1 212 . 9 1 1 A 21 21 ALA C C 21 178.500 178.364 0.136 1
1 213 . 9 1 1 A 21 21 ALA CA C 21 54.210 53.965 0.245 1
1 214 . 9 1 1 A 21 21 ALA CB C 21 18.010 18.286 -0.276 1
1 215 . 9 1 1 A 21 21 ALA N N 21 122.260 121.345 0.915 1
1 216 . 9 1 1 A 22 22 GLY H H 22 8.970 8.782 0.188 1
1 217 . 9 1 1 A 22 22 GLY HA2 H 22 4.120 3.972 0.148 1
1 218 . 9 1 1 A 22 22 GLY HA3 H 22 3.670 3.972 -0.302 1
1 219 . 9 1 1 A 22 22 GLY C C 22 173.300 173.977 -0.677 1
1 220 . 9 1 1 A 22 22 GLY CA C 22 45.210 45.378 -0.168 1
1 221 . 9 1 1 A 22 22 GLY N N 22 110.560 111.599 -1.039 1
1 222 . 9 1 1 A 23 23 ILE H H 23 7.700 7.966 -0.266 1
1 223 . 9 1 1 A 23 23 ILE HA H 23 3.950 4.279 -0.329 1
1 233 . 9 1 1 A 23 23 ILE C C 23 175.300 175.514 -0.214 1
1 234 . 9 1 1 A 23 23 ILE CA C 23 62.530 62.632 -0.102 1
1 235 . 9 1 1 A 23 23 ILE CB C 23 40.040 40.474 -0.434 1
1 239 . 9 1 1 A 23 23 ILE N N 23 120.200 117.998 2.202 1
1 240 . 9 1 1 A 24 24 LEU H H 24 7.480 7.363 0.117 1
1 241 . 9 1 1 A 24 24 LEU HA H 24 4.250 4.554 -0.304 1
1 248 . 9 1 1 A 24 24 LEU C C 24 174.000 175.445 -1.445 1
1 249 . 9 1 1 A 24 24 LEU CA C 24 52.990 53.170 -0.180 1
1 250 . 9 1 1 A 24 24 LEU CB C 24 44.740 45.074 -0.334 1
1 253 . 9 1 1 A 24 24 LEU N N 24 116.660 118.616 -1.956 1
1 254 . 9 1 1 A 25 25 HIS H H 25 8.280 8.296 -0.016 1
1 255 . 9 1 1 A 25 25 HIS HA H 25 4.570 5.193 -0.623 1
1 259 . 9 1 1 A 25 25 HIS C C 25 173.400 172.972 0.428 1
1 260 . 9 1 1 A 25 25 HIS CA C 25 54.370 53.696 0.674 1
1 261 . 9 1 1 A 25 25 HIS CB C 25 32.150 32.519 -0.369 1
1 263 . 9 1 1 A 25 25 HIS N N 25 115.300 117.468 -2.168 1
1 264 . 9 1 1 A 26 26 ALA H H 26 8.900 8.613 0.287 1
1 265 . 9 1 1 A 26 26 ALA HA H 26 3.730 3.842 -0.112 1
1 269 . 9 1 1 A 26 26 ALA C C 26 178.500 178.288 0.212 1
1 270 . 9 1 1 A 26 26 ALA CA C 26 53.740 53.709 0.031 1
1 271 . 9 1 1 A 26 26 ALA CB C 26 18.400 18.649 -0.249 1
1 272 . 9 1 1 A 26 26 ALA N N 26 124.340 123.785 0.555 1
1 273 . 9 1 1 A 27 27 GLY H H 27 9.430 8.838 0.592 1
1 274 . 9 1 1 A 27 27 GLY HA2 H 27 4.500 3.980 0.520 1
1 275 . 9 1 1 A 27 27 GLY HA3 H 27 3.620 4.037 -0.417 1
1 276 . 9 1 1 A 27 27 GLY C C 27 174.500 173.818 0.682 1
1 277 . 9 1 1 A 27 27 GLY CA C 27 44.900 45.089 -0.189 1
1 278 . 9 1 1 A 27 27 GLY N N 27 113.020 110.256 2.764 1
1 279 . 9 1 1 A 28 28 ASP H H 28 8.150 7.738 0.412 1
1 280 . 9 1 1 A 28 28 ASP HA H 28 5.000 4.601 0.399 1
1 282 . 9 1 1 A 28 28 ASP C C 28 173.800 175.490 -1.690 1
1 283 . 9 1 1 A 28 28 ASP CA C 28 55.510 53.770 1.740 1
1 284 . 9 1 1 A 28 28 ASP CB C 28 41.190 40.895 0.295 1
1 285 . 9 1 1 A 28 28 ASP N N 28 121.760 121.772 -0.012 1
1 286 . 9 1 1 A 29 29 LEU H H 29 8.000 8.941 -0.941 1
1 287 . 9 1 1 A 29 29 LEU HA H 29 4.640 5.019 -0.379 1
1 294 . 9 1 1 A 29 29 LEU C C 29 176.300 175.758 0.542 1
1 295 . 9 1 1 A 29 29 LEU CA C 29 53.120 53.362 -0.242 1
1 296 . 9 1 1 A 29 29 LEU CB C 29 45.320 42.862 2.458 1
1 299 . 9 1 1 A 29 29 LEU N N 29 122.000 126.270 -4.270 1
1 300 . 9 1 1 A 30 30 ILE H H 30 9.210 8.736 0.474 1
1 301 . 9 1 1 A 30 30 ILE HA H 30 4.360 4.238 0.122 1
1 310 . 9 1 1 A 30 30 ILE C C 30 175.800 177.094 -1.294 1
1 311 . 9 1 1 A 30 30 ILE CA C 30 61.200 61.546 -0.346 1
1 312 . 9 1 1 A 30 30 ILE CB C 30 38.080 37.281 0.799 1
1 316 . 9 1 1 A 30 30 ILE N N 30 126.210 124.717 1.493 1
1 317 . 9 1 1 A 31 31 THR H H 31 8.790 9.045 -0.255 1
1 318 . 9 1 1 A 31 31 THR HA H 31 4.230 4.518 -0.288 1
1 323 . 9 1 1 A 31 31 THR C C 31 175.900 174.760 1.140 1
1 324 . 9 1 1 A 31 31 THR CA C 31 62.260 62.352 -0.092 1
1 325 . 9 1 1 A 31 31 THR CB C 31 69.320 69.392 -0.072 1
1 327 . 9 1 1 A 31 31 THR N N 31 117.100 120.058 -2.958 1
1 328 . 9 1 1 A 32 32 GLU H H 32 7.790 7.675 0.115 1
1 329 . 9 1 1 A 32 32 GLU HA H 32 5.080 4.861 0.219 1
1 333 . 9 1 1 A 32 32 GLU C C 32 174.700 173.960 0.740 1
1 334 . 9 1 1 A 32 32 GLU CA C 32 55.870 55.995 -0.125 1
1 335 . 9 1 1 A 32 32 GLU CB C 32 35.300 33.409 1.891 1
1 337 . 9 1 1 A 32 32 GLU N N 32 120.420 119.877 0.543 1
1 338 . 9 1 1 A 33 33 ILE H H 33 8.770 8.866 -0.096 1
1 339 . 9 1 1 A 33 33 ILE HA H 33 5.220 4.600 0.620 1
1 348 . 9 1 1 A 33 33 ILE C C 33 174.200 174.904 -0.704 1
1 349 . 9 1 1 A 33 33 ILE CA C 33 59.380 59.755 -0.375 1
1 350 . 9 1 1 A 33 33 ILE CB C 33 41.120 40.743 0.377 1
1 354 . 9 1 1 A 33 33 ILE N N 33 119.470 124.362 -4.892 1
1 355 . 9 1 1 A 34 34 ASP H H 34 10.100 9.705 0.395 1
1 356 . 9 1 1 A 34 34 ASP HA H 34 4.430 4.265 0.165 1
1 359 . 9 1 1 A 34 34 ASP C C 34 176.200 175.402 0.798 1
1 360 . 9 1 1 A 34 34 ASP CA C 34 55.530 55.067 0.463 1
1 361 . 9 1 1 A 34 34 ASP CB C 34 39.000 39.651 -0.651 1
1 362 . 9 1 1 A 34 34 ASP N N 34 128.840 129.240 -0.400 1
1 363 . 9 1 1 A 35 35 GLY H H 35 8.860 8.559 0.301 1
1 364 . 9 1 1 A 35 35 GLY HA2 H 35 3.630 3.822 -0.192 1
1 365 . 9 1 1 A 35 35 GLY HA3 H 35 3.970 3.822 0.148 1
1 366 . 9 1 1 A 35 35 GLY C C 35 173.900 173.924 -0.024 1
1 367 . 9 1 1 A 35 35 GLY CA C 35 45.580 45.457 0.123 1
1 368 . 9 1 1 A 35 35 GLY N N 35 103.110 104.302 -1.192 1
1 369 . 9 1 1 A 36 36 GLN H H 36 8.070 8.448 -0.378 1
1 370 . 9 1 1 A 36 36 GLN HA H 36 4.240 4.389 -0.149 1
1 374 . 9 1 1 A 36 36 GLN C C 36 174.200 176.325 -2.125 1
1 375 . 9 1 1 A 36 36 GLN CA C 36 54.250 55.801 -1.551 1
1 376 . 9 1 1 A 36 36 GLN CB C 36 30.870 29.272 1.598 1
1 378 . 9 1 1 A 36 36 GLN N N 36 119.670 120.368 -0.698 1
1 379 . 9 1 1 A 37 37 SER H H 37 8.290 8.512 -0.222 1
1 380 . 9 1 1 A 37 37 SER HA H 37 3.750 4.434 -0.684 1
1 382 . 9 1 1 A 37 37 SER C C 37 173.500 174.017 -0.517 1
1 383 . 9 1 1 A 37 37 SER CA C 37 56.280 57.722 -1.442 1
1 384 . 9 1 1 A 37 37 SER CB C 37 63.630 63.415 0.215 1
1 385 . 9 1 1 A 37 37 SER N N 37 118.770 118.195 0.575 1
1 386 . 9 1 1 A 38 38 PHE H H 38 6.960 8.047 -1.087 1
1 387 . 9 1 1 A 38 38 PHE HA H 38 3.090 4.422 -1.332 1
1 391 . 9 1 1 A 38 38 PHE C C 38 175.600 174.813 0.787 1
1 392 . 9 1 1 A 38 38 PHE CA C 38 56.590 59.756 -3.166 1
1 393 . 9 1 1 A 38 38 PHE CB C 38 40.910 37.722 3.188 1
1 396 . 9 1 1 A 38 38 PHE N N 38 120.740 119.755 0.985 1
1 397 . 9 1 1 A 39 39 LYS H H 39 8.740 8.712 0.028 1
1 398 . 9 1 1 A 39 39 LYS HA H 39 4.160 4.594 -0.434 1
1 402 . 9 1 1 A 39 39 LYS C C 39 175.500 175.794 -0.294 1
1 403 . 9 1 1 A 39 39 LYS CA C 39 56.500 57.839 -1.339 1
1 404 . 9 1 1 A 39 39 LYS CB C 39 33.210 34.307 -1.097 1
1 408 . 9 1 1 A 39 39 LYS N N 39 118.100 122.342 -4.242 1
1 409 . 9 1 1 A 40 40 SER H H 40 7.480 7.623 -0.143 1
1 410 . 9 1 1 A 40 40 SER HA H 40 3.830 4.276 -0.446 1
1 412 . 9 1 1 A 40 40 SER C C 40 174.800 175.954 -1.154 1
1 413 . 9 1 1 A 40 40 SER CA C 40 56.380 58.712 -2.332 1
1 414 . 9 1 1 A 40 40 SER CB C 40 66.790 63.908 2.882 1
1 415 . 9 1 1 A 40 40 SER N N 40 111.180 114.309 -3.129 1
1 416 . 9 1 1 A 41 41 SER H H 41 10.310 8.966 1.344 1
1 417 . 9 1 1 A 41 41 SER HA H 41 3.780 4.119 -0.339 1
1 419 . 9 1 1 A 41 41 SER C C 41 176.300 176.773 -0.473 1
1 420 . 9 1 1 A 41 41 SER CA C 41 62.530 61.944 0.586 1
1 421 . 9 1 1 A 41 41 SER CB C 41 66.770 62.580 4.190 1
1 422 . 9 1 1 A 41 41 SER N N 41 121.470 117.935 3.535 1
1 423 . 9 1 1 A 42 42 GLN H H 42 8.510 8.201 0.309 1
1 424 . 9 1 1 A 42 42 GLN HA H 42 3.830 3.966 -0.136 1
1 426 . 9 1 1 A 42 42 GLN C C 42 177.300 178.700 -1.400 1
1 427 . 9 1 1 A 42 42 GLN CA C 42 58.480 59.197 -0.717 1
1 428 . 9 1 1 A 42 42 GLN CB C 42 28.450 28.069 0.381 1
1 430 . 9 1 1 A 42 42 GLN N N 42 121.500 121.270 0.230 1
1 431 . 9 1 1 A 43 43 GLU H H 43 7.470 7.691 -0.221 1
1 432 . 9 1 1 A 43 43 GLU HA H 43 3.840 4.028 -0.188 1
1 434 . 9 1 1 A 43 43 GLU C C 43 179.200 179.015 0.185 1
1 435 . 9 1 1 A 43 43 GLU CA C 43 59.110 59.105 0.005 1
1 436 . 9 1 1 A 43 43 GLU CB C 43 29.990 29.143 0.847 1
1 438 . 9 1 1 A 43 43 GLU N N 43 116.740 119.073 -2.333 1
1 439 . 9 1 1 A 44 44 PHE H H 44 7.320 8.311 -0.991 1
1 440 . 9 1 1 A 44 44 PHE HA H 44 3.630 4.204 -0.574 1
1 444 . 9 1 1 A 44 44 PHE C C 44 176.800 176.962 -0.162 1
1 445 . 9 1 1 A 44 44 PHE CA C 44 62.270 61.362 0.908 1
1 446 . 9 1 1 A 44 44 PHE CB C 44 39.920 39.109 0.811 1
1 449 . 9 1 1 A 44 44 PHE N N 44 118.660 120.654 -1.994 1
1 450 . 9 1 1 A 45 45 ILE H H 45 8.120 9.101 -0.981 1
1 451 . 9 1 1 A 45 45 ILE HA H 45 3.390 3.652 -0.262 1
1 461 . 9 1 1 A 45 45 ILE C C 45 177.600 177.943 -0.343 1
1 462 . 9 1 1 A 45 45 ILE CA C 45 64.000 64.943 -0.943 1
1 463 . 9 1 1 A 45 45 ILE CB C 45 37.440 37.385 0.055 1
1 467 . 9 1 1 A 45 45 ILE N N 45 119.470 120.249 -0.779 1
1 468 . 9 1 1 A 46 46 ASP H H 46 8.590 7.847 0.743 1
1 469 . 9 1 1 A 46 46 ASP HA H 46 4.180 4.343 -0.163 1
1 471 . 9 1 1 A 46 46 ASP C C 46 178.900 177.821 1.079 1
1 472 . 9 1 1 A 46 46 ASP CA C 46 57.000 57.130 -0.130 1
1 473 . 9 1 1 A 46 46 ASP CB C 46 39.350 40.524 -1.174 1
1 474 . 9 1 1 A 46 46 ASP N N 46 119.870 122.008 -2.138 1
1 475 . 9 1 1 A 47 47 TYR H H 47 7.530 7.899 -0.369 1
1 476 . 9 1 1 A 47 47 TYR HA H 47 4.090 4.079 0.011 1
1 480 . 9 1 1 A 47 47 TYR C C 47 179.500 176.886 2.614 1
1 481 . 9 1 1 A 47 47 TYR CA C 47 61.960 61.216 0.744 1
1 482 . 9 1 1 A 47 47 TYR CB C 47 38.350 38.328 0.022 1
1 485 . 9 1 1 A 47 47 TYR N N 47 120.170 120.916 -0.746 1
1 486 . 9 1 1 A 48 48 ILE H H 48 8.020 7.618 0.402 1
1 487 . 9 1 1 A 48 48 ILE HA H 48 3.200 2.740 0.460 1
1 497 . 9 1 1 A 48 48 ILE C C 48 177.000 177.637 -0.637 1
1 498 . 9 1 1 A 48 48 ILE CA C 48 65.450 64.882 0.568 1
1 499 . 9 1 1 A 48 48 ILE CB C 48 36.770 37.444 -0.674 1
1 503 . 9 1 1 A 48 48 ILE N N 48 122.120 119.989 2.131 1
1 504 . 9 1 1 A 49 49 HIS H H 49 8.250 6.842 1.408 1
1 505 . 9 1 1 A 49 49 HIS HA H 49 4.490 4.302 0.188 1
1 507 . 9 1 1 A 49 49 HIS C C 49 174.300 177.166 -2.866 1
1 508 . 9 1 1 A 49 49 HIS CA C 49 55.550 59.072 -3.522 1
1 509 . 9 1 1 A 49 49 HIS CB C 49 28.650 29.359 -0.709 1
1 510 . 9 1 1 A 49 49 HIS N N 49 112.280 118.205 -5.925 1
1 511 . 9 1 1 A 50 50 SER H H 50 7.700 7.374 0.326 1
1 512 . 9 1 1 A 50 50 SER HA H 50 3.970 4.166 -0.196 1
1 514 . 9 1 1 A 50 50 SER C C 50 174.300 174.609 -0.309 1
1 515 . 9 1 1 A 50 50 SER CA C 50 59.300 60.976 -1.676 1
1 516 . 9 1 1 A 50 50 SER CB C 50 63.840 63.064 0.776 1
1 517 . 9 1 1 A 50 50 SER N N 50 115.110 114.751 0.359 1
1 518 . 9 1 1 A 51 51 LYS H H 51 7.060 7.089 -0.029 1
1 519 . 9 1 1 A 51 51 LYS HA H 51 4.320 4.643 -0.323 1
1 527 . 9 1 1 A 51 51 LYS C C 51 173.100 175.211 -2.111 1
1 528 . 9 1 1 A 51 51 LYS CA C 51 53.730 54.584 -0.854 1
1 529 . 9 1 1 A 51 51 LYS CB C 51 31.350 34.282 -2.932 1
1 533 . 9 1 1 A 51 51 LYS N N 51 123.340 120.755 2.585 1
1 534 . 9 1 1 A 52 52 LYS H H 52 8.250 8.913 -0.663 1
1 535 . 9 1 1 A 52 52 LYS HA H 52 4.610 4.944 -0.334 1
1 540 . 9 1 1 A 52 52 LYS C C 52 177.000 175.249 1.751 1
1 541 . 9 1 1 A 52 52 LYS CA C 52 54.060 54.538 -0.478 1
1 542 . 9 1 1 A 52 52 LYS CB C 52 34.900 36.100 -1.200 1
1 546 . 9 1 1 A 52 52 LYS N N 52 115.990 122.254 -6.264 1
1 547 . 9 1 1 A 53 53 VAL H H 53 8.520 8.552 -0.032 1
1 548 . 9 1 1 A 53 53 VAL HA H 53 3.050 3.604 -0.554 1
1 556 . 9 1 1 A 53 53 VAL C C 53 177.200 177.099 0.101 1
1 557 . 9 1 1 A 53 53 VAL CA C 53 66.270 65.506 0.764 1
1 558 . 9 1 1 A 53 53 VAL CB C 53 31.290 31.386 -0.096 1
1 561 . 9 1 1 A 53 53 VAL N N 53 120.780 124.503 -3.723 1
