data_15510_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15510
_Entry.PDB_ID 2JW4
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 SER HA H 2 4.600 4.980 -0.380 1
1 4 . 1 1 1 A 3 3 THR H H 3 8.340 8.468 -0.128 1
1 5 . 1 1 1 A 3 3 THR HA H 3 4.380 4.523 -0.143 1
1 10 . 1 1 1 A 4 4 MET H H 4 8.430 8.679 -0.249 1
1 11 . 1 1 1 A 4 4 MET HA H 4 4.460 4.466 -0.006 1
1 16 . 1 1 1 A 5 5 ALA H H 5 8.340 8.643 -0.303 1
1 17 . 1 1 1 A 5 5 ALA HA H 5 4.300 4.406 -0.106 1
1 21 . 1 1 1 A 6 6 GLU H H 6 8.220 7.977 0.243 1
1 22 . 1 1 1 A 6 6 GLU HA H 6 4.300 4.604 -0.304 1
1 27 . 1 1 1 A 7 7 GLU H H 7 8.470 8.907 -0.437 1
1 28 . 1 1 1 A 7 7 GLU HA H 7 4.440 4.717 -0.277 1
1 33 . 1 1 1 A 8 8 VAL H H 8 8.500 7.554 0.946 1
1 34 . 1 1 1 A 8 8 VAL HA H 8 4.210 4.767 -0.557 1
1 42 . 1 1 1 A 9 9 VAL H H 9 8.360 9.143 -0.783 1
1 43 . 1 1 1 A 9 9 VAL HA H 9 4.430 5.031 -0.601 1
1 51 . 1 1 1 A 10 10 VAL H H 10 8.890 9.340 -0.450 1
1 52 . 1 1 1 A 10 10 VAL HA H 10 4.980 5.233 -0.253 1
1 60 . 1 1 1 A 11 11 VAL H H 11 8.540 9.124 -0.584 1
1 61 . 1 1 1 A 11 11 VAL HA H 11 5.000 4.856 0.144 1
1 69 . 1 1 1 A 12 12 ALA H H 12 8.760 8.996 -0.236 1
1 70 . 1 1 1 A 12 12 ALA HA H 12 4.580 5.060 -0.480 1
1 74 . 1 1 1 A 13 13 LYS H H 13 9.370 8.967 0.403 1
1 75 . 1 1 1 A 13 13 LYS HA H 13 3.850 4.306 -0.456 1
1 84 . 1 1 1 A 14 14 PHE H H 14 7.140 8.010 -0.870 1
1 85 . 1 1 1 A 14 14 PHE HA H 14 4.810 5.073 -0.263 1
1 93 . 1 1 1 A 15 15 ASP H H 15 8.360 9.039 -0.679 1
1 94 . 1 1 1 A 15 15 ASP HA H 15 4.790 5.737 -0.947 1
1 97 . 1 1 1 A 16 16 TYR H H 16 8.850 8.833 0.017 1
1 98 . 1 1 1 A 16 16 TYR HA H 16 4.750 4.949 -0.199 1
1 105 . 1 1 1 A 17 17 VAL H H 17 7.190 8.294 -1.104 1
1 106 . 1 1 1 A 17 17 VAL HA H 17 4.150 4.230 -0.080 1
1 114 . 1 1 1 A 18 18 ALA H H 18 8.640 8.173 0.467 1
1 115 . 1 1 1 A 18 18 ALA HA H 18 4.230 4.407 -0.177 1
1 119 . 1 1 1 A 19 19 GLN H H 19 9.090 8.672 0.418 1
1 120 . 1 1 1 A 19 19 GLN HA H 19 4.310 3.911 0.399 1
1 127 . 1 1 1 A 20 20 GLN H H 20 7.210 8.118 -0.908 1
1 128 . 1 1 1 A 20 20 GLN HA H 20 4.590 4.409 0.181 1
1 135 . 1 1 1 A 21 21 GLU H H 21 8.980 8.944 0.036 1
1 136 . 1 1 1 A 21 21 GLU HA H 21 4.100 4.075 0.025 1
1 141 . 1 1 1 A 22 22 GLN H H 22 8.460 7.954 0.506 1
1 142 . 1 1 1 A 22 22 GLN HA H 22 4.550 4.125 0.425 1
1 149 . 1 1 1 A 23 23 GLU H H 23 7.730 7.839 -0.109 1
1 150 . 1 1 1 A 23 23 GLU HA H 23 5.330 4.611 0.719 1
1 155 . 1 1 1 A 24 24 LEU H H 24 7.910 8.820 -0.910 1
1 156 . 1 1 1 A 24 24 LEU HA H 24 4.680 5.224 -0.544 1
1 166 . 1 1 1 A 25 25 ASP H H 25 7.640 8.798 -1.158 1
1 167 . 1 1 1 A 25 25 ASP HA H 25 5.150 4.820 0.330 1
1 170 . 1 1 1 A 26 26 ILE H H 26 8.930 8.747 0.183 1
1 171 . 1 1 1 A 26 26 ILE HA H 26 5.120 5.268 -0.148 1
1 181 . 1 1 1 A 27 27 LYS H H 27 8.940 8.737 0.203 1
1 182 . 1 1 1 A 27 27 LYS HA H 27 5.090 4.789 0.301 1
1 191 . 1 1 1 A 28 28 LYS H H 28 8.990 8.556 0.434 1
1 192 . 1 1 1 A 28 28 LYS HA H 28 3.110 3.886 -0.776 1
1 201 . 1 1 1 A 29 29 ASN H H 29 8.690 8.928 -0.238 1
1 202 . 1 1 1 A 29 29 ASN HA H 29 4.170 4.201 -0.031 1
1 207 . 1 1 1 A 30 30 GLU H H 30 8.650 7.495 1.155 1
1 208 . 1 1 1 A 30 30 GLU HA H 30 4.170 4.754 -0.584 1
1 213 . 1 1 1 A 31 31 ARG H H 31 8.500 8.745 -0.245 1
1 214 . 1 1 1 A 31 31 ARG HA H 31 4.580 4.500 0.080 1
1 222 . 1 1 1 A 32 32 LEU H H 32 8.860 9.481 -0.621 1
1 223 . 1 1 1 A 32 32 LEU HA H 32 4.840 4.807 0.033 1
1 233 . 1 1 1 A 33 33 TRP H H 33 9.160 8.650 0.510 1
1 234 . 1 1 1 A 33 33 TRP HA H 33 5.100 5.060 0.040 1
1 243 . 1 1 1 A 34 34 LEU H H 34 9.130 8.411 0.719 1
1 244 . 1 1 1 A 34 34 LEU HA H 34 4.330 4.395 -0.065 1
1 254 . 1 1 1 A 35 35 LEU H H 35 9.020 9.451 -0.431 1
1 255 . 1 1 1 A 35 35 LEU HA H 35 4.610 4.338 0.272 1
1 265 . 1 1 1 A 36 36 ASP H H 36 7.460 7.759 -0.299 1
1 266 . 1 1 1 A 36 36 ASP HA H 36 4.760 5.003 -0.243 1
1 269 . 1 1 1 A 37 37 ASP H H 37 8.330 8.463 -0.133 1
1 270 . 1 1 1 A 37 37 ASP HA H 37 3.940 4.794 -0.854 1
1 273 . 1 1 1 A 38 38 SER H H 38 8.460 8.553 -0.093 1
1 274 . 1 1 1 A 38 38 SER HA H 38 4.210 4.678 -0.468 1
1 277 . 1 1 1 A 39 39 LYS H H 39 8.450 7.636 0.814 1
1 278 . 1 1 1 A 39 39 LYS HA H 39 4.900 4.429 0.471 1
1 287 . 1 1 1 A 40 40 SER H H 40 8.350 8.710 -0.360 1
1 288 . 1 1 1 A 40 40 SER HA H 40 4.310 4.176 0.134 1
1 291 . 1 1 1 A 41 41 TRP H H 41 7.440 8.130 -0.690 1
1 292 . 1 1 1 A 41 41 TRP HA H 41 4.850 5.085 -0.235 1
1 301 . 1 1 1 A 42 42 TRP H H 42 9.360 9.138 0.222 1
1 302 . 1 1 1 A 42 42 TRP HA H 42 5.440 5.223 0.217 1
1 311 . 1 1 1 A 43 43 ARG H H 43 8.810 9.411 -0.601 1
1 312 . 1 1 1 A 43 43 ARG HA H 43 4.540 4.784 -0.244 1
1 320 . 1 1 1 A 44 44 VAL H H 44 9.210 8.881 0.329 1
1 321 . 1 1 1 A 44 44 VAL HA H 44 5.510 5.386 0.124 1
1 329 . 1 1 1 A 45 45 ARG H H 45 9.260 9.232 0.028 1
1 330 . 1 1 1 A 45 45 ARG HA H 45 5.510 5.413 0.097 1
1 338 . 1 1 1 A 46 46 ASN H H 46 8.820 9.128 -0.308 1
1 339 . 1 1 1 A 46 46 ASN HA H 46 5.470 5.291 0.179 1
1 344 . 1 1 1 A 47 47 SER H H 47 9.730 9.031 0.699 1
1 345 . 1 1 1 A 47 47 SER HA H 47 4.320 4.503 -0.183 1
1 348 . 1 1 1 A 48 48 MET H H 48 7.650 8.043 -0.393 1
1 349 . 1 1 1 A 48 48 MET HA H 48 4.720 4.597 0.123 1
1 357 . 1 1 1 A 49 49 ASN H H 49 8.430 8.352 0.078 1
1 358 . 1 1 1 A 49 49 ASN HA H 49 4.200 4.483 -0.283 1
1 363 . 1 1 1 A 50 50 LYS H H 50 8.090 7.902 0.188 1
1 364 . 1 1 1 A 50 50 LYS HA H 50 4.560 4.347 0.213 1
1 373 . 1 1 1 A 51 51 THR H H 51 8.310 8.678 -0.368 1
1 374 . 1 1 1 A 51 51 THR HA H 51 5.730 5.328 0.402 1
1 379 . 1 1 1 A 52 52 GLY H H 52 8.630 8.122 0.508 1
1 380 . 1 1 1 A 52 52 GLY HA2 H 52 4.090 4.177 -0.087 1
1 381 . 1 1 1 A 52 52 GLY HA3 H 52 3.920 4.251 -0.331 1
1 382 . 1 1 1 A 53 53 PHE H H 53 9.020 8.332 0.688 1
1 383 . 1 1 1 A 53 53 PHE HA H 53 5.860 5.158 0.702 1
1 391 . 1 1 1 A 54 54 VAL H H 54 9.150 9.208 -0.058 1
1 399 . 1 1 1 A 55 55 PRO HA H 55 3.230 4.300 -1.070 1
1 406 . 1 1 1 A 56 56 SER H H 56 7.790 7.993 -0.203 1
1 407 . 1 1 1 A 57 57 ASN HA H 57 4.480 4.500 -0.020 1
1 412 . 1 1 1 A 58 58 TYR H H 58 7.950 7.639 0.311 1
1 413 . 1 1 1 A 58 58 TYR HA H 58 4.460 4.857 -0.397 1
1 420 . 1 1 1 A 59 59 VAL H H 59 7.300 7.613 -0.313 1
1 421 . 1 1 1 A 59 59 VAL HA H 59 5.080 5.196 -0.116 1
1 429 . 1 1 1 A 60 60 GLU H H 60 8.670 8.412 0.258 1
1 430 . 1 1 1 A 60 60 GLU HA H 60 4.780 4.703 0.077 1
1 435 . 1 1 1 A 61 61 ARG H H 61 9.080 8.493 0.587 1
1 436 . 1 1 1 A 61 61 ARG HA H 61 4.540 4.345 0.195 1
1 444 . 1 1 1 A 62 62 LYS H H 62 8.540 8.767 -0.227 1
1 445 . 1 1 1 A 62 62 LYS HA H 62 4.370 4.649 -0.279 1
1 454 . 1 1 1 A 63 63 ASN H H 63 8.660 8.930 -0.270 1
1 455 . 1 1 1 A 63 63 ASN HA H 63 4.760 4.344 0.416 1
1 460 . 1 1 1 A 64 64 SER H H 64 8.380 7.931 0.449 1
1 461 . 1 1 1 A 64 64 SER HA H 64 4.420 4.511 -0.091 1
1 464 . 1 1 1 A 65 65 ALA H H 65 8.380 8.449 -0.069 1
1 465 . 1 1 1 A 65 65 ALA HA H 65 4.310 4.551 -0.241 1
1 469 . 1 1 1 A 66 66 ARG H H 66 8.240 8.482 -0.242 1
1 470 . 1 1 1 A 66 66 ARG HA H 66 4.290 4.276 0.014 1
1 477 . 1 1 1 A 67 67 ALA H H 67 8.290 9.003 -0.713 1
1 478 . 1 1 1 A 67 67 ALA HA H 67 4.290 4.033 0.257 1
1 482 . 1 1 1 A 68 68 ALA H H 68 8.270 8.051 0.219 1
1 483 . 1 1 1 A 68 68 ALA HA H 68 4.290 4.086 0.204 1
1 487 . 1 1 1 A 69 69 ALA H H 69 8.240 7.703 0.537 1
1 488 . 1 1 1 A 69 69 ALA HA H 69 4.320 4.354 -0.034 1
1 492 . 1 1 1 A 70 70 ASN H H 70 8.390 8.831 -0.441 1
1 493 . 1 1 1 A 70 70 ASN HA H 70 4.750 5.398 -0.648 1
1 496 . 1 1 1 A 71 71 SER H H 71 8.250 8.825 -0.575 1
1 497 . 1 1 1 A 71 71 SER HA H 71 4.520 4.068 0.452 1
1 1 . 2 1 1 A 2 2 SER HA H 2 4.600 4.690 -0.090 1
1 4 . 2 1 1 A 3 3 THR H H 3 8.340 8.377 -0.037 1
1 5 . 2 1 1 A 3 3 THR HA H 3 4.380 4.670 -0.290 1
1 10 . 2 1 1 A 4 4 MET H H 4 8.430 8.669 -0.239 1
1 11 . 2 1 1 A 4 4 MET HA H 4 4.460 4.797 -0.337 1
1 16 . 2 1 1 A 5 5 ALA H H 5 8.340 8.500 -0.160 1
1 17 . 2 1 1 A 5 5 ALA HA H 5 4.300 4.244 0.056 1
1 21 . 2 1 1 A 6 6 GLU H H 6 8.220 9.028 -0.808 1
1 22 . 2 1 1 A 6 6 GLU HA H 6 4.300 3.965 0.335 1
1 27 . 2 1 1 A 7 7 GLU H H 7 8.470 8.737 -0.267 1
1 28 . 2 1 1 A 7 7 GLU HA H 7 4.440 4.946 -0.506 1
1 33 . 2 1 1 A 8 8 VAL H H 8 8.500 8.677 -0.177 1
1 34 . 2 1 1 A 8 8 VAL HA H 8 4.210 4.820 -0.610 1
1 42 . 2 1 1 A 9 9 VAL H H 9 8.360 9.049 -0.689 1
1 43 . 2 1 1 A 9 9 VAL HA H 9 4.430 5.050 -0.620 1
1 51 . 2 1 1 A 10 10 VAL H H 10 8.890 9.194 -0.304 1
1 52 . 2 1 1 A 10 10 VAL HA H 10 4.980 5.292 -0.312 1
1 60 . 2 1 1 A 11 11 VAL H H 11 8.540 8.855 -0.315 1
1 61 . 2 1 1 A 11 11 VAL HA H 11 5.000 4.835 0.165 1
1 69 . 2 1 1 A 12 12 ALA H H 12 8.760 8.620 0.140 1
1 70 . 2 1 1 A 12 12 ALA HA H 12 4.580 4.597 -0.017 1
1 74 . 2 1 1 A 13 13 LYS H H 13 9.370 9.037 0.333 1
1 75 . 2 1 1 A 13 13 LYS HA H 13 3.850 4.256 -0.406 1
1 84 . 2 1 1 A 14 14 PHE H H 14 7.140 7.917 -0.777 1
1 85 . 2 1 1 A 14 14 PHE HA H 14 4.810 5.064 -0.254 1
1 93 . 2 1 1 A 15 15 ASP H H 15 8.360 8.950 -0.590 1
1 94 . 2 1 1 A 15 15 ASP HA H 15 4.790 5.684 -0.894 1
1 97 . 2 1 1 A 16 16 TYR H H 16 8.850 8.916 -0.066 1
1 98 . 2 1 1 A 16 16 TYR HA H 16 4.750 5.298 -0.548 1
1 105 . 2 1 1 A 17 17 VAL H H 17 7.190 8.345 -1.155 1
1 106 . 2 1 1 A 17 17 VAL HA H 17 4.150 4.213 -0.063 1
1 114 . 2 1 1 A 18 18 ALA H H 18 8.640 8.190 0.450 1
1 115 . 2 1 1 A 18 18 ALA HA H 18 4.230 4.706 -0.476 1
1 119 . 2 1 1 A 19 19 GLN H H 19 9.090 8.111 0.979 1
1 120 . 2 1 1 A 19 19 GLN HA H 19 4.310 3.923 0.387 1
1 127 . 2 1 1 A 20 20 GLN H H 20 7.210 8.060 -0.850 1
1 128 . 2 1 1 A 20 20 GLN HA H 20 4.590 4.292 0.298 1
1 135 . 2 1 1 A 21 21 GLU H H 21 8.980 8.886 0.094 1
1 136 . 2 1 1 A 21 21 GLU HA H 21 4.100 4.087 0.013 1
1 141 . 2 1 1 A 22 22 GLN H H 22 8.460 7.966 0.494 1
1 142 . 2 1 1 A 22 22 GLN HA H 22 4.550 4.089 0.461 1
1 149 . 2 1 1 A 23 23 GLU H H 23 7.730 7.957 -0.227 1
1 150 . 2 1 1 A 23 23 GLU HA H 23 5.330 4.580 0.750 1
1 155 . 2 1 1 A 24 24 LEU H H 24 7.910 8.735 -0.825 1
1 156 . 2 1 1 A 24 24 LEU HA H 24 4.680 5.274 -0.594 1
1 166 . 2 1 1 A 25 25 ASP H H 25 7.640 8.892 -1.252 1
1 167 . 2 1 1 A 25 25 ASP HA H 25 5.150 4.909 0.241 1
1 170 . 2 1 1 A 26 26 ILE H H 26 8.930 8.703 0.227 1
1 171 . 2 1 1 A 26 26 ILE HA H 26 5.120 5.257 -0.137 1
1 181 . 2 1 1 A 27 27 LYS H H 27 8.940 8.786 0.154 1
1 182 . 2 1 1 A 27 27 LYS HA H 27 5.090 4.807 0.283 1
1 191 . 2 1 1 A 28 28 LYS H H 28 8.990 8.590 0.400 1
1 192 . 2 1 1 A 28 28 LYS HA H 28 3.110 3.920 -0.810 1
1 201 . 2 1 1 A 29 29 ASN H H 29 8.690 8.534 0.156 1
1 202 . 2 1 1 A 29 29 ASN HA H 29 4.170 4.222 -0.052 1
1 207 . 2 1 1 A 30 30 GLU H H 30 8.650 7.519 1.131 1
1 208 . 2 1 1 A 30 30 GLU HA H 30 4.170 4.802 -0.632 1
1 213 . 2 1 1 A 31 31 ARG H H 31 8.500 8.599 -0.099 1
1 214 . 2 1 1 A 31 31 ARG HA H 31 4.580 4.286 0.294 1
1 222 . 2 1 1 A 32 32 LEU H H 32 8.860 8.561 0.299 1
1 223 . 2 1 1 A 32 32 LEU HA H 32 4.840 4.535 0.305 1
1 233 . 2 1 1 A 33 33 TRP H H 33 9.160 8.637 0.523 1
1 234 . 2 1 1 A 33 33 TRP HA H 33 5.100 5.324 -0.224 1
1 243 . 2 1 1 A 34 34 LEU H H 34 9.130 8.472 0.658 1
1 244 . 2 1 1 A 34 34 LEU HA H 34 4.330 4.415 -0.085 1
1 254 . 2 1 1 A 35 35 LEU H H 35 9.020 9.134 -0.114 1
1 255 . 2 1 1 A 35 35 LEU HA H 35 4.610 4.454 0.156 1
1 265 . 2 1 1 A 36 36 ASP H H 36 7.460 7.870 -0.410 1
1 266 . 2 1 1 A 36 36 ASP HA H 36 4.760 4.883 -0.123 1
1 269 . 2 1 1 A 37 37 ASP H H 37 8.330 8.414 -0.084 1
1 270 . 2 1 1 A 37 37 ASP HA H 37 3.940 4.114 -0.174 1
1 273 . 2 1 1 A 38 38 SER H H 38 8.460 8.176 0.284 1
1 274 . 2 1 1 A 38 38 SER HA H 38 4.210 4.630 -0.420 1
1 277 . 2 1 1 A 39 39 LYS H H 39 8.450 7.597 0.853 1
1 278 . 2 1 1 A 39 39 LYS HA H 39 4.900 4.469 0.431 1
1 287 . 2 1 1 A 40 40 SER H H 40 8.350 8.937 -0.587 1
1 288 . 2 1 1 A 40 40 SER HA H 40 4.310 4.208 0.102 1
1 291 . 2 1 1 A 41 41 TRP H H 41 7.440 8.221 -0.781 1
1 292 . 2 1 1 A 41 41 TRP HA H 41 4.850 5.015 -0.165 1
1 301 . 2 1 1 A 42 42 TRP H H 42 9.360 9.037 0.323 1
1 302 . 2 1 1 A 42 42 TRP HA H 42 5.440 5.240 0.200 1
1 311 . 2 1 1 A 43 43 ARG H H 43 8.810 9.133 -0.323 1
1 312 . 2 1 1 A 43 43 ARG HA H 43 4.540 4.550 -0.010 1
1 320 . 2 1 1 A 44 44 VAL H H 44 9.210 8.748 0.462 1
1 321 . 2 1 1 A 44 44 VAL HA H 44 5.510 5.193 0.317 1
1 329 . 2 1 1 A 45 45 ARG H H 45 9.260 9.216 0.044 1
1 330 . 2 1 1 A 45 45 ARG HA H 45 5.510 5.332 0.178 1
1 338 . 2 1 1 A 46 46 ASN H H 46 8.820 8.976 -0.156 1
1 339 . 2 1 1 A 46 46 ASN HA H 46 5.470 5.416 0.054 1
1 344 . 2 1 1 A 47 47 SER H H 47 9.730 9.076 0.654 1
1 345 . 2 1 1 A 47 47 SER HA H 47 4.320 4.364 -0.044 1
1 348 . 2 1 1 A 48 48 MET H H 48 7.650 8.004 -0.354 1
1 349 . 2 1 1 A 48 48 MET HA H 48 4.720 4.586 0.134 1
1 357 . 2 1 1 A 49 49 ASN H H 49 8.430 8.274 0.156 1
1 358 . 2 1 1 A 49 49 ASN HA H 49 4.200 4.461 -0.261 1
1 363 . 2 1 1 A 50 50 LYS H H 50 8.090 7.858 0.232 1
1 364 . 2 1 1 A 50 50 LYS HA H 50 4.560 4.360 0.200 1
1 373 . 2 1 1 A 51 51 THR H H 51 8.310 8.677 -0.367 1
1 374 . 2 1 1 A 51 51 THR HA H 51 5.730 5.137 0.593 1
1 379 . 2 1 1 A 52 52 GLY H H 52 8.630 8.161 0.469 1
1 380 . 2 1 1 A 52 52 GLY HA2 H 52 4.090 4.216 -0.126 1
1 381 . 2 1 1 A 52 52 GLY HA3 H 52 3.920 4.278 -0.358 1
1 382 . 2 1 1 A 53 53 PHE H H 53 9.020 8.857 0.163 1
1 383 . 2 1 1 A 53 53 PHE HA H 53 5.860 5.093 0.767 1
1 391 . 2 1 1 A 54 54 VAL H H 54 9.150 8.998 0.152 1
1 399 . 2 1 1 A 55 55 PRO HA H 55 3.230 4.379 -1.149 1
1 406 . 2 1 1 A 56 56 SER H H 56 7.790 8.411 -0.621 1
1 407 . 2 1 1 A 57 57 ASN HA H 57 4.480 4.457 0.023 1
1 412 . 2 1 1 A 58 58 TYR H H 58 7.950 8.016 -0.066 1
1 413 . 2 1 1 A 58 58 TYR HA H 58 4.460 4.665 -0.205 1
1 420 . 2 1 1 A 59 59 VAL H H 59 7.300 6.969 0.331 1
1 421 . 2 1 1 A 59 59 VAL HA H 59 5.080 4.881 0.199 1
1 429 . 2 1 1 A 60 60 GLU H H 60 8.670 8.768 -0.098 1
1 430 . 2 1 1 A 60 60 GLU HA H 60 4.780 4.753 0.027 1
1 435 . 2 1 1 A 61 61 ARG H H 61 9.080 8.690 0.390 1
1 436 . 2 1 1 A 61 61 ARG HA H 61 4.540 4.496 0.044 1
1 444 . 2 1 1 A 62 62 LYS H H 62 8.540 8.731 -0.191 1
1 445 . 2 1 1 A 62 62 LYS HA H 62 4.370 4.249 0.121 1
1 454 . 2 1 1 A 63 63 ASN H H 63 8.660 8.603 0.057 1
1 455 . 2 1 1 A 63 63 ASN HA H 63 4.760 5.203 -0.443 1
1 460 . 2 1 1 A 64 64 SER H H 64 8.380 7.575 0.805 1
1 461 . 2 1 1 A 64 64 SER HA H 64 4.420 4.380 0.040 1
1 464 . 2 1 1 A 65 65 ALA H H 65 8.380 8.573 -0.193 1
1 465 . 2 1 1 A 65 65 ALA HA H 65 4.310 4.693 -0.383 1
1 469 . 2 1 1 A 66 66 ARG H H 66 8.240 8.766 -0.526 1
1 470 . 2 1 1 A 66 66 ARG HA H 66 4.290 4.137 0.153 1
1 477 . 2 1 1 A 67 67 ALA H H 67 8.290 8.607 -0.317 1
1 478 . 2 1 1 A 67 67 ALA HA H 67 4.290 4.025 0.265 1
1 482 . 2 1 1 A 68 68 ALA H H 68 8.270 8.096 0.174 1
1 483 . 2 1 1 A 68 68 ALA HA H 68 4.290 4.053 0.237 1
1 487 . 2 1 1 A 69 69 ALA H H 69 8.240 7.580 0.660 1
1 488 . 2 1 1 A 69 69 ALA HA H 69 4.320 4.490 -0.170 1
1 492 . 2 1 1 A 70 70 ASN H H 70 8.390 8.568 -0.178 1
1 493 . 2 1 1 A 70 70 ASN HA H 70 4.750 5.085 -0.335 1
1 496 . 2 1 1 A 71 71 SER H H 71 8.250 8.937 -0.687 1
1 497 . 2 1 1 A 71 71 SER HA H 71 4.520 4.332 0.188 1
1 1 . 3 1 1 A 2 2 SER HA H 2 4.600 4.158 0.442 1
1 4 . 3 1 1 A 3 3 THR H H 3 8.340 7.899 0.441 1
1 5 . 3 1 1 A 3 3 THR HA H 3 4.380 4.143 0.237 1
1 10 . 3 1 1 A 4 4 MET H H 4 8.430 8.661 -0.231 1
1 11 . 3 1 1 A 4 4 MET HA H 4 4.460 4.991 -0.531 1
1 16 . 3 1 1 A 5 5 ALA H H 5 8.340 8.476 -0.136 1
1 17 . 3 1 1 A 5 5 ALA HA H 5 4.300 4.257 0.043 1
1 21 . 3 1 1 A 6 6 GLU H H 6 8.220 8.608 -0.388 1
1 22 . 3 1 1 A 6 6 GLU HA H 6 4.300 4.744 -0.444 1
1 27 . 3 1 1 A 7 7 GLU H H 7 8.470 8.947 -0.477 1
1 28 . 3 1 1 A 7 7 GLU HA H 7 4.440 4.730 -0.290 1
1 33 . 3 1 1 A 8 8 VAL H H 8 8.500 8.385 0.115 1
1 34 . 3 1 1 A 8 8 VAL HA H 8 4.210 4.914 -0.704 1
1 42 . 3 1 1 A 9 9 VAL H H 9 8.360 9.052 -0.692 1
1 43 . 3 1 1 A 9 9 VAL HA H 9 4.430 5.001 -0.571 1
1 51 . 3 1 1 A 10 10 VAL H H 10 8.890 8.889 0.001 1
1 52 . 3 1 1 A 10 10 VAL HA H 10 4.980 5.328 -0.348 1
1 60 . 3 1 1 A 11 11 VAL H H 11 8.540 9.047 -0.507 1
1 61 . 3 1 1 A 11 11 VAL HA H 11 5.000 4.734 0.266 1
1 69 . 3 1 1 A 12 12 ALA H H 12 8.760 8.473 0.287 1
1 70 . 3 1 1 A 12 12 ALA HA H 12 4.580 4.551 0.029 1
1 74 . 3 1 1 A 13 13 LYS H H 13 9.370 8.985 0.385 1
1 75 . 3 1 1 A 13 13 LYS HA H 13 3.850 4.197 -0.347 1
1 84 . 3 1 1 A 14 14 PHE H H 14 7.140 7.936 -0.796 1
1 85 . 3 1 1 A 14 14 PHE HA H 14 4.810 5.054 -0.244 1
1 93 . 3 1 1 A 15 15 ASP H H 15 8.360 8.920 -0.560 1
1 94 . 3 1 1 A 15 15 ASP HA H 15 4.790 5.695 -0.905 1
1 97 . 3 1 1 A 16 16 TYR H H 16 8.850 8.945 -0.095 1
1 98 . 3 1 1 A 16 16 TYR HA H 16 4.750 5.376 -0.626 1
1 105 . 3 1 1 A 17 17 VAL H H 17 7.190 8.360 -1.170 1
1 106 . 3 1 1 A 17 17 VAL HA H 17 4.150 4.237 -0.087 1
1 114 . 3 1 1 A 18 18 ALA H H 18 8.640 8.169 0.471 1
1 115 . 3 1 1 A 18 18 ALA HA H 18 4.230 4.695 -0.465 1
1 119 . 3 1 1 A 19 19 GLN H H 19 9.090 8.386 0.704 1
1 120 . 3 1 1 A 19 19 GLN HA H 19 4.310 3.929 0.381 1
1 127 . 3 1 1 A 20 20 GLN H H 20 7.210 8.105 -0.895 1
1 128 . 3 1 1 A 20 20 GLN HA H 20 4.590 4.344 0.246 1
1 135 . 3 1 1 A 21 21 GLU H H 21 8.980 8.931 0.049 1
1 136 . 3 1 1 A 21 21 GLU HA H 21 4.100 4.081 0.019 1
1 141 . 3 1 1 A 22 22 GLN H H 22 8.460 8.014 0.446 1
1 142 . 3 1 1 A 22 22 GLN HA H 22 4.550 4.061 0.489 1
1 149 . 3 1 1 A 23 23 GLU H H 23 7.730 7.701 0.029 1
1 150 . 3 1 1 A 23 23 GLU HA H 23 5.330 4.536 0.794 1
1 155 . 3 1 1 A 24 24 LEU H H 24 7.910 8.562 -0.652 1
1 156 . 3 1 1 A 24 24 LEU HA H 24 4.680 5.193 -0.513 1
1 166 . 3 1 1 A 25 25 ASP H H 25 7.640 8.831 -1.191 1
1 167 . 3 1 1 A 25 25 ASP HA H 25 5.150 5.297 -0.147 1
1 170 . 3 1 1 A 26 26 ILE H H 26 8.930 8.787 0.143 1
1 171 . 3 1 1 A 26 26 ILE HA H 26 5.120 5.245 -0.125 1
1 181 . 3 1 1 A 27 27 LYS H H 27 8.940 8.774 0.166 1
1 182 . 3 1 1 A 27 27 LYS HA H 27 5.090 4.809 0.281 1
1 191 . 3 1 1 A 28 28 LYS H H 28 8.990 8.589 0.401 1
1 192 . 3 1 1 A 28 28 LYS HA H 28 3.110 3.918 -0.808 1
1 201 . 3 1 1 A 29 29 ASN H H 29 8.690 8.611 0.079 1
1 202 . 3 1 1 A 29 29 ASN HA H 29 4.170 4.197 -0.027 1
1 207 . 3 1 1 A 30 30 GLU H H 30 8.650 7.486 1.164 1
1 208 . 3 1 1 A 30 30 GLU HA H 30 4.170 4.829 -0.659 1
1 213 . 3 1 1 A 31 31 ARG H H 31 8.500 8.611 -0.111 1
1 214 . 3 1 1 A 31 31 ARG HA H 31 4.580 4.307 0.273 1
1 222 . 3 1 1 A 32 32 LEU H H 32 8.860 8.601 0.259 1
1 223 . 3 1 1 A 32 32 LEU HA H 32 4.840 4.489 0.351 1
1 233 . 3 1 1 A 33 33 TRP H H 33 9.160 8.674 0.486 1
1 234 . 3 1 1 A 33 33 TRP HA H 33 5.100 5.366 -0.266 1
1 243 . 3 1 1 A 34 34 LEU H H 34 9.130 8.637 0.493 1
1 244 . 3 1 1 A 34 34 LEU HA H 34 4.330 4.497 -0.167 1
1 254 . 3 1 1 A 35 35 LEU H H 35 9.020 8.988 0.032 1
1 255 . 3 1 1 A 35 35 LEU HA H 35 4.610 4.347 0.263 1
1 265 . 3 1 1 A 36 36 ASP H H 36 7.460 7.605 -0.145 1
1 266 . 3 1 1 A 36 36 ASP HA H 36 4.760 4.849 -0.089 1
1 269 . 3 1 1 A 37 37 ASP H H 37 8.330 8.362 -0.032 1
1 270 . 3 1 1 A 37 37 ASP HA H 37 3.940 4.512 -0.572 1
1 273 . 3 1 1 A 38 38 SER H H 38 8.460 8.098 0.362 1
1 274 . 3 1 1 A 38 38 SER HA H 38 4.210 4.573 -0.363 1
1 277 . 3 1 1 A 39 39 LYS H H 39 8.450 7.668 0.782 1
1 278 . 3 1 1 A 39 39 LYS HA H 39 4.900 4.468 0.432 1
1 287 . 3 1 1 A 40 40 SER H H 40 8.350 8.772 -0.422 1
1 288 . 3 1 1 A 40 40 SER HA H 40 4.310 4.170 0.140 1
1 291 . 3 1 1 A 41 41 TRP H H 41 7.440 8.208 -0.768 1
1 292 . 3 1 1 A 41 41 TRP HA H 41 4.850 4.864 -0.014 1
1 301 . 3 1 1 A 42 42 TRP H H 42 9.360 9.012 0.348 1
1 302 . 3 1 1 A 42 42 TRP HA H 42 5.440 5.123 0.317 1
1 311 . 3 1 1 A 43 43 ARG H H 43 8.810 9.126 -0.316 1
1 312 . 3 1 1 A 43 43 ARG HA H 43 4.540 4.562 -0.022 1
1 320 . 3 1 1 A 44 44 VAL H H 44 9.210 8.744 0.466 1
1 321 . 3 1 1 A 44 44 VAL HA H 44 5.510 5.214 0.296 1
1 329 . 3 1 1 A 45 45 ARG H H 45 9.260 9.180 0.080 1
1 330 . 3 1 1 A 45 45 ARG HA H 45 5.510 5.353 0.157 1
1 338 . 3 1 1 A 46 46 ASN H H 46 8.820 8.927 -0.107 1
1 339 . 3 1 1 A 46 46 ASN HA H 46 5.470 5.323 0.147 1
1 344 . 3 1 1 A 47 47 SER H H 47 9.730 9.046 0.684 1
1 345 . 3 1 1 A 47 47 SER HA H 47 4.320 4.515 -0.195 1
1 348 . 3 1 1 A 48 48 MET H H 48 7.650 8.029 -0.379 1
1 349 . 3 1 1 A 48 48 MET HA H 48 4.720 4.575 0.145 1
1 357 . 3 1 1 A 49 49 ASN H H 49 8.430 8.214 0.216 1
1 358 . 3 1 1 A 49 49 ASN HA H 49 4.200 4.474 -0.274 1
1 363 . 3 1 1 A 50 50 LYS H H 50 8.090 7.842 0.248 1
1 364 . 3 1 1 A 50 50 LYS HA H 50 4.560 4.366 0.194 1
1 373 . 3 1 1 A 51 51 THR H H 51 8.310 8.729 -0.419 1
1 374 . 3 1 1 A 51 51 THR HA H 51 5.730 5.188 0.542 1
1 379 . 3 1 1 A 52 52 GLY H H 52 8.630 8.055 0.575 1
1 380 . 3 1 1 A 52 52 GLY HA2 H 52 4.090 4.183 -0.093 1
1 381 . 3 1 1 A 52 52 GLY HA3 H 52 3.920 4.232 -0.312 1
1 382 . 3 1 1 A 53 53 PHE H H 53 9.020 8.846 0.174 1
1 383 . 3 1 1 A 53 53 PHE HA H 53 5.860 5.126 0.734 1
1 391 . 3 1 1 A 54 54 VAL H H 54 9.150 8.868 0.282 1
1 399 . 3 1 1 A 55 55 PRO HA H 55 3.230 4.407 -1.177 1
1 406 . 3 1 1 A 56 56 SER H H 56 7.790 8.483 -0.693 1
1 407 . 3 1 1 A 57 57 ASN HA H 57 4.480 4.406 0.074 1
1 412 . 3 1 1 A 58 58 TYR H H 58 7.950 8.391 -0.441 1
1 413 . 3 1 1 A 58 58 TYR HA H 58 4.460 4.784 -0.324 1
1 420 . 3 1 1 A 59 59 VAL H H 59 7.300 7.475 -0.175 1
1 421 . 3 1 1 A 59 59 VAL HA H 59 5.080 4.890 0.190 1
1 429 . 3 1 1 A 60 60 GLU H H 60 8.670 8.765 -0.095 1
1 430 . 3 1 1 A 60 60 GLU HA H 60 4.780 4.739 0.041 1
1 435 . 3 1 1 A 61 61 ARG H H 61 9.080 8.616 0.464 1
1 436 . 3 1 1 A 61 61 ARG HA H 61 4.540 4.515 0.025 1
1 444 . 3 1 1 A 62 62 LYS H H 62 8.540 8.940 -0.400 1
1 445 . 3 1 1 A 62 62 LYS HA H 62 4.370 4.349 0.021 1
1 454 . 3 1 1 A 63 63 ASN H H 63 8.660 8.641 0.019 1
1 455 . 3 1 1 A 63 63 ASN HA H 63 4.760 5.016 -0.256 1
1 460 . 3 1 1 A 64 64 SER H H 64 8.380 7.935 0.445 1
1 461 . 3 1 1 A 64 64 SER HA H 64 4.420 4.538 -0.118 1
1 464 . 3 1 1 A 65 65 ALA H H 65 8.380 8.412 -0.032 1
1 465 . 3 1 1 A 65 65 ALA HA H 65 4.310 4.498 -0.188 1
1 469 . 3 1 1 A 66 66 ARG H H 66 8.240 8.196 0.044 1
1 470 . 3 1 1 A 66 66 ARG HA H 66 4.290 4.157 0.133 1
1 477 . 3 1 1 A 67 67 ALA H H 67 8.290 8.493 -0.203 1
1 478 . 3 1 1 A 67 67 ALA HA H 67 4.290 4.037 0.253 1
1 482 . 3 1 1 A 68 68 ALA H H 68 8.270 7.965 0.305 1
1 483 . 3 1 1 A 68 68 ALA HA H 68 4.290 4.410 -0.120 1
1 487 . 3 1 1 A 69 69 ALA H H 69 8.240 7.678 0.562 1
1 488 . 3 1 1 A 69 69 ALA HA H 69 4.320 3.955 0.365 1
1 492 . 3 1 1 A 70 70 ASN H H 70 8.390 8.209 0.181 1
1 493 . 3 1 1 A 70 70 ASN HA H 70 4.750 5.145 -0.395 1
1 496 . 3 1 1 A 71 71 SER H H 71 8.250 8.559 -0.309 1
1 497 . 3 1 1 A 71 71 SER HA H 71 4.520 4.554 -0.034 1
1 1 . 4 1 1 A 2 2 SER HA H 2 4.600 4.761 -0.161 1
1 4 . 4 1 1 A 3 3 THR H H 3 8.340 8.755 -0.415 1
1 5 . 4 1 1 A 3 3 THR HA H 3 4.380 3.820 0.560 1
1 10 . 4 1 1 A 4 4 MET H H 4 8.430 7.949 0.481 1
1 11 . 4 1 1 A 4 4 MET HA H 4 4.460 4.550 -0.090 1
1 16 . 4 1 1 A 5 5 ALA H H 5 8.340 8.391 -0.051 1
1 17 . 4 1 1 A 5 5 ALA HA H 5 4.300 4.013 0.287 1
1 21 . 4 1 1 A 6 6 GLU H H 6 8.220 8.931 -0.711 1
1 22 . 4 1 1 A 6 6 GLU HA H 6 4.300 4.286 0.014 1
1 27 . 4 1 1 A 7 7 GLU H H 7 8.470 9.175 -0.705 1
1 28 . 4 1 1 A 7 7 GLU HA H 7 4.440 4.799 -0.359 1
1 33 . 4 1 1 A 8 8 VAL H H 8 8.500 8.667 -0.167 1
1 34 . 4 1 1 A 8 8 VAL HA H 8 4.210 4.896 -0.686 1
1 42 . 4 1 1 A 9 9 VAL H H 9 8.360 8.799 -0.439 1
1 43 . 4 1 1 A 9 9 VAL HA H 9 4.430 4.995 -0.565 1
1 51 . 4 1 1 A 10 10 VAL H H 10 8.890 8.760 0.130 1
1 52 . 4 1 1 A 10 10 VAL HA H 10 4.980 5.306 -0.326 1
1 60 . 4 1 1 A 11 11 VAL H H 11 8.540 8.872 -0.332 1
1 61 . 4 1 1 A 11 11 VAL HA H 11 5.000 4.685 0.315 1
1 69 . 4 1 1 A 12 12 ALA H H 12 8.760 8.902 -0.142 1
1 70 . 4 1 1 A 12 12 ALA HA H 12 4.580 4.465 0.115 1
1 74 . 4 1 1 A 13 13 LYS H H 13 9.370 8.852 0.518 1
1 75 . 4 1 1 A 13 13 LYS HA H 13 3.850 4.373 -0.523 1
1 84 . 4 1 1 A 14 14 PHE H H 14 7.140 7.542 -0.402 1
1 85 . 4 1 1 A 14 14 PHE HA H 14 4.810 5.047 -0.237 1
1 93 . 4 1 1 A 15 15 ASP H H 15 8.360 9.033 -0.673 1
1 94 . 4 1 1 A 15 15 ASP HA H 15 4.790 5.809 -1.019 1
1 97 . 4 1 1 A 16 16 TYR H H 16 8.850 8.967 -0.117 1
1 98 . 4 1 1 A 16 16 TYR HA H 16 4.750 5.353 -0.603 1
1 105 . 4 1 1 A 17 17 VAL H H 17 7.190 8.342 -1.152 1
1 106 . 4 1 1 A 17 17 VAL HA H 17 4.150 4.244 -0.094 1
1 114 . 4 1 1 A 18 18 ALA H H 18 8.640 8.236 0.404 1
1 115 . 4 1 1 A 18 18 ALA HA H 18 4.230 4.703 -0.473 1
1 119 . 4 1 1 A 19 19 GLN H H 19 9.090 8.204 0.886 1
1 120 . 4 1 1 A 19 19 GLN HA H 19 4.310 3.943 0.367 1
1 127 . 4 1 1 A 20 20 GLN H H 20 7.210 7.679 -0.469 1
1 128 . 4 1 1 A 20 20 GLN HA H 20 4.590 4.353 0.237 1
1 135 . 4 1 1 A 21 21 GLU H H 21 8.980 8.922 0.058 1
1 136 . 4 1 1 A 21 21 GLU HA H 21 4.100 4.074 0.026 1
1 141 . 4 1 1 A 22 22 GLN H H 22 8.460 7.950 0.510 1
1 142 . 4 1 1 A 22 22 GLN HA H 22 4.550 4.155 0.395 1
1 149 . 4 1 1 A 23 23 GLU H H 23 7.730 7.665 0.065 1
1 150 . 4 1 1 A 23 23 GLU HA H 23 5.330 4.575 0.755 1
1 155 . 4 1 1 A 24 24 LEU H H 24 7.910 8.523 -0.613 1
1 156 . 4 1 1 A 24 24 LEU HA H 24 4.680 5.108 -0.428 1
1 166 . 4 1 1 A 25 25 ASP H H 25 7.640 8.878 -1.238 1
1 167 . 4 1 1 A 25 25 ASP HA H 25 5.150 5.304 -0.154 1
1 170 . 4 1 1 A 26 26 ILE H H 26 8.930 8.834 0.096 1
1 171 . 4 1 1 A 26 26 ILE HA H 26 5.120 5.257 -0.137 1
1 181 . 4 1 1 A 27 27 LYS H H 27 8.940 8.759 0.181 1
1 182 . 4 1 1 A 27 27 LYS HA H 27 5.090 4.818 0.272 1
1 191 . 4 1 1 A 28 28 LYS H H 28 8.990 8.625 0.365 1
1 192 . 4 1 1 A 28 28 LYS HA H 28 3.110 3.947 -0.837 1
1 201 . 4 1 1 A 29 29 ASN H H 29 8.690 8.644 0.046 1
1 202 . 4 1 1 A 29 29 ASN HA H 29 4.170 4.263 -0.093 1
1 207 . 4 1 1 A 30 30 GLU H H 30 8.650 7.532 1.118 1
1 208 . 4 1 1 A 30 30 GLU HA H 30 4.170 4.825 -0.655 1
1 213 . 4 1 1 A 31 31 ARG H H 31 8.500 8.706 -0.206 1
1 214 . 4 1 1 A 31 31 ARG HA H 31 4.580 4.542 0.038 1
1 222 . 4 1 1 A 32 32 LEU H H 32 8.860 9.096 -0.236 1
1 223 . 4 1 1 A 32 32 LEU HA H 32 4.840 4.635 0.205 1
1 233 . 4 1 1 A 33 33 TRP H H 33 9.160 8.924 0.236 1
1 234 . 4 1 1 A 33 33 TRP HA H 33 5.100 5.273 -0.173 1
1 243 . 4 1 1 A 34 34 LEU H H 34 9.130 8.421 0.709 1
1 244 . 4 1 1 A 34 34 LEU HA H 34 4.330 4.370 -0.040 1
1 254 . 4 1 1 A 35 35 LEU H H 35 9.020 9.065 -0.045 1
1 255 . 4 1 1 A 35 35 LEU HA H 35 4.610 4.338 0.272 1
1 265 . 4 1 1 A 36 36 ASP H H 36 7.460 7.815 -0.355 1
1 266 . 4 1 1 A 36 36 ASP HA H 36 4.760 4.979 -0.219 1
1 269 . 4 1 1 A 37 37 ASP H H 37 8.330 8.416 -0.086 1
1 270 . 4 1 1 A 37 37 ASP HA H 37 3.940 4.737 -0.797 1
1 273 . 4 1 1 A 38 38 SER H H 38 8.460 8.254 0.206 1
1 274 . 4 1 1 A 38 38 SER HA H 38 4.210 4.605 -0.395 1
1 277 . 4 1 1 A 39 39 LYS H H 39 8.450 7.692 0.758 1
1 278 . 4 1 1 A 39 39 LYS HA H 39 4.900 4.458 0.442 1
1 287 . 4 1 1 A 40 40 SER H H 40 8.350 8.922 -0.572 1
1 288 . 4 1 1 A 40 40 SER HA H 40 4.310 4.196 0.114 1
1 291 . 4 1 1 A 41 41 TRP H H 41 7.440 8.148 -0.708 1
1 292 . 4 1 1 A 41 41 TRP HA H 41 4.850 4.827 0.023 1
1 301 . 4 1 1 A 42 42 TRP H H 42 9.360 9.211 0.149 1
1 302 . 4 1 1 A 42 42 TRP HA H 42 5.440 5.131 0.309 1
1 311 . 4 1 1 A 43 43 ARG H H 43 8.810 9.331 -0.521 1
1 312 . 4 1 1 A 43 43 ARG HA H 43 4.540 4.671 -0.131 1
1 320 . 4 1 1 A 44 44 VAL H H 44 9.210 8.742 0.468 1
1 321 . 4 1 1 A 44 44 VAL HA H 44 5.510 5.173 0.337 1
1 329 . 4 1 1 A 45 45 ARG H H 45 9.260 9.235 0.025 1
1 330 . 4 1 1 A 45 45 ARG HA H 45 5.510 5.354 0.156 1
1 338 . 4 1 1 A 46 46 ASN H H 46 8.820 9.006 -0.186 1
1 339 . 4 1 1 A 46 46 ASN HA H 46 5.470 5.306 0.164 1
1 344 . 4 1 1 A 47 47 SER H H 47 9.730 9.037 0.693 1
1 345 . 4 1 1 A 47 47 SER HA H 47 4.320 4.521 -0.201 1
1 348 . 4 1 1 A 48 48 MET H H 48 7.650 8.026 -0.376 1
1 349 . 4 1 1 A 48 48 MET HA H 48 4.720 4.594 0.126 1
1 357 . 4 1 1 A 49 49 ASN H H 49 8.430 8.029 0.401 1
1 358 . 4 1 1 A 49 49 ASN HA H 49 4.200 4.437 -0.237 1
1 363 . 4 1 1 A 50 50 LYS H H 50 8.090 7.911 0.179 1
1 364 . 4 1 1 A 50 50 LYS HA H 50 4.560 4.427 0.133 1
1 373 . 4 1 1 A 51 51 THR H H 51 8.310 8.663 -0.353 1
1 374 . 4 1 1 A 51 51 THR HA H 51 5.730 5.268 0.462 1
1 379 . 4 1 1 A 52 52 GLY H H 52 8.630 8.070 0.560 1
1 380 . 4 1 1 A 52 52 GLY HA2 H 52 4.090 4.133 -0.043 1
1 381 . 4 1 1 A 52 52 GLY HA3 H 52 3.920 4.194 -0.274 1
1 382 . 4 1 1 A 53 53 PHE H H 53 9.020 8.692 0.328 1
1 383 . 4 1 1 A 53 53 PHE HA H 53 5.860 5.191 0.669 1
1 391 . 4 1 1 A 54 54 VAL H H 54 9.150 9.027 0.123 1
1 399 . 4 1 1 A 55 55 PRO HA H 55 3.230 4.325 -1.095 1
1 406 . 4 1 1 A 56 56 SER H H 56 7.790 8.303 -0.513 1
1 407 . 4 1 1 A 57 57 ASN HA H 57 4.480 4.465 0.015 1
1 412 . 4 1 1 A 58 58 TYR H H 58 7.950 7.760 0.190 1
1 413 . 4 1 1 A 58 58 TYR HA H 58 4.460 4.717 -0.257 1
1 420 . 4 1 1 A 59 59 VAL H H 59 7.300 7.464 -0.164 1
1 421 . 4 1 1 A 59 59 VAL HA H 59 5.080 4.857 0.223 1
1 429 . 4 1 1 A 60 60 GLU H H 60 8.670 8.721 -0.051 1
1 430 . 4 1 1 A 60 60 GLU HA H 60 4.780 4.759 0.021 1
1 435 . 4 1 1 A 61 61 ARG H H 61 9.080 8.773 0.307 1
1 436 . 4 1 1 A 61 61 ARG HA H 61 4.540 4.506 0.034 1
1 444 . 4 1 1 A 62 62 LYS H H 62 8.540 8.757 -0.217 1
1 445 . 4 1 1 A 62 62 LYS HA H 62 4.370 4.263 0.107 1
1 454 . 4 1 1 A 63 63 ASN H H 63 8.660 8.554 0.106 1
1 455 . 4 1 1 A 63 63 ASN HA H 63 4.760 4.866 -0.106 1
1 460 . 4 1 1 A 64 64 SER H H 64 8.380 8.147 0.233 1
1 461 . 4 1 1 A 64 64 SER HA H 64 4.420 4.487 -0.067 1
1 464 . 4 1 1 A 65 65 ALA H H 65 8.380 7.901 0.479 1
1 465 . 4 1 1 A 65 65 ALA HA H 65 4.310 4.524 -0.214 1
1 469 . 4 1 1 A 66 66 ARG H H 66 8.240 7.417 0.823 1
1 470 . 4 1 1 A 66 66 ARG HA H 66 4.290 4.476 -0.186 1
1 477 . 4 1 1 A 67 67 ALA H H 67 8.290 8.836 -0.546 1
1 478 . 4 1 1 A 67 67 ALA HA H 67 4.290 4.175 0.115 1
1 482 . 4 1 1 A 68 68 ALA H H 68 8.270 7.834 0.436 1
1 483 . 4 1 1 A 68 68 ALA HA H 68 4.290 4.067 0.223 1
1 487 . 4 1 1 A 69 69 ALA H H 69 8.240 7.653 0.587 1
1 488 . 4 1 1 A 69 69 ALA HA H 69 4.320 4.341 -0.021 1
1 492 . 4 1 1 A 70 70 ASN H H 70 8.390 9.300 -0.910 1
1 493 . 4 1 1 A 70 70 ASN HA H 70 4.750 4.672 0.078 1
1 496 . 4 1 1 A 71 71 SER H H 71 8.250 8.905 -0.655 1
1 497 . 4 1 1 A 71 71 SER HA H 71 4.520 4.098 0.422 1
1 1 . 5 1 1 A 2 2 SER HA H 2 4.600 5.411 -0.811 1
1 4 . 5 1 1 A 3 3 THR H H 3 8.340 9.064 -0.724 1
1 5 . 5 1 1 A 3 3 THR HA H 3 4.380 4.292 0.088 1
1 10 . 5 1 1 A 4 4 MET H H 4 8.430 8.690 -0.260 1
1 11 . 5 1 1 A 4 4 MET HA H 4 4.460 4.748 -0.288 1
1 16 . 5 1 1 A 5 5 ALA H H 5 8.340 8.154 0.186 1
1 17 . 5 1 1 A 5 5 ALA HA H 5 4.300 4.117 0.183 1
1 21 . 5 1 1 A 6 6 GLU H H 6 8.220 8.076 0.144 1
1 22 . 5 1 1 A 6 6 GLU HA H 6 4.300 4.302 -0.002 1
1 27 . 5 1 1 A 7 7 GLU H H 7 8.470 9.028 -0.558 1
1 28 . 5 1 1 A 7 7 GLU HA H 7 4.440 4.811 -0.371 1
1 33 . 5 1 1 A 8 8 VAL H H 8 8.500 8.230 0.270 1
1 34 . 5 1 1 A 8 8 VAL HA H 8 4.210 4.934 -0.724 1
1 42 . 5 1 1 A 9 9 VAL H H 9 8.360 8.907 -0.547 1
1 43 . 5 1 1 A 9 9 VAL HA H 9 4.430 5.056 -0.626 1
1 51 . 5 1 1 A 10 10 VAL H H 10 8.890 8.755 0.135 1
1 52 . 5 1 1 A 10 10 VAL HA H 10 4.980 5.451 -0.471 1
1 60 . 5 1 1 A 11 11 VAL H H 11 8.540 9.210 -0.670 1
1 61 . 5 1 1 A 11 11 VAL HA H 11 5.000 4.783 0.217 1
1 69 . 5 1 1 A 12 12 ALA H H 12 8.760 9.077 -0.317 1
1 70 . 5 1 1 A 12 12 ALA HA H 12 4.580 4.713 -0.133 1
1 74 . 5 1 1 A 13 13 LYS H H 13 9.370 8.727 0.643 1
1 75 . 5 1 1 A 13 13 LYS HA H 13 3.850 4.265 -0.415 1
1 84 . 5 1 1 A 14 14 PHE H H 14 7.140 7.769 -0.629 1
1 85 . 5 1 1 A 14 14 PHE HA H 14 4.810 5.085 -0.275 1
1 93 . 5 1 1 A 15 15 ASP H H 15 8.360 9.025 -0.665 1
1 94 . 5 1 1 A 15 15 ASP HA H 15 4.790 5.756 -0.966 1
1 97 . 5 1 1 A 16 16 TYR H H 16 8.850 8.857 -0.007 1
1 98 . 5 1 1 A 16 16 TYR HA H 16 4.750 5.065 -0.315 1
1 105 . 5 1 1 A 17 17 VAL H H 17 7.190 8.257 -1.067 1
1 106 . 5 1 1 A 17 17 VAL HA H 17 4.150 4.200 -0.050 1
1 114 . 5 1 1 A 18 18 ALA H H 18 8.640 8.161 0.479 1
1 115 . 5 1 1 A 18 18 ALA HA H 18 4.230 4.350 -0.120 1
1 119 . 5 1 1 A 19 19 GLN H H 19 9.090 8.658 0.432 1
1 120 . 5 1 1 A 19 19 GLN HA H 19 4.310 3.970 0.340 1
1 127 . 5 1 1 A 20 20 GLN H H 20 7.210 8.162 -0.952 1
1 128 . 5 1 1 A 20 20 GLN HA H 20 4.590 4.384 0.206 1
1 135 . 5 1 1 A 21 21 GLU H H 21 8.980 8.945 0.035 1
1 136 . 5 1 1 A 21 21 GLU HA H 21 4.100 4.076 0.024 1
1 141 . 5 1 1 A 22 22 GLN H H 22 8.460 7.992 0.468 1
1 142 . 5 1 1 A 22 22 GLN HA H 22 4.550 4.063 0.487 1
1 149 . 5 1 1 A 23 23 GLU H H 23 7.730 7.739 -0.009 1
1 150 . 5 1 1 A 23 23 GLU HA H 23 5.330 4.550 0.780 1
1 155 . 5 1 1 A 24 24 LEU H H 24 7.910 8.725 -0.815 1
1 156 . 5 1 1 A 24 24 LEU HA H 24 4.680 5.154 -0.474 1
1 166 . 5 1 1 A 25 25 ASP H H 25 7.640 8.792 -1.152 1
1 167 . 5 1 1 A 25 25 ASP HA H 25 5.150 5.333 -0.183 1
1 170 . 5 1 1 A 26 26 ILE H H 26 8.930 8.809 0.121 1
1 171 . 5 1 1 A 26 26 ILE HA H 26 5.120 5.226 -0.106 1
1 181 . 5 1 1 A 27 27 LYS H H 27 8.940 8.741 0.199 1
1 182 . 5 1 1 A 27 27 LYS HA H 27 5.090 4.771 0.319 1
1 191 . 5 1 1 A 28 28 LYS H H 28 8.990 8.580 0.410 1
1 192 . 5 1 1 A 28 28 LYS HA H 28 3.110 3.951 -0.841 1
1 201 . 5 1 1 A 29 29 ASN H H 29 8.690 9.116 -0.426 1
1 202 . 5 1 1 A 29 29 ASN HA H 29 4.170 4.214 -0.044 1
1 207 . 5 1 1 A 30 30 GLU H H 30 8.650 7.444 1.206 1
1 208 . 5 1 1 A 30 30 GLU HA H 30 4.170 4.801 -0.631 1
1 213 . 5 1 1 A 31 31 ARG H H 31 8.500 8.692 -0.192 1
1 214 . 5 1 1 A 31 31 ARG HA H 31 4.580 4.673 -0.093 1
1 222 . 5 1 1 A 32 32 LEU H H 32 8.860 9.437 -0.577 1
1 223 . 5 1 1 A 32 32 LEU HA H 32 4.840 4.627 0.213 1
1 233 . 5 1 1 A 33 33 TRP H H 33 9.160 8.700 0.460 1
1 234 . 5 1 1 A 33 33 TRP HA H 33 5.100 5.245 -0.145 1
1 243 . 5 1 1 A 34 34 LEU H H 34 9.130 8.632 0.498 1
1 244 . 5 1 1 A 34 34 LEU HA H 34 4.330 4.400 -0.070 1
1 254 . 5 1 1 A 35 35 LEU H H 35 9.020 8.987 0.033 1
1 255 . 5 1 1 A 35 35 LEU HA H 35 4.610 4.427 0.183 1
1 265 . 5 1 1 A 36 36 ASP H H 36 7.460 7.731 -0.271 1
1 266 . 5 1 1 A 36 36 ASP HA H 36 4.760 4.929 -0.169 1
1 269 . 5 1 1 A 37 37 ASP H H 37 8.330 8.434 -0.104 1
1 270 . 5 1 1 A 37 37 ASP HA H 37 3.940 4.486 -0.546 1
1 273 . 5 1 1 A 38 38 SER H H 38 8.460 7.865 0.595 1
1 274 . 5 1 1 A 38 38 SER HA H 38 4.210 4.609 -0.399 1
1 277 . 5 1 1 A 39 39 LYS H H 39 8.450 7.595 0.855 1
1 278 . 5 1 1 A 39 39 LYS HA H 39 4.900 4.469 0.431 1
1 287 . 5 1 1 A 40 40 SER H H 40 8.350 8.930 -0.580 1
1 288 . 5 1 1 A 40 40 SER HA H 40 4.310 4.225 0.085 1
1 291 . 5 1 1 A 41 41 TRP H H 41 7.440 8.219 -0.779 1
1 292 . 5 1 1 A 41 41 TRP HA H 41 4.850 4.885 -0.035 1
1 301 . 5 1 1 A 42 42 TRP H H 42 9.360 9.060 0.300 1
1 302 . 5 1 1 A 42 42 TRP HA H 42 5.440 5.111 0.329 1
1 311 . 5 1 1 A 43 43 ARG H H 43 8.810 9.004 -0.194 1
1 312 . 5 1 1 A 43 43 ARG HA H 43 4.540 4.634 -0.094 1
1 320 . 5 1 1 A 44 44 VAL H H 44 9.210 8.726 0.484 1
1 321 . 5 1 1 A 44 44 VAL HA H 44 5.510 5.039 0.471 1
1 329 . 5 1 1 A 45 45 ARG H H 45 9.260 9.257 0.003 1
1 330 . 5 1 1 A 45 45 ARG HA H 45 5.510 5.334 0.176 1
1 338 . 5 1 1 A 46 46 ASN H H 46 8.820 9.164 -0.344 1
1 339 . 5 1 1 A 46 46 ASN HA H 46 5.470 5.410 0.060 1
1 344 . 5 1 1 A 47 47 SER H H 47 9.730 9.040 0.690 1
1 345 . 5 1 1 A 47 47 SER HA H 47 4.320 4.462 -0.142 1
1 348 . 5 1 1 A 48 48 MET H H 48 7.650 8.026 -0.376 1
1 349 . 5 1 1 A 48 48 MET HA H 48 4.720 4.582 0.138 1
1 357 . 5 1 1 A 49 49 ASN H H 49 8.430 8.137 0.293 1
1 358 . 5 1 1 A 49 49 ASN HA H 49 4.200 4.443 -0.243 1
1 363 . 5 1 1 A 50 50 LYS H H 50 8.090 7.849 0.241 1
1 364 . 5 1 1 A 50 50 LYS HA H 50 4.560 4.374 0.186 1
1 373 . 5 1 1 A 51 51 THR H H 51 8.310 8.641 -0.331 1
1 374 . 5 1 1 A 51 51 THR HA H 51 5.730 5.304 0.426 1
1 379 . 5 1 1 A 52 52 GLY H H 52 8.630 8.089 0.541 1
1 380 . 5 1 1 A 52 52 GLY HA2 H 52 4.090 4.273 -0.183 1
1 381 . 5 1 1 A 52 52 GLY HA3 H 52 3.920 4.318 -0.398 1
1 382 . 5 1 1 A 53 53 PHE H H 53 9.020 8.735 0.285 1
1 383 . 5 1 1 A 53 53 PHE HA H 53 5.860 5.389 0.471 1
1 391 . 5 1 1 A 54 54 VAL H H 54 9.150 9.127 0.023 1
1 399 . 5 1 1 A 55 55 PRO HA H 55 3.230 4.358 -1.128 1
1 406 . 5 1 1 A 56 56 SER H H 56 7.790 8.095 -0.305 1
1 407 . 5 1 1 A 57 57 ASN HA H 57 4.480 4.714 -0.234 1
1 412 . 5 1 1 A 58 58 TYR H H 58 7.950 7.646 0.304 1
1 413 . 5 1 1 A 58 58 TYR HA H 58 4.460 4.785 -0.325 1
1 420 . 5 1 1 A 59 59 VAL H H 59 7.300 7.523 -0.223 1
1 421 . 5 1 1 A 59 59 VAL HA H 59 5.080 4.878 0.202 1
1 429 . 5 1 1 A 60 60 GLU H H 60 8.670 8.662 0.008 1
1 430 . 5 1 1 A 60 60 GLU HA H 60 4.780 4.654 0.126 1
1 435 . 5 1 1 A 61 61 ARG H H 61 9.080 8.580 0.500 1
1 436 . 5 1 1 A 61 61 ARG HA H 61 4.540 4.619 -0.079 1
1 444 . 5 1 1 A 62 62 LYS H H 62 8.540 9.374 -0.834 1
1 445 . 5 1 1 A 62 62 LYS HA H 62 4.370 3.799 0.571 1
1 454 . 5 1 1 A 63 63 ASN H H 63 8.660 8.146 0.514 1
1 455 . 5 1 1 A 63 63 ASN HA H 63 4.760 4.464 0.296 1
1 460 . 5 1 1 A 64 64 SER H H 64 8.380 7.978 0.402 1
1 461 . 5 1 1 A 64 64 SER HA H 64 4.420 4.421 -0.001 1
1 464 . 5 1 1 A 65 65 ALA H H 65 8.380 7.658 0.722 1
1 465 . 5 1 1 A 65 65 ALA HA H 65 4.310 4.419 -0.109 1
1 469 . 5 1 1 A 66 66 ARG H H 66 8.240 8.890 -0.650 1
1 470 . 5 1 1 A 66 66 ARG HA H 66 4.290 3.990 0.300 1
1 477 . 5 1 1 A 67 67 ALA H H 67 8.290 8.079 0.211 1
1 478 . 5 1 1 A 67 67 ALA HA H 67 4.290 4.007 0.283 1
1 482 . 5 1 1 A 68 68 ALA H H 68 8.270 7.665 0.605 1
1 483 . 5 1 1 A 68 68 ALA HA H 68 4.290 4.451 -0.161 1
1 487 . 5 1 1 A 69 69 ALA H H 69 8.240 7.289 0.951 1
1 488 . 5 1 1 A 69 69 ALA HA H 69 4.320 4.143 0.177 1
1 492 . 5 1 1 A 70 70 ASN H H 70 8.390 8.437 -0.047 1
1 493 . 5 1 1 A 70 70 ASN HA H 70 4.750 4.917 -0.167 1
1 496 . 5 1 1 A 71 71 SER H H 71 8.250 8.163 0.087 1
1 497 . 5 1 1 A 71 71 SER HA H 71 4.520 4.119 0.401 1
1 1 . 6 1 1 A 2 2 SER HA H 2 4.600 4.738 -0.138 1
1 4 . 6 1 1 A 3 3 THR H H 3 8.340 8.882 -0.542 1
1 5 . 6 1 1 A 3 3 THR HA H 3 4.380 4.408 -0.028 1
1 10 . 6 1 1 A 4 4 MET H H 4 8.430 8.826 -0.396 1
1 11 . 6 1 1 A 4 4 MET HA H 4 4.460 4.746 -0.286 1
1 16 . 6 1 1 A 5 5 ALA H H 5 8.340 7.990 0.350 1
1 17 . 6 1 1 A 5 5 ALA HA H 5 4.300 4.317 -0.017 1
1 21 . 6 1 1 A 6 6 GLU H H 6 8.220 8.332 -0.112 1
1 22 . 6 1 1 A 6 6 GLU HA H 6 4.300 4.682 -0.382 1
1 27 . 6 1 1 A 7 7 GLU H H 7 8.470 9.066 -0.596 1
1 28 . 6 1 1 A 7 7 GLU HA H 7 4.440 5.048 -0.608 1
1 33 . 6 1 1 A 8 8 VAL H H 8 8.500 8.886 -0.386 1
1 34 . 6 1 1 A 8 8 VAL HA H 8 4.210 4.771 -0.561 1
1 42 . 6 1 1 A 9 9 VAL H H 9 8.360 8.908 -0.548 1
1 43 . 6 1 1 A 9 9 VAL HA H 9 4.430 4.969 -0.539 1
1 51 . 6 1 1 A 10 10 VAL H H 10 8.890 8.800 0.090 1
1 52 . 6 1 1 A 10 10 VAL HA H 10 4.980 5.306 -0.326 1
1 60 . 6 1 1 A 11 11 VAL H H 11 8.540 9.125 -0.585 1
1 61 . 6 1 1 A 11 11 VAL HA H 11 5.000 4.838 0.162 1
1 69 . 6 1 1 A 12 12 ALA H H 12 8.760 8.846 -0.086 1
1 70 . 6 1 1 A 12 12 ALA HA H 12 4.580 4.822 -0.242 1
1 74 . 6 1 1 A 13 13 LYS H H 13 9.370 8.982 0.388 1
1 75 . 6 1 1 A 13 13 LYS HA H 13 3.850 4.241 -0.391 1
1 84 . 6 1 1 A 14 14 PHE H H 14 7.140 7.580 -0.440 1
1 85 . 6 1 1 A 14 14 PHE HA H 14 4.810 5.076 -0.266 1
1 93 . 6 1 1 A 15 15 ASP H H 15 8.360 9.157 -0.797 1
1 94 . 6 1 1 A 15 15 ASP HA H 15 4.790 5.855 -1.065 1
1 97 . 6 1 1 A 16 16 TYR H H 16 8.850 8.944 -0.094 1
1 98 . 6 1 1 A 16 16 TYR HA H 16 4.750 5.233 -0.483 1
1 105 . 6 1 1 A 17 17 VAL H H 17 7.190 8.332 -1.142 1
1 106 . 6 1 1 A 17 17 VAL HA H 17 4.150 4.224 -0.074 1
1 114 . 6 1 1 A 18 18 ALA H H 18 8.640 8.172 0.468 1
1 115 . 6 1 1 A 18 18 ALA HA H 18 4.230 4.355 -0.125 1
1 119 . 6 1 1 A 19 19 GLN H H 19 9.090 8.323 0.767 1
1 120 . 6 1 1 A 19 19 GLN HA H 19 4.310 3.925 0.385 1
1 127 . 6 1 1 A 20 20 GLN H H 20 7.210 7.974 -0.764 1
1 128 . 6 1 1 A 20 20 GLN HA H 20 4.590 4.320 0.270 1
1 135 . 6 1 1 A 21 21 GLU H H 21 8.980 8.897 0.083 1
1 136 . 6 1 1 A 21 21 GLU HA H 21 4.100 4.059 0.041 1
1 141 . 6 1 1 A 22 22 GLN H H 22 8.460 7.887 0.573 1
1 142 . 6 1 1 A 22 22 GLN HA H 22 4.550 4.127 0.423 1
1 149 . 6 1 1 A 23 23 GLU H H 23 7.730 7.899 -0.169 1
1 150 . 6 1 1 A 23 23 GLU HA H 23 5.330 4.558 0.772 1
1 155 . 6 1 1 A 24 24 LEU H H 24 7.910 8.595 -0.685 1
1 156 . 6 1 1 A 24 24 LEU HA H 24 4.680 5.115 -0.435 1
1 166 . 6 1 1 A 25 25 ASP H H 25 7.640 8.864 -1.224 1
1 167 . 6 1 1 A 25 25 ASP HA H 25 5.150 4.920 0.230 1
1 170 . 6 1 1 A 26 26 ILE H H 26 8.930 8.716 0.214 1
1 171 . 6 1 1 A 26 26 ILE HA H 26 5.120 5.252 -0.132 1
1 181 . 6 1 1 A 27 27 LYS H H 27 8.940 8.746 0.194 1
1 182 . 6 1 1 A 27 27 LYS HA H 27 5.090 4.805 0.285 1
1 191 . 6 1 1 A 28 28 LYS H H 28 8.990 8.622 0.368 1
1 192 . 6 1 1 A 28 28 LYS HA H 28 3.110 3.965 -0.855 1
1 201 . 6 1 1 A 29 29 ASN H H 29 8.690 9.143 -0.453 1
1 202 . 6 1 1 A 29 29 ASN HA H 29 4.170 4.235 -0.065 1
1 207 . 6 1 1 A 30 30 GLU H H 30 8.650 7.870 0.780 1
1 208 . 6 1 1 A 30 30 GLU HA H 30 4.170 4.908 -0.738 1
1 213 . 6 1 1 A 31 31 ARG H H 31 8.500 8.762 -0.262 1
1 214 . 6 1 1 A 31 31 ARG HA H 31 4.580 4.562 0.018 1
1 222 . 6 1 1 A 32 32 LEU H H 32 8.860 9.384 -0.524 1
1 223 . 6 1 1 A 32 32 LEU HA H 32 4.840 4.731 0.109 1
1 233 . 6 1 1 A 33 33 TRP H H 33 9.160 8.788 0.372 1
1 234 . 6 1 1 A 33 33 TRP HA H 33 5.100 5.355 -0.255 1
1 243 . 6 1 1 A 34 34 LEU H H 34 9.130 8.942 0.188 1
1 244 . 6 1 1 A 34 34 LEU HA H 34 4.330 4.484 -0.154 1
1 254 . 6 1 1 A 35 35 LEU H H 35 9.020 8.984 0.036 1
1 255 . 6 1 1 A 35 35 LEU HA H 35 4.610 4.343 0.267 1
1 265 . 6 1 1 A 36 36 ASP H H 36 7.460 7.692 -0.232 1
1 266 . 6 1 1 A 36 36 ASP HA H 36 4.760 4.992 -0.232 1
1 269 . 6 1 1 A 37 37 ASP H H 37 8.330 8.389 -0.059 1
1 270 . 6 1 1 A 37 37 ASP HA H 37 3.940 4.734 -0.794 1
1 273 . 6 1 1 A 38 38 SER H H 38 8.460 8.104 0.356 1
1 274 . 6 1 1 A 38 38 SER HA H 38 4.210 4.516 -0.306 1
1 277 . 6 1 1 A 39 39 LYS H H 39 8.450 7.677 0.773 1
1 278 . 6 1 1 A 39 39 LYS HA H 39 4.900 4.467 0.433 1
1 287 . 6 1 1 A 40 40 SER H H 40 8.350 8.705 -0.355 1
1 288 . 6 1 1 A 40 40 SER HA H 40 4.310 4.185 0.125 1
1 291 . 6 1 1 A 41 41 TRP H H 41 7.440 8.159 -0.719 1
1 292 . 6 1 1 A 41 41 TRP HA H 41 4.850 4.845 0.005 1
1 301 . 6 1 1 A 42 42 TRP H H 42 9.360 9.127 0.233 1
1 302 . 6 1 1 A 42 42 TRP HA H 42 5.440 5.124 0.316 1
1 311 . 6 1 1 A 43 43 ARG H H 43 8.810 9.348 -0.538 1
1 312 . 6 1 1 A 43 43 ARG HA H 43 4.540 4.608 -0.068 1
1 320 . 6 1 1 A 44 44 VAL H H 44 9.210 8.773 0.437 1
1 321 . 6 1 1 A 44 44 VAL HA H 44 5.510 5.178 0.332 1
1 329 . 6 1 1 A 45 45 ARG H H 45 9.260 9.180 0.080 1
1 330 . 6 1 1 A 45 45 ARG HA H 45 5.510 5.331 0.179 1
1 338 . 6 1 1 A 46 46 ASN H H 46 8.820 9.185 -0.365 1
1 339 . 6 1 1 A 46 46 ASN HA H 46 5.470 5.300 0.170 1
1 344 . 6 1 1 A 47 47 SER H H 47 9.730 9.096 0.634 1
1 345 . 6 1 1 A 47 47 SER HA H 47 4.320 4.451 -0.131 1
1 348 . 6 1 1 A 48 48 MET H H 48 7.650 8.024 -0.374 1
1 349 . 6 1 1 A 48 48 MET HA H 48 4.720 4.581 0.139 1
1 357 . 6 1 1 A 49 49 ASN H H 49 8.430 8.083 0.347 1
1 358 . 6 1 1 A 49 49 ASN HA H 49 4.200 4.466 -0.266 1
1 363 . 6 1 1 A 50 50 LYS H H 50 8.090 7.787 0.303 1
1 364 . 6 1 1 A 50 50 LYS HA H 50 4.560 4.296 0.264 1
1 373 . 6 1 1 A 51 51 THR H H 51 8.310 8.698 -0.388 1
1 374 . 6 1 1 A 51 51 THR HA H 51 5.730 5.241 0.489 1