1 562 . 9 1 1 A 54 54 GLY H H 54 8.310 8.900 -0.590 1
1 563 . 9 1 1 A 54 54 GLY HA2 H 54 3.520 4.005 -0.485 1
1 564 . 9 1 1 A 54 54 GLY HA3 H 54 4.520 4.006 0.514 1
1 565 . 9 1 1 A 54 54 GLY C C 54 174.500 174.700 -0.200 1
1 566 . 9 1 1 A 54 54 GLY CA C 54 45.010 44.919 0.091 1
1 567 . 9 1 1 A 54 54 GLY N N 54 116.140 115.443 0.697 1
1 568 . 9 1 1 A 55 55 ASP H H 55 8.110 7.622 0.488 1
1 569 . 9 1 1 A 55 55 ASP HA H 55 4.710 4.825 -0.115 1
1 572 . 9 1 1 A 55 55 ASP C C 55 175.000 174.730 0.270 1
1 573 . 9 1 1 A 55 55 ASP CA C 55 54.950 54.446 0.504 1
1 574 . 9 1 1 A 55 55 ASP CB C 55 41.300 42.839 -1.539 1
1 575 . 9 1 1 A 55 55 ASP N N 55 121.670 120.866 0.804 1
1 576 . 9 1 1 A 56 56 THR H H 56 8.670 8.647 0.023 1
1 577 . 9 1 1 A 56 56 THR HA H 56 3.920 4.944 -1.024 1
1 582 . 9 1 1 A 56 56 THR C C 56 175.200 172.342 2.858 1
1 583 . 9 1 1 A 56 56 THR CA C 56 62.350 60.727 1.623 1
1 584 . 9 1 1 A 56 56 THR CB C 56 70.380 71.646 -1.266 1
1 586 . 9 1 1 A 56 56 THR N N 56 115.670 114.556 1.114 1
1 587 . 9 1 1 A 57 57 VAL H H 57 8.990 8.842 0.148 1
1 588 . 9 1 1 A 57 57 VAL HA H 57 5.190 5.080 0.110 1
1 596 . 9 1 1 A 57 57 VAL C C 57 173.900 174.531 -0.631 1
1 597 . 9 1 1 A 57 57 VAL CA C 57 58.570 58.960 -0.390 1
1 598 . 9 1 1 A 57 57 VAL CB C 57 34.480 36.267 -1.787 1
1 601 . 9 1 1 A 57 57 VAL N N 57 119.230 121.190 -1.960 1
1 602 . 9 1 1 A 58 58 LYS H H 58 9.000 8.803 0.197 1
1 603 . 9 1 1 A 58 58 LYS HA H 58 5.170 5.068 0.102 1
1 608 . 9 1 1 A 58 58 LYS C C 58 176.400 174.532 1.868 1
1 609 . 9 1 1 A 58 58 LYS CA C 58 54.990 55.034 -0.044 1
1 610 . 9 1 1 A 58 58 LYS CB C 58 33.510 34.893 -1.383 1
1 614 . 9 1 1 A 58 58 LYS N N 58 123.700 121.332 2.368 1
1 615 . 9 1 1 A 59 59 ILE H H 59 9.460 9.272 0.188 1
1 616 . 9 1 1 A 59 59 ILE HA H 59 5.100 5.003 0.097 1
1 626 . 9 1 1 A 59 59 ILE C C 59 175.100 174.509 0.591 1
1 627 . 9 1 1 A 59 59 ILE CA C 59 59.940 59.975 -0.035 1
1 628 . 9 1 1 A 59 59 ILE CB C 59 41.740 41.067 0.673 1
1 632 . 9 1 1 A 59 59 ILE N N 59 125.190 126.298 -1.108 1
1 633 . 9 1 1 A 60 60 LYS H H 60 8.780 8.587 0.193 1
1 634 . 9 1 1 A 60 60 LYS HA H 60 5.210 5.227 -0.017 1
1 639 . 9 1 1 A 60 60 LYS C C 60 175.000 174.678 0.322 1
1 640 . 9 1 1 A 60 60 LYS CA C 60 55.910 54.778 1.132 1
1 641 . 9 1 1 A 60 60 LYS CB C 60 34.340 35.555 -1.215 1
1 645 . 9 1 1 A 60 60 LYS N N 60 126.140 128.342 -2.202 1
1 646 . 9 1 1 A 61 61 TYR H H 61 8.660 8.058 0.602 1
1 647 . 9 1 1 A 61 61 TYR HA H 61 5.680 5.461 0.219 1
1 651 . 9 1 1 A 61 61 TYR CA C 61 55.090 55.595 -0.505 1
1 652 . 9 1 1 A 61 61 TYR CB C 61 41.640 42.029 -0.389 1
1 655 . 9 1 1 A 61 61 TYR N N 61 120.100 122.755 -2.655 1
1 656 . 9 1 1 A 62 62 LYS H H 62 9.590 8.552 1.038 1
1 657 . 9 1 1 A 62 62 LYS C C 62 172.100 174.478 -2.378 1
1 658 . 9 1 1 A 62 62 LYS CA C 62 54.820 55.081 -0.261 1
1 659 . 9 1 1 A 62 62 LYS CB C 62 35.540 34.829 0.711 1
1 660 . 9 1 1 A 62 62 LYS N N 62 120.730 121.255 -0.525 1
1 661 . 9 1 1 A 63 63 HIS H H 63 8.570 8.655 -0.085 1
1 662 . 9 1 1 A 63 63 HIS HA H 63 5.240 5.051 0.189 1
1 665 . 9 1 1 A 63 63 HIS C C 63 175.200 175.192 0.008 1
1 666 . 9 1 1 A 63 63 HIS CA C 63 54.100 55.303 -1.203 1
1 667 . 9 1 1 A 63 63 HIS CB C 63 30.300 32.118 -1.818 1
1 668 . 9 1 1 A 63 63 HIS N N 63 123.800 127.339 -3.539 1
1 669 . 9 1 1 A 64 64 GLY H H 64 9.080 8.882 0.198 1
1 670 . 9 1 1 A 64 64 GLY HA2 H 64 3.730 3.566 0.164 1
1 671 . 9 1 1 A 64 64 GLY C C 64 174.200 174.649 -0.449 1
1 672 . 9 1 1 A 64 64 GLY CA C 64 47.090 47.235 -0.145 1
1 673 . 9 1 1 A 64 64 GLY N N 64 119.110 116.116 2.994 1
1 674 . 9 1 1 A 65 65 ASN H H 65 8.770 8.621 0.149 1
1 675 . 9 1 1 A 65 65 ASN HA H 65 4.650 4.772 -0.122 1
1 677 . 9 1 1 A 65 65 ASN C C 65 174.600 174.543 0.057 1
1 678 . 9 1 1 A 65 65 ASN CA C 65 53.080 52.912 0.168 1
1 679 . 9 1 1 A 65 65 ASN CB C 65 38.700 39.263 -0.563 1
1 680 . 9 1 1 A 65 65 ASN N N 65 122.390 124.684 -2.294 1
1 681 . 9 1 1 A 66 66 LYS H H 66 7.830 7.416 0.414 1
1 682 . 9 1 1 A 66 66 LYS HA H 66 4.470 4.956 -0.486 1
1 686 . 9 1 1 A 66 66 LYS C C 66 174.900 175.730 -0.830 1
1 687 . 9 1 1 A 66 66 LYS CA C 66 55.490 54.814 0.676 1
1 688 . 9 1 1 A 66 66 LYS CB C 66 34.670 34.970 -0.300 1
1 692 . 9 1 1 A 66 66 LYS N N 66 120.640 116.651 3.989 1
1 693 . 9 1 1 A 67 67 ASN H H 67 8.570 9.133 -0.563 1
1 694 . 9 1 1 A 67 67 ASN HA H 67 4.860 5.545 -0.685 1
1 696 . 9 1 1 A 67 67 ASN C C 67 174.700 174.444 0.256 1
1 697 . 9 1 1 A 67 67 ASN CA C 67 53.680 51.837 1.843 1
1 698 . 9 1 1 A 67 67 ASN CB C 67 39.050 40.446 -1.396 1
1 699 . 9 1 1 A 67 67 ASN N N 67 123.400 121.517 1.883 1
1 700 . 9 1 1 A 68 68 GLU H H 68 8.970 7.993 0.977 1
1 701 . 9 1 1 A 68 68 GLU HA H 68 4.630 4.872 -0.242 1
1 704 . 9 1 1 A 68 68 GLU C C 68 174.500 174.517 -0.017 1
1 705 . 9 1 1 A 68 68 GLU CA C 68 54.130 54.482 -0.352 1
1 706 . 9 1 1 A 68 68 GLU CB C 68 32.450 33.714 -1.264 1
1 708 . 9 1 1 A 68 68 GLU N N 68 123.040 121.286 1.754 1
1 709 . 9 1 1 A 69 69 GLU H H 69 8.440 8.597 -0.157 1
1 710 . 9 1 1 A 69 69 GLU HA H 69 5.500 5.360 0.140 1
1 713 . 9 1 1 A 69 69 GLU C C 69 175.000 175.140 -0.140 1
1 714 . 9 1 1 A 69 69 GLU CA C 69 55.010 54.845 0.165 1
1 715 . 9 1 1 A 69 69 GLU CB C 69 33.200 33.307 -0.107 1
1 717 . 9 1 1 A 69 69 GLU N N 69 118.940 122.943 -4.003 1
1 718 . 9 1 1 A 70 70 ALA H H 70 9.140 8.375 0.765 1
1 719 . 9 1 1 A 70 70 ALA HA H 70 4.840 4.996 -0.156 1
1 723 . 9 1 1 A 70 70 ALA C C 70 175.500 175.666 -0.166 1
1 724 . 9 1 1 A 70 70 ALA CA C 70 51.720 51.398 0.322 1
1 725 . 9 1 1 A 70 70 ALA CB C 70 23.780 23.859 -0.079 1
1 726 . 9 1 1 A 70 70 ALA N N 70 124.420 127.490 -3.070 1
1 727 . 9 1 1 A 71 71 SER H H 71 8.640 8.914 -0.274 1
1 728 . 9 1 1 A 71 71 SER HA H 71 5.480 5.785 -0.305 1
1 731 . 9 1 1 A 71 71 SER C C 71 173.900 173.679 0.221 1
1 732 . 9 1 1 A 71 71 SER CA C 71 57.470 56.267 1.203 1
1 733 . 9 1 1 A 71 71 SER CB C 71 63.760 66.060 -2.300 1
1 734 . 9 1 1 A 71 71 SER N N 71 118.040 113.149 4.891 1
1 735 . 9 1 1 A 72 72 ILE H H 72 9.100 8.474 0.626 1
1 736 . 9 1 1 A 72 72 ILE HA H 72 4.340 4.803 -0.463 1
1 746 . 9 1 1 A 72 72 ILE C C 72 173.500 174.312 -0.812 1
1 747 . 9 1 1 A 72 72 ILE CA C 72 60.140 59.877 0.263 1
1 748 . 9 1 1 A 72 72 ILE CB C 72 41.920 42.700 -0.780 1
1 752 . 9 1 1 A 72 72 ILE N N 72 124.670 123.764 0.906 1
1 753 . 9 1 1 A 73 73 LYS H H 73 8.530 8.448 0.082 1
1 754 . 9 1 1 A 73 73 LYS HA H 73 4.810 4.565 0.245 1
1 759 . 9 1 1 A 73 73 LYS C C 73 176.000 177.005 -1.005 1
1 760 . 9 1 1 A 73 73 LYS CA C 73 55.630 55.897 -0.267 1
1 761 . 9 1 1 A 73 73 LYS CB C 73 33.440 33.669 -0.229 1
1 765 . 9 1 1 A 73 73 LYS N N 73 128.060 127.215 0.845 1
1 766 . 9 1 1 A 74 74 LEU H H 74 8.900 8.247 0.653 1
1 767 . 9 1 1 A 74 74 LEU HA H 74 4.230 4.362 -0.132 1
1 774 . 9 1 1 A 74 74 LEU C C 74 178.400 176.654 1.746 1
1 775 . 9 1 1 A 74 74 LEU CA C 74 55.520 55.282 0.238 1
1 776 . 9 1 1 A 74 74 LEU CB C 74 42.240 42.308 -0.068 1
1 779 . 9 1 1 A 74 74 LEU N N 74 123.270 125.844 -2.574 1
1 780 . 9 1 1 A 75 75 THR H H 75 8.550 8.863 -0.313 1
1 781 . 9 1 1 A 75 75 THR HA H 75 4.680 5.150 -0.470 1
1 786 . 9 1 1 A 75 75 THR C C 75 172.600 173.086 -0.486 1
1 787 . 9 1 1 A 75 75 THR CA C 75 59.400 59.303 0.097 1
1 788 . 9 1 1 A 75 75 THR CB C 75 71.300 72.378 -1.078 1
1 790 . 9 1 1 A 75 75 THR N N 75 116.480 114.167 2.313 1
1 791 . 9 1 1 A 76 76 ALA H H 76 8.360 8.444 -0.084 1
1 792 . 9 1 1 A 76 76 ALA HA H 76 4.490 4.787 -0.297 1
1 796 . 9 1 1 A 76 76 ALA C C 76 179.100 177.619 1.481 1
1 797 . 9 1 1 A 76 76 ALA CA C 76 51.730 51.013 0.717 1
1 798 . 9 1 1 A 76 76 ALA CB C 76 18.930 20.547 -1.617 1
1 799 . 9 1 1 A 76 76 ALA N N 76 123.400 124.229 -0.829 1
1 800 . 9 1 1 A 77 77 ILE H H 77 8.850 8.692 0.158 1
1 801 . 9 1 1 A 77 77 ILE HA H 77 4.370 4.490 -0.120 1
1 811 . 9 1 1 A 77 77 ILE C C 77 174.900 175.108 -0.208 1
1 812 . 9 1 1 A 77 77 ILE CA C 77 59.850 61.167 -1.317 1
1 813 . 9 1 1 A 77 77 ILE CB C 77 39.200 40.380 -1.180 1
1 817 . 9 1 1 A 77 77 ILE N N 77 118.310 117.583 0.727 1
1 818 . 9 1 1 A 78 78 ASP H H 78 7.580 7.719 -0.139 1
1 819 . 9 1 1 A 78 78 ASP HA H 78 4.670 4.876 -0.206 1
1 822 . 9 1 1 A 78 78 ASP C C 78 177.300 177.011 0.289 1
1 823 . 9 1 1 A 78 78 ASP CA C 78 52.500 53.190 -0.690 1
1 824 . 9 1 1 A 78 78 ASP CB C 78 42.100 42.107 -0.007 1
1 825 . 9 1 1 A 78 78 ASP N N 78 118.160 122.580 -4.420 1
1 826 . 9 1 1 A 79 79 LYS H H 79 8.380 8.814 -0.434 1
1 827 . 9 1 1 A 79 79 LYS HA H 79 4.200 4.090 0.110 1
1 832 . 9 1 1 A 79 79 LYS C C 79 177.200 177.005 0.195 1
1 833 . 9 1 1 A 79 79 LYS CA C 79 57.620 59.015 -1.395 1
1 834 . 9 1 1 A 79 79 LYS CB C 79 31.940 31.885 0.055 1
1 838 . 9 1 1 A 79 79 LYS N N 79 117.260 122.333 -5.073 1
1 839 . 9 1 1 A 80 80 LYS H H 80 7.900 7.757 0.143 1
1 840 . 9 1 1 A 80 80 LYS HA H 80 4.350 4.262 0.088 1
1 845 . 9 1 1 A 80 80 LYS C C 80 176.800 177.701 -0.901 1
1 846 . 9 1 1 A 80 80 LYS CA C 80 56.070 55.329 0.741 1
1 847 . 9 1 1 A 80 80 LYS CB C 80 32.430 31.619 0.811 1
1 851 . 9 1 1 A 80 80 LYS N N 80 118.240 115.685 2.555 1
1 852 . 9 1 1 A 81 81 GLY H H 81 7.850 8.374 -0.524 1
1 853 . 9 1 1 A 81 81 GLY HA2 H 81 4.170 3.891 0.279 1
1 854 . 9 1 1 A 81 81 GLY HA3 H 81 3.520 3.894 -0.374 1
1 855 . 9 1 1 A 81 81 GLY C C 81 173.700 174.810 -1.110 1
1 856 . 9 1 1 A 81 81 GLY CA C 81 45.340 46.974 -1.634 1
1 857 . 9 1 1 A 81 81 GLY N N 81 107.740 109.238 -1.498 1
1 858 . 9 1 1 A 82 82 THR H H 82 8.760 8.077 0.683 1
1 859 . 9 1 1 A 82 82 THR HA H 82 4.060 4.352 -0.292 1
1 864 . 9 1 1 A 82 82 THR CA C 82 61.340 60.132 1.208 1
1 865 . 9 1 1 A 82 82 THR CB C 82 68.440 69.186 -0.746 1
1 867 . 9 1 1 A 82 82 THR N N 82 122.360 115.931 6.429 1
1 868 . 9 1 1 A 83 83 PRO HA H 83 4.760 4.468 0.292 1
1 874 . 9 1 1 A 83 83 PRO C C 83 177.100 177.111 -0.011 1
1 875 . 9 1 1 A 83 83 PRO CA C 83 61.750 63.836 -2.086 1
1 876 . 9 1 1 A 83 83 PRO CB C 83 33.000 32.243 0.757 1
1 879 . 9 1 1 A 84 84 GLY H H 84 8.870 8.348 0.522 1
1 880 . 9 1 1 A 84 84 GLY HA2 H 84 4.140 4.200 -0.060 1
1 881 . 9 1 1 A 84 84 GLY C C 84 171.400 175.765 -4.365 1
1 882 . 9 1 1 A 84 84 GLY CA C 84 46.360 45.469 0.891 1
1 883 . 9 1 1 A 84 84 GLY N N 84 104.120 107.825 -3.705 1
1 884 . 9 1 1 A 85 85 ILE H H 85 8.920 8.152 0.768 1
1 885 . 9 1 1 A 85 85 ILE HA H 85 4.570 3.805 0.765 1
1 895 . 9 1 1 A 85 85 ILE C C 85 175.100 176.073 -0.973 1
1 896 . 9 1 1 A 85 85 ILE CA C 85 61.110 63.124 -2.014 1
1 897 . 9 1 1 A 85 85 ILE CB C 85 40.020 36.198 3.822 1
1 901 . 9 1 1 A 85 85 ILE N N 85 112.690 116.040 -3.350 1
1 902 . 9 1 1 A 86 86 GLY H H 86 8.980 9.145 -0.165 1
1 903 . 9 1 1 A 86 86 GLY HA2 H 86 3.770 4.031 -0.261 1
1 904 . 9 1 1 A 86 86 GLY HA3 H 86 4.160 4.034 0.126 1
1 905 . 9 1 1 A 86 86 GLY C C 86 173.300 173.661 -0.361 1
1 906 . 9 1 1 A 86 86 GLY CA C 86 45.960 45.430 0.530 1
1 907 . 9 1 1 A 86 86 GLY N N 86 112.050 108.141 3.909 1
1 908 . 9 1 1 A 87 87 ILE H H 87 7.290 7.237 0.053 1
1 909 . 9 1 1 A 87 87 ILE HA H 87 5.170 4.880 0.290 1
1 918 . 9 1 1 A 87 87 ILE C C 87 174.800 174.194 0.606 1
1 919 . 9 1 1 A 87 87 ILE CA C 87 58.850 58.730 0.120 1
1 920 . 9 1 1 A 87 87 ILE CB C 87 41.480 42.554 -1.074 1
1 924 . 9 1 1 A 87 87 ILE N N 87 110.880 114.912 -4.032 1
1 925 . 9 1 1 A 88 88 THR H H 88 8.350 8.732 -0.382 1
1 926 . 9 1 1 A 88 88 THR HA H 88 4.580 5.117 -0.537 1
1 931 . 9 1 1 A 88 88 THR C C 88 173.700 172.727 0.973 1
1 932 . 9 1 1 A 88 88 THR CA C 88 61.410 60.578 0.832 1
1 933 . 9 1 1 A 88 88 THR CB C 88 70.570 71.262 -0.692 1
1 935 . 9 1 1 A 88 88 THR N N 88 116.050 116.448 -0.398 1
1 936 . 9 1 1 A 89 89 LEU H H 89 8.950 8.958 -0.008 1
1 937 . 9 1 1 A 89 89 LEU HA H 89 5.210 5.175 0.035 1
1 944 . 9 1 1 A 89 89 LEU C C 89 176.000 175.728 0.272 1
1 945 . 9 1 1 A 89 89 LEU CA C 89 53.600 53.326 0.274 1
1 946 . 9 1 1 A 89 89 LEU CB C 89 44.840 43.485 1.355 1
1 949 . 9 1 1 A 89 89 LEU N N 89 126.710 129.446 -2.736 1
1 950 . 9 1 1 A 90 90 VAL H H 90 8.820 8.687 0.133 1
1 951 . 9 1 1 A 90 90 VAL HA H 90 4.320 4.640 -0.320 1
1 956 . 9 1 1 A 90 90 VAL C C 90 174.600 173.868 0.732 1
1 957 . 9 1 1 A 90 90 VAL CA C 90 61.300 61.059 0.241 1
1 958 . 9 1 1 A 90 90 VAL CB C 90 34.850 35.833 -0.983 1
1 961 . 9 1 1 A 90 90 VAL N N 90 117.740 123.354 -5.614 1
1 962 . 9 1 1 A 91 91 ASP H H 91 8.510 8.997 -0.487 1
1 963 . 9 1 1 A 91 91 ASP HA H 91 4.890 4.984 -0.094 1
1 965 . 9 1 1 A 91 91 ASP C C 91 176.000 174.374 1.626 1
1 966 . 9 1 1 A 91 91 ASP CA C 91 54.920 52.714 2.206 1
1 967 . 9 1 1 A 91 91 ASP CB C 91 41.590 41.126 0.464 1
1 968 . 9 1 1 A 91 91 ASP N N 91 123.890 127.850 -3.960 1
1 969 . 9 1 1 A 92 92 ASP H H 92 8.390 8.524 -0.134 1
1 970 . 9 1 1 A 92 92 ASP HA H 92 4.730 4.919 -0.189 1
1 972 . 9 1 1 A 92 92 ASP C C 92 175.800 175.267 0.533 1
1 973 . 9 1 1 A 92 92 ASP CA C 92 53.890 54.105 -0.215 1
1 974 . 9 1 1 A 92 92 ASP CB C 92 41.650 40.704 0.946 1
1 975 . 9 1 1 A 92 92 ASP N N 92 119.860 126.126 -6.266 1
1 976 . 9 1 1 A 93 93 LEU H H 93 8.180 8.550 -0.370 1
1 977 . 9 1 1 A 93 93 LEU HA H 93 4.130 4.407 -0.277 1
1 983 . 9 1 1 A 93 93 LEU C C 93 177.700 176.977 0.723 1
1 984 . 9 1 1 A 93 93 LEU CA C 93 55.920 54.425 1.495 1
1 985 . 9 1 1 A 93 93 LEU CB C 93 42.120 39.680 2.440 1
1 989 . 9 1 1 A 93 93 LEU N N 93 122.430 126.691 -4.261 1
1 990 . 9 1 1 A 94 94 GLU H H 94 8.240 8.204 0.036 1
1 991 . 9 1 1 A 94 94 GLU HA H 94 4.070 4.325 -0.255 1
1 995 . 9 1 1 A 94 94 GLU C C 94 176.500 176.606 -0.106 1
1 996 . 9 1 1 A 94 94 GLU CA C 94 56.790 55.405 1.385 1
1 997 . 9 1 1 A 94 94 GLU CB C 94 29.440 30.092 -0.652 1
1 999 . 9 1 1 A 94 94 GLU N N 94 118.890 118.658 0.232 1
1 1000 . 9 1 1 A 95 95 HIS H H 95 8.250 7.706 0.544 1
1 1001 . 9 1 1 A 95 95 HIS CA C 95 55.680 57.672 -1.992 1
1 1002 . 9 1 1 A 95 95 HIS CB C 95 28.300 30.601 -2.301 1
1 1003 . 9 1 1 A 95 95 HIS N N 95 117.130 118.922 -1.792 1
1 1004 . 9 1 1 A 96 96 HIS H H 96 8.440 7.716 0.724 1
1 1005 . 9 1 1 A 96 96 HIS CA C 96 55.550 58.320 -2.770 1
1 1006 . 9 1 1 A 96 96 HIS CB C 96 28.830 28.322 0.508 1
1 5 . 10 1 1 A 2 2 VAL HA H 2 3.810 3.936 -0.126 1
1 10 . 10 1 1 A 2 2 VAL C C 2 171.900 174.720 -2.820 1
1 11 . 10 1 1 A 2 2 VAL CA C 2 61.200 61.962 -0.762 1
1 12 . 10 1 1 A 2 2 VAL CB C 2 32.900 31.221 1.679 1
1 14 . 10 1 1 A 3 3 LYS H H 3 8.620 8.515 0.105 1
1 15 . 10 1 1 A 3 3 LYS HA H 3 4.400 4.771 -0.371 1
1 19 . 10 1 1 A 3 3 LYS C C 3 175.800 176.833 -1.033 1
1 20 . 10 1 1 A 3 3 LYS CA C 3 56.240 53.909 2.331 1
1 21 . 10 1 1 A 3 3 LYS CB C 3 33.190 35.735 -2.545 1
1 25 . 10 1 1 A 3 3 LYS N N 3 126.140 125.595 0.545 1
1 26 . 10 1 1 A 4 4 VAL H H 4 8.350 8.535 -0.185 1
1 30 . 10 1 1 A 4 4 VAL C C 4 175.600 176.261 -0.661 1
1 31 . 10 1 1 A 4 4 VAL CA C 4 62.200 64.970 -2.770 1
1 32 . 10 1 1 A 4 4 VAL CB C 4 33.060 31.799 1.261 1
1 34 . 10 1 1 A 4 4 VAL N N 4 123.850 122.802 1.048 1
1 35 . 10 1 1 A 5 5 THR H H 5 8.100 7.523 0.577 1
1 36 . 10 1 1 A 5 5 THR HA H 5 4.060 4.251 -0.191 1
1 41 . 10 1 1 A 5 5 THR C C 5 173.400 174.241 -0.841 1
1 42 . 10 1 1 A 5 5 THR CA C 5 61.220 62.894 -1.674 1
1 43 . 10 1 1 A 5 5 THR CB C 5 70.100 69.664 0.436 1
1 45 . 10 1 1 A 5 5 THR N N 5 118.630 115.453 3.177 1
1 46 . 10 1 1 A 6 6 TYR H H 6 8.300 8.812 -0.512 1
1 51 . 10 1 1 A 6 6 TYR C C 6 175.400 175.481 -0.081 1
1 52 . 10 1 1 A 6 6 TYR CA C 6 57.480 60.577 -3.097 1
1 53 . 10 1 1 A 6 6 TYR CB C 6 39.400 38.691 0.709 1
1 56 . 10 1 1 A 6 6 TYR N N 6 123.230 125.127 -1.897 1
1 57 . 10 1 1 A 7 7 ASP H H 7 8.560 8.240 0.320 1
1 58 . 10 1 1 A 7 7 ASP HA H 7 4.670 4.938 -0.268 1
1 60 . 10 1 1 A 7 7 ASP C C 7 175.100 175.138 -0.038 1
1 61 . 10 1 1 A 7 7 ASP CA C 7 54.400 54.924 -0.524 1
1 62 . 10 1 1 A 7 7 ASP CB C 7 41.250 41.832 -0.582 1
1 63 . 10 1 1 A 7 7 ASP N N 7 122.230 116.388 5.842 1
1 64 . 10 1 1 A 8 8 GLY H H 8 7.610 7.739 -0.129 1
1 65 . 10 1 1 A 8 8 GLY HA2 H 8 3.930 4.152 -0.222 1
1 66 . 10 1 1 A 8 8 GLY HA3 H 8 4.140 4.179 -0.039 1
1 67 . 10 1 1 A 8 8 GLY C C 8 171.900 171.418 0.482 1
1 68 . 10 1 1 A 8 8 GLY CA C 8 44.940 45.587 -0.647 1
1 69 . 10 1 1 A 8 8 GLY N N 8 106.550 107.381 -0.831 1
1 70 . 10 1 1 A 9 9 VAL H H 9 8.050 8.399 -0.349 1
1 71 . 10 1 1 A 9 9 VAL HA H 9 4.520 4.685 -0.165 1
1 79 . 10 1 1 A 9 9 VAL C C 9 173.700 173.614 0.086 1
1 80 . 10 1 1 A 9 9 VAL CA C 9 59.940 59.612 0.328 1
1 81 . 10 1 1 A 9 9 VAL CB C 9 33.470 34.633 -1.163 1
1 84 . 10 1 1 A 9 9 VAL N N 9 115.200 116.702 -1.502 1
1 85 . 10 1 1 A 10 10 TYR H H 10 8.720 8.168 0.552 1
1 89 . 10 1 1 A 10 10 TYR C C 10 175.700 175.469 0.231 1
1 90 . 10 1 1 A 10 10 TYR CA C 10 57.730 57.592 0.138 1
1 91 . 10 1 1 A 10 10 TYR CB C 10 41.210 39.999 1.211 1
1 94 . 10 1 1 A 10 10 TYR N N 10 122.700 125.321 -2.621 1
1 95 . 10 1 1 A 11 11 VAL H H 11 8.810 8.436 0.374 1
1 96 . 10 1 1 A 11 11 VAL HA H 11 3.880 4.148 -0.268 1
1 104 . 10 1 1 A 11 11 VAL C C 11 175.700 175.911 -0.211 1
1 105 . 10 1 1 A 11 11 VAL CA C 11 62.810 63.636 -0.826 1
1 106 . 10 1 1 A 11 11 VAL CB C 11 31.920 31.865 0.055 1
1 109 . 10 1 1 A 11 11 VAL N N 11 121.170 125.424 -4.254 1
1 110 . 10 1 1 A 12 12 LEU H H 12 9.390 9.292 0.098 1
1 111 . 10 1 1 A 12 12 LEU HA H 12 4.350 4.292 0.058 1
1 120 . 10 1 1 A 12 12 LEU CA C 12 56.560 57.130 -0.570 1
1 121 . 10 1 1 A 12 12 LEU CB C 12 43.120 42.623 0.497 1
1 125 . 10 1 1 A 12 12 LEU N N 12 133.040 129.041 3.999 1
1 126 . 10 1 1 A 13 13 SER H H 13 7.490 7.649 -0.159 1
1 127 . 10 1 1 A 13 13 SER HA H 13 3.700 4.723 -1.023 1
1 129 . 10 1 1 A 13 13 SER C C 13 171.100 171.910 -0.810 1
1 130 . 10 1 1 A 13 13 SER CA C 13 56.890 57.417 -0.527 1
1 131 . 10 1 1 A 13 13 SER CB C 13 65.220 65.456 -0.236 1
1 132 . 10 1 1 A 13 13 SER N N 13 109.070 109.447 -0.377 1
1 133 . 10 1 1 A 14 14 VAL H H 14 8.380 8.477 -0.097 1
1 134 . 10 1 1 A 14 14 VAL HA H 14 4.360 4.572 -0.212 1
1 142 . 10 1 1 A 14 14 VAL C C 14 175.500 174.559 0.941 1
1 143 . 10 1 1 A 14 14 VAL CA C 14 61.270 61.085 0.185 1
1 144 . 10 1 1 A 14 14 VAL CB C 14 34.620 33.819 0.801 1
1 147 . 10 1 1 A 14 14 VAL N N 14 121.190 121.481 -0.291 1
1 148 . 10 1 1 A 15 15 LYS H H 15 7.920 8.619 -0.699 1
1 149 . 10 1 1 A 15 15 LYS HA H 15 4.180 4.749 -0.569 1
1 154 . 10 1 1 A 15 15 LYS C C 15 175.600 176.343 -0.743 1
1 155 . 10 1 1 A 15 15 LYS CA C 15 57.150 55.133 2.017 1
1 156 . 10 1 1 A 15 15 LYS CB C 15 33.730 33.345 0.385 1
1 160 . 10 1 1 A 15 15 LYS N N 15 126.860 126.882 -0.022 1
1 161 . 10 1 1 A 16 16 GLU H H 16 8.200 8.702 -0.502 1
1 162 . 10 1 1 A 16 16 GLU HA H 16 4.240 4.285 -0.045 1
1 165 . 10 1 1 A 16 16 GLU C C 16 177.000 175.798 1.202 1
1 166 . 10 1 1 A 16 16 GLU CA C 16 56.720 56.655 0.065 1
1 167 . 10 1 1 A 16 16 GLU CB C 16 30.090 28.673 1.417 1
1 169 . 10 1 1 A 16 16 GLU N N 16 117.010 124.646 -7.636 1
1 170 . 10 1 1 A 17 17 ASP H H 17 8.910 7.928 0.982 1
1 171 . 10 1 1 A 17 17 ASP HA H 17 4.420 4.924 -0.504 1
1 173 . 10 1 1 A 17 17 ASP C C 17 174.500 174.805 -0.305 1
1 174 . 10 1 1 A 17 17 ASP CA C 17 54.540 53.429 1.111 1
1 175 . 10 1 1 A 17 17 ASP CB C 17 38.700 42.164 -3.464 1
1 176 . 10 1 1 A 17 17 ASP N N 17 116.410 122.189 -5.779 1
1 177 . 10 1 1 A 18 18 VAL H H 18 6.670 7.379 -0.709 1
1 178 . 10 1 1 A 18 18 VAL HA H 18 4.840 4.736 0.104 1
1 183 . 10 1 1 A 18 18 VAL CA C 18 58.350 58.229 0.121 1
1 184 . 10 1 1 A 18 18 VAL CB C 18 32.330 34.213 -1.883 1
1 186 . 10 1 1 A 18 18 VAL N N 18 108.460 116.293 -7.833 1
1 187 . 10 1 1 A 19 19 PRO HA H 19 4.260 4.293 -0.033 1
1 193 . 10 1 1 A 19 19 PRO C C 19 177.600 177.437 0.163 1
1 194 . 10 1 1 A 19 19 PRO CA C 19 65.900 65.225 0.675 1
1 195 . 10 1 1 A 19 19 PRO CB C 19 33.200 31.724 1.476 1
1 198 . 10 1 1 A 20 20 ALA H H 20 8.270 7.997 0.273 1
1 199 . 10 1 1 A 20 20 ALA HA H 20 3.930 4.213 -0.283 1
1 203 . 10 1 1 A 20 20 ALA C C 20 177.100 177.703 -0.603 1
1 204 . 10 1 1 A 20 20 ALA CA C 20 53.150 53.954 -0.804 1
1 205 . 10 1 1 A 20 20 ALA CB C 20 19.850 18.706 1.144 1
1 206 . 10 1 1 A 20 20 ALA N N 20 112.780 118.118 -5.338 1
1 207 . 10 1 1 A 21 21 ALA H H 21 7.880 8.022 -0.142 1
1 208 . 10 1 1 A 21 21 ALA HA H 21 4.040 4.069 -0.029 1
1 212 . 10 1 1 A 21 21 ALA C C 21 178.500 178.575 -0.075 1
1 213 . 10 1 1 A 21 21 ALA CA C 21 54.210 53.700 0.510 1
1 214 . 10 1 1 A 21 21 ALA CB C 21 18.010 18.434 -0.424 1
1 215 . 10 1 1 A 21 21 ALA N N 21 122.260 121.202 1.058 1
1 216 . 10 1 1 A 22 22 GLY H H 22 8.970 8.794 0.176 1
1 217 . 10 1 1 A 22 22 GLY HA2 H 22 4.120 3.980 0.140 1
1 218 . 10 1 1 A 22 22 GLY HA3 H 22 3.670 3.980 -0.310 1
1 219 . 10 1 1 A 22 22 GLY C C 22 173.300 173.247 0.053 1
1 220 . 10 1 1 A 22 22 GLY CA C 22 45.210 45.597 -0.387 1
1 221 . 10 1 1 A 22 22 GLY N N 22 110.560 110.400 0.160 1
1 222 . 10 1 1 A 23 23 ILE H H 23 7.700 7.634 0.066 1
1 223 . 10 1 1 A 23 23 ILE HA H 23 3.950 4.278 -0.328 1
1 233 . 10 1 1 A 23 23 ILE C C 23 175.300 175.542 -0.242 1
1 234 . 10 1 1 A 23 23 ILE CA C 23 62.530 62.640 -0.110 1
1 235 . 10 1 1 A 23 23 ILE CB C 23 40.040 40.442 -0.402 1
1 239 . 10 1 1 A 23 23 ILE N N 23 120.200 118.004 2.196 1
1 240 . 10 1 1 A 24 24 LEU H H 24 7.480 7.285 0.195 1
1 241 . 10 1 1 A 24 24 LEU HA H 24 4.250 4.555 -0.305 1
1 248 . 10 1 1 A 24 24 LEU C C 24 174.000 175.435 -1.435 1
1 249 . 10 1 1 A 24 24 LEU CA C 24 52.990 53.294 -0.304 1
1 250 . 10 1 1 A 24 24 LEU CB C 24 44.740 44.643 0.097 1
1 253 . 10 1 1 A 24 24 LEU N N 24 116.660 118.510 -1.850 1
1 254 . 10 1 1 A 25 25 HIS H H 25 8.280 8.757 -0.477 1
1 255 . 10 1 1 A 25 25 HIS HA H 25 4.570 5.093 -0.523 1
1 259 . 10 1 1 A 25 25 HIS C C 25 173.400 173.557 -0.157 1
1 260 . 10 1 1 A 25 25 HIS CA C 25 54.370 54.208 0.162 1
1 261 . 10 1 1 A 25 25 HIS CB C 25 32.150 33.380 -1.230 1
1 263 . 10 1 1 A 25 25 HIS N N 25 115.300 123.971 -8.671 1
1 264 . 10 1 1 A 26 26 ALA H H 26 8.900 8.025 0.875 1
1 265 . 10 1 1 A 26 26 ALA HA H 26 3.730 3.823 -0.093 1
1 269 . 10 1 1 A 26 26 ALA C C 26 178.500 178.374 0.126 1
1 270 . 10 1 1 A 26 26 ALA CA C 26 53.740 53.666 0.074 1
1 271 . 10 1 1 A 26 26 ALA CB C 26 18.400 18.523 -0.123 1
1 272 . 10 1 1 A 26 26 ALA N N 26 124.340 126.044 -1.704 1
1 273 . 10 1 1 A 27 27 GLY H H 27 9.430 8.650 0.780 1
1 274 . 10 1 1 A 27 27 GLY HA2 H 27 4.500 4.029 0.471 1
1 275 . 10 1 1 A 27 27 GLY HA3 H 27 3.620 4.056 -0.436 1
1 276 . 10 1 1 A 27 27 GLY C C 27 174.500 174.153 0.347 1
1 277 . 10 1 1 A 27 27 GLY CA C 27 44.900 45.160 -0.260 1