1 379 . 6 1 1 A 52 52 GLY H H 52 8.630 8.063 0.567 1
1 380 . 6 1 1 A 52 52 GLY HA2 H 52 4.090 4.221 -0.131 1
1 381 . 6 1 1 A 52 52 GLY HA3 H 52 3.920 4.279 -0.359 1
1 382 . 6 1 1 A 53 53 PHE H H 53 9.020 8.787 0.233 1
1 383 . 6 1 1 A 53 53 PHE HA H 53 5.860 5.242 0.618 1
1 391 . 6 1 1 A 54 54 VAL H H 54 9.150 9.061 0.089 1
1 399 . 6 1 1 A 55 55 PRO HA H 55 3.230 4.374 -1.144 1
1 406 . 6 1 1 A 56 56 SER H H 56 7.790 8.055 -0.265 1
1 407 . 6 1 1 A 57 57 ASN HA H 57 4.480 4.555 -0.075 1
1 412 . 6 1 1 A 58 58 TYR H H 58 7.950 8.053 -0.103 1
1 413 . 6 1 1 A 58 58 TYR HA H 58 4.460 4.634 -0.174 1
1 420 . 6 1 1 A 59 59 VAL H H 59 7.300 7.556 -0.256 1
1 421 . 6 1 1 A 59 59 VAL HA H 59 5.080 4.929 0.151 1
1 429 . 6 1 1 A 60 60 GLU H H 60 8.670 8.716 -0.046 1
1 430 . 6 1 1 A 60 60 GLU HA H 60 4.780 4.870 -0.090 1
1 435 . 6 1 1 A 61 61 ARG H H 61 9.080 8.698 0.382 1
1 436 . 6 1 1 A 61 61 ARG HA H 61 4.540 4.583 -0.043 1
1 444 . 6 1 1 A 62 62 LYS H H 62 8.540 8.431 0.109 1
1 445 . 6 1 1 A 62 62 LYS HA H 62 4.370 4.133 0.237 1
1 454 . 6 1 1 A 63 63 ASN H H 63 8.660 9.041 -0.381 1
1 455 . 6 1 1 A 63 63 ASN HA H 63 4.760 4.417 0.343 1
1 460 . 6 1 1 A 64 64 SER H H 64 8.380 7.639 0.741 1
1 461 . 6 1 1 A 64 64 SER HA H 64 4.420 4.554 -0.134 1
1 464 . 6 1 1 A 65 65 ALA H H 65 8.380 8.653 -0.273 1
1 465 . 6 1 1 A 65 65 ALA HA H 65 4.310 4.806 -0.496 1
1 469 . 6 1 1 A 66 66 ARG H H 66 8.240 8.685 -0.445 1
1 470 . 6 1 1 A 66 66 ARG HA H 66 4.290 4.041 0.249 1
1 477 . 6 1 1 A 67 67 ALA H H 67 8.290 8.586 -0.296 1
1 478 . 6 1 1 A 67 67 ALA HA H 67 4.290 3.976 0.314 1
1 482 . 6 1 1 A 68 68 ALA H H 68 8.270 7.692 0.578 1
1 483 . 6 1 1 A 68 68 ALA HA H 68 4.290 4.674 -0.384 1
1 487 . 6 1 1 A 69 69 ALA H H 69 8.240 7.515 0.725 1
1 488 . 6 1 1 A 69 69 ALA HA H 69 4.320 3.945 0.375 1
1 492 . 6 1 1 A 70 70 ASN H H 70 8.390 8.295 0.095 1
1 493 . 6 1 1 A 70 70 ASN HA H 70 4.750 4.489 0.261 1
1 496 . 6 1 1 A 71 71 SER H H 71 8.250 7.505 0.745 1
1 497 . 6 1 1 A 71 71 SER HA H 71 4.520 4.288 0.232 1
1 1 . 7 1 1 A 2 2 SER HA H 2 4.600 4.695 -0.095 1
1 4 . 7 1 1 A 3 3 THR H H 3 8.340 8.608 -0.268 1
1 5 . 7 1 1 A 3 3 THR HA H 3 4.380 4.175 0.205 1
1 10 . 7 1 1 A 4 4 MET H H 4 8.430 8.669 -0.239 1
1 11 . 7 1 1 A 4 4 MET HA H 4 4.460 4.524 -0.064 1
1 16 . 7 1 1 A 5 5 ALA H H 5 8.340 8.332 0.008 1
1 17 . 7 1 1 A 5 5 ALA HA H 5 4.300 4.273 0.027 1
1 21 . 7 1 1 A 6 6 GLU H H 6 8.220 8.544 -0.324 1
1 22 . 7 1 1 A 6 6 GLU HA H 6 4.300 4.485 -0.185 1
1 27 . 7 1 1 A 7 7 GLU H H 7 8.470 8.892 -0.422 1
1 28 . 7 1 1 A 7 7 GLU HA H 7 4.440 4.495 -0.055 1
1 33 . 7 1 1 A 8 8 VAL H H 8 8.500 8.342 0.158 1
1 34 . 7 1 1 A 8 8 VAL HA H 8 4.210 4.751 -0.541 1
1 42 . 7 1 1 A 9 9 VAL H H 9 8.360 8.750 -0.390 1
1 43 . 7 1 1 A 9 9 VAL HA H 9 4.430 4.954 -0.524 1
1 51 . 7 1 1 A 10 10 VAL H H 10 8.890 8.886 0.004 1
1 52 . 7 1 1 A 10 10 VAL HA H 10 4.980 5.328 -0.348 1
1 60 . 7 1 1 A 11 11 VAL H H 11 8.540 9.321 -0.781 1
1 61 . 7 1 1 A 11 11 VAL HA H 11 5.000 4.844 0.156 1
1 69 . 7 1 1 A 12 12 ALA H H 12 8.760 8.876 -0.116 1
1 70 . 7 1 1 A 12 12 ALA HA H 12 4.580 4.927 -0.347 1
1 74 . 7 1 1 A 13 13 LYS H H 13 9.370 9.051 0.319 1
1 75 . 7 1 1 A 13 13 LYS HA H 13 3.850 4.154 -0.304 1
1 84 . 7 1 1 A 14 14 PHE H H 14 7.140 7.588 -0.448 1
1 85 . 7 1 1 A 14 14 PHE HA H 14 4.810 5.097 -0.287 1
1 93 . 7 1 1 A 15 15 ASP H H 15 8.360 9.090 -0.730 1
1 94 . 7 1 1 A 15 15 ASP HA H 15 4.790 5.768 -0.978 1
1 97 . 7 1 1 A 16 16 TYR H H 16 8.850 8.896 -0.046 1
1 98 . 7 1 1 A 16 16 TYR HA H 16 4.750 5.176 -0.426 1
1 105 . 7 1 1 A 17 17 VAL H H 17 7.190 8.316 -1.126 1
1 106 . 7 1 1 A 17 17 VAL HA H 17 4.150 4.208 -0.058 1
1 114 . 7 1 1 A 18 18 ALA H H 18 8.640 8.166 0.474 1
1 115 . 7 1 1 A 18 18 ALA HA H 18 4.230 4.716 -0.486 1
1 119 . 7 1 1 A 19 19 GLN H H 19 9.090 8.735 0.355 1
1 120 . 7 1 1 A 19 19 GLN HA H 19 4.310 3.924 0.386 1
1 127 . 7 1 1 A 20 20 GLN H H 20 7.210 8.042 -0.832 1
1 128 . 7 1 1 A 20 20 GLN HA H 20 4.590 4.377 0.213 1
1 135 . 7 1 1 A 21 21 GLU H H 21 8.980 8.960 0.020 1
1 136 . 7 1 1 A 21 21 GLU HA H 21 4.100 4.083 0.017 1
1 141 . 7 1 1 A 22 22 GLN H H 22 8.460 7.922 0.538 1
1 142 . 7 1 1 A 22 22 GLN HA H 22 4.550 4.133 0.417 1
1 149 . 7 1 1 A 23 23 GLU H H 23 7.730 7.974 -0.244 1
1 150 . 7 1 1 A 23 23 GLU HA H 23 5.330 4.551 0.779 1
1 155 . 7 1 1 A 24 24 LEU H H 24 7.910 8.707 -0.797 1
1 156 . 7 1 1 A 24 24 LEU HA H 24 4.680 5.145 -0.465 1
1 166 . 7 1 1 A 25 25 ASP H H 25 7.640 8.830 -1.190 1
1 167 . 7 1 1 A 25 25 ASP HA H 25 5.150 4.847 0.303 1
1 170 . 7 1 1 A 26 26 ILE H H 26 8.930 8.725 0.205 1
1 171 . 7 1 1 A 26 26 ILE HA H 26 5.120 5.353 -0.233 1
1 181 . 7 1 1 A 27 27 LYS H H 27 8.940 8.406 0.534 1
1 182 . 7 1 1 A 27 27 LYS HA H 27 5.090 4.828 0.262 1
1 191 . 7 1 1 A 28 28 LYS H H 28 8.990 8.617 0.373 1
1 192 . 7 1 1 A 28 28 LYS HA H 28 3.110 3.973 -0.863 1
1 201 . 7 1 1 A 29 29 ASN H H 29 8.690 9.139 -0.449 1
1 202 . 7 1 1 A 29 29 ASN HA H 29 4.170 4.156 0.014 1
1 207 . 7 1 1 A 30 30 GLU H H 30 8.650 7.868 0.782 1
1 208 . 7 1 1 A 30 30 GLU HA H 30 4.170 4.897 -0.727 1
1 213 . 7 1 1 A 31 31 ARG H H 31 8.500 8.739 -0.239 1
1 214 . 7 1 1 A 31 31 ARG HA H 31 4.580 4.640 -0.060 1
1 222 . 7 1 1 A 32 32 LEU H H 32 8.860 9.161 -0.301 1
1 223 . 7 1 1 A 32 32 LEU HA H 32 4.840 4.566 0.274 1
1 233 . 7 1 1 A 33 33 TRP H H 33 9.160 8.685 0.475 1
1 234 . 7 1 1 A 33 33 TRP HA H 33 5.100 5.307 -0.207 1
1 243 . 7 1 1 A 34 34 LEU H H 34 9.130 8.735 0.395 1
1 244 . 7 1 1 A 34 34 LEU HA H 34 4.330 4.453 -0.123 1
1 254 . 7 1 1 A 35 35 LEU H H 35 9.020 8.939 0.081 1
1 255 . 7 1 1 A 35 35 LEU HA H 35 4.610 4.349 0.261 1
1 265 . 7 1 1 A 36 36 ASP H H 36 7.460 7.612 -0.152 1
1 266 . 7 1 1 A 36 36 ASP HA H 36 4.760 4.832 -0.072 1
1 269 . 7 1 1 A 37 37 ASP H H 37 8.330 8.417 -0.087 1
1 270 . 7 1 1 A 37 37 ASP HA H 37 3.940 4.649 -0.709 1
1 273 . 7 1 1 A 38 38 SER H H 38 8.460 8.187 0.273 1
1 274 . 7 1 1 A 38 38 SER HA H 38 4.210 4.613 -0.403 1
1 277 . 7 1 1 A 39 39 LYS H H 39 8.450 7.603 0.847 1
1 278 . 7 1 1 A 39 39 LYS HA H 39 4.900 4.466 0.434 1
1 287 . 7 1 1 A 40 40 SER H H 40 8.350 8.930 -0.580 1
1 288 . 7 1 1 A 40 40 SER HA H 40 4.310 4.210 0.100 1
1 291 . 7 1 1 A 41 41 TRP H H 41 7.440 8.181 -0.741 1
1 292 . 7 1 1 A 41 41 TRP HA H 41 4.850 4.875 -0.025 1
1 301 . 7 1 1 A 42 42 TRP H H 42 9.360 8.957 0.403 1
1 302 . 7 1 1 A 42 42 TRP HA H 42 5.440 5.124 0.316 1
1 311 . 7 1 1 A 43 43 ARG H H 43 8.810 9.107 -0.297 1
1 312 . 7 1 1 A 43 43 ARG HA H 43 4.540 4.555 -0.015 1
1 320 . 7 1 1 A 44 44 VAL H H 44 9.210 8.780 0.430 1
1 321 . 7 1 1 A 44 44 VAL HA H 44 5.510 5.149 0.361 1
1 329 . 7 1 1 A 45 45 ARG H H 45 9.260 9.124 0.136 1
1 330 . 7 1 1 A 45 45 ARG HA H 45 5.510 5.332 0.178 1
1 338 . 7 1 1 A 46 46 ASN H H 46 8.820 9.197 -0.377 1
1 339 . 7 1 1 A 46 46 ASN HA H 46 5.470 5.388 0.082 1
1 344 . 7 1 1 A 47 47 SER H H 47 9.730 9.059 0.671 1
1 345 . 7 1 1 A 47 47 SER HA H 47 4.320 4.387 -0.067 1
1 348 . 7 1 1 A 48 48 MET H H 48 7.650 8.011 -0.361 1
1 349 . 7 1 1 A 48 48 MET HA H 48 4.720 4.572 0.148 1
1 357 . 7 1 1 A 49 49 ASN H H 49 8.430 8.099 0.331 1
1 358 . 7 1 1 A 49 49 ASN HA H 49 4.200 4.453 -0.253 1
1 363 . 7 1 1 A 50 50 LYS H H 50 8.090 7.797 0.293 1
1 364 . 7 1 1 A 50 50 LYS HA H 50 4.560 4.293 0.267 1
1 373 . 7 1 1 A 51 51 THR H H 51 8.310 8.687 -0.377 1
1 374 . 7 1 1 A 51 51 THR HA H 51 5.730 5.225 0.505 1
1 379 . 7 1 1 A 52 52 GLY H H 52 8.630 8.072 0.558 1
1 380 . 7 1 1 A 52 52 GLY HA2 H 52 4.090 4.279 -0.189 1
1 381 . 7 1 1 A 52 52 GLY HA3 H 52 3.920 4.332 -0.412 1
1 382 . 7 1 1 A 53 53 PHE H H 53 9.020 8.702 0.318 1
1 383 . 7 1 1 A 53 53 PHE HA H 53 5.860 5.337 0.523 1
1 391 . 7 1 1 A 54 54 VAL H H 54 9.150 9.084 0.066 1
1 399 . 7 1 1 A 55 55 PRO HA H 55 3.230 4.400 -1.170 1
1 406 . 7 1 1 A 56 56 SER H H 56 7.790 8.026 -0.236 1
1 407 . 7 1 1 A 57 57 ASN HA H 57 4.480 4.624 -0.144 1
1 412 . 7 1 1 A 58 58 TYR H H 58 7.950 8.070 -0.120 1
1 413 . 7 1 1 A 58 58 TYR HA H 58 4.460 4.685 -0.225 1
1 420 . 7 1 1 A 59 59 VAL H H 59 7.300 7.484 -0.184 1
1 421 . 7 1 1 A 59 59 VAL HA H 59 5.080 5.058 0.022 1
1 429 . 7 1 1 A 60 60 GLU H H 60 8.670 8.511 0.159 1
1 430 . 7 1 1 A 60 60 GLU HA H 60 4.780 4.709 0.071 1
1 435 . 7 1 1 A 61 61 ARG H H 61 9.080 8.642 0.438 1
1 436 . 7 1 1 A 61 61 ARG HA H 61 4.540 4.413 0.127 1
1 444 . 7 1 1 A 62 62 LYS H H 62 8.540 8.714 -0.174 1
1 445 . 7 1 1 A 62 62 LYS HA H 62 4.370 4.147 0.223 1
1 454 . 7 1 1 A 63 63 ASN H H 63 8.660 8.733 -0.073 1
1 455 . 7 1 1 A 63 63 ASN HA H 63 4.760 4.758 0.002 1
1 460 . 7 1 1 A 64 64 SER H H 64 8.380 7.728 0.652 1
1 461 . 7 1 1 A 64 64 SER HA H 64 4.420 4.451 -0.031 1
1 464 . 7 1 1 A 65 65 ALA H H 65 8.380 8.527 -0.147 1
1 465 . 7 1 1 A 65 65 ALA HA H 65 4.310 4.852 -0.542 1
1 469 . 7 1 1 A 66 66 ARG H H 66 8.240 8.729 -0.489 1
1 470 . 7 1 1 A 66 66 ARG HA H 66 4.290 4.283 0.007 1
1 477 . 7 1 1 A 67 67 ALA H H 67 8.290 8.981 -0.691 1
1 478 . 7 1 1 A 67 67 ALA HA H 67 4.290 4.058 0.232 1
1 482 . 7 1 1 A 68 68 ALA H H 68 8.270 8.193 0.077 1
1 483 . 7 1 1 A 68 68 ALA HA H 68 4.290 4.093 0.197 1
1 487 . 7 1 1 A 69 69 ALA H H 69 8.240 7.653 0.587 1
1 488 . 7 1 1 A 69 69 ALA HA H 69 4.320 4.196 0.124 1
1 492 . 7 1 1 A 70 70 ASN H H 70 8.390 8.942 -0.552 1
1 493 . 7 1 1 A 70 70 ASN HA H 70 4.750 5.175 -0.425 1
1 496 . 7 1 1 A 71 71 SER H H 71 8.250 8.738 -0.488 1
1 497 . 7 1 1 A 71 71 SER HA H 71 4.520 4.467 0.053 1
1 1 . 8 1 1 A 2 2 SER HA H 2 4.600 4.650 -0.050 1
1 4 . 8 1 1 A 3 3 THR H H 3 8.340 7.787 0.553 1
1 5 . 8 1 1 A 3 3 THR HA H 3 4.380 4.617 -0.237 1
1 10 . 8 1 1 A 4 4 MET H H 4 8.430 8.853 -0.423 1
1 11 . 8 1 1 A 4 4 MET HA H 4 4.460 5.137 -0.677 1
1 16 . 8 1 1 A 5 5 ALA H H 5 8.340 8.535 -0.195 1
1 17 . 8 1 1 A 5 5 ALA HA H 5 4.300 4.757 -0.457 1
1 21 . 8 1 1 A 6 6 GLU H H 6 8.220 8.532 -0.312 1
1 22 . 8 1 1 A 6 6 GLU HA H 6 4.300 4.121 0.179 1
1 27 . 8 1 1 A 7 7 GLU H H 7 8.470 8.605 -0.135 1
1 28 . 8 1 1 A 7 7 GLU HA H 7 4.440 5.043 -0.603 1
1 33 . 8 1 1 A 8 8 VAL H H 8 8.500 8.551 -0.051 1
1 34 . 8 1 1 A 8 8 VAL HA H 8 4.210 4.840 -0.630 1
1 42 . 8 1 1 A 9 9 VAL H H 9 8.360 8.809 -0.449 1
1 43 . 8 1 1 A 9 9 VAL HA H 9 4.430 4.968 -0.538 1
1 51 . 8 1 1 A 10 10 VAL H H 10 8.890 8.988 -0.098 1
1 52 . 8 1 1 A 10 10 VAL HA H 10 4.980 5.201 -0.221 1
1 60 . 8 1 1 A 11 11 VAL H H 11 8.540 9.052 -0.512 1
1 61 . 8 1 1 A 11 11 VAL HA H 11 5.000 4.943 0.057 1
1 69 . 8 1 1 A 12 12 ALA H H 12 8.760 9.119 -0.359 1
1 70 . 8 1 1 A 12 12 ALA HA H 12 4.580 5.082 -0.502 1
1 74 . 8 1 1 A 13 13 LYS H H 13 9.370 8.881 0.489 1
1 75 . 8 1 1 A 13 13 LYS HA H 13 3.850 4.324 -0.474 1
1 84 . 8 1 1 A 14 14 PHE H H 14 7.140 7.630 -0.490 1
1 85 . 8 1 1 A 14 14 PHE HA H 14 4.810 5.126 -0.316 1
1 93 . 8 1 1 A 15 15 ASP H H 15 8.360 9.062 -0.702 1
1 94 . 8 1 1 A 15 15 ASP HA H 15 4.790 5.692 -0.902 1
1 97 . 8 1 1 A 16 16 TYR H H 16 8.850 8.891 -0.041 1
1 98 . 8 1 1 A 16 16 TYR HA H 16 4.750 5.190 -0.440 1
1 105 . 8 1 1 A 17 17 VAL H H 17 7.190 8.303 -1.113 1
1 106 . 8 1 1 A 17 17 VAL HA H 17 4.150 4.204 -0.054 1
1 114 . 8 1 1 A 18 18 ALA H H 18 8.640 8.176 0.464 1
1 115 . 8 1 1 A 18 18 ALA HA H 18 4.230 4.723 -0.493 1
1 119 . 8 1 1 A 19 19 GLN H H 19 9.090 8.159 0.931 1
1 120 . 8 1 1 A 19 19 GLN HA H 19 4.310 3.912 0.398 1
1 127 . 8 1 1 A 20 20 GLN H H 20 7.210 7.984 -0.774 1
1 128 . 8 1 1 A 20 20 GLN HA H 20 4.590 4.242 0.348 1
1 135 . 8 1 1 A 21 21 GLU H H 21 8.980 8.882 0.098 1
1 136 . 8 1 1 A 21 21 GLU HA H 21 4.100 4.055 0.045 1
1 141 . 8 1 1 A 22 22 GLN H H 22 8.460 7.841 0.619 1
1 142 . 8 1 1 A 22 22 GLN HA H 22 4.550 4.116 0.434 1
1 149 . 8 1 1 A 23 23 GLU H H 23 7.730 7.883 -0.153 1
1 150 . 8 1 1 A 23 23 GLU HA H 23 5.330 4.572 0.758 1
1 155 . 8 1 1 A 24 24 LEU H H 24 7.910 8.671 -0.761 1
1 156 . 8 1 1 A 24 24 LEU HA H 24 4.680 5.333 -0.653 1
1 166 . 8 1 1 A 25 25 ASP H H 25 7.640 8.881 -1.241 1
1 167 . 8 1 1 A 25 25 ASP HA H 25 5.150 5.086 0.064 1
1 170 . 8 1 1 A 26 26 ILE H H 26 8.930 8.721 0.209 1
1 171 . 8 1 1 A 26 26 ILE HA H 26 5.120 5.356 -0.236 1
1 181 . 8 1 1 A 27 27 LYS H H 27 8.940 8.739 0.201 1
1 182 . 8 1 1 A 27 27 LYS HA H 27 5.090 4.826 0.264 1
1 191 . 8 1 1 A 28 28 LYS H H 28 8.990 8.609 0.381 1
1 192 . 8 1 1 A 28 28 LYS HA H 28 3.110 3.983 -0.873 1
1 201 . 8 1 1 A 29 29 ASN H H 29 8.690 8.750 -0.060 1
1 202 . 8 1 1 A 29 29 ASN HA H 29 4.170 4.306 -0.136 1
1 207 . 8 1 1 A 30 30 GLU H H 30 8.650 7.492 1.158 1
1 208 . 8 1 1 A 30 30 GLU HA H 30 4.170 4.815 -0.645 1
1 213 . 8 1 1 A 31 31 ARG H H 31 8.500 8.574 -0.074 1
1 214 . 8 1 1 A 31 31 ARG HA H 31 4.580 4.664 -0.084 1
1 222 . 8 1 1 A 32 32 LEU H H 32 8.860 9.393 -0.533 1
1 223 . 8 1 1 A 32 32 LEU HA H 32 4.840 4.881 -0.041 1
1 233 . 8 1 1 A 33 33 TRP H H 33 9.160 8.804 0.356 1
1 234 . 8 1 1 A 33 33 TRP HA H 33 5.100 5.162 -0.062 1
1 243 . 8 1 1 A 34 34 LEU H H 34 9.130 8.466 0.664 1
1 244 . 8 1 1 A 34 34 LEU HA H 34 4.330 4.357 -0.027 1
1 254 . 8 1 1 A 35 35 LEU H H 35 9.020 9.019 0.001 1
1 255 . 8 1 1 A 35 35 LEU HA H 35 4.610 4.379 0.231 1
1 265 . 8 1 1 A 36 36 ASP H H 36 7.460 7.788 -0.328 1
1 266 . 8 1 1 A 36 36 ASP HA H 36 4.760 4.984 -0.224 1
1 269 . 8 1 1 A 37 37 ASP H H 37 8.330 8.409 -0.079 1
1 270 . 8 1 1 A 37 37 ASP HA H 37 3.940 4.728 -0.788 1
1 273 . 8 1 1 A 38 38 SER H H 38 8.460 8.171 0.289 1
1 274 . 8 1 1 A 38 38 SER HA H 38 4.210 4.585 -0.375 1
1 277 . 8 1 1 A 39 39 LYS H H 39 8.450 7.659 0.791 1
1 278 . 8 1 1 A 39 39 LYS HA H 39 4.900 4.475 0.425 1
1 287 . 8 1 1 A 40 40 SER H H 40 8.350 8.761 -0.411 1
1 288 . 8 1 1 A 40 40 SER HA H 40 4.310 4.170 0.140 1
1 291 . 8 1 1 A 41 41 TRP H H 41 7.440 8.214 -0.774 1
1 292 . 8 1 1 A 41 41 TRP HA H 41 4.850 5.068 -0.218 1
1 301 . 8 1 1 A 42 42 TRP H H 42 9.360 9.395 -0.035 1
1 302 . 8 1 1 A 42 42 TRP HA H 42 5.440 5.139 0.301 1
1 311 . 8 1 1 A 43 43 ARG H H 43 8.810 9.301 -0.491 1
1 312 . 8 1 1 A 43 43 ARG HA H 43 4.540 4.409 0.131 1
1 320 . 8 1 1 A 44 44 VAL H H 44 9.210 8.681 0.529 1
1 321 . 8 1 1 A 44 44 VAL HA H 44 5.510 5.189 0.321 1
1 329 . 8 1 1 A 45 45 ARG H H 45 9.260 9.107 0.153 1
1 330 . 8 1 1 A 45 45 ARG HA H 45 5.510 5.310 0.200 1
1 338 . 8 1 1 A 46 46 ASN H H 46 8.820 9.195 -0.375 1
1 339 . 8 1 1 A 46 46 ASN HA H 46 5.470 5.368 0.102 1
1 344 . 8 1 1 A 47 47 SER H H 47 9.730 9.052 0.678 1
1 345 . 8 1 1 A 47 47 SER HA H 47 4.320 4.456 -0.136 1
1 348 . 8 1 1 A 48 48 MET H H 48 7.650 8.013 -0.363 1
1 349 . 8 1 1 A 48 48 MET HA H 48 4.720 4.590 0.130 1
1 357 . 8 1 1 A 49 49 ASN H H 49 8.430 8.229 0.201 1
1 358 . 8 1 1 A 49 49 ASN HA H 49 4.200 4.466 -0.266 1
1 363 . 8 1 1 A 50 50 LYS H H 50 8.090 7.833 0.257 1
1 364 . 8 1 1 A 50 50 LYS HA H 50 4.560 4.349 0.211 1
1 373 . 8 1 1 A 51 51 THR H H 51 8.310 8.697 -0.387 1
1 374 . 8 1 1 A 51 51 THR HA H 51 5.730 5.279 0.451 1
1 379 . 8 1 1 A 52 52 GLY H H 52 8.630 8.086 0.544 1
1 380 . 8 1 1 A 52 52 GLY HA2 H 52 4.090 4.234 -0.144 1
1 381 . 8 1 1 A 52 52 GLY HA3 H 52 3.920 4.278 -0.358 1
1 382 . 8 1 1 A 53 53 PHE H H 53 9.020 8.835 0.185 1
1 383 . 8 1 1 A 53 53 PHE HA H 53 5.860 5.060 0.800 1
1 391 . 8 1 1 A 54 54 VAL H H 54 9.150 9.057 0.093 1
1 399 . 8 1 1 A 55 55 PRO HA H 55 3.230 4.364 -1.134 1
1 406 . 8 1 1 A 56 56 SER H H 56 7.790 7.955 -0.165 1
1 407 . 8 1 1 A 57 57 ASN HA H 57 4.480 4.662 -0.182 1
1 412 . 8 1 1 A 58 58 TYR H H 58 7.950 8.035 -0.085 1
1 413 . 8 1 1 A 58 58 TYR HA H 58 4.460 4.643 -0.183 1
1 420 . 8 1 1 A 59 59 VAL H H 59 7.300 7.483 -0.183 1
1 421 . 8 1 1 A 59 59 VAL HA H 59 5.080 5.011 0.069 1
1 429 . 8 1 1 A 60 60 GLU H H 60 8.670 8.389 0.281 1
1 430 . 8 1 1 A 60 60 GLU HA H 60 4.780 4.787 -0.007 1
1 435 . 8 1 1 A 61 61 ARG H H 61 9.080 8.688 0.392 1
1 436 . 8 1 1 A 61 61 ARG HA H 61 4.540 4.649 -0.109 1
1 444 . 8 1 1 A 62 62 LYS H H 62 8.540 8.404 0.136 1
1 445 . 8 1 1 A 62 62 LYS HA H 62 4.370 4.116 0.254 1
1 454 . 8 1 1 A 63 63 ASN H H 63 8.660 8.834 -0.174 1
1 455 . 8 1 1 A 63 63 ASN HA H 63 4.760 5.004 -0.244 1
1 460 . 8 1 1 A 64 64 SER H H 64 8.380 7.893 0.487 1
1 461 . 8 1 1 A 64 64 SER HA H 64 4.420 4.448 -0.028 1
1 464 . 8 1 1 A 65 65 ALA H H 65 8.380 8.294 0.086 1
1 465 . 8 1 1 A 65 65 ALA HA H 65 4.310 4.697 -0.387 1
1 469 . 8 1 1 A 66 66 ARG H H 66 8.240 8.816 -0.576 1
1 470 . 8 1 1 A 66 66 ARG HA H 66 4.290 4.443 -0.153 1
1 477 . 8 1 1 A 67 67 ALA H H 67 8.290 8.751 -0.461 1
1 478 . 8 1 1 A 67 67 ALA HA H 67 4.290 4.086 0.204 1
1 482 . 8 1 1 A 68 68 ALA H H 68 8.270 7.957 0.313 1
1 483 . 8 1 1 A 68 68 ALA HA H 68 4.290 4.451 -0.161 1
1 487 . 8 1 1 A 69 69 ALA H H 69 8.240 8.088 0.152 1
1 488 . 8 1 1 A 69 69 ALA HA H 69 4.320 4.459 -0.139 1
1 492 . 8 1 1 A 70 70 ASN H H 70 8.390 7.618 0.772 1
1 493 . 8 1 1 A 70 70 ASN HA H 70 4.750 4.983 -0.233 1
1 496 . 8 1 1 A 71 71 SER H H 71 8.250 8.640 -0.390 1
1 497 . 8 1 1 A 71 71 SER HA H 71 4.520 4.771 -0.251 1
1 1 . 9 1 1 A 2 2 SER HA H 2 4.600 4.688 -0.088 1
1 4 . 9 1 1 A 3 3 THR H H 3 8.340 7.829 0.511 1
1 5 . 9 1 1 A 3 3 THR HA H 3 4.380 4.226 0.154 1
1 10 . 9 1 1 A 4 4 MET H H 4 8.430 8.674 -0.244 1
1 11 . 9 1 1 A 4 4 MET HA H 4 4.460 4.380 0.080 1
1 16 . 9 1 1 A 5 5 ALA H H 5 8.340 8.762 -0.422 1
1 17 . 9 1 1 A 5 5 ALA HA H 5 4.300 4.371 -0.071 1
1 21 . 9 1 1 A 6 6 GLU H H 6 8.220 8.621 -0.401 1
1 22 . 9 1 1 A 6 6 GLU HA H 6 4.300 5.056 -0.756 1
1 27 . 9 1 1 A 7 7 GLU H H 7 8.470 8.958 -0.488 1
1 28 . 9 1 1 A 7 7 GLU HA H 7 4.440 5.057 -0.617 1
1 33 . 9 1 1 A 8 8 VAL H H 8 8.500 8.620 -0.120 1
1 34 . 9 1 1 A 8 8 VAL HA H 8 4.210 4.798 -0.588 1
1 42 . 9 1 1 A 9 9 VAL H H 9 8.360 8.892 -0.532 1
1 43 . 9 1 1 A 9 9 VAL HA H 9 4.430 4.952 -0.522 1
1 51 . 9 1 1 A 10 10 VAL H H 10 8.890 8.708 0.182 1
1 52 . 9 1 1 A 10 10 VAL HA H 10 4.980 5.296 -0.316 1
1 60 . 9 1 1 A 11 11 VAL H H 11 8.540 9.120 -0.580 1
1 61 . 9 1 1 A 11 11 VAL HA H 11 5.000 5.029 -0.029 1
1 69 . 9 1 1 A 12 12 ALA H H 12 8.760 8.688 0.072 1
1 70 . 9 1 1 A 12 12 ALA HA H 12 4.580 4.388 0.192 1
1 74 . 9 1 1 A 13 13 LYS H H 13 9.370 8.355 1.015 1
1 75 . 9 1 1 A 13 13 LYS HA H 13 3.850 4.055 -0.205 1
1 84 . 9 1 1 A 14 14 PHE H H 14 7.140 7.555 -0.415 1
1 85 . 9 1 1 A 14 14 PHE HA H 14 4.810 5.059 -0.249 1
1 93 . 9 1 1 A 15 15 ASP H H 15 8.360 9.085 -0.725 1
1 94 . 9 1 1 A 15 15 ASP HA H 15 4.790 5.881 -1.091 1
1 97 . 9 1 1 A 16 16 TYR H H 16 8.850 8.975 -0.125 1
1 98 . 9 1 1 A 16 16 TYR HA H 16 4.750 5.256 -0.506 1
1 105 . 9 1 1 A 17 17 VAL H H 17 7.190 8.372 -1.182 1
1 106 . 9 1 1 A 17 17 VAL HA H 17 4.150 4.288 -0.138 1
1 114 . 9 1 1 A 18 18 ALA H H 18 8.640 8.160 0.480 1
1 115 . 9 1 1 A 18 18 ALA HA H 18 4.230 4.320 -0.090 1
1 119 . 9 1 1 A 19 19 GLN H H 19 9.090 8.569 0.521 1
1 120 . 9 1 1 A 19 19 GLN HA H 19 4.310 3.953 0.357 1
1 127 . 9 1 1 A 20 20 GLN H H 20 7.210 8.203 -0.993 1
1 128 . 9 1 1 A 20 20 GLN HA H 20 4.590 4.408 0.182 1
1 135 . 9 1 1 A 21 21 GLU H H 21 8.980 8.911 0.069 1
1 136 . 9 1 1 A 21 21 GLU HA H 21 4.100 4.096 0.004 1
1 141 . 9 1 1 A 22 22 GLN H H 22 8.460 8.079 0.381 1
1 142 . 9 1 1 A 22 22 GLN HA H 22 4.550 4.008 0.542 1
1 149 . 9 1 1 A 23 23 GLU H H 23 7.730 7.901 -0.171 1
1 150 . 9 1 1 A 23 23 GLU HA H 23 5.330 4.548 0.782 1
1 155 . 9 1 1 A 24 24 LEU H H 24 7.910 8.725 -0.815 1
1 156 . 9 1 1 A 24 24 LEU HA H 24 4.680 5.152 -0.472 1
1 166 . 9 1 1 A 25 25 ASP H H 25 7.640 8.883 -1.243 1
1 167 . 9 1 1 A 25 25 ASP HA H 25 5.150 5.173 -0.023 1
1 170 . 9 1 1 A 26 26 ILE H H 26 8.930 8.856 0.074 1
1 171 . 9 1 1 A 26 26 ILE HA H 26 5.120 5.279 -0.159 1
1 181 . 9 1 1 A 27 27 LYS H H 27 8.940 8.730 0.210 1
1 182 . 9 1 1 A 27 27 LYS HA H 27 5.090 4.823 0.267 1
1 191 . 9 1 1 A 28 28 LYS H H 28 8.990 8.599 0.391 1
1 192 . 9 1 1 A 28 28 LYS HA H 28 3.110 3.940 -0.830 1
1 201 . 9 1 1 A 29 29 ASN H H 29 8.690 9.249 -0.559 1
1 202 . 9 1 1 A 29 29 ASN HA H 29 4.170 4.196 -0.026 1
1 207 . 9 1 1 A 30 30 GLU H H 30 8.650 7.444 1.206 1
1 208 . 9 1 1 A 30 30 GLU HA H 30 4.170 4.861 -0.691 1
1 213 . 9 1 1 A 31 31 ARG H H 31 8.500 8.711 -0.211 1
1 214 . 9 1 1 A 31 31 ARG HA H 31 4.580 4.549 0.031 1
1 222 . 9 1 1 A 32 32 LEU H H 32 8.860 9.230 -0.370 1
1 223 . 9 1 1 A 32 32 LEU HA H 32 4.840 4.592 0.248 1
1 233 . 9 1 1 A 33 33 TRP H H 33 9.160 8.566 0.594 1
1 234 . 9 1 1 A 33 33 TRP HA H 33 5.100 5.304 -0.204 1
1 243 . 9 1 1 A 34 34 LEU H H 34 9.130 8.843 0.287 1
1 244 . 9 1 1 A 34 34 LEU HA H 34 4.330 4.483 -0.153 1
1 254 . 9 1 1 A 35 35 LEU H H 35 9.020 9.003 0.017 1
1 255 . 9 1 1 A 35 35 LEU HA H 35 4.610 4.433 0.177 1
1 265 . 9 1 1 A 36 36 ASP H H 36 7.460 7.806 -0.346 1
1 266 . 9 1 1 A 36 36 ASP HA H 36 4.760 4.924 -0.164 1
1 269 . 9 1 1 A 37 37 ASP H H 37 8.330 8.416 -0.086 1
1 270 . 9 1 1 A 37 37 ASP HA H 37 3.940 4.328 -0.388 1
1 273 . 9 1 1 A 38 38 SER H H 38 8.460 8.310 0.150 1
1 274 . 9 1 1 A 38 38 SER HA H 38 4.210 4.632 -0.422 1
1 277 . 9 1 1 A 39 39 LYS H H 39 8.450 7.658 0.792 1
1 278 . 9 1 1 A 39 39 LYS HA H 39 4.900 4.462 0.438 1
1 287 . 9 1 1 A 40 40 SER H H 40 8.350 8.929 -0.579 1
1 288 . 9 1 1 A 40 40 SER HA H 40 4.310 4.192 0.118 1
1 291 . 9 1 1 A 41 41 TRP H H 41 7.440 8.191 -0.751 1
1 292 . 9 1 1 A 41 41 TRP HA H 41 4.850 4.840 0.010 1
1 301 . 9 1 1 A 42 42 TRP H H 42 9.360 8.947 0.413 1
1 302 . 9 1 1 A 42 42 TRP HA H 42 5.440 5.051 0.389 1
1 311 . 9 1 1 A 43 43 ARG H H 43 8.810 9.137 -0.327 1
1 312 . 9 1 1 A 43 43 ARG HA H 43 4.540 4.478 0.062 1
1 320 . 9 1 1 A 44 44 VAL H H 44 9.210 8.735 0.475 1
1 321 . 9 1 1 A 44 44 VAL HA H 44 5.510 5.128 0.382 1
1 329 . 9 1 1 A 45 45 ARG H H 45 9.260 9.236 0.024 1
1 330 . 9 1 1 A 45 45 ARG HA H 45 5.510 5.234 0.276 1
1 338 . 9 1 1 A 46 46 ASN H H 46 8.820 9.146 -0.326 1
1 339 . 9 1 1 A 46 46 ASN HA H 46 5.470 5.452 0.018 1
1 344 . 9 1 1 A 47 47 SER H H 47 9.730 9.019 0.711 1
1 345 . 9 1 1 A 47 47 SER HA H 47 4.320 4.544 -0.224 1
1 348 . 9 1 1 A 48 48 MET H H 48 7.650 8.030 -0.380 1
1 349 . 9 1 1 A 48 48 MET HA H 48 4.720 4.584 0.136 1
1 357 . 9 1 1 A 49 49 ASN H H 49 8.430 8.108 0.322 1
1 358 . 9 1 1 A 49 49 ASN HA H 49 4.200 4.464 -0.264 1
1 363 . 9 1 1 A 50 50 LYS H H 50 8.090 7.839 0.251 1
1 364 . 9 1 1 A 50 50 LYS HA H 50 4.560 4.297 0.263 1
1 373 . 9 1 1 A 51 51 THR H H 51 8.310 8.625 -0.315 1
1 374 . 9 1 1 A 51 51 THR HA H 51 5.730 5.262 0.468 1
1 379 . 9 1 1 A 52 52 GLY H H 52 8.630 8.080 0.550 1
1 380 . 9 1 1 A 52 52 GLY HA2 H 52 4.090 4.209 -0.119 1
1 381 . 9 1 1 A 52 52 GLY HA3 H 52 3.920 4.258 -0.338 1
1 382 . 9 1 1 A 53 53 PHE H H 53 9.020 8.839 0.181 1
1 383 . 9 1 1 A 53 53 PHE HA H 53 5.860 5.203 0.657 1
1 391 . 9 1 1 A 54 54 VAL H H 54 9.150 8.959 0.191 1
1 399 . 9 1 1 A 55 55 PRO HA H 55 3.230 4.301 -1.071 1
1 406 . 9 1 1 A 56 56 SER H H 56 7.790 8.375 -0.585 1
1 407 . 9 1 1 A 57 57 ASN HA H 57 4.480 4.522 -0.042 1
1 412 . 9 1 1 A 58 58 TYR H H 58 7.950 7.827 0.123 1
1 413 . 9 1 1 A 58 58 TYR HA H 58 4.460 4.638 -0.178 1
1 420 . 9 1 1 A 59 59 VAL H H 59 7.300 7.504 -0.204 1
1 421 . 9 1 1 A 59 59 VAL HA H 59 5.080 4.732 0.348 1
1 429 . 9 1 1 A 60 60 GLU H H 60 8.670 8.693 -0.023 1
1 430 . 9 1 1 A 60 60 GLU HA H 60 4.780 4.707 0.073 1
1 435 . 9 1 1 A 61 61 ARG H H 61 9.080 8.525 0.555 1
1 436 . 9 1 1 A 61 61 ARG HA H 61 4.540 4.650 -0.110 1
1 444 . 9 1 1 A 62 62 LYS H H 62 8.540 8.556 -0.016 1
1 445 . 9 1 1 A 62 62 LYS HA H 62 4.370 4.241 0.129 1
1 454 . 9 1 1 A 63 63 ASN H H 63 8.660 8.896 -0.236 1
1 455 . 9 1 1 A 63 63 ASN HA H 63 4.760 5.009 -0.249 1
1 460 . 9 1 1 A 64 64 SER H H 64 8.380 7.593 0.787 1
1 461 . 9 1 1 A 64 64 SER HA H 64 4.420 4.447 -0.027 1
1 464 . 9 1 1 A 65 65 ALA H H 65 8.380 8.445 -0.065 1
1 465 . 9 1 1 A 65 65 ALA HA H 65 4.310 4.341 -0.031 1
1 469 . 9 1 1 A 66 66 ARG H H 66 8.240 8.452 -0.212 1
1 470 . 9 1 1 A 66 66 ARG HA H 66 4.290 4.139 0.151 1
1 477 . 9 1 1 A 67 67 ALA H H 67 8.290 8.570 -0.280 1
1 478 . 9 1 1 A 67 67 ALA HA H 67 4.290 4.117 0.173 1
1 482 . 9 1 1 A 68 68 ALA H H 68 8.270 7.882 0.388 1
1 483 . 9 1 1 A 68 68 ALA HA H 68 4.290 4.404 -0.114 1
1 487 . 9 1 1 A 69 69 ALA H H 69 8.240 7.697 0.543 1
1 488 . 9 1 1 A 69 69 ALA HA H 69 4.320 4.463 -0.143 1
1 492 . 9 1 1 A 70 70 ASN H H 70 8.390 8.648 -0.258 1
1 493 . 9 1 1 A 70 70 ASN HA H 70 4.750 4.938 -0.188 1
1 496 . 9 1 1 A 71 71 SER H H 71 8.250 8.022 0.228 1
1 497 . 9 1 1 A 71 71 SER HA H 71 4.520 4.394 0.126 1
1 1 . 10 1 1 A 2 2 SER HA H 2 4.600 4.949 -0.349 1
1 4 . 10 1 1 A 3 3 THR H H 3 8.340 8.737 -0.397 1
1 5 . 10 1 1 A 3 3 THR HA H 3 4.380 4.458 -0.078 1
1 10 . 10 1 1 A 4 4 MET H H 4 8.430 8.598 -0.168 1
1 11 . 10 1 1 A 4 4 MET HA H 4 4.460 4.961 -0.501 1
1 16 . 10 1 1 A 5 5 ALA H H 5 8.340 8.748 -0.408 1
1 17 . 10 1 1 A 5 5 ALA HA H 5 4.300 4.313 -0.013 1
1 21 . 10 1 1 A 6 6 GLU H H 6 8.220 7.698 0.522 1
1 22 . 10 1 1 A 6 6 GLU HA H 6 4.300 4.531 -0.231 1
1 27 . 10 1 1 A 7 7 GLU H H 7 8.470 8.937 -0.467 1
1 28 . 10 1 1 A 7 7 GLU HA H 7 4.440 4.851 -0.411 1
1 33 . 10 1 1 A 8 8 VAL H H 8 8.500 8.517 -0.017 1
1 34 . 10 1 1 A 8 8 VAL HA H 8 4.210 4.779 -0.569 1
1 42 . 10 1 1 A 9 9 VAL H H 9 8.360 9.040 -0.680 1
1 43 . 10 1 1 A 9 9 VAL HA H 9 4.430 4.961 -0.531 1
1 51 . 10 1 1 A 10 10 VAL H H 10 8.890 8.854 0.036 1
1 52 . 10 1 1 A 10 10 VAL HA H 10 4.980 5.460 -0.480 1
1 60 . 10 1 1 A 11 11 VAL H H 11 8.540 8.875 -0.335 1
1 61 . 10 1 1 A 11 11 VAL HA H 11 5.000 4.871 0.129 1
1 69 . 10 1 1 A 12 12 ALA H H 12 8.760 8.547 0.213 1
1 70 . 10 1 1 A 12 12 ALA HA H 12 4.580 4.895 -0.315 1
1 74 . 10 1 1 A 13 13 LYS H H 13 9.370 8.913 0.457 1
1 75 . 10 1 1 A 13 13 LYS HA H 13 3.850 4.074 -0.224 1
1 84 . 10 1 1 A 14 14 PHE H H 14 7.140 7.575 -0.435 1
1 85 . 10 1 1 A 14 14 PHE HA H 14 4.810 5.045 -0.235 1
1 93 . 10 1 1 A 15 15 ASP H H 15 8.360 9.113 -0.753 1
1 94 . 10 1 1 A 15 15 ASP HA H 15 4.790 5.823 -1.033 1
1 97 . 10 1 1 A 16 16 TYR H H 16 8.850 8.925 -0.075 1
1 98 . 10 1 1 A 16 16 TYR HA H 16 4.750 5.249 -0.499 1
1 105 . 10 1 1 A 17 17 VAL H H 17 7.190 8.294 -1.104 1
1 106 . 10 1 1 A 17 17 VAL HA H 17 4.150 4.217 -0.067 1
1 114 . 10 1 1 A 18 18 ALA H H 18 8.640 8.217 0.423 1
1 115 . 10 1 1 A 18 18 ALA HA H 18 4.230 4.699 -0.469 1
1 119 . 10 1 1 A 19 19 GLN H H 19 9.090 8.068 1.022 1
1 120 . 10 1 1 A 19 19 GLN HA H 19 4.310 3.977 0.333 1
1 127 . 10 1 1 A 20 20 GLN H H 20 7.210 8.123 -0.913 1
1 128 . 10 1 1 A 20 20 GLN HA H 20 4.590 4.338 0.252 1
1 135 . 10 1 1 A 21 21 GLU H H 21 8.980 8.896 0.084 1
1 136 . 10 1 1 A 21 21 GLU HA H 21 4.100 4.079 0.021 1
1 141 . 10 1 1 A 22 22 GLN H H 22 8.460 8.115 0.345 1
1 142 . 10 1 1 A 22 22 GLN HA H 22 4.550 4.069 0.481 1
1 149 . 10 1 1 A 23 23 GLU H H 23 7.730 7.829 -0.099 1
1 150 . 10 1 1 A 23 23 GLU HA H 23 5.330 4.536 0.794 1
1 155 . 10 1 1 A 24 24 LEU H H 24 7.910 8.661 -0.751 1
1 156 . 10 1 1 A 24 24 LEU HA H 24 4.680 5.166 -0.486 1
1 166 . 10 1 1 A 25 25 ASP H H 25 7.640 8.782 -1.142 1
1 167 . 10 1 1 A 25 25 ASP HA H 25 5.150 5.308 -0.158 1
1 170 . 10 1 1 A 26 26 ILE H H 26 8.930 8.747 0.183 1
1 171 . 10 1 1 A 26 26 ILE HA H 26 5.120 5.288 -0.168 1
1 181 . 10 1 1 A 27 27 LYS H H 27 8.940 8.761 0.179 1
1 182 . 10 1 1 A 27 27 LYS HA H 27 5.090 4.812 0.278 1
1 191 . 10 1 1 A 28 28 LYS H H 28 8.990 8.630 0.360 1
1 192 . 10 1 1 A 28 28 LYS HA H 28 3.110 3.973 -0.863 1
1 201 . 10 1 1 A 29 29 ASN H H 29 8.690 9.228 -0.538 1
1 202 . 10 1 1 A 29 29 ASN HA H 29 4.170 4.213 -0.043 1
1 207 . 10 1 1 A 30 30 GLU H H 30 8.650 7.857 0.793 1
1 208 . 10 1 1 A 30 30 GLU HA H 30 4.170 4.888 -0.718 1
1 213 . 10 1 1 A 31 31 ARG H H 31 8.500 8.712 -0.212 1
1 214 . 10 1 1 A 31 31 ARG HA H 31 4.580 4.552 0.028 1
1 222 . 10 1 1 A 32 32 LEU H H 32 8.860 9.140 -0.280 1
1 223 . 10 1 1 A 32 32 LEU HA H 32 4.840 4.504 0.336 1
1 233 . 10 1 1 A 33 33 TRP H H 33 9.160 8.547 0.613 1
1 234 . 10 1 1 A 33 33 TRP HA H 33 5.100 5.247 -0.147 1
1 243 . 10 1 1 A 34 34 LEU H H 34 9.130 8.825 0.305 1
1 244 . 10 1 1 A 34 34 LEU HA H 34 4.330 4.410 -0.080 1
1 254 . 10 1 1 A 35 35 LEU H H 35 9.020 8.920 0.100 1
1 255 . 10 1 1 A 35 35 LEU HA H 35 4.610 4.347 0.263 1
1 265 . 10 1 1 A 36 36 ASP H H 36 7.460 7.531 -0.071 1
1 266 . 10 1 1 A 36 36 ASP HA H 36 4.760 4.919 -0.159 1
1 269 . 10 1 1 A 37 37 ASP H H 37 8.330 8.376 -0.046 1
1 270 . 10 1 1 A 37 37 ASP HA H 37 3.940 4.672 -0.732 1
1 273 . 10 1 1 A 38 38 SER H H 38 8.460 8.238 0.222 1
1 274 . 10 1 1 A 38 38 SER HA H 38 4.210 4.585 -0.375 1
1 277 . 10 1 1 A 39 39 LYS H H 39 8.450 7.684 0.766 1
1 278 . 10 1 1 A 39 39 LYS HA H 39 4.900 4.468 0.432 1
1 287 . 10 1 1 A 40 40 SER H H 40 8.350 8.947 -0.597 1
1 288 . 10 1 1 A 40 40 SER HA H 40 4.310 4.178 0.132 1
1 291 . 10 1 1 A 41 41 TRP H H 41 7.440 8.205 -0.765 1
1 292 . 10 1 1 A 41 41 TRP HA H 41 4.850 4.813 0.037 1
1 301 . 10 1 1 A 42 42 TRP H H 42 9.360 8.888 0.472 1
1 302 . 10 1 1 A 42 42 TRP HA H 42 5.440 4.993 0.447 1
1 311 . 10 1 1 A 43 43 ARG H H 43 8.810 9.154 -0.344 1
1 312 . 10 1 1 A 43 43 ARG HA H 43 4.540 4.467 0.073 1
1 320 . 10 1 1 A 44 44 VAL H H 44 9.210 8.755 0.455 1
1 321 . 10 1 1 A 44 44 VAL HA H 44 5.510 5.018 0.492 1
1 329 . 10 1 1 A 45 45 ARG H H 45 9.260 8.905 0.355 1
1 330 . 10 1 1 A 45 45 ARG HA H 45 5.510 5.228 0.282 1
1 338 . 10 1 1 A 46 46 ASN H H 46 8.820 9.112 -0.292 1
1 339 . 10 1 1 A 46 46 ASN HA H 46 5.470 5.471 -0.001 1
1 344 . 10 1 1 A 47 47 SER H H 47 9.730 9.166 0.564 1
1 345 . 10 1 1 A 47 47 SER HA H 47 4.320 4.334 -0.014 1
1 348 . 10 1 1 A 48 48 MET H H 48 7.650 8.016 -0.366 1
1 349 . 10 1 1 A 48 48 MET HA H 48 4.720 4.575 0.145 1
1 357 . 10 1 1 A 49 49 ASN H H 49 8.430 8.182 0.248 1
1 358 . 10 1 1 A 49 49 ASN HA H 49 4.200 4.461 -0.261 1
1 363 . 10 1 1 A 50 50 LYS H H 50 8.090 7.725 0.365 1
1 364 . 10 1 1 A 50 50 LYS HA H 50 4.560 4.286 0.274 1
1 373 . 10 1 1 A 51 51 THR H H 51 8.310 8.598 -0.288 1
1 374 . 10 1 1 A 51 51 THR HA H 51 5.730 5.282 0.448 1
1 379 . 10 1 1 A 52 52 GLY H H 52 8.630 8.317 0.313 1
1 380 . 10 1 1 A 52 52 GLY HA2 H 52 4.090 4.324 -0.234 1
1 381 . 10 1 1 A 52 52 GLY HA3 H 52 3.920 4.365 -0.445 1
1 382 . 10 1 1 A 53 53 PHE H H 53 9.020 8.712 0.308 1
1 383 . 10 1 1 A 53 53 PHE HA H 53 5.860 5.393 0.467 1
1 391 . 10 1 1 A 54 54 VAL H H 54 9.150 9.131 0.019 1
1 399 . 10 1 1 A 55 55 PRO HA H 55 3.230 4.336 -1.106 1
1 406 . 10 1 1 A 56 56 SER H H 56 7.790 8.093 -0.303 1
1 407 . 10 1 1 A 57 57 ASN HA H 57 4.480 4.665 -0.185 1
1 412 . 10 1 1 A 58 58 TYR H H 58 7.950 8.147 -0.197 1
1 413 . 10 1 1 A 58 58 TYR HA H 58 4.460 4.659 -0.199 1
1 420 . 10 1 1 A 59 59 VAL H H 59 7.300 7.552 -0.252 1
1 421 . 10 1 1 A 59 59 VAL HA H 59 5.080 5.158 -0.078 1
1 429 . 10 1 1 A 60 60 GLU H H 60 8.670 8.339 0.331 1
1 430 . 10 1 1 A 60 60 GLU HA H 60 4.780 4.875 -0.095 1
1 435 . 10 1 1 A 61 61 ARG H H 61 9.080 8.659 0.421 1
1 436 . 10 1 1 A 61 61 ARG HA H 61 4.540 4.525 0.015 1
1 444 . 10 1 1 A 62 62 LYS H H 62 8.540 9.309 -0.769 1
1 445 . 10 1 1 A 62 62 LYS HA H 62 4.370 3.812 0.558 1
1 454 . 10 1 1 A 63 63 ASN H H 63 8.660 7.976 0.684 1
1 455 . 10 1 1 A 63 63 ASN HA H 63 4.760 4.943 -0.183 1
1 460 . 10 1 1 A 64 64 SER H H 64 8.380 8.382 -0.002 1
1 461 . 10 1 1 A 64 64 SER HA H 64 4.420 4.516 -0.096 1
1 464 . 10 1 1 A 65 65 ALA H H 65 8.380 7.656 0.724 1
1 465 . 10 1 1 A 65 65 ALA HA H 65 4.310 4.358 -0.048 1
1 469 . 10 1 1 A 66 66 ARG H H 66 8.240 8.856 -0.616 1
1 470 . 10 1 1 A 66 66 ARG HA H 66 4.290 4.043 0.247 1
1 477 . 10 1 1 A 67 67 ALA H H 67 8.290 8.016 0.274 1
1 478 . 10 1 1 A 67 67 ALA HA H 67 4.290 4.124 0.166 1
1 482 . 10 1 1 A 68 68 ALA H H 68 8.270 8.131 0.139 1
1 483 . 10 1 1 A 68 68 ALA HA H 68 4.290 4.052 0.238 1
1 487 . 10 1 1 A 69 69 ALA H H 69 8.240 7.601 0.639 1
1 488 . 10 1 1 A 69 69 ALA HA H 69 4.320 4.138 0.182 1
1 492 . 10 1 1 A 70 70 ASN H H 70 8.390 8.554 -0.164 1
1 493 . 10 1 1 A 70 70 ASN HA H 70 4.750 5.429 -0.679 1
1 496 . 10 1 1 A 71 71 SER H H 71 8.250 8.655 -0.405 1
1 497 . 10 1 1 A 71 71 SER HA H 71 4.520 4.266 0.254 1
1 1 . 11 1 1 A 2 2 SER HA H 2 4.600 4.531 0.069 1
1 4 . 11 1 1 A 3 3 THR H H 3 8.340 7.280 1.060 1
1 5 . 11 1 1 A 3 3 THR HA H 3 4.380 4.158 0.222 1
1 10 . 11 1 1 A 4 4 MET H H 4 8.430 8.518 -0.088 1
1 11 . 11 1 1 A 4 4 MET HA H 4 4.460 4.383 0.077 1
1 16 . 11 1 1 A 5 5 ALA H H 5 8.340 8.653 -0.313 1
1 17 . 11 1 1 A 5 5 ALA HA H 5 4.300 4.012 0.288 1
1 21 . 11 1 1 A 6 6 GLU H H 6 8.220 8.163 0.057 1
1 22 . 11 1 1 A 6 6 GLU HA H 6 4.300 3.968 0.332 1
1 27 . 11 1 1 A 7 7 GLU H H 7 8.470 8.076 0.394 1
1 28 . 11 1 1 A 7 7 GLU HA H 7 4.440 4.605 -0.165 1
1 33 . 11 1 1 A 8 8 VAL H H 8 8.500 8.667 -0.167 1
1 34 . 11 1 1 A 8 8 VAL HA H 8 4.210 4.866 -0.656 1
1 42 . 11 1 1 A 9 9 VAL H H 9 8.360 8.851 -0.491 1
1 43 . 11 1 1 A 9 9 VAL HA H 9 4.430 5.076 -0.646 1
1 51 . 11 1 1 A 10 10 VAL H H 10 8.890 9.232 -0.342 1
1 52 . 11 1 1 A 10 10 VAL HA H 10 4.980 5.308 -0.328 1
1 60 . 11 1 1 A 11 11 VAL H H 11 8.540 8.815 -0.275 1
1 61 . 11 1 1 A 11 11 VAL HA H 11 5.000 4.827 0.173 1
1 69 . 11 1 1 A 12 12 ALA H H 12 8.760 8.786 -0.026 1
1 70 . 11 1 1 A 12 12 ALA HA H 12 4.580 4.665 -0.085 1
1 74 . 11 1 1 A 13 13 LYS H H 13 9.370 9.332 0.038 1
1 75 . 11 1 1 A 13 13 LYS HA H 13 3.850 4.205 -0.355 1
1 84 . 11 1 1 A 14 14 PHE H H 14 7.140 7.909 -0.769 1
1 85 . 11 1 1 A 14 14 PHE HA H 14 4.810 5.124 -0.314 1
1 93 . 11 1 1 A 15 15 ASP H H 15 8.360 8.878 -0.518 1
1 94 . 11 1 1 A 15 15 ASP HA H 15 4.790 5.420 -0.630 1
1 97 . 11 1 1 A 16 16 TYR H H 16 8.850 8.989 -0.139 1
1 98 . 11 1 1 A 16 16 TYR HA H 16 4.750 5.368 -0.618 1
1 105 . 11 1 1 A 17 17 VAL H H 17 7.190 8.385 -1.195 1
1 106 . 11 1 1 A 17 17 VAL HA H 17 4.150 4.310 -0.160 1
1 114 . 11 1 1 A 18 18 ALA H H 18 8.640 8.440 0.200 1
1 115 . 11 1 1 A 18 18 ALA HA H 18 4.230 4.399 -0.169 1
1 119 . 11 1 1 A 19 19 GLN H H 19 9.090 8.319 0.771 1
1 120 . 11 1 1 A 19 19 GLN HA H 19 4.310 3.946 0.364 1
1 127 . 11 1 1 A 20 20 GLN H H 20 7.210 7.938 -0.728 1
1 128 . 11 1 1 A 20 20 GLN HA H 20 4.590 4.359 0.231 1
1 135 . 11 1 1 A 21 21 GLU H H 21 8.980 8.883 0.097 1
1 136 . 11 1 1 A 21 21 GLU HA H 21 4.100 4.092 0.008 1
1 141 . 11 1 1 A 22 22 GLN H H 22 8.460 8.011 0.449 1
1 142 . 11 1 1 A 22 22 GLN HA H 22 4.550 4.013 0.537 1
1 149 . 11 1 1 A 23 23 GLU H H 23 7.730 8.022 -0.292 1
1 150 . 11 1 1 A 23 23 GLU HA H 23 5.330 4.555 0.775 1
1 155 . 11 1 1 A 24 24 LEU H H 24 7.910 8.752 -0.842 1
1 156 . 11 1 1 A 24 24 LEU HA H 24 4.680 5.226 -0.546 1
1 166 . 11 1 1 A 25 25 ASP H H 25 7.640 8.878 -1.238 1
1 167 . 11 1 1 A 25 25 ASP HA H 25 5.150 5.203 -0.053 1
1 170 . 11 1 1 A 26 26 ILE H H 26 8.930 8.784 0.146 1
1 171 . 11 1 1 A 26 26 ILE HA H 26 5.120 5.266 -0.146 1
1 181 . 11 1 1 A 27 27 LYS H H 27 8.940 8.757 0.183 1
1 182 . 11 1 1 A 27 27 LYS HA H 27 5.090 4.809 0.281 1
1 191 . 11 1 1 A 28 28 LYS H H 28 8.990 8.606 0.384 1
1 192 . 11 1 1 A 28 28 LYS HA H 28 3.110 3.920 -0.810 1
1 201 . 11 1 1 A 29 29 ASN H H 29 8.690 8.751 -0.061 1
1 202 . 11 1 1 A 29 29 ASN HA H 29 4.170 4.164 0.006 1
1 207 . 11 1 1 A 30 30 GLU H H 30 8.650 7.561 1.089 1
1 208 . 11 1 1 A 30 30 GLU HA H 30 4.170 4.839 -0.669 1
1 213 . 11 1 1 A 31 31 ARG H H 31 8.500 8.589 -0.089 1
1 214 . 11 1 1 A 31 31 ARG HA H 31 4.580 4.306 0.274 1
1 222 . 11 1 1 A 32 32 LEU H H 32 8.860 8.761 0.099 1
1 223 . 11 1 1 A 32 32 LEU HA H 32 4.840 4.551 0.289 1
1 233 . 11 1 1 A 33 33 TRP H H 33 9.160 8.744 0.416 1
1 234 . 11 1 1 A 33 33 TRP HA H 33 5.100 5.367 -0.267 1
1 243 . 11 1 1 A 34 34 LEU H H 34 9.130 9.057 0.073 1
1 244 . 11 1 1 A 34 34 LEU HA H 34 4.330 4.474 -0.144 1
1 254 . 11 1 1 A 35 35 LEU H H 35 9.020 9.020 0.000 1
1 255 . 11 1 1 A 35 35 LEU HA H 35 4.610 4.360 0.250 1
1 265 . 11 1 1 A 36 36 ASP H H 36 7.460 7.960 -0.500 1
1 266 . 11 1 1 A 36 36 ASP HA H 36 4.760 4.887 -0.127 1
1 269 . 11 1 1 A 37 37 ASP H H 37 8.330 8.420 -0.090 1
1 270 . 11 1 1 A 37 37 ASP HA H 37 3.940 4.650 -0.710 1
1 273 . 11 1 1 A 38 38 SER H H 38 8.460 8.150 0.310 1
1 274 . 11 1 1 A 38 38 SER HA H 38 4.210 4.605 -0.395 1
1 277 . 11 1 1 A 39 39 LYS H H 39 8.450 7.638 0.812 1
1 278 . 11 1 1 A 39 39 LYS HA H 39 4.900 4.456 0.444 1
1 287 . 11 1 1 A 40 40 SER H H 40 8.350 8.749 -0.399 1
1 288 . 11 1 1 A 40 40 SER HA H 40 4.310 4.188 0.122 1
1 291 . 11 1 1 A 41 41 TRP H H 41 7.440 8.173 -0.733 1
1 292 . 11 1 1 A 41 41 TRP HA H 41 4.850 5.030 -0.180 1
1 301 . 11 1 1 A 42 42 TRP H H 42 9.360 9.014 0.346 1
1 302 . 11 1 1 A 42 42 TRP HA H 42 5.440 5.153 0.287 1
1 311 . 11 1 1 A 43 43 ARG H H 43 8.810 9.305 -0.495 1
1 312 . 11 1 1 A 43 43 ARG HA H 43 4.540 4.495 0.045 1
1 320 . 11 1 1 A 44 44 VAL H H 44 9.210 8.691 0.519 1
1 321 . 11 1 1 A 44 44 VAL HA H 44 5.510 5.227 0.283 1
1 329 . 11 1 1 A 45 45 ARG H H 45 9.260 9.190 0.070 1
1 330 . 11 1 1 A 45 45 ARG HA H 45 5.510 5.336 0.174 1
1 338 . 11 1 1 A 46 46 ASN H H 46 8.820 9.038 -0.218 1
1 339 . 11 1 1 A 46 46 ASN HA H 46 5.470 5.352 0.118 1
1 344 . 11 1 1 A 47 47 SER H H 47 9.730 9.049 0.681 1
1 345 . 11 1 1 A 47 47 SER HA H 47 4.320 4.468 -0.148 1
1 348 . 11 1 1 A 48 48 MET H H 48 7.650 8.036 -0.386 1
1 349 . 11 1 1 A 48 48 MET HA H 48 4.720 4.573 0.147 1
1 357 . 11 1 1 A 49 49 ASN H H 49 8.430 8.297 0.133 1
1 358 . 11 1 1 A 49 49 ASN HA H 49 4.200 4.516 -0.316 1
1 363 . 11 1 1 A 50 50 LYS H H 50 8.090 7.812 0.278 1
1 364 . 11 1 1 A 50 50 LYS HA H 50 4.560 4.286 0.274 1
1 373 . 11 1 1 A 51 51 THR H H 51 8.310 8.708 -0.398 1
1 374 . 11 1 1 A 51 51 THR HA H 51 5.730 5.232 0.498 1
1 379 . 11 1 1 A 52 52 GLY H H 52 8.630 8.080 0.550 1
1 380 . 11 1 1 A 52 52 GLY HA2 H 52 4.090 4.197 -0.107 1
1 381 . 11 1 1 A 52 52 GLY HA3 H 52 3.920 4.254 -0.334 1
1 382 . 11 1 1 A 53 53 PHE H H 53 9.020 8.847 0.173 1
1 383 . 11 1 1 A 53 53 PHE HA H 53 5.860 5.057 0.803 1
1 391 . 11 1 1 A 54 54 VAL H H 54 9.150 9.104 0.046 1
1 399 . 11 1 1 A 55 55 PRO HA H 55 3.230 4.372 -1.142 1
1 406 . 11 1 1 A 56 56 SER H H 56 7.790 8.429 -0.639 1
1 407 . 11 1 1 A 57 57 ASN HA H 57 4.480 4.389 0.091 1
1 412 . 11 1 1 A 58 58 TYR H H 58 7.950 8.132 -0.182 1
1 413 . 11 1 1 A 58 58 TYR HA H 58 4.460 4.692 -0.232 1
1 420 . 11 1 1 A 59 59 VAL H H 59 7.300 7.472 -0.172 1
1 421 . 11 1 1 A 59 59 VAL HA H 59 5.080 4.863 0.217 1
1 429 . 11 1 1 A 60 60 GLU H H 60 8.670 8.807 -0.137 1
1 430 . 11 1 1 A 60 60 GLU HA H 60 4.780 4.753 0.027 1
1 435 . 11 1 1 A 61 61 ARG H H 61 9.080 8.837 0.243 1
1 436 . 11 1 1 A 61 61 ARG HA H 61 4.540 4.362 0.178 1
1 444 . 11 1 1 A 62 62 LYS H H 62 8.540 9.391 -0.851 1
1 445 . 11 1 1 A 62 62 LYS HA H 62 4.370 3.808 0.562 1
1 454 . 11 1 1 A 63 63 ASN H H 63 8.660 8.123 0.537 1
1 455 . 11 1 1 A 63 63 ASN HA H 63 4.760 4.359 0.401 1
1 460 . 11 1 1 A 64 64 SER H H 64 8.380 7.738 0.642 1
1 461 . 11 1 1 A 64 64 SER HA H 64 4.420 4.529 -0.109 1
1 464 . 11 1 1 A 65 65 ALA H H 65 8.380 8.322 0.058 1
1 465 . 11 1 1 A 65 65 ALA HA H 65 4.310 4.392 -0.082 1
1 469 . 11 1 1 A 66 66 ARG H H 66 8.240 8.171 0.069 1
1 470 . 11 1 1 A 66 66 ARG HA H 66 4.290 4.856 -0.566 1
1 477 . 11 1 1 A 67 67 ALA H H 67 8.290 9.067 -0.777 1
1 478 . 11 1 1 A 67 67 ALA HA H 67 4.290 4.089 0.201 1
1 482 . 11 1 1 A 68 68 ALA H H 68 8.270 7.687 0.583 1
1 483 . 11 1 1 A 68 68 ALA HA H 68 4.290 4.443 -0.153 1
1 487 . 11 1 1 A 69 69 ALA H H 69 8.240 7.316 0.924 1
1 488 . 11 1 1 A 69 69 ALA HA H 69 4.320 4.284 0.036 1
1 492 . 11 1 1 A 70 70 ASN H H 70 8.390 8.701 -0.311 1
1 493 . 11 1 1 A 70 70 ASN HA H 70 4.750 5.230 -0.480 1
1 496 . 11 1 1 A 71 71 SER H H 71 8.250 9.257 -1.007 1
1 497 . 11 1 1 A 71 71 SER HA H 71 4.520 4.190 0.330 1
1 1 . 12 1 1 A 2 2 SER HA H 2 4.600 4.633 -0.033 1
1 4 . 12 1 1 A 3 3 THR H H 3 8.340 7.919 0.421 1
1 5 . 12 1 1 A 3 3 THR HA H 3 4.380 4.390 -0.010 1
1 10 . 12 1 1 A 4 4 MET H H 4 8.430 8.772 -0.342 1
1 11 . 12 1 1 A 4 4 MET HA H 4 4.460 4.796 -0.336 1
1 16 . 12 1 1 A 5 5 ALA H H 5 8.340 8.574 -0.234 1
1 17 . 12 1 1 A 5 5 ALA HA H 5 4.300 4.316 -0.016 1
1 21 . 12 1 1 A 6 6 GLU H H 6 8.220 8.189 0.031 1
1 22 . 12 1 1 A 6 6 GLU HA H 6 4.300 4.279 0.021 1
1 27 . 12 1 1 A 7 7 GLU H H 7 8.470 8.951 -0.481 1
1 28 . 12 1 1 A 7 7 GLU HA H 7 4.440 5.009 -0.569 1
1 33 . 12 1 1 A 8 8 VAL H H 8 8.500 8.515 -0.015 1
1 34 . 12 1 1 A 8 8 VAL HA H 8 4.210 4.941 -0.731 1
1 42 . 12 1 1 A 9 9 VAL H H 9 8.360 8.962 -0.602 1
1 43 . 12 1 1 A 9 9 VAL HA H 9 4.430 4.964 -0.534 1
1 51 . 12 1 1 A 10 10 VAL H H 10 8.890 8.985 -0.095 1
1 52 . 12 1 1 A 10 10 VAL HA H 10 4.980 5.374 -0.394 1
1 60 . 12 1 1 A 11 11 VAL H H 11 8.540 8.768 -0.228 1
1 61 . 12 1 1 A 11 11 VAL HA H 11 5.000 5.069 -0.069 1
1 69 . 12 1 1 A 12 12 ALA H H 12 8.760 9.013 -0.253 1
1 70 . 12 1 1 A 12 12 ALA HA H 12 4.580 4.675 -0.095 1
1 74 . 12 1 1 A 13 13 LYS H H 13 9.370 8.807 0.563 1
1 75 . 12 1 1 A 13 13 LYS HA H 13 3.850 4.245 -0.395 1
1 84 . 12 1 1 A 14 14 PHE H H 14 7.140 7.580 -0.440 1
1 85 . 12 1 1 A 14 14 PHE HA H 14 4.810 5.021 -0.211 1
1 93 . 12 1 1 A 15 15 ASP H H 15 8.360 9.195 -0.835 1
1 94 . 12 1 1 A 15 15 ASP HA H 15 4.790 5.832 -1.042 1
1 97 . 12 1 1 A 16 16 TYR H H 16 8.850 9.010 -0.160 1
1 98 . 12 1 1 A 16 16 TYR HA H 16 4.750 5.206 -0.456 1
1 105 . 12 1 1 A 17 17 VAL H H 17 7.190 8.323 -1.133 1
1 106 . 12 1 1 A 17 17 VAL HA H 17 4.150 4.251 -0.101 1
1 114 . 12 1 1 A 18 18 ALA H H 18 8.640 8.181 0.459 1
1 115 . 12 1 1 A 18 18 ALA HA H 18 4.230 4.715 -0.485 1
1 119 . 12 1 1 A 19 19 GLN H H 19 9.090 8.056 1.034 1
1 120 . 12 1 1 A 19 19 GLN HA H 19 4.310 3.954 0.356 1
1 127 . 12 1 1 A 20 20 GLN H H 20 7.210 7.974 -0.764 1
1 128 . 12 1 1 A 20 20 GLN HA H 20 4.590 4.588 0.002 1
1 135 . 12 1 1 A 21 21 GLU H H 21 8.980 8.931 0.049 1
1 136 . 12 1 1 A 21 21 GLU HA H 21 4.100 4.075 0.025 1
1 141 . 12 1 1 A 22 22 GLN H H 22 8.460 8.036 0.424 1
1 142 . 12 1 1 A 22 22 GLN HA H 22 4.550 4.091 0.459 1
1 149 . 12 1 1 A 23 23 GLU H H 23 7.730 7.965 -0.235 1
1 150 . 12 1 1 A 23 23 GLU HA H 23 5.330 4.598 0.732 1
1 155 . 12 1 1 A 24 24 LEU H H 24 7.910 8.769 -0.859 1
1 156 . 12 1 1 A 24 24 LEU HA H 24 4.680 5.201 -0.521 1
1 166 . 12 1 1 A 25 25 ASP H H 25 7.640 8.865 -1.225 1
1 167 . 12 1 1 A 25 25 ASP HA H 25 5.150 4.867 0.283 1
1 170 . 12 1 1 A 26 26 ILE H H 26 8.930 8.862 0.068 1
1 171 . 12 1 1 A 26 26 ILE HA H 26 5.120 5.280 -0.160 1
1 181 . 12 1 1 A 27 27 LYS H H 27 8.940 8.750 0.190 1
1 182 . 12 1 1 A 27 27 LYS HA H 27 5.090 4.817 0.273 1
1 191 . 12 1 1 A 28 28 LYS H H 28 8.990 8.620 0.370 1
1 192 . 12 1 1 A 28 28 LYS HA H 28 3.110 3.942 -0.832 1
1 201 . 12 1 1 A 29 29 ASN H H 29 8.690 8.786 -0.096 1
1 202 . 12 1 1 A 29 29 ASN HA H 29 4.170 4.195 -0.025 1
1 207 . 12 1 1 A 30 30 GLU H H 30 8.650 7.520 1.130 1
1 208 . 12 1 1 A 30 30 GLU HA H 30 4.170 4.823 -0.653 1
1 213 . 12 1 1 A 31 31 ARG H H 31 8.500 8.604 -0.104 1
1 214 . 12 1 1 A 31 31 ARG HA H 31 4.580 4.609 -0.029 1