1 278 . 10 1 1 A 27 27 GLY N N 27 113.020 110.288 2.732 1
1 279 . 10 1 1 A 28 28 ASP H H 28 8.150 8.001 0.149 1
1 280 . 10 1 1 A 28 28 ASP HA H 28 5.000 4.729 0.271 1
1 282 . 10 1 1 A 28 28 ASP C C 28 173.800 175.783 -1.983 1
1 283 . 10 1 1 A 28 28 ASP CA C 28 55.510 54.474 1.036 1
1 284 . 10 1 1 A 28 28 ASP CB C 28 41.190 41.627 -0.437 1
1 285 . 10 1 1 A 28 28 ASP N N 28 121.760 122.232 -0.472 1
1 286 . 10 1 1 A 29 29 LEU H H 29 8.000 8.721 -0.721 1
1 287 . 10 1 1 A 29 29 LEU HA H 29 4.640 5.053 -0.413 1
1 294 . 10 1 1 A 29 29 LEU C C 29 176.300 176.092 0.208 1
1 295 . 10 1 1 A 29 29 LEU CA C 29 53.120 53.618 -0.498 1
1 296 . 10 1 1 A 29 29 LEU CB C 29 45.320 44.031 1.289 1
1 299 . 10 1 1 A 29 29 LEU N N 29 122.000 125.245 -3.245 1
1 300 . 10 1 1 A 30 30 ILE H H 30 9.210 8.927 0.283 1
1 301 . 10 1 1 A 30 30 ILE HA H 30 4.360 4.422 -0.062 1
1 310 . 10 1 1 A 30 30 ILE C C 30 175.800 177.025 -1.225 1
1 311 . 10 1 1 A 30 30 ILE CA C 30 61.200 61.190 0.010 1
1 312 . 10 1 1 A 30 30 ILE CB C 30 38.080 37.939 0.141 1
1 316 . 10 1 1 A 30 30 ILE N N 30 126.210 124.041 2.169 1
1 317 . 10 1 1 A 31 31 THR H H 31 8.790 9.341 -0.551 1
1 318 . 10 1 1 A 31 31 THR HA H 31 4.230 4.449 -0.219 1
1 323 . 10 1 1 A 31 31 THR C C 31 175.900 174.547 1.353 1
1 324 . 10 1 1 A 31 31 THR CA C 31 62.260 62.915 -0.655 1
1 325 . 10 1 1 A 31 31 THR CB C 31 69.320 68.899 0.421 1
1 327 . 10 1 1 A 31 31 THR N N 31 117.100 119.549 -2.449 1
1 328 . 10 1 1 A 32 32 GLU H H 32 7.790 7.443 0.347 1
1 329 . 10 1 1 A 32 32 GLU HA H 32 5.080 4.825 0.255 1
1 333 . 10 1 1 A 32 32 GLU C C 32 174.700 174.162 0.538 1
1 334 . 10 1 1 A 32 32 GLU CA C 32 55.870 55.895 -0.025 1
1 335 . 10 1 1 A 32 32 GLU CB C 32 35.300 32.876 2.424 1
1 337 . 10 1 1 A 32 32 GLU N N 32 120.420 119.556 0.864 1
1 338 . 10 1 1 A 33 33 ILE H H 33 8.770 8.866 -0.096 1
1 339 . 10 1 1 A 33 33 ILE HA H 33 5.220 4.657 0.563 1
1 348 . 10 1 1 A 33 33 ILE C C 33 174.200 174.723 -0.523 1
1 349 . 10 1 1 A 33 33 ILE CA C 33 59.380 59.773 -0.393 1
1 350 . 10 1 1 A 33 33 ILE CB C 33 41.120 40.871 0.249 1
1 354 . 10 1 1 A 33 33 ILE N N 33 119.470 123.709 -4.239 1
1 355 . 10 1 1 A 34 34 ASP H H 34 10.100 9.135 0.965 1
1 356 . 10 1 1 A 34 34 ASP HA H 34 4.430 4.270 0.160 1
1 359 . 10 1 1 A 34 34 ASP C C 34 176.200 175.421 0.779 1
1 360 . 10 1 1 A 34 34 ASP CA C 34 55.530 55.016 0.514 1
1 361 . 10 1 1 A 34 34 ASP CB C 34 39.000 39.715 -0.715 1
1 362 . 10 1 1 A 34 34 ASP N N 34 128.840 128.841 -0.001 1
1 363 . 10 1 1 A 35 35 GLY H H 35 8.860 8.645 0.215 1
1 364 . 10 1 1 A 35 35 GLY HA2 H 35 3.630 3.801 -0.171 1
1 365 . 10 1 1 A 35 35 GLY HA3 H 35 3.970 3.830 0.140 1
1 366 . 10 1 1 A 35 35 GLY C C 35 173.900 173.756 0.144 1
1 367 . 10 1 1 A 35 35 GLY CA C 35 45.580 45.524 0.056 1
1 368 . 10 1 1 A 35 35 GLY N N 35 103.110 104.634 -1.524 1
1 369 . 10 1 1 A 36 36 GLN H H 36 8.070 8.306 -0.236 1
1 370 . 10 1 1 A 36 36 GLN HA H 36 4.240 5.012 -0.772 1
1 374 . 10 1 1 A 36 36 GLN C C 36 174.200 175.505 -1.305 1
1 375 . 10 1 1 A 36 36 GLN CA C 36 54.250 53.945 0.305 1
1 376 . 10 1 1 A 36 36 GLN CB C 36 30.870 32.261 -1.391 1
1 378 . 10 1 1 A 36 36 GLN N N 36 119.670 119.837 -0.167 1
1 379 . 10 1 1 A 37 37 SER H H 37 8.290 9.172 -0.882 1
1 380 . 10 1 1 A 37 37 SER HA H 37 3.750 3.875 -0.125 1
1 382 . 10 1 1 A 37 37 SER C C 37 173.500 174.086 -0.586 1
1 383 . 10 1 1 A 37 37 SER CA C 37 56.280 59.143 -2.863 1
1 384 . 10 1 1 A 37 37 SER CB C 37 63.630 61.842 1.788 1
1 385 . 10 1 1 A 37 37 SER N N 37 118.770 118.089 0.681 1
1 386 . 10 1 1 A 38 38 PHE H H 38 6.960 7.662 -0.702 1
1 387 . 10 1 1 A 38 38 PHE HA H 38 3.090 4.962 -1.872 1
1 391 . 10 1 1 A 38 38 PHE C C 38 175.600 176.367 -0.767 1
1 392 . 10 1 1 A 38 38 PHE CA C 38 56.590 57.402 -0.812 1
1 393 . 10 1 1 A 38 38 PHE CB C 38 40.910 41.379 -0.469 1
1 396 . 10 1 1 A 38 38 PHE N N 38 120.740 122.708 -1.968 1
1 397 . 10 1 1 A 39 39 LYS H H 39 8.740 7.433 1.307 1
1 398 . 10 1 1 A 39 39 LYS HA H 39 4.160 3.830 0.330 1
1 402 . 10 1 1 A 39 39 LYS C C 39 175.500 176.352 -0.852 1
1 403 . 10 1 1 A 39 39 LYS CA C 39 56.500 59.095 -2.595 1
1 404 . 10 1 1 A 39 39 LYS CB C 39 33.210 32.163 1.047 1
1 408 . 10 1 1 A 39 39 LYS N N 39 118.100 119.775 -1.675 1
1 409 . 10 1 1 A 40 40 SER H H 40 7.480 7.655 -0.175 1
1 410 . 10 1 1 A 40 40 SER HA H 40 3.830 4.715 -0.885 1
1 412 . 10 1 1 A 40 40 SER C C 40 174.800 174.390 0.410 1
1 413 . 10 1 1 A 40 40 SER CA C 40 56.380 55.899 0.481 1
1 414 . 10 1 1 A 40 40 SER CB C 40 66.790 65.223 1.567 1
1 415 . 10 1 1 A 40 40 SER N N 40 111.180 113.234 -2.054 1
1 416 . 10 1 1 A 41 41 SER H H 41 10.310 9.015 1.295 1
1 417 . 10 1 1 A 41 41 SER HA H 41 3.780 4.137 -0.357 1
1 419 . 10 1 1 A 41 41 SER C C 41 176.300 176.550 -0.250 1
1 420 . 10 1 1 A 41 41 SER CA C 41 62.530 61.424 1.106 1
1 421 . 10 1 1 A 41 41 SER CB C 41 66.770 62.751 4.019 1
1 422 . 10 1 1 A 41 41 SER N N 41 121.470 121.238 0.232 1
1 423 . 10 1 1 A 42 42 GLN H H 42 8.510 7.653 0.857 1
1 424 . 10 1 1 A 42 42 GLN HA H 42 3.830 3.949 -0.119 1
1 426 . 10 1 1 A 42 42 GLN C C 42 177.300 178.814 -1.514 1
1 427 . 10 1 1 A 42 42 GLN CA C 42 58.480 59.129 -0.649 1
1 428 . 10 1 1 A 42 42 GLN CB C 42 28.450 28.370 0.080 1
1 430 . 10 1 1 A 42 42 GLN N N 42 121.500 120.916 0.584 1
1 431 . 10 1 1 A 43 43 GLU H H 43 7.470 8.222 -0.752 1
1 432 . 10 1 1 A 43 43 GLU HA H 43 3.840 4.142 -0.302 1
1 434 . 10 1 1 A 43 43 GLU C C 43 179.200 179.077 0.123 1
1 435 . 10 1 1 A 43 43 GLU CA C 43 59.110 59.161 -0.051 1
1 436 . 10 1 1 A 43 43 GLU CB C 43 29.990 29.237 0.753 1
1 438 . 10 1 1 A 43 43 GLU N N 43 116.740 119.262 -2.522 1
1 439 . 10 1 1 A 44 44 PHE H H 44 7.320 8.099 -0.779 1
1 440 . 10 1 1 A 44 44 PHE HA H 44 3.630 4.331 -0.701 1
1 444 . 10 1 1 A 44 44 PHE C C 44 176.800 176.900 -0.100 1
1 445 . 10 1 1 A 44 44 PHE CA C 44 62.270 61.312 0.958 1
1 446 . 10 1 1 A 44 44 PHE CB C 44 39.920 38.920 1.000 1
1 449 . 10 1 1 A 44 44 PHE N N 44 118.660 120.551 -1.891 1
1 450 . 10 1 1 A 45 45 ILE H H 45 8.120 8.391 -0.271 1
1 451 . 10 1 1 A 45 45 ILE HA H 45 3.390 3.628 -0.238 1
1 461 . 10 1 1 A 45 45 ILE C C 45 177.600 177.682 -0.082 1
1 462 . 10 1 1 A 45 45 ILE CA C 45 64.000 64.990 -0.990 1
1 463 . 10 1 1 A 45 45 ILE CB C 45 37.440 37.364 0.076 1
1 467 . 10 1 1 A 45 45 ILE N N 45 119.470 120.345 -0.875 1
1 468 . 10 1 1 A 46 46 ASP H H 46 8.590 8.034 0.556 1
1 469 . 10 1 1 A 46 46 ASP HA H 46 4.180 4.194 -0.014 1
1 471 . 10 1 1 A 46 46 ASP C C 46 178.900 178.145 0.755 1
1 472 . 10 1 1 A 46 46 ASP CA C 46 57.000 57.397 -0.397 1
1 473 . 10 1 1 A 46 46 ASP CB C 46 39.350 39.759 -0.409 1
1 474 . 10 1 1 A 46 46 ASP N N 46 119.870 121.702 -1.832 1
1 475 . 10 1 1 A 47 47 TYR H H 47 7.530 7.754 -0.224 1
1 476 . 10 1 1 A 47 47 TYR HA H 47 4.090 4.096 -0.006 1
1 480 . 10 1 1 A 47 47 TYR C C 47 179.500 177.118 2.382 1
1 481 . 10 1 1 A 47 47 TYR CA C 47 61.960 61.166 0.794 1
1 482 . 10 1 1 A 47 47 TYR CB C 47 38.350 38.486 -0.136 1
1 485 . 10 1 1 A 47 47 TYR N N 47 120.170 122.483 -2.313 1
1 486 . 10 1 1 A 48 48 ILE H H 48 8.020 7.845 0.175 1
1 487 . 10 1 1 A 48 48 ILE HA H 48 3.200 3.577 -0.377 1
1 497 . 10 1 1 A 48 48 ILE C C 48 177.000 177.992 -0.992 1
1 498 . 10 1 1 A 48 48 ILE CA C 48 65.450 65.596 -0.146 1
1 499 . 10 1 1 A 48 48 ILE CB C 48 36.770 37.840 -1.070 1
1 503 . 10 1 1 A 48 48 ILE N N 48 122.120 120.394 1.726 1
1 504 . 10 1 1 A 49 49 HIS H H 49 8.250 7.188 1.062 1
1 505 . 10 1 1 A 49 49 HIS HA H 49 4.490 4.253 0.237 1
1 507 . 10 1 1 A 49 49 HIS C C 49 174.300 177.406 -3.106 1
1 508 . 10 1 1 A 49 49 HIS CA C 49 55.550 59.727 -4.177 1
1 509 . 10 1 1 A 49 49 HIS CB C 49 28.650 29.178 -0.528 1
1 510 . 10 1 1 A 49 49 HIS N N 49 112.280 118.637 -6.357 1
1 511 . 10 1 1 A 50 50 SER H H 50 7.700 7.412 0.288 1
1 512 . 10 1 1 A 50 50 SER HA H 50 3.970 4.261 -0.291 1
1 514 . 10 1 1 A 50 50 SER C C 50 174.300 173.876 0.424 1
1 515 . 10 1 1 A 50 50 SER CA C 50 59.300 60.889 -1.589 1
1 516 . 10 1 1 A 50 50 SER CB C 50 63.840 63.121 0.719 1
1 517 . 10 1 1 A 50 50 SER N N 50 115.110 113.172 1.938 1
1 518 . 10 1 1 A 51 51 LYS H H 51 7.060 7.479 -0.419 1
1 519 . 10 1 1 A 51 51 LYS HA H 51 4.320 4.704 -0.384 1
1 527 . 10 1 1 A 51 51 LYS C C 51 173.100 175.690 -2.590 1
1 528 . 10 1 1 A 51 51 LYS CA C 51 53.730 54.435 -0.705 1
1 529 . 10 1 1 A 51 51 LYS CB C 51 31.350 35.002 -3.652 1
1 533 . 10 1 1 A 51 51 LYS N N 51 123.340 119.648 3.692 1
1 534 . 10 1 1 A 52 52 LYS H H 52 8.250 8.455 -0.205 1
1 535 . 10 1 1 A 52 52 LYS HA H 52 4.610 4.553 0.057 1
1 540 . 10 1 1 A 52 52 LYS C C 52 177.000 177.128 -0.128 1
1 541 . 10 1 1 A 52 52 LYS CA C 52 54.060 55.226 -1.166 1
1 542 . 10 1 1 A 52 52 LYS CB C 52 34.900 33.873 1.027 1
1 546 . 10 1 1 A 52 52 LYS N N 52 115.990 121.804 -5.814 1
1 547 . 10 1 1 A 53 53 VAL H H 53 8.520 8.430 0.090 1
1 548 . 10 1 1 A 53 53 VAL HA H 53 3.050 3.622 -0.572 1
1 556 . 10 1 1 A 53 53 VAL C C 53 177.200 177.086 0.114 1
1 557 . 10 1 1 A 53 53 VAL CA C 53 66.270 65.439 0.831 1
1 558 . 10 1 1 A 53 53 VAL CB C 53 31.290 31.386 -0.096 1
1 561 . 10 1 1 A 53 53 VAL N N 53 120.780 122.119 -1.339 1
1 562 . 10 1 1 A 54 54 GLY H H 54 8.310 8.492 -0.182 1
1 563 . 10 1 1 A 54 54 GLY HA2 H 54 3.520 4.018 -0.498 1
1 564 . 10 1 1 A 54 54 GLY HA3 H 54 4.520 4.023 0.497 1
1 565 . 10 1 1 A 54 54 GLY C C 54 174.500 173.955 0.545 1
1 566 . 10 1 1 A 54 54 GLY CA C 54 45.010 44.975 0.035 1
1 567 . 10 1 1 A 54 54 GLY N N 54 116.140 115.799 0.341 1
1 568 . 10 1 1 A 55 55 ASP H H 55 8.110 7.627 0.483 1
1 569 . 10 1 1 A 55 55 ASP HA H 55 4.710 4.600 0.110 1
1 572 . 10 1 1 A 55 55 ASP C C 55 175.000 175.703 -0.703 1
1 573 . 10 1 1 A 55 55 ASP CA C 55 54.950 54.479 0.471 1
1 574 . 10 1 1 A 55 55 ASP CB C 55 41.300 41.955 -0.655 1
1 575 . 10 1 1 A 55 55 ASP N N 55 121.670 122.180 -0.510 1
1 576 . 10 1 1 A 56 56 THR H H 56 8.670 8.458 0.212 1
1 577 . 10 1 1 A 56 56 THR HA H 56 3.920 4.783 -0.863 1
1 582 . 10 1 1 A 56 56 THR C C 56 175.200 173.682 1.518 1
1 583 . 10 1 1 A 56 56 THR CA C 56 62.350 61.034 1.316 1
1 584 . 10 1 1 A 56 56 THR CB C 56 70.380 70.204 0.176 1
1 586 . 10 1 1 A 56 56 THR N N 56 115.670 113.918 1.752 1
1 587 . 10 1 1 A 57 57 VAL H H 57 8.990 8.873 0.117 1
1 588 . 10 1 1 A 57 57 VAL HA H 57 5.190 5.125 0.065 1
1 596 . 10 1 1 A 57 57 VAL C C 57 173.900 174.146 -0.246 1
1 597 . 10 1 1 A 57 57 VAL CA C 57 58.570 59.492 -0.922 1
1 598 . 10 1 1 A 57 57 VAL CB C 57 34.480 35.567 -1.087 1
1 601 . 10 1 1 A 57 57 VAL N N 57 119.230 123.091 -3.861 1
1 602 . 10 1 1 A 58 58 LYS H H 58 9.000 8.806 0.194 1
1 603 . 10 1 1 A 58 58 LYS HA H 58 5.170 5.091 0.079 1
1 608 . 10 1 1 A 58 58 LYS C C 58 176.400 175.572 0.828 1
1 609 . 10 1 1 A 58 58 LYS CA C 58 54.990 54.959 0.031 1
1 610 . 10 1 1 A 58 58 LYS CB C 58 33.510 34.535 -1.025 1
1 614 . 10 1 1 A 58 58 LYS N N 58 123.700 124.264 -0.564 1
1 615 . 10 1 1 A 59 59 ILE H H 59 9.460 8.759 0.701 1
1 616 . 10 1 1 A 59 59 ILE HA H 59 5.100 4.917 0.183 1
1 626 . 10 1 1 A 59 59 ILE C C 59 175.100 174.530 0.570 1
1 627 . 10 1 1 A 59 59 ILE CA C 59 59.940 59.922 0.018 1
1 628 . 10 1 1 A 59 59 ILE CB C 59 41.740 40.267 1.473 1
1 632 . 10 1 1 A 59 59 ILE N N 59 125.190 126.170 -0.980 1
1 633 . 10 1 1 A 60 60 LYS H H 60 8.780 8.572 0.208 1
1 634 . 10 1 1 A 60 60 LYS HA H 60 5.210 5.205 0.005 1
1 639 . 10 1 1 A 60 60 LYS C C 60 175.000 174.799 0.201 1
1 640 . 10 1 1 A 60 60 LYS CA C 60 55.910 54.840 1.070 1
1 641 . 10 1 1 A 60 60 LYS CB C 60 34.340 35.258 -0.918 1
1 645 . 10 1 1 A 60 60 LYS N N 60 126.140 127.362 -1.222 1
1 646 . 10 1 1 A 61 61 TYR H H 61 8.660 8.646 0.014 1
1 647 . 10 1 1 A 61 61 TYR HA H 61 5.680 5.374 0.306 1
1 651 . 10 1 1 A 61 61 TYR CA C 61 55.090 55.888 -0.798 1
1 652 . 10 1 1 A 61 61 TYR CB C 61 41.640 42.212 -0.572 1
1 655 . 10 1 1 A 61 61 TYR N N 61 120.100 122.868 -2.768 1
1 656 . 10 1 1 A 62 62 LYS H H 62 9.590 8.500 1.090 1
1 657 . 10 1 1 A 62 62 LYS C C 62 172.100 174.691 -2.591 1
1 658 . 10 1 1 A 62 62 LYS CA C 62 54.820 54.590 0.230 1
1 659 . 10 1 1 A 62 62 LYS CB C 62 35.540 35.865 -0.325 1
1 660 . 10 1 1 A 62 62 LYS N N 62 120.730 119.354 1.376 1
1 661 . 10 1 1 A 63 63 HIS H H 63 8.570 8.725 -0.155 1
1 662 . 10 1 1 A 63 63 HIS HA H 63 5.240 5.041 0.199 1
1 665 . 10 1 1 A 63 63 HIS C C 63 175.200 175.120 0.080 1
1 666 . 10 1 1 A 63 63 HIS CA C 63 54.100 55.048 -0.948 1
1 667 . 10 1 1 A 63 63 HIS CB C 63 30.300 32.795 -2.495 1
1 668 . 10 1 1 A 63 63 HIS N N 63 123.800 121.901 1.899 1
1 669 . 10 1 1 A 64 64 GLY H H 64 9.080 8.685 0.395 1
1 670 . 10 1 1 A 64 64 GLY HA2 H 64 3.730 3.612 0.118 1
1 671 . 10 1 1 A 64 64 GLY C C 64 174.200 174.800 -0.600 1
1 672 . 10 1 1 A 64 64 GLY CA C 64 47.090 47.246 -0.156 1
1 673 . 10 1 1 A 64 64 GLY N N 64 119.110 115.859 3.251 1
1 674 . 10 1 1 A 65 65 ASN H H 65 8.770 8.723 0.047 1
1 675 . 10 1 1 A 65 65 ASN HA H 65 4.650 4.773 -0.123 1
1 677 . 10 1 1 A 65 65 ASN C C 65 174.600 175.032 -0.432 1
1 678 . 10 1 1 A 65 65 ASN CA C 65 53.080 53.281 -0.201 1
1 679 . 10 1 1 A 65 65 ASN CB C 65 38.700 40.473 -1.773 1
1 680 . 10 1 1 A 65 65 ASN N N 65 122.390 124.710 -2.320 1
1 681 . 10 1 1 A 66 66 LYS H H 66 7.830 7.563 0.267 1
1 682 . 10 1 1 A 66 66 LYS HA H 66 4.470 4.763 -0.293 1
1 686 . 10 1 1 A 66 66 LYS C C 66 174.900 175.089 -0.189 1
1 687 . 10 1 1 A 66 66 LYS CA C 66 55.490 55.477 0.013 1
1 688 . 10 1 1 A 66 66 LYS CB C 66 34.670 33.971 0.699 1
1 692 . 10 1 1 A 66 66 LYS N N 66 120.640 117.034 3.606 1
1 693 . 10 1 1 A 67 67 ASN H H 67 8.570 8.764 -0.194 1
1 694 . 10 1 1 A 67 67 ASN HA H 67 4.860 5.374 -0.514 1
1 696 . 10 1 1 A 67 67 ASN C C 67 174.700 173.907 0.793 1
1 697 . 10 1 1 A 67 67 ASN CA C 67 53.680 52.208 1.472 1
1 698 . 10 1 1 A 67 67 ASN CB C 67 39.050 41.554 -2.504 1
1 699 . 10 1 1 A 67 67 ASN N N 67 123.400 122.734 0.666 1
1 700 . 10 1 1 A 68 68 GLU H H 68 8.970 8.052 0.918 1
1 701 . 10 1 1 A 68 68 GLU HA H 68 4.630 5.062 -0.432 1
1 704 . 10 1 1 A 68 68 GLU C C 68 174.500 174.447 0.053 1
1 705 . 10 1 1 A 68 68 GLU CA C 68 54.130 54.518 -0.388 1
1 706 . 10 1 1 A 68 68 GLU CB C 68 32.450 33.870 -1.420 1
1 708 . 10 1 1 A 68 68 GLU N N 68 123.040 124.022 -0.982 1
1 709 . 10 1 1 A 69 69 GLU H H 69 8.440 8.929 -0.489 1
1 710 . 10 1 1 A 69 69 GLU HA H 69 5.500 5.264 0.236 1
1 713 . 10 1 1 A 69 69 GLU C C 69 175.000 175.220 -0.220 1
1 714 . 10 1 1 A 69 69 GLU CA C 69 55.010 54.599 0.411 1
1 715 . 10 1 1 A 69 69 GLU CB C 69 33.200 33.196 0.004 1
1 717 . 10 1 1 A 69 69 GLU N N 69 118.940 123.926 -4.986 1
1 718 . 10 1 1 A 70 70 ALA H H 70 9.140 8.669 0.471 1
1 719 . 10 1 1 A 70 70 ALA HA H 70 4.840 5.000 -0.160 1
1 723 . 10 1 1 A 70 70 ALA C C 70 175.500 176.108 -0.608 1
1 724 . 10 1 1 A 70 70 ALA CA C 70 51.720 51.212 0.508 1
1 725 . 10 1 1 A 70 70 ALA CB C 70 23.780 23.352 0.428 1
1 726 . 10 1 1 A 70 70 ALA N N 70 124.420 128.509 -4.089 1
1 727 . 10 1 1 A 71 71 SER H H 71 8.640 8.781 -0.141 1
1 728 . 10 1 1 A 71 71 SER HA H 71 5.480 5.293 0.187 1
1 731 . 10 1 1 A 71 71 SER C C 71 173.900 173.601 0.299 1
1 732 . 10 1 1 A 71 71 SER CA C 71 57.470 58.452 -0.982 1
1 733 . 10 1 1 A 71 71 SER CB C 71 63.760 64.665 -0.905 1
1 734 . 10 1 1 A 71 71 SER N N 71 118.040 119.030 -0.990 1
1 735 . 10 1 1 A 72 72 ILE H H 72 9.100 8.833 0.267 1
1 736 . 10 1 1 A 72 72 ILE HA H 72 4.340 4.731 -0.391 1
1 746 . 10 1 1 A 72 72 ILE C C 72 173.500 174.776 -1.276 1
1 747 . 10 1 1 A 72 72 ILE CA C 72 60.140 60.019 0.121 1
1 748 . 10 1 1 A 72 72 ILE CB C 72 41.920 42.648 -0.728 1
1 752 . 10 1 1 A 72 72 ILE N N 72 124.670 125.184 -0.514 1
1 753 . 10 1 1 A 73 73 LYS H H 73 8.530 8.523 0.007 1
1 754 . 10 1 1 A 73 73 LYS HA H 73 4.810 4.599 0.211 1
1 759 . 10 1 1 A 73 73 LYS C C 73 176.000 177.707 -1.707 1
1 760 . 10 1 1 A 73 73 LYS CA C 73 55.630 56.109 -0.479 1
1 761 . 10 1 1 A 73 73 LYS CB C 73 33.440 33.240 0.200 1
1 765 . 10 1 1 A 73 73 LYS N N 73 128.060 126.485 1.575 1
1 766 . 10 1 1 A 74 74 LEU H H 74 8.900 8.026 0.874 1
1 767 . 10 1 1 A 74 74 LEU HA H 74 4.230 4.375 -0.145 1
1 774 . 10 1 1 A 74 74 LEU C C 74 178.400 176.734 1.666 1
1 775 . 10 1 1 A 74 74 LEU CA C 74 55.520 55.356 0.164 1
1 776 . 10 1 1 A 74 74 LEU CB C 74 42.240 42.324 -0.084 1
1 779 . 10 1 1 A 74 74 LEU N N 74 123.270 122.780 0.490 1
1 780 . 10 1 1 A 75 75 THR H H 75 8.550 9.565 -1.015 1
1 781 . 10 1 1 A 75 75 THR HA H 75 4.680 5.150 -0.470 1
1 786 . 10 1 1 A 75 75 THR C C 75 172.600 172.574 0.026 1
1 787 . 10 1 1 A 75 75 THR CA C 75 59.400 59.335 0.065 1
1 788 . 10 1 1 A 75 75 THR CB C 75 71.300 72.105 -0.805 1
1 790 . 10 1 1 A 75 75 THR N N 75 116.480 114.145 2.335 1
1 791 . 10 1 1 A 76 76 ALA H H 76 8.360 8.586 -0.226 1
1 792 . 10 1 1 A 76 76 ALA HA H 76 4.490 4.490 0.000 1
1 796 . 10 1 1 A 76 76 ALA C C 76 179.100 178.443 0.657 1
1 797 . 10 1 1 A 76 76 ALA CA C 76 51.730 51.756 -0.026 1
1 798 . 10 1 1 A 76 76 ALA CB C 76 18.930 18.842 0.088 1
1 799 . 10 1 1 A 76 76 ALA N N 76 123.400 124.925 -1.525 1
1 800 . 10 1 1 A 77 77 ILE H H 77 8.850 8.791 0.059 1
1 801 . 10 1 1 A 77 77 ILE HA H 77 4.370 4.412 -0.042 1
1 811 . 10 1 1 A 77 77 ILE C C 77 174.900 175.212 -0.312 1
1 812 . 10 1 1 A 77 77 ILE CA C 77 59.850 61.328 -1.478 1
1 813 . 10 1 1 A 77 77 ILE CB C 77 39.200 39.043 0.157 1
1 817 . 10 1 1 A 77 77 ILE N N 77 118.310 119.625 -1.315 1
1 818 . 10 1 1 A 78 78 ASP H H 78 7.580 7.598 -0.018 1
1 819 . 10 1 1 A 78 78 ASP HA H 78 4.670 5.052 -0.382 1
1 822 . 10 1 1 A 78 78 ASP C C 78 177.300 177.014 0.286 1
1 823 . 10 1 1 A 78 78 ASP CA C 78 52.500 52.917 -0.417 1
1 824 . 10 1 1 A 78 78 ASP CB C 78 42.100 43.324 -1.224 1
1 825 . 10 1 1 A 78 78 ASP N N 78 118.160 121.835 -3.675 1
1 826 . 10 1 1 A 79 79 LYS H H 79 8.380 8.758 -0.378 1
1 827 . 10 1 1 A 79 79 LYS HA H 79 4.200 4.065 0.135 1
1 832 . 10 1 1 A 79 79 LYS C C 79 177.200 177.571 -0.371 1
1 833 . 10 1 1 A 79 79 LYS CA C 79 57.620 58.901 -1.281 1
1 834 . 10 1 1 A 79 79 LYS CB C 79 31.940 31.977 -0.037 1
1 838 . 10 1 1 A 79 79 LYS N N 79 117.260 122.388 -5.128 1
1 839 . 10 1 1 A 80 80 LYS H H 80 7.900 7.604 0.296 1
1 840 . 10 1 1 A 80 80 LYS HA H 80 4.350 4.284 0.066 1
1 845 . 10 1 1 A 80 80 LYS C C 80 176.800 176.903 -0.103 1
1 846 . 10 1 1 A 80 80 LYS CA C 80 56.070 55.834 0.236 1
1 847 . 10 1 1 A 80 80 LYS CB C 80 32.430 32.970 -0.540 1
1 851 . 10 1 1 A 80 80 LYS N N 80 118.240 117.935 0.305 1
1 852 . 10 1 1 A 81 81 GLY H H 81 7.850 8.499 -0.649 1
1 853 . 10 1 1 A 81 81 GLY HA2 H 81 4.170 3.908 0.262 1
1 854 . 10 1 1 A 81 81 GLY HA3 H 81 3.520 3.912 -0.392 1
1 855 . 10 1 1 A 81 81 GLY C C 81 173.700 174.720 -1.020 1
1 856 . 10 1 1 A 81 81 GLY CA C 81 45.340 46.443 -1.103 1
1 857 . 10 1 1 A 81 81 GLY N N 81 107.740 108.685 -0.945 1
1 858 . 10 1 1 A 82 82 THR H H 82 8.760 7.996 0.764 1
1 859 . 10 1 1 A 82 82 THR HA H 82 4.060 4.296 -0.236 1
1 864 . 10 1 1 A 82 82 THR CA C 82 61.340 59.975 1.365 1
1 865 . 10 1 1 A 82 82 THR CB C 82 68.440 69.228 -0.788 1
1 867 . 10 1 1 A 82 82 THR N N 82 122.360 116.092 6.268 1
1 868 . 10 1 1 A 83 83 PRO HA H 83 4.760 4.386 0.374 1
1 874 . 10 1 1 A 83 83 PRO C C 83 177.100 176.224 0.876 1
1 875 . 10 1 1 A 83 83 PRO CA C 83 61.750 63.664 -1.914 1
1 876 . 10 1 1 A 83 83 PRO CB C 83 33.000 32.227 0.773 1
1 879 . 10 1 1 A 84 84 GLY H H 84 8.870 8.251 0.619 1
1 880 . 10 1 1 A 84 84 GLY HA2 H 84 4.140 4.279 -0.139 1
1 881 . 10 1 1 A 84 84 GLY C C 84 171.400 173.548 -2.148 1
1 882 . 10 1 1 A 84 84 GLY CA C 84 46.360 45.434 0.926 1
1 883 . 10 1 1 A 84 84 GLY N N 84 104.120 107.854 -3.734 1
1 884 . 10 1 1 A 85 85 ILE H H 85 8.920 8.667 0.253 1
1 885 . 10 1 1 A 85 85 ILE HA H 85 4.570 4.541 0.029 1
1 895 . 10 1 1 A 85 85 ILE C C 85 175.100 175.377 -0.277 1
1 896 . 10 1 1 A 85 85 ILE CA C 85 61.110 60.121 0.989 1
1 897 . 10 1 1 A 85 85 ILE CB C 85 40.020 37.635 2.385 1
1 901 . 10 1 1 A 85 85 ILE N N 85 112.690 120.190 -7.500 1
1 902 . 10 1 1 A 86 86 GLY H H 86 8.980 8.085 0.895 1
1 903 . 10 1 1 A 86 86 GLY HA2 H 86 3.770 3.949 -0.179 1
1 904 . 10 1 1 A 86 86 GLY HA3 H 86 4.160 3.956 0.204 1
1 905 . 10 1 1 A 86 86 GLY C C 86 173.300 173.534 -0.234 1
1 906 . 10 1 1 A 86 86 GLY CA C 86 45.960 46.895 -0.935 1
1 907 . 10 1 1 A 86 86 GLY N N 86 112.050 110.364 1.686 1
1 908 . 10 1 1 A 87 87 ILE H H 87 7.290 7.564 -0.274 1
1 909 . 10 1 1 A 87 87 ILE HA H 87 5.170 4.913 0.257 1
1 918 . 10 1 1 A 87 87 ILE C C 87 174.800 174.702 0.098 1
1 919 . 10 1 1 A 87 87 ILE CA C 87 58.850 58.865 -0.015 1
1 920 . 10 1 1 A 87 87 ILE CB C 87 41.480 42.610 -1.130 1
1 924 . 10 1 1 A 87 87 ILE N N 87 110.880 113.746 -2.866 1
1 925 . 10 1 1 A 88 88 THR H H 88 8.350 8.844 -0.494 1
1 926 . 10 1 1 A 88 88 THR HA H 88 4.580 4.997 -0.417 1
1 931 . 10 1 1 A 88 88 THR C C 88 173.700 172.923 0.777 1
1 932 . 10 1 1 A 88 88 THR CA C 88 61.410 61.929 -0.519 1
1 933 . 10 1 1 A 88 88 THR CB C 88 70.570 71.527 -0.957 1
1 935 . 10 1 1 A 88 88 THR N N 88 116.050 117.167 -1.117 1
1 936 . 10 1 1 A 89 89 LEU H H 89 8.950 9.157 -0.207 1
1 937 . 10 1 1 A 89 89 LEU HA H 89 5.210 5.048 0.162 1
1 944 . 10 1 1 A 89 89 LEU C C 89 176.000 175.846 0.154 1
1 945 . 10 1 1 A 89 89 LEU CA C 89 53.600 53.414 0.186 1
1 946 . 10 1 1 A 89 89 LEU CB C 89 44.840 43.443 1.397 1
1 949 . 10 1 1 A 89 89 LEU N N 89 126.710 128.835 -2.125 1
1 950 . 10 1 1 A 90 90 VAL H H 90 8.820 8.064 0.756 1
1 951 . 10 1 1 A 90 90 VAL HA H 90 4.320 4.509 -0.189 1
1 956 . 10 1 1 A 90 90 VAL C C 90 174.600 174.921 -0.321 1
1 957 . 10 1 1 A 90 90 VAL CA C 90 61.300 59.348 1.952 1
1 958 . 10 1 1 A 90 90 VAL CB C 90 34.850 35.263 -0.413 1
1 961 . 10 1 1 A 90 90 VAL N N 90 117.740 119.154 -1.414 1
1 962 . 10 1 1 A 91 91 ASP H H 91 8.510 9.021 -0.511 1
1 963 . 10 1 1 A 91 91 ASP HA H 91 4.890 4.216 0.674 1
1 965 . 10 1 1 A 91 91 ASP C C 91 176.000 175.574 0.426 1
1 966 . 10 1 1 A 91 91 ASP CA C 91 54.920 56.188 -1.268 1
1 967 . 10 1 1 A 91 91 ASP CB C 91 41.590 41.115 0.475 1
1 968 . 10 1 1 A 91 91 ASP N N 91 123.890 122.441 1.449 1
1 969 . 10 1 1 A 92 92 ASP H H 92 8.390 7.994 0.396 1
1 970 . 10 1 1 A 92 92 ASP HA H 92 4.730 4.904 -0.174 1
1 972 . 10 1 1 A 92 92 ASP C C 92 175.800 174.649 1.151 1
1 973 . 10 1 1 A 92 92 ASP CA C 92 53.890 52.951 0.939 1
1 974 . 10 1 1 A 92 92 ASP CB C 92 41.650 42.529 -0.879 1
1 975 . 10 1 1 A 92 92 ASP N N 92 119.860 113.696 6.164 1
1 976 . 10 1 1 A 93 93 LEU H H 93 8.180 9.216 -1.036 1
1 977 . 10 1 1 A 93 93 LEU HA H 93 4.130 3.975 0.155 1