1 222 . 12 1 1 A 32 32 LEU H H 32 8.860 8.609 0.251 1
1 223 . 12 1 1 A 32 32 LEU HA H 32 4.840 4.525 0.315 1
1 233 . 12 1 1 A 33 33 TRP H H 33 9.160 8.600 0.560 1
1 234 . 12 1 1 A 33 33 TRP HA H 33 5.100 5.182 -0.082 1
1 243 . 12 1 1 A 34 34 LEU H H 34 9.130 8.648 0.482 1
1 244 . 12 1 1 A 34 34 LEU HA H 34 4.330 4.399 -0.069 1
1 254 . 12 1 1 A 35 35 LEU H H 35 9.020 8.962 0.058 1
1 255 . 12 1 1 A 35 35 LEU HA H 35 4.610 4.491 0.119 1
1 265 . 12 1 1 A 36 36 ASP H H 36 7.460 7.620 -0.160 1
1 266 . 12 1 1 A 36 36 ASP HA H 36 4.760 4.943 -0.183 1
1 269 . 12 1 1 A 37 37 ASP H H 37 8.330 8.459 -0.129 1
1 270 . 12 1 1 A 37 37 ASP HA H 37 3.940 4.285 -0.345 1
1 273 . 12 1 1 A 38 38 SER H H 38 8.460 8.307 0.153 1
1 274 . 12 1 1 A 38 38 SER HA H 38 4.210 4.622 -0.412 1
1 277 . 12 1 1 A 39 39 LYS H H 39 8.450 7.609 0.841 1
1 278 . 12 1 1 A 39 39 LYS HA H 39 4.900 4.459 0.441 1
1 287 . 12 1 1 A 40 40 SER H H 40 8.350 8.929 -0.579 1
1 288 . 12 1 1 A 40 40 SER HA H 40 4.310 4.229 0.081 1
1 291 . 12 1 1 A 41 41 TRP H H 41 7.440 8.197 -0.757 1
1 292 . 12 1 1 A 41 41 TRP HA H 41 4.850 4.870 -0.020 1
1 301 . 12 1 1 A 42 42 TRP H H 42 9.360 9.077 0.283 1
1 302 . 12 1 1 A 42 42 TRP HA H 42 5.440 5.010 0.430 1
1 311 . 12 1 1 A 43 43 ARG H H 43 8.810 8.997 -0.187 1
1 312 . 12 1 1 A 43 43 ARG HA H 43 4.540 4.487 0.053 1
1 320 . 12 1 1 A 44 44 VAL H H 44 9.210 8.520 0.690 1
1 321 . 12 1 1 A 44 44 VAL HA H 44 5.510 5.195 0.315 1
1 329 . 12 1 1 A 45 45 ARG H H 45 9.260 9.394 -0.134 1
1 330 . 12 1 1 A 45 45 ARG HA H 45 5.510 5.281 0.229 1
1 338 . 12 1 1 A 46 46 ASN H H 46 8.820 9.008 -0.188 1
1 339 . 12 1 1 A 46 46 ASN HA H 46 5.470 5.418 0.052 1
1 344 . 12 1 1 A 47 47 SER H H 47 9.730 9.090 0.640 1
1 345 . 12 1 1 A 47 47 SER HA H 47 4.320 4.438 -0.118 1
1 348 . 12 1 1 A 48 48 MET H H 48 7.650 8.029 -0.379 1
1 349 . 12 1 1 A 48 48 MET HA H 48 4.720 4.583 0.137 1
1 357 . 12 1 1 A 49 49 ASN H H 49 8.430 8.407 0.023 1
1 358 . 12 1 1 A 49 49 ASN HA H 49 4.200 4.448 -0.248 1
1 363 . 12 1 1 A 50 50 LYS H H 50 8.090 7.883 0.207 1
1 364 . 12 1 1 A 50 50 LYS HA H 50 4.560 4.311 0.249 1
1 373 . 12 1 1 A 51 51 THR H H 51 8.310 8.720 -0.410 1
1 374 . 12 1 1 A 51 51 THR HA H 51 5.730 5.222 0.508 1
1 379 . 12 1 1 A 52 52 GLY H H 52 8.630 8.581 0.049 1
1 380 . 12 1 1 A 52 52 GLY HA2 H 52 4.090 4.348 -0.258 1
1 381 . 12 1 1 A 52 52 GLY HA3 H 52 3.920 4.406 -0.486 1
1 382 . 12 1 1 A 53 53 PHE H H 53 9.020 8.450 0.570 1
1 383 . 12 1 1 A 53 53 PHE HA H 53 5.860 4.997 0.863 1
1 391 . 12 1 1 A 54 54 VAL H H 54 9.150 9.132 0.018 1
1 399 . 12 1 1 A 55 55 PRO HA H 55 3.230 4.312 -1.082 1
1 406 . 12 1 1 A 56 56 SER H H 56 7.790 8.267 -0.477 1
1 407 . 12 1 1 A 57 57 ASN HA H 57 4.480 4.530 -0.050 1
1 412 . 12 1 1 A 58 58 TYR H H 58 7.950 7.632 0.318 1
1 413 . 12 1 1 A 58 58 TYR HA H 58 4.460 4.705 -0.245 1
1 420 . 12 1 1 A 59 59 VAL H H 59 7.300 7.416 -0.116 1
1 421 . 12 1 1 A 59 59 VAL HA H 59 5.080 4.894 0.186 1
1 429 . 12 1 1 A 60 60 GLU H H 60 8.670 8.707 -0.037 1
1 430 . 12 1 1 A 60 60 GLU HA H 60 4.780 4.728 0.052 1
1 435 . 12 1 1 A 61 61 ARG H H 61 9.080 8.805 0.275 1
1 436 . 12 1 1 A 61 61 ARG HA H 61 4.540 4.603 -0.063 1
1 444 . 12 1 1 A 62 62 LYS H H 62 8.540 9.484 -0.944 1
1 445 . 12 1 1 A 62 62 LYS HA H 62 4.370 3.819 0.551 1
1 454 . 12 1 1 A 63 63 ASN H H 63 8.660 8.103 0.557 1
1 455 . 12 1 1 A 63 63 ASN HA H 63 4.760 4.832 -0.072 1
1 460 . 12 1 1 A 64 64 SER H H 64 8.380 7.580 0.800 1
1 461 . 12 1 1 A 64 64 SER HA H 64 4.420 4.361 0.059 1
1 464 . 12 1 1 A 65 65 ALA H H 65 8.380 8.980 -0.600 1
1 465 . 12 1 1 A 65 65 ALA HA H 65 4.310 5.026 -0.716 1
1 469 . 12 1 1 A 66 66 ARG H H 66 8.240 8.979 -0.739 1
1 470 . 12 1 1 A 66 66 ARG HA H 66 4.290 4.455 -0.165 1
1 477 . 12 1 1 A 67 67 ALA H H 67 8.290 8.989 -0.699 1
1 478 . 12 1 1 A 67 67 ALA HA H 67 4.290 4.047 0.243 1
1 482 . 12 1 1 A 68 68 ALA H H 68 8.270 8.041 0.229 1
1 483 . 12 1 1 A 68 68 ALA HA H 68 4.290 4.064 0.226 1
1 487 . 12 1 1 A 69 69 ALA H H 69 8.240 7.564 0.676 1
1 488 . 12 1 1 A 69 69 ALA HA H 69 4.320 4.143 0.177 1
1 492 . 12 1 1 A 70 70 ASN H H 70 8.390 8.931 -0.541 1
1 493 . 12 1 1 A 70 70 ASN HA H 70 4.750 5.250 -0.500 1
1 496 . 12 1 1 A 71 71 SER H H 71 8.250 8.720 -0.470 1
1 497 . 12 1 1 A 71 71 SER HA H 71 4.520 5.072 -0.552 1
1 1 . 13 1 1 A 2 2 SER HA H 2 4.600 4.969 -0.369 1
1 4 . 13 1 1 A 3 3 THR H H 3 8.340 8.747 -0.407 1
1 5 . 13 1 1 A 3 3 THR HA H 3 4.380 4.315 0.065 1
1 10 . 13 1 1 A 4 4 MET H H 4 8.430 8.700 -0.270 1
1 11 . 13 1 1 A 4 4 MET HA H 4 4.460 4.216 0.244 1
1 16 . 13 1 1 A 5 5 ALA H H 5 8.340 8.444 -0.104 1
1 17 . 13 1 1 A 5 5 ALA HA H 5 4.300 4.420 -0.120 1
1 21 . 13 1 1 A 6 6 GLU H H 6 8.220 8.315 -0.095 1
1 22 . 13 1 1 A 6 6 GLU HA H 6 4.300 4.646 -0.346 1
1 27 . 13 1 1 A 7 7 GLU H H 7 8.470 7.783 0.687 1
1 28 . 13 1 1 A 7 7 GLU HA H 7 4.440 4.923 -0.483 1
1 33 . 13 1 1 A 8 8 VAL H H 8 8.500 8.416 0.084 1
1 34 . 13 1 1 A 8 8 VAL HA H 8 4.210 4.883 -0.673 1
1 42 . 13 1 1 A 9 9 VAL H H 9 8.360 8.900 -0.540 1
1 43 . 13 1 1 A 9 9 VAL HA H 9 4.430 4.969 -0.539 1
1 51 . 13 1 1 A 10 10 VAL H H 10 8.890 8.765 0.125 1
1 52 . 13 1 1 A 10 10 VAL HA H 10 4.980 5.376 -0.396 1
1 60 . 13 1 1 A 11 11 VAL H H 11 8.540 9.048 -0.508 1
1 61 . 13 1 1 A 11 11 VAL HA H 11 5.000 4.956 0.044 1
1 69 . 13 1 1 A 12 12 ALA H H 12 8.760 9.233 -0.473 1
1 70 . 13 1 1 A 12 12 ALA HA H 12 4.580 4.815 -0.235 1
1 74 . 13 1 1 A 13 13 LYS H H 13 9.370 8.764 0.606 1
1 75 . 13 1 1 A 13 13 LYS HA H 13 3.850 4.238 -0.388 1
1 84 . 13 1 1 A 14 14 PHE H H 14 7.140 7.531 -0.391 1
1 85 . 13 1 1 A 14 14 PHE HA H 14 4.810 5.071 -0.261 1
1 93 . 13 1 1 A 15 15 ASP H H 15 8.360 9.085 -0.725 1
1 94 . 13 1 1 A 15 15 ASP HA H 15 4.790 5.754 -0.964 1
1 97 . 13 1 1 A 16 16 TYR H H 16 8.850 8.953 -0.103 1
1 98 . 13 1 1 A 16 16 TYR HA H 16 4.750 5.287 -0.537 1
1 105 . 13 1 1 A 17 17 VAL H H 17 7.190 8.294 -1.104 1
1 106 . 13 1 1 A 17 17 VAL HA H 17 4.150 4.225 -0.075 1
1 114 . 13 1 1 A 18 18 ALA H H 18 8.640 8.221 0.419 1
1 115 . 13 1 1 A 18 18 ALA HA H 18 4.230 4.697 -0.467 1
1 119 . 13 1 1 A 19 19 GLN H H 19 9.090 8.101 0.989 1
1 120 . 13 1 1 A 19 19 GLN HA H 19 4.310 3.956 0.354 1
1 127 . 13 1 1 A 20 20 GLN H H 20 7.210 7.981 -0.771 1
1 128 . 13 1 1 A 20 20 GLN HA H 20 4.590 4.380 0.210 1
1 135 . 13 1 1 A 21 21 GLU H H 21 8.980 8.920 0.060 1
1 136 . 13 1 1 A 21 21 GLU HA H 21 4.100 4.064 0.036 1
1 141 . 13 1 1 A 22 22 GLN H H 22 8.460 7.889 0.571 1
1 142 . 13 1 1 A 22 22 GLN HA H 22 4.550 4.121 0.429 1
1 149 . 13 1 1 A 23 23 GLU H H 23 7.730 7.724 0.006 1
1 150 . 13 1 1 A 23 23 GLU HA H 23 5.330 4.535 0.795 1
1 155 . 13 1 1 A 24 24 LEU H H 24 7.910 8.771 -0.861 1
1 156 . 13 1 1 A 24 24 LEU HA H 24 4.680 5.199 -0.519 1
1 166 . 13 1 1 A 25 25 ASP H H 25 7.640 8.927 -1.287 1
1 167 . 13 1 1 A 25 25 ASP HA H 25 5.150 4.953 0.197 1
1 170 . 13 1 1 A 26 26 ILE H H 26 8.930 8.807 0.123 1
1 171 . 13 1 1 A 26 26 ILE HA H 26 5.120 5.276 -0.156 1
1 181 . 13 1 1 A 27 27 LYS H H 27 8.940 8.762 0.178 1
1 182 . 13 1 1 A 27 27 LYS HA H 27 5.090 4.818 0.272 1
1 191 . 13 1 1 A 28 28 LYS H H 28 8.990 8.625 0.365 1
1 192 . 13 1 1 A 28 28 LYS HA H 28 3.110 3.967 -0.857 1
1 201 . 13 1 1 A 29 29 ASN H H 29 8.690 9.258 -0.568 1
1 202 . 13 1 1 A 29 29 ASN HA H 29 4.170 4.139 0.031 1
1 207 . 13 1 1 A 30 30 GLU H H 30 8.650 7.857 0.793 1
1 208 . 13 1 1 A 30 30 GLU HA H 30 4.170 4.927 -0.757 1
1 213 . 13 1 1 A 31 31 ARG H H 31 8.500 8.726 -0.226 1
1 214 . 13 1 1 A 31 31 ARG HA H 31 4.580 4.658 -0.078 1
1 222 . 13 1 1 A 32 32 LEU H H 32 8.860 9.183 -0.323 1
1 223 . 13 1 1 A 32 32 LEU HA H 32 4.840 4.587 0.253 1
1 233 . 13 1 1 A 33 33 TRP H H 33 9.160 8.877 0.283 1
1 234 . 13 1 1 A 33 33 TRP HA H 33 5.100 5.259 -0.159 1
1 243 . 13 1 1 A 34 34 LEU H H 34 9.130 8.805 0.325 1
1 244 . 13 1 1 A 34 34 LEU HA H 34 4.330 4.415 -0.085 1
1 254 . 13 1 1 A 35 35 LEU H H 35 9.020 8.904 0.116 1
1 255 . 13 1 1 A 35 35 LEU HA H 35 4.610 4.436 0.174 1
1 265 . 13 1 1 A 36 36 ASP H H 36 7.460 7.567 -0.107 1
1 266 . 13 1 1 A 36 36 ASP HA H 36 4.760 4.878 -0.118 1
1 269 . 13 1 1 A 37 37 ASP H H 37 8.330 8.421 -0.091 1
1 270 . 13 1 1 A 37 37 ASP HA H 37 3.940 4.620 -0.680 1
1 273 . 13 1 1 A 38 38 SER H H 38 8.460 8.345 0.115 1
1 274 . 13 1 1 A 38 38 SER HA H 38 4.210 4.652 -0.442 1
1 277 . 13 1 1 A 39 39 LYS H H 39 8.450 7.657 0.793 1
1 278 . 13 1 1 A 39 39 LYS HA H 39 4.900 4.445 0.455 1
1 287 . 13 1 1 A 40 40 SER H H 40 8.350 8.911 -0.561 1
1 288 . 13 1 1 A 40 40 SER HA H 40 4.310 4.215 0.095 1
1 291 . 13 1 1 A 41 41 TRP H H 41 7.440 8.160 -0.720 1
1 292 . 13 1 1 A 41 41 TRP HA H 41 4.850 4.797 0.053 1
1 301 . 13 1 1 A 42 42 TRP H H 42 9.360 8.901 0.459 1
1 302 . 13 1 1 A 42 42 TRP HA H 42 5.440 5.132 0.308 1
1 311 . 13 1 1 A 43 43 ARG H H 43 8.810 9.077 -0.267 1
1 312 . 13 1 1 A 43 43 ARG HA H 43 4.540 4.556 -0.016 1
1 320 . 13 1 1 A 44 44 VAL H H 44 9.210 8.729 0.481 1
1 321 . 13 1 1 A 44 44 VAL HA H 44 5.510 5.183 0.327 1
1 329 . 13 1 1 A 45 45 ARG H H 45 9.260 8.925 0.335 1
1 330 . 13 1 1 A 45 45 ARG HA H 45 5.510 5.450 0.060 1
1 338 . 13 1 1 A 46 46 ASN H H 46 8.820 9.172 -0.352 1
1 339 . 13 1 1 A 46 46 ASN HA H 46 5.470 5.292 0.178 1
1 344 . 13 1 1 A 47 47 SER H H 47 9.730 9.055 0.675 1
1 345 . 13 1 1 A 47 47 SER HA H 47 4.320 4.372 -0.052 1
1 348 . 13 1 1 A 48 48 MET H H 48 7.650 7.591 0.059 1
1 349 . 13 1 1 A 48 48 MET HA H 48 4.720 4.582 0.138 1
1 357 . 13 1 1 A 49 49 ASN H H 49 8.430 8.023 0.407 1
1 358 . 13 1 1 A 49 49 ASN HA H 49 4.200 4.451 -0.251 1
1 363 . 13 1 1 A 50 50 LYS H H 50 8.090 7.794 0.296 1
1 364 . 13 1 1 A 50 50 LYS HA H 50 4.560 4.284 0.276 1
1 373 . 13 1 1 A 51 51 THR H H 51 8.310 8.707 -0.397 1
1 374 . 13 1 1 A 51 51 THR HA H 51 5.730 5.355 0.375 1
1 379 . 13 1 1 A 52 52 GLY H H 52 8.630 7.966 0.664 1
1 380 . 13 1 1 A 52 52 GLY HA2 H 52 4.090 4.239 -0.149 1
1 381 . 13 1 1 A 52 52 GLY HA3 H 52 3.920 4.300 -0.380 1
1 382 . 13 1 1 A 53 53 PHE H H 53 9.020 8.773 0.247 1
1 383 . 13 1 1 A 53 53 PHE HA H 53 5.860 5.210 0.650 1
1 391 . 13 1 1 A 54 54 VAL H H 54 9.150 8.993 0.157 1
1 399 . 13 1 1 A 55 55 PRO HA H 55 3.230 4.335 -1.105 1
1 406 . 13 1 1 A 56 56 SER H H 56 7.790 8.391 -0.601 1
1 407 . 13 1 1 A 57 57 ASN HA H 57 4.480 4.534 -0.054 1
1 412 . 13 1 1 A 58 58 TYR H H 58 7.950 7.799 0.151 1
1 413 . 13 1 1 A 58 58 TYR HA H 58 4.460 4.620 -0.160 1
1 420 . 13 1 1 A 59 59 VAL H H 59 7.300 7.072 0.228 1
1 421 . 13 1 1 A 59 59 VAL HA H 59 5.080 5.027 0.053 1
1 429 . 13 1 1 A 60 60 GLU H H 60 8.670 8.338 0.332 1
1 430 . 13 1 1 A 60 60 GLU HA H 60 4.780 4.853 -0.073 1
1 435 . 13 1 1 A 61 61 ARG H H 61 9.080 8.800 0.280 1
1 436 . 13 1 1 A 61 61 ARG HA H 61 4.540 4.563 -0.023 1
1 444 . 13 1 1 A 62 62 LYS H H 62 8.540 8.381 0.159 1
1 445 . 13 1 1 A 62 62 LYS HA H 62 4.370 4.096 0.274 1
1 454 . 13 1 1 A 63 63 ASN H H 63 8.660 8.735 -0.075 1
1 455 . 13 1 1 A 63 63 ASN HA H 63 4.760 4.822 -0.062 1
1 460 . 13 1 1 A 64 64 SER H H 64 8.380 8.251 0.129 1
1 461 . 13 1 1 A 64 64 SER HA H 64 4.420 4.025 0.395 1
1 464 . 13 1 1 A 65 65 ALA H H 65 8.380 7.745 0.635 1
1 465 . 13 1 1 A 65 65 ALA HA H 65 4.310 4.192 0.118 1
1 469 . 13 1 1 A 66 66 ARG H H 66 8.240 9.028 -0.788 1
1 470 . 13 1 1 A 66 66 ARG HA H 66 4.290 4.011 0.279 1
1 477 . 13 1 1 A 67 67 ALA H H 67 8.290 8.071 0.219 1
1 478 . 13 1 1 A 67 67 ALA HA H 67 4.290 3.998 0.292 1
1 482 . 13 1 1 A 68 68 ALA H H 68 8.270 8.058 0.212 1
1 483 . 13 1 1 A 68 68 ALA HA H 68 4.290 4.034 0.256 1
1 487 . 13 1 1 A 69 69 ALA H H 69 8.240 7.304 0.936 1
1 488 . 13 1 1 A 69 69 ALA HA H 69 4.320 4.154 0.166 1
1 492 . 13 1 1 A 70 70 ASN H H 70 8.390 8.698 -0.308 1
1 493 . 13 1 1 A 70 70 ASN HA H 70 4.750 4.705 0.045 1
1 496 . 13 1 1 A 71 71 SER H H 71 8.250 8.899 -0.649 1
1 497 . 13 1 1 A 71 71 SER HA H 71 4.520 4.799 -0.279 1
1 1 . 14 1 1 A 2 2 SER HA H 2 4.600 3.898 0.702 1
1 4 . 14 1 1 A 3 3 THR H H 3 8.340 8.169 0.171 1
1 5 . 14 1 1 A 3 3 THR HA H 3 4.380 4.239 0.141 1
1 10 . 14 1 1 A 4 4 MET H H 4 8.430 8.615 -0.185 1
1 11 . 14 1 1 A 4 4 MET HA H 4 4.460 4.446 0.014 1
1 16 . 14 1 1 A 5 5 ALA H H 5 8.340 7.654 0.686 1
1 17 . 14 1 1 A 5 5 ALA HA H 5 4.300 4.281 0.019 1
1 21 . 14 1 1 A 6 6 GLU H H 6 8.220 9.112 -0.892 1
1 22 . 14 1 1 A 6 6 GLU HA H 6 4.300 3.903 0.397 1
1 27 . 14 1 1 A 7 7 GLU H H 7 8.470 7.918 0.552 1
1 28 . 14 1 1 A 7 7 GLU HA H 7 4.440 4.803 -0.363 1
1 33 . 14 1 1 A 8 8 VAL H H 8 8.500 8.533 -0.033 1
1 34 . 14 1 1 A 8 8 VAL HA H 8 4.210 4.853 -0.643 1
1 42 . 14 1 1 A 9 9 VAL H H 9 8.360 8.806 -0.446 1
1 43 . 14 1 1 A 9 9 VAL HA H 9 4.430 4.947 -0.517 1
1 51 . 14 1 1 A 10 10 VAL H H 10 8.890 8.756 0.134 1
1 52 . 14 1 1 A 10 10 VAL HA H 10 4.980 5.266 -0.286 1
1 60 . 14 1 1 A 11 11 VAL H H 11 8.540 9.072 -0.532 1
1 61 . 14 1 1 A 11 11 VAL HA H 11 5.000 4.626 0.374 1
1 69 . 14 1 1 A 12 12 ALA H H 12 8.760 8.978 -0.218 1
1 70 . 14 1 1 A 12 12 ALA HA H 12 4.580 4.384 0.196 1
1 74 . 14 1 1 A 13 13 LYS H H 13 9.370 8.646 0.724 1
1 75 . 14 1 1 A 13 13 LYS HA H 13 3.850 4.319 -0.469 1
1 84 . 14 1 1 A 14 14 PHE H H 14 7.140 7.595 -0.455 1
1 85 . 14 1 1 A 14 14 PHE HA H 14 4.810 5.091 -0.281 1
1 93 . 14 1 1 A 15 15 ASP H H 15 8.360 9.222 -0.862 1
1 94 . 14 1 1 A 15 15 ASP HA H 15 4.790 5.777 -0.987 1
1 97 . 14 1 1 A 16 16 TYR H H 16 8.850 8.910 -0.060 1
1 98 . 14 1 1 A 16 16 TYR HA H 16 4.750 5.121 -0.371 1
1 105 . 14 1 1 A 17 17 VAL H H 17 7.190 8.379 -1.189 1
1 106 . 14 1 1 A 17 17 VAL HA H 17 4.150 4.257 -0.107 1
1 114 . 14 1 1 A 18 18 ALA H H 18 8.640 8.400 0.240 1
1 115 . 14 1 1 A 18 18 ALA HA H 18 4.230 4.370 -0.140 1
1 119 . 14 1 1 A 19 19 GLN H H 19 9.090 8.256 0.834 1
1 120 . 14 1 1 A 19 19 GLN HA H 19 4.310 3.946 0.364 1
1 127 . 14 1 1 A 20 20 GLN H H 20 7.210 7.822 -0.612 1
1 128 . 14 1 1 A 20 20 GLN HA H 20 4.590 4.340 0.250 1
1 135 . 14 1 1 A 21 21 GLU H H 21 8.980 8.880 0.100 1
1 136 . 14 1 1 A 21 21 GLU HA H 21 4.100 4.091 0.009 1
1 141 . 14 1 1 A 22 22 GLN H H 22 8.460 8.030 0.430 1
1 142 . 14 1 1 A 22 22 GLN HA H 22 4.550 4.058 0.492 1
1 149 . 14 1 1 A 23 23 GLU H H 23 7.730 7.797 -0.067 1
1 150 . 14 1 1 A 23 23 GLU HA H 23 5.330 4.552 0.778 1
1 155 . 14 1 1 A 24 24 LEU H H 24 7.910 8.627 -0.717 1
1 156 . 14 1 1 A 24 24 LEU HA H 24 4.680 5.251 -0.571 1
1 166 . 14 1 1 A 25 25 ASP H H 25 7.640 8.834 -1.194 1
1 167 . 14 1 1 A 25 25 ASP HA H 25 5.150 5.190 -0.040 1
1 170 . 14 1 1 A 26 26 ILE H H 26 8.930 8.746 0.184 1
1 171 . 14 1 1 A 26 26 ILE HA H 26 5.120 5.221 -0.101 1
1 181 . 14 1 1 A 27 27 LYS H H 27 8.940 8.754 0.186 1
1 182 . 14 1 1 A 27 27 LYS HA H 27 5.090 4.800 0.290 1
1 191 . 14 1 1 A 28 28 LYS H H 28 8.990 8.615 0.375 1
1 192 . 14 1 1 A 28 28 LYS HA H 28 3.110 4.170 -1.060 1
1 201 . 14 1 1 A 29 29 ASN H H 29 8.690 8.902 -0.212 1
1 202 . 14 1 1 A 29 29 ASN HA H 29 4.170 4.195 -0.025 1
1 207 . 14 1 1 A 30 30 GLU H H 30 8.650 7.439 1.211 1
1 208 . 14 1 1 A 30 30 GLU HA H 30 4.170 4.926 -0.756 1
1 213 . 14 1 1 A 31 31 ARG H H 31 8.500 8.706 -0.206 1
1 214 . 14 1 1 A 31 31 ARG HA H 31 4.580 4.617 -0.037 1
1 222 . 14 1 1 A 32 32 LEU H H 32 8.860 9.180 -0.320 1
1 223 . 14 1 1 A 32 32 LEU HA H 32 4.840 4.593 0.247 1
1 233 . 14 1 1 A 33 33 TRP H H 33 9.160 8.648 0.512 1
1 234 . 14 1 1 A 33 33 TRP HA H 33 5.100 5.279 -0.179 1
1 243 . 14 1 1 A 34 34 LEU H H 34 9.130 8.502 0.628 1
1 244 . 14 1 1 A 34 34 LEU HA H 34 4.330 4.425 -0.095 1
1 254 . 14 1 1 A 35 35 LEU H H 35 9.020 9.118 -0.098 1
1 255 . 14 1 1 A 35 35 LEU HA H 35 4.610 4.318 0.292 1
1 265 . 14 1 1 A 36 36 ASP H H 36 7.460 7.771 -0.311 1
1 266 . 14 1 1 A 36 36 ASP HA H 36 4.760 4.976 -0.216 1
1 269 . 14 1 1 A 37 37 ASP H H 37 8.330 8.364 -0.034 1
1 270 . 14 1 1 A 37 37 ASP HA H 37 3.940 4.617 -0.677 1
1 273 . 14 1 1 A 38 38 SER H H 38 8.460 8.121 0.339 1
1 274 . 14 1 1 A 38 38 SER HA H 38 4.210 4.571 -0.361 1
1 277 . 14 1 1 A 39 39 LYS H H 39 8.450 7.656 0.794 1
1 278 . 14 1 1 A 39 39 LYS HA H 39 4.900 4.436 0.464 1
1 287 . 14 1 1 A 40 40 SER H H 40 8.350 8.899 -0.549 1
1 288 . 14 1 1 A 40 40 SER HA H 40 4.310 4.181 0.129 1
1 291 . 14 1 1 A 41 41 TRP H H 41 7.440 8.161 -0.721 1
1 292 . 14 1 1 A 41 41 TRP HA H 41 4.850 4.835 0.015 1
1 301 . 14 1 1 A 42 42 TRP H H 42 9.360 9.136 0.224 1
1 302 . 14 1 1 A 42 42 TRP HA H 42 5.440 5.151 0.289 1
1 311 . 14 1 1 A 43 43 ARG H H 43 8.810 9.287 -0.477 1
1 312 . 14 1 1 A 43 43 ARG HA H 43 4.540 4.575 -0.035 1
1 320 . 14 1 1 A 44 44 VAL H H 44 9.210 8.786 0.424 1
1 321 . 14 1 1 A 44 44 VAL HA H 44 5.510 5.159 0.351 1
1 329 . 14 1 1 A 45 45 ARG H H 45 9.260 9.195 0.065 1
1 330 . 14 1 1 A 45 45 ARG HA H 45 5.510 5.324 0.186 1
1 338 . 14 1 1 A 46 46 ASN H H 46 8.820 9.020 -0.200 1
1 339 . 14 1 1 A 46 46 ASN HA H 46 5.470 5.431 0.039 1
1 344 . 14 1 1 A 47 47 SER H H 47 9.730 9.025 0.705 1
1 345 . 14 1 1 A 47 47 SER HA H 47 4.320 4.534 -0.214 1
1 348 . 14 1 1 A 48 48 MET H H 48 7.650 8.030 -0.380 1
1 349 . 14 1 1 A 48 48 MET HA H 48 4.720 4.586 0.134 1
1 357 . 14 1 1 A 49 49 ASN H H 49 8.430 8.223 0.207 1
1 358 . 14 1 1 A 49 49 ASN HA H 49 4.200 4.480 -0.280 1
1 363 . 14 1 1 A 50 50 LYS H H 50 8.090 7.845 0.245 1
1 364 . 14 1 1 A 50 50 LYS HA H 50 4.560 4.390 0.170 1
1 373 . 14 1 1 A 51 51 THR H H 51 8.310 8.674 -0.364 1
1 374 . 14 1 1 A 51 51 THR HA H 51 5.730 5.147 0.583 1
1 379 . 14 1 1 A 52 52 GLY H H 52 8.630 8.134 0.496 1
1 380 . 14 1 1 A 52 52 GLY HA2 H 52 4.090 4.161 -0.071 1
1 381 . 14 1 1 A 52 52 GLY HA3 H 52 3.920 4.217 -0.297 1
1 382 . 14 1 1 A 53 53 PHE H H 53 9.020 8.764 0.256 1
1 383 . 14 1 1 A 53 53 PHE HA H 53 5.860 5.179 0.681 1
1 391 . 14 1 1 A 54 54 VAL H H 54 9.150 9.273 -0.123 1
1 399 . 14 1 1 A 55 55 PRO HA H 55 3.230 4.302 -1.072 1
1 406 . 14 1 1 A 56 56 SER H H 56 7.790 8.270 -0.480 1
1 407 . 14 1 1 A 57 57 ASN HA H 57 4.480 4.513 -0.033 1
1 412 . 14 1 1 A 58 58 TYR H H 58 7.950 7.512 0.438 1
1 413 . 14 1 1 A 58 58 TYR HA H 58 4.460 4.670 -0.210 1
1 420 . 14 1 1 A 59 59 VAL H H 59 7.300 7.422 -0.122 1
1 421 . 14 1 1 A 59 59 VAL HA H 59 5.080 4.785 0.295 1
1 429 . 14 1 1 A 60 60 GLU H H 60 8.670 8.750 -0.080 1
1 430 . 14 1 1 A 60 60 GLU HA H 60 4.780 4.680 0.100 1
1 435 . 14 1 1 A 61 61 ARG H H 61 9.080 8.685 0.395 1
1 436 . 14 1 1 A 61 61 ARG HA H 61 4.540 4.493 0.047 1
1 444 . 14 1 1 A 62 62 LYS H H 62 8.540 8.673 -0.133 1
1 445 . 14 1 1 A 62 62 LYS HA H 62 4.370 4.198 0.172 1
1 454 . 14 1 1 A 63 63 ASN H H 63 8.660 8.615 0.045 1
1 455 . 14 1 1 A 63 63 ASN HA H 63 4.760 5.015 -0.255 1
1 460 . 14 1 1 A 64 64 SER H H 64 8.380 8.126 0.254 1
1 461 . 14 1 1 A 64 64 SER HA H 64 4.420 4.519 -0.099 1
1 464 . 14 1 1 A 65 65 ALA H H 65 8.380 8.436 -0.056 1
1 465 . 14 1 1 A 65 65 ALA HA H 65 4.310 4.728 -0.418 1
1 469 . 14 1 1 A 66 66 ARG H H 66 8.240 8.179 0.061 1
1 470 . 14 1 1 A 66 66 ARG HA H 66 4.290 4.810 -0.520 1
1 477 . 14 1 1 A 67 67 ALA H H 67 8.290 8.864 -0.574 1
1 478 . 14 1 1 A 67 67 ALA HA H 67 4.290 4.054 0.236 1
1 482 . 14 1 1 A 68 68 ALA H H 68 8.270 8.108 0.162 1
1 483 . 14 1 1 A 68 68 ALA HA H 68 4.290 4.076 0.214 1
1 487 . 14 1 1 A 69 69 ALA H H 69 8.240 7.495 0.745 1
1 488 . 14 1 1 A 69 69 ALA HA H 69 4.320 4.182 0.138 1
1 492 . 14 1 1 A 70 70 ASN H H 70 8.390 8.697 -0.307 1
1 493 . 14 1 1 A 70 70 ASN HA H 70 4.750 4.698 0.052 1
1 496 . 14 1 1 A 71 71 SER H H 71 8.250 8.414 -0.164 1
1 497 . 14 1 1 A 71 71 SER HA H 71 4.520 5.231 -0.711 1
1 1 . 15 1 1 A 2 2 SER HA H 2 4.600 4.921 -0.321 1
1 4 . 15 1 1 A 3 3 THR H H 3 8.340 8.377 -0.037 1
1 5 . 15 1 1 A 3 3 THR HA H 3 4.380 4.247 0.133 1
1 10 . 15 1 1 A 4 4 MET H H 4 8.430 8.497 -0.067 1
1 11 . 15 1 1 A 4 4 MET HA H 4 4.460 4.366 0.094 1
1 16 . 15 1 1 A 5 5 ALA H H 5 8.340 8.956 -0.616 1
1 17 . 15 1 1 A 5 5 ALA HA H 5 4.300 4.047 0.253 1
1 21 . 15 1 1 A 6 6 GLU H H 6 8.220 8.127 0.093 1
1 22 . 15 1 1 A 6 6 GLU HA H 6 4.300 3.976 0.324 1
1 27 . 15 1 1 A 7 7 GLU H H 7 8.470 7.644 0.826 1
1 28 . 15 1 1 A 7 7 GLU HA H 7 4.440 4.996 -0.556 1
1 33 . 15 1 1 A 8 8 VAL H H 8 8.500 8.471 0.029 1
1 34 . 15 1 1 A 8 8 VAL HA H 8 4.210 4.799 -0.589 1
1 42 . 15 1 1 A 9 9 VAL H H 9 8.360 9.063 -0.703 1
1 43 . 15 1 1 A 9 9 VAL HA H 9 4.430 5.073 -0.643 1
1 51 . 15 1 1 A 10 10 VAL H H 10 8.890 9.381 -0.491 1
1 52 . 15 1 1 A 10 10 VAL HA H 10 4.980 5.256 -0.276 1
1 60 . 15 1 1 A 11 11 VAL H H 11 8.540 9.073 -0.533 1
1 61 . 15 1 1 A 11 11 VAL HA H 11 5.000 4.706 0.294 1
1 69 . 15 1 1 A 12 12 ALA H H 12 8.760 9.089 -0.329 1
1 70 . 15 1 1 A 12 12 ALA HA H 12 4.580 4.771 -0.191 1
1 74 . 15 1 1 A 13 13 LYS H H 13 9.370 9.312 0.058 1
1 75 . 15 1 1 A 13 13 LYS HA H 13 3.850 4.357 -0.507 1
1 84 . 15 1 1 A 14 14 PHE H H 14 7.140 7.921 -0.781 1
1 85 . 15 1 1 A 14 14 PHE HA H 14 4.810 5.251 -0.441 1
1 93 . 15 1 1 A 15 15 ASP H H 15 8.360 8.927 -0.567 1
1 94 . 15 1 1 A 15 15 ASP HA H 15 4.790 5.157 -0.367 1
1 97 . 15 1 1 A 16 16 TYR H H 16 8.850 8.916 -0.066 1
1 98 . 15 1 1 A 16 16 TYR HA H 16 4.750 5.234 -0.484 1
1 105 . 15 1 1 A 17 17 VAL H H 17 7.190 8.344 -1.154 1
1 106 . 15 1 1 A 17 17 VAL HA H 17 4.150 4.203 -0.053 1
1 114 . 15 1 1 A 18 18 ALA H H 18 8.640 8.315 0.325 1
1 115 . 15 1 1 A 18 18 ALA HA H 18 4.230 4.716 -0.486 1
1 119 . 15 1 1 A 19 19 GLN H H 19 9.090 8.128 0.962 1
1 120 . 15 1 1 A 19 19 GLN HA H 19 4.310 3.942 0.368 1
1 127 . 15 1 1 A 20 20 GLN H H 20 7.210 7.942 -0.732 1
1 128 . 15 1 1 A 20 20 GLN HA H 20 4.590 4.299 0.291 1
1 135 . 15 1 1 A 21 21 GLU H H 21 8.980 8.892 0.088 1
1 136 . 15 1 1 A 21 21 GLU HA H 21 4.100 4.072 0.028 1
1 141 . 15 1 1 A 22 22 GLN H H 22 8.460 7.973 0.487 1
1 142 . 15 1 1 A 22 22 GLN HA H 22 4.550 4.072 0.478 1
1 149 . 15 1 1 A 23 23 GLU H H 23 7.730 7.776 -0.046 1
1 150 . 15 1 1 A 23 23 GLU HA H 23 5.330 4.555 0.775 1
1 155 . 15 1 1 A 24 24 LEU H H 24 7.910 8.707 -0.797 1
1 156 . 15 1 1 A 24 24 LEU HA H 24 4.680 5.352 -0.672 1
1 166 . 15 1 1 A 25 25 ASP H H 25 7.640 8.855 -1.215 1
1 167 . 15 1 1 A 25 25 ASP HA H 25 5.150 5.208 -0.058 1
1 170 . 15 1 1 A 26 26 ILE H H 26 8.930 8.730 0.200 1
1 171 . 15 1 1 A 26 26 ILE HA H 26 5.120 5.262 -0.142 1
1 181 . 15 1 1 A 27 27 LYS H H 27 8.940 8.748 0.192 1
1 182 . 15 1 1 A 27 27 LYS HA H 27 5.090 4.801 0.289 1
1 191 . 15 1 1 A 28 28 LYS H H 28 8.990 8.599 0.391 1
1 192 . 15 1 1 A 28 28 LYS HA H 28 3.110 3.906 -0.796 1
1 201 . 15 1 1 A 29 29 ASN H H 29 8.690 8.703 -0.013 1
1 202 . 15 1 1 A 29 29 ASN HA H 29 4.170 4.337 -0.167 1
1 207 . 15 1 1 A 30 30 GLU H H 30 8.650 7.639 1.011 1
1 208 . 15 1 1 A 30 30 GLU HA H 30 4.170 4.684 -0.514 1
1 213 . 15 1 1 A 31 31 ARG H H 31 8.500 8.732 -0.232 1
1 214 . 15 1 1 A 31 31 ARG HA H 31 4.580 4.486 0.094 1
1 222 . 15 1 1 A 32 32 LEU H H 32 8.860 8.977 -0.117 1
1 223 . 15 1 1 A 32 32 LEU HA H 32 4.840 4.655 0.185 1
1 233 . 15 1 1 A 33 33 TRP H H 33 9.160 8.578 0.582 1
1 234 . 15 1 1 A 33 33 TRP HA H 33 5.100 5.116 -0.016 1
1 243 . 15 1 1 A 34 34 LEU H H 34 9.130 9.091 0.039 1
1 244 . 15 1 1 A 34 34 LEU HA H 34 4.330 4.567 -0.237 1
1 254 . 15 1 1 A 35 35 LEU H H 35 9.020 8.975 0.045 1
1 255 . 15 1 1 A 35 35 LEU HA H 35 4.610 4.376 0.234 1
1 265 . 15 1 1 A 36 36 ASP H H 36 7.460 7.527 -0.067 1
1 266 . 15 1 1 A 36 36 ASP HA H 36 4.760 5.022 -0.262 1
1 269 . 15 1 1 A 37 37 ASP H H 37 8.330 8.400 -0.070 1
1 270 . 15 1 1 A 37 37 ASP HA H 37 3.940 4.794 -0.854 1
1 273 . 15 1 1 A 38 38 SER H H 38 8.460 8.148 0.312 1
1 274 . 15 1 1 A 38 38 SER HA H 38 4.210 4.535 -0.325 1
1 277 . 15 1 1 A 39 39 LYS H H 39 8.450 7.661 0.789 1
1 278 . 15 1 1 A 39 39 LYS HA H 39 4.900 4.448 0.452 1
1 287 . 15 1 1 A 40 40 SER H H 40 8.350 8.896 -0.546 1
1 288 . 15 1 1 A 40 40 SER HA H 40 4.310 4.202 0.108 1
1 291 . 15 1 1 A 41 41 TRP H H 41 7.440 8.121 -0.681 1
1 292 . 15 1 1 A 41 41 TRP HA H 41 4.850 4.820 0.030 1
1 301 . 15 1 1 A 42 42 TRP H H 42 9.360 9.148 0.212 1
1 302 . 15 1 1 A 42 42 TRP HA H 42 5.440 5.156 0.284 1
1 311 . 15 1 1 A 43 43 ARG H H 43 8.810 9.378 -0.568 1
1 312 . 15 1 1 A 43 43 ARG HA H 43 4.540 4.813 -0.273 1
1 320 . 15 1 1 A 44 44 VAL H H 44 9.210 8.827 0.383 1
1 321 . 15 1 1 A 44 44 VAL HA H 44 5.510 5.381 0.129 1
1 329 . 15 1 1 A 45 45 ARG H H 45 9.260 9.218 0.042 1
1 330 . 15 1 1 A 45 45 ARG HA H 45 5.510 5.376 0.134 1
1 338 . 15 1 1 A 46 46 ASN H H 46 8.820 9.054 -0.234 1
1 339 . 15 1 1 A 46 46 ASN HA H 46 5.470 5.333 0.137 1
1 344 . 15 1 1 A 47 47 SER H H 47 9.730 9.030 0.700 1
1 345 . 15 1 1 A 47 47 SER HA H 47 4.320 4.497 -0.177 1
1 348 . 15 1 1 A 48 48 MET H H 48 7.650 7.675 -0.025 1
1 349 . 15 1 1 A 48 48 MET HA H 48 4.720 4.587 0.133 1
1 357 . 15 1 1 A 49 49 ASN H H 49 8.430 8.574 -0.144 1
1 358 . 15 1 1 A 49 49 ASN HA H 49 4.200 4.518 -0.318 1
1 363 . 15 1 1 A 50 50 LYS H H 50 8.090 7.804 0.286 1
1 364 . 15 1 1 A 50 50 LYS HA H 50 4.560 4.300 0.260 1
1 373 . 15 1 1 A 51 51 THR H H 51 8.310 8.596 -0.286 1
1 374 . 15 1 1 A 51 51 THR HA H 51 5.730 5.440 0.290 1
1 379 . 15 1 1 A 52 52 GLY H H 52 8.630 8.108 0.522 1
1 380 . 15 1 1 A 52 52 GLY HA2 H 52 4.090 4.253 -0.163 1
1 381 . 15 1 1 A 52 52 GLY HA3 H 52 3.920 4.321 -0.401 1
1 382 . 15 1 1 A 53 53 PHE H H 53 9.020 8.678 0.342 1
1 383 . 15 1 1 A 53 53 PHE HA H 53 5.860 5.393 0.467 1
1 391 . 15 1 1 A 54 54 VAL H H 54 9.150 9.291 -0.141 1
1 399 . 15 1 1 A 55 55 PRO HA H 55 3.230 4.391 -1.161 1
1 406 . 15 1 1 A 56 56 SER H H 56 7.790 8.004 -0.214 1
1 407 . 15 1 1 A 57 57 ASN HA H 57 4.480 4.639 -0.159 1
1 412 . 15 1 1 A 58 58 TYR H H 58 7.950 8.057 -0.107 1
1 413 . 15 1 1 A 58 58 TYR HA H 58 4.460 4.758 -0.298 1
1 420 . 15 1 1 A 59 59 VAL H H 59 7.300 7.461 -0.161 1
1 421 . 15 1 1 A 59 59 VAL HA H 59 5.080 5.150 -0.070 1
1 429 . 15 1 1 A 60 60 GLU H H 60 8.670 8.452 0.218 1
1 430 . 15 1 1 A 60 60 GLU HA H 60 4.780 4.793 -0.013 1
1 435 . 15 1 1 A 61 61 ARG H H 61 9.080 8.858 0.222 1
1 436 . 15 1 1 A 61 61 ARG HA H 61 4.540 4.545 -0.005 1
1 444 . 15 1 1 A 62 62 LYS H H 62 8.540 8.700 -0.160 1
1 445 . 15 1 1 A 62 62 LYS HA H 62 4.370 3.798 0.572 1
1 454 . 15 1 1 A 63 63 ASN H H 63 8.660 8.113 0.547 1
1 455 . 15 1 1 A 63 63 ASN HA H 63 4.760 4.303 0.457 1
1 460 . 15 1 1 A 64 64 SER H H 64 8.380 7.835 0.545 1
1 461 . 15 1 1 A 64 64 SER HA H 64 4.420 4.636 -0.216 1
1 464 . 15 1 1 A 65 65 ALA H H 65 8.380 8.740 -0.360 1
1 465 . 15 1 1 A 65 65 ALA HA H 65 4.310 4.556 -0.246 1
1 469 . 15 1 1 A 66 66 ARG H H 66 8.240 7.343 0.897 1
1 470 . 15 1 1 A 66 66 ARG HA H 66 4.290 4.742 -0.452 1
1 477 . 15 1 1 A 67 67 ALA H H 67 8.290 8.969 -0.679 1
1 478 . 15 1 1 A 67 67 ALA HA H 67 4.290 4.039 0.251 1
1 482 . 15 1 1 A 68 68 ALA H H 68 8.270 8.029 0.241 1
1 483 . 15 1 1 A 68 68 ALA HA H 68 4.290 4.160 0.130 1
1 487 . 15 1 1 A 69 69 ALA H H 69 8.240 7.527 0.713 1
1 488 . 15 1 1 A 69 69 ALA HA H 69 4.320 4.114 0.206 1
1 492 . 15 1 1 A 70 70 ASN H H 70 8.390 8.523 -0.133 1
1 493 . 15 1 1 A 70 70 ASN HA H 70 4.750 5.137 -0.387 1
1 496 . 15 1 1 A 71 71 SER H H 71 8.250 8.738 -0.488 1
1 497 . 15 1 1 A 71 71 SER HA H 71 4.520 4.176 0.344 1
1 1 . 16 1 1 A 2 2 SER HA H 2 4.600 4.218 0.382 1
1 4 . 16 1 1 A 3 3 THR H H 3 8.340 8.301 0.039 1
1 5 . 16 1 1 A 3 3 THR HA H 3 4.380 4.021 0.359 1
1 10 . 16 1 1 A 4 4 MET H H 4 8.430 8.403 0.027 1
1 11 . 16 1 1 A 4 4 MET HA H 4 4.460 4.670 -0.210 1
1 16 . 16 1 1 A 5 5 ALA H H 5 8.340 7.712 0.628 1
1 17 . 16 1 1 A 5 5 ALA HA H 5 4.300 4.233 0.067 1
1 21 . 16 1 1 A 6 6 GLU H H 6 8.220 8.749 -0.529 1
1 22 . 16 1 1 A 6 6 GLU HA H 6 4.300 4.502 -0.202 1
1 27 . 16 1 1 A 7 7 GLU H H 7 8.470 8.424 0.046 1
1 28 . 16 1 1 A 7 7 GLU HA H 7 4.440 4.941 -0.501 1
1 33 . 16 1 1 A 8 8 VAL H H 8 8.500 8.410 0.090 1
1 34 . 16 1 1 A 8 8 VAL HA H 8 4.210 4.676 -0.466 1
1 42 . 16 1 1 A 9 9 VAL H H 9 8.360 9.105 -0.745 1
1 43 . 16 1 1 A 9 9 VAL HA H 9 4.430 4.989 -0.559 1
1 51 . 16 1 1 A 10 10 VAL H H 10 8.890 8.821 0.069 1
1 52 . 16 1 1 A 10 10 VAL HA H 10 4.980 5.313 -0.333 1
1 60 . 16 1 1 A 11 11 VAL H H 11 8.540 9.428 -0.888 1
1 61 . 16 1 1 A 11 11 VAL HA H 11 5.000 4.782 0.218 1
1 69 . 16 1 1 A 12 12 ALA H H 12 8.760 8.536 0.224 1
1 70 . 16 1 1 A 12 12 ALA HA H 12 4.580 4.809 -0.229 1
1 74 . 16 1 1 A 13 13 LYS H H 13 9.370 9.464 -0.094 1
1 75 . 16 1 1 A 13 13 LYS HA H 13 3.850 4.305 -0.455 1
1 84 . 16 1 1 A 14 14 PHE H H 14 7.140 7.852 -0.712 1
1 85 . 16 1 1 A 14 14 PHE HA H 14 4.810 5.249 -0.439 1
1 93 . 16 1 1 A 15 15 ASP H H 15 8.360 8.946 -0.586 1
1 94 . 16 1 1 A 15 15 ASP HA H 15 4.790 5.094 -0.304 1
1 97 . 16 1 1 A 16 16 TYR H H 16 8.850 8.882 -0.032 1
1 98 . 16 1 1 A 16 16 TYR HA H 16 4.750 5.230 -0.480 1
1 105 . 16 1 1 A 17 17 VAL H H 17 7.190 8.381 -1.191 1
1 106 . 16 1 1 A 17 17 VAL HA H 17 4.150 4.218 -0.068 1
1 114 . 16 1 1 A 18 18 ALA H H 18 8.640 8.170 0.470 1
1 115 . 16 1 1 A 18 18 ALA HA H 18 4.230 4.374 -0.144 1
1 119 . 16 1 1 A 19 19 GLN H H 19 9.090 8.263 0.827 1
1 120 . 16 1 1 A 19 19 GLN HA H 19 4.310 3.919 0.391 1
1 127 . 16 1 1 A 20 20 GLN H H 20 7.210 7.886 -0.676 1
1 128 . 16 1 1 A 20 20 GLN HA H 20 4.590 4.296 0.294 1
1 135 . 16 1 1 A 21 21 GLU H H 21 8.980 8.879 0.101 1
1 136 . 16 1 1 A 21 21 GLU HA H 21 4.100 4.089 0.011 1
1 141 . 16 1 1 A 22 22 GLN H H 22 8.460 8.009 0.451 1
1 142 . 16 1 1 A 22 22 GLN HA H 22 4.550 4.020 0.530 1
1 149 . 16 1 1 A 23 23 GLU H H 23 7.730 7.988 -0.258 1
1 150 . 16 1 1 A 23 23 GLU HA H 23 5.330 4.518 0.812 1
1 155 . 16 1 1 A 24 24 LEU H H 24 7.910 8.686 -0.776 1
1 156 . 16 1 1 A 24 24 LEU HA H 24 4.680 5.147 -0.467 1
1 166 . 16 1 1 A 25 25 ASP H H 25 7.640 8.763 -1.123 1
1 167 . 16 1 1 A 25 25 ASP HA H 25 5.150 4.667 0.483 1
1 170 . 16 1 1 A 26 26 ILE H H 26 8.930 8.658 0.272 1
1 171 . 16 1 1 A 26 26 ILE HA H 26 5.120 5.237 -0.117 1
1 181 . 16 1 1 A 27 27 LYS H H 27 8.940 8.728 0.212 1
1 182 . 16 1 1 A 27 27 LYS HA H 27 5.090 4.867 0.223 1
1 191 . 16 1 1 A 28 28 LYS H H 28 8.990 8.590 0.400 1
1 192 . 16 1 1 A 28 28 LYS HA H 28 3.110 3.914 -0.804 1
1 201 . 16 1 1 A 29 29 ASN H H 29 8.690 9.011 -0.321 1
1 202 . 16 1 1 A 29 29 ASN HA H 29 4.170 4.212 -0.042 1
1 207 . 16 1 1 A 30 30 GLU H H 30 8.650 7.424 1.226 1
1 208 . 16 1 1 A 30 30 GLU HA H 30 4.170 4.746 -0.576 1
1 213 . 16 1 1 A 31 31 ARG H H 31 8.500 8.625 -0.125 1
1 214 . 16 1 1 A 31 31 ARG HA H 31 4.580 4.486 0.094 1
1 222 . 16 1 1 A 32 32 LEU H H 32 8.860 9.267 -0.407 1
1 223 . 16 1 1 A 32 32 LEU HA H 32 4.840 4.585 0.255 1
1 233 . 16 1 1 A 33 33 TRP H H 33 9.160 8.664 0.496 1
1 234 . 16 1 1 A 33 33 TRP HA H 33 5.100 5.352 -0.252 1
1 243 . 16 1 1 A 34 34 LEU H H 34 9.130 8.857 0.273 1
1 244 . 16 1 1 A 34 34 LEU HA H 34 4.330 4.506 -0.176 1
1 254 . 16 1 1 A 35 35 LEU H H 35 9.020 8.898 0.122 1
1 255 . 16 1 1 A 35 35 LEU HA H 35 4.610 4.613 -0.003 1
1 265 . 16 1 1 A 36 36 ASP H H 36 7.460 7.581 -0.121 1
1 266 . 16 1 1 A 36 36 ASP HA H 36 4.760 4.962 -0.202 1
1 269 . 16 1 1 A 37 37 ASP H H 37 8.330 8.593 -0.263 1
1 270 . 16 1 1 A 37 37 ASP HA H 37 3.940 4.721 -0.781 1
1 273 . 16 1 1 A 38 38 SER H H 38 8.460 8.017 0.443 1
1 274 . 16 1 1 A 38 38 SER HA H 38 4.210 4.287 -0.077 1
1 277 . 16 1 1 A 39 39 LYS H H 39 8.450 7.723 0.727 1
1 278 . 16 1 1 A 39 39 LYS HA H 39 4.900 4.446 0.454 1
1 287 . 16 1 1 A 40 40 SER H H 40 8.350 8.923 -0.573 1
1 288 . 16 1 1 A 40 40 SER HA H 40 4.310 4.175 0.135 1
1 291 . 16 1 1 A 41 41 TRP H H 41 7.440 8.098 -0.658 1
1 292 . 16 1 1 A 41 41 TRP HA H 41 4.850 4.783 0.067 1
1 301 . 16 1 1 A 42 42 TRP H H 42 9.360 8.943 0.417 1
1 302 . 16 1 1 A 42 42 TRP HA H 42 5.440 5.224 0.216 1
1 311 . 16 1 1 A 43 43 ARG H H 43 8.810 9.500 -0.690 1
1 312 . 16 1 1 A 43 43 ARG HA H 43 4.540 4.672 -0.132 1
1 320 . 16 1 1 A 44 44 VAL H H 44 9.210 8.632 0.578 1
1 321 . 16 1 1 A 44 44 VAL HA H 44 5.510 5.284 0.226 1
1 329 . 16 1 1 A 45 45 ARG H H 45 9.260 9.232 0.028 1
1 330 . 16 1 1 A 45 45 ARG HA H 45 5.510 5.303 0.207 1
1 338 . 16 1 1 A 46 46 ASN H H 46 8.820 9.077 -0.257 1
1 339 . 16 1 1 A 46 46 ASN HA H 46 5.470 5.445 0.025 1
1 344 . 16 1 1 A 47 47 SER H H 47 9.730 9.084 0.646 1
1 345 . 16 1 1 A 47 47 SER HA H 47 4.320 4.377 -0.057 1
1 348 . 16 1 1 A 48 48 MET H H 48 7.650 7.729 -0.079 1
1 349 . 16 1 1 A 48 48 MET HA H 48 4.720 4.579 0.141 1
1 357 . 16 1 1 A 49 49 ASN H H 49 8.430 8.576 -0.146 1
1 358 . 16 1 1 A 49 49 ASN HA H 49 4.200 4.469 -0.269 1
1 363 . 16 1 1 A 50 50 LYS H H 50 8.090 7.777 0.313 1
1 364 . 16 1 1 A 50 50 LYS HA H 50 4.560 4.286 0.274 1
1 373 . 16 1 1 A 51 51 THR H H 51 8.310 8.664 -0.354 1
1 374 . 16 1 1 A 51 51 THR HA H 51 5.730 5.234 0.496 1
1 379 . 16 1 1 A 52 52 GLY H H 52 8.630 8.527 0.103 1
1 380 . 16 1 1 A 52 52 GLY HA2 H 52 4.090 4.359 -0.269 1
1 381 . 16 1 1 A 52 52 GLY HA3 H 52 3.920 4.440 -0.520 1
1 382 . 16 1 1 A 53 53 PHE H H 53 9.020 8.835 0.185 1
1 383 . 16 1 1 A 53 53 PHE HA H 53 5.860 5.083 0.777 1
1 391 . 16 1 1 A 54 54 VAL H H 54 9.150 9.021 0.129 1
1 399 . 16 1 1 A 55 55 PRO HA H 55 3.230 4.249 -1.019 1
1 406 . 16 1 1 A 56 56 SER H H 56 7.790 8.028 -0.238 1
1 407 . 16 1 1 A 57 57 ASN HA H 57 4.480 4.811 -0.331 1
1 412 . 16 1 1 A 58 58 TYR H H 58 7.950 7.896 0.054 1
1 413 . 16 1 1 A 58 58 TYR HA H 58 4.460 4.657 -0.197 1
1 420 . 16 1 1 A 59 59 VAL H H 59 7.300 7.525 -0.225 1
1 421 . 16 1 1 A 59 59 VAL HA H 59 5.080 5.015 0.065 1
1 429 . 16 1 1 A 60 60 GLU H H 60 8.670 8.434 0.236 1
1 430 . 16 1 1 A 60 60 GLU HA H 60 4.780 4.923 -0.143 1
1 435 . 16 1 1 A 61 61 ARG H H 61 9.080 8.519 0.561 1
1 436 . 16 1 1 A 61 61 ARG HA H 61 4.540 4.420 0.120 1
1 444 . 16 1 1 A 62 62 LYS H H 62 8.540 8.486 0.054 1
1 445 . 16 1 1 A 62 62 LYS HA H 62 4.370 4.232 0.138 1
1 454 . 16 1 1 A 63 63 ASN H H 63 8.660 8.928 -0.268 1
1 455 . 16 1 1 A 63 63 ASN HA H 63 4.760 5.082 -0.322 1
1 460 . 16 1 1 A 64 64 SER H H 64 8.380 7.794 0.586 1
1 461 . 16 1 1 A 64 64 SER HA H 64 4.420 4.692 -0.272 1
1 464 . 16 1 1 A 65 65 ALA H H 65 8.380 8.088 0.292 1
1 465 . 16 1 1 A 65 65 ALA HA H 65 4.310 4.525 -0.215 1
1 469 . 16 1 1 A 66 66 ARG H H 66 8.240 8.272 -0.032 1
1 470 . 16 1 1 A 66 66 ARG HA H 66 4.290 4.060 0.230 1
1 477 . 16 1 1 A 67 67 ALA H H 67 8.290 9.027 -0.737 1
1 478 . 16 1 1 A 67 67 ALA HA H 67 4.290 4.049 0.241 1
1 482 . 16 1 1 A 68 68 ALA H H 68 8.270 8.071 0.199 1
1 483 . 16 1 1 A 68 68 ALA HA H 68 4.290 4.105 0.185 1
1 487 . 16 1 1 A 69 69 ALA H H 69 8.240 7.659 0.581 1
1 488 . 16 1 1 A 69 69 ALA HA H 69 4.320 4.232 0.088 1
1 492 . 16 1 1 A 70 70 ASN H H 70 8.390 8.788 -0.398 1
1 493 . 16 1 1 A 70 70 ASN HA H 70 4.750 4.520 0.230 1
1 496 . 16 1 1 A 71 71 SER H H 71 8.250 8.697 -0.447 1
1 497 . 16 1 1 A 71 71 SER HA H 71 4.520 4.759 -0.239 1
1 1 . 17 1 1 A 2 2 SER HA H 2 4.600 5.135 -0.535 1
1 4 . 17 1 1 A 3 3 THR H H 3 8.340 8.643 -0.303 1
1 5 . 17 1 1 A 3 3 THR HA H 3 4.380 5.047 -0.667 1
1 10 . 17 1 1 A 4 4 MET H H 4 8.430 8.733 -0.303 1
1 11 . 17 1 1 A 4 4 MET HA H 4 4.460 4.428 0.032 1
1 16 . 17 1 1 A 5 5 ALA H H 5 8.340 8.510 -0.170 1
1 17 . 17 1 1 A 5 5 ALA HA H 5 4.300 4.404 -0.104 1
1 21 . 17 1 1 A 6 6 GLU H H 6 8.220 8.187 0.033 1
1 22 . 17 1 1 A 6 6 GLU HA H 6 4.300 4.792 -0.492 1
1 27 . 17 1 1 A 7 7 GLU H H 7 8.470 8.404 0.066 1
1 28 . 17 1 1 A 7 7 GLU HA H 7 4.440 4.909 -0.469 1
1 33 . 17 1 1 A 8 8 VAL H H 8 8.500 8.593 -0.093 1
1 34 . 17 1 1 A 8 8 VAL HA H 8 4.210 4.839 -0.629 1
1 42 . 17 1 1 A 9 9 VAL H H 9 8.360 8.936 -0.576 1
1 43 . 17 1 1 A 9 9 VAL HA H 9 4.430 5.040 -0.610 1
1 51 . 17 1 1 A 10 10 VAL H H 10 8.890 8.745 0.145 1
1 52 . 17 1 1 A 10 10 VAL HA H 10 4.980 5.331 -0.351 1
1 60 . 17 1 1 A 11 11 VAL H H 11 8.540 8.740 -0.200 1
1 61 . 17 1 1 A 11 11 VAL HA H 11 5.000 4.832 0.168 1
1 69 . 17 1 1 A 12 12 ALA H H 12 8.760 8.890 -0.130 1
1 70 . 17 1 1 A 12 12 ALA HA H 12 4.580 4.285 0.295 1
1 74 . 17 1 1 A 13 13 LYS H H 13 9.370 8.681 0.689 1
1 75 . 17 1 1 A 13 13 LYS HA H 13 3.850 4.207 -0.357 1
1 84 . 17 1 1 A 14 14 PHE H H 14 7.140 7.515 -0.375 1
1 85 . 17 1 1 A 14 14 PHE HA H 14 4.810 5.031 -0.221 1
1 93 . 17 1 1 A 15 15 ASP H H 15 8.360 9.211 -0.851 1
1 94 . 17 1 1 A 15 15 ASP HA H 15 4.790 5.784 -0.994 1
1 97 . 17 1 1 A 16 16 TYR H H 16 8.850 8.993 -0.143 1
1 98 . 17 1 1 A 16 16 TYR HA H 16 4.750 5.163 -0.413 1
1 105 . 17 1 1 A 17 17 VAL H H 17 7.190 8.224 -1.034 1
1 106 . 17 1 1 A 17 17 VAL HA H 17 4.150 4.289 -0.139 1
1 114 . 17 1 1 A 18 18 ALA H H 18 8.640 8.419 0.221 1
1 115 . 17 1 1 A 18 18 ALA HA H 18 4.230 4.392 -0.162 1
1 119 . 17 1 1 A 19 19 GLN H H 19 9.090 8.203 0.887 1
1 120 . 17 1 1 A 19 19 GLN HA H 19 4.310 3.926 0.384 1
1 127 . 17 1 1 A 20 20 GLN H H 20 7.210 7.976 -0.766 1
1 128 . 17 1 1 A 20 20 GLN HA H 20 4.590 4.352 0.238 1
1 135 . 17 1 1 A 21 21 GLU H H 21 8.980 8.900 0.080 1
1 136 . 17 1 1 A 21 21 GLU HA H 21 4.100 4.086 0.014 1
1 141 . 17 1 1 A 22 22 GLN H H 22 8.460 7.942 0.518 1
1 142 . 17 1 1 A 22 22 GLN HA H 22 4.550 4.023 0.527 1
1 149 . 17 1 1 A 23 23 GLU H H 23 7.730 7.719 0.011 1
1 150 . 17 1 1 A 23 23 GLU HA H 23 5.330 4.520 0.810 1
1 155 . 17 1 1 A 24 24 LEU H H 24 7.910 8.623 -0.713 1
1 156 . 17 1 1 A 24 24 LEU HA H 24 4.680 5.058 -0.378 1
1 166 . 17 1 1 A 25 25 ASP H H 25 7.640 8.832 -1.192 1
1 167 . 17 1 1 A 25 25 ASP HA H 25 5.150 5.273 -0.123 1
1 170 . 17 1 1 A 26 26 ILE H H 26 8.930 8.904 0.026 1
1 171 . 17 1 1 A 26 26 ILE HA H 26 5.120 5.234 -0.114 1
1 181 . 17 1 1 A 27 27 LYS H H 27 8.940 8.749 0.191 1
1 182 . 17 1 1 A 27 27 LYS HA H 27 5.090 4.811 0.279 1
1 191 . 17 1 1 A 28 28 LYS H H 28 8.990 8.625 0.365 1
1 192 . 17 1 1 A 28 28 LYS HA H 28 3.110 4.309 -1.199 1
1 201 . 17 1 1 A 29 29 ASN H H 29 8.690 9.120 -0.430 1
1 202 . 17 1 1 A 29 29 ASN HA H 29 4.170 4.295 -0.125 1
1 207 . 17 1 1 A 30 30 GLU H H 30 8.650 7.371 1.279 1
1 208 . 17 1 1 A 30 30 GLU HA H 30 4.170 4.877 -0.707 1
1 213 . 17 1 1 A 31 31 ARG H H 31 8.500 8.779 -0.279 1
1 214 . 17 1 1 A 31 31 ARG HA H 31 4.580 4.530 0.050 1
1 222 . 17 1 1 A 32 32 LEU H H 32 8.860 9.089 -0.229 1
1 223 . 17 1 1 A 32 32 LEU HA H 32 4.840 4.624 0.216 1
1 233 . 17 1 1 A 33 33 TRP H H 33 9.160 8.596 0.564 1
1 234 . 17 1 1 A 33 33 TRP HA H 33 5.100 5.305 -0.205 1
1 243 . 17 1 1 A 34 34 LEU H H 34 9.130 8.989 0.141 1
1 244 . 17 1 1 A 34 34 LEU HA H 34 4.330 4.435 -0.105 1
1 254 . 17 1 1 A 35 35 LEU H H 35 9.020 9.067 -0.047 1
1 255 . 17 1 1 A 35 35 LEU HA H 35 4.610 4.437 0.173 1
1 265 . 17 1 1 A 36 36 ASP H H 36 7.460 7.756 -0.296 1
1 266 . 17 1 1 A 36 36 ASP HA H 36 4.760 4.941 -0.181 1
1 269 . 17 1 1 A 37 37 ASP H H 37 8.330 8.439 -0.109 1
1 270 . 17 1 1 A 37 37 ASP HA H 37 3.940 4.367 -0.427 1
1 273 . 17 1 1 A 38 38 SER H H 38 8.460 8.143 0.317 1
1 274 . 17 1 1 A 38 38 SER HA H 38 4.210 4.600 -0.390 1
1 277 . 17 1 1 A 39 39 LYS H H 39 8.450 7.619 0.831 1
1 278 . 17 1 1 A 39 39 LYS HA H 39 4.900 4.446 0.454 1
1 287 . 17 1 1 A 40 40 SER H H 40 8.350 8.909 -0.559 1
1 288 . 17 1 1 A 40 40 SER HA H 40 4.310 4.197 0.113 1
1 291 . 17 1 1 A 41 41 TRP H H 41 7.440 8.156 -0.716 1
1 292 . 17 1 1 A 41 41 TRP HA H 41 4.850 5.089 -0.239 1
1 301 . 17 1 1 A 42 42 TRP H H 42 9.360 9.388 -0.028 1
1 302 . 17 1 1 A 42 42 TRP HA H 42 5.440 5.180 0.260 1
1 311 . 17 1 1 A 43 43 ARG H H 43 8.810 9.199 -0.389 1
1 312 . 17 1 1 A 43 43 ARG HA H 43 4.540 4.553 -0.013 1
1 320 . 17 1 1 A 44 44 VAL H H 44 9.210 8.796 0.414 1
1 321 . 17 1 1 A 44 44 VAL HA H 44 5.510 5.191 0.319 1
1 329 . 17 1 1 A 45 45 ARG H H 45 9.260 9.192 0.068 1
1 330 . 17 1 1 A 45 45 ARG HA H 45 5.510 5.283 0.227 1
1 338 . 17 1 1 A 46 46 ASN H H 46 8.820 9.003 -0.183 1
1 339 . 17 1 1 A 46 46 ASN HA H 46 5.470 5.419 0.051 1
1 344 . 17 1 1 A 47 47 SER H H 47 9.730 9.049 0.681 1
1 345 . 17 1 1 A 47 47 SER HA H 47 4.320 4.520 -0.200 1
1 348 . 17 1 1 A 48 48 MET H H 48 7.650 8.031 -0.381 1
1 349 . 17 1 1 A 48 48 MET HA H 48 4.720 4.566 0.154 1
1 357 . 17 1 1 A 49 49 ASN H H 49 8.430 8.391 0.039 1
1 358 . 17 1 1 A 49 49 ASN HA H 49 4.200 4.494 -0.294 1
1 363 . 17 1 1 A 50 50 LYS H H 50 8.090 7.914 0.176 1
1 364 . 17 1 1 A 50 50 LYS HA H 50 4.560 4.422 0.138 1
1 373 . 17 1 1 A 51 51 THR H H 51 8.310 8.686 -0.376 1
1 374 . 17 1 1 A 51 51 THR HA H 51 5.730 5.241 0.489 1
1 379 . 17 1 1 A 52 52 GLY H H 52 8.630 8.107 0.523 1
1 380 . 17 1 1 A 52 52 GLY HA2 H 52 4.090 4.207 -0.117 1
1 381 . 17 1 1 A 52 52 GLY HA3 H 52 3.920 4.261 -0.341 1
1 382 . 17 1 1 A 53 53 PHE H H 53 9.020 8.815 0.205 1
1 383 . 17 1 1 A 53 53 PHE HA H 53 5.860 5.079 0.781 1
1 391 . 17 1 1 A 54 54 VAL H H 54 9.150 9.097 0.053 1
1 399 . 17 1 1 A 55 55 PRO HA H 55 3.230 4.368 -1.138 1
1 406 . 17 1 1 A 56 56 SER H H 56 7.790 8.324 -0.534 1
1 407 . 17 1 1 A 57 57 ASN HA H 57 4.480 4.420 0.060 1
1 412 . 17 1 1 A 58 58 TYR H H 58 7.950 7.798 0.152 1
1 413 . 17 1 1 A 58 58 TYR HA H 58 4.460 4.725 -0.265 1
1 420 . 17 1 1 A 59 59 VAL H H 59 7.300 7.501 -0.201 1
1 421 . 17 1 1 A 59 59 VAL HA H 59 5.080 4.800 0.280 1
1 429 . 17 1 1 A 60 60 GLU H H 60 8.670 8.737 -0.067 1
1 430 . 17 1 1 A 60 60 GLU HA H 60 4.780 4.699 0.081 1
1 435 . 17 1 1 A 61 61 ARG H H 61 9.080 8.604 0.476 1
1 436 . 17 1 1 A 61 61 ARG HA H 61 4.540 4.280 0.260 1
1 444 . 17 1 1 A 62 62 LYS H H 62 8.540 8.887 -0.347 1
1 445 . 17 1 1 A 62 62 LYS HA H 62 4.370 4.881 -0.511 1
1 454 . 17 1 1 A 63 63 ASN H H 63 8.660 8.490 0.170 1
1 455 . 17 1 1 A 63 63 ASN HA H 63 4.760 5.066 -0.306 1
1 460 . 17 1 1 A 64 64 SER H H 64 8.380 7.984 0.396 1
1 461 . 17 1 1 A 64 64 SER HA H 64 4.420 4.239 0.181 1
1 464 . 17 1 1 A 65 65 ALA H H 65 8.380 7.569 0.811 1
1 465 . 17 1 1 A 65 65 ALA HA H 65 4.310 4.397 -0.087 1
1 469 . 17 1 1 A 66 66 ARG H H 66 8.240 8.253 -0.013 1
1 470 . 17 1 1 A 66 66 ARG HA H 66 4.290 4.583 -0.293 1
1 477 . 17 1 1 A 67 67 ALA H H 67 8.290 8.894 -0.604 1
1 478 . 17 1 1 A 67 67 ALA HA H 67 4.290 4.056 0.234 1
1 482 . 17 1 1 A 68 68 ALA H H 68 8.270 7.877 0.393 1
1 483 . 17 1 1 A 68 68 ALA HA H 68 4.290 4.344 -0.054 1
1 487 . 17 1 1 A 69 69 ALA H H 69 8.240 7.861 0.379 1
1 488 . 17 1 1 A 69 69 ALA HA H 69 4.320 4.436 -0.116 1
1 492 . 17 1 1 A 70 70 ASN H H 70 8.390 8.382 0.008 1
1 493 . 17 1 1 A 70 70 ASN HA H 70 4.750 4.894 -0.144 1
1 496 . 17 1 1 A 71 71 SER H H 71 8.250 7.899 0.351 1
1 497 . 17 1 1 A 71 71 SER HA H 71 4.520 4.462 0.058 1
1 1 . 18 1 1 A 2 2 SER HA H 2 4.600 4.590 0.010 1
1 4 . 18 1 1 A 3 3 THR H H 3 8.340 8.032 0.308 1
1 5 . 18 1 1 A 3 3 THR HA H 3 4.380 4.375 0.005 1
1 10 . 18 1 1 A 4 4 MET H H 4 8.430 8.942 -0.512 1
1 11 . 18 1 1 A 4 4 MET HA H 4 4.460 4.739 -0.279 1
1 16 . 18 1 1 A 5 5 ALA H H 5 8.340 8.707 -0.367 1
1 17 . 18 1 1 A 5 5 ALA HA H 5 4.300 4.340 -0.040 1
1 21 . 18 1 1 A 6 6 GLU H H 6 8.220 7.751 0.469 1
1 22 . 18 1 1 A 6 6 GLU HA H 6 4.300 4.617 -0.317 1
1 27 . 18 1 1 A 7 7 GLU H H 7 8.470 8.940 -0.470 1