1 983 . 10 1 1 A 93 93 LEU C C 93 177.700 176.494 1.206 1
1 984 . 10 1 1 A 93 93 LEU CA C 93 55.920 56.229 -0.309 1
1 985 . 10 1 1 A 93 93 LEU CB C 93 42.120 40.519 1.601 1
1 989 . 10 1 1 A 93 93 LEU N N 93 122.430 118.197 4.233 1
1 990 . 10 1 1 A 94 94 GLU H H 94 8.240 8.446 -0.206 1
1 991 . 10 1 1 A 94 94 GLU HA H 94 4.070 3.824 0.246 1
1 995 . 10 1 1 A 94 94 GLU C C 94 176.500 176.687 -0.187 1
1 996 . 10 1 1 A 94 94 GLU CA C 94 56.790 58.378 -1.588 1
1 997 . 10 1 1 A 94 94 GLU CB C 94 29.440 28.138 1.302 1
1 999 . 10 1 1 A 94 94 GLU N N 94 118.890 111.576 7.314 1
1 1000 . 10 1 1 A 95 95 HIS H H 95 8.250 8.423 -0.173 1
1 1001 . 10 1 1 A 95 95 HIS CA C 95 55.680 55.536 0.144 1
1 1002 . 10 1 1 A 95 95 HIS CB C 95 28.300 29.877 -1.577 1
1 1003 . 10 1 1 A 95 95 HIS N N 95 117.130 122.812 -5.682 1
1 1004 . 10 1 1 A 96 96 HIS H H 96 8.440 8.082 0.358 1
1 1005 . 10 1 1 A 96 96 HIS CA C 96 55.550 56.564 -1.014 1
1 1006 . 10 1 1 A 96 96 HIS CB C 96 28.830 28.055 0.775 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 89 1.013 1
2 1 1 1 "RMS(OBS, PRED)" CA 95 0.987 1
3 1 1 1 "RMS(OBS, PRED)" CB 86 1.172 1
4 1 1 1 "RMS(OBS, PRED)" H 92 0.594 1
5 1 1 1 "RMS(OBS, PRED)" HA 96 0.447 1
6 1 1 1 "RMS(OBS, PRED)" N 91 3.461 1
7 1 2 1 "RMS(OBS, PRED)" C 89 1.021 1
8 1 2 1 "RMS(OBS, PRED)" CA 95 1.123 1
9 1 2 1 "RMS(OBS, PRED)" CB 86 1.369 1
10 1 2 1 "RMS(OBS, PRED)" H 92 0.557 1
11 1 2 1 "RMS(OBS, PRED)" HA 96 0.419 1
12 1 2 1 "RMS(OBS, PRED)" N 91 3.639 1
13 1 3 1 "RMS(OBS, PRED)" C 89 1.076 1
14 1 3 1 "RMS(OBS, PRED)" CA 95 1.110 1
15 1 3 1 "RMS(OBS, PRED)" CB 86 1.284 1
16 1 3 1 "RMS(OBS, PRED)" H 92 0.487 1
17 1 3 1 "RMS(OBS, PRED)" HA 96 0.412 1
18 1 3 1 "RMS(OBS, PRED)" N 91 2.880 1
19 1 4 1 "RMS(OBS, PRED)" C 89 1.145 1
20 1 4 1 "RMS(OBS, PRED)" CA 95 1.344 1
21 1 4 1 "RMS(OBS, PRED)" CB 86 1.358 1
22 1 4 1 "RMS(OBS, PRED)" H 92 0.535 1
23 1 4 1 "RMS(OBS, PRED)" HA 96 0.379 1
24 1 4 1 "RMS(OBS, PRED)" N 91 3.019 1
25 1 5 1 "RMS(OBS, PRED)" C 89 1.012 1
26 1 5 1 "RMS(OBS, PRED)" CA 95 1.058 1
27 1 5 1 "RMS(OBS, PRED)" CB 86 1.231 1
28 1 5 1 "RMS(OBS, PRED)" H 92 0.576 1
29 1 5 1 "RMS(OBS, PRED)" HA 96 0.390 1
30 1 5 1 "RMS(OBS, PRED)" N 91 3.328 1
31 1 6 1 "RMS(OBS, PRED)" C 89 1.222 1
32 1 6 1 "RMS(OBS, PRED)" CA 95 1.189 1
33 1 6 1 "RMS(OBS, PRED)" CB 86 1.207 1
34 1 6 1 "RMS(OBS, PRED)" H 92 0.501 1
35 1 6 1 "RMS(OBS, PRED)" HA 96 0.398 1
36 1 6 1 "RMS(OBS, PRED)" N 91 3.367 1
37 1 7 1 "RMS(OBS, PRED)" C 89 1.087 1
38 1 7 1 "RMS(OBS, PRED)" CA 95 1.344 1
39 1 7 1 "RMS(OBS, PRED)" CB 86 1.224 1
40 1 7 1 "RMS(OBS, PRED)" H 92 0.560 1
41 1 7 1 "RMS(OBS, PRED)" HA 96 0.415 1
42 1 7 1 "RMS(OBS, PRED)" N 91 3.241 1
43 1 8 1 "RMS(OBS, PRED)" C 89 1.078 1
44 1 8 1 "RMS(OBS, PRED)" CA 95 1.061 1
45 1 8 1 "RMS(OBS, PRED)" CB 86 1.199 1
46 1 8 1 "RMS(OBS, PRED)" H 92 0.545 1
47 1 8 1 "RMS(OBS, PRED)" HA 96 0.380 1
48 1 8 1 "RMS(OBS, PRED)" N 91 3.438 1
49 1 9 1 "RMS(OBS, PRED)" C 89 1.204 1
50 1 9 1 "RMS(OBS, PRED)" CA 95 1.215 1
51 1 9 1 "RMS(OBS, PRED)" CB 86 1.393 1
52 1 9 1 "RMS(OBS, PRED)" H 92 0.511 1
53 1 9 1 "RMS(OBS, PRED)" HA 96 0.374 1
54 1 9 1 "RMS(OBS, PRED)" N 91 3.404 1
55 1 10 1 "RMS(OBS, PRED)" C 89 0.989 1
56 1 10 1 "RMS(OBS, PRED)" CA 95 1.099 1
57 1 10 1 "RMS(OBS, PRED)" CB 86 1.276 1
58 1 10 1 "RMS(OBS, PRED)" H 92 0.541 1
59 1 10 1 "RMS(OBS, PRED)" HA 96 0.391 1
60 1 10 1 "RMS(OBS, PRED)" N 91 3.287 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 5 . 1 1 A 2 2 VAL HA H 2 3.810 4.005 -0.196 2
1 10 . 1 1 A 2 2 VAL C C 2 171.900 175.957 -4.057 2
1 11 . 1 1 A 2 2 VAL CA C 2 61.200 63.450 -2.250 2
1 12 . 1 1 A 2 2 VAL CB C 2 32.900 31.743 1.157 2
1 14 . 1 1 A 3 3 LYS H H 3 8.620 8.098 0.522 2
1 15 . 1 1 A 3 3 LYS HA H 3 4.400 4.370 0.030 2
1 19 . 1 1 A 3 3 LYS C C 3 175.800 176.141 -0.341 2
1 20 . 1 1 A 3 3 LYS CA C 3 56.240 56.697 -0.457 2
1 21 . 1 1 A 3 3 LYS CB C 3 33.190 33.243 -0.053 2
1 25 . 1 1 A 3 3 LYS N N 3 126.140 123.217 2.923 2
1 26 . 1 1 A 4 4 VAL H H 4 8.350 8.122 0.228 2
1 30 . 1 1 A 4 4 VAL C C 4 175.600 175.860 -0.260 2
1 31 . 1 1 A 4 4 VAL CA C 4 62.200 62.604 -0.404 2
1 32 . 1 1 A 4 4 VAL CB C 4 33.060 32.231 0.829 2
1 34 . 1 1 A 4 4 VAL N N 4 123.850 120.962 2.888 2
1 35 . 1 1 A 5 5 THR H H 5 8.100 8.231 -0.131 2
1 36 . 1 1 A 5 5 THR HA H 5 4.060 4.277 -0.217 2
1 41 . 1 1 A 5 5 THR C C 5 173.400 174.121 -0.721 2
1 42 . 1 1 A 5 5 THR CA C 5 61.220 63.659 -2.439 2
1 43 . 1 1 A 5 5 THR CB C 5 70.100 69.528 0.573 2
1 45 . 1 1 A 5 5 THR N N 5 118.630 118.520 0.110 2
1 46 . 1 1 A 6 6 TYR H H 6 8.300 8.245 0.055 2
1 51 . 1 1 A 6 6 TYR C C 6 175.400 174.864 0.536 2
1 52 . 1 1 A 6 6 TYR CA C 6 57.480 58.759 -1.279 2
1 53 . 1 1 A 6 6 TYR CB C 6 39.400 38.610 0.790 2
1 56 . 1 1 A 6 6 TYR N N 6 123.230 120.980 2.250 2
1 57 . 1 1 A 7 7 ASP H H 7 8.560 8.462 0.098 2
1 58 . 1 1 A 7 7 ASP HA H 7 4.670 4.957 -0.287 2
1 60 . 1 1 A 7 7 ASP C C 7 175.100 175.276 -0.177 2
1 61 . 1 1 A 7 7 ASP CA C 7 54.400 53.797 0.603 2
1 62 . 1 1 A 7 7 ASP CB C 7 41.250 42.169 -0.919 2
1 63 . 1 1 A 7 7 ASP N N 7 122.230 120.896 1.334 2
1 64 . 1 1 A 8 8 GLY H H 8 7.610 8.173 -0.563 2
1 65 . 1 1 A 8 8 GLY HA2 H 8 3.930 4.061 -0.131 2
1 66 . 1 1 A 8 8 GLY HA3 H 8 4.140 4.094 0.046 2
1 67 . 1 1 A 8 8 GLY C C 8 171.900 172.215 -0.315 2
1 68 . 1 1 A 8 8 GLY CA C 8 44.940 45.432 -0.492 2
1 69 . 1 1 A 8 8 GLY N N 8 106.550 108.954 -2.404 2
1 70 . 1 1 A 9 9 VAL H H 9 8.050 8.321 -0.271 2
1 71 . 1 1 A 9 9 VAL HA H 9 4.520 4.857 -0.337 2
1 79 . 1 1 A 9 9 VAL C C 9 173.700 174.122 -0.422 2
1 80 . 1 1 A 9 9 VAL CA C 9 59.940 59.959 -0.019 2
1 81 . 1 1 A 9 9 VAL CB C 9 33.470 34.365 -0.895 2
1 84 . 1 1 A 9 9 VAL N N 9 115.200 118.275 -3.075 2
1 85 . 1 1 A 10 10 TYR H H 10 8.720 8.811 -0.091 2
1 89 . 1 1 A 10 10 TYR C C 10 175.700 175.548 0.152 2
1 90 . 1 1 A 10 10 TYR CA C 10 57.730 57.532 0.198 2
1 91 . 1 1 A 10 10 TYR CB C 10 41.210 39.961 1.250 2
1 94 . 1 1 A 10 10 TYR N N 10 122.700 126.353 -3.653 2
1 95 . 1 1 A 11 11 VAL H H 11 8.810 8.761 0.049 2
1 96 . 1 1 A 11 11 VAL HA H 11 3.880 4.232 -0.352 2
1 104 . 1 1 A 11 11 VAL C C 11 175.700 175.851 -0.151 2
1 105 . 1 1 A 11 11 VAL CA C 11 62.810 62.662 0.148 2
1 106 . 1 1 A 11 11 VAL CB C 11 31.920 32.521 -0.601 2
1 109 . 1 1 A 11 11 VAL N N 11 121.170 124.278 -3.108 2
1 110 . 1 1 A 12 12 LEU H H 12 9.390 9.138 0.252 2
1 111 . 1 1 A 12 12 LEU HA H 12 4.350 4.339 0.011 2
1 120 . 1 1 A 12 12 LEU CA C 12 56.560 56.857 -0.297 2
1 121 . 1 1 A 12 12 LEU CB C 12 43.120 42.839 0.281 2
1 125 . 1 1 A 12 12 LEU N N 12 133.040 129.610 3.430 2
1 126 . 1 1 A 13 13 SER H H 13 7.490 7.574 -0.084 2
1 127 . 1 1 A 13 13 SER HA H 13 3.700 4.740 -1.040 2
1 129 . 1 1 A 13 13 SER C C 13 171.100 171.980 -0.880 2
1 130 . 1 1 A 13 13 SER CA C 13 56.890 57.566 -0.676 2
1 131 . 1 1 A 13 13 SER CB C 13 65.220 65.588 -0.368 2
1 132 . 1 1 A 13 13 SER N N 13 109.070 110.715 -1.645 2
1 133 . 1 1 A 14 14 VAL H H 14 8.380 8.630 -0.250 2
1 134 . 1 1 A 14 14 VAL HA H 14 4.360 4.642 -0.282 2
1 142 . 1 1 A 14 14 VAL C C 14 175.500 175.341 0.159 2
1 143 . 1 1 A 14 14 VAL CA C 14 61.270 60.749 0.521 2
1 144 . 1 1 A 14 14 VAL CB C 14 34.620 34.618 0.002 2
1 147 . 1 1 A 14 14 VAL N N 14 121.190 121.880 -0.690 2
1 148 . 1 1 A 15 15 LYS H H 15 7.920 8.614 -0.694 2
1 149 . 1 1 A 15 15 LYS HA H 15 4.180 4.283 -0.103 2
1 154 . 1 1 A 15 15 LYS C C 15 175.600 176.729 -1.129 2
1 155 . 1 1 A 15 15 LYS CA C 15 57.150 57.013 0.137 2
1 156 . 1 1 A 15 15 LYS CB C 15 33.730 32.887 0.843 2
1 160 . 1 1 A 15 15 LYS N N 15 126.860 127.043 -0.183 2
1 161 . 1 1 A 16 16 GLU H H 16 8.200 8.476 -0.276 2
1 162 . 1 1 A 16 16 GLU HA H 16 4.240 4.412 -0.172 2
1 165 . 1 1 A 16 16 GLU C C 16 177.000 175.890 1.110 2
1 166 . 1 1 A 16 16 GLU CA C 16 56.720 56.679 0.041 2
1 167 . 1 1 A 16 16 GLU CB C 16 30.090 29.642 0.448 2
1 169 . 1 1 A 16 16 GLU N N 16 117.010 121.409 -4.399 2
1 170 . 1 1 A 17 17 ASP H H 17 8.910 8.262 0.648 2
1 171 . 1 1 A 17 17 ASP HA H 17 4.420 4.727 -0.307 2
1 173 . 1 1 A 17 17 ASP C C 17 174.500 175.116 -0.616 2
1 174 . 1 1 A 17 17 ASP CA C 17 54.540 54.000 0.540 2
1 175 . 1 1 A 17 17 ASP CB C 17 38.700 40.960 -2.260 2
1 176 . 1 1 A 17 17 ASP N N 17 116.410 119.889 -3.479 2
1 177 . 1 1 A 18 18 VAL H H 18 6.670 7.507 -0.837 2
1 178 . 1 1 A 18 18 VAL HA H 18 4.840 4.650 0.190 2
1 183 . 1 1 A 18 18 VAL CA C 18 58.350 58.626 -0.276 2
1 184 . 1 1 A 18 18 VAL CB C 18 32.330 33.721 -1.391 2
1 186 . 1 1 A 18 18 VAL N N 18 108.460 116.049 -7.589 2
1 187 . 1 1 A 19 19 PRO HA H 19 4.260 4.284 -0.024 2
1 193 . 1 1 A 19 19 PRO C C 19 177.600 177.243 0.357 2
1 194 . 1 1 A 19 19 PRO CA C 19 65.900 65.158 0.742 2
1 195 . 1 1 A 19 19 PRO CB C 19 33.200 31.746 1.454 2
1 198 . 1 1 A 20 20 ALA H H 20 8.270 8.008 0.262 2
1 199 . 1 1 A 20 20 ALA HA H 20 3.930 4.157 -0.227 2
1 203 . 1 1 A 20 20 ALA C C 20 177.100 178.002 -0.902 2
1 204 . 1 1 A 20 20 ALA CA C 20 53.150 54.181 -1.031 2
1 205 . 1 1 A 20 20 ALA CB C 20 19.850 18.682 1.168 2
1 206 . 1 1 A 20 20 ALA N N 20 112.780 118.786 -6.006 2
1 207 . 1 1 A 21 21 ALA H H 21 7.880 7.996 -0.116 2
1 208 . 1 1 A 21 21 ALA HA H 21 4.040 4.046 -0.006 2
1 212 . 1 1 A 21 21 ALA C C 21 178.500 178.454 0.046 2
1 213 . 1 1 A 21 21 ALA CA C 21 54.210 53.785 0.425 2
1 214 . 1 1 A 21 21 ALA CB C 21 18.010 18.411 -0.401 2
1 215 . 1 1 A 21 21 ALA N N 21 122.260 120.941 1.319 2
1 216 . 1 1 A 22 22 GLY H H 22 8.970 8.760 0.210 2
1 217 . 1 1 A 22 22 GLY HA2 H 22 4.120 3.977 0.143 2
1 218 . 1 1 A 22 22 GLY HA3 H 22 3.670 3.997 -0.327 2
1 219 . 1 1 A 22 22 GLY C C 22 173.300 174.051 -0.751 2
1 220 . 1 1 A 22 22 GLY CA C 22 45.210 45.354 -0.144 2
1 221 . 1 1 A 22 22 GLY N N 22 110.560 111.120 -0.560 2
1 222 . 1 1 A 23 23 ILE H H 23 7.700 7.860 -0.160 2
1 223 . 1 1 A 23 23 ILE HA H 23 3.950 4.263 -0.313 2
1 233 . 1 1 A 23 23 ILE C C 23 175.300 175.472 -0.172 2
1 234 . 1 1 A 23 23 ILE CA C 23 62.530 62.614 -0.084 2
1 235 . 1 1 A 23 23 ILE CB C 23 40.040 40.371 -0.331 2
1 239 . 1 1 A 23 23 ILE N N 23 120.200 118.029 2.171 2
1 240 . 1 1 A 24 24 LEU H H 24 7.480 7.562 -0.082 2
1 241 . 1 1 A 24 24 LEU HA H 24 4.250 4.540 -0.290 2
1 248 . 1 1 A 24 24 LEU C C 24 174.000 175.277 -1.277 2
1 249 . 1 1 A 24 24 LEU CA C 24 52.990 53.228 -0.238 2
1 250 . 1 1 A 24 24 LEU CB C 24 44.740 44.560 0.179 2
1 253 . 1 1 A 24 24 LEU N N 24 116.660 118.632 -1.972 2
1 254 . 1 1 A 25 25 HIS H H 25 8.280 8.618 -0.338 2
1 255 . 1 1 A 25 25 HIS HA H 25 4.570 5.109 -0.539 2
1 259 . 1 1 A 25 25 HIS C C 25 173.400 173.625 -0.225 2
1 260 . 1 1 A 25 25 HIS CA C 25 54.370 54.264 0.106 2
1 261 . 1 1 A 25 25 HIS CB C 25 32.150 33.015 -0.865 2
1 263 . 1 1 A 25 25 HIS N N 25 115.300 121.003 -5.703 2
1 264 . 1 1 A 26 26 ALA H H 26 8.900 8.293 0.607 2
1 265 . 1 1 A 26 26 ALA HA H 26 3.730 3.801 -0.071 2
1 269 . 1 1 A 26 26 ALA C C 26 178.500 178.160 0.340 2
1 270 . 1 1 A 26 26 ALA CA C 26 53.740 53.666 0.074 2
1 271 . 1 1 A 26 26 ALA CB C 26 18.400 18.510 -0.110 2
1 272 . 1 1 A 26 26 ALA N N 26 124.340 125.010 -0.670 2
1 273 . 1 1 A 27 27 GLY H H 27 9.430 8.746 0.684 2
1 274 . 1 1 A 27 27 GLY HA2 H 27 4.500 3.901 0.599 2