1 28 . 18 1 1 A 7 7 GLU HA H 7 4.440 5.180 -0.740 1
1 33 . 18 1 1 A 8 8 VAL H H 8 8.500 8.990 -0.490 1
1 34 . 18 1 1 A 8 8 VAL HA H 8 4.210 4.837 -0.627 1
1 42 . 18 1 1 A 9 9 VAL H H 9 8.360 8.840 -0.480 1
1 43 . 18 1 1 A 9 9 VAL HA H 9 4.430 4.957 -0.527 1
1 51 . 18 1 1 A 10 10 VAL H H 10 8.890 8.727 0.163 1
1 52 . 18 1 1 A 10 10 VAL HA H 10 4.980 5.426 -0.446 1
1 60 . 18 1 1 A 11 11 VAL H H 11 8.540 9.161 -0.621 1
1 61 . 18 1 1 A 11 11 VAL HA H 11 5.000 4.889 0.111 1
1 69 . 18 1 1 A 12 12 ALA H H 12 8.760 8.426 0.334 1
1 70 . 18 1 1 A 12 12 ALA HA H 12 4.580 5.014 -0.434 1
1 74 . 18 1 1 A 13 13 LYS H H 13 9.370 9.464 -0.094 1
1 75 . 18 1 1 A 13 13 LYS HA H 13 3.850 4.343 -0.493 1
1 84 . 18 1 1 A 14 14 PHE H H 14 7.140 7.878 -0.738 1
1 85 . 18 1 1 A 14 14 PHE HA H 14 4.810 5.267 -0.457 1
1 93 . 18 1 1 A 15 15 ASP H H 15 8.360 8.913 -0.553 1
1 94 . 18 1 1 A 15 15 ASP HA H 15 4.790 5.099 -0.309 1
1 97 . 18 1 1 A 16 16 TYR H H 16 8.850 8.773 0.077 1
1 98 . 18 1 1 A 16 16 TYR HA H 16 4.750 5.206 -0.456 1
1 105 . 18 1 1 A 17 17 VAL H H 17 7.190 8.399 -1.209 1
1 106 . 18 1 1 A 17 17 VAL HA H 17 4.150 4.167 -0.017 1
1 114 . 18 1 1 A 18 18 ALA H H 18 8.640 8.167 0.473 1
1 115 . 18 1 1 A 18 18 ALA HA H 18 4.230 4.720 -0.490 1
1 119 . 18 1 1 A 19 19 GLN H H 19 9.090 8.316 0.774 1
1 120 . 18 1 1 A 19 19 GLN HA H 19 4.310 3.951 0.359 1
1 127 . 18 1 1 A 20 20 GLN H H 20 7.210 8.045 -0.835 1
1 128 . 18 1 1 A 20 20 GLN HA H 20 4.590 4.432 0.158 1
1 135 . 18 1 1 A 21 21 GLU H H 21 8.980 8.897 0.083 1
1 136 . 18 1 1 A 21 21 GLU HA H 21 4.100 4.063 0.037 1
1 141 . 18 1 1 A 22 22 GLN H H 22 8.460 8.014 0.446 1
1 142 . 18 1 1 A 22 22 GLN HA H 22 4.550 4.098 0.452 1
1 149 . 18 1 1 A 23 23 GLU H H 23 7.730 8.165 -0.435 1
1 150 . 18 1 1 A 23 23 GLU HA H 23 5.330 4.521 0.809 1
1 155 . 18 1 1 A 24 24 LEU H H 24 7.910 8.654 -0.744 1
1 156 . 18 1 1 A 24 24 LEU HA H 24 4.680 5.137 -0.457 1
1 166 . 18 1 1 A 25 25 ASP H H 25 7.640 8.864 -1.224 1
1 167 . 18 1 1 A 25 25 ASP HA H 25 5.150 4.791 0.359 1
1 170 . 18 1 1 A 26 26 ILE H H 26 8.930 8.623 0.307 1
1 171 . 18 1 1 A 26 26 ILE HA H 26 5.120 5.211 -0.091 1
1 181 . 18 1 1 A 27 27 LYS H H 27 8.940 8.794 0.146 1
1 182 . 18 1 1 A 27 27 LYS HA H 27 5.090 4.935 0.155 1
1 191 . 18 1 1 A 28 28 LYS H H 28 8.990 8.608 0.382 1
1 192 . 18 1 1 A 28 28 LYS HA H 28 3.110 3.917 -0.807 1
1 201 . 18 1 1 A 29 29 ASN H H 29 8.690 9.339 -0.649 1
1 202 . 18 1 1 A 29 29 ASN HA H 29 4.170 4.320 -0.150 1
1 207 . 18 1 1 A 30 30 GLU H H 30 8.650 7.535 1.115 1
1 208 . 18 1 1 A 30 30 GLU HA H 30 4.170 4.671 -0.501 1
1 213 . 18 1 1 A 31 31 ARG H H 31 8.500 8.574 -0.074 1
1 214 . 18 1 1 A 31 31 ARG HA H 31 4.580 4.389 0.191 1
1 222 . 18 1 1 A 32 32 LEU H H 32 8.860 9.265 -0.405 1
1 223 . 18 1 1 A 32 32 LEU HA H 32 4.840 4.623 0.217 1
1 233 . 18 1 1 A 33 33 TRP H H 33 9.160 8.795 0.365 1
1 234 . 18 1 1 A 33 33 TRP HA H 33 5.100 5.313 -0.213 1
1 243 . 18 1 1 A 34 34 LEU H H 34 9.130 8.479 0.651 1
1 244 . 18 1 1 A 34 34 LEU HA H 34 4.330 4.437 -0.107 1
1 254 . 18 1 1 A 35 35 LEU H H 35 9.020 9.003 0.017 1
1 255 . 18 1 1 A 35 35 LEU HA H 35 4.610 4.368 0.242 1
1 265 . 18 1 1 A 36 36 ASP H H 36 7.460 7.749 -0.289 1
1 266 . 18 1 1 A 36 36 ASP HA H 36 4.760 4.929 -0.169 1
1 269 . 18 1 1 A 37 37 ASP H H 37 8.330 8.425 -0.095 1
1 270 . 18 1 1 A 37 37 ASP HA H 37 3.940 4.711 -0.771 1
1 273 . 18 1 1 A 38 38 SER H H 38 8.460 8.233 0.227 1
1 274 . 18 1 1 A 38 38 SER HA H 38 4.210 4.588 -0.378 1
1 277 . 18 1 1 A 39 39 LYS H H 39 8.450 7.706 0.744 1
1 278 . 18 1 1 A 39 39 LYS HA H 39 4.900 4.466 0.434 1
1 287 . 18 1 1 A 40 40 SER H H 40 8.350 8.745 -0.395 1
1 288 . 18 1 1 A 40 40 SER HA H 40 4.310 4.157 0.153 1
1 291 . 18 1 1 A 41 41 TRP H H 41 7.440 8.159 -0.719 1
1 292 . 18 1 1 A 41 41 TRP HA H 41 4.850 4.834 0.016 1
1 301 . 18 1 1 A 42 42 TRP H H 42 9.360 9.009 0.351 1
1 302 . 18 1 1 A 42 42 TRP HA H 42 5.440 5.118 0.322 1
1 311 . 18 1 1 A 43 43 ARG H H 43 8.810 9.037 -0.227 1
1 312 . 18 1 1 A 43 43 ARG HA H 43 4.540 4.477 0.063 1
1 320 . 18 1 1 A 44 44 VAL H H 44 9.210 8.548 0.662 1
1 321 . 18 1 1 A 44 44 VAL HA H 44 5.510 5.228 0.282 1
1 329 . 18 1 1 A 45 45 ARG H H 45 9.260 9.270 -0.010 1
1 330 . 18 1 1 A 45 45 ARG HA H 45 5.510 5.335 0.175 1
1 338 . 18 1 1 A 46 46 ASN H H 46 8.820 9.017 -0.197 1
1 339 . 18 1 1 A 46 46 ASN HA H 46 5.470 5.355 0.115 1
1 344 . 18 1 1 A 47 47 SER H H 47 9.730 9.017 0.713 1
1 345 . 18 1 1 A 47 47 SER HA H 47 4.320 4.511 -0.191 1
1 348 . 18 1 1 A 48 48 MET H H 48 7.650 8.018 -0.368 1
1 349 . 18 1 1 A 48 48 MET HA H 48 4.720 4.603 0.117 1
1 357 . 18 1 1 A 49 49 ASN H H 49 8.430 8.377 0.053 1
1 358 . 18 1 1 A 49 49 ASN HA H 49 4.200 4.506 -0.306 1
1 363 . 18 1 1 A 50 50 LYS H H 50 8.090 7.795 0.295 1
1 364 . 18 1 1 A 50 50 LYS HA H 50 4.560 4.293 0.267 1
1 373 . 18 1 1 A 51 51 THR H H 51 8.310 8.749 -0.439 1
1 374 . 18 1 1 A 51 51 THR HA H 51 5.730 5.261 0.469 1
1 379 . 18 1 1 A 52 52 GLY H H 52 8.630 8.529 0.101 1
1 380 . 18 1 1 A 52 52 GLY HA2 H 52 4.090 4.379 -0.289 1
1 381 . 18 1 1 A 52 52 GLY HA3 H 52 3.920 4.443 -0.523 1
1 382 . 18 1 1 A 53 53 PHE H H 53 9.020 8.855 0.165 1
1 383 . 18 1 1 A 53 53 PHE HA H 53 5.860 5.031 0.829 1
1 391 . 18 1 1 A 54 54 VAL H H 54 9.150 8.978 0.172 1
1 399 . 18 1 1 A 55 55 PRO HA H 55 3.230 4.353 -1.123 1
1 406 . 18 1 1 A 56 56 SER H H 56 7.790 8.090 -0.300 1
1 407 . 18 1 1 A 57 57 ASN HA H 57 4.480 4.573 -0.093 1
1 412 . 18 1 1 A 58 58 TYR H H 58 7.950 7.924 0.026 1
1 413 . 18 1 1 A 58 58 TYR HA H 58 4.460 4.698 -0.238 1
1 420 . 18 1 1 A 59 59 VAL H H 59 7.300 7.556 -0.256 1
1 421 . 18 1 1 A 59 59 VAL HA H 59 5.080 5.226 -0.146 1
1 429 . 18 1 1 A 60 60 GLU H H 60 8.670 8.444 0.226 1
1 430 . 18 1 1 A 60 60 GLU HA H 60 4.780 4.932 -0.152 1
1 435 . 18 1 1 A 61 61 ARG H H 61 9.080 8.704 0.376 1
1 436 . 18 1 1 A 61 61 ARG HA H 61 4.540 4.501 0.039 1
1 444 . 18 1 1 A 62 62 LYS H H 62 8.540 9.005 -0.465 1
1 445 . 18 1 1 A 62 62 LYS HA H 62 4.370 4.510 -0.140 1
1 454 . 18 1 1 A 63 63 ASN H H 63 8.660 8.724 -0.064 1
1 455 . 18 1 1 A 63 63 ASN HA H 63 4.760 5.380 -0.620 1
1 460 . 18 1 1 A 64 64 SER H H 64 8.380 8.063 0.317 1
1 461 . 18 1 1 A 64 64 SER HA H 64 4.420 4.088 0.332 1
1 464 . 18 1 1 A 65 65 ALA H H 65 8.380 7.757 0.623 1
1 465 . 18 1 1 A 65 65 ALA HA H 65 4.310 4.582 -0.272 1
1 469 . 18 1 1 A 66 66 ARG H H 66 8.240 8.594 -0.354 1
1 470 . 18 1 1 A 66 66 ARG HA H 66 4.290 4.299 -0.009 1
1 477 . 18 1 1 A 67 67 ALA H H 67 8.290 8.845 -0.555 1
1 478 . 18 1 1 A 67 67 ALA HA H 67 4.290 4.207 0.083 1
1 482 . 18 1 1 A 68 68 ALA H H 68 8.270 7.714 0.556 1
1 483 . 18 1 1 A 68 68 ALA HA H 68 4.290 4.510 -0.220 1
1 487 . 18 1 1 A 69 69 ALA H H 69 8.240 7.349 0.891 1
1 488 . 18 1 1 A 69 69 ALA HA H 69 4.320 4.215 0.105 1
1 492 . 18 1 1 A 70 70 ASN H H 70 8.390 8.644 -0.254 1
1 493 . 18 1 1 A 70 70 ASN HA H 70 4.750 5.261 -0.511 1
1 496 . 18 1 1 A 71 71 SER H H 71 8.250 8.752 -0.502 1
1 497 . 18 1 1 A 71 71 SER HA H 71 4.520 4.573 -0.053 1
1 1 . 19 1 1 A 2 2 SER HA H 2 4.600 4.268 0.332 1
1 4 . 19 1 1 A 3 3 THR H H 3 8.340 7.514 0.826 1
1 5 . 19 1 1 A 3 3 THR HA H 3 4.380 4.132 0.248 1
1 10 . 19 1 1 A 4 4 MET H H 4 8.430 8.803 -0.373 1
1 11 . 19 1 1 A 4 4 MET HA H 4 4.460 4.575 -0.115 1
1 16 . 19 1 1 A 5 5 ALA H H 5 8.340 7.776 0.564 1
1 17 . 19 1 1 A 5 5 ALA HA H 5 4.300 4.172 0.128 1
1 21 . 19 1 1 A 6 6 GLU H H 6 8.220 9.031 -0.811 1
1 22 . 19 1 1 A 6 6 GLU HA H 6 4.300 3.960 0.340 1
1 27 . 19 1 1 A 7 7 GLU H H 7 8.470 8.510 -0.040 1
1 28 . 19 1 1 A 7 7 GLU HA H 7 4.440 4.554 -0.114 1
1 33 . 19 1 1 A 8 8 VAL H H 8 8.500 8.627 -0.127 1
1 34 . 19 1 1 A 8 8 VAL HA H 8 4.210 4.804 -0.594 1
1 42 . 19 1 1 A 9 9 VAL H H 9 8.360 8.879 -0.519 1
1 43 . 19 1 1 A 9 9 VAL HA H 9 4.430 4.995 -0.565 1
1 51 . 19 1 1 A 10 10 VAL H H 10 8.890 8.847 0.043 1
1 52 . 19 1 1 A 10 10 VAL HA H 10 4.980 5.443 -0.463 1
1 60 . 19 1 1 A 11 11 VAL H H 11 8.540 9.282 -0.742 1
1 61 . 19 1 1 A 11 11 VAL HA H 11 5.000 4.912 0.088 1
1 69 . 19 1 1 A 12 12 ALA H H 12 8.760 8.563 0.197 1
1 70 . 19 1 1 A 12 12 ALA HA H 12 4.580 4.777 -0.197 1
1 74 . 19 1 1 A 13 13 LYS H H 13 9.370 8.805 0.565 1
1 75 . 19 1 1 A 13 13 LYS HA H 13 3.850 4.039 -0.189 1
1 84 . 19 1 1 A 14 14 PHE H H 14 7.140 7.584 -0.444 1
1 85 . 19 1 1 A 14 14 PHE HA H 14 4.810 5.072 -0.262 1
1 93 . 19 1 1 A 15 15 ASP H H 15 8.360 9.134 -0.774 1
1 94 . 19 1 1 A 15 15 ASP HA H 15 4.790 5.772 -0.982 1
1 97 . 19 1 1 A 16 16 TYR H H 16 8.850 8.942 -0.092 1
1 98 . 19 1 1 A 16 16 TYR HA H 16 4.750 5.233 -0.483 1
1 105 . 19 1 1 A 17 17 VAL H H 17 7.190 8.345 -1.155 1
1 106 . 19 1 1 A 17 17 VAL HA H 17 4.150 4.216 -0.066 1
1 114 . 19 1 1 A 18 18 ALA H H 18 8.640 8.284 0.356 1
1 115 . 19 1 1 A 18 18 ALA HA H 18 4.230 4.725 -0.495 1
1 119 . 19 1 1 A 19 19 GLN H H 19 9.090 8.125 0.965 1
1 120 . 19 1 1 A 19 19 GLN HA H 19 4.310 3.968 0.342 1
1 127 . 19 1 1 A 20 20 GLN H H 20 7.210 8.083 -0.873 1
1 128 . 19 1 1 A 20 20 GLN HA H 20 4.590 4.370 0.220 1
1 135 . 19 1 1 A 21 21 GLU H H 21 8.980 8.889 0.091 1
1 136 . 19 1 1 A 21 21 GLU HA H 21 4.100 4.068 0.032 1
1 141 . 19 1 1 A 22 22 GLN H H 22 8.460 7.867 0.593 1
1 142 . 19 1 1 A 22 22 GLN HA H 22 4.550 4.191 0.359 1
1 149 . 19 1 1 A 23 23 GLU H H 23 7.730 8.119 -0.389 1
1 150 . 19 1 1 A 23 23 GLU HA H 23 5.330 5.034 0.296 1
1 155 . 19 1 1 A 24 24 LEU H H 24 7.910 8.775 -0.865 1
1 156 . 19 1 1 A 24 24 LEU HA H 24 4.680 5.181 -0.501 1
1 166 . 19 1 1 A 25 25 ASP H H 25 7.640 8.852 -1.212 1
1 167 . 19 1 1 A 25 25 ASP HA H 25 5.150 4.752 0.398 1
1 170 . 19 1 1 A 26 26 ILE H H 26 8.930 8.719 0.211 1
1 171 . 19 1 1 A 26 26 ILE HA H 26 5.120 5.254 -0.134 1
1 181 . 19 1 1 A 27 27 LYS H H 27 8.940 8.742 0.198 1
1 182 . 19 1 1 A 27 27 LYS HA H 27 5.090 4.802 0.288 1
1 191 . 19 1 1 A 28 28 LYS H H 28 8.990 8.622 0.368 1
1 192 . 19 1 1 A 28 28 LYS HA H 28 3.110 3.956 -0.846 1
1 201 . 19 1 1 A 29 29 ASN H H 29 8.690 9.157 -0.467 1
1 202 . 19 1 1 A 29 29 ASN HA H 29 4.170 4.235 -0.065 1
1 207 . 19 1 1 A 30 30 GLU H H 30 8.650 7.590 1.060 1
1 208 . 19 1 1 A 30 30 GLU HA H 30 4.170 4.733 -0.563 1
1 213 . 19 1 1 A 31 31 ARG H H 31 8.500 8.722 -0.222 1
1 214 . 19 1 1 A 31 31 ARG HA H 31 4.580 4.754 -0.174 1
1 222 . 19 1 1 A 32 32 LEU H H 32 8.860 9.447 -0.587 1
1 223 . 19 1 1 A 32 32 LEU HA H 32 4.840 4.585 0.255 1
1 233 . 19 1 1 A 33 33 TRP H H 33 9.160 8.565 0.595 1
1 234 . 19 1 1 A 33 33 TRP HA H 33 5.100 5.159 -0.059 1
1 243 . 19 1 1 A 34 34 LEU H H 34 9.130 8.314 0.816 1
1 244 . 19 1 1 A 34 34 LEU HA H 34 4.330 4.370 -0.040 1
1 254 . 19 1 1 A 35 35 LEU H H 35 9.020 8.919 0.101 1
1 255 . 19 1 1 A 35 35 LEU HA H 35 4.610 4.517 0.093 1
1 265 . 19 1 1 A 36 36 ASP H H 36 7.460 7.502 -0.042 1
1 266 . 19 1 1 A 36 36 ASP HA H 36 4.760 4.868 -0.108 1
1 269 . 19 1 1 A 37 37 ASP H H 37 8.330 8.542 -0.212 1
1 270 . 19 1 1 A 37 37 ASP HA H 37 3.940 4.526 -0.586 1
1 273 . 19 1 1 A 38 38 SER H H 38 8.460 8.421 0.039 1
1 274 . 19 1 1 A 38 38 SER HA H 38 4.210 4.616 -0.406 1
1 277 . 19 1 1 A 39 39 LYS H H 39 8.450 7.594 0.856 1
1 278 . 19 1 1 A 39 39 LYS HA H 39 4.900 4.471 0.429 1
1 287 . 19 1 1 A 40 40 SER H H 40 8.350 8.934 -0.584 1
1 288 . 19 1 1 A 40 40 SER HA H 40 4.310 4.237 0.073 1
1 291 . 19 1 1 A 41 41 TRP H H 41 7.440 8.222 -0.782 1
1 292 . 19 1 1 A 41 41 TRP HA H 41 4.850 4.869 -0.019 1
1 301 . 19 1 1 A 42 42 TRP H H 42 9.360 8.992 0.368 1
1 302 . 19 1 1 A 42 42 TRP HA H 42 5.440 4.976 0.464 1
1 311 . 19 1 1 A 43 43 ARG H H 43 8.810 9.016 -0.206 1
1 312 . 19 1 1 A 43 43 ARG HA H 43 4.540 4.421 0.119 1
1 320 . 19 1 1 A 44 44 VAL H H 44 9.210 8.472 0.738 1
1 321 . 19 1 1 A 44 44 VAL HA H 44 5.510 5.068 0.442 1
1 329 . 19 1 1 A 45 45 ARG H H 45 9.260 9.247 0.013 1
1 330 . 19 1 1 A 45 45 ARG HA H 45 5.510 5.273 0.237 1
1 338 . 19 1 1 A 46 46 ASN H H 46 8.820 8.929 -0.109 1
1 339 . 19 1 1 A 46 46 ASN HA H 46 5.470 5.405 0.065 1
1 344 . 19 1 1 A 47 47 SER H H 47 9.730 9.062 0.668 1
1 345 . 19 1 1 A 47 47 SER HA H 47 4.320 4.429 -0.109 1
1 348 . 19 1 1 A 48 48 MET H H 48 7.650 8.022 -0.372 1
1 349 . 19 1 1 A 48 48 MET HA H 48 4.720 4.580 0.140 1
1 357 . 19 1 1 A 49 49 ASN H H 49 8.430 8.231 0.199 1
1 358 . 19 1 1 A 49 49 ASN HA H 49 4.200 4.450 -0.250 1
1 363 . 19 1 1 A 50 50 LYS H H 50 8.090 7.795 0.295 1
1 364 . 19 1 1 A 50 50 LYS HA H 50 4.560 4.288 0.272 1
1 373 . 19 1 1 A 51 51 THR H H 51 8.310 8.643 -0.333 1
1 374 . 19 1 1 A 51 51 THR HA H 51 5.730 5.130 0.600 1
1 379 . 19 1 1 A 52 52 GLY H H 52 8.630 8.475 0.155 1
1 380 . 19 1 1 A 52 52 GLY HA2 H 52 4.090 4.397 -0.307 1
1 381 . 19 1 1 A 52 52 GLY HA3 H 52 3.920 4.447 -0.527 1
1 382 . 19 1 1 A 53 53 PHE H H 53 9.020 8.904 0.116 1
1 383 . 19 1 1 A 53 53 PHE HA H 53 5.860 5.095 0.765 1
1 391 . 19 1 1 A 54 54 VAL H H 54 9.150 8.896 0.254 1
1 399 . 19 1 1 A 55 55 PRO HA H 55 3.230 4.295 -1.065 1
1 406 . 19 1 1 A 56 56 SER H H 56 7.790 8.034 -0.244 1
1 407 . 19 1 1 A 57 57 ASN HA H 57 4.480 4.539 -0.059 1
1 412 . 19 1 1 A 58 58 TYR H H 58 7.950 8.072 -0.122 1
1 413 . 19 1 1 A 58 58 TYR HA H 58 4.460 4.720 -0.260 1
1 420 . 19 1 1 A 59 59 VAL H H 59 7.300 7.398 -0.098 1
1 421 . 19 1 1 A 59 59 VAL HA H 59 5.080 4.985 0.095 1
1 429 . 19 1 1 A 60 60 GLU H H 60 8.670 8.700 -0.030 1
1 430 . 19 1 1 A 60 60 GLU HA H 60 4.780 4.757 0.023 1
1 435 . 19 1 1 A 61 61 ARG H H 61 9.080 8.662 0.418 1
1 436 . 19 1 1 A 61 61 ARG HA H 61 4.540 4.652 -0.112 1
1 444 . 19 1 1 A 62 62 LYS H H 62 8.540 8.849 -0.309 1
1 445 . 19 1 1 A 62 62 LYS HA H 62 4.370 4.337 0.033 1
1 454 . 19 1 1 A 63 63 ASN H H 63 8.660 8.741 -0.081 1
1 455 . 19 1 1 A 63 63 ASN HA H 63 4.760 5.241 -0.481 1
1 460 . 19 1 1 A 64 64 SER H H 64 8.380 8.003 0.377 1
1 461 . 19 1 1 A 64 64 SER HA H 64 4.420 4.297 0.123 1
1 464 . 19 1 1 A 65 65 ALA H H 65 8.380 7.865 0.515 1
1 465 . 19 1 1 A 65 65 ALA HA H 65 4.310 4.053 0.257 1
1 469 . 19 1 1 A 66 66 ARG H H 66 8.240 7.839 0.401 1
1 470 . 19 1 1 A 66 66 ARG HA H 66 4.290 4.150 0.140 1
1 477 . 19 1 1 A 67 67 ALA H H 67 8.290 8.583 -0.293 1
1 478 . 19 1 1 A 67 67 ALA HA H 67 4.290 4.021 0.269 1
1 482 . 19 1 1 A 68 68 ALA H H 68 8.270 8.049 0.221 1
1 483 . 19 1 1 A 68 68 ALA HA H 68 4.290 4.057 0.233 1
1 487 . 19 1 1 A 69 69 ALA H H 69 8.240 7.627 0.613 1
1 488 . 19 1 1 A 69 69 ALA HA H 69 4.320 4.166 0.154 1
1 492 . 19 1 1 A 70 70 ASN H H 70 8.390 9.034 -0.644 1
1 493 . 19 1 1 A 70 70 ASN HA H 70 4.750 4.324 0.426 1
1 496 . 19 1 1 A 71 71 SER H H 71 8.250 8.127 0.123 1
1 497 . 19 1 1 A 71 71 SER HA H 71 4.520 4.815 -0.295 1
1 1 . 20 1 1 A 2 2 SER HA H 2 4.600 4.773 -0.173 1
1 4 . 20 1 1 A 3 3 THR H H 3 8.340 8.549 -0.209 1
1 5 . 20 1 1 A 3 3 THR HA H 3 4.380 4.125 0.255 1
1 10 . 20 1 1 A 4 4 MET H H 4 8.430 8.826 -0.396 1
1 11 . 20 1 1 A 4 4 MET HA H 4 4.460 4.613 -0.153 1
1 16 . 20 1 1 A 5 5 ALA H H 5 8.340 7.937 0.403 1
1 17 . 20 1 1 A 5 5 ALA HA H 5 4.300 4.277 0.023 1
1 21 . 20 1 1 A 6 6 GLU H H 6 8.220 9.063 -0.843 1
1 22 . 20 1 1 A 6 6 GLU HA H 6 4.300 3.938 0.362 1
1 27 . 20 1 1 A 7 7 GLU H H 7 8.470 8.699 -0.229 1
1 28 . 20 1 1 A 7 7 GLU HA H 7 4.440 4.811 -0.371 1
1 33 . 20 1 1 A 8 8 VAL H H 8 8.500 8.723 -0.223 1
1 34 . 20 1 1 A 8 8 VAL HA H 8 4.210 4.845 -0.635 1
1 42 . 20 1 1 A 9 9 VAL H H 9 8.360 8.893 -0.533 1
1 43 . 20 1 1 A 9 9 VAL HA H 9 4.430 4.935 -0.505 1
1 51 . 20 1 1 A 10 10 VAL H H 10 8.890 8.685 0.205 1
1 52 . 20 1 1 A 10 10 VAL HA H 10 4.980 5.397 -0.417 1
1 60 . 20 1 1 A 11 11 VAL H H 11 8.540 9.345 -0.805 1
1 61 . 20 1 1 A 11 11 VAL HA H 11 5.000 4.749 0.251 1
1 69 . 20 1 1 A 12 12 ALA H H 12 8.760 8.422 0.338 1
1 70 . 20 1 1 A 12 12 ALA HA H 12 4.580 5.160 -0.580 1
1 74 . 20 1 1 A 13 13 LYS H H 13 9.370 9.178 0.192 1
1 75 . 20 1 1 A 13 13 LYS HA H 13 3.850 4.287 -0.437 1
1 84 . 20 1 1 A 14 14 PHE H H 14 7.140 7.874 -0.734 1
1 85 . 20 1 1 A 14 14 PHE HA H 14 4.810 5.143 -0.333 1
1 93 . 20 1 1 A 15 15 ASP H H 15 8.360 8.981 -0.621 1
1 94 . 20 1 1 A 15 15 ASP HA H 15 4.790 5.688 -0.898 1
1 97 . 20 1 1 A 16 16 TYR H H 16 8.850 8.869 -0.019 1
1 98 . 20 1 1 A 16 16 TYR HA H 16 4.750 5.217 -0.467 1
1 105 . 20 1 1 A 17 17 VAL H H 17 7.190 8.344 -1.154 1
1 106 . 20 1 1 A 17 17 VAL HA H 17 4.150 4.217 -0.067 1
1 114 . 20 1 1 A 18 18 ALA H H 18 8.640 8.307 0.333 1
1 115 . 20 1 1 A 18 18 ALA HA H 18 4.230 4.736 -0.506 1
1 119 . 20 1 1 A 19 19 GLN H H 19 9.090 8.134 0.956 1
1 120 . 20 1 1 A 19 19 GLN HA H 19 4.310 3.970 0.340 1
1 127 . 20 1 1 A 20 20 GLN H H 20 7.210 8.066 -0.856 1
1 128 . 20 1 1 A 20 20 GLN HA H 20 4.590 4.394 0.196 1
1 135 . 20 1 1 A 21 21 GLU H H 21 8.980 8.895 0.085 1
1 136 . 20 1 1 A 21 21 GLU HA H 21 4.100 4.069 0.031 1
1 141 . 20 1 1 A 22 22 GLN H H 22 8.460 7.934 0.526 1
1 142 . 20 1 1 A 22 22 GLN HA H 22 4.550 4.157 0.393 1
1 149 . 20 1 1 A 23 23 GLU H H 23 7.730 7.946 -0.216 1
1 150 . 20 1 1 A 23 23 GLU HA H 23 5.330 4.971 0.359 1
1 155 . 20 1 1 A 24 24 LEU H H 24 7.910 8.313 -0.403 1
1 156 . 20 1 1 A 24 24 LEU HA H 24 4.680 5.188 -0.508 1
1 166 . 20 1 1 A 25 25 ASP H H 25 7.640 8.847 -1.207 1
1 167 . 20 1 1 A 25 25 ASP HA H 25 5.150 4.683 0.467 1
1 170 . 20 1 1 A 26 26 ILE H H 26 8.930 8.581 0.349 1
1 171 . 20 1 1 A 26 26 ILE HA H 26 5.120 5.254 -0.134 1
1 181 . 20 1 1 A 27 27 LYS H H 27 8.940 8.756 0.184 1
1 182 . 20 1 1 A 27 27 LYS HA H 27 5.090 4.794 0.296 1
1 191 . 20 1 1 A 28 28 LYS H H 28 8.990 8.585 0.405 1
1 192 . 20 1 1 A 28 28 LYS HA H 28 3.110 3.923 -0.813 1
1 201 . 20 1 1 A 29 29 ASN H H 29 8.690 8.955 -0.265 1
1 202 . 20 1 1 A 29 29 ASN HA H 29 4.170 4.262 -0.092 1
1 207 . 20 1 1 A 30 30 GLU H H 30 8.650 7.569 1.081 1
1 208 . 20 1 1 A 30 30 GLU HA H 30 4.170 4.752 -0.582 1
1 213 . 20 1 1 A 31 31 ARG H H 31 8.500 8.780 -0.280 1
1 214 . 20 1 1 A 31 31 ARG HA H 31 4.580 4.600 -0.020 1
1 222 . 20 1 1 A 32 32 LEU H H 32 8.860 8.953 -0.093 1
1 223 . 20 1 1 A 32 32 LEU HA H 32 4.840 4.575 0.265 1
1 233 . 20 1 1 A 33 33 TRP H H 33 9.160 8.619 0.541 1
1 234 . 20 1 1 A 33 33 TRP HA H 33 5.100 5.224 -0.124 1
1 243 . 20 1 1 A 34 34 LEU H H 34 9.130 8.295 0.835 1
1 244 . 20 1 1 A 34 34 LEU HA H 34 4.330 4.380 -0.050 1
1 254 . 20 1 1 A 35 35 LEU H H 35 9.020 9.107 -0.087 1
1 255 . 20 1 1 A 35 35 LEU HA H 35 4.610 4.364 0.246 1
1 265 . 20 1 1 A 36 36 ASP H H 36 7.460 7.728 -0.268 1
1 266 . 20 1 1 A 36 36 ASP HA H 36 4.760 5.001 -0.241 1
1 269 . 20 1 1 A 37 37 ASP H H 37 8.330 8.375 -0.045 1
1 270 . 20 1 1 A 37 37 ASP HA H 37 3.940 4.722 -0.782 1
1 273 . 20 1 1 A 38 38 SER H H 38 8.460 8.149 0.311 1
1 274 . 20 1 1 A 38 38 SER HA H 38 4.210 4.594 -0.384 1
1 277 . 20 1 1 A 39 39 LYS H H 39 8.450 7.641 0.809 1
1 278 . 20 1 1 A 39 39 LYS HA H 39 4.900 4.488 0.412 1
1 287 . 20 1 1 A 40 40 SER H H 40 8.350 9.000 -0.650 1
1 288 . 20 1 1 A 40 40 SER HA H 40 4.310 4.222 0.088 1
1 291 . 20 1 1 A 41 41 TRP H H 41 7.440 8.224 -0.784 1
1 292 . 20 1 1 A 41 41 TRP HA H 41 4.850 4.886 -0.036 1
1 301 . 20 1 1 A 42 42 TRP H H 42 9.360 9.349 0.011 1
1 302 . 20 1 1 A 42 42 TRP HA H 42 5.440 4.982 0.458 1
1 311 . 20 1 1 A 43 43 ARG H H 43 8.810 9.252 -0.442 1
1 312 . 20 1 1 A 43 43 ARG HA H 43 4.540 4.432 0.108 1
1 320 . 20 1 1 A 44 44 VAL H H 44 9.210 8.470 0.740 1
1 321 . 20 1 1 A 44 44 VAL HA H 44 5.510 5.203 0.307 1
1 329 . 20 1 1 A 45 45 ARG H H 45 9.260 9.282 -0.022 1
1 330 . 20 1 1 A 45 45 ARG HA H 45 5.510 5.274 0.236 1
1 338 . 20 1 1 A 46 46 ASN H H 46 8.820 9.023 -0.203 1
1 339 . 20 1 1 A 46 46 ASN HA H 46 5.470 5.422 0.048 1
1 344 . 20 1 1 A 47 47 SER H H 47 9.730 9.091 0.639 1
1 345 . 20 1 1 A 47 47 SER HA H 47 4.320 4.435 -0.115 1
1 348 . 20 1 1 A 48 48 MET H H 48 7.650 7.577 0.073 1
1 349 . 20 1 1 A 48 48 MET HA H 48 4.720 4.581 0.139 1
1 357 . 20 1 1 A 49 49 ASN H H 49 8.430 8.366 0.064 1
1 358 . 20 1 1 A 49 49 ASN HA H 49 4.200 4.451 -0.251 1
1 363 . 20 1 1 A 50 50 LYS H H 50 8.090 7.855 0.235 1
1 364 . 20 1 1 A 50 50 LYS HA H 50 4.560 4.315 0.245 1
1 373 . 20 1 1 A 51 51 THR H H 51 8.310 8.681 -0.371 1
1 374 . 20 1 1 A 51 51 THR HA H 51 5.730 5.182 0.548 1
1 379 . 20 1 1 A 52 52 GLY H H 52 8.630 8.524 0.106 1
1 380 . 20 1 1 A 52 52 GLY HA2 H 52 4.090 4.381 -0.291 1
1 381 . 20 1 1 A 52 52 GLY HA3 H 52 3.920 4.429 -0.509 1
1 382 . 20 1 1 A 53 53 PHE H H 53 9.020 8.642 0.378 1
1 383 . 20 1 1 A 53 53 PHE HA H 53 5.860 5.062 0.798 1
1 391 . 20 1 1 A 54 54 VAL H H 54 9.150 8.944 0.206 1
1 399 . 20 1 1 A 55 55 PRO HA H 55 3.230 4.313 -1.083 1
1 406 . 20 1 1 A 56 56 SER H H 56 7.790 8.076 -0.286 1
1 407 . 20 1 1 A 57 57 ASN HA H 57 4.480 4.594 -0.114 1
1 412 . 20 1 1 A 58 58 TYR H H 58 7.950 7.976 -0.026 1
1 413 . 20 1 1 A 58 58 TYR HA H 58 4.460 4.647 -0.187 1
1 420 . 20 1 1 A 59 59 VAL H H 59 7.300 7.512 -0.212 1
1 421 . 20 1 1 A 59 59 VAL HA H 59 5.080 5.274 -0.194 1
1 429 . 20 1 1 A 60 60 GLU H H 60 8.670 8.762 -0.092 1
1 430 . 20 1 1 A 60 60 GLU HA H 60 4.780 4.868 -0.088 1
1 435 . 20 1 1 A 61 61 ARG H H 61 9.080 8.657 0.423 1
1 436 . 20 1 1 A 61 61 ARG HA H 61 4.540 4.661 -0.121 1
1 444 . 20 1 1 A 62 62 LYS H H 62 8.540 8.387 0.153 1
1 445 . 20 1 1 A 62 62 LYS HA H 62 4.370 4.345 0.025 1
1 454 . 20 1 1 A 63 63 ASN H H 63 8.660 8.748 -0.088 1
1 455 . 20 1 1 A 63 63 ASN HA H 63 4.760 5.075 -0.315 1
1 460 . 20 1 1 A 64 64 SER H H 64 8.380 7.498 0.882 1
1 461 . 20 1 1 A 64 64 SER HA H 64 4.420 4.397 0.023 1
1 464 . 20 1 1 A 65 65 ALA H H 65 8.380 8.783 -0.403 1
1 465 . 20 1 1 A 65 65 ALA HA H 65 4.310 4.432 -0.122 1
1 469 . 20 1 1 A 66 66 ARG H H 66 8.240 7.429 0.811 1
1 470 . 20 1 1 A 66 66 ARG HA H 66 4.290 4.812 -0.522 1
1 477 . 20 1 1 A 67 67 ALA H H 67 8.290 8.661 -0.371 1
1 478 . 20 1 1 A 67 67 ALA HA H 67 4.290 4.181 0.109 1
1 482 . 20 1 1 A 68 68 ALA H H 68 8.270 7.779 0.491 1
1 483 . 20 1 1 A 68 68 ALA HA H 68 4.290 4.436 -0.146 1
1 487 . 20 1 1 A 69 69 ALA H H 69 8.240 7.293 0.947 1
1 488 . 20 1 1 A 69 69 ALA HA H 69 4.320 4.244 0.076 1
1 492 . 20 1 1 A 70 70 ASN H H 70 8.390 8.465 -0.075 1
1 493 . 20 1 1 A 70 70 ASN HA H 70 4.750 4.630 0.120 1
1 496 . 20 1 1 A 71 71 SER H H 71 8.250 8.619 -0.369 1
1 497 . 20 1 1 A 71 71 SER HA H 71 4.520 5.134 -0.614 1
2 5 . 1 1 1 A 2 2 SER H H 2 8.720 8.345 0.375 1
2 6 . 1 1 1 A 2 2 SER HA H 2 4.600 4.980 -0.380 1
2 9 . 1 1 1 A 2 2 SER C C 2 174.800 172.885 1.915 1
2 10 . 1 1 1 A 2 2 SER CA C 2 58.300 57.619 0.681 1
2 11 . 1 1 1 A 2 2 SER CB C 2 64.000 63.802 0.198 1
2 12 . 1 1 1 A 2 2 SER N N 2 115.900 118.570 -2.670 1
2 13 . 1 1 1 A 3 3 THR H H 3 8.340 8.468 -0.128 1
2 14 . 1 1 1 A 3 3 THR HA H 3 4.390 4.523 -0.133 1
2 16 . 1 1 1 A 3 3 THR C C 3 174.600 174.918 -0.318 1
2 17 . 1 1 1 A 3 3 THR CA C 3 62.000 63.168 -1.168 1
2 18 . 1 1 1 A 3 3 THR CB C 3 69.800 68.392 1.408 1
2 19 . 1 1 1 A 3 3 THR N N 3 116.100 122.859 -6.759 1
2 20 . 1 1 1 A 4 4 MET H H 4 8.430 8.679 -0.249 1
2 21 . 1 1 1 A 4 4 MET HA H 4 4.460 4.466 -0.006 1
2 24 . 1 1 1 A 4 4 MET C C 4 175.800 175.037 0.763 1
2 25 . 1 1 1 A 4 4 MET CA C 4 55.600 57.370 -1.770 1
2 26 . 1 1 1 A 4 4 MET CB C 4 33.000 31.766 1.234 1
2 27 . 1 1 1 A 4 4 MET N N 4 122.900 122.044 0.856 1
2 28 . 1 1 1 A 5 5 ALA H H 5 8.330 8.643 -0.313 1
2 29 . 1 1 1 A 5 5 ALA HA H 5 4.310 4.406 -0.096 1
2 33 . 1 1 1 A 5 5 ALA C C 5 177.500 176.302 1.198 1
2 34 . 1 1 1 A 5 5 ALA CA C 5 52.600 51.680 0.920 1
2 35 . 1 1 1 A 5 5 ALA CB C 5 19.200 17.580 1.620 1
2 36 . 1 1 1 A 5 5 ALA N N 5 125.600 126.224 -0.624 1
2 37 . 1 1 1 A 6 6 GLU H H 6 8.220 7.977 0.243 1
2 38 . 1 1 1 A 6 6 GLU HA H 6 4.310 4.604 -0.294 1
2 41 . 1 1 1 A 6 6 GLU C C 6 176.200 174.813 1.387 1
2 42 . 1 1 1 A 6 6 GLU CA C 6 56.100 56.558 -0.458 1
2 43 . 1 1 1 A 6 6 GLU CB C 6 30.600 30.515 0.085 1
2 44 . 1 1 1 A 6 6 GLU N N 6 119.900 122.984 -3.084 1
2 45 . 1 1 1 A 7 7 GLU H H 7 8.450 8.907 -0.457 1
2 46 . 1 1 1 A 7 7 GLU HA H 7 4.440 4.717 -0.277 1
2 49 . 1 1 1 A 7 7 GLU C C 7 176.000 174.787 1.213 1
2 50 . 1 1 1 A 7 7 GLU CA C 7 56.500 55.972 0.528 1
2 51 . 1 1 1 A 7 7 GLU CB C 7 30.700 30.466 0.234 1
2 52 . 1 1 1 A 7 7 GLU N N 7 122.400 127.686 -5.286 1
2 53 . 1 1 1 A 8 8 VAL H H 8 8.490 7.554 0.936 1
2 54 . 1 1 1 A 8 8 VAL HA H 8 4.210 4.767 -0.557 1
2 56 . 1 1 1 A 8 8 VAL C C 8 175.900 173.914 1.986 1
2 57 . 1 1 1 A 8 8 VAL CA C 8 62.200 61.163 1.037 1
2 58 . 1 1 1 A 8 8 VAL CB C 8 33.300 35.202 -1.902 1
2 59 . 1 1 1 A 8 8 VAL N N 8 123.400 120.596 2.804 1
2 60 . 1 1 1 A 9 9 VAL H H 9 8.360 9.143 -0.783 1
2 61 . 1 1 1 A 9 9 VAL HA H 9 4.430 5.031 -0.601 1
2 63 . 1 1 1 A 9 9 VAL C C 9 176.300 174.323 1.977 1
2 64 . 1 1 1 A 9 9 VAL CA C 9 61.700 59.594 2.106 1
2 65 . 1 1 1 A 9 9 VAL CB C 9 33.000 35.584 -2.584 1
2 66 . 1 1 1 A 9 9 VAL N N 9 126.800 127.460 -0.660 1
2 67 . 1 1 1 A 10 10 VAL H H 10 8.900 9.340 -0.440 1
2 68 . 1 1 1 A 10 10 VAL HA H 10 4.980 5.233 -0.253 1
2 70 . 1 1 1 A 10 10 VAL C C 10 173.400 173.701 -0.301 1
2 71 . 1 1 1 A 10 10 VAL CA C 10 58.300 59.191 -0.891 1
2 72 . 1 1 1 A 10 10 VAL CB C 10 35.100 35.420 -0.320 1
2 73 . 1 1 1 A 10 10 VAL N N 10 119.700 122.445 -2.745 1
2 74 . 1 1 1 A 11 11 VAL H H 11 8.550 9.124 -0.574 1
2 75 . 1 1 1 A 11 11 VAL HA H 11 5.000 4.856 0.144 1
2 77 . 1 1 1 A 11 11 VAL C C 11 176.700 174.726 1.974 1
2 78 . 1 1 1 A 11 11 VAL CA C 11 59.600 59.734 -0.134 1
2 79 . 1 1 1 A 11 11 VAL CB C 11 35.100 34.138 0.962 1
2 80 . 1 1 1 A 11 11 VAL N N 11 118.700 124.519 -5.819 1
2 81 . 1 1 1 A 12 12 ALA H H 12 8.770 8.996 -0.226 1
2 82 . 1 1 1 A 12 12 ALA HA H 12 4.580 5.060 -0.480 1
2 86 . 1 1 1 A 12 12 ALA C C 12 178.600 177.032 1.568 1
2 87 . 1 1 1 A 12 12 ALA CA C 12 52.800 51.187 1.613 1
2 88 . 1 1 1 A 12 12 ALA CB C 12 19.900 20.049 -0.149 1
2 89 . 1 1 1 A 12 12 ALA N N 12 128.500 129.924 -1.424 1
2 90 . 1 1 1 A 13 13 LYS H H 13 9.370 8.967 0.403 1
2 91 . 1 1 1 A 13 13 LYS HA H 13 3.850 4.306 -0.456 1
2 94 . 1 1 1 A 13 13 LYS C C 13 174.700 176.405 -1.705 1
2 95 . 1 1 1 A 13 13 LYS CA C 13 57.300 56.867 0.433 1
2 96 . 1 1 1 A 13 13 LYS CB C 13 33.800 33.686 0.114 1
2 97 . 1 1 1 A 13 13 LYS N N 13 126.700 122.238 4.462 1
2 98 . 1 1 1 A 14 14 PHE H H 14 7.140 8.010 -0.870 1
2 99 . 1 1 1 A 14 14 PHE HA H 14 4.800 5.073 -0.273 1
2 102 . 1 1 1 A 14 14 PHE C C 14 173.600 174.392 -0.792 1
2 103 . 1 1 1 A 14 14 PHE CA C 14 53.700 56.713 -3.013 1
2 104 . 1 1 1 A 14 14 PHE CB C 14 43.700 43.145 0.555 1
2 105 . 1 1 1 A 14 14 PHE N N 14 111.600 116.154 -4.554 1
2 106 . 1 1 1 A 15 15 ASP H H 15 8.360 9.039 -0.679 1
2 107 . 1 1 1 A 15 15 ASP HA H 15 4.790 5.737 -0.947 1
2 110 . 1 1 1 A 15 15 ASP C C 15 176.400 173.991 2.409 1
2 111 . 1 1 1 A 15 15 ASP CA C 15 54.700 52.566 2.134 1
2 112 . 1 1 1 A 15 15 ASP CB C 15 41.600 43.648 -2.048 1
2 113 . 1 1 1 A 15 15 ASP N N 15 117.400 118.644 -1.244 1
2 114 . 1 1 1 A 16 16 TYR H H 16 8.860 8.833 0.027 1
2 115 . 1 1 1 A 16 16 TYR HA H 16 4.750 4.949 -0.199 1
2 118 . 1 1 1 A 16 16 TYR C C 16 173.700 173.573 0.127 1
2 119 . 1 1 1 A 16 16 TYR CA C 16 59.500 57.308 2.192 1
2 120 . 1 1 1 A 16 16 TYR CB C 16 41.500 41.781 -0.281 1
2 121 . 1 1 1 A 16 16 TYR N N 16 121.000 122.259 -1.259 1
2 122 . 1 1 1 A 17 17 VAL H H 17 7.180 8.294 -1.114 1
2 123 . 1 1 1 A 17 17 VAL HA H 17 4.150 4.230 -0.080 1
2 125 . 1 1 1 A 17 17 VAL C C 17 174.500 175.189 -0.689 1
2 126 . 1 1 1 A 17 17 VAL CA C 17 60.600 60.801 -0.201 1
2 127 . 1 1 1 A 17 17 VAL CB C 17 32.300 32.450 -0.150 1
2 128 . 1 1 1 A 17 17 VAL N N 17 129.100 123.711 5.389 1
2 129 . 1 1 1 A 18 18 ALA H H 18 8.640 8.173 0.467 1
2 130 . 1 1 1 A 18 18 ALA HA H 18 4.230 4.407 -0.177 1
2 134 . 1 1 1 A 18 18 ALA C C 18 179.100 177.919 1.181 1
2 135 . 1 1 1 A 18 18 ALA CA C 18 53.300 52.266 1.034 1
2 136 . 1 1 1 A 18 18 ALA CB C 18 19.900 19.135 0.765 1
2 137 . 1 1 1 A 18 18 ALA N N 18 128.900 131.363 -2.463 1
2 138 . 1 1 1 A 19 19 GLN H H 19 9.080 8.672 0.408 1
2 139 . 1 1 1 A 19 19 GLN HA H 19 4.320 3.911 0.409 1
2 144 . 1 1 1 A 19 19 GLN C C 19 175.500 177.123 -1.623 1
2 145 . 1 1 1 A 19 19 GLN CA C 19 55.100 60.047 -4.947 1
2 146 . 1 1 1 A 19 19 GLN CB C 19 31.200 28.943 2.257 1
2 148 . 1 1 1 A 19 19 GLN N N 19 120.400 124.945 -4.545 1
2 150 . 1 1 1 A 20 20 GLN H H 20 7.220 8.118 -0.898 1
2 151 . 1 1 1 A 20 20 GLN HA H 20 4.590 4.409 0.181 1
2 156 . 1 1 1 A 20 20 GLN C C 20 176.800 177.047 -0.247 1
2 157 . 1 1 1 A 20 20 GLN CA C 20 53.900 55.301 -1.401 1
2 158 . 1 1 1 A 20 20 GLN CB C 20 32.400 29.528 2.872 1
2 159 . 1 1 1 A 20 20 GLN N N 20 114.500 117.536 -3.036 1
2 161 . 1 1 1 A 21 21 GLU H H 21 8.980 8.944 0.036 1
2 162 . 1 1 1 A 21 21 GLU HA H 21 4.090 4.075 0.015 1
2 164 . 1 1 1 A 21 21 GLU C C 21 176.900 178.930 -2.030 1
2 165 . 1 1 1 A 21 21 GLU CA C 21 59.500 58.706 0.794 1
2 166 . 1 1 1 A 21 21 GLU CB C 21 29.700 29.145 0.555 1
2 167 . 1 1 1 A 21 21 GLU N N 21 121.600 122.073 -0.473 1
2 168 . 1 1 1 A 22 22 GLN H H 22 8.470 7.954 0.516 1
2 169 . 1 1 1 A 22 22 GLN HA H 22 4.540 4.125 0.415 1
2 174 . 1 1 1 A 22 22 GLN C C 22 176.700 176.508 0.192 1
2 175 . 1 1 1 A 22 22 GLN CA C 22 56.700 58.587 -1.887 1
2 176 . 1 1 1 A 22 22 GLN CB C 22 28.000 28.560 -0.560 1
2 178 . 1 1 1 A 22 22 GLN N N 22 113.600 119.899 -6.299 1
2 180 . 1 1 1 A 23 23 GLU H H 23 7.730 7.839 -0.109 1
2 181 . 1 1 1 A 23 23 GLU HA H 23 5.340 4.611 0.729 1
2 184 . 1 1 1 A 23 23 GLU C C 23 174.700 175.632 -0.932 1
2 185 . 1 1 1 A 23 23 GLU CA C 23 55.600 56.823 -1.223 1
2 186 . 1 1 1 A 23 23 GLU CB C 23 32.400 30.761 1.639 1
2 187 . 1 1 1 A 23 23 GLU N N 23 120.200 119.151 1.049 1
2 188 . 1 1 1 A 24 24 LEU H H 24 7.900 8.820 -0.920 1
2 189 . 1 1 1 A 24 24 LEU HA H 24 4.680 5.224 -0.544 1
2 192 . 1 1 1 A 24 24 LEU C C 24 174.300 176.321 -2.021 1
2 193 . 1 1 1 A 24 24 LEU CA C 24 53.200 53.909 -0.709 1
2 194 . 1 1 1 A 24 24 LEU CB C 24 46.500 44.946 1.554 1
2 195 . 1 1 1 A 24 24 LEU N N 24 122.400 123.593 -1.193 1
2 196 . 1 1 1 A 25 25 ASP H H 25 7.640 8.798 -1.158 1
2 197 . 1 1 1 A 25 25 ASP HA H 25 5.160 4.820 0.340 1
2 200 . 1 1 1 A 25 25 ASP C C 25 176.800 176.639 0.161 1
2 201 . 1 1 1 A 25 25 ASP CA C 25 54.200 54.165 0.035 1
2 202 . 1 1 1 A 25 25 ASP CB C 25 42.300 41.174 1.126 1
2 203 . 1 1 1 A 25 25 ASP N N 25 121.400 124.242 -2.842 1
2 204 . 1 1 1 A 26 26 ILE H H 26 8.930 8.747 0.183 1
2 205 . 1 1 1 A 26 26 ILE HA H 26 5.120 5.268 -0.148 1
2 207 . 1 1 1 A 26 26 ILE C C 26 175.200 174.231 0.969 1
2 208 . 1 1 1 A 26 26 ILE CA C 26 59.700 58.888 0.812 1
2 209 . 1 1 1 A 26 26 ILE CB C 26 42.400 42.033 0.367 1
2 210 . 1 1 1 A 26 26 ILE N N 26 115.600 119.234 -3.634 1
2 211 . 1 1 1 A 27 27 LYS H H 27 8.930 8.737 0.193 1
2 212 . 1 1 1 A 27 27 LYS HA H 27 5.090 4.789 0.301 1
2 215 . 1 1 1 A 27 27 LYS C C 27 175.300 174.627 0.673 1
2 216 . 1 1 1 A 27 27 LYS CA C 27 52.900 55.095 -2.195 1
2 217 . 1 1 1 A 27 27 LYS CB C 27 35.400 36.537 -1.137 1
2 218 . 1 1 1 A 27 27 LYS N N 27 123.000 121.737 1.263 1
2 219 . 1 1 1 A 28 28 LYS H H 28 8.990 8.556 0.434 1
2 220 . 1 1 1 A 28 28 LYS HA H 28 3.110 3.886 -0.776 1
2 222 . 1 1 1 A 28 28 LYS C C 28 177.000 177.230 -0.230 1
2 223 . 1 1 1 A 28 28 LYS CA C 28 59.200 58.244 0.956 1
2 224 . 1 1 1 A 28 28 LYS CB C 28 32.600 32.047 0.553 1
2 225 . 1 1 1 A 28 28 LYS N N 28 121.200 126.476 -5.276 1
2 226 . 1 1 1 A 29 29 ASN H H 29 8.700 8.928 -0.228 1
2 227 . 1 1 1 A 29 29 ASN HA H 29 4.180 4.201 -0.021 1
2 232 . 1 1 1 A 29 29 ASN C C 29 174.200 174.381 -0.181 1
2 233 . 1 1 1 A 29 29 ASN CA C 29 55.900 54.627 1.273 1
2 234 . 1 1 1 A 29 29 ASN CB C 29 37.400 37.256 0.144 1
2 235 . 1 1 1 A 29 29 ASN N N 29 118.300 120.464 -2.164 1
2 237 . 1 1 1 A 30 30 GLU H H 30 8.660 7.495 1.165 1
2 238 . 1 1 1 A 30 30 GLU HA H 30 4.160 4.754 -0.594 1
2 241 . 1 1 1 A 30 30 GLU C C 30 175.200 175.254 -0.054 1
2 242 . 1 1 1 A 30 30 GLU CA C 30 57.700 55.244 2.456 1
2 243 . 1 1 1 A 30 30 GLU CB C 30 31.800 32.125 -0.325 1
2 244 . 1 1 1 A 30 30 GLU N N 30 124.200 118.175 6.025 1
2 245 . 1 1 1 A 31 31 ARG H H 31 8.490 8.745 -0.255 1
2 246 . 1 1 1 A 31 31 ARG HA H 31 4.580 4.500 0.080 1
2 250 . 1 1 1 A 31 31 ARG C C 31 175.000 174.536 0.464 1
2 251 . 1 1 1 A 31 31 ARG CA C 31 56.200 55.851 0.349 1
2 252 . 1 1 1 A 31 31 ARG CB C 31 30.800 30.625 0.175 1
2 253 . 1 1 1 A 31 31 ARG N N 31 125.000 126.241 -1.241 1
2 255 . 1 1 1 A 32 32 LEU H H 32 8.860 9.481 -0.621 1
2 256 . 1 1 1 A 32 32 LEU HA H 32 4.840 4.807 0.033 1
2 259 . 1 1 1 A 32 32 LEU C C 32 174.400 175.698 -1.298 1
2 260 . 1 1 1 A 32 32 LEU CA C 32 53.300 53.350 -0.050 1
2 261 . 1 1 1 A 32 32 LEU CB C 32 46.300 43.947 2.353 1
2 262 . 1 1 1 A 32 32 LEU N N 32 125.600 125.710 -0.110 1
2 263 . 1 1 1 A 33 33 TRP H H 33 9.160 8.650 0.510 1
2 264 . 1 1 1 A 33 33 TRP HA H 33 5.100 5.060 0.040 1
2 268 . 1 1 1 A 33 33 TRP C C 33 176.000 175.942 0.058 1
2 269 . 1 1 1 A 33 33 TRP CA C 33 58.300 56.816 1.484 1
2 270 . 1 1 1 A 33 33 TRP CB C 33 31.000 30.274 0.726 1
2 271 . 1 1 1 A 33 33 TRP N N 33 121.000 125.347 -4.347 1
2 273 . 1 1 1 A 34 34 LEU H H 34 9.130 8.411 0.719 1
2 274 . 1 1 1 A 34 34 LEU HA H 34 4.330 4.395 -0.065 1
2 277 . 1 1 1 A 34 34 LEU C C 34 175.400 176.040 -0.640 1
2 278 . 1 1 1 A 34 34 LEU CA C 34 55.600 55.801 -0.201 1
2 279 . 1 1 1 A 34 34 LEU CB C 34 43.700 42.358 1.342 1
2 280 . 1 1 1 A 34 34 LEU N N 34 125.100 127.090 -1.990 1
2 281 . 1 1 1 A 35 35 LEU H H 35 9.020 9.451 -0.431 1
2 282 . 1 1 1 A 35 35 LEU HA H 35 4.620 4.338 0.282 1
2 285 . 1 1 1 A 35 35 LEU C C 35 177.400 176.553 0.847 1
2 286 . 1 1 1 A 35 35 LEU CA C 35 55.400 56.279 -0.879 1
2 287 . 1 1 1 A 35 35 LEU CB C 35 42.600 42.374 0.226 1
2 288 . 1 1 1 A 35 35 LEU N N 35 126.300 128.075 -1.775 1
2 289 . 1 1 1 A 36 36 ASP H H 36 7.460 7.759 -0.299 1
2 290 . 1 1 1 A 36 36 ASP HA H 36 4.760 5.003 -0.243 1
2 293 . 1 1 1 A 36 36 ASP C C 36 175.000 175.146 -0.146 1
2 294 . 1 1 1 A 36 36 ASP CA C 36 55.200 52.823 2.377 1
2 295 . 1 1 1 A 36 36 ASP CB C 36 43.400 42.730 0.670 1
2 296 . 1 1 1 A 36 36 ASP N N 36 115.400 117.183 -1.783 1
2 297 . 1 1 1 A 37 37 ASP H H 37 8.330 8.463 -0.133 1
2 298 . 1 1 1 A 37 37 ASP HA H 37 3.940 4.794 -0.854 1
2 301 . 1 1 1 A 37 37 ASP C C 37 176.400 176.604 -0.204 1
2 302 . 1 1 1 A 37 37 ASP CA C 37 52.200 52.647 -0.447 1
2 303 . 1 1 1 A 37 37 ASP CB C 37 39.900 39.648 0.252 1
2 304 . 1 1 1 A 37 37 ASP N N 37 128.400 123.447 4.953 1
2 305 . 1 1 1 A 38 38 SER H H 38 8.470 8.553 -0.083 1
2 306 . 1 1 1 A 38 38 SER HA H 38 4.210 4.678 -0.468 1
2 309 . 1 1 1 A 38 38 SER C C 38 175.300 174.471 0.829 1
2 310 . 1 1 1 A 38 38 SER CA C 38 61.600 59.422 2.178 1
2 311 . 1 1 1 A 38 38 SER CB C 38 64.100 65.068 -0.968 1
2 312 . 1 1 1 A 38 38 SER N N 38 115.700 115.137 0.563 1
2 313 . 1 1 1 A 39 39 LYS H H 39 8.440 7.636 0.804 1
2 314 . 1 1 1 A 39 39 LYS HA H 39 4.910 4.429 0.481 1
2 317 . 1 1 1 A 39 39 LYS C C 39 175.900 177.901 -2.001 1
2 318 . 1 1 1 A 39 39 LYS CA C 39 55.000 55.956 -0.956 1
2 319 . 1 1 1 A 39 39 LYS CB C 39 34.300 33.351 0.949 1
2 320 . 1 1 1 A 39 39 LYS N N 39 122.300 120.594 1.706 1
2 321 . 1 1 1 A 40 40 SER H H 40 8.360 8.710 -0.350 1
2 322 . 1 1 1 A 40 40 SER HA H 40 4.310 4.176 0.134 1
2 325 . 1 1 1 A 40 40 SER C C 40 175.200 175.182 0.018 1
2 326 . 1 1 1 A 40 40 SER CA C 40 60.900 62.562 -1.662 1
2 327 . 1 1 1 A 40 40 SER CB C 40 63.100 63.052 0.048 1
2 328 . 1 1 1 A 40 40 SER N N 40 112.600 115.957 -3.357 1
2 329 . 1 1 1 A 41 41 TRP H H 41 7.440 8.130 -0.690 1
2 330 . 1 1 1 A 41 41 TRP HA H 41 4.840 5.085 -0.245 1
2 334 . 1 1 1 A 41 41 TRP C C 41 175.500 176.802 -1.302 1
2 335 . 1 1 1 A 41 41 TRP CA C 41 56.800 56.663 0.137 1
2 336 . 1 1 1 A 41 41 TRP CB C 41 29.600 29.974 -0.374 1
2 337 . 1 1 1 A 41 41 TRP N N 41 121.300 118.977 2.323 1
2 339 . 1 1 1 A 42 42 TRP H H 42 9.350 9.138 0.212 1
2 340 . 1 1 1 A 42 42 TRP HA H 42 5.440 5.223 0.217 1
2 344 . 1 1 1 A 42 42 TRP C C 42 175.000 176.096 -1.096 1
2 345 . 1 1 1 A 42 42 TRP CA C 42 54.300 57.251 -2.951 1
2 346 . 1 1 1 A 42 42 TRP CB C 42 30.800 30.226 0.574 1
2 347 . 1 1 1 A 42 42 TRP N N 42 125.400 124.814 0.586 1
2 349 . 1 1 1 A 43 43 ARG H H 43 8.810 9.411 -0.601 1
2 350 . 1 1 1 A 43 43 ARG HA H 43 4.530 4.784 -0.254 1
2 354 . 1 1 1 A 43 43 ARG C C 43 175.600 176.223 -0.623 1
2 355 . 1 1 1 A 43 43 ARG CA C 43 55.400 56.101 -0.701 1
2 356 . 1 1 1 A 43 43 ARG CB C 43 32.200 30.124 2.076 1
2 357 . 1 1 1 A 43 43 ARG N N 43 124.200 125.960 -1.760 1
2 359 . 1 1 1 A 44 44 VAL H H 44 9.210 8.881 0.329 1
2 360 . 1 1 1 A 44 44 VAL HA H 44 5.510 5.386 0.124 1
2 362 . 1 1 1 A 44 44 VAL C C 44 172.800 174.026 -1.226 1
2 363 . 1 1 1 A 44 44 VAL CA C 44 58.800 58.797 0.003 1
2 364 . 1 1 1 A 44 44 VAL CB C 44 36.600 36.103 0.497 1
2 365 . 1 1 1 A 44 44 VAL N N 44 121.400 119.613 1.787 1
2 366 . 1 1 1 A 45 45 ARG H H 45 9.260 9.232 0.028 1
2 367 . 1 1 1 A 45 45 ARG HA H 45 5.510 5.413 0.097 1
2 371 . 1 1 1 A 45 45 ARG C C 45 175.700 174.001 1.699 1
2 372 . 1 1 1 A 45 45 ARG CA C 45 53.700 53.985 -0.285 1
2 373 . 1 1 1 A 45 45 ARG CB C 45 35.400 34.165 1.235 1
2 374 . 1 1 1 A 45 45 ARG N N 45 120.000 121.443 -1.443 1
2 376 . 1 1 1 A 46 46 ASN H H 46 8.820 9.128 -0.308 1
2 377 . 1 1 1 A 46 46 ASN HA H 46 5.470 5.291 0.179 1
2 382 . 1 1 1 A 46 46 ASN C C 46 178.500 176.968 1.532 1
2 383 . 1 1 1 A 46 46 ASN CA C 46 50.600 51.534 -0.934 1
2 384 . 1 1 1 A 46 46 ASN CB C 46 41.000 41.372 -0.372 1
2 385 . 1 1 1 A 46 46 ASN N N 46 123.300 124.078 -0.778 1
2 387 . 1 1 1 A 47 47 SER H H 47 9.730 9.031 0.699 1
2 388 . 1 1 1 A 47 47 SER HA H 47 4.320 4.503 -0.183 1
2 391 . 1 1 1 A 47 47 SER C C 47 175.200 175.275 -0.075 1
2 392 . 1 1 1 A 47 47 SER CA C 47 61.500 61.621 -0.121 1
2 393 . 1 1 1 A 47 47 SER CB C 47 63.100 62.896 0.204 1
2 394 . 1 1 1 A 47 47 SER N N 47 115.000 119.456 -4.456 1
2 395 . 1 1 1 A 48 48 MET H H 48 7.650 8.043 -0.393 1
2 396 . 1 1 1 A 48 48 MET HA H 48 4.730 4.597 0.133 1
2 399 . 1 1 1 A 48 48 MET C C 48 175.800 176.178 -0.378 1
2 400 . 1 1 1 A 48 48 MET CA C 48 54.500 55.800 -1.300 1
2 401 . 1 1 1 A 48 48 MET CB C 48 31.600 33.294 -1.694 1
2 402 . 1 1 1 A 48 48 MET N N 48 120.300 119.431 0.869 1
2 403 . 1 1 1 A 49 49 ASN H H 49 8.430 8.352 0.078 1
2 404 . 1 1 1 A 49 49 ASN HA H 49 4.210 4.483 -0.273 1
2 409 . 1 1 1 A 49 49 ASN C C 49 174.200 174.261 -0.061 1
2 410 . 1 1 1 A 49 49 ASN CA C 49 54.900 54.373 0.527 1
2 411 . 1 1 1 A 49 49 ASN CB C 49 37.100 36.552 0.548 1
2 412 . 1 1 1 A 49 49 ASN N N 49 113.400 117.052 -3.652 1
2 414 . 1 1 1 A 50 50 LYS H H 50 8.090 7.902 0.188 1
2 415 . 1 1 1 A 50 50 LYS HA H 50 4.560 4.347 0.213 1
2 418 . 1 1 1 A 50 50 LYS C C 50 175.500 175.510 -0.010 1
2 419 . 1 1 1 A 50 50 LYS CA C 50 55.600 56.669 -1.069 1
2 420 . 1 1 1 A 50 50 LYS CB C 50 33.300 33.605 -0.305 1
2 421 . 1 1 1 A 50 50 LYS N N 50 121.000 120.760 0.240 1
2 422 . 1 1 1 A 51 51 THR H H 51 8.310 8.678 -0.368 1
2 423 . 1 1 1 A 51 51 THR HA H 51 5.730 5.328 0.402 1
2 425 . 1 1 1 A 51 51 THR C C 51 174.600 174.104 0.496 1
2 426 . 1 1 1 A 51 51 THR CA C 51 59.300 60.273 -0.973 1
2 427 . 1 1 1 A 51 51 THR CB C 51 71.900 72.728 -0.828 1
2 428 . 1 1 1 A 51 51 THR N N 51 113.800 115.856 -2.056 1
2 429 . 1 1 1 A 52 52 GLY H H 52 8.630 8.122 0.508 1
2 430 . 1 1 1 A 52 52 GLY HA2 H 52 4.090 4.177 -0.087 1
2 431 . 1 1 1 A 52 52 GLY HA3 H 52 3.920 4.251 -0.331 1
2 432 . 1 1 1 A 52 52 GLY C C 52 170.500 171.440 -0.940 1
2 433 . 1 1 1 A 52 52 GLY CA C 52 45.600 45.598 0.002 1
2 434 . 1 1 1 A 52 52 GLY N N 52 107.900 110.560 -2.660 1
2 435 . 1 1 1 A 53 53 PHE H H 53 9.030 8.332 0.698 1
2 436 . 1 1 1 A 53 53 PHE HA H 53 5.850 5.158 0.692 1
2 439 . 1 1 1 A 53 53 PHE C C 53 176.400 176.051 0.349 1
2 440 . 1 1 1 A 53 53 PHE CA C 53 58.000 58.242 -0.242 1
2 441 . 1 1 1 A 53 53 PHE CB C 53 42.800 40.678 2.122 1
2 442 . 1 1 1 A 53 53 PHE N N 53 118.200 119.561 -1.361 1
2 443 . 1 1 1 A 54 54 VAL H H 54 9.150 9.208 -0.058 1
2 444 . 1 1 1 A 54 54 VAL HA H 54 4.790 5.273 -0.483 1
2 445 . 1 1 1 A 54 54 VAL CA C 54 57.600 58.329 -0.729 1
2 446 . 1 1 1 A 54 54 VAL CB C 54 33.300 34.566 -1.266 1
2 447 . 1 1 1 A 54 54 VAL N N 54 112.100 117.592 -5.492 1
2 448 . 1 1 1 A 57 57 ASN HA H 57 4.480 4.500 -0.020 1
2 453 . 1 1 1 A 57 57 ASN C C 57 175.500 176.041 -0.541 1
2 454 . 1 1 1 A 57 57 ASN CA C 57 53.900 54.048 -0.148 1
2 455 . 1 1 1 A 57 57 ASN CB C 57 36.600 39.600 -3.000 1
2 457 . 1 1 1 A 58 58 TYR H H 58 7.950 7.639 0.311 1
2 458 . 1 1 1 A 58 58 TYR HA H 58 4.460 4.857 -0.397 1
2 461 . 1 1 1 A 58 58 TYR C C 58 175.200 174.969 0.231 1
2 462 . 1 1 1 A 58 58 TYR CA C 58 59.100 57.459 1.641 1
2 463 . 1 1 1 A 58 58 TYR CB C 58 38.100 38.470 -0.370 1
2 464 . 1 1 1 A 58 58 TYR N N 58 118.400 114.444 3.956 1
2 465 . 1 1 1 A 59 59 VAL H H 59 7.300 7.613 -0.313 1
2 466 . 1 1 1 A 59 59 VAL HA H 59 5.080 5.196 -0.116 1
2 468 . 1 1 1 A 59 59 VAL C C 59 173.100 174.424 -1.324 1
2 469 . 1 1 1 A 59 59 VAL CA C 59 58.700 59.324 -0.624 1
2 470 . 1 1 1 A 59 59 VAL CB C 59 35.500 36.360 -0.860 1
2 471 . 1 1 1 A 59 59 VAL N N 59 111.800 117.236 -5.436 1
2 472 . 1 1 1 A 60 60 GLU H H 60 8.680 8.412 0.268 1
2 473 . 1 1 1 A 60 60 GLU HA H 60 4.790 4.703 0.087 1
2 476 . 1 1 1 A 60 60 GLU C C 60 175.600 174.922 0.678 1
2 477 . 1 1 1 A 60 60 GLU CA C 60 54.400 55.816 -1.416 1
2 478 . 1 1 1 A 60 60 GLU CB C 60 33.300 33.489 -0.189 1
2 479 . 1 1 1 A 60 60 GLU N N 60 118.900 120.774 -1.874 1
2 480 . 1 1 1 A 61 61 ARG H H 61 9.070 8.493 0.577 1
2 481 . 1 1 1 A 61 61 ARG HA H 61 4.540 4.345 0.195 1
2 485 . 1 1 1 A 61 61 ARG C C 61 175.900 175.998 -0.098 1
2 486 . 1 1 1 A 61 61 ARG CA C 61 56.500 56.328 0.172 1
2 487 . 1 1 1 A 61 61 ARG CB C 61 31.200 30.612 0.588 1
2 488 . 1 1 1 A 61 61 ARG N N 61 125.400 123.815 1.585 1
2 490 . 1 1 1 A 62 62 LYS H H 62 8.540 8.767 -0.227 1
2 491 . 1 1 1 A 62 62 LYS HA H 62 4.370 4.649 -0.279 1
2 494 . 1 1 1 A 62 62 LYS C C 62 176.000 176.590 -0.590 1
2 495 . 1 1 1 A 62 62 LYS CA C 62 55.900 54.740 1.160 1
2 496 . 1 1 1 A 62 62 LYS CB C 62 33.200 34.624 -1.424 1
2 497 . 1 1 1 A 62 62 LYS N N 62 124.400 122.457 1.943 1
2 498 . 1 1 1 A 63 63 ASN H H 63 8.650 8.930 -0.280 1
2 499 . 1 1 1 A 63 63 ASN HA H 63 4.740 4.344 0.396 1
2 504 . 1 1 1 A 63 63 ASN C C 63 175.300 174.714 0.586 1
2 505 . 1 1 1 A 63 63 ASN CA C 63 53.300 54.562 -1.262 1
2 506 . 1 1 1 A 63 63 ASN CB C 63 39.000 37.924 1.076 1
2 507 . 1 1 1 A 63 63 ASN N N 63 121.200 118.427 2.773 1
2 509 . 1 1 1 A 64 64 SER H H 64 8.370 7.931 0.439 1
2 510 . 1 1 1 A 64 64 SER HA H 64 4.420 4.511 -0.091 1
2 513 . 1 1 1 A 64 64 SER C C 64 174.300 174.112 0.188 1
2 514 . 1 1 1 A 64 64 SER CA C 64 58.400 58.137 0.263 1
2 515 . 1 1 1 A 64 64 SER CB C 64 63.900 64.728 -0.828 1
2 516 . 1 1 1 A 64 64 SER N N 64 116.900 113.485 3.415 1
2 517 . 1 1 1 A 65 65 ALA H H 65 8.370 8.449 -0.079 1
2 518 . 1 1 1 A 65 65 ALA HA H 65 4.330 4.551 -0.221 1
2 522 . 1 1 1 A 65 65 ALA C C 65 177.800 177.397 0.403 1
2 523 . 1 1 1 A 65 65 ALA CA C 65 52.700 50.195 2.505 1
2 524 . 1 1 1 A 65 65 ALA CB C 65 19.300 21.185 -1.885 1
2 525 . 1 1 1 A 65 65 ALA N N 65 126.000 121.959 4.041 1
2 526 . 1 1 1 A 66 66 ARG H H 66 8.230 8.482 -0.252 1
2 527 . 1 1 1 A 66 66 ARG HA H 66 4.300 4.276 0.024 1
2 531 . 1 1 1 A 66 66 ARG C C 66 176.100 177.649 -1.549 1
2 532 . 1 1 1 A 66 66 ARG CA C 66 56.000 57.395 -1.395 1
2 533 . 1 1 1 A 66 66 ARG CB C 66 30.800 30.660 0.140 1
2 534 . 1 1 1 A 66 66 ARG N N 66 120.400 118.780 1.620 1
2 536 . 1 1 1 A 67 67 ALA H H 67 8.290 9.003 -0.713 1
2 537 . 1 1 1 A 67 67 ALA HA H 67 4.290 4.033 0.257 1
2 541 . 1 1 1 A 67 67 ALA C C 67 177.600 180.052 -2.452 1
2 542 . 1 1 1 A 67 67 ALA CA C 67 52.500 55.345 -2.845 1
2 543 . 1 1 1 A 67 67 ALA CB C 67 19.200 18.109 1.091 1
2 544 . 1 1 1 A 67 67 ALA N N 67 125.700 125.522 0.178 1
2 545 . 1 1 1 A 68 68 ALA H H 68 8.270 8.051 0.219 1
2 546 . 1 1 1 A 68 68 ALA HA H 68 4.290 4.086 0.204 1
2 550 . 1 1 1 A 68 68 ALA C C 68 178.600 178.683 -0.083 1
2 551 . 1 1 1 A 68 68 ALA CA C 68 52.400 55.269 -2.869 1
2 552 . 1 1 1 A 68 68 ALA CB C 68 19.200 18.590 0.610 1
2 553 . 1 1 1 A 68 68 ALA N N 68 123.100 119.347 3.753 1
2 554 . 1 1 1 A 69 69 ALA H H 69 8.260 7.703 0.557 1
2 555 . 1 1 1 A 69 69 ALA HA H 69 4.300 4.354 -0.054 1
2 559 . 1 1 1 A 69 69 ALA C C 69 177.600 176.519 1.081 1
2 560 . 1 1 1 A 69 69 ALA CA C 69 52.500 51.589 0.911 1
2 561 . 1 1 1 A 69 69 ALA CB C 69 19.200 19.744 -0.544 1
2 562 . 1 1 1 A 69 69 ALA N N 69 123.500 120.502 2.998 1
2 563 . 1 1 1 A 70 70 ASN H H 70 8.390 8.831 -0.441 1
2 564 . 1 1 1 A 70 70 ASN HA H 70 4.750 5.398 -0.648 1
2 567 . 1 1 1 A 70 70 ASN C C 70 175.200 175.184 0.016 1
2 568 . 1 1 1 A 70 70 ASN CA C 70 53.300 51.531 1.769 1
2 569 . 1 1 1 A 70 70 ASN CB C 70 39.000 39.302 -0.302 1
2 570 . 1 1 1 A 70 70 ASN N N 70 117.500 120.479 -2.979 1
2 571 . 1 1 1 A 71 71 SER H H 71 8.240 8.825 -0.585 1
2 572 . 1 1 1 A 71 71 SER HA H 71 4.520 4.068 0.452 1
2 575 . 1 1 1 A 71 71 SER C C 71 173.700 173.204 0.496 1
2 576 . 1 1 1 A 71 71 SER CA C 71 58.400 59.138 -0.738 1
2 577 . 1 1 1 A 71 71 SER CB C 71 64.200 61.678 2.522 1
2 578 . 1 1 1 A 71 71 SER N N 71 116.200 114.839 1.361 1
2 5 . 2 1 1 A 2 2 SER H H 2 8.720 8.759 -0.039 1
2 6 . 2 1 1 A 2 2 SER HA H 2 4.600 4.690 -0.090 1
2 9 . 2 1 1 A 2 2 SER C C 2 174.800 175.071 -0.271 1
2 10 . 2 1 1 A 2 2 SER CA C 2 58.300 59.536 -1.236 1
2 11 . 2 1 1 A 2 2 SER CB C 2 64.000 63.630 0.370 1
2 12 . 2 1 1 A 2 2 SER N N 2 115.900 120.341 -4.441 1
2 13 . 2 1 1 A 3 3 THR H H 3 8.340 8.377 -0.037 1
2 14 . 2 1 1 A 3 3 THR HA H 3 4.390 4.670 -0.280 1
2 16 . 2 1 1 A 3 3 THR C C 3 174.600 174.479 0.121 1
2 17 . 2 1 1 A 3 3 THR CA C 3 62.000 60.655 1.345 1
2 18 . 2 1 1 A 3 3 THR CB C 3 69.800 70.887 -1.087 1
2 19 . 2 1 1 A 3 3 THR N N 3 116.100 115.995 0.105 1
2 20 . 2 1 1 A 4 4 MET H H 4 8.430 8.669 -0.239 1
2 21 . 2 1 1 A 4 4 MET HA H 4 4.460 4.797 -0.337 1
2 24 . 2 1 1 A 4 4 MET C C 4 175.800 176.450 -0.650 1
2 25 . 2 1 1 A 4 4 MET CA C 4 55.600 54.048 1.552 1
2 26 . 2 1 1 A 4 4 MET CB C 4 33.000 32.377 0.623 1
2 27 . 2 1 1 A 4 4 MET N N 4 122.900 122.188 0.712 1
2 28 . 2 1 1 A 5 5 ALA H H 5 8.330 8.500 -0.170 1
2 29 . 2 1 1 A 5 5 ALA HA H 5 4.310 4.244 0.066 1
2 33 . 2 1 1 A 5 5 ALA C C 5 177.500 177.914 -0.414 1
2 34 . 2 1 1 A 5 5 ALA CA C 5 52.600 52.168 0.432 1
2 35 . 2 1 1 A 5 5 ALA CB C 5 19.200 19.975 -0.775 1
2 36 . 2 1 1 A 5 5 ALA N N 5 125.600 125.400 0.200 1
2 37 . 2 1 1 A 6 6 GLU H H 6 8.220 9.028 -0.808 1
2 38 . 2 1 1 A 6 6 GLU HA H 6 4.310 3.965 0.345 1
2 41 . 2 1 1 A 6 6 GLU C C 6 176.200 175.446 0.754 1
2 42 . 2 1 1 A 6 6 GLU CA C 6 56.100 57.175 -1.075 1
2 43 . 2 1 1 A 6 6 GLU CB C 6 30.600 28.296 2.304 1
2 44 . 2 1 1 A 6 6 GLU N N 6 119.900 119.292 0.608 1
2 45 . 2 1 1 A 7 7 GLU H H 7 8.450 8.737 -0.287 1
2 46 . 2 1 1 A 7 7 GLU HA H 7 4.440 4.946 -0.506 1
2 49 . 2 1 1 A 7 7 GLU C C 7 176.000 175.040 0.960 1
2 50 . 2 1 1 A 7 7 GLU CA C 7 56.500 54.984 1.516 1
2 51 . 2 1 1 A 7 7 GLU CB C 7 30.700 30.416 0.284 1
2 52 . 2 1 1 A 7 7 GLU N N 7 122.400 127.203 -4.803 1
2 53 . 2 1 1 A 8 8 VAL H H 8 8.490 8.677 -0.187 1
2 54 . 2 1 1 A 8 8 VAL HA H 8 4.210 4.820 -0.610 1
2 56 . 2 1 1 A 8 8 VAL C C 8 175.900 175.640 0.260 1
2 57 . 2 1 1 A 8 8 VAL CA C 8 62.200 61.313 0.887 1
2 58 . 2 1 1 A 8 8 VAL CB C 8 33.300 34.078 -0.778 1
2 59 . 2 1 1 A 8 8 VAL N N 8 123.400 125.415 -2.015 1
2 60 . 2 1 1 A 9 9 VAL H H 9 8.360 9.049 -0.689 1
2 61 . 2 1 1 A 9 9 VAL HA H 9 4.430 5.050 -0.620 1
2 63 . 2 1 1 A 9 9 VAL C C 9 176.300 174.837 1.463 1
2 64 . 2 1 1 A 9 9 VAL CA C 9 61.700 59.283 2.417 1
2 65 . 2 1 1 A 9 9 VAL CB C 9 33.000 34.673 -1.673 1
2 66 . 2 1 1 A 9 9 VAL N N 9 126.800 121.495 5.305 1
2 67 . 2 1 1 A 10 10 VAL H H 10 8.900 9.194 -0.294 1
2 68 . 2 1 1 A 10 10 VAL HA H 10 4.980 5.292 -0.312 1
2 70 . 2 1 1 A 10 10 VAL C C 10 173.400 173.706 -0.306 1
2 71 . 2 1 1 A 10 10 VAL CA C 10 58.300 59.403 -1.103 1
2 72 . 2 1 1 A 10 10 VAL CB C 10 35.100 35.642 -0.542 1
2 73 . 2 1 1 A 10 10 VAL N N 10 119.700 120.415 -0.715 1
2 74 . 2 1 1 A 11 11 VAL H H 11 8.550 8.855 -0.305 1
2 75 . 2 1 1 A 11 11 VAL HA H 11 5.000 4.835 0.165 1
2 77 . 2 1 1 A 11 11 VAL C C 11 176.700 175.103 1.597 1
2 78 . 2 1 1 A 11 11 VAL CA C 11 59.600 59.757 -0.157 1
2 79 . 2 1 1 A 11 11 VAL CB C 11 35.100 34.092 1.008 1
2 80 . 2 1 1 A 11 11 VAL N N 11 118.700 124.842 -6.142 1
2 81 . 2 1 1 A 12 12 ALA H H 12 8.770 8.620 0.150 1
2 82 . 2 1 1 A 12 12 ALA HA H 12 4.580 4.597 -0.017 1
2 86 . 2 1 1 A 12 12 ALA C C 12 178.600 177.078 1.522 1
2 87 . 2 1 1 A 12 12 ALA CA C 12 52.800 52.373 0.427 1
2 88 . 2 1 1 A 12 12 ALA CB C 12 19.900 19.134 0.766 1
2 89 . 2 1 1 A 12 12 ALA N N 12 128.500 130.388 -1.888 1
2 90 . 2 1 1 A 13 13 LYS H H 13 9.370 9.037 0.333 1
2 91 . 2 1 1 A 13 13 LYS HA H 13 3.850 4.256 -0.406 1
2 94 . 2 1 1 A 13 13 LYS C C 13 174.700 176.437 -1.737 1
2 95 . 2 1 1 A 13 13 LYS CA C 13 57.300 56.673 0.627 1
2 96 . 2 1 1 A 13 13 LYS CB C 13 33.800 33.746 0.054 1
2 97 . 2 1 1 A 13 13 LYS N N 13 126.700 121.645 5.055 1
2 98 . 2 1 1 A 14 14 PHE H H 14 7.140 7.917 -0.777 1
2 99 . 2 1 1 A 14 14 PHE HA H 14 4.800 5.064 -0.264 1
2 102 . 2 1 1 A 14 14 PHE C C 14 173.600 174.685 -1.085 1
2 103 . 2 1 1 A 14 14 PHE CA C 14 53.700 56.723 -3.023 1
2 104 . 2 1 1 A 14 14 PHE CB C 14 43.700 43.003 0.697 1
2 105 . 2 1 1 A 14 14 PHE N N 14 111.600 116.217 -4.617 1
2 106 . 2 1 1 A 15 15 ASP H H 15 8.360 8.950 -0.590 1
2 107 . 2 1 1 A 15 15 ASP HA H 15 4.790 5.684 -0.894 1
2 110 . 2 1 1 A 15 15 ASP C C 15 176.400 174.611 1.789 1
2 111 . 2 1 1 A 15 15 ASP CA C 15 54.700 53.131 1.569 1
2 112 . 2 1 1 A 15 15 ASP CB C 15 41.600 43.147 -1.547 1
2 113 . 2 1 1 A 15 15 ASP N N 15 117.400 119.366 -1.966 1
2 114 . 2 1 1 A 16 16 TYR H H 16 8.860 8.916 -0.056 1
2 115 . 2 1 1 A 16 16 TYR HA H 16 4.750 5.298 -0.548 1
2 118 . 2 1 1 A 16 16 TYR C C 16 173.700 173.519 0.181 1
2 119 . 2 1 1 A 16 16 TYR CA C 16 59.500 57.058 2.442 1
2 120 . 2 1 1 A 16 16 TYR CB C 16 41.500 42.316 -0.816 1
2 121 . 2 1 1 A 16 16 TYR N N 16 121.000 123.144 -2.144 1
2 122 . 2 1 1 A 17 17 VAL H H 17 7.180 8.345 -1.165 1
2 123 . 2 1 1 A 17 17 VAL HA H 17 4.150 4.213 -0.063 1
2 125 . 2 1 1 A 17 17 VAL C C 17 174.500 175.290 -0.790 1
2 126 . 2 1 1 A 17 17 VAL CA C 17 60.600 60.834 -0.234 1
2 127 . 2 1 1 A 17 17 VAL CB C 17 32.300 32.809 -0.509 1
2 128 . 2 1 1 A 17 17 VAL N N 17 129.100 123.885 5.215 1
2 129 . 2 1 1 A 18 18 ALA H H 18 8.640 8.190 0.450 1
2 130 . 2 1 1 A 18 18 ALA HA H 18 4.230 4.706 -0.476 1
2 134 . 2 1 1 A 18 18 ALA C C 18 179.100 177.656 1.444 1
2 135 . 2 1 1 A 18 18 ALA CA C 18 53.300 51.895 1.405 1
2 136 . 2 1 1 A 18 18 ALA CB C 18 19.900 18.630 1.270 1
2 137 . 2 1 1 A 18 18 ALA N N 18 128.900 131.334 -2.434 1
2 138 . 2 1 1 A 19 19 GLN H H 19 9.080 8.111 0.969 1
2 139 . 2 1 1 A 19 19 GLN HA H 19 4.320 3.923 0.397 1
2 144 . 2 1 1 A 19 19 GLN C C 19 175.500 177.002 -1.502 1
2 145 . 2 1 1 A 19 19 GLN CA C 19 55.100 59.941 -4.841 1
2 146 . 2 1 1 A 19 19 GLN CB C 19 31.200 28.911 2.289 1
2 148 . 2 1 1 A 19 19 GLN N N 19 120.400 124.965 -4.565 1
2 150 . 2 1 1 A 20 20 GLN H H 20 7.220 8.060 -0.840 1
2 151 . 2 1 1 A 20 20 GLN HA H 20 4.590 4.292 0.298 1
2 156 . 2 1 1 A 20 20 GLN C C 20 176.800 177.088 -0.288 1
2 157 . 2 1 1 A 20 20 GLN CA C 20 53.900 55.621 -1.721 1
2 158 . 2 1 1 A 20 20 GLN CB C 20 32.400 29.647 2.753 1
2 159 . 2 1 1 A 20 20 GLN N N 20 114.500 117.475 -2.975 1
2 161 . 2 1 1 A 21 21 GLU H H 21 8.980 8.886 0.094 1
2 162 . 2 1 1 A 21 21 GLU HA H 21 4.090 4.087 0.003 1
2 164 . 2 1 1 A 21 21 GLU C C 21 176.900 179.043 -2.143 1
2 165 . 2 1 1 A 21 21 GLU CA C 21 59.500 58.811 0.689 1
2 166 . 2 1 1 A 21 21 GLU CB C 21 29.700 29.104 0.596 1
2 167 . 2 1 1 A 21 21 GLU N N 21 121.600 124.203 -2.603 1
2 168 . 2 1 1 A 22 22 GLN H H 22 8.470 7.966 0.504 1
2 169 . 2 1 1 A 22 22 GLN HA H 22 4.540 4.089 0.451 1
2 174 . 2 1 1 A 22 22 GLN C C 22 176.700 176.662 0.038 1
2 175 . 2 1 1 A 22 22 GLN CA C 22 56.700 58.937 -2.237 1
2 176 . 2 1 1 A 22 22 GLN CB C 22 28.000 28.643 -0.643 1
2 178 . 2 1 1 A 22 22 GLN N N 22 113.600 119.322 -5.722 1
2 180 . 2 1 1 A 23 23 GLU H H 23 7.730 7.957 -0.227 1
2 181 . 2 1 1 A 23 23 GLU HA H 23 5.340 4.580 0.760 1
2 184 . 2 1 1 A 23 23 GLU C C 23 174.700 176.187 -1.487 1
2 185 . 2 1 1 A 23 23 GLU CA C 23 55.600 56.856 -1.256 1
2 186 . 2 1 1 A 23 23 GLU CB C 23 32.400 30.787 1.613 1
2 187 . 2 1 1 A 23 23 GLU N N 23 120.200 118.937 1.263 1
2 188 . 2 1 1 A 24 24 LEU H H 24 7.900 8.735 -0.835 1
2 189 . 2 1 1 A 24 24 LEU HA H 24 4.680 5.274 -0.594 1
2 192 . 2 1 1 A 24 24 LEU C C 24 174.300 176.158 -1.858 1
2 193 . 2 1 1 A 24 24 LEU CA C 24 53.200 53.502 -0.302 1
2 194 . 2 1 1 A 24 24 LEU CB C 24 46.500 44.890 1.610 1
2 195 . 2 1 1 A 24 24 LEU N N 24 122.400 122.934 -0.534 1
2 196 . 2 1 1 A 25 25 ASP H H 25 7.640 8.892 -1.252 1
2 197 . 2 1 1 A 25 25 ASP HA H 25 5.160 4.909 0.251 1
2 200 . 2 1 1 A 25 25 ASP C C 25 176.800 176.572 0.228 1
2 201 . 2 1 1 A 25 25 ASP CA C 25 54.200 54.134 0.066 1
2 202 . 2 1 1 A 25 25 ASP CB C 25 42.300 41.180 1.120 1
2 203 . 2 1 1 A 25 25 ASP N N 25 121.400 124.000 -2.600 1
2 204 . 2 1 1 A 26 26 ILE H H 26 8.930 8.703 0.227 1
2 205 . 2 1 1 A 26 26 ILE HA H 26 5.120 5.257 -0.137 1
2 207 . 2 1 1 A 26 26 ILE C C 26 175.200 174.178 1.022 1
2 208 . 2 1 1 A 26 26 ILE CA C 26 59.700 58.937 0.763 1
2 209 . 2 1 1 A 26 26 ILE CB C 26 42.400 42.076 0.324 1
2 210 . 2 1 1 A 26 26 ILE N N 26 115.600 119.276 -3.676 1
2 211 . 2 1 1 A 27 27 LYS H H 27 8.930 8.786 0.144 1
2 212 . 2 1 1 A 27 27 LYS HA H 27 5.090 4.807 0.283 1
2 215 . 2 1 1 A 27 27 LYS C C 27 175.300 174.657 0.643 1
2 216 . 2 1 1 A 27 27 LYS CA C 27 52.900 55.174 -2.274 1
2 217 . 2 1 1 A 27 27 LYS CB C 27 35.400 36.563 -1.163 1
2 218 . 2 1 1 A 27 27 LYS N N 27 123.000 121.740 1.260 1
2 219 . 2 1 1 A 28 28 LYS H H 28 8.990 8.590 0.400 1
2 220 . 2 1 1 A 28 28 LYS HA H 28 3.110 3.920 -0.810 1
2 222 . 2 1 1 A 28 28 LYS C C 28 177.000 177.263 -0.263 1
2 223 . 2 1 1 A 28 28 LYS CA C 28 59.200 58.278 0.922 1
2 224 . 2 1 1 A 28 28 LYS CB C 28 32.600 32.136 0.464 1
2 225 . 2 1 1 A 28 28 LYS N N 28 121.200 126.520 -5.320 1
2 226 . 2 1 1 A 29 29 ASN H H 29 8.700 8.534 0.166 1
2 227 . 2 1 1 A 29 29 ASN HA H 29 4.180 4.222 -0.042 1
2 232 . 2 1 1 A 29 29 ASN C C 29 174.200 174.295 -0.095 1
2 233 . 2 1 1 A 29 29 ASN CA C 29 55.900 54.429 1.471 1
2 234 . 2 1 1 A 29 29 ASN CB C 29 37.400 37.116 0.284 1
2 235 . 2 1 1 A 29 29 ASN N N 29 118.300 120.692 -2.392 1
2 237 . 2 1 1 A 30 30 GLU H H 30 8.660 7.519 1.141 1
2 238 . 2 1 1 A 30 30 GLU HA H 30 4.160 4.802 -0.642 1
2 241 . 2 1 1 A 30 30 GLU C C 30 175.200 175.492 -0.292 1
2 242 . 2 1 1 A 30 30 GLU CA C 30 57.700 54.932 2.768 1
2 243 . 2 1 1 A 30 30 GLU CB C 30 31.800 32.212 -0.412 1
2 244 . 2 1 1 A 30 30 GLU N N 30 124.200 117.629 6.571 1
2 245 . 2 1 1 A 31 31 ARG H H 31 8.490 8.599 -0.109 1
2 246 . 2 1 1 A 31 31 ARG HA H 31 4.580 4.286 0.294 1
2 250 . 2 1 1 A 31 31 ARG C C 31 175.000 175.695 -0.695 1
2 251 . 2 1 1 A 31 31 ARG CA C 31 56.200 56.651 -0.451 1
2 252 . 2 1 1 A 31 31 ARG CB C 31 30.800 30.919 -0.119 1
2 253 . 2 1 1 A 31 31 ARG N N 31 125.000 127.619 -2.619 1
2 255 . 2 1 1 A 32 32 LEU H H 32 8.860 8.561 0.299 1
2 256 . 2 1 1 A 32 32 LEU HA H 32 4.840 4.535 0.305 1
2 259 . 2 1 1 A 32 32 LEU C C 32 174.400 175.330 -0.930 1
2 260 . 2 1 1 A 32 32 LEU CA C 32 53.300 53.391 -0.091 1
2 261 . 2 1 1 A 32 32 LEU CB C 32 46.300 46.334 -0.034 1
2 262 . 2 1 1 A 32 32 LEU N N 32 125.600 121.491 4.109 1
2 263 . 2 1 1 A 33 33 TRP H H 33 9.160 8.637 0.523 1
2 264 . 2 1 1 A 33 33 TRP HA H 33 5.100 5.324 -0.224 1
2 268 . 2 1 1 A 33 33 TRP C C 33 176.000 175.792 0.208 1
2 269 . 2 1 1 A 33 33 TRP CA C 33 58.300 56.279 2.021 1
2 270 . 2 1 1 A 33 33 TRP CB C 33 31.000 30.755 0.245 1
2 271 . 2 1 1 A 33 33 TRP N N 33 121.000 122.836 -1.836 1
2 273 . 2 1 1 A 34 34 LEU H H 34 9.130 8.472 0.658 1
2 274 . 2 1 1 A 34 34 LEU HA H 34 4.330 4.415 -0.085 1
2 277 . 2 1 1 A 34 34 LEU C C 34 175.400 176.169 -0.769 1
2 278 . 2 1 1 A 34 34 LEU CA C 34 55.600 55.866 -0.266 1
2 279 . 2 1 1 A 34 34 LEU CB C 34 43.700 42.590 1.110 1
2 280 . 2 1 1 A 34 34 LEU N N 34 125.100 126.856 -1.756 1
2 281 . 2 1 1 A 35 35 LEU H H 35 9.020 9.134 -0.114 1
2 282 . 2 1 1 A 35 35 LEU HA H 35 4.620 4.454 0.166 1
2 285 . 2 1 1 A 35 35 LEU C C 35 177.400 176.901 0.499 1
2 286 . 2 1 1 A 35 35 LEU CA C 35 55.400 55.849 -0.449 1
2 287 . 2 1 1 A 35 35 LEU CB C 35 42.600 43.308 -0.708 1
2 288 . 2 1 1 A 35 35 LEU N N 35 126.300 126.806 -0.506 1
2 289 . 2 1 1 A 36 36 ASP H H 36 7.460 7.870 -0.410 1
2 290 . 2 1 1 A 36 36 ASP HA H 36 4.760 4.883 -0.123 1
2 293 . 2 1 1 A 36 36 ASP C C 36 175.000 174.769 0.231 1
2 294 . 2 1 1 A 36 36 ASP CA C 36 55.200 53.819 1.381 1
2 295 . 2 1 1 A 36 36 ASP CB C 36 43.400 42.734 0.666 1
2 296 . 2 1 1 A 36 36 ASP N N 36 115.400 118.396 -2.996 1
2 297 . 2 1 1 A 37 37 ASP H H 37 8.330 8.414 -0.084 1
2 298 . 2 1 1 A 37 37 ASP HA H 37 3.940 4.114 -0.174 1
2 301 . 2 1 1 A 37 37 ASP C C 37 176.400 176.349 0.051 1
2 302 . 2 1 1 A 37 37 ASP CA C 37 52.200 52.110 0.090 1
2 303 . 2 1 1 A 37 37 ASP CB C 37 39.900 39.239 0.661 1
2 304 . 2 1 1 A 37 37 ASP N N 37 128.400 123.244 5.156 1
2 305 . 2 1 1 A 38 38 SER H H 38 8.470 8.176 0.294 1
2 306 . 2 1 1 A 38 38 SER HA H 38 4.210 4.630 -0.420 1
2 309 . 2 1 1 A 38 38 SER C C 38 175.300 174.530 0.770 1
2 310 . 2 1 1 A 38 38 SER CA C 38 61.600 59.650 1.950 1
2 311 . 2 1 1 A 38 38 SER CB C 38 64.100 64.533 -0.433 1
2 312 . 2 1 1 A 38 38 SER N N 38 115.700 114.708 0.992 1
2 313 . 2 1 1 A 39 39 LYS H H 39 8.440 7.597 0.843 1
2 314 . 2 1 1 A 39 39 LYS HA H 39 4.910 4.469 0.441 1
2 317 . 2 1 1 A 39 39 LYS C C 39 175.900 177.819 -1.919 1
2 318 . 2 1 1 A 39 39 LYS CA C 39 55.000 56.143 -1.143 1
2 319 . 2 1 1 A 39 39 LYS CB C 39 34.300 33.259 1.041 1
2 320 . 2 1 1 A 39 39 LYS N N 39 122.300 120.585 1.715 1
2 321 . 2 1 1 A 40 40 SER H H 40 8.360 8.937 -0.577 1
2 322 . 2 1 1 A 40 40 SER HA H 40 4.310 4.208 0.102 1
2 325 . 2 1 1 A 40 40 SER C C 40 175.200 174.390 0.810 1
2 326 . 2 1 1 A 40 40 SER CA C 40 60.900 61.949 -1.049 1
2 327 . 2 1 1 A 40 40 SER CB C 40 63.100 63.248 -0.148 1
2 328 . 2 1 1 A 40 40 SER N N 40 112.600 117.926 -5.326 1
2 329 . 2 1 1 A 41 41 TRP H H 41 7.440 8.221 -0.781 1
2 330 . 2 1 1 A 41 41 TRP HA H 41 4.840 5.015 -0.175 1
2 334 . 2 1 1 A 41 41 TRP C C 41 175.500 176.368 -0.868 1
2 335 . 2 1 1 A 41 41 TRP CA C 41 56.800 56.191 0.609 1
2 336 . 2 1 1 A 41 41 TRP CB C 41 29.600 30.049 -0.449 1
2 337 . 2 1 1 A 41 41 TRP N N 41 121.300 118.376 2.924 1
2 339 . 2 1 1 A 42 42 TRP H H 42 9.350 9.037 0.313 1
2 340 . 2 1 1 A 42 42 TRP HA H 42 5.440 5.240 0.200 1
2 344 . 2 1 1 A 42 42 TRP C C 42 175.000 176.011 -1.011 1
2 345 . 2 1 1 A 42 42 TRP CA C 42 54.300 57.571 -3.271 1
2 346 . 2 1 1 A 42 42 TRP CB C 42 30.800 29.335 1.465 1
2 347 . 2 1 1 A 42 42 TRP N N 42 125.400 124.923 0.477 1
2 349 . 2 1 1 A 43 43 ARG H H 43 8.810 9.133 -0.323 1
2 350 . 2 1 1 A 43 43 ARG HA H 43 4.530 4.550 -0.020 1
2 354 . 2 1 1 A 43 43 ARG C C 43 175.600 176.130 -0.530 1
2 355 . 2 1 1 A 43 43 ARG CA C 43 55.400 55.931 -0.531 1
2 356 . 2 1 1 A 43 43 ARG CB C 43 32.200 30.352 1.848 1
2 357 . 2 1 1 A 43 43 ARG N N 43 124.200 126.289 -2.089 1
2 359 . 2 1 1 A 44 44 VAL H H 44 9.210 8.748 0.462 1
2 360 . 2 1 1 A 44 44 VAL HA H 44 5.510 5.193 0.317 1
2 362 . 2 1 1 A 44 44 VAL C C 44 172.800 173.701 -0.901 1
2 363 . 2 1 1 A 44 44 VAL CA C 44 58.800 58.693 0.107 1
2 364 . 2 1 1 A 44 44 VAL CB C 44 36.600 35.996 0.604 1
2 365 . 2 1 1 A 44 44 VAL N N 44 121.400 119.376 2.024 1
2 366 . 2 1 1 A 45 45 ARG H H 45 9.260 9.216 0.044 1
2 367 . 2 1 1 A 45 45 ARG HA H 45 5.510 5.332 0.178 1
2 371 . 2 1 1 A 45 45 ARG C C 45 175.700 174.038 1.662 1
2 372 . 2 1 1 A 45 45 ARG CA C 45 53.700 53.839 -0.139 1
2 373 . 2 1 1 A 45 45 ARG CB C 45 35.400 33.824 1.576 1
2 374 . 2 1 1 A 45 45 ARG N N 45 120.000 121.736 -1.736 1
2 376 . 2 1 1 A 46 46 ASN H H 46 8.820 8.976 -0.156 1
2 377 . 2 1 1 A 46 46 ASN HA H 46 5.470 5.416 0.054 1
2 382 . 2 1 1 A 46 46 ASN C C 46 178.500 176.909 1.591 1
2 383 . 2 1 1 A 46 46 ASN CA C 46 50.600 51.709 -1.109 1
2 384 . 2 1 1 A 46 46 ASN CB C 46 41.000 41.486 -0.486 1
2 385 . 2 1 1 A 46 46 ASN N N 46 123.300 124.034 -0.734 1
2 387 . 2 1 1 A 47 47 SER H H 47 9.730 9.076 0.654 1
2 388 . 2 1 1 A 47 47 SER HA H 47 4.320 4.364 -0.044 1
2 391 . 2 1 1 A 47 47 SER C C 47 175.200 175.444 -0.244 1
2 392 . 2 1 1 A 47 47 SER CA C 47 61.500 61.640 -0.140 1
2 393 . 2 1 1 A 47 47 SER CB C 47 63.100 62.858 0.242 1
2 394 . 2 1 1 A 47 47 SER N N 47 115.000 119.251 -4.251 1
2 395 . 2 1 1 A 48 48 MET H H 48 7.650 8.004 -0.354 1
2 396 . 2 1 1 A 48 48 MET HA H 48 4.730 4.586 0.144 1
2 399 . 2 1 1 A 48 48 MET C C 48 175.800 176.189 -0.389 1
2 400 . 2 1 1 A 48 48 MET CA C 48 54.500 55.771 -1.271 1
2 401 . 2 1 1 A 48 48 MET CB C 48 31.600 33.268 -1.668 1
2 402 . 2 1 1 A 48 48 MET N N 48 120.300 119.487 0.813 1
2 403 . 2 1 1 A 49 49 ASN H H 49 8.430 8.274 0.156 1
2 404 . 2 1 1 A 49 49 ASN HA H 49 4.210 4.461 -0.251 1
2 409 . 2 1 1 A 49 49 ASN C C 49 174.200 174.240 -0.040 1
2 410 . 2 1 1 A 49 49 ASN CA C 49 54.900 54.343 0.557 1
2 411 . 2 1 1 A 49 49 ASN CB C 49 37.100 36.531 0.569 1
2 412 . 2 1 1 A 49 49 ASN N N 49 113.400 116.995 -3.595 1
2 414 . 2 1 1 A 50 50 LYS H H 50 8.090 7.858 0.232 1
2 415 . 2 1 1 A 50 50 LYS HA H 50 4.560 4.360 0.200 1
2 418 . 2 1 1 A 50 50 LYS C C 50 175.500 175.431 0.069 1
2 419 . 2 1 1 A 50 50 LYS CA C 50 55.600 56.312 -0.712 1
2 420 . 2 1 1 A 50 50 LYS CB C 50 33.300 34.130 -0.830 1
2 421 . 2 1 1 A 50 50 LYS N N 50 121.000 120.748 0.252 1
2 422 . 2 1 1 A 51 51 THR H H 51 8.310 8.677 -0.367 1
2 423 . 2 1 1 A 51 51 THR HA H 51 5.730 5.137 0.593 1
2 425 . 2 1 1 A 51 51 THR C C 51 174.600 173.989 0.611 1
2 426 . 2 1 1 A 51 51 THR CA C 51 59.300 60.366 -1.066 1
2 427 . 2 1 1 A 51 51 THR CB C 51 71.900 72.345 -0.445 1
2 428 . 2 1 1 A 51 51 THR N N 51 113.800 115.128 -1.328 1
2 429 . 2 1 1 A 52 52 GLY H H 52 8.630 8.161 0.469 1
2 430 . 2 1 1 A 52 52 GLY HA2 H 52 4.090 4.216 -0.126 1
2 431 . 2 1 1 A 52 52 GLY HA3 H 52 3.920 4.278 -0.358 1
2 432 . 2 1 1 A 52 52 GLY C C 52 170.500 171.704 -1.204 1
2 433 . 2 1 1 A 52 52 GLY CA C 52 45.600 45.319 0.281 1
2 434 . 2 1 1 A 52 52 GLY N N 52 107.900 111.124 -3.224 1
2 435 . 2 1 1 A 53 53 PHE H H 53 9.030 8.857 0.173 1
2 436 . 2 1 1 A 53 53 PHE HA H 53 5.850 5.093 0.757 1
2 439 . 2 1 1 A 53 53 PHE C C 53 176.400 175.904 0.496 1
2 440 . 2 1 1 A 53 53 PHE CA C 53 58.000 58.198 -0.198 1
2 441 . 2 1 1 A 53 53 PHE CB C 53 42.800 40.712 2.088 1
2 442 . 2 1 1 A 53 53 PHE N N 53 118.200 119.516 -1.316 1
2 443 . 2 1 1 A 54 54 VAL H H 54 9.150 8.998 0.152 1
2 444 . 2 1 1 A 54 54 VAL HA H 54 4.790 5.047 -0.257 1
2 445 . 2 1 1 A 54 54 VAL CA C 54 57.600 58.383 -0.783 1
2 446 . 2 1 1 A 54 54 VAL CB C 54 33.300 34.899 -1.599 1
2 447 . 2 1 1 A 54 54 VAL N N 54 112.100 117.630 -5.530 1
2 448 . 2 1 1 A 57 57 ASN HA H 57 4.480 4.457 0.023 1
2 453 . 2 1 1 A 57 57 ASN C C 57 175.500 176.442 -0.942 1
2 454 . 2 1 1 A 57 57 ASN CA C 57 53.900 55.517 -1.617 1
2 455 . 2 1 1 A 57 57 ASN CB C 57 36.600 38.601 -2.001 1
2 457 . 2 1 1 A 58 58 TYR H H 58 7.950 8.016 -0.066 1
2 458 . 2 1 1 A 58 58 TYR HA H 58 4.460 4.665 -0.205 1
2 461 . 2 1 1 A 58 58 TYR C C 58 175.200 175.858 -0.658 1
2 462 . 2 1 1 A 58 58 TYR CA C 58 59.100 58.891 0.209 1
2 463 . 2 1 1 A 58 58 TYR CB C 58 38.100 40.180 -2.080 1
2 464 . 2 1 1 A 58 58 TYR N N 58 118.400 116.865 1.535 1
2 465 . 2 1 1 A 59 59 VAL H H 59 7.300 6.969 0.331 1
2 466 . 2 1 1 A 59 59 VAL HA H 59 5.080 4.881 0.199 1
2 468 . 2 1 1 A 59 59 VAL C C 59 173.100 174.411 -1.311 1
2 469 . 2 1 1 A 59 59 VAL CA C 59 58.700 59.659 -0.959 1
2 470 . 2 1 1 A 59 59 VAL CB C 59 35.500 35.124 0.376 1
2 471 . 2 1 1 A 59 59 VAL N N 59 111.800 114.543 -2.743 1
2 472 . 2 1 1 A 60 60 GLU H H 60 8.680 8.768 -0.088 1
2 473 . 2 1 1 A 60 60 GLU HA H 60 4.790 4.753 0.037 1
2 476 . 2 1 1 A 60 60 GLU C C 60 175.600 175.019 0.581 1
2 477 . 2 1 1 A 60 60 GLU CA C 60 54.400 55.858 -1.458 1
2 478 . 2 1 1 A 60 60 GLU CB C 60 33.300 33.330 -0.030 1
2 479 . 2 1 1 A 60 60 GLU N N 60 118.900 120.956 -2.056 1
2 480 . 2 1 1 A 61 61 ARG H H 61 9.070 8.690 0.380 1
2 481 . 2 1 1 A 61 61 ARG HA H 61 4.540 4.496 0.044 1
2 485 . 2 1 1 A 61 61 ARG C C 61 175.900 175.906 -0.006 1
2 486 . 2 1 1 A 61 61 ARG CA C 61 56.500 56.278 0.222 1
2 487 . 2 1 1 A 61 61 ARG CB C 61 31.200 30.580 0.620 1
2 488 . 2 1 1 A 61 61 ARG N N 61 125.400 124.318 1.082 1
2 490 . 2 1 1 A 62 62 LYS H H 62 8.540 8.731 -0.191 1
2 491 . 2 1 1 A 62 62 LYS HA H 62 4.370 4.249 0.121 1
2 494 . 2 1 1 A 62 62 LYS C C 62 176.000 176.069 -0.069 1
2 495 . 2 1 1 A 62 62 LYS CA C 62 55.900 57.268 -1.368 1
2 496 . 2 1 1 A 62 62 LYS CB C 62 33.200 33.540 -0.340 1
2 497 . 2 1 1 A 62 62 LYS N N 62 124.400 122.358 2.042 1
2 498 . 2 1 1 A 63 63 ASN H H 63 8.650 8.603 0.047 1
2 499 . 2 1 1 A 63 63 ASN HA H 63 4.740 5.203 -0.463 1
2 504 . 2 1 1 A 63 63 ASN C C 63 175.300 174.796 0.504 1
2 505 . 2 1 1 A 63 63 ASN CA C 63 53.300 52.431 0.869 1
2 506 . 2 1 1 A 63 63 ASN CB C 63 39.000 39.448 -0.448 1
2 507 . 2 1 1 A 63 63 ASN N N 63 121.200 119.025 2.175 1
2 509 . 2 1 1 A 64 64 SER H H 64 8.370 7.575 0.795 1
2 510 . 2 1 1 A 64 64 SER HA H 64 4.420 4.380 0.040 1
2 513 . 2 1 1 A 64 64 SER C C 64 174.300 173.287 1.013 1
2 514 . 2 1 1 A 64 64 SER CA C 64 58.400 59.491 -1.091 1
2 515 . 2 1 1 A 64 64 SER CB C 64 63.900 61.941 1.959 1
2 516 . 2 1 1 A 64 64 SER N N 64 116.900 117.052 -0.152 1
2 517 . 2 1 1 A 65 65 ALA H H 65 8.370 8.573 -0.203 1
2 518 . 2 1 1 A 65 65 ALA HA H 65 4.330 4.693 -0.363 1
2 522 . 2 1 1 A 65 65 ALA C C 65 177.800 176.815 0.985 1
2 523 . 2 1 1 A 65 65 ALA CA C 65 52.700 50.672 2.028 1
2 524 . 2 1 1 A 65 65 ALA CB C 65 19.300 19.574 -0.274 1
2 525 . 2 1 1 A 65 65 ALA N N 65 126.000 128.849 -2.849 1
2 526 . 2 1 1 A 66 66 ARG H H 66 8.230 8.766 -0.536 1
2 527 . 2 1 1 A 66 66 ARG HA H 66 4.300 4.137 0.163 1
2 531 . 2 1 1 A 66 66 ARG C C 66 176.100 176.456 -0.356 1
2 532 . 2 1 1 A 66 66 ARG CA C 66 56.000 57.185 -1.185 1
2 533 . 2 1 1 A 66 66 ARG CB C 66 30.800 29.220 1.580 1
2 534 . 2 1 1 A 66 66 ARG N N 66 120.400 122.191 -1.791 1
2 536 . 2 1 1 A 67 67 ALA H H 67 8.290 8.607 -0.317 1
2 537 . 2 1 1 A 67 67 ALA HA H 67 4.290 4.025 0.265 1
2 541 . 2 1 1 A 67 67 ALA C C 67 177.600 179.716 -2.116 1
2 542 . 2 1 1 A 67 67 ALA CA C 67 52.500 55.437 -2.937 1
2 543 . 2 1 1 A 67 67 ALA CB C 67 19.200 18.336 0.864 1
2 544 . 2 1 1 A 67 67 ALA N N 67 125.700 126.727 -1.027 1
2 545 . 2 1 1 A 68 68 ALA H H 68 8.270 8.096 0.174 1
2 546 . 2 1 1 A 68 68 ALA HA H 68 4.290 4.053 0.237 1
2 550 . 2 1 1 A 68 68 ALA C C 68 178.600 178.045 0.555 1
2 551 . 2 1 1 A 68 68 ALA CA C 68 52.400 55.362 -2.962 1
2 552 . 2 1 1 A 68 68 ALA CB C 68 19.200 18.878 0.322 1
2 553 . 2 1 1 A 68 68 ALA N N 68 123.100 119.374 3.726 1
2 554 . 2 1 1 A 69 69 ALA H H 69 8.260 7.580 0.680 1
2 555 . 2 1 1 A 69 69 ALA HA H 69 4.300 4.490 -0.190 1
2 559 . 2 1 1 A 69 69 ALA C C 69 177.600 176.336 1.264 1
2 560 . 2 1 1 A 69 69 ALA CA C 69 52.500 51.197 1.303 1
2 561 . 2 1 1 A 69 69 ALA CB C 69 19.200 18.683 0.517 1
2 562 . 2 1 1 A 69 69 ALA N N 69 123.500 120.061 3.439 1
2 563 . 2 1 1 A 70 70 ASN H H 70 8.390 8.568 -0.178 1
2 564 . 2 1 1 A 70 70 ASN HA H 70 4.750 5.085 -0.335 1
2 567 . 2 1 1 A 70 70 ASN C C 70 175.200 174.368 0.832 1
2 568 . 2 1 1 A 70 70 ASN CA C 70 53.300 52.997 0.303 1
2 569 . 2 1 1 A 70 70 ASN CB C 70 39.000 40.887 -1.887 1
2 570 . 2 1 1 A 70 70 ASN N N 70 117.500 120.562 -3.062 1
2 571 . 2 1 1 A 71 71 SER H H 71 8.240 8.937 -0.697 1
2 572 . 2 1 1 A 71 71 SER HA H 71 4.520 4.332 0.188 1
2 575 . 2 1 1 A 71 71 SER C C 71 173.700 173.044 0.656 1
2 576 . 2 1 1 A 71 71 SER CA C 71 58.400 58.808 -0.408 1
2 577 . 2 1 1 A 71 71 SER CB C 71 64.200 60.897 3.303 1
2 578 . 2 1 1 A 71 71 SER N N 71 116.200 117.869 -1.669 1
2 5 . 3 1 1 A 2 2 SER H H 2 8.720 7.945 0.775 1
2 6 . 3 1 1 A 2 2 SER HA H 2 4.600 4.158 0.442 1
2 9 . 3 1 1 A 2 2 SER C C 2 174.800 173.601 1.199 1
2 10 . 3 1 1 A 2 2 SER CA C 2 58.300 58.807 -0.507 1
2 11 . 3 1 1 A 2 2 SER CB C 2 64.000 61.663 2.337 1
2 12 . 3 1 1 A 2 2 SER N N 2 115.900 110.957 4.943 1
2 13 . 3 1 1 A 3 3 THR H H 3 8.340 7.899 0.441 1
2 14 . 3 1 1 A 3 3 THR HA H 3 4.390 4.143 0.247 1
2 16 . 3 1 1 A 3 3 THR C C 3 174.600 174.676 -0.076 1
2 17 . 3 1 1 A 3 3 THR CA C 3 62.000 64.339 -2.339 1
2 18 . 3 1 1 A 3 3 THR CB C 3 69.800 68.814 0.986 1
2 19 . 3 1 1 A 3 3 THR N N 3 116.100 115.068 1.032 1
2 20 . 3 1 1 A 4 4 MET H H 4 8.430 8.661 -0.231 1
2 21 . 3 1 1 A 4 4 MET HA H 4 4.460 4.991 -0.531 1
2 24 . 3 1 1 A 4 4 MET C C 4 175.800 174.973 0.827 1
2 25 . 3 1 1 A 4 4 MET CA C 4 55.600 53.599 2.001 1
2 26 . 3 1 1 A 4 4 MET CB C 4 33.000 36.472 -3.472 1
2 27 . 3 1 1 A 4 4 MET N N 4 122.900 126.228 -3.328 1
2 28 . 3 1 1 A 5 5 ALA H H 5 8.330 8.476 -0.146 1
2 29 . 3 1 1 A 5 5 ALA HA H 5 4.310 4.257 0.053 1
2 33 . 3 1 1 A 5 5 ALA C C 5 177.500 176.958 0.542 1
2 34 . 3 1 1 A 5 5 ALA CA C 5 52.600 52.086 0.514 1
2 35 . 3 1 1 A 5 5 ALA CB C 5 19.200 19.687 -0.487 1
2 36 . 3 1 1 A 5 5 ALA N N 5 125.600 123.522 2.078 1
2 37 . 3 1 1 A 6 6 GLU H H 6 8.220 8.608 -0.388 1
2 38 . 3 1 1 A 6 6 GLU HA H 6 4.310 4.744 -0.434 1
2 41 . 3 1 1 A 6 6 GLU C C 6 176.200 175.629 0.571 1
2 42 . 3 1 1 A 6 6 GLU CA C 6 56.100 55.424 0.676 1
2 43 . 3 1 1 A 6 6 GLU CB C 6 30.600 30.672 -0.072 1
2 44 . 3 1 1 A 6 6 GLU N N 6 119.900 118.278 1.622 1
2 45 . 3 1 1 A 7 7 GLU H H 7 8.450 8.947 -0.497 1
2 46 . 3 1 1 A 7 7 GLU HA H 7 4.440 4.730 -0.290 1
2 49 . 3 1 1 A 7 7 GLU C C 7 176.000 175.286 0.714 1
2 50 . 3 1 1 A 7 7 GLU CA C 7 56.500 54.603 1.897 1
2 51 . 3 1 1 A 7 7 GLU CB C 7 30.700 32.558 -1.858 1
2 52 . 3 1 1 A 7 7 GLU N N 7 122.400 124.911 -2.511 1
2 53 . 3 1 1 A 8 8 VAL H H 8 8.490 8.385 0.105 1
2 54 . 3 1 1 A 8 8 VAL HA H 8 4.210 4.914 -0.704 1
2 56 . 3 1 1 A 8 8 VAL C C 8 175.900 175.544 0.356 1
2 57 . 3 1 1 A 8 8 VAL CA C 8 62.200 61.341 0.859 1
2 58 . 3 1 1 A 8 8 VAL CB C 8 33.300 34.722 -1.422 1
2 59 . 3 1 1 A 8 8 VAL N N 8 123.400 119.792 3.608 1
2 60 . 3 1 1 A 9 9 VAL H H 9 8.360 9.052 -0.692 1
2 61 . 3 1 1 A 9 9 VAL HA H 9 4.430 5.001 -0.571 1
2 63 . 3 1 1 A 9 9 VAL C C 9 176.300 174.751 1.549 1
2 64 . 3 1 1 A 9 9 VAL CA C 9 61.700 59.254 2.446 1
2 65 . 3 1 1 A 9 9 VAL CB C 9 33.000 34.740 -1.740 1
2 66 . 3 1 1 A 9 9 VAL N N 9 126.800 121.546 5.254 1
2 67 . 3 1 1 A 10 10 VAL H H 10 8.900 8.889 0.011 1
2 68 . 3 1 1 A 10 10 VAL HA H 10 4.980 5.328 -0.348 1
2 70 . 3 1 1 A 10 10 VAL C C 10 173.400 173.785 -0.385 1
2 71 . 3 1 1 A 10 10 VAL CA C 10 58.300 59.252 -0.952 1
2 72 . 3 1 1 A 10 10 VAL CB C 10 35.100 35.200 -0.100 1
2 73 . 3 1 1 A 10 10 VAL N N 10 119.700 120.745 -1.045 1
2 74 . 3 1 1 A 11 11 VAL H H 11 8.550 9.047 -0.497 1
2 75 . 3 1 1 A 11 11 VAL HA H 11 5.000 4.734 0.266 1
2 77 . 3 1 1 A 11 11 VAL C C 11 176.700 174.921 1.779 1
2 78 . 3 1 1 A 11 11 VAL CA C 11 59.600 59.804 -0.204 1
2 79 . 3 1 1 A 11 11 VAL CB C 11 35.100 34.413 0.687 1
2 80 . 3 1 1 A 11 11 VAL N N 11 118.700 123.171 -4.471 1
2 81 . 3 1 1 A 12 12 ALA H H 12 8.770 8.473 0.297 1
2 82 . 3 1 1 A 12 12 ALA HA H 12 4.580 4.551 0.029 1
2 86 . 3 1 1 A 12 12 ALA C C 12 178.600 177.091 1.509 1
2 87 . 3 1 1 A 12 12 ALA CA C 12 52.800 52.732 0.068 1
2 88 . 3 1 1 A 12 12 ALA CB C 12 19.900 19.110 0.790 1
2 89 . 3 1 1 A 12 12 ALA N N 12 128.500 130.254 -1.754 1
2 90 . 3 1 1 A 13 13 LYS H H 13 9.370 8.985 0.385 1
2 91 . 3 1 1 A 13 13 LYS HA H 13 3.850 4.197 -0.347 1
2 94 . 3 1 1 A 13 13 LYS C C 13 174.700 176.393 -1.693 1
2 95 . 3 1 1 A 13 13 LYS CA C 13 57.300 56.933 0.367 1
2 96 . 3 1 1 A 13 13 LYS CB C 13 33.800 33.442 0.358 1
2 97 . 3 1 1 A 13 13 LYS N N 13 126.700 121.825 4.875 1
2 98 . 3 1 1 A 14 14 PHE H H 14 7.140 7.936 -0.796 1
2 99 . 3 1 1 A 14 14 PHE HA H 14 4.800 5.054 -0.254 1
2 102 . 3 1 1 A 14 14 PHE C C 14 173.600 174.628 -1.028 1
2 103 . 3 1 1 A 14 14 PHE CA C 14 53.700 56.767 -3.067 1
2 104 . 3 1 1 A 14 14 PHE CB C 14 43.700 42.986 0.714 1
2 105 . 3 1 1 A 14 14 PHE N N 14 111.600 115.844 -4.244 1
2 106 . 3 1 1 A 15 15 ASP H H 15 8.360 8.920 -0.560 1
2 107 . 3 1 1 A 15 15 ASP HA H 15 4.790 5.695 -0.905 1
2 110 . 3 1 1 A 15 15 ASP C C 15 176.400 174.629 1.771 1
2 111 . 3 1 1 A 15 15 ASP CA C 15 54.700 52.944 1.756 1
2 112 . 3 1 1 A 15 15 ASP CB C 15 41.600 43.090 -1.490 1
2 113 . 3 1 1 A 15 15 ASP N N 15 117.400 119.418 -2.018 1
2 114 . 3 1 1 A 16 16 TYR H H 16 8.860 8.945 -0.085 1
2 115 . 3 1 1 A 16 16 TYR HA H 16 4.750 5.376 -0.626 1
2 118 . 3 1 1 A 16 16 TYR C C 16 173.700 173.717 -0.017 1
2 119 . 3 1 1 A 16 16 TYR CA C 16 59.500 56.983 2.517 1
2 120 . 3 1 1 A 16 16 TYR CB C 16 41.500 42.534 -1.034 1
2 121 . 3 1 1 A 16 16 TYR N N 16 121.000 123.722 -2.722 1
2 122 . 3 1 1 A 17 17 VAL H H 17 7.180 8.360 -1.180 1
2 123 . 3 1 1 A 17 17 VAL HA H 17 4.150 4.237 -0.087 1
2 125 . 3 1 1 A 17 17 VAL C C 17 174.500 175.139 -0.639 1
2 126 . 3 1 1 A 17 17 VAL CA C 17 60.600 60.828 -0.228 1
2 127 . 3 1 1 A 17 17 VAL CB C 17 32.300 32.865 -0.565 1
2 128 . 3 1 1 A 17 17 VAL N N 17 129.100 123.852 5.248 1
2 129 . 3 1 1 A 18 18 ALA H H 18 8.640 8.169 0.471 1
2 130 . 3 1 1 A 18 18 ALA HA H 18 4.230 4.695 -0.465 1
2 134 . 3 1 1 A 18 18 ALA C C 18 179.100 177.968 1.132 1
2 135 . 3 1 1 A 18 18 ALA CA C 18 53.300 52.252 1.048 1
2 136 . 3 1 1 A 18 18 ALA CB C 18 19.900 19.183 0.717 1
2 137 . 3 1 1 A 18 18 ALA N N 18 128.900 131.291 -2.391 1
2 138 . 3 1 1 A 19 19 GLN H H 19 9.080 8.386 0.694 1
2 139 . 3 1 1 A 19 19 GLN HA H 19 4.320 3.929 0.391 1
2 144 . 3 1 1 A 19 19 GLN C C 19 175.500 177.007 -1.507 1
2 145 . 3 1 1 A 19 19 GLN CA C 19 55.100 59.797 -4.697 1
2 146 . 3 1 1 A 19 19 GLN CB C 19 31.200 28.940 2.260 1
2 148 . 3 1 1 A 19 19 GLN N N 19 120.400 125.112 -4.712 1
2 150 . 3 1 1 A 20 20 GLN H H 20 7.220 8.105 -0.885 1
2 151 . 3 1 1 A 20 20 GLN HA H 20 4.590 4.344 0.246 1
2 156 . 3 1 1 A 20 20 GLN C C 20 176.800 177.012 -0.212 1
2 157 . 3 1 1 A 20 20 GLN CA C 20 53.900 55.722 -1.822 1
2 158 . 3 1 1 A 20 20 GLN CB C 20 32.400 30.023 2.377 1
2 159 . 3 1 1 A 20 20 GLN N N 20 114.500 117.609 -3.109 1
2 161 . 3 1 1 A 21 21 GLU H H 21 8.980 8.931 0.049 1
2 162 . 3 1 1 A 21 21 GLU HA H 21 4.090 4.081 0.009 1
2 164 . 3 1 1 A 21 21 GLU C C 21 176.900 179.089 -2.189 1
2 165 . 3 1 1 A 21 21 GLU CA C 21 59.500 58.780 0.720 1
2 166 . 3 1 1 A 21 21 GLU CB C 21 29.700 29.126 0.574 1
2 167 . 3 1 1 A 21 21 GLU N N 21 121.600 123.877 -2.277 1
2 168 . 3 1 1 A 22 22 GLN H H 22 8.470 8.014 0.456 1
2 169 . 3 1 1 A 22 22 GLN HA H 22 4.540 4.061 0.479 1
2 174 . 3 1 1 A 22 22 GLN C C 22 176.700 176.624 0.076 1
2 175 . 3 1 1 A 22 22 GLN CA C 22 56.700 58.920 -2.220 1
2 176 . 3 1 1 A 22 22 GLN CB C 22 28.000 28.803 -0.803 1
2 178 . 3 1 1 A 22 22 GLN N N 22 113.600 119.347 -5.747 1
2 180 . 3 1 1 A 23 23 GLU H H 23 7.730 7.701 0.029 1
2 181 . 3 1 1 A 23 23 GLU HA H 23 5.340 4.536 0.804 1
2 184 . 3 1 1 A 23 23 GLU C C 23 174.700 176.019 -1.319 1
2 185 . 3 1 1 A 23 23 GLU CA C 23 55.600 57.040 -1.440 1
2 186 . 3 1 1 A 23 23 GLU CB C 23 32.400 30.919 1.481 1
2 187 . 3 1 1 A 23 23 GLU N N 23 120.200 118.903 1.297 1
2 188 . 3 1 1 A 24 24 LEU H H 24 7.900 8.562 -0.662 1
2 189 . 3 1 1 A 24 24 LEU HA H 24 4.680 5.193 -0.513 1
2 192 . 3 1 1 A 24 24 LEU C C 24 174.300 176.065 -1.765 1
2 193 . 3 1 1 A 24 24 LEU CA C 24 53.200 53.583 -0.383 1
2 194 . 3 1 1 A 24 24 LEU CB C 24 46.500 45.379 1.121 1
2 195 . 3 1 1 A 24 24 LEU N N 24 122.400 122.019 0.381 1
2 196 . 3 1 1 A 25 25 ASP H H 25 7.640 8.831 -1.191 1
2 197 . 3 1 1 A 25 25 ASP HA H 25 5.160 5.297 -0.137 1
2 200 . 3 1 1 A 25 25 ASP C C 25 176.800 176.347 0.453 1
2 201 . 3 1 1 A 25 25 ASP CA C 25 54.200 53.471 0.729 1
2 202 . 3 1 1 A 25 25 ASP CB C 25 42.300 41.915 0.385 1
2 203 . 3 1 1 A 25 25 ASP N N 25 121.400 122.378 -0.978 1
2 204 . 3 1 1 A 26 26 ILE H H 26 8.930 8.787 0.143 1
2 205 . 3 1 1 A 26 26 ILE HA H 26 5.120 5.245 -0.125 1
2 207 . 3 1 1 A 26 26 ILE C C 26 175.200 174.183 1.017 1
2 208 . 3 1 1 A 26 26 ILE CA C 26 59.700 58.915 0.785 1
2 209 . 3 1 1 A 26 26 ILE CB C 26 42.400 42.083 0.317 1
2 210 . 3 1 1 A 26 26 ILE N N 26 115.600 119.255 -3.655 1
2 211 . 3 1 1 A 27 27 LYS H H 27 8.930 8.774 0.156 1
2 212 . 3 1 1 A 27 27 LYS HA H 27 5.090 4.809 0.281 1
2 215 . 3 1 1 A 27 27 LYS C C 27 175.300 174.656 0.644 1
2 216 . 3 1 1 A 27 27 LYS CA C 27 52.900 55.171 -2.271 1
2 217 . 3 1 1 A 27 27 LYS CB C 27 35.400 36.564 -1.164 1
2 218 . 3 1 1 A 27 27 LYS N N 27 123.000 121.766 1.234 1
2 219 . 3 1 1 A 28 28 LYS H H 28 8.990 8.589 0.401 1
2 220 . 3 1 1 A 28 28 LYS HA H 28 3.110 3.918 -0.808 1
2 222 . 3 1 1 A 28 28 LYS C C 28 177.000 177.276 -0.276 1
2 223 . 3 1 1 A 28 28 LYS CA C 28 59.200 58.276 0.924 1
2 224 . 3 1 1 A 28 28 LYS CB C 28 32.600 32.134 0.466 1
2 225 . 3 1 1 A 28 28 LYS N N 28 121.200 126.523 -5.323 1
2 226 . 3 1 1 A 29 29 ASN H H 29 8.700 8.611 0.089 1
2 227 . 3 1 1 A 29 29 ASN HA H 29 4.180 4.197 -0.017 1
2 232 . 3 1 1 A 29 29 ASN C C 29 174.200 174.318 -0.118 1
2 233 . 3 1 1 A 29 29 ASN CA C 29 55.900 54.401 1.499 1
2 234 . 3 1 1 A 29 29 ASN CB C 29 37.400 37.147 0.253 1
2 235 . 3 1 1 A 29 29 ASN N N 29 118.300 121.740 -3.440 1
2 237 . 3 1 1 A 30 30 GLU H H 30 8.660 7.486 1.174 1
2 238 . 3 1 1 A 30 30 GLU HA H 30 4.160 4.829 -0.669 1
2 241 . 3 1 1 A 30 30 GLU C C 30 175.200 175.377 -0.177 1
2 242 . 3 1 1 A 30 30 GLU CA C 30 57.700 54.934 2.766 1
2 243 . 3 1 1 A 30 30 GLU CB C 30 31.800 32.312 -0.512 1
2 244 . 3 1 1 A 30 30 GLU N N 30 124.200 117.658 6.542 1
2 245 . 3 1 1 A 31 31 ARG H H 31 8.490 8.611 -0.121 1
2 246 . 3 1 1 A 31 31 ARG HA H 31 4.580 4.307 0.273 1
2 250 . 3 1 1 A 31 31 ARG C C 31 175.000 175.672 -0.672 1
2 251 . 3 1 1 A 31 31 ARG CA C 31 56.200 56.502 -0.302 1
2 252 . 3 1 1 A 31 31 ARG CB C 31 30.800 30.931 -0.131 1
2 253 . 3 1 1 A 31 31 ARG N N 31 125.000 127.821 -2.821 1
2 255 . 3 1 1 A 32 32 LEU H H 32 8.860 8.601 0.259 1
2 256 . 3 1 1 A 32 32 LEU HA H 32 4.840 4.489 0.351 1
2 259 . 3 1 1 A 32 32 LEU C C 32 174.400 175.405 -1.005 1
2 260 . 3 1 1 A 32 32 LEU CA C 32 53.300 53.202 0.098 1
2 261 . 3 1 1 A 32 32 LEU CB C 32 46.300 46.604 -0.304 1
2 262 . 3 1 1 A 32 32 LEU N N 32 125.600 121.440 4.160 1
2 263 . 3 1 1 A 33 33 TRP H H 33 9.160 8.674 0.486 1
2 264 . 3 1 1 A 33 33 TRP HA H 33 5.100 5.366 -0.266 1
2 268 . 3 1 1 A 33 33 TRP C C 33 176.000 175.794 0.206 1
2 269 . 3 1 1 A 33 33 TRP CA C 33 58.300 56.070 2.230 1
2 270 . 3 1 1 A 33 33 TRP CB C 33 31.000 30.999 0.001 1
2 271 . 3 1 1 A 33 33 TRP N N 33 121.000 121.590 -0.590 1
2 273 . 3 1 1 A 34 34 LEU H H 34 9.130 8.637 0.493 1
2 274 . 3 1 1 A 34 34 LEU HA H 34 4.330 4.497 -0.167 1
2 277 . 3 1 1 A 34 34 LEU C C 34 175.400 176.000 -0.600 1
2 278 . 3 1 1 A 34 34 LEU CA C 34 55.600 55.398 0.202 1
2 279 . 3 1 1 A 34 34 LEU CB C 34 43.700 42.736 0.964 1
2 280 . 3 1 1 A 34 34 LEU N N 34 125.100 126.534 -1.434 1
2 281 . 3 1 1 A 35 35 LEU H H 35 9.020 8.988 0.032 1
2 282 . 3 1 1 A 35 35 LEU HA H 35 4.620 4.347 0.273 1
2 285 . 3 1 1 A 35 35 LEU C C 35 177.400 176.244 1.156 1
2 286 . 3 1 1 A 35 35 LEU CA C 35 55.400 56.226 -0.826 1
2 287 . 3 1 1 A 35 35 LEU CB C 35 42.600 42.524 0.076 1
2 288 . 3 1 1 A 35 35 LEU N N 35 126.300 127.745 -1.445 1
2 289 . 3 1 1 A 36 36 ASP H H 36 7.460 7.605 -0.145 1
2 290 . 3 1 1 A 36 36 ASP HA H 36 4.760 4.849 -0.089 1
2 293 . 3 1 1 A 36 36 ASP C C 36 175.000 175.389 -0.389 1
2 294 . 3 1 1 A 36 36 ASP CA C 36 55.200 52.887 2.313 1
2 295 . 3 1 1 A 36 36 ASP CB C 36 43.400 42.567 0.833 1
2 296 . 3 1 1 A 36 36 ASP N N 36 115.400 117.462 -2.062 1
2 297 . 3 1 1 A 37 37 ASP H H 37 8.330 8.362 -0.032 1
2 298 . 3 1 1 A 37 37 ASP HA H 37 3.940 4.512 -0.572 1
2 301 . 3 1 1 A 37 37 ASP C C 37 176.400 176.597 -0.197 1
2 302 . 3 1 1 A 37 37 ASP CA C 37 52.200 52.289 -0.089 1
2 303 . 3 1 1 A 37 37 ASP CB C 37 39.900 39.426 0.474 1
2 304 . 3 1 1 A 37 37 ASP N N 37 128.400 123.911 4.489 1
2 305 . 3 1 1 A 38 38 SER H H 38 8.470 8.098 0.372 1
2 306 . 3 1 1 A 38 38 SER HA H 38 4.210 4.573 -0.363 1
2 309 . 3 1 1 A 38 38 SER C C 38 175.300 174.765 0.535 1
2 310 . 3 1 1 A 38 38 SER CA C 38 61.600 60.840 0.760 1
2 311 . 3 1 1 A 38 38 SER CB C 38 64.100 64.196 -0.096 1
2 312 . 3 1 1 A 38 38 SER N N 38 115.700 114.640 1.060 1
2 313 . 3 1 1 A 39 39 LYS H H 39 8.440 7.668 0.772 1
2 314 . 3 1 1 A 39 39 LYS HA H 39 4.910 4.468 0.442 1
2 317 . 3 1 1 A 39 39 LYS C C 39 175.900 178.057 -2.157 1
2 318 . 3 1 1 A 39 39 LYS CA C 39 55.000 56.038 -1.038 1
2 319 . 3 1 1 A 39 39 LYS CB C 39 34.300 33.376 0.924 1
2 320 . 3 1 1 A 39 39 LYS N N 39 122.300 120.397 1.903 1
2 321 . 3 1 1 A 40 40 SER H H 40 8.360 8.772 -0.412 1
2 322 . 3 1 1 A 40 40 SER HA H 40 4.310 4.170 0.140 1
2 325 . 3 1 1 A 40 40 SER C C 40 175.200 175.419 -0.219 1
2 326 . 3 1 1 A 40 40 SER CA C 40 60.900 62.662 -1.762 1
2 327 . 3 1 1 A 40 40 SER CB C 40 63.100 63.111 -0.011 1
2 328 . 3 1 1 A 40 40 SER N N 40 112.600 116.076 -3.476 1
2 329 . 3 1 1 A 41 41 TRP H H 41 7.440 8.208 -0.768 1
2 330 . 3 1 1 A 41 41 TRP HA H 41 4.840 4.864 -0.024 1
2 334 . 3 1 1 A 41 41 TRP C C 41 175.500 176.314 -0.814 1
2 335 . 3 1 1 A 41 41 TRP CA C 41 56.800 56.636 0.164 1
2 336 . 3 1 1 A 41 41 TRP CB C 41 29.600 29.825 -0.225 1
2 337 . 3 1 1 A 41 41 TRP N N 41 121.300 119.153 2.147 1
2 339 . 3 1 1 A 42 42 TRP H H 42 9.350 9.012 0.338 1
2 340 . 3 1 1 A 42 42 TRP HA H 42 5.440 5.123 0.317 1
2 344 . 3 1 1 A 42 42 TRP C C 42 175.000 176.069 -1.069 1
2 345 . 3 1 1 A 42 42 TRP CA C 42 54.300 57.418 -3.118 1
2 346 . 3 1 1 A 42 42 TRP CB C 42 30.800 29.350 1.450 1
2 347 . 3 1 1 A 42 42 TRP N N 42 125.400 125.218 0.182 1
2 349 . 3 1 1 A 43 43 ARG H H 43 8.810 9.126 -0.316 1
2 350 . 3 1 1 A 43 43 ARG HA H 43 4.530 4.562 -0.032 1
2 354 . 3 1 1 A 43 43 ARG C C 43 175.600 176.128 -0.528 1
2 355 . 3 1 1 A 43 43 ARG CA C 43 55.400 56.081 -0.681 1
2 356 . 3 1 1 A 43 43 ARG CB C 43 32.200 30.504 1.696 1
2 357 . 3 1 1 A 43 43 ARG N N 43 124.200 126.233 -2.033 1
2 359 . 3 1 1 A 44 44 VAL H H 44 9.210 8.744 0.466 1
2 360 . 3 1 1 A 44 44 VAL HA H 44 5.510 5.214 0.296 1
2 362 . 3 1 1 A 44 44 VAL C C 44 172.800 173.673 -0.873 1
2 363 . 3 1 1 A 44 44 VAL CA C 44 58.800 58.712 0.088 1
2 364 . 3 1 1 A 44 44 VAL CB C 44 36.600 36.083 0.517 1
2 365 . 3 1 1 A 44 44 VAL N N 44 121.400 119.254 2.146 1
2 366 . 3 1 1 A 45 45 ARG H H 45 9.260 9.180 0.080 1
2 367 . 3 1 1 A 45 45 ARG HA H 45 5.510 5.353 0.157 1
2 371 . 3 1 1 A 45 45 ARG C C 45 175.700 173.914 1.786 1
2 372 . 3 1 1 A 45 45 ARG CA C 45 53.700 53.984 -0.284 1
2 373 . 3 1 1 A 45 45 ARG CB C 45 35.400 34.055 1.345 1
2 374 . 3 1 1 A 45 45 ARG N N 45 120.000 121.579 -1.579 1
2 376 . 3 1 1 A 46 46 ASN H H 46 8.820 8.927 -0.107 1
2 377 . 3 1 1 A 46 46 ASN HA H 46 5.470 5.323 0.147 1
2 382 . 3 1 1 A 46 46 ASN C C 46 178.500 177.104 1.396 1
2 383 . 3 1 1 A 46 46 ASN CA C 46 50.600 51.339 -0.739 1
2 384 . 3 1 1 A 46 46 ASN CB C 46 41.000 41.279 -0.279 1
2 385 . 3 1 1 A 46 46 ASN N N 46 123.300 124.006 -0.706 1
2 387 . 3 1 1 A 47 47 SER H H 47 9.730 9.046 0.684 1
2 388 . 3 1 1 A 47 47 SER HA H 47 4.320 4.515 -0.195 1
2 391 . 3 1 1 A 47 47 SER C C 47 175.200 175.655 -0.455 1
2 392 . 3 1 1 A 47 47 SER CA C 47 61.500 61.651 -0.151 1
2 393 . 3 1 1 A 47 47 SER CB C 47 63.100 62.933 0.167 1
2 394 . 3 1 1 A 47 47 SER N N 47 115.000 119.322 -4.322 1
2 395 . 3 1 1 A 48 48 MET H H 48 7.650 8.029 -0.379 1
2 396 . 3 1 1 A 48 48 MET HA H 48 4.730 4.575 0.155 1
2 399 . 3 1 1 A 48 48 MET C C 48 175.800 176.181 -0.381 1
2 400 . 3 1 1 A 48 48 MET CA C 48 54.500 55.806 -1.306 1
2 401 . 3 1 1 A 48 48 MET CB C 48 31.600 33.255 -1.655 1
2 402 . 3 1 1 A 48 48 MET N N 48 120.300 119.208 1.092 1
2 403 . 3 1 1 A 49 49 ASN H H 49 8.430 8.214 0.216 1
2 404 . 3 1 1 A 49 49 ASN HA H 49 4.210 4.474 -0.264 1
2 409 . 3 1 1 A 49 49 ASN C C 49 174.200 174.287 -0.087 1
2 410 . 3 1 1 A 49 49 ASN CA C 49 54.900 54.354 0.546 1
2 411 . 3 1 1 A 49 49 ASN CB C 49 37.100 36.537 0.563 1
2 412 . 3 1 1 A 49 49 ASN N N 49 113.400 117.054 -3.654 1
2 414 . 3 1 1 A 50 50 LYS H H 50 8.090 7.842 0.248 1
2 415 . 3 1 1 A 50 50 LYS HA H 50 4.560 4.366 0.194 1
2 418 . 3 1 1 A 50 50 LYS C C 50 175.500 175.466 0.034 1
2 419 . 3 1 1 A 50 50 LYS CA C 50 55.600 56.326 -0.726 1
2 420 . 3 1 1 A 50 50 LYS CB C 50 33.300 34.072 -0.772 1
2 421 . 3 1 1 A 50 50 LYS N N 50 121.000 120.756 0.244 1
2 422 . 3 1 1 A 51 51 THR H H 51 8.310 8.729 -0.419 1
2 423 . 3 1 1 A 51 51 THR HA H 51 5.730 5.188 0.542 1
2 425 . 3 1 1 A 51 51 THR C C 51 174.600 173.966 0.634 1
2 426 . 3 1 1 A 51 51 THR CA C 51 59.300 60.236 -0.936 1
2 427 . 3 1 1 A 51 51 THR CB C 51 71.900 72.920 -1.020 1
2 428 . 3 1 1 A 51 51 THR N N 51 113.800 115.693 -1.893 1
2 429 . 3 1 1 A 52 52 GLY H H 52 8.630 8.055 0.575 1
2 430 . 3 1 1 A 52 52 GLY HA2 H 52 4.090 4.183 -0.093 1
2 431 . 3 1 1 A 52 52 GLY HA3 H 52 3.920 4.232 -0.312 1
2 432 . 3 1 1 A 52 52 GLY C C 52 170.500 171.498 -0.998 1
2 433 . 3 1 1 A 52 52 GLY CA C 52 45.600 45.663 -0.063 1
2 434 . 3 1 1 A 52 52 GLY N N 52 107.900 110.407 -2.507 1