1 275 . 1 1 A 27 27 GLY HA3 H 27 3.620 4.001 -0.381 2
1 276 . 1 1 A 27 27 GLY C C 27 174.500 174.114 0.386 2
1 277 . 1 1 A 27 27 GLY CA C 27 44.900 44.997 -0.097 2
1 278 . 1 1 A 27 27 GLY N N 27 113.020 110.350 2.670 2
1 279 . 1 1 A 28 28 ASP H H 28 8.150 7.792 0.358 2
1 280 . 1 1 A 28 28 ASP HA H 28 5.000 4.684 0.316 2
1 282 . 1 1 A 28 28 ASP C C 28 173.800 175.335 -1.535 2
1 283 . 1 1 A 28 28 ASP CA C 28 55.510 54.344 1.166 2
1 284 . 1 1 A 28 28 ASP CB C 28 41.190 41.382 -0.192 2
1 285 . 1 1 A 28 28 ASP N N 28 121.760 121.732 0.028 2
1 286 . 1 1 A 29 29 LEU H H 29 8.000 8.772 -0.772 2
1 287 . 1 1 A 29 29 LEU HA H 29 4.640 5.024 -0.384 2
1 294 . 1 1 A 29 29 LEU C C 29 176.300 175.803 0.497 2
1 295 . 1 1 A 29 29 LEU CA C 29 53.120 53.511 -0.391 2
1 296 . 1 1 A 29 29 LEU CB C 29 45.320 43.328 1.991 2
1 299 . 1 1 A 29 29 LEU N N 29 122.000 124.877 -2.877 2
1 300 . 1 1 A 30 30 ILE H H 30 9.210 8.660 0.550 2
1 301 . 1 1 A 30 30 ILE HA H 30 4.360 4.305 0.055 2
1 310 . 1 1 A 30 30 ILE C C 30 175.800 177.114 -1.315 2
1 311 . 1 1 A 30 30 ILE CA C 30 61.200 61.480 -0.280 2
1 312 . 1 1 A 30 30 ILE CB C 30 38.080 37.533 0.547 2
1 316 . 1 1 A 30 30 ILE N N 30 126.210 125.419 0.791 2
1 317 . 1 1 A 31 31 THR H H 31 8.790 9.183 -0.393 2
1 318 . 1 1 A 31 31 THR HA H 31 4.230 4.489 -0.259 2
1 323 . 1 1 A 31 31 THR C C 31 175.900 174.643 1.257 2
1 324 . 1 1 A 31 31 THR CA C 31 62.260 62.493 -0.233 2
1 325 . 1 1 A 31 31 THR CB C 31 69.320 69.364 -0.044 2
1 327 . 1 1 A 31 31 THR N N 31 117.100 119.423 -2.323 2
1 328 . 1 1 A 32 32 GLU H H 32 7.790 7.436 0.355 2
1 329 . 1 1 A 32 32 GLU HA H 32 5.080 4.776 0.304 2
1 333 . 1 1 A 32 32 GLU C C 32 174.700 174.107 0.593 2
1 334 . 1 1 A 32 32 GLU CA C 32 55.870 55.873 -0.003 2
1 335 . 1 1 A 32 32 GLU CB C 32 35.300 33.285 2.014 2
1 337 . 1 1 A 32 32 GLU N N 32 120.420 119.588 0.832 2
1 338 . 1 1 A 33 33 ILE H H 33 8.770 8.629 0.141 2
1 339 . 1 1 A 33 33 ILE HA H 33 5.220 4.541 0.679 2
1 348 . 1 1 A 33 33 ILE C C 33 174.200 175.156 -0.956 2
1 349 . 1 1 A 33 33 ILE CA C 33 59.380 59.897 -0.517 2
1 350 . 1 1 A 33 33 ILE CB C 33 41.120 40.590 0.530 2
1 354 . 1 1 A 33 33 ILE N N 33 119.470 123.598 -4.128 2
1 355 . 1 1 A 34 34 ASP H H 34 10.100 9.306 0.794 2
1 356 . 1 1 A 34 34 ASP HA H 34 4.430 4.269 0.161 2
1 359 . 1 1 A 34 34 ASP C C 34 176.200 175.607 0.593 2
1 360 . 1 1 A 34 34 ASP CA C 34 55.530 55.125 0.405 2
1 361 . 1 1 A 34 34 ASP CB C 34 39.000 39.578 -0.578 2
1 362 . 1 1 A 34 34 ASP N N 34 128.840 128.688 0.152 2
1 363 . 1 1 A 35 35 GLY H H 35 8.860 8.576 0.284 2
1 364 . 1 1 A 35 35 GLY HA2 H 35 3.630 3.818 -0.188 2
1 365 . 1 1 A 35 35 GLY HA3 H 35 3.970 3.833 0.137 2
1 366 . 1 1 A 35 35 GLY C C 35 173.900 173.848 0.052 2
1 367 . 1 1 A 35 35 GLY CA C 35 45.580 45.588 -0.008 2
1 368 . 1 1 A 35 35 GLY N N 35 103.110 104.545 -1.435 2
1 369 . 1 1 A 36 36 GLN H H 36 8.070 8.173 -0.103 2
1 370 . 1 1 A 36 36 GLN HA H 36 4.240 4.640 -0.400 2
1 374 . 1 1 A 36 36 GLN C C 36 174.200 175.124 -0.924 2
1 375 . 1 1 A 36 36 GLN CA C 36 54.250 54.595 -0.345 2
1 376 . 1 1 A 36 36 GLN CB C 36 30.870 30.993 -0.123 2
1 378 . 1 1 A 36 36 GLN N N 36 119.670 119.251 0.419 2
1 379 . 1 1 A 37 37 SER H H 37 8.290 8.554 -0.264 2
1 380 . 1 1 A 37 37 SER HA H 37 3.750 4.315 -0.565 2
1 382 . 1 1 A 37 37 SER C C 37 173.500 173.705 -0.205 2
1 383 . 1 1 A 37 37 SER CA C 37 56.280 58.282 -2.002 2
1 384 . 1 1 A 37 37 SER CB C 37 63.630 63.084 0.546 2
1 385 . 1 1 A 37 37 SER N N 37 118.770 116.556 2.214 2
1 386 . 1 1 A 38 38 PHE H H 38 6.960 7.972 -1.012 2
1 387 . 1 1 A 38 38 PHE HA H 38 3.090 4.700 -1.610 2
1 391 . 1 1 A 38 38 PHE C C 38 175.600 175.411 0.189 2
1 392 . 1 1 A 38 38 PHE CA C 38 56.590 58.133 -1.543 2
1 393 . 1 1 A 38 38 PHE CB C 38 40.910 39.673 1.237 2
1 396 . 1 1 A 38 38 PHE N N 38 120.740 121.167 -0.427 2
1 397 . 1 1 A 39 39 LYS H H 39 8.740 8.527 0.213 2
1 398 . 1 1 A 39 39 LYS HA H 39 4.160 4.280 -0.120 2
1 402 . 1 1 A 39 39 LYS C C 39 175.500 175.815 -0.315 2
1 403 . 1 1 A 39 39 LYS CA C 39 56.500 57.513 -1.013 2
1 404 . 1 1 A 39 39 LYS CB C 39 33.210 33.034 0.176 2
1 408 . 1 1 A 39 39 LYS N N 39 118.100 120.723 -2.623 2
1 409 . 1 1 A 40 40 SER H H 40 7.480 8.000 -0.520 2
1 410 . 1 1 A 40 40 SER HA H 40 3.830 4.663 -0.833 2
1 412 . 1 1 A 40 40 SER C C 40 174.800 174.782 0.018 2
1 413 . 1 1 A 40 40 SER CA C 40 56.380 57.646 -1.266 2
1 414 . 1 1 A 40 40 SER CB C 40 66.790 64.568 2.222 2
1 415 . 1 1 A 40 40 SER N N 40 111.180 114.207 -3.027 2
1 416 . 1 1 A 41 41 SER H H 41 10.310 9.007 1.303 2
1 417 . 1 1 A 41 41 SER HA H 41 3.780 4.188 -0.408 2
1 419 . 1 1 A 41 41 SER C C 41 176.300 176.617 -0.317 2
1 420 . 1 1 A 41 41 SER CA C 41 62.530 61.747 0.783 2
1 421 . 1 1 A 41 41 SER CB C 41 66.770 62.750 4.020 2
1 422 . 1 1 A 41 41 SER N N 41 121.470 120.070 1.400 2
1 423 . 1 1 A 42 42 GLN H H 42 8.510 8.002 0.508 2
1 424 . 1 1 A 42 42 GLN HA H 42 3.830 4.011 -0.181 2
1 426 . 1 1 A 42 42 GLN C C 42 177.300 178.636 -1.335 2
1 427 . 1 1 A 42 42 GLN CA C 42 58.480 59.067 -0.587 2
1 428 . 1 1 A 42 42 GLN CB C 42 28.450 28.373 0.077 2
1 430 . 1 1 A 42 42 GLN N N 42 121.500 121.250 0.250 2
1 431 . 1 1 A 43 43 GLU H H 43 7.470 8.199 -0.729 2
1 432 . 1 1 A 43 43 GLU HA H 43 3.840 4.148 -0.308 2
1 434 . 1 1 A 43 43 GLU C C 43 179.200 178.983 0.217 2
1 435 . 1 1 A 43 43 GLU CA C 43 59.110 59.152 -0.042 2
1 436 . 1 1 A 43 43 GLU CB C 43 29.990 29.372 0.619 2
1 438 . 1 1 A 43 43 GLU N N 43 116.740 119.291 -2.551 2
1 439 . 1 1 A 44 44 PHE H H 44 7.320 8.257 -0.937 2
1 440 . 1 1 A 44 44 PHE HA H 44 3.630 4.118 -0.488 2
1 444 . 1 1 A 44 44 PHE C C 44 176.800 176.974 -0.174 2
1 445 . 1 1 A 44 44 PHE CA C 44 62.270 61.304 0.966 2
1 446 . 1 1 A 44 44 PHE CB C 44 39.920 39.007 0.913 2
1 449 . 1 1 A 44 44 PHE N N 44 118.660 121.461 -2.801 2
1 450 . 1 1 A 45 45 ILE H H 45 8.120 8.354 -0.234 2
1 451 . 1 1 A 45 45 ILE HA H 45 3.390 3.492 -0.102 2
1 461 . 1 1 A 45 45 ILE C C 45 177.600 177.761 -0.161 2
1 462 . 1 1 A 45 45 ILE CA C 45 64.000 64.957 -0.957 2
1 463 . 1 1 A 45 45 ILE CB C 45 37.440 37.386 0.054 2
1 467 . 1 1 A 45 45 ILE N N 45 119.470 120.284 -0.814 2
1 468 . 1 1 A 46 46 ASP H H 46 8.590 7.926 0.663 2
1 469 . 1 1 A 46 46 ASP HA H 46 4.180 4.288 -0.108 2
1 471 . 1 1 A 46 46 ASP C C 46 178.900 177.962 0.939 2
1 472 . 1 1 A 46 46 ASP CA C 46 57.000 57.192 -0.192 2
1 473 . 1 1 A 46 46 ASP CB C 46 39.350 40.388 -1.038 2
1 474 . 1 1 A 46 46 ASP N N 46 119.870 121.816 -1.946 2
1 475 . 1 1 A 47 47 TYR H H 47 7.530 7.894 -0.364 2
1 476 . 1 1 A 47 47 TYR HA H 47 4.090 4.191 -0.101 2
1 480 . 1 1 A 47 47 TYR C C 47 179.500 177.178 2.322 2
1 481 . 1 1 A 47 47 TYR CA C 47 61.960 61.268 0.692 2
1 482 . 1 1 A 47 47 TYR CB C 47 38.350 38.617 -0.266 2
1 485 . 1 1 A 47 47 TYR N N 47 120.170 121.947 -1.777 2
1 486 . 1 1 A 48 48 ILE H H 48 8.020 7.745 0.275 2
1 487 . 1 1 A 48 48 ILE HA H 48 3.200 3.458 -0.258 2
1 497 . 1 1 A 48 48 ILE C C 48 177.000 177.862 -0.862 2
1 498 . 1 1 A 48 48 ILE CA C 48 65.450 64.900 0.550 2
1 499 . 1 1 A 48 48 ILE CB C 48 36.770 37.477 -0.707 2
1 503 . 1 1 A 48 48 ILE N N 48 122.120 119.526 2.594 2
1 504 . 1 1 A 49 49 HIS H H 49 8.250 7.473 0.777 2
1 505 . 1 1 A 49 49 HIS HA H 49 4.490 4.248 0.242 2
1 507 . 1 1 A 49 49 HIS C C 49 174.300 176.791 -2.491 2
1 508 . 1 1 A 49 49 HIS CA C 49 55.550 59.009 -3.459 2
1 509 . 1 1 A 49 49 HIS CB C 49 28.650 29.771 -1.121 2
1 510 . 1 1 A 49 49 HIS N N 49 112.280 119.969 -7.689 2
1 511 . 1 1 A 50 50 SER H H 50 7.700 7.521 0.179 2
1 512 . 1 1 A 50 50 SER HA H 50 3.970 4.287 -0.317 2
1 514 . 1 1 A 50 50 SER C C 50 174.300 174.052 0.248 2
1 515 . 1 1 A 50 50 SER CA C 50 59.300 59.080 0.220 2
1 516 . 1 1 A 50 50 SER CB C 50 63.840 63.233 0.607 2
1 517 . 1 1 A 50 50 SER N N 50 115.110 113.213 1.897 2
1 518 . 1 1 A 51 51 LYS H H 51 7.060 7.471 -0.411 2
1 519 . 1 1 A 51 51 LYS HA H 51 4.320 4.576 -0.256 2
1 527 . 1 1 A 51 51 LYS C C 51 173.100 175.407 -2.307 2
1 528 . 1 1 A 51 51 LYS CA C 51 53.730 55.099 -1.369 2
1 529 . 1 1 A 51 51 LYS CB C 51 31.350 34.329 -2.979 2
1 533 . 1 1 A 51 51 LYS N N 51 123.340 120.874 2.466 2
1 534 . 1 1 A 52 52 LYS H H 52 8.250 8.445 -0.195 2
1 535 . 1 1 A 52 52 LYS HA H 52 4.610 4.806 -0.196 2
1 540 . 1 1 A 52 52 LYS C C 52 177.000 176.241 0.759 2
1 541 . 1 1 A 52 52 LYS CA C 52 54.060 54.597 -0.537 2
1 542 . 1 1 A 52 52 LYS CB C 52 34.900 35.519 -0.619 2
1 546 . 1 1 A 52 52 LYS N N 52 115.990 120.501 -4.511 2
1 547 . 1 1 A 53 53 VAL H H 53 8.520 8.538 -0.018 2
1 548 . 1 1 A 53 53 VAL HA H 53 3.050 3.592 -0.542 2
1 556 . 1 1 A 53 53 VAL C C 53 177.200 177.112 0.088 2
1 557 . 1 1 A 53 53 VAL CA C 53 66.270 65.532 0.738 2
1 558 . 1 1 A 53 53 VAL CB C 53 31.290 31.401 -0.111 2
1 561 . 1 1 A 53 53 VAL N N 53 120.780 122.412 -1.632 2
1 562 . 1 1 A 54 54 GLY H H 54 8.310 8.774 -0.464 2
1 563 . 1 1 A 54 54 GLY HA2 H 54 3.520 4.007 -0.487 2
1 564 . 1 1 A 54 54 GLY HA3 H 54 4.520 4.010 0.510 2
1 565 . 1 1 A 54 54 GLY C C 54 174.500 174.106 0.394 2
1 566 . 1 1 A 54 54 GLY CA C 54 45.010 44.940 0.070 2
1 567 . 1 1 A 54 54 GLY N N 54 116.140 115.476 0.664 2
1 568 . 1 1 A 55 55 ASP H H 55 8.110 7.733 0.377 2
1 569 . 1 1 A 55 55 ASP HA H 55 4.710 4.697 0.013 2
1 572 . 1 1 A 55 55 ASP C C 55 175.000 175.444 -0.444 2
1 573 . 1 1 A 55 55 ASP CA C 55 54.950 54.743 0.207 2
1 574 . 1 1 A 55 55 ASP CB C 55 41.300 42.122 -0.822 2
1 575 . 1 1 A 55 55 ASP N N 55 121.670 121.714 -0.044 2
1 576 . 1 1 A 56 56 THR H H 56 8.670 8.530 0.140 2
1 577 . 1 1 A 56 56 THR HA H 56 3.920 4.952 -1.032 2
1 582 . 1 1 A 56 56 THR C C 56 175.200 173.433 1.767 2
1 583 . 1 1 A 56 56 THR CA C 56 62.350 61.077 1.273 2
1 584 . 1 1 A 56 56 THR CB C 56 70.380 71.106 -0.726 2
1 586 . 1 1 A 56 56 THR N N 56 115.670 115.037 0.633 2
1 587 . 1 1 A 57 57 VAL H H 57 8.990 8.727 0.263 2
1 588 . 1 1 A 57 57 VAL HA H 57 5.190 5.056 0.134 2
1 596 . 1 1 A 57 57 VAL C C 57 173.900 173.772 0.128 2
1 597 . 1 1 A 57 57 VAL CA C 57 58.570 59.441 -0.871 2
1 598 . 1 1 A 57 57 VAL CB C 57 34.480 35.978 -1.498 2
1 601 . 1 1 A 57 57 VAL N N 57 119.230 121.351 -2.121 2
1 602 . 1 1 A 58 58 LYS H H 58 9.000 8.880 0.120 2
1 603 . 1 1 A 58 58 LYS HA H 58 5.170 5.062 0.108 2
1 608 . 1 1 A 58 58 LYS C C 58 176.400 174.805 1.595 2
1 609 . 1 1 A 58 58 LYS CA C 58 54.990 54.950 0.040 2
1 610 . 1 1 A 58 58 LYS CB C 58 33.510 34.696 -1.186 2
1 614 . 1 1 A 58 58 LYS N N 58 123.700 123.921 -0.221 2
1 615 . 1 1 A 59 59 ILE H H 59 9.460 8.938 0.521 2
1 616 . 1 1 A 59 59 ILE HA H 59 5.100 4.920 0.180 2
1 626 . 1 1 A 59 59 ILE C C 59 175.100 174.582 0.518 2
1 627 . 1 1 A 59 59 ILE CA C 59 59.940 59.999 -0.059 2
1 628 . 1 1 A 59 59 ILE CB C 59 41.740 40.780 0.960 2
1 632 . 1 1 A 59 59 ILE N N 59 125.190 126.865 -1.675 2
1 633 . 1 1 A 60 60 LYS H H 60 8.780 8.610 0.170 2
1 634 . 1 1 A 60 60 LYS HA H 60 5.210 5.170 0.040 2
1 639 . 1 1 A 60 60 LYS C C 60 175.000 174.751 0.249 2
1 640 . 1 1 A 60 60 LYS CA C 60 55.910 54.741 1.169 2
1 641 . 1 1 A 60 60 LYS CB C 60 34.340 35.320 -0.980 2
1 645 . 1 1 A 60 60 LYS N N 60 126.140 127.595 -1.455 2
1 646 . 1 1 A 61 61 TYR H H 61 8.660 8.378 0.282 2