2 435 . 3 1 1 A 53 53 PHE H H 53 9.030 8.846 0.184 1
2 436 . 3 1 1 A 53 53 PHE HA H 53 5.850 5.126 0.724 1
2 439 . 3 1 1 A 53 53 PHE C C 53 176.400 175.846 0.554 1
2 440 . 3 1 1 A 53 53 PHE CA C 53 58.000 58.085 -0.085 1
2 441 . 3 1 1 A 53 53 PHE CB C 53 42.800 41.167 1.633 1
2 442 . 3 1 1 A 53 53 PHE N N 53 118.200 119.441 -1.241 1
2 443 . 3 1 1 A 54 54 VAL H H 54 9.150 8.868 0.282 1
2 444 . 3 1 1 A 54 54 VAL HA H 54 4.790 4.945 -0.155 1
2 445 . 3 1 1 A 54 54 VAL CA C 54 57.600 58.567 -0.967 1
2 446 . 3 1 1 A 54 54 VAL CB C 54 33.300 35.355 -2.055 1
2 447 . 3 1 1 A 54 54 VAL N N 54 112.100 117.129 -5.029 1
2 448 . 3 1 1 A 57 57 ASN HA H 57 4.480 4.406 0.074 1
2 453 . 3 1 1 A 57 57 ASN C C 57 175.500 175.993 -0.493 1
2 454 . 3 1 1 A 57 57 ASN CA C 57 53.900 55.102 -1.202 1
2 455 . 3 1 1 A 57 57 ASN CB C 57 36.600 38.143 -1.543 1
2 457 . 3 1 1 A 58 58 TYR H H 58 7.950 8.391 -0.441 1
2 458 . 3 1 1 A 58 58 TYR HA H 58 4.460 4.784 -0.324 1
2 461 . 3 1 1 A 58 58 TYR C C 58 175.200 175.905 -0.705 1
2 462 . 3 1 1 A 58 58 TYR CA C 58 59.100 58.701 0.399 1
2 463 . 3 1 1 A 58 58 TYR CB C 58 38.100 40.335 -2.235 1
2 464 . 3 1 1 A 58 58 TYR N N 58 118.400 117.489 0.911 1
2 465 . 3 1 1 A 59 59 VAL H H 59 7.300 7.475 -0.175 1
2 466 . 3 1 1 A 59 59 VAL HA H 59 5.080 4.890 0.190 1
2 468 . 3 1 1 A 59 59 VAL C C 59 173.100 174.336 -1.236 1
2 469 . 3 1 1 A 59 59 VAL CA C 59 58.700 59.623 -0.923 1
2 470 . 3 1 1 A 59 59 VAL CB C 59 35.500 35.464 0.036 1
2 471 . 3 1 1 A 59 59 VAL N N 59 111.800 114.498 -2.698 1
2 472 . 3 1 1 A 60 60 GLU H H 60 8.680 8.765 -0.085 1
2 473 . 3 1 1 A 60 60 GLU HA H 60 4.790 4.739 0.051 1
2 476 . 3 1 1 A 60 60 GLU C C 60 175.600 174.810 0.790 1
2 477 . 3 1 1 A 60 60 GLU CA C 60 54.400 55.871 -1.471 1
2 478 . 3 1 1 A 60 60 GLU CB C 60 33.300 33.346 -0.046 1
2 479 . 3 1 1 A 60 60 GLU N N 60 118.900 120.902 -2.002 1
2 480 . 3 1 1 A 61 61 ARG H H 61 9.070 8.616 0.454 1
2 481 . 3 1 1 A 61 61 ARG HA H 61 4.540 4.515 0.025 1
2 485 . 3 1 1 A 61 61 ARG C C 61 175.900 175.842 0.058 1
2 486 . 3 1 1 A 61 61 ARG CA C 61 56.500 56.258 0.242 1
2 487 . 3 1 1 A 61 61 ARG CB C 61 31.200 30.514 0.686 1
2 488 . 3 1 1 A 61 61 ARG N N 61 125.400 123.992 1.408 1
2 490 . 3 1 1 A 62 62 LYS H H 62 8.540 8.940 -0.400 1
2 491 . 3 1 1 A 62 62 LYS HA H 62 4.370 4.349 0.021 1
2 494 . 3 1 1 A 62 62 LYS C C 62 176.000 175.830 0.170 1
2 495 . 3 1 1 A 62 62 LYS CA C 62 55.900 57.045 -1.145 1
2 496 . 3 1 1 A 62 62 LYS CB C 62 33.200 33.340 -0.140 1
2 497 . 3 1 1 A 62 62 LYS N N 62 124.400 123.170 1.230 1
2 498 . 3 1 1 A 63 63 ASN H H 63 8.650 8.641 0.009 1
2 499 . 3 1 1 A 63 63 ASN HA H 63 4.740 5.016 -0.276 1
2 504 . 3 1 1 A 63 63 ASN C C 63 175.300 174.295 1.005 1
2 505 . 3 1 1 A 63 63 ASN CA C 63 53.300 52.475 0.825 1
2 506 . 3 1 1 A 63 63 ASN CB C 63 39.000 39.024 -0.024 1
2 507 . 3 1 1 A 63 63 ASN N N 63 121.200 120.606 0.594 1
2 509 . 3 1 1 A 64 64 SER H H 64 8.370 7.935 0.435 1
2 510 . 3 1 1 A 64 64 SER HA H 64 4.420 4.538 -0.118 1
2 513 . 3 1 1 A 64 64 SER C C 64 174.300 173.013 1.287 1
2 514 . 3 1 1 A 64 64 SER CA C 64 58.400 58.748 -0.348 1
2 515 . 3 1 1 A 64 64 SER CB C 64 63.900 61.419 2.481 1
2 516 . 3 1 1 A 64 64 SER N N 64 116.900 117.014 -0.114 1
2 517 . 3 1 1 A 65 65 ALA H H 65 8.370 8.412 -0.042 1
2 518 . 3 1 1 A 65 65 ALA HA H 65 4.330 4.498 -0.168 1
2 522 . 3 1 1 A 65 65 ALA C C 65 177.800 176.839 0.961 1
2 523 . 3 1 1 A 65 65 ALA CA C 65 52.700 50.708 1.992 1
2 524 . 3 1 1 A 65 65 ALA CB C 65 19.300 17.975 1.325 1
2 525 . 3 1 1 A 65 65 ALA N N 65 126.000 128.868 -2.868 1
2 526 . 3 1 1 A 66 66 ARG H H 66 8.230 8.196 0.034 1
2 527 . 3 1 1 A 66 66 ARG HA H 66 4.300 4.157 0.143 1
2 531 . 3 1 1 A 66 66 ARG C C 66 176.100 176.547 -0.447 1
2 532 . 3 1 1 A 66 66 ARG CA C 66 56.000 56.940 -0.940 1
2 533 . 3 1 1 A 66 66 ARG CB C 66 30.800 29.171 1.629 1
2 534 . 3 1 1 A 66 66 ARG N N 66 120.400 118.806 1.594 1
2 536 . 3 1 1 A 67 67 ALA H H 67 8.290 8.493 -0.203 1
2 537 . 3 1 1 A 67 67 ALA HA H 67 4.290 4.037 0.253 1
2 541 . 3 1 1 A 67 67 ALA C C 67 177.600 178.674 -1.074 1
2 542 . 3 1 1 A 67 67 ALA CA C 67 52.500 55.352 -2.852 1
2 543 . 3 1 1 A 67 67 ALA CB C 67 19.200 18.659 0.541 1
2 544 . 3 1 1 A 67 67 ALA N N 67 125.700 126.504 -0.804 1
2 545 . 3 1 1 A 68 68 ALA H H 68 8.270 7.965 0.305 1
2 546 . 3 1 1 A 68 68 ALA HA H 68 4.290 4.410 -0.120 1
2 550 . 3 1 1 A 68 68 ALA C C 68 178.600 177.877 0.723 1
2 551 . 3 1 1 A 68 68 ALA CA C 68 52.400 51.959 0.441 1
2 552 . 3 1 1 A 68 68 ALA CB C 68 19.200 18.839 0.361 1
2 553 . 3 1 1 A 68 68 ALA N N 68 123.100 119.093 4.007 1
2 554 . 3 1 1 A 69 69 ALA H H 69 8.260 7.678 0.582 1
2 555 . 3 1 1 A 69 69 ALA HA H 69 4.300 3.955 0.345 1
2 559 . 3 1 1 A 69 69 ALA C C 69 177.600 177.785 -0.185 1
2 560 . 3 1 1 A 69 69 ALA CA C 69 52.500 55.452 -2.952 1
2 561 . 3 1 1 A 69 69 ALA CB C 69 19.200 18.980 0.220 1
2 562 . 3 1 1 A 69 69 ALA N N 69 123.500 121.205 2.295 1
2 563 . 3 1 1 A 70 70 ASN H H 70 8.390 8.209 0.181 1
2 564 . 3 1 1 A 70 70 ASN HA H 70 4.750 5.145 -0.395 1
2 567 . 3 1 1 A 70 70 ASN C C 70 175.200 175.054 0.146 1
2 568 . 3 1 1 A 70 70 ASN CA C 70 53.300 51.775 1.525 1
2 569 . 3 1 1 A 70 70 ASN CB C 70 39.000 41.037 -2.037 1
2 570 . 3 1 1 A 70 70 ASN N N 70 117.500 114.846 2.654 1
2 571 . 3 1 1 A 71 71 SER H H 71 8.240 8.559 -0.319 1
2 572 . 3 1 1 A 71 71 SER HA H 71 4.520 4.554 -0.034 1
2 575 . 3 1 1 A 71 71 SER C C 71 173.700 174.685 -0.985 1
2 576 . 3 1 1 A 71 71 SER CA C 71 58.400 57.422 0.978 1
2 577 . 3 1 1 A 71 71 SER CB C 71 64.200 61.332 2.868 1
2 578 . 3 1 1 A 71 71 SER N N 71 116.200 118.729 -2.529 1
2 5 . 4 1 1 A 2 2 SER H H 2 8.720 8.720 0.000 1
2 6 . 4 1 1 A 2 2 SER HA H 2 4.600 4.761 -0.161 1
2 9 . 4 1 1 A 2 2 SER C C 2 174.800 174.452 0.348 1
2 10 . 4 1 1 A 2 2 SER CA C 2 58.300 57.174 1.126 1
2 11 . 4 1 1 A 2 2 SER CB C 2 64.000 64.064 -0.064 1
2 12 . 4 1 1 A 2 2 SER N N 2 115.900 120.001 -4.101 1
2 13 . 4 1 1 A 3 3 THR H H 3 8.340 8.755 -0.415 1
2 14 . 4 1 1 A 3 3 THR HA H 3 4.390 3.820 0.570 1
2 16 . 4 1 1 A 3 3 THR C C 3 174.600 174.780 -0.180 1
2 17 . 4 1 1 A 3 3 THR CA C 3 62.000 66.849 -4.849 1
2 18 . 4 1 1 A 3 3 THR CB C 3 69.800 69.094 0.706 1
2 19 . 4 1 1 A 3 3 THR N N 3 116.100 122.834 -6.734 1
2 20 . 4 1 1 A 4 4 MET H H 4 8.430 7.949 0.481 1
2 21 . 4 1 1 A 4 4 MET HA H 4 4.460 4.550 -0.090 1
2 24 . 4 1 1 A 4 4 MET C C 4 175.800 175.434 0.366 1
2 25 . 4 1 1 A 4 4 MET CA C 4 55.600 57.158 -1.558 1
2 26 . 4 1 1 A 4 4 MET CB C 4 33.000 31.845 1.155 1
2 27 . 4 1 1 A 4 4 MET N N 4 122.900 118.524 4.376 1
2 28 . 4 1 1 A 5 5 ALA H H 5 8.330 8.391 -0.061 1
2 29 . 4 1 1 A 5 5 ALA HA H 5 4.310 4.013 0.297 1
2 33 . 4 1 1 A 5 5 ALA C C 5 177.500 177.595 -0.095 1
2 34 . 4 1 1 A 5 5 ALA CA C 5 52.600 53.177 -0.577 1
2 35 . 4 1 1 A 5 5 ALA CB C 5 19.200 18.427 0.773 1
2 36 . 4 1 1 A 5 5 ALA N N 5 125.600 125.063 0.537 1
2 37 . 4 1 1 A 6 6 GLU H H 6 8.220 8.931 -0.711 1
2 38 . 4 1 1 A 6 6 GLU HA H 6 4.310 4.286 0.024 1
2 41 . 4 1 1 A 6 6 GLU C C 6 176.200 174.366 1.834 1
2 42 . 4 1 1 A 6 6 GLU CA C 6 56.100 57.020 -0.920 1
2 43 . 4 1 1 A 6 6 GLU CB C 6 30.600 29.041 1.559 1
2 44 . 4 1 1 A 6 6 GLU N N 6 119.900 121.894 -1.994 1
2 45 . 4 1 1 A 7 7 GLU H H 7 8.450 9.175 -0.725 1
2 46 . 4 1 1 A 7 7 GLU HA H 7 4.440 4.799 -0.359 1
2 49 . 4 1 1 A 7 7 GLU C C 7 176.000 174.732 1.268 1
2 50 . 4 1 1 A 7 7 GLU CA C 7 56.500 56.202 0.298 1
2 51 . 4 1 1 A 7 7 GLU CB C 7 30.700 33.500 -2.800 1
2 52 . 4 1 1 A 7 7 GLU N N 7 122.400 123.684 -1.284 1
2 53 . 4 1 1 A 8 8 VAL H H 8 8.490 8.667 -0.177 1
2 54 . 4 1 1 A 8 8 VAL HA H 8 4.210 4.896 -0.686 1
2 56 . 4 1 1 A 8 8 VAL C C 8 175.900 174.748 1.152 1
2 57 . 4 1 1 A 8 8 VAL CA C 8 62.200 60.581 1.619 1
2 58 . 4 1 1 A 8 8 VAL CB C 8 33.300 35.678 -2.378 1
2 59 . 4 1 1 A 8 8 VAL N N 8 123.400 124.680 -1.280 1
2 60 . 4 1 1 A 9 9 VAL H H 9 8.360 8.799 -0.439 1
2 61 . 4 1 1 A 9 9 VAL HA H 9 4.430 4.995 -0.565 1
2 63 . 4 1 1 A 9 9 VAL C C 9 176.300 174.747 1.553 1
2 64 . 4 1 1 A 9 9 VAL CA C 9 61.700 59.288 2.412 1
2 65 . 4 1 1 A 9 9 VAL CB C 9 33.000 34.854 -1.854 1
2 66 . 4 1 1 A 9 9 VAL N N 9 126.800 121.119 5.681 1
2 67 . 4 1 1 A 10 10 VAL H H 10 8.900 8.760 0.140 1
2 68 . 4 1 1 A 10 10 VAL HA H 10 4.980 5.306 -0.326 1
2 70 . 4 1 1 A 10 10 VAL C C 10 173.400 173.838 -0.438 1
2 71 . 4 1 1 A 10 10 VAL CA C 10 58.300 59.393 -1.093 1
2 72 . 4 1 1 A 10 10 VAL CB C 10 35.100 35.429 -0.329 1
2 73 . 4 1 1 A 10 10 VAL N N 10 119.700 120.212 -0.512 1
2 74 . 4 1 1 A 11 11 VAL H H 11 8.550 8.872 -0.322 1
2 75 . 4 1 1 A 11 11 VAL HA H 11 5.000 4.685 0.315 1
2 77 . 4 1 1 A 11 11 VAL C C 11 176.700 175.371 1.329 1
2 78 . 4 1 1 A 11 11 VAL CA C 11 59.600 60.003 -0.403 1
2 79 . 4 1 1 A 11 11 VAL CB C 11 35.100 34.017 1.083 1
2 80 . 4 1 1 A 11 11 VAL N N 11 118.700 125.464 -6.764 1
2 81 . 4 1 1 A 12 12 ALA H H 12 8.770 8.902 -0.132 1
2 82 . 4 1 1 A 12 12 ALA HA H 12 4.580 4.465 0.115 1
2 86 . 4 1 1 A 12 12 ALA C C 12 178.600 178.743 -0.143 1
2 87 . 4 1 1 A 12 12 ALA CA C 12 52.800 52.707 0.093 1
2 88 . 4 1 1 A 12 12 ALA CB C 12 19.900 19.209 0.691 1
2 89 . 4 1 1 A 12 12 ALA N N 12 128.500 130.717 -2.217 1
2 90 . 4 1 1 A 13 13 LYS H H 13 9.370 8.852 0.518 1
2 91 . 4 1 1 A 13 13 LYS HA H 13 3.850 4.373 -0.523 1
2 94 . 4 1 1 A 13 13 LYS C C 13 174.700 175.835 -1.135 1
2 95 . 4 1 1 A 13 13 LYS CA C 13 57.300 56.074 1.226 1
2 96 . 4 1 1 A 13 13 LYS CB C 13 33.800 33.549 0.251 1
2 97 . 4 1 1 A 13 13 LYS N N 13 126.700 118.971 7.729 1
2 98 . 4 1 1 A 14 14 PHE H H 14 7.140 7.542 -0.402 1
2 99 . 4 1 1 A 14 14 PHE HA H 14 4.800 5.047 -0.247 1
2 102 . 4 1 1 A 14 14 PHE C C 14 173.600 174.273 -0.673 1
2 103 . 4 1 1 A 14 14 PHE CA C 14 53.700 56.555 -2.855 1
2 104 . 4 1 1 A 14 14 PHE CB C 14 43.700 43.591 0.109 1
2 105 . 4 1 1 A 14 14 PHE N N 14 111.600 118.454 -6.854 1
2 106 . 4 1 1 A 15 15 ASP H H 15 8.360 9.033 -0.673 1
2 107 . 4 1 1 A 15 15 ASP HA H 15 4.790 5.809 -1.019 1
2 110 . 4 1 1 A 15 15 ASP C C 15 176.400 174.514 1.886 1
2 111 . 4 1 1 A 15 15 ASP CA C 15 54.700 52.805 1.895 1
2 112 . 4 1 1 A 15 15 ASP CB C 15 41.600 43.434 -1.834 1
2 113 . 4 1 1 A 15 15 ASP N N 15 117.400 119.150 -1.750 1
2 114 . 4 1 1 A 16 16 TYR H H 16 8.860 8.967 -0.107 1
2 115 . 4 1 1 A 16 16 TYR HA H 16 4.750 5.353 -0.603 1
2 118 . 4 1 1 A 16 16 TYR C C 16 173.700 173.531 0.169 1
2 119 . 4 1 1 A 16 16 TYR CA C 16 59.500 57.195 2.305 1
2 120 . 4 1 1 A 16 16 TYR CB C 16 41.500 42.346 -0.846 1
2 121 . 4 1 1 A 16 16 TYR N N 16 121.000 123.444 -2.444 1
2 122 . 4 1 1 A 17 17 VAL H H 17 7.180 8.342 -1.162 1
2 123 . 4 1 1 A 17 17 VAL HA H 17 4.150 4.244 -0.094 1
2 125 . 4 1 1 A 17 17 VAL C C 17 174.500 175.173 -0.673 1
2 126 . 4 1 1 A 17 17 VAL CA C 17 60.600 60.836 -0.236 1
2 127 . 4 1 1 A 17 17 VAL CB C 17 32.300 33.023 -0.723 1
2 128 . 4 1 1 A 17 17 VAL N N 17 129.100 123.916 5.184 1
2 129 . 4 1 1 A 18 18 ALA H H 18 8.640 8.236 0.404 1
2 130 . 4 1 1 A 18 18 ALA HA H 18 4.230 4.703 -0.473 1
2 134 . 4 1 1 A 18 18 ALA C C 18 179.100 177.507 1.593 1
2 135 . 4 1 1 A 18 18 ALA CA C 18 53.300 51.948 1.352 1
2 136 . 4 1 1 A 18 18 ALA CB C 18 19.900 18.897 1.003 1
2 137 . 4 1 1 A 18 18 ALA N N 18 128.900 131.336 -2.436 1
2 138 . 4 1 1 A 19 19 GLN H H 19 9.080 8.204 0.876 1
2 139 . 4 1 1 A 19 19 GLN HA H 19 4.320 3.943 0.377 1
2 144 . 4 1 1 A 19 19 GLN C C 19 175.500 177.124 -1.624 1
2 145 . 4 1 1 A 19 19 GLN CA C 19 55.100 59.969 -4.869 1
2 146 . 4 1 1 A 19 19 GLN CB C 19 31.200 28.957 2.243 1
2 148 . 4 1 1 A 19 19 GLN N N 19 120.400 124.985 -4.585 1
2 150 . 4 1 1 A 20 20 GLN H H 20 7.220 7.679 -0.459 1
2 151 . 4 1 1 A 20 20 GLN HA H 20 4.590 4.353 0.237 1
2 156 . 4 1 1 A 20 20 GLN C C 20 176.800 177.114 -0.314 1
2 157 . 4 1 1 A 20 20 GLN CA C 20 53.900 55.415 -1.515 1
2 158 . 4 1 1 A 20 20 GLN CB C 20 32.400 29.427 2.973 1
2 159 . 4 1 1 A 20 20 GLN N N 20 114.500 117.461 -2.961 1
2 161 . 4 1 1 A 21 21 GLU H H 21 8.980 8.922 0.058 1
2 162 . 4 1 1 A 21 21 GLU HA H 21 4.090 4.074 0.016 1
2 164 . 4 1 1 A 21 21 GLU C C 21 176.900 178.445 -1.545 1
2 165 . 4 1 1 A 21 21 GLU CA C 21 59.500 58.598 0.902 1
2 166 . 4 1 1 A 21 21 GLU CB C 21 29.700 29.160 0.540 1
2 167 . 4 1 1 A 21 21 GLU N N 21 121.600 122.799 -1.199 1
2 168 . 4 1 1 A 22 22 GLN H H 22 8.470 7.950 0.520 1
2 169 . 4 1 1 A 22 22 GLN HA H 22 4.540 4.155 0.385 1
2 174 . 4 1 1 A 22 22 GLN C C 22 176.700 176.464 0.236 1
2 175 . 4 1 1 A 22 22 GLN CA C 22 56.700 58.450 -1.750 1
2 176 . 4 1 1 A 22 22 GLN CB C 22 28.000 28.784 -0.784 1
2 178 . 4 1 1 A 22 22 GLN N N 22 113.600 119.854 -6.254 1
2 180 . 4 1 1 A 23 23 GLU H H 23 7.730 7.665 0.065 1
2 181 . 4 1 1 A 23 23 GLU HA H 23 5.340 4.575 0.765 1
2 184 . 4 1 1 A 23 23 GLU C C 23 174.700 176.293 -1.593 1
2 185 . 4 1 1 A 23 23 GLU CA C 23 55.600 57.054 -1.454 1
2 186 . 4 1 1 A 23 23 GLU CB C 23 32.400 30.743 1.657 1
2 187 . 4 1 1 A 23 23 GLU N N 23 120.200 119.150 1.050 1
2 188 . 4 1 1 A 24 24 LEU H H 24 7.900 8.523 -0.623 1
2 189 . 4 1 1 A 24 24 LEU HA H 24 4.680 5.108 -0.428 1
2 192 . 4 1 1 A 24 24 LEU C C 24 174.300 176.137 -1.837 1
2 193 . 4 1 1 A 24 24 LEU CA C 24 53.200 53.562 -0.362 1
2 194 . 4 1 1 A 24 24 LEU CB C 24 46.500 45.005 1.495 1
2 195 . 4 1 1 A 24 24 LEU N N 24 122.400 122.238 0.162 1
2 196 . 4 1 1 A 25 25 ASP H H 25 7.640 8.878 -1.238 1
2 197 . 4 1 1 A 25 25 ASP HA H 25 5.160 5.304 -0.144 1
2 200 . 4 1 1 A 25 25 ASP C C 25 176.800 176.295 0.505 1
2 201 . 4 1 1 A 25 25 ASP CA C 25 54.200 53.332 0.868 1
2 202 . 4 1 1 A 25 25 ASP CB C 25 42.300 41.937 0.363 1
2 203 . 4 1 1 A 25 25 ASP N N 25 121.400 121.386 0.014 1
2 204 . 4 1 1 A 26 26 ILE H H 26 8.930 8.834 0.096 1
2 205 . 4 1 1 A 26 26 ILE HA H 26 5.120 5.257 -0.137 1
2 207 . 4 1 1 A 26 26 ILE C C 26 175.200 174.182 1.018 1
2 208 . 4 1 1 A 26 26 ILE CA C 26 59.700 58.905 0.795 1
2 209 . 4 1 1 A 26 26 ILE CB C 26 42.400 42.096 0.304 1
2 210 . 4 1 1 A 26 26 ILE N N 26 115.600 119.202 -3.602 1
2 211 . 4 1 1 A 27 27 LYS H H 27 8.930 8.759 0.171 1
2 212 . 4 1 1 A 27 27 LYS HA H 27 5.090 4.818 0.272 1
2 215 . 4 1 1 A 27 27 LYS C C 27 175.300 174.679 0.621 1
2 216 . 4 1 1 A 27 27 LYS CA C 27 52.900 55.132 -2.232 1
2 217 . 4 1 1 A 27 27 LYS CB C 27 35.400 36.561 -1.161 1
2 218 . 4 1 1 A 27 27 LYS N N 27 123.000 121.653 1.347 1
2 219 . 4 1 1 A 28 28 LYS H H 28 8.990 8.625 0.365 1
2 220 . 4 1 1 A 28 28 LYS HA H 28 3.110 3.947 -0.837 1
2 222 . 4 1 1 A 28 28 LYS C C 28 177.000 177.297 -0.297 1
2 223 . 4 1 1 A 28 28 LYS CA C 28 59.200 58.257 0.943 1
2 224 . 4 1 1 A 28 28 LYS CB C 28 32.600 32.138 0.462 1
2 225 . 4 1 1 A 28 28 LYS N N 28 121.200 126.617 -5.417 1
2 226 . 4 1 1 A 29 29 ASN H H 29 8.700 8.644 0.056 1
2 227 . 4 1 1 A 29 29 ASN HA H 29 4.180 4.263 -0.083 1
2 232 . 4 1 1 A 29 29 ASN C C 29 174.200 174.366 -0.166 1
2 233 . 4 1 1 A 29 29 ASN CA C 29 55.900 54.428 1.472 1
2 234 . 4 1 1 A 29 29 ASN CB C 29 37.400 37.107 0.293 1
2 235 . 4 1 1 A 29 29 ASN N N 29 118.300 121.017 -2.717 1
2 237 . 4 1 1 A 30 30 GLU H H 30 8.660 7.532 1.128 1
2 238 . 4 1 1 A 30 30 GLU HA H 30 4.160 4.825 -0.665 1
2 241 . 4 1 1 A 30 30 GLU C C 30 175.200 175.024 0.176 1
2 242 . 4 1 1 A 30 30 GLU CA C 30 57.700 55.075 2.625 1
2 243 . 4 1 1 A 30 30 GLU CB C 30 31.800 32.207 -0.407 1
2 244 . 4 1 1 A 30 30 GLU N N 30 124.200 117.699 6.501 1
2 245 . 4 1 1 A 31 31 ARG H H 31 8.490 8.706 -0.216 1
2 246 . 4 1 1 A 31 31 ARG HA H 31 4.580 4.542 0.038 1
2 250 . 4 1 1 A 31 31 ARG C C 31 175.000 175.322 -0.322 1
2 251 . 4 1 1 A 31 31 ARG CA C 31 56.200 56.166 0.034 1
2 252 . 4 1 1 A 31 31 ARG CB C 31 30.800 30.701 0.099 1
2 253 . 4 1 1 A 31 31 ARG N N 31 125.000 126.653 -1.653 1
2 255 . 4 1 1 A 32 32 LEU H H 32 8.860 9.096 -0.236 1
2 256 . 4 1 1 A 32 32 LEU HA H 32 4.840 4.635 0.205 1
2 259 . 4 1 1 A 32 32 LEU C C 32 174.400 175.496 -1.096 1
2 260 . 4 1 1 A 32 32 LEU CA C 32 53.300 52.974 0.326 1
2 261 . 4 1 1 A 32 32 LEU CB C 32 46.300 45.271 1.029 1
2 262 . 4 1 1 A 32 32 LEU N N 32 125.600 125.388 0.212 1
2 263 . 4 1 1 A 33 33 TRP H H 33 9.160 8.924 0.236 1
2 264 . 4 1 1 A 33 33 TRP HA H 33 5.100 5.273 -0.173 1
2 268 . 4 1 1 A 33 33 TRP C C 33 176.000 175.674 0.326 1
2 269 . 4 1 1 A 33 33 TRP CA C 33 58.300 56.035 2.265 1
2 270 . 4 1 1 A 33 33 TRP CB C 33 31.000 30.080 0.920 1
2 271 . 4 1 1 A 33 33 TRP N N 33 121.000 121.660 -0.660 1
2 273 . 4 1 1 A 34 34 LEU H H 34 9.130 8.421 0.709 1
2 274 . 4 1 1 A 34 34 LEU HA H 34 4.330 4.370 -0.040 1
2 277 . 4 1 1 A 34 34 LEU C C 34 175.400 176.025 -0.625 1
2 278 . 4 1 1 A 34 34 LEU CA C 34 55.600 55.778 -0.178 1
2 279 . 4 1 1 A 34 34 LEU CB C 34 43.700 42.351 1.349 1
2 280 . 4 1 1 A 34 34 LEU N N 34 125.100 127.523 -2.423 1
2 281 . 4 1 1 A 35 35 LEU H H 35 9.020 9.065 -0.045 1
2 282 . 4 1 1 A 35 35 LEU HA H 35 4.620 4.338 0.282 1
2 285 . 4 1 1 A 35 35 LEU C C 35 177.400 176.593 0.807 1
2 286 . 4 1 1 A 35 35 LEU CA C 35 55.400 56.278 -0.878 1
2 287 . 4 1 1 A 35 35 LEU CB C 35 42.600 42.380 0.220 1
2 288 . 4 1 1 A 35 35 LEU N N 35 126.300 127.903 -1.603 1
2 289 . 4 1 1 A 36 36 ASP H H 36 7.460 7.815 -0.355 1
2 290 . 4 1 1 A 36 36 ASP HA H 36 4.760 4.979 -0.219 1
2 293 . 4 1 1 A 36 36 ASP C C 36 175.000 175.256 -0.256 1
2 294 . 4 1 1 A 36 36 ASP CA C 36 55.200 52.793 2.407 1
2 295 . 4 1 1 A 36 36 ASP CB C 36 43.400 42.704 0.696 1
2 296 . 4 1 1 A 36 36 ASP N N 36 115.400 117.096 -1.696 1
2 297 . 4 1 1 A 37 37 ASP H H 37 8.330 8.416 -0.086 1
2 298 . 4 1 1 A 37 37 ASP HA H 37 3.940 4.737 -0.797 1
2 301 . 4 1 1 A 37 37 ASP C C 37 176.400 176.700 -0.300 1
2 302 . 4 1 1 A 37 37 ASP CA C 37 52.200 52.581 -0.381 1
2 303 . 4 1 1 A 37 37 ASP CB C 37 39.900 39.364 0.536 1
2 304 . 4 1 1 A 37 37 ASP N N 37 128.400 123.661 4.739 1
2 305 . 4 1 1 A 38 38 SER H H 38 8.470 8.254 0.216 1
2 306 . 4 1 1 A 38 38 SER HA H 38 4.210 4.605 -0.395 1
2 309 . 4 1 1 A 38 38 SER C C 38 175.300 174.561 0.739 1
2 310 . 4 1 1 A 38 38 SER CA C 38 61.600 60.087 1.513 1
2 311 . 4 1 1 A 38 38 SER CB C 38 64.100 64.723 -0.623 1
2 312 . 4 1 1 A 38 38 SER N N 38 115.700 114.980 0.720 1
2 313 . 4 1 1 A 39 39 LYS H H 39 8.440 7.692 0.748 1
2 314 . 4 1 1 A 39 39 LYS HA H 39 4.910 4.458 0.452 1
2 317 . 4 1 1 A 39 39 LYS C C 39 175.900 177.760 -1.860 1
2 318 . 4 1 1 A 39 39 LYS CA C 39 55.000 56.076 -1.076 1
2 319 . 4 1 1 A 39 39 LYS CB C 39 34.300 33.387 0.913 1
2 320 . 4 1 1 A 39 39 LYS N N 39 122.300 120.846 1.454 1
2 321 . 4 1 1 A 40 40 SER H H 40 8.360 8.922 -0.562 1
2 322 . 4 1 1 A 40 40 SER HA H 40 4.310 4.196 0.114 1
2 325 . 4 1 1 A 40 40 SER C C 40 175.200 174.376 0.824 1
2 326 . 4 1 1 A 40 40 SER CA C 40 60.900 61.842 -0.942 1
2 327 . 4 1 1 A 40 40 SER CB C 40 63.100 63.144 -0.044 1
2 328 . 4 1 1 A 40 40 SER N N 40 112.600 117.956 -5.356 1
2 329 . 4 1 1 A 41 41 TRP H H 41 7.440 8.148 -0.708 1
2 330 . 4 1 1 A 41 41 TRP HA H 41 4.840 4.827 0.013 1
2 334 . 4 1 1 A 41 41 TRP C C 41 175.500 176.377 -0.877 1
2 335 . 4 1 1 A 41 41 TRP CA C 41 56.800 56.508 0.292 1
2 336 . 4 1 1 A 41 41 TRP CB C 41 29.600 29.893 -0.293 1
2 337 . 4 1 1 A 41 41 TRP N N 41 121.300 119.215 2.085 1
2 339 . 4 1 1 A 42 42 TRP H H 42 9.350 9.211 0.139 1
2 340 . 4 1 1 A 42 42 TRP HA H 42 5.440 5.131 0.309 1
2 344 . 4 1 1 A 42 42 TRP C C 42 175.000 176.081 -1.081 1
2 345 . 4 1 1 A 42 42 TRP CA C 42 54.300 57.456 -3.156 1
2 346 . 4 1 1 A 42 42 TRP CB C 42 30.800 29.323 1.477 1
2 347 . 4 1 1 A 42 42 TRP N N 42 125.400 125.100 0.300 1
2 349 . 4 1 1 A 43 43 ARG H H 43 8.810 9.331 -0.521 1
2 350 . 4 1 1 A 43 43 ARG HA H 43 4.530 4.671 -0.141 1
2 354 . 4 1 1 A 43 43 ARG C C 43 175.600 176.119 -0.519 1
2 355 . 4 1 1 A 43 43 ARG CA C 43 55.400 56.137 -0.737 1
2 356 . 4 1 1 A 43 43 ARG CB C 43 32.200 30.280 1.920 1
2 357 . 4 1 1 A 43 43 ARG N N 43 124.200 126.309 -2.109 1
2 359 . 4 1 1 A 44 44 VAL H H 44 9.210 8.742 0.468 1
2 360 . 4 1 1 A 44 44 VAL HA H 44 5.510 5.173 0.337 1
2 362 . 4 1 1 A 44 44 VAL C C 44 172.800 173.529 -0.729 1
2 363 . 4 1 1 A 44 44 VAL CA C 44 58.800 58.762 0.038 1
2 364 . 4 1 1 A 44 44 VAL CB C 44 36.600 36.248 0.352 1
2 365 . 4 1 1 A 44 44 VAL N N 44 121.400 119.242 2.158 1
2 366 . 4 1 1 A 45 45 ARG H H 45 9.260 9.235 0.025 1
2 367 . 4 1 1 A 45 45 ARG HA H 45 5.510 5.354 0.156 1
2 371 . 4 1 1 A 45 45 ARG C C 45 175.700 174.202 1.498 1
2 372 . 4 1 1 A 45 45 ARG CA C 45 53.700 54.028 -0.328 1
2 373 . 4 1 1 A 45 45 ARG CB C 45 35.400 34.137 1.263 1
2 374 . 4 1 1 A 45 45 ARG N N 45 120.000 121.897 -1.897 1
2 376 . 4 1 1 A 46 46 ASN H H 46 8.820 9.006 -0.186 1
2 377 . 4 1 1 A 46 46 ASN HA H 46 5.470 5.306 0.164 1
2 382 . 4 1 1 A 46 46 ASN C C 46 178.500 177.073 1.427 1
2 383 . 4 1 1 A 46 46 ASN CA C 46 50.600 51.577 -0.977 1
2 384 . 4 1 1 A 46 46 ASN CB C 46 41.000 41.411 -0.411 1
2 385 . 4 1 1 A 46 46 ASN N N 46 123.300 124.272 -0.972 1
2 387 . 4 1 1 A 47 47 SER H H 47 9.730 9.037 0.693 1
2 388 . 4 1 1 A 47 47 SER HA H 47 4.320 4.521 -0.201 1
2 391 . 4 1 1 A 47 47 SER C C 47 175.200 175.258 -0.058 1
2 392 . 4 1 1 A 47 47 SER CA C 47 61.500 61.387 0.113 1
2 393 . 4 1 1 A 47 47 SER CB C 47 63.100 63.260 -0.160 1
2 394 . 4 1 1 A 47 47 SER N N 47 115.000 118.492 -3.492 1
2 395 . 4 1 1 A 48 48 MET H H 48 7.650 8.026 -0.376 1
2 396 . 4 1 1 A 48 48 MET HA H 48 4.730 4.594 0.136 1
2 399 . 4 1 1 A 48 48 MET C C 48 175.800 176.158 -0.358 1
2 400 . 4 1 1 A 48 48 MET CA C 48 54.500 55.783 -1.283 1
2 401 . 4 1 1 A 48 48 MET CB C 48 31.600 33.286 -1.686 1
2 402 . 4 1 1 A 48 48 MET N N 48 120.300 119.407 0.893 1
2 403 . 4 1 1 A 49 49 ASN H H 49 8.430 8.029 0.401 1
2 404 . 4 1 1 A 49 49 ASN HA H 49 4.210 4.437 -0.227 1
2 409 . 4 1 1 A 49 49 ASN C C 49 174.200 174.241 -0.041 1
2 410 . 4 1 1 A 49 49 ASN CA C 49 54.900 54.337 0.563 1
2 411 . 4 1 1 A 49 49 ASN CB C 49 37.100 36.523 0.577 1
2 412 . 4 1 1 A 49 49 ASN N N 49 113.400 117.013 -3.613 1
2 414 . 4 1 1 A 50 50 LYS H H 50 8.090 7.911 0.179 1
2 415 . 4 1 1 A 50 50 LYS HA H 50 4.560 4.427 0.133 1
2 418 . 4 1 1 A 50 50 LYS C C 50 175.500 175.457 0.043 1
2 419 . 4 1 1 A 50 50 LYS CA C 50 55.600 56.183 -0.583 1
2 420 . 4 1 1 A 50 50 LYS CB C 50 33.300 34.137 -0.837 1
2 421 . 4 1 1 A 50 50 LYS N N 50 121.000 120.452 0.548 1
2 422 . 4 1 1 A 51 51 THR H H 51 8.310 8.663 -0.353 1
2 423 . 4 1 1 A 51 51 THR HA H 51 5.730 5.268 0.462 1
2 425 . 4 1 1 A 51 51 THR C C 51 174.600 173.707 0.893 1
2 426 . 4 1 1 A 51 51 THR CA C 51 59.300 60.175 -0.875 1
2 427 . 4 1 1 A 51 51 THR CB C 51 71.900 73.029 -1.129 1
2 428 . 4 1 1 A 51 51 THR N N 51 113.800 115.522 -1.722 1
2 429 . 4 1 1 A 52 52 GLY H H 52 8.630 8.070 0.560 1
2 430 . 4 1 1 A 52 52 GLY HA2 H 52 4.090 4.133 -0.043 1
2 431 . 4 1 1 A 52 52 GLY HA3 H 52 3.920 4.194 -0.274 1
2 432 . 4 1 1 A 52 52 GLY C C 52 170.500 171.460 -0.960 1
2 433 . 4 1 1 A 52 52 GLY CA C 52 45.600 45.796 -0.196 1
2 434 . 4 1 1 A 52 52 GLY N N 52 107.900 109.811 -1.911 1
2 435 . 4 1 1 A 53 53 PHE H H 53 9.030 8.692 0.338 1
2 436 . 4 1 1 A 53 53 PHE HA H 53 5.850 5.191 0.659 1
2 439 . 4 1 1 A 53 53 PHE C C 53 176.400 175.850 0.550 1
2 440 . 4 1 1 A 53 53 PHE CA C 53 58.000 57.934 0.066 1
2 441 . 4 1 1 A 53 53 PHE CB C 53 42.800 40.909 1.891 1
2 442 . 4 1 1 A 53 53 PHE N N 53 118.200 119.481 -1.281 1
2 443 . 4 1 1 A 54 54 VAL H H 54 9.150 9.027 0.123 1
2 444 . 4 1 1 A 54 54 VAL HA H 54 4.790 5.062 -0.272 1
2 445 . 4 1 1 A 54 54 VAL CA C 54 57.600 58.304 -0.704 1
2 446 . 4 1 1 A 54 54 VAL CB C 54 33.300 34.813 -1.513 1
2 447 . 4 1 1 A 54 54 VAL N N 54 112.100 117.540 -5.440 1
2 448 . 4 1 1 A 57 57 ASN HA H 57 4.480 4.465 0.015 1
2 453 . 4 1 1 A 57 57 ASN C C 57 175.500 176.189 -0.689 1
2 454 . 4 1 1 A 57 57 ASN CA C 57 53.900 54.964 -1.064 1
2 455 . 4 1 1 A 57 57 ASN CB C 57 36.600 38.727 -2.127 1
2 457 . 4 1 1 A 58 58 TYR H H 58 7.950 7.760 0.190 1
2 458 . 4 1 1 A 58 58 TYR HA H 58 4.460 4.717 -0.257 1
2 461 . 4 1 1 A 58 58 TYR C C 58 175.200 175.782 -0.582 1
2 462 . 4 1 1 A 58 58 TYR CA C 58 59.100 58.948 0.152 1
2 463 . 4 1 1 A 58 58 TYR CB C 58 38.100 39.892 -1.792 1
2 464 . 4 1 1 A 58 58 TYR N N 58 118.400 116.893 1.507 1
2 465 . 4 1 1 A 59 59 VAL H H 59 7.300 7.464 -0.164 1
2 466 . 4 1 1 A 59 59 VAL HA H 59 5.080 4.857 0.223 1
2 468 . 4 1 1 A 59 59 VAL C C 59 173.100 174.240 -1.140 1
2 469 . 4 1 1 A 59 59 VAL CA C 59 58.700 59.342 -0.642 1
2 470 . 4 1 1 A 59 59 VAL CB C 59 35.500 35.531 -0.031 1
2 471 . 4 1 1 A 59 59 VAL N N 59 111.800 114.490 -2.690 1
2 472 . 4 1 1 A 60 60 GLU H H 60 8.680 8.721 -0.041 1
2 473 . 4 1 1 A 60 60 GLU HA H 60 4.790 4.759 0.031 1
2 476 . 4 1 1 A 60 60 GLU C C 60 175.600 175.059 0.541 1
2 477 . 4 1 1 A 60 60 GLU CA C 60 54.400 56.007 -1.607 1
2 478 . 4 1 1 A 60 60 GLU CB C 60 33.300 33.430 -0.130 1
2 479 . 4 1 1 A 60 60 GLU N N 60 118.900 120.937 -2.037 1
2 480 . 4 1 1 A 61 61 ARG H H 61 9.070 8.773 0.297 1
2 481 . 4 1 1 A 61 61 ARG HA H 61 4.540 4.506 0.034 1
2 485 . 4 1 1 A 61 61 ARG C C 61 175.900 175.738 0.162 1
2 486 . 4 1 1 A 61 61 ARG CA C 61 56.500 56.302 0.198 1
2 487 . 4 1 1 A 61 61 ARG CB C 61 31.200 30.571 0.629 1
2 488 . 4 1 1 A 61 61 ARG N N 61 125.400 124.496 0.904 1
2 490 . 4 1 1 A 62 62 LYS H H 62 8.540 8.757 -0.217 1
2 491 . 4 1 1 A 62 62 LYS HA H 62 4.370 4.263 0.107 1
2 494 . 4 1 1 A 62 62 LYS C C 62 176.000 176.305 -0.305 1
2 495 . 4 1 1 A 62 62 LYS CA C 62 55.900 56.325 -0.425 1
2 496 . 4 1 1 A 62 62 LYS CB C 62 33.200 33.563 -0.363 1
2 497 . 4 1 1 A 62 62 LYS N N 62 124.400 123.738 0.662 1
2 498 . 4 1 1 A 63 63 ASN H H 63 8.650 8.554 0.096 1
2 499 . 4 1 1 A 63 63 ASN HA H 63 4.740 4.866 -0.126 1
2 504 . 4 1 1 A 63 63 ASN C C 63 175.300 175.614 -0.314 1
2 505 . 4 1 1 A 63 63 ASN CA C 63 53.300 51.989 1.311 1
2 506 . 4 1 1 A 63 63 ASN CB C 63 39.000 37.203 1.797 1
2 507 . 4 1 1 A 63 63 ASN N N 63 121.200 121.495 -0.295 1
2 509 . 4 1 1 A 64 64 SER H H 64 8.370 8.147 0.223 1
2 510 . 4 1 1 A 64 64 SER HA H 64 4.420 4.487 -0.067 1
2 513 . 4 1 1 A 64 64 SER C C 64 174.300 174.569 -0.269 1
2 514 . 4 1 1 A 64 64 SER CA C 64 58.400 58.168 0.232 1
2 515 . 4 1 1 A 64 64 SER CB C 64 63.900 62.960 0.940 1
2 516 . 4 1 1 A 64 64 SER N N 64 116.900 116.164 0.736 1
2 517 . 4 1 1 A 65 65 ALA H H 65 8.370 7.901 0.469 1
2 518 . 4 1 1 A 65 65 ALA HA H 65 4.330 4.524 -0.194 1
2 522 . 4 1 1 A 65 65 ALA C C 65 177.800 176.689 1.111 1
2 523 . 4 1 1 A 65 65 ALA CA C 65 52.700 51.080 1.620 1
2 524 . 4 1 1 A 65 65 ALA CB C 65 19.300 19.491 -0.191 1
2 525 . 4 1 1 A 65 65 ALA N N 65 126.000 124.408 1.592 1
2 526 . 4 1 1 A 66 66 ARG H H 66 8.230 7.417 0.813 1
2 527 . 4 1 1 A 66 66 ARG HA H 66 4.300 4.476 -0.176 1
2 531 . 4 1 1 A 66 66 ARG C C 66 176.100 175.965 0.135 1
2 532 . 4 1 1 A 66 66 ARG CA C 66 56.000 55.555 0.445 1
2 533 . 4 1 1 A 66 66 ARG CB C 66 30.800 30.962 -0.162 1
2 534 . 4 1 1 A 66 66 ARG N N 66 120.400 118.456 1.944 1
2 536 . 4 1 1 A 67 67 ALA H H 67 8.290 8.836 -0.546 1
2 537 . 4 1 1 A 67 67 ALA HA H 67 4.290 4.175 0.115 1
2 541 . 4 1 1 A 67 67 ALA C C 67 177.600 179.284 -1.684 1
2 542 . 4 1 1 A 67 67 ALA CA C 67 52.500 54.755 -2.255 1
2 543 . 4 1 1 A 67 67 ALA CB C 67 19.200 18.858 0.342 1
2 544 . 4 1 1 A 67 67 ALA N N 67 125.700 125.135 0.565 1
2 545 . 4 1 1 A 68 68 ALA H H 68 8.270 7.834 0.436 1
2 546 . 4 1 1 A 68 68 ALA HA H 68 4.290 4.067 0.223 1
2 550 . 4 1 1 A 68 68 ALA C C 68 178.600 178.662 -0.062 1
2 551 . 4 1 1 A 68 68 ALA CA C 68 52.400 55.347 -2.947 1
2 552 . 4 1 1 A 68 68 ALA CB C 68 19.200 18.883 0.317 1
2 553 . 4 1 1 A 68 68 ALA N N 68 123.100 119.363 3.737 1
2 554 . 4 1 1 A 69 69 ALA H H 69 8.260 7.653 0.607 1
2 555 . 4 1 1 A 69 69 ALA HA H 69 4.300 4.341 -0.041 1
2 559 . 4 1 1 A 69 69 ALA C C 69 177.600 177.702 -0.102 1
2 560 . 4 1 1 A 69 69 ALA CA C 69 52.500 51.728 0.772 1
2 561 . 4 1 1 A 69 69 ALA CB C 69 19.200 19.045 0.155 1
2 562 . 4 1 1 A 69 69 ALA N N 69 123.500 118.660 4.840 1
2 563 . 4 1 1 A 70 70 ASN H H 70 8.390 9.300 -0.910 1
2 564 . 4 1 1 A 70 70 ASN HA H 70 4.750 4.672 0.078 1
2 567 . 4 1 1 A 70 70 ASN C C 70 175.200 174.615 0.585 1
2 568 . 4 1 1 A 70 70 ASN CA C 70 53.300 55.296 -1.996 1
2 569 . 4 1 1 A 70 70 ASN CB C 70 39.000 37.298 1.702 1
2 570 . 4 1 1 A 70 70 ASN N N 70 117.500 120.932 -3.432 1
2 571 . 4 1 1 A 71 71 SER H H 71 8.240 8.905 -0.665 1
2 572 . 4 1 1 A 71 71 SER HA H 71 4.520 4.098 0.422 1
2 575 . 4 1 1 A 71 71 SER C C 71 173.700 174.577 -0.877 1
2 576 . 4 1 1 A 71 71 SER CA C 71 58.400 58.853 -0.453 1
2 577 . 4 1 1 A 71 71 SER CB C 71 64.200 61.909 2.291 1
2 578 . 4 1 1 A 71 71 SER N N 71 116.200 112.639 3.561 1
2 5 . 5 1 1 A 2 2 SER H H 2 8.720 8.602 0.118 1
2 6 . 5 1 1 A 2 2 SER HA H 2 4.600 5.411 -0.811 1
2 9 . 5 1 1 A 2 2 SER C C 2 174.800 173.403 1.397 1
2 10 . 5 1 1 A 2 2 SER CA C 2 58.300 56.946 1.354 1
2 11 . 5 1 1 A 2 2 SER CB C 2 64.000 65.052 -1.052 1
2 12 . 5 1 1 A 2 2 SER N N 2 115.900 116.579 -0.679 1
2 13 . 5 1 1 A 3 3 THR H H 3 8.340 9.064 -0.724 1
2 14 . 5 1 1 A 3 3 THR HA H 3 4.390 4.292 0.098 1
2 16 . 5 1 1 A 3 3 THR C C 3 174.600 174.103 0.497 1
2 17 . 5 1 1 A 3 3 THR CA C 3 62.000 63.499 -1.499 1
2 18 . 5 1 1 A 3 3 THR CB C 3 69.800 68.473 1.327 1
2 19 . 5 1 1 A 3 3 THR N N 3 116.100 121.029 -4.929 1
2 20 . 5 1 1 A 4 4 MET H H 4 8.430 8.690 -0.260 1
2 21 . 5 1 1 A 4 4 MET HA H 4 4.460 4.748 -0.288 1
2 24 . 5 1 1 A 4 4 MET C C 4 175.800 176.867 -1.067 1
2 25 . 5 1 1 A 4 4 MET CA C 4 55.600 56.225 -0.625 1
2 26 . 5 1 1 A 4 4 MET CB C 4 33.000 35.051 -2.051 1
2 27 . 5 1 1 A 4 4 MET N N 4 122.900 125.014 -2.114 1
2 28 . 5 1 1 A 5 5 ALA H H 5 8.330 8.154 0.176 1
2 29 . 5 1 1 A 5 5 ALA HA H 5 4.310 4.117 0.193 1
2 33 . 5 1 1 A 5 5 ALA C C 5 177.500 178.046 -0.546 1
2 34 . 5 1 1 A 5 5 ALA CA C 5 52.600 54.563 -1.963 1
2 35 . 5 1 1 A 5 5 ALA CB C 5 19.200 19.225 -0.025 1
2 36 . 5 1 1 A 5 5 ALA N N 5 125.600 120.607 4.993 1
2 37 . 5 1 1 A 6 6 GLU H H 6 8.220 8.076 0.144 1
2 38 . 5 1 1 A 6 6 GLU HA H 6 4.310 4.302 0.008 1
2 41 . 5 1 1 A 6 6 GLU C C 6 176.200 174.676 1.524 1
2 42 . 5 1 1 A 6 6 GLU CA C 6 56.100 57.303 -1.203 1
2 43 . 5 1 1 A 6 6 GLU CB C 6 30.600 28.704 1.896 1
2 44 . 5 1 1 A 6 6 GLU N N 6 119.900 117.520 2.380 1
2 45 . 5 1 1 A 7 7 GLU H H 7 8.450 9.028 -0.578 1
2 46 . 5 1 1 A 7 7 GLU HA H 7 4.440 4.811 -0.371 1
2 49 . 5 1 1 A 7 7 GLU C C 7 176.000 175.712 0.288 1
2 50 . 5 1 1 A 7 7 GLU CA C 7 56.500 55.961 0.539 1
2 51 . 5 1 1 A 7 7 GLU CB C 7 30.700 30.722 -0.022 1
2 52 . 5 1 1 A 7 7 GLU N N 7 122.400 125.717 -3.317 1
2 53 . 5 1 1 A 8 8 VAL H H 8 8.490 8.230 0.260 1
2 54 . 5 1 1 A 8 8 VAL HA H 8 4.210 4.934 -0.724 1
2 56 . 5 1 1 A 8 8 VAL C C 8 175.900 175.535 0.365 1
2 57 . 5 1 1 A 8 8 VAL CA C 8 62.200 61.219 0.981 1
2 58 . 5 1 1 A 8 8 VAL CB C 8 33.300 35.184 -1.884 1
2 59 . 5 1 1 A 8 8 VAL N N 8 123.400 125.670 -2.270 1
2 60 . 5 1 1 A 9 9 VAL H H 9 8.360 8.907 -0.547 1
2 61 . 5 1 1 A 9 9 VAL HA H 9 4.430 5.056 -0.626 1
2 63 . 5 1 1 A 9 9 VAL C C 9 176.300 174.545 1.755 1
2 64 . 5 1 1 A 9 9 VAL CA C 9 61.700 59.196 2.504 1
2 65 . 5 1 1 A 9 9 VAL CB C 9 33.000 34.985 -1.985 1
2 66 . 5 1 1 A 9 9 VAL N N 9 126.800 121.198 5.602 1
2 67 . 5 1 1 A 10 10 VAL H H 10 8.900 8.755 0.145 1
2 68 . 5 1 1 A 10 10 VAL HA H 10 4.980 5.451 -0.471 1
2 70 . 5 1 1 A 10 10 VAL C C 10 173.400 173.499 -0.099 1
2 71 . 5 1 1 A 10 10 VAL CA C 10 58.300 59.242 -0.942 1
2 72 . 5 1 1 A 10 10 VAL CB C 10 35.100 35.447 -0.347 1
2 73 . 5 1 1 A 10 10 VAL N N 10 119.700 119.493 0.207 1
2 74 . 5 1 1 A 11 11 VAL H H 11 8.550 9.210 -0.660 1
2 75 . 5 1 1 A 11 11 VAL HA H 11 5.000 4.783 0.217 1
2 77 . 5 1 1 A 11 11 VAL C C 11 176.700 174.813 1.887 1
2 78 . 5 1 1 A 11 11 VAL CA C 11 59.600 59.835 -0.235 1
2 79 . 5 1 1 A 11 11 VAL CB C 11 35.100 34.234 0.866 1
2 80 . 5 1 1 A 11 11 VAL N N 11 118.700 122.200 -3.500 1
2 81 . 5 1 1 A 12 12 ALA H H 12 8.770 9.077 -0.307 1
2 82 . 5 1 1 A 12 12 ALA HA H 12 4.580 4.713 -0.133 1
2 86 . 5 1 1 A 12 12 ALA C C 12 178.600 178.858 -0.258 1
2 87 . 5 1 1 A 12 12 ALA CA C 12 52.800 52.960 -0.160 1
2 88 . 5 1 1 A 12 12 ALA CB C 12 19.900 19.233 0.667 1
2 89 . 5 1 1 A 12 12 ALA N N 12 128.500 130.638 -2.138 1
2 90 . 5 1 1 A 13 13 LYS H H 13 9.370 8.727 0.643 1
2 91 . 5 1 1 A 13 13 LYS HA H 13 3.850 4.265 -0.415 1
2 94 . 5 1 1 A 13 13 LYS C C 13 174.700 175.895 -1.195 1
2 95 . 5 1 1 A 13 13 LYS CA C 13 57.300 56.671 0.629 1
2 96 . 5 1 1 A 13 13 LYS CB C 13 33.800 33.315 0.485 1
2 97 . 5 1 1 A 13 13 LYS N N 13 126.700 119.592 7.108 1
2 98 . 5 1 1 A 14 14 PHE H H 14 7.140 7.769 -0.629 1
2 99 . 5 1 1 A 14 14 PHE HA H 14 4.800 5.085 -0.285 1
2 102 . 5 1 1 A 14 14 PHE C C 14 173.600 174.264 -0.664 1
2 103 . 5 1 1 A 14 14 PHE CA C 14 53.700 56.668 -2.968 1
2 104 . 5 1 1 A 14 14 PHE CB C 14 43.700 43.506 0.194 1
2 105 . 5 1 1 A 14 14 PHE N N 14 111.600 118.161 -6.561 1
2 106 . 5 1 1 A 15 15 ASP H H 15 8.360 9.025 -0.665 1
2 107 . 5 1 1 A 15 15 ASP HA H 15 4.790 5.756 -0.966 1
2 110 . 5 1 1 A 15 15 ASP C C 15 176.400 173.847 2.553 1
2 111 . 5 1 1 A 15 15 ASP CA C 15 54.700 52.505 2.195 1
2 112 . 5 1 1 A 15 15 ASP CB C 15 41.600 43.867 -2.267 1
2 113 . 5 1 1 A 15 15 ASP N N 15 117.400 118.663 -1.263 1
2 114 . 5 1 1 A 16 16 TYR H H 16 8.860 8.857 0.003 1
2 115 . 5 1 1 A 16 16 TYR HA H 16 4.750 5.065 -0.315 1
2 118 . 5 1 1 A 16 16 TYR C C 16 173.700 173.570 0.130 1
2 119 . 5 1 1 A 16 16 TYR CA C 16 59.500 56.867 2.633 1
2 120 . 5 1 1 A 16 16 TYR CB C 16 41.500 42.107 -0.607 1
2 121 . 5 1 1 A 16 16 TYR N N 16 121.000 122.497 -1.497 1
2 122 . 5 1 1 A 17 17 VAL H H 17 7.180 8.257 -1.077 1
2 123 . 5 1 1 A 17 17 VAL HA H 17 4.150 4.200 -0.050 1
2 125 . 5 1 1 A 17 17 VAL C C 17 174.500 175.140 -0.640 1
2 126 . 5 1 1 A 17 17 VAL CA C 17 60.600 60.828 -0.228 1
2 127 . 5 1 1 A 17 17 VAL CB C 17 32.300 32.816 -0.516 1
2 128 . 5 1 1 A 17 17 VAL N N 17 129.100 123.826 5.274 1
2 129 . 5 1 1 A 18 18 ALA H H 18 8.640 8.161 0.479 1
2 130 . 5 1 1 A 18 18 ALA HA H 18 4.230 4.350 -0.120 1
2 134 . 5 1 1 A 18 18 ALA C C 18 179.100 177.988 1.112 1
2 135 . 5 1 1 A 18 18 ALA CA C 18 53.300 52.319 0.981 1
2 136 . 5 1 1 A 18 18 ALA CB C 18 19.900 19.351 0.549 1
2 137 . 5 1 1 A 18 18 ALA N N 18 128.900 131.326 -2.426 1
2 138 . 5 1 1 A 19 19 GLN H H 19 9.080 8.658 0.422 1
2 139 . 5 1 1 A 19 19 GLN HA H 19 4.320 3.970 0.350 1
2 144 . 5 1 1 A 19 19 GLN C C 19 175.500 176.965 -1.465 1
2 145 . 5 1 1 A 19 19 GLN CA C 19 55.100 59.779 -4.679 1
2 146 . 5 1 1 A 19 19 GLN CB C 19 31.200 29.017 2.183 1
2 148 . 5 1 1 A 19 19 GLN N N 19 120.400 124.912 -4.512 1
2 150 . 5 1 1 A 20 20 GLN H H 20 7.220 8.162 -0.942 1
2 151 . 5 1 1 A 20 20 GLN HA H 20 4.590 4.384 0.206 1
2 156 . 5 1 1 A 20 20 GLN C C 20 176.800 176.811 -0.011 1
2 157 . 5 1 1 A 20 20 GLN CA C 20 53.900 55.356 -1.456 1
2 158 . 5 1 1 A 20 20 GLN CB C 20 32.400 30.432 1.968 1
2 159 . 5 1 1 A 20 20 GLN N N 20 114.500 118.079 -3.579 1
2 161 . 5 1 1 A 21 21 GLU H H 21 8.980 8.945 0.035 1
2 162 . 5 1 1 A 21 21 GLU HA H 21 4.090 4.076 0.014 1
2 164 . 5 1 1 A 21 21 GLU C C 21 176.900 178.976 -2.076 1
2 165 . 5 1 1 A 21 21 GLU CA C 21 59.500 58.708 0.792 1
2 166 . 5 1 1 A 21 21 GLU CB C 21 29.700 29.144 0.556 1
2 167 . 5 1 1 A 21 21 GLU N N 21 121.600 124.081 -2.481 1
2 168 . 5 1 1 A 22 22 GLN H H 22 8.470 7.992 0.478 1
2 169 . 5 1 1 A 22 22 GLN HA H 22 4.540 4.063 0.477 1
2 174 . 5 1 1 A 22 22 GLN C C 22 176.700 176.581 0.119 1
2 175 . 5 1 1 A 22 22 GLN CA C 22 56.700 58.871 -2.171 1
2 176 . 5 1 1 A 22 22 GLN CB C 22 28.000 28.712 -0.712 1
2 178 . 5 1 1 A 22 22 GLN N N 22 113.600 119.346 -5.746 1
2 180 . 5 1 1 A 23 23 GLU H H 23 7.730 7.739 -0.009 1
2 181 . 5 1 1 A 23 23 GLU HA H 23 5.340 4.550 0.790 1
2 184 . 5 1 1 A 23 23 GLU C C 23 174.700 176.085 -1.385 1
2 185 . 5 1 1 A 23 23 GLU CA C 23 55.600 56.993 -1.393 1
2 186 . 5 1 1 A 23 23 GLU CB C 23 32.400 30.975 1.425 1
2 187 . 5 1 1 A 23 23 GLU N N 23 120.200 118.915 1.285 1
2 188 . 5 1 1 A 24 24 LEU H H 24 7.900 8.725 -0.825 1
2 189 . 5 1 1 A 24 24 LEU HA H 24 4.680 5.154 -0.474 1
2 192 . 5 1 1 A 24 24 LEU C C 24 174.300 175.974 -1.674 1
2 193 . 5 1 1 A 24 24 LEU CA C 24 53.200 53.562 -0.362 1
2 194 . 5 1 1 A 24 24 LEU CB C 24 46.500 45.555 0.945 1
2 195 . 5 1 1 A 24 24 LEU N N 24 122.400 122.433 -0.033 1
2 196 . 5 1 1 A 25 25 ASP H H 25 7.640 8.792 -1.152 1
2 197 . 5 1 1 A 25 25 ASP HA H 25 5.160 5.333 -0.173 1
2 200 . 5 1 1 A 25 25 ASP C C 25 176.800 176.270 0.530 1
2 201 . 5 1 1 A 25 25 ASP CA C 25 54.200 53.081 1.119 1
2 202 . 5 1 1 A 25 25 ASP CB C 25 42.300 42.247 0.053 1
2 203 . 5 1 1 A 25 25 ASP N N 25 121.400 121.639 -0.239 1
2 204 . 5 1 1 A 26 26 ILE H H 26 8.930 8.809 0.121 1
2 205 . 5 1 1 A 26 26 ILE HA H 26 5.120 5.226 -0.106 1
2 207 . 5 1 1 A 26 26 ILE C C 26 175.200 174.146 1.054 1
2 208 . 5 1 1 A 26 26 ILE CA C 26 59.700 58.877 0.823 1
2 209 . 5 1 1 A 26 26 ILE CB C 26 42.400 41.960 0.440 1
2 210 . 5 1 1 A 26 26 ILE N N 26 115.600 119.179 -3.579 1
2 211 . 5 1 1 A 27 27 LYS H H 27 8.930 8.741 0.189 1
2 212 . 5 1 1 A 27 27 LYS HA H 27 5.090 4.771 0.319 1
2 215 . 5 1 1 A 27 27 LYS C C 27 175.300 174.625 0.675 1
2 216 . 5 1 1 A 27 27 LYS CA C 27 52.900 55.144 -2.244 1
2 217 . 5 1 1 A 27 27 LYS CB C 27 35.400 36.548 -1.148 1
2 218 . 5 1 1 A 27 27 LYS N N 27 123.000 121.730 1.270 1
2 219 . 5 1 1 A 28 28 LYS H H 28 8.990 8.580 0.410 1
2 220 . 5 1 1 A 28 28 LYS HA H 28 3.110 3.951 -0.841 1
2 222 . 5 1 1 A 28 28 LYS C C 28 177.000 177.316 -0.316 1
2 223 . 5 1 1 A 28 28 LYS CA C 28 59.200 58.301 0.899 1
2 224 . 5 1 1 A 28 28 LYS CB C 28 32.600 32.197 0.403 1
2 225 . 5 1 1 A 28 28 LYS N N 28 121.200 126.505 -5.305 1
2 226 . 5 1 1 A 29 29 ASN H H 29 8.700 9.116 -0.416 1
2 227 . 5 1 1 A 29 29 ASN HA H 29 4.180 4.214 -0.034 1
2 232 . 5 1 1 A 29 29 ASN C C 29 174.200 174.218 -0.018 1
2 233 . 5 1 1 A 29 29 ASN CA C 29 55.900 54.486 1.414 1
2 234 . 5 1 1 A 29 29 ASN CB C 29 37.400 37.190 0.210 1
2 235 . 5 1 1 A 29 29 ASN N N 29 118.300 120.265 -1.965 1
2 237 . 5 1 1 A 30 30 GLU H H 30 8.660 7.444 1.216 1
2 238 . 5 1 1 A 30 30 GLU HA H 30 4.160 4.801 -0.641 1
2 241 . 5 1 1 A 30 30 GLU C C 30 175.200 175.034 0.166 1
2 242 . 5 1 1 A 30 30 GLU CA C 30 57.700 55.166 2.534 1
2 243 . 5 1 1 A 30 30 GLU CB C 30 31.800 32.216 -0.416 1
2 244 . 5 1 1 A 30 30 GLU N N 30 124.200 117.594 6.606 1
2 245 . 5 1 1 A 31 31 ARG H H 31 8.490 8.692 -0.202 1
2 246 . 5 1 1 A 31 31 ARG HA H 31 4.580 4.673 -0.093 1
2 250 . 5 1 1 A 31 31 ARG C C 31 175.000 174.775 0.225 1
2 251 . 5 1 1 A 31 31 ARG CA C 31 56.200 55.775 0.425 1
2 252 . 5 1 1 A 31 31 ARG CB C 31 30.800 30.781 0.019 1
2 253 . 5 1 1 A 31 31 ARG N N 31 125.000 126.362 -1.362 1
2 255 . 5 1 1 A 32 32 LEU H H 32 8.860 9.437 -0.577 1
2 256 . 5 1 1 A 32 32 LEU HA H 32 4.840 4.627 0.213 1
2 259 . 5 1 1 A 32 32 LEU C C 32 174.400 175.566 -1.166 1
2 260 . 5 1 1 A 32 32 LEU CA C 32 53.300 52.907 0.393 1
2 261 . 5 1 1 A 32 32 LEU CB C 32 46.300 44.696 1.604 1
2 262 . 5 1 1 A 32 32 LEU N N 32 125.600 125.399 0.201 1
2 263 . 5 1 1 A 33 33 TRP H H 33 9.160 8.700 0.460 1
2 264 . 5 1 1 A 33 33 TRP HA H 33 5.100 5.245 -0.145 1
2 268 . 5 1 1 A 33 33 TRP C C 33 176.000 175.886 0.114 1
2 269 . 5 1 1 A 33 33 TRP CA C 33 58.300 55.975 2.325 1
2 270 . 5 1 1 A 33 33 TRP CB C 33 31.000 30.439 0.561 1
2 271 . 5 1 1 A 33 33 TRP N N 33 121.000 122.039 -1.039 1
2 273 . 5 1 1 A 34 34 LEU H H 34 9.130 8.632 0.498 1
2 274 . 5 1 1 A 34 34 LEU HA H 34 4.330 4.400 -0.070 1
2 277 . 5 1 1 A 34 34 LEU C C 34 175.400 176.167 -0.767 1
2 278 . 5 1 1 A 34 34 LEU CA C 34 55.600 55.820 -0.220 1
2 279 . 5 1 1 A 34 34 LEU CB C 34 43.700 42.566 1.134 1
2 280 . 5 1 1 A 34 34 LEU N N 34 125.100 126.986 -1.886 1
2 281 . 5 1 1 A 35 35 LEU H H 35 9.020 8.987 0.033 1
2 282 . 5 1 1 A 35 35 LEU HA H 35 4.620 4.427 0.193 1
2 285 . 5 1 1 A 35 35 LEU C C 35 177.400 176.340 1.060 1
2 286 . 5 1 1 A 35 35 LEU CA C 35 55.400 55.853 -0.453 1
2 287 . 5 1 1 A 35 35 LEU CB C 35 42.600 43.118 -0.518 1
2 288 . 5 1 1 A 35 35 LEU N N 35 126.300 126.598 -0.298 1
2 289 . 5 1 1 A 36 36 ASP H H 36 7.460 7.731 -0.271 1
2 290 . 5 1 1 A 36 36 ASP HA H 36 4.760 4.929 -0.169 1
2 293 . 5 1 1 A 36 36 ASP C C 36 175.000 174.499 0.501 1
2 294 . 5 1 1 A 36 36 ASP CA C 36 55.200 53.752 1.448 1
2 295 . 5 1 1 A 36 36 ASP CB C 36 43.400 42.730 0.670 1
2 296 . 5 1 1 A 36 36 ASP N N 36 115.400 117.296 -1.896 1
2 297 . 5 1 1 A 37 37 ASP H H 37 8.330 8.434 -0.104 1
2 298 . 5 1 1 A 37 37 ASP HA H 37 3.940 4.486 -0.546 1
2 301 . 5 1 1 A 37 37 ASP C C 37 176.400 176.544 -0.144 1
2 302 . 5 1 1 A 37 37 ASP CA C 37 52.200 52.413 -0.213 1
2 303 . 5 1 1 A 37 37 ASP CB C 37 39.900 39.246 0.654 1
2 304 . 5 1 1 A 37 37 ASP N N 37 128.400 123.699 4.701 1
2 305 . 5 1 1 A 38 38 SER H H 38 8.470 7.865 0.605 1
2 306 . 5 1 1 A 38 38 SER HA H 38 4.210 4.609 -0.399 1
2 309 . 5 1 1 A 38 38 SER C C 38 175.300 174.889 0.411 1
2 310 . 5 1 1 A 38 38 SER CA C 38 61.600 59.161 2.439 1
2 311 . 5 1 1 A 38 38 SER CB C 38 64.100 64.392 -0.292 1
2 312 . 5 1 1 A 38 38 SER N N 38 115.700 112.883 2.817 1
2 313 . 5 1 1 A 39 39 LYS H H 39 8.440 7.595 0.845 1
2 314 . 5 1 1 A 39 39 LYS HA H 39 4.910 4.469 0.441 1
2 317 . 5 1 1 A 39 39 LYS C C 39 175.900 177.821 -1.921 1
2 318 . 5 1 1 A 39 39 LYS CA C 39 55.000 56.063 -1.063 1
2 319 . 5 1 1 A 39 39 LYS CB C 39 34.300 33.475 0.825 1
2 320 . 5 1 1 A 39 39 LYS N N 39 122.300 122.355 -0.055 1
2 321 . 5 1 1 A 40 40 SER H H 40 8.360 8.930 -0.570 1
2 322 . 5 1 1 A 40 40 SER HA H 40 4.310 4.225 0.085 1
2 325 . 5 1 1 A 40 40 SER C C 40 175.200 174.302 0.898 1
2 326 . 5 1 1 A 40 40 SER CA C 40 60.900 61.880 -0.980 1
2 327 . 5 1 1 A 40 40 SER CB C 40 63.100 63.352 -0.252 1
2 328 . 5 1 1 A 40 40 SER N N 40 112.600 117.987 -5.387 1
2 329 . 5 1 1 A 41 41 TRP H H 41 7.440 8.219 -0.779 1
2 330 . 5 1 1 A 41 41 TRP HA H 41 4.840 4.885 -0.045 1
2 334 . 5 1 1 A 41 41 TRP C C 41 175.500 176.626 -1.126 1
2 335 . 5 1 1 A 41 41 TRP CA C 41 56.800 56.698 0.102 1
2 336 . 5 1 1 A 41 41 TRP CB C 41 29.600 29.889 -0.289 1
2 337 . 5 1 1 A 41 41 TRP N N 41 121.300 118.857 2.443 1
2 339 . 5 1 1 A 42 42 TRP H H 42 9.350 9.060 0.290 1
2 340 . 5 1 1 A 42 42 TRP HA H 42 5.440 5.111 0.329 1
2 344 . 5 1 1 A 42 42 TRP C C 42 175.000 176.035 -1.035 1
2 345 . 5 1 1 A 42 42 TRP CA C 42 54.300 57.432 -3.132 1
2 346 . 5 1 1 A 42 42 TRP CB C 42 30.800 29.285 1.515 1
2 347 . 5 1 1 A 42 42 TRP N N 42 125.400 125.210 0.190 1
2 349 . 5 1 1 A 43 43 ARG H H 43 8.810 9.004 -0.194 1
2 350 . 5 1 1 A 43 43 ARG HA H 43 4.530 4.634 -0.104 1
2 354 . 5 1 1 A 43 43 ARG C C 43 175.600 176.077 -0.477 1
2 355 . 5 1 1 A 43 43 ARG CA C 43 55.400 55.989 -0.589 1
2 356 . 5 1 1 A 43 43 ARG CB C 43 32.200 30.137 2.063 1
2 357 . 5 1 1 A 43 43 ARG N N 43 124.200 126.451 -2.251 1
2 359 . 5 1 1 A 44 44 VAL H H 44 9.210 8.726 0.484 1
2 360 . 5 1 1 A 44 44 VAL HA H 44 5.510 5.039 0.471 1
2 362 . 5 1 1 A 44 44 VAL C C 44 172.800 173.996 -1.196 1
2 363 . 5 1 1 A 44 44 VAL CA C 44 58.800 58.760 0.040 1
2 364 . 5 1 1 A 44 44 VAL CB C 44 36.600 36.245 0.355 1
2 365 . 5 1 1 A 44 44 VAL N N 44 121.400 119.357 2.043 1
2 366 . 5 1 1 A 45 45 ARG H H 45 9.260 9.257 0.003 1
2 367 . 5 1 1 A 45 45 ARG HA H 45 5.510 5.334 0.176 1
2 371 . 5 1 1 A 45 45 ARG C C 45 175.700 174.225 1.475 1
2 372 . 5 1 1 A 45 45 ARG CA C 45 53.700 53.793 -0.093 1
2 373 . 5 1 1 A 45 45 ARG CB C 45 35.400 33.958 1.442 1
2 374 . 5 1 1 A 45 45 ARG N N 45 120.000 121.750 -1.750 1
2 376 . 5 1 1 A 46 46 ASN H H 46 8.820 9.164 -0.344 1
2 377 . 5 1 1 A 46 46 ASN HA H 46 5.470 5.410 0.060 1
2 382 . 5 1 1 A 46 46 ASN C C 46 178.500 177.000 1.500 1
2 383 . 5 1 1 A 46 46 ASN CA C 46 50.600 51.275 -0.675 1
2 384 . 5 1 1 A 46 46 ASN CB C 46 41.000 41.624 -0.624 1
2 385 . 5 1 1 A 46 46 ASN N N 46 123.300 123.203 0.097 1
2 387 . 5 1 1 A 47 47 SER H H 47 9.730 9.040 0.690 1
2 388 . 5 1 1 A 47 47 SER HA H 47 4.320 4.462 -0.142 1
2 391 . 5 1 1 A 47 47 SER C C 47 175.200 175.682 -0.482 1
2 392 . 5 1 1 A 47 47 SER CA C 47 61.500 61.682 -0.182 1
2 393 . 5 1 1 A 47 47 SER CB C 47 63.100 62.947 0.153 1
2 394 . 5 1 1 A 47 47 SER N N 47 115.000 118.578 -3.578 1
2 395 . 5 1 1 A 48 48 MET H H 48 7.650 8.026 -0.376 1
2 396 . 5 1 1 A 48 48 MET HA H 48 4.730 4.582 0.148 1
2 399 . 5 1 1 A 48 48 MET C C 48 175.800 176.182 -0.382 1
2 400 . 5 1 1 A 48 48 MET CA C 48 54.500 55.825 -1.325 1
2 401 . 5 1 1 A 48 48 MET CB C 48 31.600 33.312 -1.712 1
2 402 . 5 1 1 A 48 48 MET N N 48 120.300 119.168 1.132 1
2 403 . 5 1 1 A 49 49 ASN H H 49 8.430 8.137 0.293 1
2 404 . 5 1 1 A 49 49 ASN HA H 49 4.210 4.443 -0.233 1
2 409 . 5 1 1 A 49 49 ASN C C 49 174.200 174.242 -0.042 1
2 410 . 5 1 1 A 49 49 ASN CA C 49 54.900 54.341 0.559 1
2 411 . 5 1 1 A 49 49 ASN CB C 49 37.100 36.528 0.572 1
2 412 . 5 1 1 A 49 49 ASN N N 49 113.400 117.011 -3.611 1
2 414 . 5 1 1 A 50 50 LYS H H 50 8.090 7.849 0.241 1
2 415 . 5 1 1 A 50 50 LYS HA H 50 4.560 4.374 0.186 1
2 418 . 5 1 1 A 50 50 LYS C C 50 175.500 175.696 -0.196 1
2 419 . 5 1 1 A 50 50 LYS CA C 50 55.600 56.407 -0.807 1
2 420 . 5 1 1 A 50 50 LYS CB C 50 33.300 33.511 -0.211 1
2 421 . 5 1 1 A 50 50 LYS N N 50 121.000 120.732 0.268 1
2 422 . 5 1 1 A 51 51 THR H H 51 8.310 8.641 -0.331 1
2 423 . 5 1 1 A 51 51 THR HA H 51 5.730 5.304 0.426 1
2 425 . 5 1 1 A 51 51 THR C C 51 174.600 174.317 0.283 1
2 426 . 5 1 1 A 51 51 THR CA C 51 59.300 59.786 -0.486 1
2 427 . 5 1 1 A 51 51 THR CB C 51 71.900 72.743 -0.843 1
2 428 . 5 1 1 A 51 51 THR N N 51 113.800 116.865 -3.065 1
2 429 . 5 1 1 A 52 52 GLY H H 52 8.630 8.089 0.541 1
2 430 . 5 1 1 A 52 52 GLY HA2 H 52 4.090 4.273 -0.183 1
2 431 . 5 1 1 A 52 52 GLY HA3 H 52 3.920 4.318 -0.398 1
2 432 . 5 1 1 A 52 52 GLY C C 52 170.500 171.452 -0.952 1
2 433 . 5 1 1 A 52 52 GLY CA C 52 45.600 45.979 -0.379 1
2 434 . 5 1 1 A 52 52 GLY N N 52 107.900 110.460 -2.560 1
2 435 . 5 1 1 A 53 53 PHE H H 53 9.030 8.735 0.295 1
2 436 . 5 1 1 A 53 53 PHE HA H 53 5.850 5.389 0.461 1
2 439 . 5 1 1 A 53 53 PHE C C 53 176.400 175.718 0.682 1
2 440 . 5 1 1 A 53 53 PHE CA C 53 58.000 57.213 0.787 1
2 441 . 5 1 1 A 53 53 PHE CB C 53 42.800 40.921 1.879 1
2 442 . 5 1 1 A 53 53 PHE N N 53 118.200 119.592 -1.392 1
2 443 . 5 1 1 A 54 54 VAL H H 54 9.150 9.127 0.023 1
2 444 . 5 1 1 A 54 54 VAL HA H 54 4.790 5.246 -0.456 1
2 445 . 5 1 1 A 54 54 VAL CA C 54 57.600 58.299 -0.699 1
2 446 . 5 1 1 A 54 54 VAL CB C 54 33.300 34.426 -1.126 1
2 447 . 5 1 1 A 54 54 VAL N N 54 112.100 117.865 -5.765 1
2 448 . 5 1 1 A 57 57 ASN HA H 57 4.480 4.714 -0.234 1
2 453 . 5 1 1 A 57 57 ASN C C 57 175.500 176.080 -0.580 1
2 454 . 5 1 1 A 57 57 ASN CA C 57 53.900 53.885 0.015 1
2 455 . 5 1 1 A 57 57 ASN CB C 57 36.600 39.100 -2.500 1
2 457 . 5 1 1 A 58 58 TYR H H 58 7.950 7.646 0.304 1
2 458 . 5 1 1 A 58 58 TYR HA H 58 4.460 4.785 -0.325 1
2 461 . 5 1 1 A 58 58 TYR C C 58 175.200 174.784 0.416 1
2 462 . 5 1 1 A 58 58 TYR CA C 58 59.100 57.306 1.794 1
2 463 . 5 1 1 A 58 58 TYR CB C 58 38.100 38.234 -0.134 1
2 464 . 5 1 1 A 58 58 TYR N N 58 118.400 116.379 2.021 1
2 465 . 5 1 1 A 59 59 VAL H H 59 7.300 7.523 -0.223 1
2 466 . 5 1 1 A 59 59 VAL HA H 59 5.080 4.878 0.202 1
2 468 . 5 1 1 A 59 59 VAL C C 59 173.100 174.431 -1.331 1
2 469 . 5 1 1 A 59 59 VAL CA C 59 58.700 59.505 -0.805 1
2 470 . 5 1 1 A 59 59 VAL CB C 59 35.500 35.709 -0.209 1
2 471 . 5 1 1 A 59 59 VAL N N 59 111.800 116.970 -5.170 1
2 472 . 5 1 1 A 60 60 GLU H H 60 8.680 8.662 0.018 1
2 473 . 5 1 1 A 60 60 GLU HA H 60 4.790 4.654 0.136 1
2 476 . 5 1 1 A 60 60 GLU C C 60 175.600 175.031 0.569 1
2 477 . 5 1 1 A 60 60 GLU CA C 60 54.400 55.611 -1.211 1
2 478 . 5 1 1 A 60 60 GLU CB C 60 33.300 33.699 -0.399 1
2 479 . 5 1 1 A 60 60 GLU N N 60 118.900 120.524 -1.624 1
2 480 . 5 1 1 A 61 61 ARG H H 61 9.070 8.580 0.490 1
2 481 . 5 1 1 A 61 61 ARG HA H 61 4.540 4.619 -0.079 1
2 485 . 5 1 1 A 61 61 ARG C C 61 175.900 177.364 -1.464 1
2 486 . 5 1 1 A 61 61 ARG CA C 61 56.500 57.227 -0.727 1
2 487 . 5 1 1 A 61 61 ARG CB C 61 31.200 30.681 0.519 1
2 488 . 5 1 1 A 61 61 ARG N N 61 125.400 125.609 -0.209 1
2 490 . 5 1 1 A 62 62 LYS H H 62 8.540 9.374 -0.834 1
2 491 . 5 1 1 A 62 62 LYS HA H 62 4.370 3.799 0.571 1
2 494 . 5 1 1 A 62 62 LYS C C 62 176.000 176.498 -0.498 1
2 495 . 5 1 1 A 62 62 LYS CA C 62 55.900 60.281 -4.381 1
2 496 . 5 1 1 A 62 62 LYS CB C 62 33.200 32.181 1.019 1
2 497 . 5 1 1 A 62 62 LYS N N 62 124.400 124.565 -0.165 1
2 498 . 5 1 1 A 63 63 ASN H H 63 8.650 8.146 0.504 1
2 499 . 5 1 1 A 63 63 ASN HA H 63 4.740 4.464 0.276 1
2 504 . 5 1 1 A 63 63 ASN C C 63 175.300 175.263 0.037 1
2 505 . 5 1 1 A 63 63 ASN CA C 63 53.300 53.891 -0.591 1
2 506 . 5 1 1 A 63 63 ASN CB C 63 39.000 36.148 2.852 1
2 507 . 5 1 1 A 63 63 ASN N N 63 121.200 115.899 5.301 1
2 509 . 5 1 1 A 64 64 SER H H 64 8.370 7.978 0.392 1
2 510 . 5 1 1 A 64 64 SER HA H 64 4.420 4.421 -0.001 1
2 513 . 5 1 1 A 64 64 SER C C 64 174.300 174.077 0.223 1
2 514 . 5 1 1 A 64 64 SER CA C 64 58.400 61.248 -2.848 1
2 515 . 5 1 1 A 64 64 SER CB C 64 63.900 63.489 0.411 1
2 516 . 5 1 1 A 64 64 SER N N 64 116.900 116.810 0.090 1
2 517 . 5 1 1 A 65 65 ALA H H 65 8.370 7.658 0.712 1
2 518 . 5 1 1 A 65 65 ALA HA H 65 4.330 4.419 -0.089 1
2 522 . 5 1 1 A 65 65 ALA C C 65 177.800 177.013 0.787 1
2 523 . 5 1 1 A 65 65 ALA CA C 65 52.700 51.488 1.212 1
2 524 . 5 1 1 A 65 65 ALA CB C 65 19.300 19.405 -0.105 1
2 525 . 5 1 1 A 65 65 ALA N N 65 126.000 122.136 3.864 1
2 526 . 5 1 1 A 66 66 ARG H H 66 8.230 8.890 -0.660 1
2 527 . 5 1 1 A 66 66 ARG HA H 66 4.300 3.990 0.310 1
2 531 . 5 1 1 A 66 66 ARG C C 66 176.100 176.821 -0.721 1
2 532 . 5 1 1 A 66 66 ARG CA C 66 56.000 56.357 -0.357 1
2 533 . 5 1 1 A 66 66 ARG CB C 66 30.800 28.824 1.976 1
2 534 . 5 1 1 A 66 66 ARG N N 66 120.400 123.647 -3.247 1
2 536 . 5 1 1 A 67 67 ALA H H 67 8.290 8.079 0.211 1
2 537 . 5 1 1 A 67 67 ALA HA H 67 4.290 4.007 0.283 1
2 541 . 5 1 1 A 67 67 ALA C C 67 177.600 178.404 -0.804 1
2 542 . 5 1 1 A 67 67 ALA CA C 67 52.500 55.126 -2.626 1
2 543 . 5 1 1 A 67 67 ALA CB C 67 19.200 18.468 0.732 1
2 544 . 5 1 1 A 67 67 ALA N N 67 125.700 126.171 -0.471 1
2 545 . 5 1 1 A 68 68 ALA H H 68 8.270 7.665 0.605 1
2 546 . 5 1 1 A 68 68 ALA HA H 68 4.290 4.451 -0.161 1
2 550 . 5 1 1 A 68 68 ALA C C 68 178.600 177.495 1.105 1
2 551 . 5 1 1 A 68 68 ALA CA C 68 52.400 51.587 0.813 1
2 552 . 5 1 1 A 68 68 ALA CB C 68 19.200 18.679 0.521 1
2 553 . 5 1 1 A 68 68 ALA N N 68 123.100 117.884 5.216 1
2 554 . 5 1 1 A 69 69 ALA H H 69 8.260 7.289 0.971 1
2 555 . 5 1 1 A 69 69 ALA HA H 69 4.300 4.143 0.157 1
2 559 . 5 1 1 A 69 69 ALA C C 69 177.600 176.787 0.813 1
2 560 . 5 1 1 A 69 69 ALA CA C 69 52.500 52.410 0.090 1
2 561 . 5 1 1 A 69 69 ALA CB C 69 19.200 18.365 0.835 1
2 562 . 5 1 1 A 69 69 ALA N N 69 123.500 121.809 1.691 1
2 563 . 5 1 1 A 70 70 ASN H H 70 8.390 8.437 -0.047 1
2 564 . 5 1 1 A 70 70 ASN HA H 70 4.750 4.917 -0.167 1
2 567 . 5 1 1 A 70 70 ASN C C 70 175.200 175.107 0.093 1
2 568 . 5 1 1 A 70 70 ASN CA C 70 53.300 53.709 -0.409 1
2 569 . 5 1 1 A 70 70 ASN CB C 70 39.000 41.221 -2.221 1
2 570 . 5 1 1 A 70 70 ASN N N 70 117.500 123.431 -5.931 1
2 571 . 5 1 1 A 71 71 SER H H 71 8.240 8.163 0.077 1
2 572 . 5 1 1 A 71 71 SER HA H 71 4.520 4.119 0.401 1
2 575 . 5 1 1 A 71 71 SER C C 71 173.700 173.705 -0.005 1
2 576 . 5 1 1 A 71 71 SER CA C 71 58.400 59.100 -0.700 1
2 577 . 5 1 1 A 71 71 SER CB C 71 64.200 61.670 2.530 1
2 578 . 5 1 1 A 71 71 SER N N 71 116.200 113.214 2.986 1
2 5 . 6 1 1 A 2 2 SER H H 2 8.720 8.570 0.150 1
2 6 . 6 1 1 A 2 2 SER HA H 2 4.600 4.738 -0.138 1
2 9 . 6 1 1 A 2 2 SER C C 2 174.800 172.963 1.837 1
2 10 . 6 1 1 A 2 2 SER CA C 2 58.300 56.963 1.337 1
2 11 . 6 1 1 A 2 2 SER CB C 2 64.000 63.499 0.501 1
2 12 . 6 1 1 A 2 2 SER N N 2 115.900 120.373 -4.473 1
2 13 . 6 1 1 A 3 3 THR H H 3 8.340 8.882 -0.542 1
2 14 . 6 1 1 A 3 3 THR HA H 3 4.390 4.408 -0.018 1
2 16 . 6 1 1 A 3 3 THR C C 3 174.600 174.061 0.539 1
2 17 . 6 1 1 A 3 3 THR CA C 3 62.000 63.034 -1.034 1
2 18 . 6 1 1 A 3 3 THR CB C 3 69.800 69.869 -0.069 1
2 19 . 6 1 1 A 3 3 THR N N 3 116.100 121.589 -5.489 1
2 20 . 6 1 1 A 4 4 MET H H 4 8.430 8.826 -0.396 1
2 21 . 6 1 1 A 4 4 MET HA H 4 4.460 4.746 -0.286 1
2 24 . 6 1 1 A 4 4 MET C C 4 175.800 175.630 0.170 1
2 25 . 6 1 1 A 4 4 MET CA C 4 55.600 56.319 -0.719 1
2 26 . 6 1 1 A 4 4 MET CB C 4 33.000 35.068 -2.068 1
2 27 . 6 1 1 A 4 4 MET N N 4 122.900 123.947 -1.047 1
2 28 . 6 1 1 A 5 5 ALA H H 5 8.330 7.990 0.340 1
2 29 . 6 1 1 A 5 5 ALA HA H 5 4.310 4.317 -0.007 1
2 33 . 6 1 1 A 5 5 ALA C C 5 177.500 176.727 0.773 1
2 34 . 6 1 1 A 5 5 ALA CA C 5 52.600 51.660 0.940 1
2 35 . 6 1 1 A 5 5 ALA CB C 5 19.200 18.397 0.803 1
2 36 . 6 1 1 A 5 5 ALA N N 5 125.600 123.600 2.000 1
2 37 . 6 1 1 A 6 6 GLU H H 6 8.220 8.332 -0.112 1
2 38 . 6 1 1 A 6 6 GLU HA H 6 4.310 4.682 -0.372 1
2 41 . 6 1 1 A 6 6 GLU C C 6 176.200 174.551 1.649 1
2 42 . 6 1 1 A 6 6 GLU CA C 6 56.100 56.446 -0.346 1
2 43 . 6 1 1 A 6 6 GLU CB C 6 30.600 31.089 -0.489 1
2 44 . 6 1 1 A 6 6 GLU N N 6 119.900 124.109 -4.209 1
2 45 . 6 1 1 A 7 7 GLU H H 7 8.450 9.066 -0.616 1
2 46 . 6 1 1 A 7 7 GLU HA H 7 4.440 5.048 -0.608 1
2 49 . 6 1 1 A 7 7 GLU C C 7 176.000 175.219 0.781 1
2 50 . 6 1 1 A 7 7 GLU CA C 7 56.500 54.885 1.615 1
2 51 . 6 1 1 A 7 7 GLU CB C 7 30.700 33.090 -2.390 1
2 52 . 6 1 1 A 7 7 GLU N N 7 122.400 126.942 -4.542 1
2 53 . 6 1 1 A 8 8 VAL H H 8 8.490 8.886 -0.396 1
2 54 . 6 1 1 A 8 8 VAL HA H 8 4.210 4.771 -0.561 1
2 56 . 6 1 1 A 8 8 VAL C C 8 175.900 175.413 0.487 1
2 57 . 6 1 1 A 8 8 VAL CA C 8 62.200 61.169 1.031 1
2 58 . 6 1 1 A 8 8 VAL CB C 8 33.300 35.185 -1.885 1
2 59 . 6 1 1 A 8 8 VAL N N 8 123.400 124.509 -1.109 1
2 60 . 6 1 1 A 9 9 VAL H H 9 8.360 8.908 -0.548 1
2 61 . 6 1 1 A 9 9 VAL HA H 9 4.430 4.969 -0.539 1
2 63 . 6 1 1 A 9 9 VAL C C 9 176.300 174.807 1.493 1
2 64 . 6 1 1 A 9 9 VAL CA C 9 61.700 59.288 2.412 1
2 65 . 6 1 1 A 9 9 VAL CB C 9 33.000 34.662 -1.662 1
2 66 . 6 1 1 A 9 9 VAL N N 9 126.800 121.103 5.697 1
2 67 . 6 1 1 A 10 10 VAL H H 10 8.900 8.800 0.100 1
2 68 . 6 1 1 A 10 10 VAL HA H 10 4.980 5.306 -0.326 1
2 70 . 6 1 1 A 10 10 VAL C C 10 173.400 173.588 -0.188 1
2 71 . 6 1 1 A 10 10 VAL CA C 10 58.300 59.041 -0.741 1
2 72 . 6 1 1 A 10 10 VAL CB C 10 35.100 35.424 -0.324 1
2 73 . 6 1 1 A 10 10 VAL N N 10 119.700 121.205 -1.505 1
2 74 . 6 1 1 A 11 11 VAL H H 11 8.550 9.125 -0.575 1
2 75 . 6 1 1 A 11 11 VAL HA H 11 5.000 4.838 0.162 1
2 77 . 6 1 1 A 11 11 VAL C C 11 176.700 174.667 2.033 1
2 78 . 6 1 1 A 11 11 VAL CA C 11 59.600 59.483 0.117 1
2 79 . 6 1 1 A 11 11 VAL CB C 11 35.100 34.139 0.961 1
2 80 . 6 1 1 A 11 11 VAL N N 11 118.700 122.462 -3.762 1
2 81 . 6 1 1 A 12 12 ALA H H 12 8.770 8.846 -0.076 1
2 82 . 6 1 1 A 12 12 ALA HA H 12 4.580 4.822 -0.242 1
2 86 . 6 1 1 A 12 12 ALA C C 12 178.600 178.863 -0.263 1
2 87 . 6 1 1 A 12 12 ALA CA C 12 52.800 52.067 0.733 1
2 88 . 6 1 1 A 12 12 ALA CB C 12 19.900 19.007 0.893 1
2 89 . 6 1 1 A 12 12 ALA N N 12 128.500 129.791 -1.291 1
2 90 . 6 1 1 A 13 13 LYS H H 13 9.370 8.982 0.388 1
2 91 . 6 1 1 A 13 13 LYS HA H 13 3.850 4.241 -0.391 1
2 94 . 6 1 1 A 13 13 LYS C C 13 174.700 175.306 -0.606 1
2 95 . 6 1 1 A 13 13 LYS CA C 13 57.300 56.508 0.792 1
2 96 . 6 1 1 A 13 13 LYS CB C 13 33.800 32.921 0.879 1
2 97 . 6 1 1 A 13 13 LYS N N 13 126.700 118.850 7.850 1
2 98 . 6 1 1 A 14 14 PHE H H 14 7.140 7.580 -0.440 1
2 99 . 6 1 1 A 14 14 PHE HA H 14 4.800 5.076 -0.276 1
2 102 . 6 1 1 A 14 14 PHE C C 14 173.600 174.305 -0.705 1
2 103 . 6 1 1 A 14 14 PHE CA C 14 53.700 56.697 -2.997 1
2 104 . 6 1 1 A 14 14 PHE CB C 14 43.700 44.119 -0.419 1
2 105 . 6 1 1 A 14 14 PHE N N 14 111.600 117.914 -6.314 1
2 106 . 6 1 1 A 15 15 ASP H H 15 8.360 9.157 -0.797 1
2 107 . 6 1 1 A 15 15 ASP HA H 15 4.790 5.855 -1.065 1
2 110 . 6 1 1 A 15 15 ASP C C 15 176.400 174.125 2.275 1
2 111 . 6 1 1 A 15 15 ASP CA C 15 54.700 52.637 2.063 1
2 112 . 6 1 1 A 15 15 ASP CB C 15 41.600 43.834 -2.234 1
2 113 . 6 1 1 A 15 15 ASP N N 15 117.400 118.725 -1.325 1
2 114 . 6 1 1 A 16 16 TYR H H 16 8.860 8.944 -0.084 1
2 115 . 6 1 1 A 16 16 TYR HA H 16 4.750 5.233 -0.483 1
2 118 . 6 1 1 A 16 16 TYR C C 16 173.700 173.480 0.220 1
2 119 . 6 1 1 A 16 16 TYR CA C 16 59.500 56.944 2.556 1
2 120 . 6 1 1 A 16 16 TYR CB C 16 41.500 42.059 -0.559 1
2 121 . 6 1 1 A 16 16 TYR N N 16 121.000 123.004 -2.004 1
2 122 . 6 1 1 A 17 17 VAL H H 17 7.180 8.332 -1.152 1
2 123 . 6 1 1 A 17 17 VAL HA H 17 4.150 4.224 -0.074 1
2 125 . 6 1 1 A 17 17 VAL C C 17 174.500 175.217 -0.717 1
2 126 . 6 1 1 A 17 17 VAL CA C 17 60.600 60.833 -0.233 1
2 127 . 6 1 1 A 17 17 VAL CB C 17 32.300 32.811 -0.511 1
2 128 . 6 1 1 A 17 17 VAL N N 17 129.100 123.759 5.341 1
2 129 . 6 1 1 A 18 18 ALA H H 18 8.640 8.172 0.468 1
2 130 . 6 1 1 A 18 18 ALA HA H 18 4.230 4.355 -0.125 1
2 134 . 6 1 1 A 18 18 ALA C C 18 179.100 177.765 1.335 1
2 135 . 6 1 1 A 18 18 ALA CA C 18 53.300 52.177 1.123 1
2 136 . 6 1 1 A 18 18 ALA CB C 18 19.900 18.971 0.929 1
2 137 . 6 1 1 A 18 18 ALA N N 18 128.900 131.308 -2.408 1
2 138 . 6 1 1 A 19 19 GLN H H 19 9.080 8.323 0.757 1
2 139 . 6 1 1 A 19 19 GLN HA H 19 4.320 3.925 0.395 1
2 144 . 6 1 1 A 19 19 GLN C C 19 175.500 177.165 -1.665 1
2 145 . 6 1 1 A 19 19 GLN CA C 19 55.100 59.992 -4.892 1
2 146 . 6 1 1 A 19 19 GLN CB C 19 31.200 28.898 2.302 1
2 148 . 6 1 1 A 19 19 GLN N N 19 120.400 124.956 -4.556 1
2 150 . 6 1 1 A 20 20 GLN H H 20 7.220 7.974 -0.754 1
2 151 . 6 1 1 A 20 20 GLN HA H 20 4.590 4.320 0.270 1
2 156 . 6 1 1 A 20 20 GLN C C 20 176.800 177.276 -0.476 1
2 157 . 6 1 1 A 20 20 GLN CA C 20 53.900 55.652 -1.752 1
2 158 . 6 1 1 A 20 20 GLN CB C 20 32.400 29.342 3.058 1
2 159 . 6 1 1 A 20 20 GLN N N 20 114.500 117.332 -2.832 1
2 161 . 6 1 1 A 21 21 GLU H H 21 8.980 8.897 0.083 1
2 162 . 6 1 1 A 21 21 GLU HA H 21 4.090 4.059 0.031 1
2 164 . 6 1 1 A 21 21 GLU C C 21 176.900 178.254 -1.354 1
2 165 . 6 1 1 A 21 21 GLU CA C 21 59.500 58.601 0.899 1
2 166 . 6 1 1 A 21 21 GLU CB C 21 29.700 29.168 0.532 1
2 167 . 6 1 1 A 21 21 GLU N N 21 121.600 123.684 -2.084 1
2 168 . 6 1 1 A 22 22 GLN H H 22 8.470 7.887 0.583 1
2 169 . 6 1 1 A 22 22 GLN HA H 22 4.540 4.127 0.413 1
2 174 . 6 1 1 A 22 22 GLN C C 22 176.700 176.458 0.242 1
2 175 . 6 1 1 A 22 22 GLN CA C 22 56.700 58.255 -1.555 1
2 176 . 6 1 1 A 22 22 GLN CB C 22 28.000 28.703 -0.703 1
2 178 . 6 1 1 A 22 22 GLN N N 22 113.600 119.815 -6.215 1
2 180 . 6 1 1 A 23 23 GLU H H 23 7.730 7.899 -0.169 1
2 181 . 6 1 1 A 23 23 GLU HA H 23 5.340 4.558 0.782 1
2 184 . 6 1 1 A 23 23 GLU C C 23 174.700 175.748 -1.048 1
2 185 . 6 1 1 A 23 23 GLU CA C 23 55.600 56.719 -1.119 1
2 186 . 6 1 1 A 23 23 GLU CB C 23 32.400 30.726 1.674 1
2 187 . 6 1 1 A 23 23 GLU N N 23 120.200 119.116 1.084 1
2 188 . 6 1 1 A 24 24 LEU H H 24 7.900 8.595 -0.695 1
2 189 . 6 1 1 A 24 24 LEU HA H 24 4.680 5.115 -0.435 1
2 192 . 6 1 1 A 24 24 LEU C C 24 174.300 176.437 -2.137 1
2 193 . 6 1 1 A 24 24 LEU CA C 24 53.200 53.753 -0.553 1
2 194 . 6 1 1 A 24 24 LEU CB C 24 46.500 44.449 2.051 1
2 195 . 6 1 1 A 24 24 LEU N N 24 122.400 122.790 -0.390 1
2 196 . 6 1 1 A 25 25 ASP H H 25 7.640 8.864 -1.224 1
2 197 . 6 1 1 A 25 25 ASP HA H 25 5.160 4.920 0.240 1
2 200 . 6 1 1 A 25 25 ASP C C 25 176.800 176.431 0.369 1
2 201 . 6 1 1 A 25 25 ASP CA C 25 54.200 53.864 0.336 1
2 202 . 6 1 1 A 25 25 ASP CB C 25 42.300 41.377 0.923 1
2 203 . 6 1 1 A 25 25 ASP N N 25 121.400 122.329 -0.929 1
2 204 . 6 1 1 A 26 26 ILE H H 26 8.930 8.716 0.214 1
2 205 . 6 1 1 A 26 26 ILE HA H 26 5.120 5.252 -0.132 1
2 207 . 6 1 1 A 26 26 ILE C C 26 175.200 174.152 1.048 1
2 208 . 6 1 1 A 26 26 ILE CA C 26 59.700 58.884 0.816 1
2 209 . 6 1 1 A 26 26 ILE CB C 26 42.400 42.103 0.297 1
2 210 . 6 1 1 A 26 26 ILE N N 26 115.600 119.206 -3.606 1
2 211 . 6 1 1 A 27 27 LYS H H 27 8.930 8.746 0.184 1
2 212 . 6 1 1 A 27 27 LYS HA H 27 5.090 4.805 0.285 1
2 215 . 6 1 1 A 27 27 LYS C C 27 175.300 174.681 0.619 1
2 216 . 6 1 1 A 27 27 LYS CA C 27 52.900 55.162 -2.262 1
2 217 . 6 1 1 A 27 27 LYS CB C 27 35.400 36.564 -1.164 1
2 218 . 6 1 1 A 27 27 LYS N N 27 123.000 121.709 1.291 1
2 219 . 6 1 1 A 28 28 LYS H H 28 8.990 8.622 0.368 1
2 220 . 6 1 1 A 28 28 LYS HA H 28 3.110 3.965 -0.855 1
2 222 . 6 1 1 A 28 28 LYS C C 28 177.000 177.299 -0.299 1
2 223 . 6 1 1 A 28 28 LYS CA C 28 59.200 58.133 1.067 1
2 224 . 6 1 1 A 28 28 LYS CB C 28 32.600 32.228 0.372 1
2 225 . 6 1 1 A 28 28 LYS N N 28 121.200 126.564 -5.364 1
2 226 . 6 1 1 A 29 29 ASN H H 29 8.700 9.143 -0.443 1
2 227 . 6 1 1 A 29 29 ASN HA H 29 4.180 4.235 -0.055 1
2 232 . 6 1 1 A 29 29 ASN C C 29 174.200 173.476 0.724 1
2 233 . 6 1 1 A 29 29 ASN CA C 29 55.900 54.255 1.645 1
2 234 . 6 1 1 A 29 29 ASN CB C 29 37.400 37.216 0.184 1
2 235 . 6 1 1 A 29 29 ASN N N 29 118.300 118.933 -0.633 1
2 237 . 6 1 1 A 30 30 GLU H H 30 8.660 7.870 0.790 1
2 238 . 6 1 1 A 30 30 GLU HA H 30 4.160 4.908 -0.748 1
2 241 . 6 1 1 A 30 30 GLU C C 30 175.200 175.041 0.159 1
2 242 . 6 1 1 A 30 30 GLU CA C 30 57.700 55.025 2.675 1
2 243 . 6 1 1 A 30 30 GLU CB C 30 31.800 32.480 -0.680 1
2 244 . 6 1 1 A 30 30 GLU N N 30 124.200 118.196 6.004 1
2 245 . 6 1 1 A 31 31 ARG H H 31 8.490 8.762 -0.272 1
2 246 . 6 1 1 A 31 31 ARG HA H 31 4.580 4.562 0.018 1
2 250 . 6 1 1 A 31 31 ARG C C 31 175.000 175.268 -0.268 1
2 251 . 6 1 1 A 31 31 ARG CA C 31 56.200 56.224 -0.024 1
2 252 . 6 1 1 A 31 31 ARG CB C 31 30.800 30.835 -0.035 1
2 253 . 6 1 1 A 31 31 ARG N N 31 125.000 126.615 -1.615 1
2 255 . 6 1 1 A 32 32 LEU H H 32 8.860 9.384 -0.524 1
2 256 . 6 1 1 A 32 32 LEU HA H 32 4.840 4.731 0.109 1
2 259 . 6 1 1 A 32 32 LEU C C 32 174.400 175.489 -1.089 1
2 260 . 6 1 1 A 32 32 LEU CA C 32 53.300 52.903 0.397 1
2 261 . 6 1 1 A 32 32 LEU CB C 32 46.300 45.084 1.216 1
2 262 . 6 1 1 A 32 32 LEU N N 32 125.600 125.466 0.134 1
2 263 . 6 1 1 A 33 33 TRP H H 33 9.160 8.788 0.372 1
2 264 . 6 1 1 A 33 33 TRP HA H 33 5.100 5.355 -0.255 1
2 268 . 6 1 1 A 33 33 TRP C C 33 176.000 175.793 0.207 1
2 269 . 6 1 1 A 33 33 TRP CA C 33 58.300 56.418 1.882 1
2 270 . 6 1 1 A 33 33 TRP CB C 33 31.000 31.061 -0.061 1
2 271 . 6 1 1 A 33 33 TRP N N 33 121.000 121.233 -0.233 1
2 273 . 6 1 1 A 34 34 LEU H H 34 9.130 8.942 0.188 1
2 274 . 6 1 1 A 34 34 LEU HA H 34 4.330 4.484 -0.154 1
2 277 . 6 1 1 A 34 34 LEU C C 34 175.400 175.939 -0.539 1
2 278 . 6 1 1 A 34 34 LEU CA C 34 55.600 55.285 0.315 1
2 279 . 6 1 1 A 34 34 LEU CB C 34 43.700 42.543 1.157 1
2 280 . 6 1 1 A 34 34 LEU N N 34 125.100 126.713 -1.613 1
2 281 . 6 1 1 A 35 35 LEU H H 35 9.020 8.984 0.036 1
2 282 . 6 1 1 A 35 35 LEU HA H 35 4.620 4.343 0.277 1
2 285 . 6 1 1 A 35 35 LEU C C 35 177.400 176.616 0.784 1
2 286 . 6 1 1 A 35 35 LEU CA C 35 55.400 56.251 -0.851 1
2 287 . 6 1 1 A 35 35 LEU CB C 35 42.600 42.427 0.173 1
2 288 . 6 1 1 A 35 35 LEU N N 35 126.300 127.777 -1.477 1
2 289 . 6 1 1 A 36 36 ASP H H 36 7.460 7.692 -0.232 1
2 290 . 6 1 1 A 36 36 ASP HA H 36 4.760 4.992 -0.232 1
2 293 . 6 1 1 A 36 36 ASP C C 36 175.000 175.160 -0.160 1
2 294 . 6 1 1 A 36 36 ASP CA C 36 55.200 52.737 2.463 1
2 295 . 6 1 1 A 36 36 ASP CB C 36 43.400 42.696 0.704 1
2 296 . 6 1 1 A 36 36 ASP N N 36 115.400 117.113 -1.713 1
2 297 . 6 1 1 A 37 37 ASP H H 37 8.330 8.389 -0.059 1
2 298 . 6 1 1 A 37 37 ASP HA H 37 3.940 4.734 -0.794 1
2 301 . 6 1 1 A 37 37 ASP C C 37 176.400 177.178 -0.778 1
2 302 . 6 1 1 A 37 37 ASP CA C 37 52.200 52.405 -0.205 1
2 303 . 6 1 1 A 37 37 ASP CB C 37 39.900 39.482 0.418 1
2 304 . 6 1 1 A 37 37 ASP N N 37 128.400 123.334 5.066 1
2 305 . 6 1 1 A 38 38 SER H H 38 8.470 8.104 0.366 1
2 306 . 6 1 1 A 38 38 SER HA H 38 4.210 4.516 -0.306 1
2 309 . 6 1 1 A 38 38 SER C C 38 175.300 174.512 0.788 1
2 310 . 6 1 1 A 38 38 SER CA C 38 61.600 61.115 0.485 1
2 311 . 6 1 1 A 38 38 SER CB C 38 64.100 63.799 0.301 1
2 312 . 6 1 1 A 38 38 SER N N 38 115.700 115.283 0.417 1
2 313 . 6 1 1 A 39 39 LYS H H 39 8.440 7.677 0.763 1
2 314 . 6 1 1 A 39 39 LYS HA H 39 4.910 4.467 0.443 1
2 317 . 6 1 1 A 39 39 LYS C C 39 175.900 177.980 -2.080 1
2 318 . 6 1 1 A 39 39 LYS CA C 39 55.000 56.038 -1.038 1
2 319 . 6 1 1 A 39 39 LYS CB C 39 34.300 33.391 0.909 1
2 320 . 6 1 1 A 39 39 LYS N N 39 122.300 120.809 1.491 1
2 321 . 6 1 1 A 40 40 SER H H 40 8.360 8.705 -0.345 1
2 322 . 6 1 1 A 40 40 SER HA H 40 4.310 4.185 0.125 1
2 325 . 6 1 1 A 40 40 SER C C 40 175.200 175.266 -0.066 1
2 326 . 6 1 1 A 40 40 SER CA C 40 60.900 62.730 -1.830 1
2 327 . 6 1 1 A 40 40 SER CB C 40 63.100 63.044 0.056 1
2 328 . 6 1 1 A 40 40 SER N N 40 112.600 115.892 -3.292 1
2 329 . 6 1 1 A 41 41 TRP H H 41 7.440 8.159 -0.719 1
2 330 . 6 1 1 A 41 41 TRP HA H 41 4.840 4.845 -0.005 1
2 334 . 6 1 1 A 41 41 TRP C C 41 175.500 176.439 -0.939 1
2 335 . 6 1 1 A 41 41 TRP CA C 41 56.800 56.774 0.026 1
2 336 . 6 1 1 A 41 41 TRP CB C 41 29.600 29.892 -0.292 1
2 337 . 6 1 1 A 41 41 TRP N N 41 121.300 118.930 2.370 1
2 339 . 6 1 1 A 42 42 TRP H H 42 9.350 9.127 0.223 1
2 340 . 6 1 1 A 42 42 TRP HA H 42 5.440 5.124 0.316 1
2 344 . 6 1 1 A 42 42 TRP C C 42 175.000 176.069 -1.069 1
2 345 . 6 1 1 A 42 42 TRP CA C 42 54.300 57.454 -3.154 1
2 346 . 6 1 1 A 42 42 TRP CB C 42 30.800 29.297 1.503 1
2 347 . 6 1 1 A 42 42 TRP N N 42 125.400 125.111 0.289 1
2 349 . 6 1 1 A 43 43 ARG H H 43 8.810 9.348 -0.538 1
2 350 . 6 1 1 A 43 43 ARG HA H 43 4.530 4.608 -0.078 1
2 354 . 6 1 1 A 43 43 ARG C C 43 175.600 176.113 -0.513 1
2 355 . 6 1 1 A 43 43 ARG CA C 43 55.400 56.096 -0.696 1
2 356 . 6 1 1 A 43 43 ARG CB C 43 32.200 30.304 1.896 1
2 357 . 6 1 1 A 43 43 ARG N N 43 124.200 126.275 -2.075 1
2 359 . 6 1 1 A 44 44 VAL H H 44 9.210 8.773 0.437 1
2 360 . 6 1 1 A 44 44 VAL HA H 44 5.510 5.178 0.332 1
2 362 . 6 1 1 A 44 44 VAL C C 44 172.800 173.559 -0.759 1
2 363 . 6 1 1 A 44 44 VAL CA C 44 58.800 58.770 0.030 1
2 364 . 6 1 1 A 44 44 VAL CB C 44 36.600 36.229 0.371 1
2 365 . 6 1 1 A 44 44 VAL N N 44 121.400 119.269 2.131 1
2 366 . 6 1 1 A 45 45 ARG H H 45 9.260 9.180 0.080 1
2 367 . 6 1 1 A 45 45 ARG HA H 45 5.510 5.331 0.179 1
2 371 . 6 1 1 A 45 45 ARG C C 45 175.700 173.981 1.719 1
2 372 . 6 1 1 A 45 45 ARG CA C 45 53.700 53.948 -0.248 1
2 373 . 6 1 1 A 45 45 ARG CB C 45 35.400 34.036 1.364 1
2 374 . 6 1 1 A 45 45 ARG N N 45 120.000 121.870 -1.870 1
2 376 . 6 1 1 A 46 46 ASN H H 46 8.820 9.185 -0.365 1
2 377 . 6 1 1 A 46 46 ASN HA H 46 5.470 5.300 0.170 1
2 382 . 6 1 1 A 46 46 ASN C C 46 178.500 176.024 2.476 1
2 383 . 6 1 1 A 46 46 ASN CA C 46 50.600 51.269 -0.669 1
2 384 . 6 1 1 A 46 46 ASN CB C 46 41.000 41.589 -0.589 1
2 385 . 6 1 1 A 46 46 ASN N N 46 123.300 123.977 -0.677 1
2 387 . 6 1 1 A 47 47 SER H H 47 9.730 9.096 0.634 1
2 388 . 6 1 1 A 47 47 SER HA H 47 4.320 4.451 -0.131 1
2 391 . 6 1 1 A 47 47 SER C C 47 175.200 175.460 -0.260 1
2 392 . 6 1 1 A 47 47 SER CA C 47 61.500 61.457 0.043 1
2 393 . 6 1 1 A 47 47 SER CB C 47 63.100 62.887 0.213 1
2 394 . 6 1 1 A 47 47 SER N N 47 115.000 119.827 -4.827 1
2 395 . 6 1 1 A 48 48 MET H H 48 7.650 8.024 -0.374 1
2 396 . 6 1 1 A 48 48 MET HA H 48 4.730 4.581 0.149 1
2 399 . 6 1 1 A 48 48 MET C C 48 175.800 176.241 -0.441 1
2 400 . 6 1 1 A 48 48 MET CA C 48 54.500 55.767 -1.267 1
2 401 . 6 1 1 A 48 48 MET CB C 48 31.600 33.312 -1.712 1
2 402 . 6 1 1 A 48 48 MET N N 48 120.300 117.989 2.311 1
2 403 . 6 1 1 A 49 49 ASN H H 49 8.430 8.083 0.347 1
2 404 . 6 1 1 A 49 49 ASN HA H 49 4.210 4.466 -0.256 1
2 409 . 6 1 1 A 49 49 ASN C C 49 174.200 174.278 -0.078 1
2 410 . 6 1 1 A 49 49 ASN CA C 49 54.900 54.351 0.549 1
2 411 . 6 1 1 A 49 49 ASN CB C 49 37.100 36.536 0.564 1
2 412 . 6 1 1 A 49 49 ASN N N 49 113.400 117.007 -3.607 1
2 414 . 6 1 1 A 50 50 LYS H H 50 8.090 7.787 0.303 1
2 415 . 6 1 1 A 50 50 LYS HA H 50 4.560 4.296 0.264 1
2 418 . 6 1 1 A 50 50 LYS C C 50 175.500 175.397 0.103 1
2 419 . 6 1 1 A 50 50 LYS CA C 50 55.600 56.581 -0.981 1
2 420 . 6 1 1 A 50 50 LYS CB C 50 33.300 33.708 -0.408 1
2 421 . 6 1 1 A 50 50 LYS N N 50 121.000 120.757 0.243 1
2 422 . 6 1 1 A 51 51 THR H H 51 8.310 8.698 -0.388 1
2 423 . 6 1 1 A 51 51 THR HA H 51 5.730 5.241 0.489 1
2 425 . 6 1 1 A 51 51 THR C C 51 174.600 174.102 0.498 1
2 426 . 6 1 1 A 51 51 THR CA C 51 59.300 60.235 -0.935 1
2 427 . 6 1 1 A 51 51 THR CB C 51 71.900 72.711 -0.811 1
2 428 . 6 1 1 A 51 51 THR N N 51 113.800 115.946 -2.146 1
2 429 . 6 1 1 A 52 52 GLY H H 52 8.630 8.063 0.567 1
2 430 . 6 1 1 A 52 52 GLY HA2 H 52 4.090 4.221 -0.131 1
2 431 . 6 1 1 A 52 52 GLY HA3 H 52 3.920 4.279 -0.359 1
2 432 . 6 1 1 A 52 52 GLY C C 52 170.500 171.468 -0.968 1
2 433 . 6 1 1 A 52 52 GLY CA C 52 45.600 45.532 0.068 1
2 434 . 6 1 1 A 52 52 GLY N N 52 107.900 110.659 -2.759 1
2 435 . 6 1 1 A 53 53 PHE H H 53 9.030 8.787 0.243 1
2 436 . 6 1 1 A 53 53 PHE HA H 53 5.850 5.242 0.608 1
2 439 . 6 1 1 A 53 53 PHE C C 53 176.400 175.886 0.514 1
2 440 . 6 1 1 A 53 53 PHE CA C 53 58.000 57.957 0.043 1
2 441 . 6 1 1 A 53 53 PHE CB C 53 42.800 40.824 1.976 1
2 442 . 6 1 1 A 53 53 PHE N N 53 118.200 119.405 -1.205 1
2 443 . 6 1 1 A 54 54 VAL H H 54 9.150 9.061 0.089 1
2 444 . 6 1 1 A 54 54 VAL HA H 54 4.790 5.159 -0.369 1
2 445 . 6 1 1 A 54 54 VAL CA C 54 57.600 58.340 -0.740 1
2 446 . 6 1 1 A 54 54 VAL CB C 54 33.300 34.688 -1.388 1
2 447 . 6 1 1 A 54 54 VAL N N 54 112.100 117.705 -5.605 1
2 448 . 6 1 1 A 57 57 ASN HA H 57 4.480 4.555 -0.075 1
2 453 . 6 1 1 A 57 57 ASN C C 57 175.500 175.700 -0.200 1
2 454 . 6 1 1 A 57 57 ASN CA C 57 53.900 53.793 0.107 1
2 455 . 6 1 1 A 57 57 ASN CB C 57 36.600 39.399 -2.799 1
2 457 . 6 1 1 A 58 58 TYR H H 58 7.950 8.053 -0.103 1
2 458 . 6 1 1 A 58 58 TYR HA H 58 4.460 4.634 -0.174 1
2 461 . 6 1 1 A 58 58 TYR C C 58 175.200 175.802 -0.602 1
2 462 . 6 1 1 A 58 58 TYR CA C 58 59.100 59.065 0.035 1
2 463 . 6 1 1 A 58 58 TYR CB C 58 38.100 40.405 -2.305 1
2 464 . 6 1 1 A 58 58 TYR N N 58 118.400 115.212 3.188 1
2 465 . 6 1 1 A 59 59 VAL H H 59 7.300 7.556 -0.256 1
2 466 . 6 1 1 A 59 59 VAL HA H 59 5.080 4.929 0.151 1
2 468 . 6 1 1 A 59 59 VAL C C 59 173.100 174.417 -1.317 1
2 469 . 6 1 1 A 59 59 VAL CA C 59 58.700 59.723 -1.023 1
2 470 . 6 1 1 A 59 59 VAL CB C 59 35.500 34.466 1.034 1
2 471 . 6 1 1 A 59 59 VAL N N 59 111.800 115.065 -3.265 1
2 472 . 6 1 1 A 60 60 GLU H H 60 8.680 8.716 -0.036 1
2 473 . 6 1 1 A 60 60 GLU HA H 60 4.790 4.870 -0.080 1
2 476 . 6 1 1 A 60 60 GLU C C 60 175.600 174.915 0.685 1
2 477 . 6 1 1 A 60 60 GLU CA C 60 54.400 55.594 -1.194 1
2 478 . 6 1 1 A 60 60 GLU CB C 60 33.300 33.720 -0.420 1
2 479 . 6 1 1 A 60 60 GLU N N 60 118.900 120.661 -1.761 1
2 480 . 6 1 1 A 61 61 ARG H H 61 9.070 8.698 0.372 1
2 481 . 6 1 1 A 61 61 ARG HA H 61 4.540 4.583 -0.043 1
2 485 . 6 1 1 A 61 61 ARG C C 61 175.900 176.546 -0.646 1
2 486 . 6 1 1 A 61 61 ARG CA C 61 56.500 57.546 -1.046 1
2 487 . 6 1 1 A 61 61 ARG CB C 61 31.200 30.578 0.622 1
2 488 . 6 1 1 A 61 61 ARG N N 61 125.400 125.312 0.088 1
2 490 . 6 1 1 A 62 62 LYS H H 62 8.540 8.431 0.109 1
2 491 . 6 1 1 A 62 62 LYS HA H 62 4.370 4.133 0.237 1
2 494 . 6 1 1 A 62 62 LYS C C 62 176.000 177.798 -1.798 1
2 495 . 6 1 1 A 62 62 LYS CA C 62 55.900 56.441 -0.541 1
2 496 . 6 1 1 A 62 62 LYS CB C 62 33.200 33.523 -0.323 1
2 497 . 6 1 1 A 62 62 LYS N N 62 124.400 123.794 0.606 1
2 498 . 6 1 1 A 63 63 ASN H H 63 8.650 9.041 -0.391 1
2 499 . 6 1 1 A 63 63 ASN HA H 63 4.740 4.417 0.323 1
2 504 . 6 1 1 A 63 63 ASN C C 63 175.300 175.399 -0.099 1
2 505 . 6 1 1 A 63 63 ASN CA C 63 53.300 55.826 -2.526 1
2 506 . 6 1 1 A 63 63 ASN CB C 63 39.000 38.286 0.714 1
2 507 . 6 1 1 A 63 63 ASN N N 63 121.200 123.064 -1.864 1
2 509 . 6 1 1 A 64 64 SER H H 64 8.370 7.639 0.731 1
2 510 . 6 1 1 A 64 64 SER HA H 64 4.420 4.554 -0.134 1
2 513 . 6 1 1 A 64 64 SER C C 64 174.300 173.625 0.675 1
2 514 . 6 1 1 A 64 64 SER CA C 64 58.400 57.186 1.214 1
2 515 . 6 1 1 A 64 64 SER CB C 64 63.900 64.506 -0.606 1
2 516 . 6 1 1 A 64 64 SER N N 64 116.900 111.705 5.195 1
2 517 . 6 1 1 A 65 65 ALA H H 65 8.370 8.653 -0.283 1
2 518 . 6 1 1 A 65 65 ALA HA H 65 4.330 4.806 -0.476 1
2 522 . 6 1 1 A 65 65 ALA C C 65 177.800 177.077 0.723 1
2 523 . 6 1 1 A 65 65 ALA CA C 65 52.700 50.582 2.118 1
2 524 . 6 1 1 A 65 65 ALA CB C 65 19.300 20.591 -1.291 1
2 525 . 6 1 1 A 65 65 ALA N N 65 126.000 127.322 -1.322 1
2 526 . 6 1 1 A 66 66 ARG H H 66 8.230 8.685 -0.455 1
2 527 . 6 1 1 A 66 66 ARG HA H 66 4.300 4.041 0.259 1
2 531 . 6 1 1 A 66 66 ARG C C 66 176.100 176.581 -0.481 1
2 532 . 6 1 1 A 66 66 ARG CA C 66 56.000 57.001 -1.001 1
2 533 . 6 1 1 A 66 66 ARG CB C 66 30.800 29.139 1.661 1
2 534 . 6 1 1 A 66 66 ARG N N 66 120.400 122.682 -2.282 1
2 536 . 6 1 1 A 67 67 ALA H H 67 8.290 8.586 -0.296 1
2 537 . 6 1 1 A 67 67 ALA HA H 67 4.290 3.976 0.314 1
2 541 . 6 1 1 A 67 67 ALA C C 67 177.600 177.542 0.058 1
2 542 . 6 1 1 A 67 67 ALA CA C 67 52.500 54.446 -1.946 1
2 543 . 6 1 1 A 67 67 ALA CB C 67 19.200 18.494 0.706 1
2 544 . 6 1 1 A 67 67 ALA N N 67 125.700 126.295 -0.595 1
2 545 . 6 1 1 A 68 68 ALA H H 68 8.270 7.692 0.578 1
2 546 . 6 1 1 A 68 68 ALA HA H 68 4.290 4.674 -0.384 1
2 550 . 6 1 1 A 68 68 ALA C C 68 178.600 177.875 0.725 1
2 551 . 6 1 1 A 68 68 ALA CA C 68 52.400 51.093 1.307 1
2 552 . 6 1 1 A 68 68 ALA CB C 68 19.200 19.448 -0.248 1
2 553 . 6 1 1 A 68 68 ALA N N 68 123.100 120.572 2.528 1
2 554 . 6 1 1 A 69 69 ALA H H 69 8.260 7.515 0.745 1
2 555 . 6 1 1 A 69 69 ALA HA H 69 4.300 3.945 0.355 1
2 559 . 6 1 1 A 69 69 ALA C C 69 177.600 179.702 -2.102 1
2 560 . 6 1 1 A 69 69 ALA CA C 69 52.500 55.183 -2.683 1
2 561 . 6 1 1 A 69 69 ALA CB C 69 19.200 18.559 0.641 1
2 562 . 6 1 1 A 69 69 ALA N N 69 123.500 121.912 1.588 1
2 563 . 6 1 1 A 70 70 ASN H H 70 8.390 8.295 0.095 1
2 564 . 6 1 1 A 70 70 ASN HA H 70 4.750 4.489 0.261 1
2 567 . 6 1 1 A 70 70 ASN C C 70 175.200 176.743 -1.543 1
2 568 . 6 1 1 A 70 70 ASN CA C 70 53.300 56.636 -3.336 1
2 569 . 6 1 1 A 70 70 ASN CB C 70 39.000 38.302 0.698 1
2 570 . 6 1 1 A 70 70 ASN N N 70 117.500 117.332 0.168 1
2 571 . 6 1 1 A 71 71 SER H H 71 8.240 7.505 0.735 1
2 572 . 6 1 1 A 71 71 SER HA H 71 4.520 4.288 0.232 1
2 575 . 6 1 1 A 71 71 SER C C 71 173.700 174.410 -0.710 1
2 576 . 6 1 1 A 71 71 SER CA C 71 58.400 59.910 -1.510 1
2 577 . 6 1 1 A 71 71 SER CB C 71 64.200 63.488 0.712 1
2 578 . 6 1 1 A 71 71 SER N N 71 116.200 114.459 1.741 1
2 5 . 7 1 1 A 2 2 SER H H 2 8.720 8.266 0.454 1
2 6 . 7 1 1 A 2 2 SER HA H 2 4.600 4.695 -0.095 1
2 9 . 7 1 1 A 2 2 SER C C 2 174.800 173.565 1.235 1
2 10 . 7 1 1 A 2 2 SER CA C 2 58.300 58.270 0.030 1
2 11 . 7 1 1 A 2 2 SER CB C 2 64.000 63.032 0.968 1
2 12 . 7 1 1 A 2 2 SER N N 2 115.900 116.657 -0.757 1
2 13 . 7 1 1 A 3 3 THR H H 3 8.340 8.608 -0.268 1
2 14 . 7 1 1 A 3 3 THR HA H 3 4.390 4.175 0.215 1
2 16 . 7 1 1 A 3 3 THR C C 3 174.600 174.882 -0.282 1
2 17 . 7 1 1 A 3 3 THR CA C 3 62.000 64.380 -2.380 1
2 18 . 7 1 1 A 3 3 THR CB C 3 69.800 69.046 0.754 1
2 19 . 7 1 1 A 3 3 THR N N 3 116.100 122.302 -6.202 1
2 20 . 7 1 1 A 4 4 MET H H 4 8.430 8.669 -0.239 1
2 21 . 7 1 1 A 4 4 MET HA H 4 4.460 4.524 -0.064 1
2 24 . 7 1 1 A 4 4 MET C C 4 175.800 176.915 -1.115 1
2 25 . 7 1 1 A 4 4 MET CA C 4 55.600 55.195 0.405 1
2 26 . 7 1 1 A 4 4 MET CB C 4 33.000 33.053 -0.053 1
2 27 . 7 1 1 A 4 4 MET N N 4 122.900 124.962 -2.062 1
2 28 . 7 1 1 A 5 5 ALA H H 5 8.330 8.332 -0.002 1
2 29 . 7 1 1 A 5 5 ALA HA H 5 4.310 4.273 0.037 1
2 33 . 7 1 1 A 5 5 ALA C C 5 177.500 177.004 0.496 1
2 34 . 7 1 1 A 5 5 ALA CA C 5 52.600 51.897 0.703 1
2 35 . 7 1 1 A 5 5 ALA CB C 5 19.200 20.062 -0.862 1
2 36 . 7 1 1 A 5 5 ALA N N 5 125.600 124.726 0.874 1
2 37 . 7 1 1 A 6 6 GLU H H 6 8.220 8.544 -0.324 1
2 38 . 7 1 1 A 6 6 GLU HA H 6 4.310 4.485 -0.175 1
2 41 . 7 1 1 A 6 6 GLU C C 6 176.200 176.278 -0.078 1
2 42 . 7 1 1 A 6 6 GLU CA C 6 56.100 55.735 0.365 1
2 43 . 7 1 1 A 6 6 GLU CB C 6 30.600 30.027 0.573 1
2 44 . 7 1 1 A 6 6 GLU N N 6 119.900 118.944 0.956 1
2 45 . 7 1 1 A 7 7 GLU H H 7 8.450 8.892 -0.442 1
2 46 . 7 1 1 A 7 7 GLU HA H 7 4.440 4.495 -0.055 1
2 49 . 7 1 1 A 7 7 GLU C C 7 176.000 175.646 0.354 1
2 50 . 7 1 1 A 7 7 GLU CA C 7 56.500 56.603 -0.103 1
2 51 . 7 1 1 A 7 7 GLU CB C 7 30.700 31.155 -0.455 1
2 52 . 7 1 1 A 7 7 GLU N N 7 122.400 126.489 -4.089 1
2 53 . 7 1 1 A 8 8 VAL H H 8 8.490 8.342 0.148 1
2 54 . 7 1 1 A 8 8 VAL HA H 8 4.210 4.751 -0.541 1
2 56 . 7 1 1 A 8 8 VAL C C 8 175.900 175.000 0.900 1
2 57 . 7 1 1 A 8 8 VAL CA C 8 62.200 60.744 1.456 1
2 58 . 7 1 1 A 8 8 VAL CB C 8 33.300 35.888 -2.588 1
2 59 . 7 1 1 A 8 8 VAL N N 8 123.400 119.987 3.413 1
2 60 . 7 1 1 A 9 9 VAL H H 9 8.360 8.750 -0.390 1
2 61 . 7 1 1 A 9 9 VAL HA H 9 4.430 4.954 -0.524 1
2 63 . 7 1 1 A 9 9 VAL C C 9 176.300 174.754 1.546 1
2 64 . 7 1 1 A 9 9 VAL CA C 9 61.700 59.389 2.311 1
2 65 . 7 1 1 A 9 9 VAL CB C 9 33.000 34.714 -1.714 1
2 66 . 7 1 1 A 9 9 VAL N N 9 126.800 121.225 5.575 1
2 67 . 7 1 1 A 10 10 VAL H H 10 8.900 8.886 0.014 1
2 68 . 7 1 1 A 10 10 VAL HA H 10 4.980 5.328 -0.348 1
2 70 . 7 1 1 A 10 10 VAL C C 10 173.400 173.841 -0.441 1
2 71 . 7 1 1 A 10 10 VAL CA C 10 58.300 59.364 -1.064 1
2 72 . 7 1 1 A 10 10 VAL CB C 10 35.100 34.903 0.197 1
2 73 . 7 1 1 A 10 10 VAL N N 10 119.700 121.275 -1.575 1
2 74 . 7 1 1 A 11 11 VAL H H 11 8.550 9.321 -0.771 1
2 75 . 7 1 1 A 11 11 VAL HA H 11 5.000 4.844 0.156 1
2 77 . 7 1 1 A 11 11 VAL C C 11 176.700 174.257 2.443 1
2 78 . 7 1 1 A 11 11 VAL CA C 11 59.600 59.523 0.077 1
2 79 . 7 1 1 A 11 11 VAL CB C 11 35.100 34.430 0.670 1
2 80 . 7 1 1 A 11 11 VAL N N 11 118.700 124.403 -5.703 1
2 81 . 7 1 1 A 12 12 ALA H H 12 8.770 8.876 -0.106 1
2 82 . 7 1 1 A 12 12 ALA HA H 12 4.580 4.927 -0.347 1
2 86 . 7 1 1 A 12 12 ALA C C 12 178.600 178.497 0.103 1
2 87 . 7 1 1 A 12 12 ALA CA C 12 52.800 51.040 1.760 1
2 88 . 7 1 1 A 12 12 ALA CB C 12 19.900 20.025 -0.125 1
2 89 . 7 1 1 A 12 12 ALA N N 12 128.500 129.441 -0.941 1
2 90 . 7 1 1 A 13 13 LYS H H 13 9.370 9.051 0.319 1
2 91 . 7 1 1 A 13 13 LYS HA H 13 3.850 4.154 -0.304 1
2 94 . 7 1 1 A 13 13 LYS C C 13 174.700 175.542 -0.842 1
2 95 . 7 1 1 A 13 13 LYS CA C 13 57.300 56.891 0.409 1
2 96 . 7 1 1 A 13 13 LYS CB C 13 33.800 33.000 0.800 1
2 97 . 7 1 1 A 13 13 LYS N N 13 126.700 119.297 7.403 1
2 98 . 7 1 1 A 14 14 PHE H H 14 7.140 7.588 -0.448 1
2 99 . 7 1 1 A 14 14 PHE HA H 14 4.800 5.097 -0.297 1
2 102 . 7 1 1 A 14 14 PHE C C 14 173.600 174.368 -0.768 1
2 103 . 7 1 1 A 14 14 PHE CA C 14 53.700 56.686 -2.986 1
2 104 . 7 1 1 A 14 14 PHE CB C 14 43.700 44.056 -0.356 1
2 105 . 7 1 1 A 14 14 PHE N N 14 111.600 117.999 -6.399 1
2 106 . 7 1 1 A 15 15 ASP H H 15 8.360 9.090 -0.730 1
2 107 . 7 1 1 A 15 15 ASP HA H 15 4.790 5.768 -0.978 1
2 110 . 7 1 1 A 15 15 ASP C C 15 176.400 174.223 2.177 1
2 111 . 7 1 1 A 15 15 ASP CA C 15 54.700 52.852 1.848 1
2 112 . 7 1 1 A 15 15 ASP CB C 15 41.600 43.523 -1.923 1
2 113 . 7 1 1 A 15 15 ASP N N 15 117.400 118.753 -1.353 1
2 114 . 7 1 1 A 16 16 TYR H H 16 8.860 8.896 -0.036 1
2 115 . 7 1 1 A 16 16 TYR HA H 16 4.750 5.176 -0.426 1
2 118 . 7 1 1 A 16 16 TYR C C 16 173.700 173.463 0.237 1
2 119 . 7 1 1 A 16 16 TYR CA C 16 59.500 56.904 2.596 1
2 120 . 7 1 1 A 16 16 TYR CB C 16 41.500 42.203 -0.703 1
2 121 . 7 1 1 A 16 16 TYR N N 16 121.000 122.680 -1.680 1
2 122 . 7 1 1 A 17 17 VAL H H 17 7.180 8.316 -1.136 1
2 123 . 7 1 1 A 17 17 VAL HA H 17 4.150 4.208 -0.058 1
2 125 . 7 1 1 A 17 17 VAL C C 17 174.500 175.094 -0.594 1
2 126 . 7 1 1 A 17 17 VAL CA C 17 60.600 60.808 -0.208 1
2 127 . 7 1 1 A 17 17 VAL CB C 17 32.300 32.806 -0.506 1
2 128 . 7 1 1 A 17 17 VAL N N 17 129.100 123.850 5.250 1
2 129 . 7 1 1 A 18 18 ALA H H 18 8.640 8.166 0.474 1
2 130 . 7 1 1 A 18 18 ALA HA H 18 4.230 4.716 -0.486 1
2 134 . 7 1 1 A 18 18 ALA C C 18 179.100 178.100 1.000 1
2 135 . 7 1 1 A 18 18 ALA CA C 18 53.300 52.237 1.063 1
2 136 . 7 1 1 A 18 18 ALA CB C 18 19.900 19.255 0.645 1
2 137 . 7 1 1 A 18 18 ALA N N 18 128.900 131.261 -2.361 1
2 138 . 7 1 1 A 19 19 GLN H H 19 9.080 8.735 0.345 1
2 139 . 7 1 1 A 19 19 GLN HA H 19 4.320 3.924 0.396 1
2 144 . 7 1 1 A 19 19 GLN C C 19 175.500 177.452 -1.952 1
2 145 . 7 1 1 A 19 19 GLN CA C 19 55.100 60.087 -4.987 1
2 146 . 7 1 1 A 19 19 GLN CB C 19 31.200 29.014 2.186 1
2 148 . 7 1 1 A 19 19 GLN N N 19 120.400 125.029 -4.629 1
2 150 . 7 1 1 A 20 20 GLN H H 20 7.220 8.042 -0.822 1
2 151 . 7 1 1 A 20 20 GLN HA H 20 4.590 4.377 0.213 1
2 156 . 7 1 1 A 20 20 GLN C C 20 176.800 176.777 0.023 1
2 157 . 7 1 1 A 20 20 GLN CA C 20 53.900 55.271 -1.371 1
2 158 . 7 1 1 A 20 20 GLN CB C 20 32.400 29.798 2.602 1
2 159 . 7 1 1 A 20 20 GLN N N 20 114.500 117.486 -2.986 1
2 161 . 7 1 1 A 21 21 GLU H H 21 8.980 8.960 0.020 1
2 162 . 7 1 1 A 21 21 GLU HA H 21 4.090 4.083 0.007 1
2 164 . 7 1 1 A 21 21 GLU C C 21 176.900 178.804 -1.904 1
2 165 . 7 1 1 A 21 21 GLU CA C 21 59.500 58.634 0.866 1
2 166 . 7 1 1 A 21 21 GLU CB C 21 29.700 29.176 0.524 1
2 167 . 7 1 1 A 21 21 GLU N N 21 121.600 122.764 -1.164 1
2 168 . 7 1 1 A 22 22 GLN H H 22 8.470 7.922 0.548 1
2 169 . 7 1 1 A 22 22 GLN HA H 22 4.540 4.133 0.407 1
2 174 . 7 1 1 A 22 22 GLN C C 22 176.700 176.529 0.171 1
2 175 . 7 1 1 A 22 22 GLN CA C 22 56.700 58.544 -1.844 1
2 176 . 7 1 1 A 22 22 GLN CB C 22 28.000 28.933 -0.933 1
2 178 . 7 1 1 A 22 22 GLN N N 22 113.600 120.263 -6.663 1
2 180 . 7 1 1 A 23 23 GLU H H 23 7.730 7.974 -0.244 1
2 181 . 7 1 1 A 23 23 GLU HA H 23 5.340 4.551 0.789 1
2 184 . 7 1 1 A 23 23 GLU C C 23 174.700 175.770 -1.070 1
2 185 . 7 1 1 A 23 23 GLU CA C 23 55.600 57.204 -1.604 1
2 186 . 7 1 1 A 23 23 GLU CB C 23 32.400 30.732 1.668 1
2 187 . 7 1 1 A 23 23 GLU N N 23 120.200 118.865 1.335 1
2 188 . 7 1 1 A 24 24 LEU H H 24 7.900 8.707 -0.807 1
2 189 . 7 1 1 A 24 24 LEU HA H 24 4.680 5.145 -0.465 1
2 192 . 7 1 1 A 24 24 LEU C C 24 174.300 176.294 -1.994 1
2 193 . 7 1 1 A 24 24 LEU CA C 24 53.200 53.737 -0.537 1
2 194 . 7 1 1 A 24 24 LEU CB C 24 46.500 44.311 2.189 1
2 195 . 7 1 1 A 24 24 LEU N N 24 122.400 123.022 -0.622 1
2 196 . 7 1 1 A 25 25 ASP H H 25 7.640 8.830 -1.190 1
2 197 . 7 1 1 A 25 25 ASP HA H 25 5.160 4.847 0.313 1
2 200 . 7 1 1 A 25 25 ASP C C 25 176.800 176.562 0.238 1
2 201 . 7 1 1 A 25 25 ASP CA C 25 54.200 54.105 0.095 1
2 202 . 7 1 1 A 25 25 ASP CB C 25 42.300 41.311 0.989 1
2 203 . 7 1 1 A 25 25 ASP N N 25 121.400 124.280 -2.880 1
2 204 . 7 1 1 A 26 26 ILE H H 26 8.930 8.725 0.205 1
2 205 . 7 1 1 A 26 26 ILE HA H 26 5.120 5.353 -0.233 1
2 207 . 7 1 1 A 26 26 ILE C C 26 175.200 174.147 1.053 1
2 208 . 7 1 1 A 26 26 ILE CA C 26 59.700 58.737 0.963 1
2 209 . 7 1 1 A 26 26 ILE CB C 26 42.400 42.486 -0.086 1
2 210 . 7 1 1 A 26 26 ILE N N 26 115.600 118.933 -3.333 1
2 211 . 7 1 1 A 27 27 LYS H H 27 8.930 8.406 0.524 1
2 212 . 7 1 1 A 27 27 LYS HA H 27 5.090 4.828 0.262 1
2 215 . 7 1 1 A 27 27 LYS C C 27 175.300 174.675 0.625 1
2 216 . 7 1 1 A 27 27 LYS CA C 27 52.900 55.145 -2.245 1
2 217 . 7 1 1 A 27 27 LYS CB C 27 35.400 36.564 -1.164 1
2 218 . 7 1 1 A 27 27 LYS N N 27 123.000 121.643 1.357 1
2 219 . 7 1 1 A 28 28 LYS H H 28 8.990 8.617 0.373 1
2 220 . 7 1 1 A 28 28 LYS HA H 28 3.110 3.973 -0.863 1
2 222 . 7 1 1 A 28 28 LYS C C 28 177.000 177.391 -0.391 1
2 223 . 7 1 1 A 28 28 LYS CA C 28 59.200 58.128 1.072 1
2 224 . 7 1 1 A 28 28 LYS CB C 28 32.600 32.242 0.358 1
2 225 . 7 1 1 A 28 28 LYS N N 28 121.200 126.555 -5.355 1
2 226 . 7 1 1 A 29 29 ASN H H 29 8.700 9.139 -0.439 1
2 227 . 7 1 1 A 29 29 ASN HA H 29 4.180 4.156 0.024 1
2 232 . 7 1 1 A 29 29 ASN C C 29 174.200 174.326 -0.126 1
2 233 . 7 1 1 A 29 29 ASN CA C 29 55.900 54.259 1.641 1
2 234 . 7 1 1 A 29 29 ASN CB C 29 37.400 37.339 0.061 1
2 235 . 7 1 1 A 29 29 ASN N N 29 118.300 122.385 -4.085 1
2 237 . 7 1 1 A 30 30 GLU H H 30 8.660 7.868 0.792 1
2 238 . 7 1 1 A 30 30 GLU HA H 30 4.160 4.897 -0.737 1
2 241 . 7 1 1 A 30 30 GLU C C 30 175.200 174.918 0.282 1
2 242 . 7 1 1 A 30 30 GLU CA C 30 57.700 54.949 2.751 1
2 243 . 7 1 1 A 30 30 GLU CB C 30 31.800 32.525 -0.725 1
2 244 . 7 1 1 A 30 30 GLU N N 30 124.200 117.581 6.619 1
2 245 . 7 1 1 A 31 31 ARG H H 31 8.490 8.739 -0.249 1
2 246 . 7 1 1 A 31 31 ARG HA H 31 4.580 4.640 -0.060 1
2 250 . 7 1 1 A 31 31 ARG C C 31 175.000 175.547 -0.547 1
2 251 . 7 1 1 A 31 31 ARG CA C 31 56.200 55.869 0.331 1
2 252 . 7 1 1 A 31 31 ARG CB C 31 30.800 30.803 -0.003 1
2 253 . 7 1 1 A 31 31 ARG N N 31 125.000 126.666 -1.666 1
2 255 . 7 1 1 A 32 32 LEU H H 32 8.860 9.161 -0.301 1
2 256 . 7 1 1 A 32 32 LEU HA H 32 4.840 4.566 0.274 1
2 259 . 7 1 1 A 32 32 LEU C C 32 174.400 175.369 -0.969 1
2 260 . 7 1 1 A 32 32 LEU CA C 32 53.300 53.165 0.135 1
2 261 . 7 1 1 A 32 32 LEU CB C 32 46.300 45.639 0.661 1
2 262 . 7 1 1 A 32 32 LEU N N 32 125.600 124.995 0.605 1
2 263 . 7 1 1 A 33 33 TRP H H 33 9.160 8.685 0.475 1
2 264 . 7 1 1 A 33 33 TRP HA H 33 5.100 5.307 -0.207 1
2 268 . 7 1 1 A 33 33 TRP C C 33 176.000 175.809 0.191 1
2 269 . 7 1 1 A 33 33 TRP CA C 33 58.300 56.345 1.955 1
2 270 . 7 1 1 A 33 33 TRP CB C 33 31.000 31.149 -0.149 1
2 271 . 7 1 1 A 33 33 TRP N N 33 121.000 122.336 -1.336 1
2 273 . 7 1 1 A 34 34 LEU H H 34 9.130 8.735 0.395 1
2 274 . 7 1 1 A 34 34 LEU HA H 34 4.330 4.453 -0.123 1