1 647 . 1 1 A 61 61 TYR HA H 61 5.680 5.438 0.242 2
1 651 . 1 1 A 61 61 TYR CA C 61 55.090 55.815 -0.725 2
1 652 . 1 1 A 61 61 TYR CB C 61 41.640 42.048 -0.408 2
1 655 . 1 1 A 61 61 TYR N N 61 120.100 122.381 -2.281 2
1 656 . 1 1 A 62 62 LYS H H 62 9.590 8.600 0.990 2
1 657 . 1 1 A 62 62 LYS C C 62 172.100 174.670 -2.570 2
1 658 . 1 1 A 62 62 LYS CA C 62 54.820 54.883 -0.063 2
1 659 . 1 1 A 62 62 LYS CB C 62 35.540 35.135 0.405 2
1 660 . 1 1 A 62 62 LYS N N 62 120.730 120.368 0.362 2
1 661 . 1 1 A 63 63 HIS H H 63 8.570 8.651 -0.081 2
1 662 . 1 1 A 63 63 HIS HA H 63 5.240 5.000 0.240 2
1 665 . 1 1 A 63 63 HIS C C 63 175.200 175.191 0.009 2
1 666 . 1 1 A 63 63 HIS CA C 63 54.100 55.578 -1.478 2
1 667 . 1 1 A 63 63 HIS CB C 63 30.300 32.012 -1.712 2
1 668 . 1 1 A 63 63 HIS N N 63 123.800 125.222 -1.422 2
1 669 . 1 1 A 64 64 GLY H H 64 9.080 8.742 0.338 2
1 670 . 1 1 A 64 64 GLY HA2 H 64 3.730 3.588 0.142 2
1 671 . 1 1 A 64 64 GLY C C 64 174.200 174.692 -0.492 2
1 672 . 1 1 A 64 64 GLY CA C 64 47.090 47.172 -0.082 2
1 673 . 1 1 A 64 64 GLY N N 64 119.110 115.899 3.211 2
1 674 . 1 1 A 65 65 ASN H H 65 8.770 8.672 0.098 2
1 675 . 1 1 A 65 65 ASN HA H 65 4.650 4.799 -0.149 2
1 677 . 1 1 A 65 65 ASN C C 65 174.600 174.699 -0.099 2
1 678 . 1 1 A 65 65 ASN CA C 65 53.080 52.894 0.186 2
1 679 . 1 1 A 65 65 ASN CB C 65 38.700 39.330 -0.630 2
1 680 . 1 1 A 65 65 ASN N N 65 122.390 124.645 -2.256 2
1 681 . 1 1 A 66 66 LYS H H 66 7.830 7.389 0.441 2
1 682 . 1 1 A 66 66 LYS HA H 66 4.470 4.842 -0.372 2
1 686 . 1 1 A 66 66 LYS C C 66 174.900 175.324 -0.424 2
1 687 . 1 1 A 66 66 LYS CA C 66 55.490 55.167 0.323 2
1 688 . 1 1 A 66 66 LYS CB C 66 34.670 34.475 0.195 2
1 692 . 1 1 A 66 66 LYS N N 66 120.640 117.727 2.913 2
1 693 . 1 1 A 67 67 ASN H H 67 8.570 8.866 -0.296 2
1 694 . 1 1 A 67 67 ASN HA H 67 4.860 5.217 -0.357 2
1 696 . 1 1 A 67 67 ASN C C 67 174.700 174.637 0.063 2
1 697 . 1 1 A 67 67 ASN CA C 67 53.680 52.519 1.161 2
1 698 . 1 1 A 67 67 ASN CB C 67 39.050 40.005 -0.955 2
1 699 . 1 1 A 67 67 ASN N N 67 123.400 123.408 -0.008 2
1 700 . 1 1 A 68 68 GLU H H 68 8.970 8.233 0.737 2
1 701 . 1 1 A 68 68 GLU HA H 68 4.630 5.020 -0.390 2
1 704 . 1 1 A 68 68 GLU C C 68 174.500 174.813 -0.313 2
1 705 . 1 1 A 68 68 GLU CA C 68 54.130 54.552 -0.422 2
1 706 . 1 1 A 68 68 GLU CB C 68 32.450 33.521 -1.071 2
1 708 . 1 1 A 68 68 GLU N N 68 123.040 123.189 -0.148 2
1 709 . 1 1 A 69 69 GLU H H 69 8.440 8.870 -0.430 2
1 710 . 1 1 A 69 69 GLU HA H 69 5.500 5.162 0.338 2
1 713 . 1 1 A 69 69 GLU C C 69 175.000 174.818 0.182 2
1 714 . 1 1 A 69 69 GLU CA C 69 55.010 54.649 0.361 2
1 715 . 1 1 A 69 69 GLU CB C 69 33.200 33.278 -0.078 2
1 717 . 1 1 A 69 69 GLU N N 69 118.940 121.227 -2.287 2
1 718 . 1 1 A 70 70 ALA H H 70 9.140 8.359 0.781 2
1 719 . 1 1 A 70 70 ALA HA H 70 4.840 4.985 -0.145 2
1 723 . 1 1 A 70 70 ALA C C 70 175.500 175.831 -0.331 2
1 724 . 1 1 A 70 70 ALA CA C 70 51.720 51.340 0.380 2
1 725 . 1 1 A 70 70 ALA CB C 70 23.780 23.515 0.265 2
1 726 . 1 1 A 70 70 ALA N N 70 124.420 125.012 -0.592 2
1 727 . 1 1 A 71 71 SER H H 71 8.640 8.794 -0.155 2
1 728 . 1 1 A 71 71 SER HA H 71 5.480 5.338 0.142 2
1 731 . 1 1 A 71 71 SER C C 71 173.900 173.872 0.028 2
1 732 . 1 1 A 71 71 SER CA C 71 57.470 57.437 0.033 2
1 733 . 1 1 A 71 71 SER CB C 71 63.760 64.922 -1.162 2
1 734 . 1 1 A 71 71 SER N N 71 118.040 116.305 1.735 2
1 735 . 1 1 A 72 72 ILE H H 72 9.100 8.730 0.369 2
1 736 . 1 1 A 72 72 ILE HA H 72 4.340 4.895 -0.555 2
1 746 . 1 1 A 72 72 ILE C C 72 173.500 174.678 -1.178 2
1 747 . 1 1 A 72 72 ILE CA C 72 60.140 59.455 0.685 2
1 748 . 1 1 A 72 72 ILE CB C 72 41.920 42.140 -0.220 2
1 752 . 1 1 A 72 72 ILE N N 72 124.670 122.767 1.903 2
1 753 . 1 1 A 73 73 LYS H H 73 8.530 8.467 0.063 2
1 754 . 1 1 A 73 73 LYS HA H 73 4.810 4.656 0.154 2
1 759 . 1 1 A 73 73 LYS C C 73 176.000 176.879 -0.879 2
1 760 . 1 1 A 73 73 LYS CA C 73 55.630 55.896 -0.266 2
1 761 . 1 1 A 73 73 LYS CB C 73 33.440 33.548 -0.108 2
1 765 . 1 1 A 73 73 LYS N N 73 128.060 125.569 2.491 2
1 766 . 1 1 A 74 74 LEU H H 74 8.900 8.389 0.511 2
1 767 . 1 1 A 74 74 LEU HA H 74 4.230 4.365 -0.135 2
1 774 . 1 1 A 74 74 LEU C C 74 178.400 176.560 1.840 2
1 775 . 1 1 A 74 74 LEU CA C 74 55.520 55.310 0.210 2
1 776 . 1 1 A 74 74 LEU CB C 74 42.240 42.345 -0.105 2
1 779 . 1 1 A 74 74 LEU N N 74 123.270 124.814 -1.544 2
1 780 . 1 1 A 75 75 THR H H 75 8.550 8.795 -0.245 2
1 781 . 1 1 A 75 75 THR HA H 75 4.680 5.117 -0.437 2
1 786 . 1 1 A 75 75 THR C C 75 172.600 172.852 -0.252 2
1 787 . 1 1 A 75 75 THR CA C 75 59.400 59.293 0.107 2
1 788 . 1 1 A 75 75 THR CB C 75 71.300 72.231 -0.931 2
1 790 . 1 1 A 75 75 THR N N 75 116.480 114.115 2.366 2
1 791 . 1 1 A 76 76 ALA H H 76 8.360 8.607 -0.247 2
1 792 . 1 1 A 76 76 ALA HA H 76 4.490 4.500 -0.010 2
1 796 . 1 1 A 76 76 ALA C C 76 179.100 178.150 0.950 2
1 797 . 1 1 A 76 76 ALA CA C 76 51.730 51.942 -0.212 2
1 798 . 1 1 A 76 76 ALA CB C 76 18.930 19.170 -0.240 2
1 799 . 1 1 A 76 76 ALA N N 76 123.400 124.692 -1.292 2
1 800 . 1 1 A 77 77 ILE H H 77 8.850 8.752 0.098 2
1 801 . 1 1 A 77 77 ILE HA H 77 4.370 4.404 -0.034 2
1 811 . 1 1 A 77 77 ILE C C 77 174.900 175.257 -0.357 2
1 812 . 1 1 A 77 77 ILE CA C 77 59.850 61.603 -1.753 2
1 813 . 1 1 A 77 77 ILE CB C 77 39.200 39.434 -0.234 2
1 817 . 1 1 A 77 77 ILE N N 77 118.310 118.737 -0.427 2
1 818 . 1 1 A 78 78 ASP H H 78 7.580 7.848 -0.268 2
1 819 . 1 1 A 78 78 ASP HA H 78 4.670 4.903 -0.233 2
1 822 . 1 1 A 78 78 ASP C C 78 177.300 176.996 0.304 2
1 823 . 1 1 A 78 78 ASP CA C 78 52.500 52.820 -0.320 2
1 824 . 1 1 A 78 78 ASP CB C 78 42.100 42.670 -0.570 2
1 825 . 1 1 A 78 78 ASP N N 78 118.160 121.908 -3.748 2
1 826 . 1 1 A 79 79 LYS H H 79 8.380 8.845 -0.465 2
1 827 . 1 1 A 79 79 LYS HA H 79 4.200 4.040 0.160 2
1 832 . 1 1 A 79 79 LYS C C 79 177.200 177.667 -0.467 2
1 833 . 1 1 A 79 79 LYS CA C 79 57.620 59.099 -1.479 2
1 834 . 1 1 A 79 79 LYS CB C 79 31.940 31.966 -0.026 2
1 838 . 1 1 A 79 79 LYS N N 79 117.260 122.210 -4.950 2
1 839 . 1 1 A 80 80 LYS H H 80 7.900 7.723 0.177 2
1 840 . 1 1 A 80 80 LYS HA H 80 4.350 4.272 0.078 2
1 845 . 1 1 A 80 80 LYS C C 80 176.800 177.214 -0.414 2
1 846 . 1 1 A 80 80 LYS CA C 80 56.070 55.741 0.329 2
1 847 . 1 1 A 80 80 LYS CB C 80 32.430 32.102 0.328 2
1 851 . 1 1 A 80 80 LYS N N 80 118.240 116.596 1.644 2
1 852 . 1 1 A 81 81 GLY H H 81 7.850 8.190 -0.340 2
1 853 . 1 1 A 81 81 GLY HA2 H 81 4.170 3.894 0.276 2
1 854 . 1 1 A 81 81 GLY HA3 H 81 3.520 3.897 -0.378 2
1 855 . 1 1 A 81 81 GLY C C 81 173.700 174.750 -1.050 2
1 856 . 1 1 A 81 81 GLY CA C 81 45.340 46.809 -1.469 2
1 857 . 1 1 A 81 81 GLY N N 81 107.740 109.173 -1.433 2
1 858 . 1 1 A 82 82 THR H H 82 8.760 8.171 0.589 2
1 859 . 1 1 A 82 82 THR HA H 82 4.060 4.298 -0.238 2
1 864 . 1 1 A 82 82 THR CA C 82 61.340 60.047 1.293 2
1 865 . 1 1 A 82 82 THR CB C 82 68.440 69.203 -0.763 2
1 867 . 1 1 A 82 82 THR N N 82 122.360 115.931 6.429 2
1 868 . 1 1 A 83 83 PRO HA H 83 4.760 4.398 0.362 2
1 874 . 1 1 A 83 83 PRO C C 83 177.100 176.277 0.823 2
1 875 . 1 1 A 83 83 PRO CA C 83 61.750 63.630 -1.880 2
1 876 . 1 1 A 83 83 PRO CB C 83 33.000 31.959 1.041 2
1 879 . 1 1 A 84 84 GLY H H 84 8.870 8.116 0.754 2
1 880 . 1 1 A 84 84 GLY HA2 H 84 4.140 4.213 -0.073 2
1 881 . 1 1 A 84 84 GLY C C 84 171.400 173.419 -2.019 2
1 882 . 1 1 A 84 84 GLY CA C 84 46.360 45.242 1.118 2
1 883 . 1 1 A 84 84 GLY N N 84 104.120 108.120 -4.000 2
1 884 . 1 1 A 85 85 ILE H H 85 8.920 8.611 0.309 2
1 885 . 1 1 A 85 85 ILE HA H 85 4.570 4.391 0.179 2
1 895 . 1 1 A 85 85 ILE C C 85 175.100 175.776 -0.676 2
1 896 . 1 1 A 85 85 ILE CA C 85 61.110 60.518 0.592 2
1 897 . 1 1 A 85 85 ILE CB C 85 40.020 39.128 0.892 2
1 901 . 1 1 A 85 85 ILE N N 85 112.690 118.463 -5.773 2
1 902 . 1 1 A 86 86 GLY H H 86 8.980 8.562 0.418 2
1 903 . 1 1 A 86 86 GLY HA2 H 86 3.770 3.997 -0.227 2
1 904 . 1 1 A 86 86 GLY HA3 H 86 4.160 4.001 0.159 2
1 905 . 1 1 A 86 86 GLY C C 86 173.300 173.500 -0.200 2
1 906 . 1 1 A 86 86 GLY CA C 86 45.960 46.290 -0.330 2
1 907 . 1 1 A 86 86 GLY N N 86 112.050 109.435 2.615 2
1 908 . 1 1 A 87 87 ILE H H 87 7.290 7.931 -0.641 2
1 909 . 1 1 A 87 87 ILE HA H 87 5.170 5.055 0.115 2
1 918 . 1 1 A 87 87 ILE C C 87 174.800 174.468 0.332 2
1 919 . 1 1 A 87 87 ILE CA C 87 58.850 58.792 0.058 2
1 920 . 1 1 A 87 87 ILE CB C 87 41.480 42.403 -0.923 2
1 924 . 1 1 A 87 87 ILE N N 87 110.880 116.238 -5.358 2
1 925 . 1 1 A 88 88 THR H H 88 8.350 8.549 -0.199 2
1 926 . 1 1 A 88 88 THR HA H 88 4.580 5.034 -0.454 2
1 931 . 1 1 A 88 88 THR C C 88 173.700 173.285 0.415 2
1 932 . 1 1 A 88 88 THR CA C 88 61.410 61.731 -0.322 2
1 933 . 1 1 A 88 88 THR CB C 88 70.570 71.294 -0.724 2
1 935 . 1 1 A 88 88 THR N N 88 116.050 116.740 -0.691 2
1 936 . 1 1 A 89 89 LEU H H 89 8.950 9.102 -0.152 2
1 937 . 1 1 A 89 89 LEU HA H 89 5.210 5.167 0.043 2
1 944 . 1 1 A 89 89 LEU C C 89 176.000 176.183 -0.183 2
1 945 . 1 1 A 89 89 LEU CA C 89 53.600 53.409 0.191 2
1 946 . 1 1 A 89 89 LEU CB C 89 44.840 44.044 0.796 2
1 949 . 1 1 A 89 89 LEU N N 89 126.710 127.340 -0.630 2
1 950 . 1 1 A 90 90 VAL H H 90 8.820 8.430 0.390 2
1 951 . 1 1 A 90 90 VAL HA H 90 4.320 4.668 -0.348 2
1 956 . 1 1 A 90 90 VAL C C 90 174.600 174.849 -0.249 2
1 957 . 1 1 A 90 90 VAL CA C 90 61.300 60.051 1.249 2
1 958 . 1 1 A 90 90 VAL CB C 90 34.850 34.536 0.314 2
1 961 . 1 1 A 90 90 VAL N N 90 117.740 120.154 -2.414 2
1 962 . 1 1 A 91 91 ASP H H 91 8.510 8.852 -0.342 2
1 963 . 1 1 A 91 91 ASP HA H 91 4.890 4.637 0.253 2
1 965 . 1 1 A 91 91 ASP C C 91 176.000 175.539 0.461 2
1 966 . 1 1 A 91 91 ASP CA C 91 54.920 54.412 0.508 2
1 967 . 1 1 A 91 91 ASP CB C 91 41.590 40.831 0.759 2
1 968 . 1 1 A 91 91 ASP N N 91 123.890 123.191 0.699 2
1 969 . 1 1 A 92 92 ASP H H 92 8.390 8.213 0.177 2
1 970 . 1 1 A 92 92 ASP HA H 92 4.730 4.654 0.076 2
1 972 . 1 1 A 92 92 ASP C C 92 175.800 175.994 -0.194 2
1 973 . 1 1 A 92 92 ASP CA C 92 53.890 54.128 -0.238 2
1 974 . 1 1 A 92 92 ASP CB C 92 41.650 40.923 0.727 2
1 975 . 1 1 A 92 92 ASP N N 92 119.860 118.457 1.403 2
1 976 . 1 1 A 93 93 LEU H H 93 8.180 8.418 -0.238 2
1 977 . 1 1 A 93 93 LEU HA H 93 4.130 3.973 0.157 2
1 983 . 1 1 A 93 93 LEU C C 93 177.700 176.772 0.928 2
1 984 . 1 1 A 93 93 LEU CA C 93 55.920 56.754 -0.834 2
1 985 . 1 1 A 93 93 LEU CB C 93 42.120 41.078 1.042 2
1 989 . 1 1 A 93 93 LEU N N 93 122.430 120.313 2.117 2
1 990 . 1 1 A 94 94 GLU H H 94 8.240 7.973 0.267 2
1 991 . 1 1 A 94 94 GLU HA H 94 4.070 4.148 -0.078 2
1 995 . 1 1 A 94 94 GLU C C 94 176.500 176.747 -0.247 2
1 996 . 1 1 A 94 94 GLU CA C 94 56.790 56.932 -0.142 2
1 997 . 1 1 A 94 94 GLU CB C 94 29.440 29.026 0.414 2
1 999 . 1 1 A 94 94 GLU N N 94 118.890 116.544 2.345 2
1 1000 . 1 1 A 95 95 HIS H H 95 8.250 8.426 -0.176 2
1 1001 . 1 1 A 95 95 HIS CA C 95 55.680 56.654 -0.974 2
1 1002 . 1 1 A 95 95 HIS CB C 95 28.300 30.318 -2.018 2
1 1003 . 1 1 A 95 95 HIS N N 95 117.130 121.414 -4.284 2
1 1004 . 1 1 A 96 96 HIS H H 96 8.440 7.812 0.628 2
1 1005 . 1 1 A 96 96 HIS CA C 96 55.550 57.049 -1.499 2
1 1006 . 1 1 A 96 96 HIS CB C 96 28.830 29.349 -0.519 2
stop_
save_