2 277 . 7 1 1 A 34 34 LEU C C 34 175.400 176.018 -0.618 1
2 278 . 7 1 1 A 34 34 LEU CA C 34 55.600 55.472 0.128 1
2 279 . 7 1 1 A 34 34 LEU CB C 34 43.700 42.573 1.127 1
2 280 . 7 1 1 A 34 34 LEU N N 34 125.100 126.543 -1.443 1
2 281 . 7 1 1 A 35 35 LEU H H 35 9.020 8.939 0.081 1
2 282 . 7 1 1 A 35 35 LEU HA H 35 4.620 4.349 0.271 1
2 285 . 7 1 1 A 35 35 LEU C C 35 177.400 176.213 1.187 1
2 286 . 7 1 1 A 35 35 LEU CA C 35 55.400 56.226 -0.826 1
2 287 . 7 1 1 A 35 35 LEU CB C 35 42.600 42.513 0.087 1
2 288 . 7 1 1 A 35 35 LEU N N 35 126.300 127.840 -1.540 1
2 289 . 7 1 1 A 36 36 ASP H H 36 7.460 7.612 -0.152 1
2 290 . 7 1 1 A 36 36 ASP HA H 36 4.760 4.832 -0.072 1
2 293 . 7 1 1 A 36 36 ASP C C 36 175.000 175.229 -0.229 1
2 294 . 7 1 1 A 36 36 ASP CA C 36 55.200 52.806 2.394 1
2 295 . 7 1 1 A 36 36 ASP CB C 36 43.400 42.498 0.902 1
2 296 . 7 1 1 A 36 36 ASP N N 36 115.400 117.209 -1.809 1
2 297 . 7 1 1 A 37 37 ASP H H 37 8.330 8.417 -0.087 1
2 298 . 7 1 1 A 37 37 ASP HA H 37 3.940 4.649 -0.709 1
2 301 . 7 1 1 A 37 37 ASP C C 37 176.400 176.326 0.074 1
2 302 . 7 1 1 A 37 37 ASP CA C 37 52.200 52.589 -0.389 1
2 303 . 7 1 1 A 37 37 ASP CB C 37 39.900 39.475 0.425 1
2 304 . 7 1 1 A 37 37 ASP N N 37 128.400 123.822 4.578 1
2 305 . 7 1 1 A 38 38 SER H H 38 8.470 8.187 0.283 1
2 306 . 7 1 1 A 38 38 SER HA H 38 4.210 4.613 -0.403 1
2 309 . 7 1 1 A 38 38 SER C C 38 175.300 174.579 0.721 1
2 310 . 7 1 1 A 38 38 SER CA C 38 61.600 60.313 1.287 1
2 311 . 7 1 1 A 38 38 SER CB C 38 64.100 64.489 -0.389 1
2 312 . 7 1 1 A 38 38 SER N N 38 115.700 114.812 0.888 1
2 313 . 7 1 1 A 39 39 LYS H H 39 8.440 7.603 0.837 1
2 314 . 7 1 1 A 39 39 LYS HA H 39 4.910 4.466 0.444 1
2 317 . 7 1 1 A 39 39 LYS C C 39 175.900 177.722 -1.822 1
2 318 . 7 1 1 A 39 39 LYS CA C 39 55.000 56.016 -1.016 1
2 319 . 7 1 1 A 39 39 LYS CB C 39 34.300 33.393 0.907 1
2 320 . 7 1 1 A 39 39 LYS N N 39 122.300 120.385 1.915 1
2 321 . 7 1 1 A 40 40 SER H H 40 8.360 8.930 -0.570 1
2 322 . 7 1 1 A 40 40 SER HA H 40 4.310 4.210 0.100 1
2 325 . 7 1 1 A 40 40 SER C C 40 175.200 174.478 0.722 1
2 326 . 7 1 1 A 40 40 SER CA C 40 60.900 61.865 -0.965 1
2 327 . 7 1 1 A 40 40 SER CB C 40 63.100 63.247 -0.147 1
2 328 . 7 1 1 A 40 40 SER N N 40 112.600 118.035 -5.435 1
2 329 . 7 1 1 A 41 41 TRP H H 41 7.440 8.181 -0.741 1
2 330 . 7 1 1 A 41 41 TRP HA H 41 4.840 4.875 -0.035 1
2 334 . 7 1 1 A 41 41 TRP C C 41 175.500 176.415 -0.915 1
2 335 . 7 1 1 A 41 41 TRP CA C 41 56.800 56.898 -0.098 1
2 336 . 7 1 1 A 41 41 TRP CB C 41 29.600 29.679 -0.079 1
2 337 . 7 1 1 A 41 41 TRP N N 41 121.300 119.208 2.092 1
2 339 . 7 1 1 A 42 42 TRP H H 42 9.350 8.957 0.393 1
2 340 . 7 1 1 A 42 42 TRP HA H 42 5.440 5.124 0.316 1
2 344 . 7 1 1 A 42 42 TRP C C 42 175.000 176.140 -1.140 1
2 345 . 7 1 1 A 42 42 TRP CA C 42 54.300 57.587 -3.287 1
2 346 . 7 1 1 A 42 42 TRP CB C 42 30.800 29.455 1.345 1
2 347 . 7 1 1 A 42 42 TRP N N 42 125.400 125.197 0.203 1
2 349 . 7 1 1 A 43 43 ARG H H 43 8.810 9.107 -0.297 1
2 350 . 7 1 1 A 43 43 ARG HA H 43 4.530 4.555 -0.025 1
2 354 . 7 1 1 A 43 43 ARG C C 43 175.600 176.109 -0.509 1
2 355 . 7 1 1 A 43 43 ARG CA C 43 55.400 56.092 -0.692 1
2 356 . 7 1 1 A 43 43 ARG CB C 43 32.200 30.372 1.828 1
2 357 . 7 1 1 A 43 43 ARG N N 43 124.200 126.256 -2.056 1
2 359 . 7 1 1 A 44 44 VAL H H 44 9.210 8.780 0.430 1
2 360 . 7 1 1 A 44 44 VAL HA H 44 5.510 5.149 0.361 1
2 362 . 7 1 1 A 44 44 VAL C C 44 172.800 173.987 -1.187 1
2 363 . 7 1 1 A 44 44 VAL CA C 44 58.800 58.691 0.109 1
2 364 . 7 1 1 A 44 44 VAL CB C 44 36.600 36.244 0.356 1
2 365 . 7 1 1 A 44 44 VAL N N 44 121.400 119.035 2.365 1
2 366 . 7 1 1 A 45 45 ARG H H 45 9.260 9.124 0.136 1
2 367 . 7 1 1 A 45 45 ARG HA H 45 5.510 5.332 0.178 1
2 371 . 7 1 1 A 45 45 ARG C C 45 175.700 173.972 1.728 1
2 372 . 7 1 1 A 45 45 ARG CA C 45 53.700 53.813 -0.113 1
2 373 . 7 1 1 A 45 45 ARG CB C 45 35.400 33.971 1.429 1
2 374 . 7 1 1 A 45 45 ARG N N 45 120.000 121.487 -1.487 1
2 376 . 7 1 1 A 46 46 ASN H H 46 8.820 9.197 -0.377 1
2 377 . 7 1 1 A 46 46 ASN HA H 46 5.470 5.388 0.082 1
2 382 . 7 1 1 A 46 46 ASN C C 46 178.500 176.978 1.522 1
2 383 . 7 1 1 A 46 46 ASN CA C 46 50.600 51.386 -0.786 1
2 384 . 7 1 1 A 46 46 ASN CB C 46 41.000 41.641 -0.641 1
2 385 . 7 1 1 A 46 46 ASN N N 46 123.300 123.975 -0.675 1
2 387 . 7 1 1 A 47 47 SER H H 47 9.730 9.059 0.671 1
2 388 . 7 1 1 A 47 47 SER HA H 47 4.320 4.387 -0.067 1
2 391 . 7 1 1 A 47 47 SER C C 47 175.200 175.488 -0.288 1
2 392 . 7 1 1 A 47 47 SER CA C 47 61.500 61.565 -0.065 1
2 393 . 7 1 1 A 47 47 SER CB C 47 63.100 63.036 0.064 1
2 394 . 7 1 1 A 47 47 SER N N 47 115.000 119.029 -4.029 1
2 395 . 7 1 1 A 48 48 MET H H 48 7.650 8.011 -0.361 1
2 396 . 7 1 1 A 48 48 MET HA H 48 4.730 4.572 0.158 1
2 399 . 7 1 1 A 48 48 MET C C 48 175.800 176.163 -0.363 1
2 400 . 7 1 1 A 48 48 MET CA C 48 54.500 55.757 -1.257 1
2 401 . 7 1 1 A 48 48 MET CB C 48 31.600 33.309 -1.709 1
2 402 . 7 1 1 A 48 48 MET N N 48 120.300 119.186 1.114 1
2 403 . 7 1 1 A 49 49 ASN H H 49 8.430 8.099 0.331 1
2 404 . 7 1 1 A 49 49 ASN HA H 49 4.210 4.453 -0.243 1
2 409 . 7 1 1 A 49 49 ASN C C 49 174.200 174.272 -0.072 1
2 410 . 7 1 1 A 49 49 ASN CA C 49 54.900 54.341 0.559 1
2 411 . 7 1 1 A 49 49 ASN CB C 49 37.100 36.531 0.569 1
2 412 . 7 1 1 A 49 49 ASN N N 49 113.400 116.986 -3.586 1
2 414 . 7 1 1 A 50 50 LYS H H 50 8.090 7.797 0.293 1
2 415 . 7 1 1 A 50 50 LYS HA H 50 4.560 4.293 0.267 1
2 418 . 7 1 1 A 50 50 LYS C C 50 175.500 175.435 0.065 1
2 419 . 7 1 1 A 50 50 LYS CA C 50 55.600 56.582 -0.982 1
2 420 . 7 1 1 A 50 50 LYS CB C 50 33.300 33.759 -0.459 1
2 421 . 7 1 1 A 50 50 LYS N N 50 121.000 120.753 0.247 1
2 422 . 7 1 1 A 51 51 THR H H 51 8.310 8.687 -0.377 1
2 423 . 7 1 1 A 51 51 THR HA H 51 5.730 5.225 0.505 1
2 425 . 7 1 1 A 51 51 THR C C 51 174.600 174.171 0.429 1
2 426 . 7 1 1 A 51 51 THR CA C 51 59.300 60.123 -0.823 1
2 427 . 7 1 1 A 51 51 THR CB C 51 71.900 72.108 -0.208 1
2 428 . 7 1 1 A 51 51 THR N N 51 113.800 115.872 -2.072 1
2 429 . 7 1 1 A 52 52 GLY H H 52 8.630 8.072 0.558 1
2 430 . 7 1 1 A 52 52 GLY HA2 H 52 4.090 4.279 -0.189 1
2 431 . 7 1 1 A 52 52 GLY HA3 H 52 3.920 4.332 -0.412 1
2 432 . 7 1 1 A 52 52 GLY C C 52 170.500 171.489 -0.989 1
2 433 . 7 1 1 A 52 52 GLY CA C 52 45.600 45.443 0.157 1
2 434 . 7 1 1 A 52 52 GLY N N 52 107.900 111.464 -3.564 1
2 435 . 7 1 1 A 53 53 PHE H H 53 9.030 8.702 0.328 1
2 436 . 7 1 1 A 53 53 PHE HA H 53 5.850 5.337 0.513 1
2 439 . 7 1 1 A 53 53 PHE C C 53 176.400 175.860 0.540 1
2 440 . 7 1 1 A 53 53 PHE CA C 53 58.000 57.823 0.177 1
2 441 . 7 1 1 A 53 53 PHE CB C 53 42.800 40.815 1.985 1
2 442 . 7 1 1 A 53 53 PHE N N 53 118.200 119.253 -1.053 1
2 443 . 7 1 1 A 54 54 VAL H H 54 9.150 9.084 0.066 1
2 444 . 7 1 1 A 54 54 VAL HA H 54 4.790 5.146 -0.356 1
2 445 . 7 1 1 A 54 54 VAL CA C 54 57.600 58.330 -0.730 1
2 446 . 7 1 1 A 54 54 VAL CB C 54 33.300 34.756 -1.456 1
2 447 . 7 1 1 A 54 54 VAL N N 54 112.100 117.381 -5.281 1
2 448 . 7 1 1 A 57 57 ASN HA H 57 4.480 4.624 -0.144 1
2 453 . 7 1 1 A 57 57 ASN C C 57 175.500 176.154 -0.654 1
2 454 . 7 1 1 A 57 57 ASN CA C 57 53.900 54.535 -0.635 1
2 455 . 7 1 1 A 57 57 ASN CB C 57 36.600 38.625 -2.025 1
2 457 . 7 1 1 A 58 58 TYR H H 58 7.950 8.070 -0.120 1
2 458 . 7 1 1 A 58 58 TYR HA H 58 4.460 4.685 -0.225 1
2 461 . 7 1 1 A 58 58 TYR C C 58 175.200 175.780 -0.580 1
2 462 . 7 1 1 A 58 58 TYR CA C 58 59.100 58.840 0.260 1
2 463 . 7 1 1 A 58 58 TYR CB C 58 38.100 40.214 -2.114 1
2 464 . 7 1 1 A 58 58 TYR N N 58 118.400 116.855 1.545 1
2 465 . 7 1 1 A 59 59 VAL H H 59 7.300 7.484 -0.184 1
2 466 . 7 1 1 A 59 59 VAL HA H 59 5.080 5.058 0.022 1
2 468 . 7 1 1 A 59 59 VAL C C 59 173.100 174.475 -1.375 1
2 469 . 7 1 1 A 59 59 VAL CA C 59 58.700 59.688 -0.988 1
2 470 . 7 1 1 A 59 59 VAL CB C 59 35.500 34.547 0.953 1
2 471 . 7 1 1 A 59 59 VAL N N 59 111.800 114.621 -2.821 1
2 472 . 7 1 1 A 60 60 GLU H H 60 8.680 8.511 0.169 1
2 473 . 7 1 1 A 60 60 GLU HA H 60 4.790 4.709 0.081 1
2 476 . 7 1 1 A 60 60 GLU C C 60 175.600 174.814 0.786 1
2 477 . 7 1 1 A 60 60 GLU CA C 60 54.400 55.770 -1.370 1
2 478 . 7 1 1 A 60 60 GLU CB C 60 33.300 33.437 -0.137 1
2 479 . 7 1 1 A 60 60 GLU N N 60 118.900 120.587 -1.687 1
2 480 . 7 1 1 A 61 61 ARG H H 61 9.070 8.642 0.428 1
2 481 . 7 1 1 A 61 61 ARG HA H 61 4.540 4.413 0.127 1
2 485 . 7 1 1 A 61 61 ARG C C 61 175.900 176.009 -0.109 1
2 486 . 7 1 1 A 61 61 ARG CA C 61 56.500 56.284 0.216 1
2 487 . 7 1 1 A 61 61 ARG CB C 61 31.200 30.532 0.668 1
2 488 . 7 1 1 A 61 61 ARG N N 61 125.400 123.917 1.483 1
2 490 . 7 1 1 A 62 62 LYS H H 62 8.540 8.714 -0.174 1
2 491 . 7 1 1 A 62 62 LYS HA H 62 4.370 4.147 0.223 1
2 494 . 7 1 1 A 62 62 LYS C C 62 176.000 176.786 -0.786 1
2 495 . 7 1 1 A 62 62 LYS CA C 62 55.900 57.185 -1.285 1
2 496 . 7 1 1 A 62 62 LYS CB C 62 33.200 32.860 0.340 1
2 497 . 7 1 1 A 62 62 LYS N N 62 124.400 123.996 0.404 1
2 498 . 7 1 1 A 63 63 ASN H H 63 8.650 8.733 -0.083 1
2 499 . 7 1 1 A 63 63 ASN HA H 63 4.740 4.758 -0.018 1
2 504 . 7 1 1 A 63 63 ASN C C 63 175.300 174.875 0.425 1
2 505 . 7 1 1 A 63 63 ASN CA C 63 53.300 53.038 0.262 1
2 506 . 7 1 1 A 63 63 ASN CB C 63 39.000 39.228 -0.228 1
2 507 . 7 1 1 A 63 63 ASN N N 63 121.200 120.424 0.776 1
2 509 . 7 1 1 A 64 64 SER H H 64 8.370 7.728 0.642 1
2 510 . 7 1 1 A 64 64 SER HA H 64 4.420 4.451 -0.031 1
2 513 . 7 1 1 A 64 64 SER C C 64 174.300 172.890 1.410 1
2 514 . 7 1 1 A 64 64 SER CA C 64 58.400 57.653 0.747 1
2 515 . 7 1 1 A 64 64 SER CB C 64 63.900 62.207 1.693 1
2 516 . 7 1 1 A 64 64 SER N N 64 116.900 115.634 1.266 1
2 517 . 7 1 1 A 65 65 ALA H H 65 8.370 8.527 -0.157 1
2 518 . 7 1 1 A 65 65 ALA HA H 65 4.330 4.852 -0.522 1
2 522 . 7 1 1 A 65 65 ALA C C 65 177.800 176.575 1.225 1
2 523 . 7 1 1 A 65 65 ALA CA C 65 52.700 50.627 2.073 1
2 524 . 7 1 1 A 65 65 ALA CB C 65 19.300 19.897 -0.597 1
2 525 . 7 1 1 A 65 65 ALA N N 65 126.000 130.333 -4.333 1
2 526 . 7 1 1 A 66 66 ARG H H 66 8.230 8.729 -0.499 1
2 527 . 7 1 1 A 66 66 ARG HA H 66 4.300 4.283 0.017 1
2 531 . 7 1 1 A 66 66 ARG C C 66 176.100 177.658 -1.558 1
2 532 . 7 1 1 A 66 66 ARG CA C 66 56.000 56.986 -0.986 1
2 533 . 7 1 1 A 66 66 ARG CB C 66 30.800 30.472 0.328 1
2 534 . 7 1 1 A 66 66 ARG N N 66 120.400 124.890 -4.490 1
2 536 . 7 1 1 A 67 67 ALA H H 67 8.290 8.981 -0.691 1
2 537 . 7 1 1 A 67 67 ALA HA H 67 4.290 4.058 0.232 1
2 541 . 7 1 1 A 67 67 ALA C C 67 177.600 179.962 -2.362 1
2 542 . 7 1 1 A 67 67 ALA CA C 67 52.500 55.173 -2.673 1
2 543 . 7 1 1 A 67 67 ALA CB C 67 19.200 18.161 1.039 1
2 544 . 7 1 1 A 67 67 ALA N N 67 125.700 126.040 -0.340 1
2 545 . 7 1 1 A 68 68 ALA H H 68 8.270 8.193 0.077 1
2 546 . 7 1 1 A 68 68 ALA HA H 68 4.290 4.093 0.197 1
2 550 . 7 1 1 A 68 68 ALA C C 68 178.600 178.854 -0.254 1
2 551 . 7 1 1 A 68 68 ALA CA C 68 52.400 55.019 -2.619 1
2 552 . 7 1 1 A 68 68 ALA CB C 68 19.200 18.611 0.589 1
2 553 . 7 1 1 A 68 68 ALA N N 68 123.100 119.474 3.626 1
2 554 . 7 1 1 A 69 69 ALA H H 69 8.260 7.653 0.607 1
2 555 . 7 1 1 A 69 69 ALA HA H 69 4.300 4.196 0.104 1
2 559 . 7 1 1 A 69 69 ALA C C 69 177.600 176.742 0.858 1
2 560 . 7 1 1 A 69 69 ALA CA C 69 52.500 52.213 0.287 1
2 561 . 7 1 1 A 69 69 ALA CB C 69 19.200 18.776 0.424 1
2 562 . 7 1 1 A 69 69 ALA N N 69 123.500 120.259 3.241 1
2 563 . 7 1 1 A 70 70 ASN H H 70 8.390 8.942 -0.552 1
2 564 . 7 1 1 A 70 70 ASN HA H 70 4.750 5.175 -0.425 1
2 567 . 7 1 1 A 70 70 ASN C C 70 175.200 174.800 0.400 1
2 568 . 7 1 1 A 70 70 ASN CA C 70 53.300 52.354 0.946 1
2 569 . 7 1 1 A 70 70 ASN CB C 70 39.000 39.552 -0.552 1
2 570 . 7 1 1 A 70 70 ASN N N 70 117.500 123.492 -5.992 1
2 571 . 7 1 1 A 71 71 SER H H 71 8.240 8.738 -0.498 1
2 572 . 7 1 1 A 71 71 SER HA H 71 4.520 4.467 0.053 1
2 575 . 7 1 1 A 71 71 SER C C 71 173.700 173.690 0.010 1
2 576 . 7 1 1 A 71 71 SER CA C 71 58.400 59.982 -1.582 1
2 577 . 7 1 1 A 71 71 SER CB C 71 64.200 63.139 1.061 1
2 578 . 7 1 1 A 71 71 SER N N 71 116.200 121.129 -4.929 1
2 5 . 8 1 1 A 2 2 SER H H 2 8.720 8.519 0.201 1
2 6 . 8 1 1 A 2 2 SER HA H 2 4.600 4.650 -0.050 1
2 9 . 8 1 1 A 2 2 SER C C 2 174.800 173.978 0.822 1
2 10 . 8 1 1 A 2 2 SER CA C 2 58.300 59.432 -1.132 1
2 11 . 8 1 1 A 2 2 SER CB C 2 64.000 66.000 -2.000 1
2 12 . 8 1 1 A 2 2 SER N N 2 115.900 116.115 -0.215 1
2 13 . 8 1 1 A 3 3 THR H H 3 8.340 7.787 0.553 1
2 14 . 8 1 1 A 3 3 THR HA H 3 4.390 4.617 -0.227 1
2 16 . 8 1 1 A 3 3 THR C C 3 174.600 174.375 0.225 1
2 17 . 8 1 1 A 3 3 THR CA C 3 62.000 63.872 -1.872 1
2 18 . 8 1 1 A 3 3 THR CB C 3 69.800 69.592 0.208 1
2 19 . 8 1 1 A 3 3 THR N N 3 116.100 116.376 -0.276 1
2 20 . 8 1 1 A 4 4 MET H H 4 8.430 8.853 -0.423 1
2 21 . 8 1 1 A 4 4 MET HA H 4 4.460 5.137 -0.677 1
2 24 . 8 1 1 A 4 4 MET C C 4 175.800 174.519 1.281 1
2 25 . 8 1 1 A 4 4 MET CA C 4 55.600 54.322 1.278 1
2 26 . 8 1 1 A 4 4 MET CB C 4 33.000 37.182 -4.182 1
2 27 . 8 1 1 A 4 4 MET N N 4 122.900 124.626 -1.726 1
2 28 . 8 1 1 A 5 5 ALA H H 5 8.330 8.535 -0.205 1
2 29 . 8 1 1 A 5 5 ALA HA H 5 4.310 4.757 -0.447 1
2 33 . 8 1 1 A 5 5 ALA C C 5 177.500 177.488 0.012 1
2 34 . 8 1 1 A 5 5 ALA CA C 5 52.600 51.161 1.439 1
2 35 . 8 1 1 A 5 5 ALA CB C 5 19.200 19.887 -0.687 1
2 36 . 8 1 1 A 5 5 ALA N N 5 125.600 123.662 1.938 1
2 37 . 8 1 1 A 6 6 GLU H H 6 8.220 8.532 -0.312 1
2 38 . 8 1 1 A 6 6 GLU HA H 6 4.310 4.121 0.189 1
2 41 . 8 1 1 A 6 6 GLU C C 6 176.200 177.277 -1.077 1
2 42 . 8 1 1 A 6 6 GLU CA C 6 56.100 57.190 -1.090 1
2 43 . 8 1 1 A 6 6 GLU CB C 6 30.600 29.746 0.854 1
2 44 . 8 1 1 A 6 6 GLU N N 6 119.900 120.611 -0.711 1
2 45 . 8 1 1 A 7 7 GLU H H 7 8.450 8.605 -0.155 1
2 46 . 8 1 1 A 7 7 GLU HA H 7 4.440 5.043 -0.603 1
2 49 . 8 1 1 A 7 7 GLU C C 7 176.000 175.120 0.880 1
2 50 . 8 1 1 A 7 7 GLU CA C 7 56.500 54.638 1.862 1
2 51 . 8 1 1 A 7 7 GLU CB C 7 30.700 34.195 -3.495 1
2 52 . 8 1 1 A 7 7 GLU N N 7 122.400 124.651 -2.251 1
2 53 . 8 1 1 A 8 8 VAL H H 8 8.490 8.551 -0.061 1
2 54 . 8 1 1 A 8 8 VAL HA H 8 4.210 4.840 -0.630 1
2 56 . 8 1 1 A 8 8 VAL C C 8 175.900 174.986 0.914 1
2 57 . 8 1 1 A 8 8 VAL CA C 8 62.200 60.617 1.583 1
2 58 . 8 1 1 A 8 8 VAL CB C 8 33.300 35.599 -2.299 1
2 59 . 8 1 1 A 8 8 VAL N N 8 123.400 120.435 2.965 1
2 60 . 8 1 1 A 9 9 VAL H H 9 8.360 8.809 -0.449 1
2 61 . 8 1 1 A 9 9 VAL HA H 9 4.430 4.968 -0.538 1
2 63 . 8 1 1 A 9 9 VAL C C 9 176.300 174.741 1.559 1
2 64 . 8 1 1 A 9 9 VAL CA C 9 61.700 59.356 2.344 1
2 65 . 8 1 1 A 9 9 VAL CB C 9 33.000 34.743 -1.743 1
2 66 . 8 1 1 A 9 9 VAL N N 9 126.800 121.363 5.437 1
2 67 . 8 1 1 A 10 10 VAL H H 10 8.900 8.988 -0.088 1
2 68 . 8 1 1 A 10 10 VAL HA H 10 4.980 5.201 -0.221 1
2 70 . 8 1 1 A 10 10 VAL C C 10 173.400 173.790 -0.390 1
2 71 . 8 1 1 A 10 10 VAL CA C 10 58.300 59.312 -1.012 1
2 72 . 8 1 1 A 10 10 VAL CB C 10 35.100 35.471 -0.371 1
2 73 . 8 1 1 A 10 10 VAL N N 10 119.700 120.742 -1.042 1
2 74 . 8 1 1 A 11 11 VAL H H 11 8.550 9.052 -0.502 1
2 75 . 8 1 1 A 11 11 VAL HA H 11 5.000 4.943 0.057 1
2 77 . 8 1 1 A 11 11 VAL C C 11 176.700 174.423 2.277 1
2 78 . 8 1 1 A 11 11 VAL CA C 11 59.600 59.573 0.027 1
2 79 . 8 1 1 A 11 11 VAL CB C 11 35.100 34.323 0.777 1
2 80 . 8 1 1 A 11 11 VAL N N 11 118.700 124.527 -5.827 1
2 81 . 8 1 1 A 12 12 ALA H H 12 8.770 9.119 -0.349 1
2 82 . 8 1 1 A 12 12 ALA HA H 12 4.580 5.082 -0.502 1
2 86 . 8 1 1 A 12 12 ALA C C 12 178.600 178.614 -0.014 1
2 87 . 8 1 1 A 12 12 ALA CA C 12 52.800 51.077 1.723 1
2 88 . 8 1 1 A 12 12 ALA CB C 12 19.900 20.211 -0.311 1
2 89 . 8 1 1 A 12 12 ALA N N 12 128.500 129.313 -0.813 1
2 90 . 8 1 1 A 13 13 LYS H H 13 9.370 8.881 0.489 1
2 91 . 8 1 1 A 13 13 LYS HA H 13 3.850 4.324 -0.474 1
2 94 . 8 1 1 A 13 13 LYS C C 13 174.700 175.774 -1.074 1
2 95 . 8 1 1 A 13 13 LYS CA C 13 57.300 56.220 1.080 1
2 96 . 8 1 1 A 13 13 LYS CB C 13 33.800 33.312 0.488 1
2 97 . 8 1 1 A 13 13 LYS N N 13 126.700 119.047 7.653 1
2 98 . 8 1 1 A 14 14 PHE H H 14 7.140 7.630 -0.490 1
2 99 . 8 1 1 A 14 14 PHE HA H 14 4.800 5.126 -0.326 1
2 102 . 8 1 1 A 14 14 PHE C C 14 173.600 174.668 -1.068 1
2 103 . 8 1 1 A 14 14 PHE CA C 14 53.700 56.772 -3.072 1
2 104 . 8 1 1 A 14 14 PHE CB C 14 43.700 43.811 -0.111 1
2 105 . 8 1 1 A 14 14 PHE N N 14 111.600 118.136 -6.536 1
2 106 . 8 1 1 A 15 15 ASP H H 15 8.360 9.062 -0.702 1
2 107 . 8 1 1 A 15 15 ASP HA H 15 4.790 5.692 -0.902 1
2 110 . 8 1 1 A 15 15 ASP C C 15 176.400 174.535 1.865 1
2 111 . 8 1 1 A 15 15 ASP CA C 15 54.700 53.017 1.683 1
2 112 . 8 1 1 A 15 15 ASP CB C 15 41.600 42.929 -1.329 1
2 113 . 8 1 1 A 15 15 ASP N N 15 117.400 119.204 -1.804 1
2 114 . 8 1 1 A 16 16 TYR H H 16 8.860 8.891 -0.031 1
2 115 . 8 1 1 A 16 16 TYR HA H 16 4.750 5.190 -0.440 1
2 118 . 8 1 1 A 16 16 TYR C C 16 173.700 173.557 0.143 1
2 119 . 8 1 1 A 16 16 TYR CA C 16 59.500 56.850 2.650 1
2 120 . 8 1 1 A 16 16 TYR CB C 16 41.500 42.308 -0.808 1
2 121 . 8 1 1 A 16 16 TYR N N 16 121.000 123.512 -2.512 1
2 122 . 8 1 1 A 17 17 VAL H H 17 7.180 8.303 -1.123 1
2 123 . 8 1 1 A 17 17 VAL HA H 17 4.150 4.204 -0.054 1
2 125 . 8 1 1 A 17 17 VAL C C 17 174.500 175.270 -0.770 1
2 126 . 8 1 1 A 17 17 VAL CA C 17 60.600 60.873 -0.273 1
2 127 . 8 1 1 A 17 17 VAL CB C 17 32.300 32.809 -0.509 1
2 128 . 8 1 1 A 17 17 VAL N N 17 129.100 123.762 5.338 1
2 129 . 8 1 1 A 18 18 ALA H H 18 8.640 8.176 0.464 1
2 130 . 8 1 1 A 18 18 ALA HA H 18 4.230 4.723 -0.493 1
2 134 . 8 1 1 A 18 18 ALA C C 18 179.100 177.545 1.555 1
2 135 . 8 1 1 A 18 18 ALA CA C 18 53.300 51.770 1.530 1
2 136 . 8 1 1 A 18 18 ALA CB C 18 19.900 18.624 1.276 1
2 137 . 8 1 1 A 18 18 ALA N N 18 128.900 131.357 -2.457 1
2 138 . 8 1 1 A 19 19 GLN H H 19 9.080 8.159 0.921 1
2 139 . 8 1 1 A 19 19 GLN HA H 19 4.320 3.912 0.408 1
2 144 . 8 1 1 A 19 19 GLN C C 19 175.500 177.034 -1.534 1
2 145 . 8 1 1 A 19 19 GLN CA C 19 55.100 59.762 -4.662 1
2 146 . 8 1 1 A 19 19 GLN CB C 19 31.200 28.949 2.251 1
2 148 . 8 1 1 A 19 19 GLN N N 19 120.400 125.138 -4.738 1
2 150 . 8 1 1 A 20 20 GLN H H 20 7.220 7.984 -0.764 1
2 151 . 8 1 1 A 20 20 GLN HA H 20 4.590 4.242 0.348 1
2 156 . 8 1 1 A 20 20 GLN C C 20 176.800 177.101 -0.301 1
2 157 . 8 1 1 A 20 20 GLN CA C 20 53.900 55.996 -2.096 1
2 158 . 8 1 1 A 20 20 GLN CB C 20 32.400 30.049 2.351 1
2 159 . 8 1 1 A 20 20 GLN N N 20 114.500 117.484 -2.984 1
2 161 . 8 1 1 A 21 21 GLU H H 21 8.980 8.882 0.098 1
2 162 . 8 1 1 A 21 21 GLU HA H 21 4.090 4.055 0.035 1
2 164 . 8 1 1 A 21 21 GLU C C 21 176.900 178.375 -1.475 1
2 165 . 8 1 1 A 21 21 GLU CA C 21 59.500 58.596 0.904 1
2 166 . 8 1 1 A 21 21 GLU CB C 21 29.700 29.204 0.496 1
2 167 . 8 1 1 A 21 21 GLU N N 21 121.600 124.346 -2.746 1
2 168 . 8 1 1 A 22 22 GLN H H 22 8.470 7.841 0.629 1
2 169 . 8 1 1 A 22 22 GLN HA H 22 4.540 4.116 0.424 1
2 174 . 8 1 1 A 22 22 GLN C C 22 176.700 176.469 0.231 1
2 175 . 8 1 1 A 22 22 GLN CA C 22 56.700 58.360 -1.660 1
2 176 . 8 1 1 A 22 22 GLN CB C 22 28.000 28.543 -0.543 1
2 178 . 8 1 1 A 22 22 GLN N N 22 113.600 119.532 -5.932 1
2 180 . 8 1 1 A 23 23 GLU H H 23 7.730 7.883 -0.153 1
2 181 . 8 1 1 A 23 23 GLU HA H 23 5.340 4.572 0.768 1
2 184 . 8 1 1 A 23 23 GLU C C 23 174.700 175.656 -0.956 1
2 185 . 8 1 1 A 23 23 GLU CA C 23 55.600 56.591 -0.991 1
2 186 . 8 1 1 A 23 23 GLU CB C 23 32.400 30.975 1.425 1
2 187 . 8 1 1 A 23 23 GLU N N 23 120.200 119.270 0.930 1
2 188 . 8 1 1 A 24 24 LEU H H 24 7.900 8.671 -0.771 1
2 189 . 8 1 1 A 24 24 LEU HA H 24 4.680 5.333 -0.653 1
2 192 . 8 1 1 A 24 24 LEU C C 24 174.300 176.238 -1.938 1
2 193 . 8 1 1 A 24 24 LEU CA C 24 53.200 53.446 -0.246 1
2 194 . 8 1 1 A 24 24 LEU CB C 24 46.500 45.223 1.277 1
2 195 . 8 1 1 A 24 24 LEU N N 24 122.400 123.233 -0.833 1
2 196 . 8 1 1 A 25 25 ASP H H 25 7.640 8.881 -1.241 1
2 197 . 8 1 1 A 25 25 ASP HA H 25 5.160 5.086 0.074 1
2 200 . 8 1 1 A 25 25 ASP C C 25 176.800 176.431 0.369 1
2 201 . 8 1 1 A 25 25 ASP CA C 25 54.200 53.861 0.339 1
2 202 . 8 1 1 A 25 25 ASP CB C 25 42.300 41.475 0.825 1
2 203 . 8 1 1 A 25 25 ASP N N 25 121.400 122.384 -0.984 1
2 204 . 8 1 1 A 26 26 ILE H H 26 8.930 8.721 0.209 1
2 205 . 8 1 1 A 26 26 ILE HA H 26 5.120 5.356 -0.236 1
2 207 . 8 1 1 A 26 26 ILE C C 26 175.200 174.147 1.053 1
2 208 . 8 1 1 A 26 26 ILE CA C 26 59.700 58.895 0.805 1
2 209 . 8 1 1 A 26 26 ILE CB C 26 42.400 41.945 0.455 1
2 210 . 8 1 1 A 26 26 ILE N N 26 115.600 119.232 -3.632 1
2 211 . 8 1 1 A 27 27 LYS H H 27 8.930 8.739 0.191 1
2 212 . 8 1 1 A 27 27 LYS HA H 27 5.090 4.826 0.264 1
2 215 . 8 1 1 A 27 27 LYS C C 27 175.300 174.671 0.629 1
2 216 . 8 1 1 A 27 27 LYS CA C 27 52.900 55.117 -2.217 1
2 217 . 8 1 1 A 27 27 LYS CB C 27 35.400 36.749 -1.349 1
2 218 . 8 1 1 A 27 27 LYS N N 27 123.000 121.771 1.229 1
2 219 . 8 1 1 A 28 28 LYS H H 28 8.990 8.609 0.381 1
2 220 . 8 1 1 A 28 28 LYS HA H 28 3.110 3.983 -0.873 1
2 222 . 8 1 1 A 28 28 LYS C C 28 177.000 177.281 -0.281 1
2 223 . 8 1 1 A 28 28 LYS CA C 28 59.200 58.329 0.871 1
2 224 . 8 1 1 A 28 28 LYS CB C 28 32.600 32.167 0.433 1
2 225 . 8 1 1 A 28 28 LYS N N 28 121.200 126.521 -5.321 1
2 226 . 8 1 1 A 29 29 ASN H H 29 8.700 8.750 -0.050 1
2 227 . 8 1 1 A 29 29 ASN HA H 29 4.180 4.306 -0.126 1
2 232 . 8 1 1 A 29 29 ASN C C 29 174.200 174.225 -0.025 1
2 233 . 8 1 1 A 29 29 ASN CA C 29 55.900 54.504 1.396 1
2 234 . 8 1 1 A 29 29 ASN CB C 29 37.400 37.066 0.334 1
2 235 . 8 1 1 A 29 29 ASN N N 29 118.300 119.755 -1.455 1
2 237 . 8 1 1 A 30 30 GLU H H 30 8.660 7.492 1.168 1
2 238 . 8 1 1 A 30 30 GLU HA H 30 4.160 4.815 -0.655 1
2 241 . 8 1 1 A 30 30 GLU C C 30 175.200 175.015 0.185 1
2 242 . 8 1 1 A 30 30 GLU CA C 30 57.700 55.178 2.522 1
2 243 . 8 1 1 A 30 30 GLU CB C 30 31.800 32.111 -0.311 1
2 244 . 8 1 1 A 30 30 GLU N N 30 124.200 117.599 6.601 1
2 245 . 8 1 1 A 31 31 ARG H H 31 8.490 8.574 -0.084 1
2 246 . 8 1 1 A 31 31 ARG HA H 31 4.580 4.664 -0.084 1
2 250 . 8 1 1 A 31 31 ARG C C 31 175.000 174.938 0.062 1
2 251 . 8 1 1 A 31 31 ARG CA C 31 56.200 55.713 0.487 1
2 252 . 8 1 1 A 31 31 ARG CB C 31 30.800 31.055 -0.255 1
2 253 . 8 1 1 A 31 31 ARG N N 31 125.000 126.401 -1.401 1
2 255 . 8 1 1 A 32 32 LEU H H 32 8.860 9.393 -0.533 1
2 256 . 8 1 1 A 32 32 LEU HA H 32 4.840 4.881 -0.041 1
2 259 . 8 1 1 A 32 32 LEU C C 32 174.400 175.451 -1.051 1
2 260 . 8 1 1 A 32 32 LEU CA C 32 53.300 53.132 0.168 1
2 261 . 8 1 1 A 32 32 LEU CB C 32 46.300 44.953 1.347 1
2 262 . 8 1 1 A 32 32 LEU N N 32 125.600 125.232 0.368 1
2 263 . 8 1 1 A 33 33 TRP H H 33 9.160 8.804 0.356 1
2 264 . 8 1 1 A 33 33 TRP HA H 33 5.100 5.162 -0.062 1
2 268 . 8 1 1 A 33 33 TRP C C 33 176.000 175.718 0.282 1
2 269 . 8 1 1 A 33 33 TRP CA C 33 58.300 56.621 1.679 1
2 270 . 8 1 1 A 33 33 TRP CB C 33 31.000 30.407 0.593 1
2 271 . 8 1 1 A 33 33 TRP N N 33 121.000 123.659 -2.659 1
2 273 . 8 1 1 A 34 34 LEU H H 34 9.130 8.466 0.664 1
2 274 . 8 1 1 A 34 34 LEU HA H 34 4.330 4.357 -0.027 1
2 277 . 8 1 1 A 34 34 LEU C C 34 175.400 176.025 -0.625 1
2 278 . 8 1 1 A 34 34 LEU CA C 34 55.600 55.694 -0.094 1
2 279 . 8 1 1 A 34 34 LEU CB C 34 43.700 42.260 1.440 1
2 280 . 8 1 1 A 34 34 LEU N N 34 125.100 127.155 -2.055 1
2 281 . 8 1 1 A 35 35 LEU H H 35 9.020 9.019 0.001 1
2 282 . 8 1 1 A 35 35 LEU HA H 35 4.620 4.379 0.241 1
2 285 . 8 1 1 A 35 35 LEU C C 35 177.400 176.732 0.668 1
2 286 . 8 1 1 A 35 35 LEU CA C 35 55.400 55.978 -0.578 1
2 287 . 8 1 1 A 35 35 LEU CB C 35 42.600 42.764 -0.164 1
2 288 . 8 1 1 A 35 35 LEU N N 35 126.300 127.941 -1.641 1
2 289 . 8 1 1 A 36 36 ASP H H 36 7.460 7.788 -0.328 1
2 290 . 8 1 1 A 36 36 ASP HA H 36 4.760 4.984 -0.224 1
2 293 . 8 1 1 A 36 36 ASP C C 36 175.000 174.914 0.086 1
2 294 . 8 1 1 A 36 36 ASP CA C 36 55.200 53.669 1.531 1
2 295 . 8 1 1 A 36 36 ASP CB C 36 43.400 42.719 0.681 1
2 296 . 8 1 1 A 36 36 ASP N N 36 115.400 117.665 -2.265 1
2 297 . 8 1 1 A 37 37 ASP H H 37 8.330 8.409 -0.079 1
2 298 . 8 1 1 A 37 37 ASP HA H 37 3.940 4.728 -0.788 1
2 301 . 8 1 1 A 37 37 ASP C C 37 176.400 176.777 -0.377 1
2 302 . 8 1 1 A 37 37 ASP CA C 37 52.200 52.409 -0.209 1
2 303 . 8 1 1 A 37 37 ASP CB C 37 39.900 39.493 0.407 1
2 304 . 8 1 1 A 37 37 ASP N N 37 128.400 123.962 4.438 1
2 305 . 8 1 1 A 38 38 SER H H 38 8.470 8.171 0.299 1
2 306 . 8 1 1 A 38 38 SER HA H 38 4.210 4.585 -0.375 1
2 309 . 8 1 1 A 38 38 SER C C 38 175.300 174.716 0.584 1
2 310 . 8 1 1 A 38 38 SER CA C 38 61.600 60.941 0.659 1
2 311 . 8 1 1 A 38 38 SER CB C 38 64.100 64.300 -0.200 1
2 312 . 8 1 1 A 38 38 SER N N 38 115.700 114.391 1.309 1
2 313 . 8 1 1 A 39 39 LYS H H 39 8.440 7.659 0.781 1
2 314 . 8 1 1 A 39 39 LYS HA H 39 4.910 4.475 0.435 1
2 317 . 8 1 1 A 39 39 LYS C C 39 175.900 178.014 -2.114 1
2 318 . 8 1 1 A 39 39 LYS CA C 39 55.000 56.011 -1.011 1
2 319 . 8 1 1 A 39 39 LYS CB C 39 34.300 33.412 0.888 1
2 320 . 8 1 1 A 39 39 LYS N N 39 122.300 119.977 2.323 1
2 321 . 8 1 1 A 40 40 SER H H 40 8.360 8.761 -0.401 1
2 322 . 8 1 1 A 40 40 SER HA H 40 4.310 4.170 0.140 1
2 325 . 8 1 1 A 40 40 SER C C 40 175.200 175.275 -0.075 1
2 326 . 8 1 1 A 40 40 SER CA C 40 60.900 62.530 -1.630 1
2 327 . 8 1 1 A 40 40 SER CB C 40 63.100 63.041 0.059 1
2 328 . 8 1 1 A 40 40 SER N N 40 112.600 115.875 -3.275 1
2 329 . 8 1 1 A 41 41 TRP H H 41 7.440 8.214 -0.774 1
2 330 . 8 1 1 A 41 41 TRP HA H 41 4.840 5.068 -0.228 1
2 334 . 8 1 1 A 41 41 TRP C C 41 175.500 176.472 -0.972 1
2 335 . 8 1 1 A 41 41 TRP CA C 41 56.800 56.335 0.465 1
2 336 . 8 1 1 A 41 41 TRP CB C 41 29.600 30.194 -0.594 1
2 337 . 8 1 1 A 41 41 TRP N N 41 121.300 118.755 2.545 1
2 339 . 8 1 1 A 42 42 TRP H H 42 9.350 9.395 -0.045 1
2 340 . 8 1 1 A 42 42 TRP HA H 42 5.440 5.139 0.301 1
2 344 . 8 1 1 A 42 42 TRP C C 42 175.000 175.970 -0.970 1
2 345 . 8 1 1 A 42 42 TRP CA C 42 54.300 57.456 -3.156 1
2 346 . 8 1 1 A 42 42 TRP CB C 42 30.800 29.336 1.464 1
2 347 . 8 1 1 A 42 42 TRP N N 42 125.400 125.184 0.216 1
2 349 . 8 1 1 A 43 43 ARG H H 43 8.810 9.301 -0.491 1
2 350 . 8 1 1 A 43 43 ARG HA H 43 4.530 4.409 0.121 1
2 354 . 8 1 1 A 43 43 ARG C C 43 175.600 176.093 -0.493 1
2 355 . 8 1 1 A 43 43 ARG CA C 43 55.400 55.983 -0.583 1
2 356 . 8 1 1 A 43 43 ARG CB C 43 32.200 30.206 1.994 1
2 357 . 8 1 1 A 43 43 ARG N N 43 124.200 126.230 -2.030 1
2 359 . 8 1 1 A 44 44 VAL H H 44 9.210 8.681 0.529 1
2 360 . 8 1 1 A 44 44 VAL HA H 44 5.510 5.189 0.321 1
2 362 . 8 1 1 A 44 44 VAL C C 44 172.800 173.552 -0.752 1
2 363 . 8 1 1 A 44 44 VAL CA C 44 58.800 58.688 0.112 1
2 364 . 8 1 1 A 44 44 VAL CB C 44 36.600 36.230 0.370 1
2 365 . 8 1 1 A 44 44 VAL N N 44 121.400 119.229 2.171 1
2 366 . 8 1 1 A 45 45 ARG H H 45 9.260 9.107 0.153 1
2 367 . 8 1 1 A 45 45 ARG HA H 45 5.510 5.310 0.200 1
2 371 . 8 1 1 A 45 45 ARG C C 45 175.700 173.797 1.903 1
2 372 . 8 1 1 A 45 45 ARG CA C 45 53.700 53.879 -0.179 1
2 373 . 8 1 1 A 45 45 ARG CB C 45 35.400 33.906 1.494 1
2 374 . 8 1 1 A 45 45 ARG N N 45 120.000 121.780 -1.780 1
2 376 . 8 1 1 A 46 46 ASN H H 46 8.820 9.195 -0.375 1
2 377 . 8 1 1 A 46 46 ASN HA H 46 5.470 5.368 0.102 1
2 382 . 8 1 1 A 46 46 ASN C C 46 178.500 176.940 1.560 1
2 383 . 8 1 1 A 46 46 ASN CA C 46 50.600 51.463 -0.863 1
2 384 . 8 1 1 A 46 46 ASN CB C 46 41.000 41.538 -0.538 1
2 385 . 8 1 1 A 46 46 ASN N N 46 123.300 124.075 -0.775 1
2 387 . 8 1 1 A 47 47 SER H H 47 9.730 9.052 0.678 1
2 388 . 8 1 1 A 47 47 SER HA H 47 4.320 4.456 -0.136 1
2 391 . 8 1 1 A 47 47 SER C C 47 175.200 175.515 -0.315 1
2 392 . 8 1 1 A 47 47 SER CA C 47 61.500 61.589 -0.089 1
2 393 . 8 1 1 A 47 47 SER CB C 47 63.100 62.944 0.156 1
2 394 . 8 1 1 A 47 47 SER N N 47 115.000 119.156 -4.156 1
2 395 . 8 1 1 A 48 48 MET H H 48 7.650 8.013 -0.363 1
2 396 . 8 1 1 A 48 48 MET HA H 48 4.730 4.590 0.140 1
2 399 . 8 1 1 A 48 48 MET C C 48 175.800 176.181 -0.381 1
2 400 . 8 1 1 A 48 48 MET CA C 48 54.500 55.776 -1.276 1
2 401 . 8 1 1 A 48 48 MET CB C 48 31.600 33.284 -1.684 1
2 402 . 8 1 1 A 48 48 MET N N 48 120.300 119.258 1.042 1
2 403 . 8 1 1 A 49 49 ASN H H 49 8.430 8.229 0.201 1
2 404 . 8 1 1 A 49 49 ASN HA H 49 4.210 4.466 -0.256 1
2 409 . 8 1 1 A 49 49 ASN C C 49 174.200 174.243 -0.043 1
2 410 . 8 1 1 A 49 49 ASN CA C 49 54.900 54.350 0.550 1
2 411 . 8 1 1 A 49 49 ASN CB C 49 37.100 36.535 0.565 1
2 412 . 8 1 1 A 49 49 ASN N N 49 113.400 117.007 -3.607 1
2 414 . 8 1 1 A 50 50 LYS H H 50 8.090 7.833 0.257 1
2 415 . 8 1 1 A 50 50 LYS HA H 50 4.560 4.349 0.211 1
2 418 . 8 1 1 A 50 50 LYS C C 50 175.500 175.481 0.019 1
2 419 . 8 1 1 A 50 50 LYS CA C 50 55.600 56.609 -1.009 1
2 420 . 8 1 1 A 50 50 LYS CB C 50 33.300 33.684 -0.384 1
2 421 . 8 1 1 A 50 50 LYS N N 50 121.000 120.753 0.247 1
2 422 . 8 1 1 A 51 51 THR H H 51 8.310 8.697 -0.387 1
2 423 . 8 1 1 A 51 51 THR HA H 51 5.730 5.279 0.451 1
2 425 . 8 1 1 A 51 51 THR C C 51 174.600 174.166 0.434 1
2 426 . 8 1 1 A 51 51 THR CA C 51 59.300 60.279 -0.979 1
2 427 . 8 1 1 A 51 51 THR CB C 51 71.900 72.272 -0.372 1
2 428 . 8 1 1 A 51 51 THR N N 51 113.800 116.246 -2.446 1
2 429 . 8 1 1 A 52 52 GLY H H 52 8.630 8.086 0.544 1
2 430 . 8 1 1 A 52 52 GLY HA2 H 52 4.090 4.234 -0.144 1
2 431 . 8 1 1 A 52 52 GLY HA3 H 52 3.920 4.278 -0.358 1
2 432 . 8 1 1 A 52 52 GLY C C 52 170.500 171.696 -1.196 1
2 433 . 8 1 1 A 52 52 GLY CA C 52 45.600 45.458 0.142 1
2 434 . 8 1 1 A 52 52 GLY N N 52 107.900 111.401 -3.501 1
2 435 . 8 1 1 A 53 53 PHE H H 53 9.030 8.835 0.195 1
2 436 . 8 1 1 A 53 53 PHE HA H 53 5.850 5.060 0.790 1
2 439 . 8 1 1 A 53 53 PHE C C 53 176.400 175.869 0.531 1
2 440 . 8 1 1 A 53 53 PHE CA C 53 58.000 58.230 -0.230 1
2 441 . 8 1 1 A 53 53 PHE CB C 53 42.800 40.613 2.187 1
2 442 . 8 1 1 A 53 53 PHE N N 53 118.200 119.563 -1.363 1
2 443 . 8 1 1 A 54 54 VAL H H 54 9.150 9.057 0.093 1
2 444 . 8 1 1 A 54 54 VAL HA H 54 4.790 5.113 -0.323 1
2 445 . 8 1 1 A 54 54 VAL CA C 54 57.600 58.587 -0.987 1
2 446 . 8 1 1 A 54 54 VAL CB C 54 33.300 35.161 -1.861 1
2 447 . 8 1 1 A 54 54 VAL N N 54 112.100 117.240 -5.140 1
2 448 . 8 1 1 A 57 57 ASN HA H 57 4.480 4.662 -0.182 1
2 453 . 8 1 1 A 57 57 ASN C C 57 175.500 176.237 -0.737 1
2 454 . 8 1 1 A 57 57 ASN CA C 57 53.900 54.745 -0.845 1
2 455 . 8 1 1 A 57 57 ASN CB C 57 36.600 38.835 -2.235 1
2 457 . 8 1 1 A 58 58 TYR H H 58 7.950 8.035 -0.085 1
2 458 . 8 1 1 A 58 58 TYR HA H 58 4.460 4.643 -0.183 1
2 461 . 8 1 1 A 58 58 TYR C C 58 175.200 175.855 -0.655 1
2 462 . 8 1 1 A 58 58 TYR CA C 58 59.100 58.917 0.183 1
2 463 . 8 1 1 A 58 58 TYR CB C 58 38.100 40.425 -2.325 1
2 464 . 8 1 1 A 58 58 TYR N N 58 118.400 116.665 1.735 1
2 465 . 8 1 1 A 59 59 VAL H H 59 7.300 7.483 -0.183 1
2 466 . 8 1 1 A 59 59 VAL HA H 59 5.080 5.011 0.069 1
2 468 . 8 1 1 A 59 59 VAL C C 59 173.100 174.467 -1.367 1
2 469 . 8 1 1 A 59 59 VAL CA C 59 58.700 59.755 -1.055 1
2 470 . 8 1 1 A 59 59 VAL CB C 59 35.500 34.541 0.959 1
2 471 . 8 1 1 A 59 59 VAL N N 59 111.800 114.574 -2.774 1
2 472 . 8 1 1 A 60 60 GLU H H 60 8.680 8.389 0.291 1
2 473 . 8 1 1 A 60 60 GLU HA H 60 4.790 4.787 0.003 1
2 476 . 8 1 1 A 60 60 GLU C C 60 175.600 174.631 0.969 1
2 477 . 8 1 1 A 60 60 GLU CA C 60 54.400 55.745 -1.345 1
2 478 . 8 1 1 A 60 60 GLU CB C 60 33.300 33.756 -0.456 1
2 479 . 8 1 1 A 60 60 GLU N N 60 118.900 120.630 -1.730 1
2 480 . 8 1 1 A 61 61 ARG H H 61 9.070 8.688 0.382 1
2 481 . 8 1 1 A 61 61 ARG HA H 61 4.540 4.649 -0.109 1
2 485 . 8 1 1 A 61 61 ARG C C 61 175.900 176.042 -0.142 1
2 486 . 8 1 1 A 61 61 ARG CA C 61 56.500 56.297 0.203 1
2 487 . 8 1 1 A 61 61 ARG CB C 61 31.200 30.474 0.726 1
2 488 . 8 1 1 A 61 61 ARG N N 61 125.400 123.388 2.012 1
2 490 . 8 1 1 A 62 62 LYS H H 62 8.540 8.404 0.136 1
2 491 . 8 1 1 A 62 62 LYS HA H 62 4.370 4.116 0.254 1
2 494 . 8 1 1 A 62 62 LYS C C 62 176.000 176.119 -0.119 1
2 495 . 8 1 1 A 62 62 LYS CA C 62 55.900 56.787 -0.887 1
2 496 . 8 1 1 A 62 62 LYS CB C 62 33.200 33.558 -0.358 1
2 497 . 8 1 1 A 62 62 LYS N N 62 124.400 123.661 0.739 1
2 498 . 8 1 1 A 63 63 ASN H H 63 8.650 8.834 -0.184 1
2 499 . 8 1 1 A 63 63 ASN HA H 63 4.740 5.004 -0.264 1
2 504 . 8 1 1 A 63 63 ASN C C 63 175.300 175.440 -0.140 1
2 505 . 8 1 1 A 63 63 ASN CA C 63 53.300 53.980 -0.680 1
2 506 . 8 1 1 A 63 63 ASN CB C 63 39.000 41.499 -2.499 1
2 507 . 8 1 1 A 63 63 ASN N N 63 121.200 121.202 -0.002 1
2 509 . 8 1 1 A 64 64 SER H H 64 8.370 7.893 0.477 1
2 510 . 8 1 1 A 64 64 SER HA H 64 4.420 4.448 -0.028 1
2 513 . 8 1 1 A 64 64 SER C C 64 174.300 172.934 1.366 1
2 514 . 8 1 1 A 64 64 SER CA C 64 58.400 57.385 1.015 1
2 515 . 8 1 1 A 64 64 SER CB C 64 63.900 62.682 1.218 1
2 516 . 8 1 1 A 64 64 SER N N 64 116.900 115.184 1.716 1
2 517 . 8 1 1 A 65 65 ALA H H 65 8.370 8.294 0.076 1
2 518 . 8 1 1 A 65 65 ALA HA H 65 4.330 4.697 -0.367 1
2 522 . 8 1 1 A 65 65 ALA C C 65 177.800 176.868 0.932 1
2 523 . 8 1 1 A 65 65 ALA CA C 65 52.700 51.067 1.633 1
2 524 . 8 1 1 A 65 65 ALA CB C 65 19.300 19.647 -0.347 1
2 525 . 8 1 1 A 65 65 ALA N N 65 126.000 130.916 -4.916 1
2 526 . 8 1 1 A 66 66 ARG H H 66 8.230 8.816 -0.586 1
2 527 . 8 1 1 A 66 66 ARG HA H 66 4.300 4.443 -0.143 1
2 531 . 8 1 1 A 66 66 ARG C C 66 176.100 177.633 -1.533 1
2 532 . 8 1 1 A 66 66 ARG CA C 66 56.000 55.479 0.521 1
2 533 . 8 1 1 A 66 66 ARG CB C 66 30.800 31.072 -0.272 1
2 534 . 8 1 1 A 66 66 ARG N N 66 120.400 124.280 -3.880 1
2 536 . 8 1 1 A 67 67 ALA H H 67 8.290 8.751 -0.461 1
2 537 . 8 1 1 A 67 67 ALA HA H 67 4.290 4.086 0.204 1
2 541 . 8 1 1 A 67 67 ALA C C 67 177.600 178.241 -0.641 1
2 542 . 8 1 1 A 67 67 ALA CA C 67 52.500 54.805 -2.305 1
2 543 . 8 1 1 A 67 67 ALA CB C 67 19.200 18.968 0.232 1
2 544 . 8 1 1 A 67 67 ALA N N 67 125.700 123.832 1.868 1
2 545 . 8 1 1 A 68 68 ALA H H 68 8.270 7.957 0.313 1
2 546 . 8 1 1 A 68 68 ALA HA H 68 4.290 4.451 -0.161 1
2 550 . 8 1 1 A 68 68 ALA C C 68 178.600 177.798 0.802 1
2 551 . 8 1 1 A 68 68 ALA CA C 68 52.400 51.778 0.622 1
2 552 . 8 1 1 A 68 68 ALA CB C 68 19.200 18.876 0.324 1
2 553 . 8 1 1 A 68 68 ALA N N 68 123.100 119.551 3.549 1
2 554 . 8 1 1 A 69 69 ALA H H 69 8.260 8.088 0.172 1
2 555 . 8 1 1 A 69 69 ALA HA H 69 4.300 4.459 -0.159 1
2 559 . 8 1 1 A 69 69 ALA C C 69 177.600 176.640 0.960 1
2 560 . 8 1 1 A 69 69 ALA CA C 69 52.500 51.543 0.957 1
2 561 . 8 1 1 A 69 69 ALA CB C 69 19.200 18.890 0.310 1
2 562 . 8 1 1 A 69 69 ALA N N 69 123.500 121.939 1.561 1
2 563 . 8 1 1 A 70 70 ASN H H 70 8.390 7.618 0.772 1
2 564 . 8 1 1 A 70 70 ASN HA H 70 4.750 4.983 -0.233 1
2 567 . 8 1 1 A 70 70 ASN C C 70 175.200 174.391 0.809 1
2 568 . 8 1 1 A 70 70 ASN CA C 70 53.300 51.609 1.691 1
2 569 . 8 1 1 A 70 70 ASN CB C 70 39.000 40.548 -1.548 1
2 570 . 8 1 1 A 70 70 ASN N N 70 117.500 116.478 1.022 1
2 571 . 8 1 1 A 71 71 SER H H 71 8.240 8.640 -0.400 1
2 572 . 8 1 1 A 71 71 SER HA H 71 4.520 4.771 -0.251 1
2 575 . 8 1 1 A 71 71 SER C C 71 173.700 173.089 0.611 1
2 576 . 8 1 1 A 71 71 SER CA C 71 58.400 56.931 1.469 1
2 577 . 8 1 1 A 71 71 SER CB C 71 64.200 63.584 0.616 1
2 578 . 8 1 1 A 71 71 SER N N 71 116.200 116.467 -0.267 1
2 5 . 9 1 1 A 2 2 SER H H 2 8.720 8.493 0.227 1
2 6 . 9 1 1 A 2 2 SER HA H 2 4.600 4.688 -0.088 1
2 9 . 9 1 1 A 2 2 SER C C 2 174.800 173.899 0.901 1
2 10 . 9 1 1 A 2 2 SER CA C 2 58.300 59.281 -0.981 1
2 11 . 9 1 1 A 2 2 SER CB C 2 64.000 66.073 -2.073 1
2 12 . 9 1 1 A 2 2 SER N N 2 115.900 117.486 -1.586 1
2 13 . 9 1 1 A 3 3 THR H H 3 8.340 7.829 0.511 1
2 14 . 9 1 1 A 3 3 THR HA H 3 4.390 4.226 0.164 1
2 16 . 9 1 1 A 3 3 THR C C 3 174.600 175.221 -0.621 1
2 17 . 9 1 1 A 3 3 THR CA C 3 62.000 64.626 -2.626 1
2 18 . 9 1 1 A 3 3 THR CB C 3 69.800 68.640 1.160 1
2 19 . 9 1 1 A 3 3 THR N N 3 116.100 115.167 0.933 1
2 20 . 9 1 1 A 4 4 MET H H 4 8.430 8.674 -0.244 1
2 21 . 9 1 1 A 4 4 MET HA H 4 4.460 4.380 0.080 1
2 24 . 9 1 1 A 4 4 MET C C 4 175.800 175.875 -0.075 1
2 25 . 9 1 1 A 4 4 MET CA C 4 55.600 56.843 -1.243 1
2 26 . 9 1 1 A 4 4 MET CB C 4 33.000 31.636 1.364 1
2 27 . 9 1 1 A 4 4 MET N N 4 122.900 121.402 1.498 1
2 28 . 9 1 1 A 5 5 ALA H H 5 8.330 8.762 -0.432 1
2 29 . 9 1 1 A 5 5 ALA HA H 5 4.310 4.371 -0.061 1
2 33 . 9 1 1 A 5 5 ALA C C 5 177.500 176.513 0.987 1
2 34 . 9 1 1 A 5 5 ALA CA C 5 52.600 52.040 0.560 1
2 35 . 9 1 1 A 5 5 ALA CB C 5 19.200 19.974 -0.774 1
2 36 . 9 1 1 A 5 5 ALA N N 5 125.600 125.661 -0.061 1
2 37 . 9 1 1 A 6 6 GLU H H 6 8.220 8.621 -0.401 1
2 38 . 9 1 1 A 6 6 GLU HA H 6 4.310 5.056 -0.746 1
2 41 . 9 1 1 A 6 6 GLU C C 6 176.200 174.968 1.232 1
2 42 . 9 1 1 A 6 6 GLU CA C 6 56.100 55.309 0.791 1
2 43 . 9 1 1 A 6 6 GLU CB C 6 30.600 32.938 -2.338 1
2 44 . 9 1 1 A 6 6 GLU N N 6 119.900 119.970 -0.070 1
2 45 . 9 1 1 A 7 7 GLU H H 7 8.450 8.958 -0.508 1
2 46 . 9 1 1 A 7 7 GLU HA H 7 4.440 5.057 -0.617 1
2 49 . 9 1 1 A 7 7 GLU C C 7 176.000 175.282 0.718 1
2 50 . 9 1 1 A 7 7 GLU CA C 7 56.500 54.886 1.614 1
2 51 . 9 1 1 A 7 7 GLU CB C 7 30.700 33.737 -3.037 1
2 52 . 9 1 1 A 7 7 GLU N N 7 122.400 125.703 -3.303 1
2 53 . 9 1 1 A 8 8 VAL H H 8 8.490 8.620 -0.130 1
2 54 . 9 1 1 A 8 8 VAL HA H 8 4.210 4.798 -0.588 1
2 56 . 9 1 1 A 8 8 VAL C C 8 175.900 175.180 0.720 1
2 57 . 9 1 1 A 8 8 VAL CA C 8 62.200 60.851 1.349 1
2 58 . 9 1 1 A 8 8 VAL CB C 8 33.300 35.420 -2.120 1
2 59 . 9 1 1 A 8 8 VAL N N 8 123.400 122.050 1.350 1
2 60 . 9 1 1 A 9 9 VAL H H 9 8.360 8.892 -0.532 1
2 61 . 9 1 1 A 9 9 VAL HA H 9 4.430 4.952 -0.522 1
2 63 . 9 1 1 A 9 9 VAL C C 9 176.300 174.819 1.481 1
2 64 . 9 1 1 A 9 9 VAL CA C 9 61.700 59.316 2.384 1
2 65 . 9 1 1 A 9 9 VAL CB C 9 33.000 34.479 -1.479 1
2 66 . 9 1 1 A 9 9 VAL N N 9 126.800 121.268 5.532 1
2 67 . 9 1 1 A 10 10 VAL H H 10 8.900 8.708 0.192 1
2 68 . 9 1 1 A 10 10 VAL HA H 10 4.980 5.296 -0.316 1
2 70 . 9 1 1 A 10 10 VAL C C 10 173.400 173.554 -0.154 1
2 71 . 9 1 1 A 10 10 VAL CA C 10 58.300 59.392 -1.092 1
2 72 . 9 1 1 A 10 10 VAL CB C 10 35.100 35.850 -0.750 1
2 73 . 9 1 1 A 10 10 VAL N N 10 119.700 120.674 -0.974 1
2 74 . 9 1 1 A 11 11 VAL H H 11 8.550 9.120 -0.570 1
2 75 . 9 1 1 A 11 11 VAL HA H 11 5.000 5.029 -0.029 1
2 77 . 9 1 1 A 11 11 VAL C C 11 176.700 174.944 1.756 1
2 78 . 9 1 1 A 11 11 VAL CA C 11 59.600 59.688 -0.088 1
2 79 . 9 1 1 A 11 11 VAL CB C 11 35.100 34.088 1.012 1
2 80 . 9 1 1 A 11 11 VAL N N 11 118.700 123.554 -4.854 1
2 81 . 9 1 1 A 12 12 ALA H H 12 8.770 8.688 0.082 1
2 82 . 9 1 1 A 12 12 ALA HA H 12 4.580 4.388 0.192 1
2 86 . 9 1 1 A 12 12 ALA C C 12 178.600 179.021 -0.421 1
2 87 . 9 1 1 A 12 12 ALA CA C 12 52.800 52.611 0.189 1
2 88 . 9 1 1 A 12 12 ALA CB C 12 19.900 18.824 1.076 1
2 89 . 9 1 1 A 12 12 ALA N N 12 128.500 130.554 -2.054 1
2 90 . 9 1 1 A 13 13 LYS H H 13 9.370 8.355 1.015 1
2 91 . 9 1 1 A 13 13 LYS HA H 13 3.850 4.055 -0.205 1
2 94 . 9 1 1 A 13 13 LYS C C 13 174.700 175.382 -0.682 1
2 95 . 9 1 1 A 13 13 LYS CA C 13 57.300 57.213 0.087 1
2 96 . 9 1 1 A 13 13 LYS CB C 13 33.800 32.461 1.339 1
2 97 . 9 1 1 A 13 13 LYS N N 13 126.700 120.236 6.464 1
2 98 . 9 1 1 A 14 14 PHE H H 14 7.140 7.555 -0.415 1
2 99 . 9 1 1 A 14 14 PHE HA H 14 4.800 5.059 -0.259 1
2 102 . 9 1 1 A 14 14 PHE C C 14 173.600 174.289 -0.689 1
2 103 . 9 1 1 A 14 14 PHE CA C 14 53.700 56.525 -2.825 1
2 104 . 9 1 1 A 14 14 PHE CB C 14 43.700 43.746 -0.046 1
2 105 . 9 1 1 A 14 14 PHE N N 14 111.600 117.762 -6.162 1
2 106 . 9 1 1 A 15 15 ASP H H 15 8.360 9.085 -0.725 1
2 107 . 9 1 1 A 15 15 ASP HA H 15 4.790 5.881 -1.091 1
2 110 . 9 1 1 A 15 15 ASP C C 15 176.400 174.165 2.235 1
2 111 . 9 1 1 A 15 15 ASP CA C 15 54.700 52.597 2.103 1
2 112 . 9 1 1 A 15 15 ASP CB C 15 41.600 44.146 -2.546 1
2 113 . 9 1 1 A 15 15 ASP N N 15 117.400 118.676 -1.276 1
2 114 . 9 1 1 A 16 16 TYR H H 16 8.860 8.975 -0.115 1
2 115 . 9 1 1 A 16 16 TYR HA H 16 4.750 5.256 -0.506 1
2 118 . 9 1 1 A 16 16 TYR C C 16 173.700 173.692 0.008 1
2 119 . 9 1 1 A 16 16 TYR CA C 16 59.500 57.567 1.933 1
2 120 . 9 1 1 A 16 16 TYR CB C 16 41.500 42.251 -0.751 1
2 121 . 9 1 1 A 16 16 TYR N N 16 121.000 122.840 -1.840 1
2 122 . 9 1 1 A 17 17 VAL H H 17 7.180 8.372 -1.192 1
2 123 . 9 1 1 A 17 17 VAL HA H 17 4.150 4.288 -0.138 1
2 125 . 9 1 1 A 17 17 VAL C C 17 174.500 175.249 -0.749 1
2 126 . 9 1 1 A 17 17 VAL CA C 17 60.600 60.838 -0.238 1
2 127 . 9 1 1 A 17 17 VAL CB C 17 32.300 32.722 -0.422 1
2 128 . 9 1 1 A 17 17 VAL N N 17 129.100 123.813 5.287 1
2 129 . 9 1 1 A 18 18 ALA H H 18 8.640 8.160 0.480 1
2 130 . 9 1 1 A 18 18 ALA HA H 18 4.230 4.320 -0.090 1
2 134 . 9 1 1 A 18 18 ALA C C 18 179.100 177.792 1.308 1
2 135 . 9 1 1 A 18 18 ALA CA C 18 53.300 52.233 1.067 1
2 136 . 9 1 1 A 18 18 ALA CB C 18 19.900 19.091 0.809 1
2 137 . 9 1 1 A 18 18 ALA N N 18 128.900 131.525 -2.625 1
2 138 . 9 1 1 A 19 19 GLN H H 19 9.080 8.569 0.511 1
2 139 . 9 1 1 A 19 19 GLN HA H 19 4.320 3.953 0.367 1
2 144 . 9 1 1 A 19 19 GLN C C 19 175.500 176.912 -1.412 1
2 145 . 9 1 1 A 19 19 GLN CA C 19 55.100 59.937 -4.837 1
2 146 . 9 1 1 A 19 19 GLN CB C 19 31.200 28.944 2.256 1
2 148 . 9 1 1 A 19 19 GLN N N 19 120.400 125.098 -4.698 1
2 150 . 9 1 1 A 20 20 GLN H H 20 7.220 8.203 -0.983 1
2 151 . 9 1 1 A 20 20 GLN HA H 20 4.590 4.408 0.182 1
2 156 . 9 1 1 A 20 20 GLN C C 20 176.800 177.111 -0.311 1
2 157 . 9 1 1 A 20 20 GLN CA C 20 53.900 55.071 -1.171 1
2 158 . 9 1 1 A 20 20 GLN CB C 20 32.400 29.409 2.991 1
2 159 . 9 1 1 A 20 20 GLN N N 20 114.500 117.804 -3.304 1
2 161 . 9 1 1 A 21 21 GLU H H 21 8.980 8.911 0.069 1
2 162 . 9 1 1 A 21 21 GLU HA H 21 4.090 4.096 -0.006 1
2 164 . 9 1 1 A 21 21 GLU C C 21 176.900 179.026 -2.126 1
2 165 . 9 1 1 A 21 21 GLU CA C 21 59.500 58.922 0.578 1
2 166 . 9 1 1 A 21 21 GLU CB C 21 29.700 29.093 0.607 1
2 167 . 9 1 1 A 21 21 GLU N N 21 121.600 122.363 -0.763 1
2 168 . 9 1 1 A 22 22 GLN H H 22 8.470 8.079 0.391 1
2 169 . 9 1 1 A 22 22 GLN HA H 22 4.540 4.008 0.532 1
2 174 . 9 1 1 A 22 22 GLN C C 22 176.700 176.673 0.027 1
2 175 . 9 1 1 A 22 22 GLN CA C 22 56.700 59.148 -2.448 1
2 176 . 9 1 1 A 22 22 GLN CB C 22 28.000 28.672 -0.672 1
2 178 . 9 1 1 A 22 22 GLN N N 22 113.600 119.496 -5.896 1
2 180 . 9 1 1 A 23 23 GLU H H 23 7.730 7.901 -0.171 1
2 181 . 9 1 1 A 23 23 GLU HA H 23 5.340 4.548 0.792 1
2 184 . 9 1 1 A 23 23 GLU C C 23 174.700 175.725 -1.025 1
2 185 . 9 1 1 A 23 23 GLU CA C 23 55.600 56.839 -1.239 1
2 186 . 9 1 1 A 23 23 GLU CB C 23 32.400 31.152 1.248 1
2 187 . 9 1 1 A 23 23 GLU N N 23 120.200 118.895 1.305 1
2 188 . 9 1 1 A 24 24 LEU H H 24 7.900 8.725 -0.825 1
2 189 . 9 1 1 A 24 24 LEU HA H 24 4.680 5.152 -0.472 1
2 192 . 9 1 1 A 24 24 LEU C C 24 174.300 176.088 -1.788 1
2 193 . 9 1 1 A 24 24 LEU CA C 24 53.200 53.395 -0.195 1
2 194 . 9 1 1 A 24 24 LEU CB C 24 46.500 45.663 0.837 1
2 195 . 9 1 1 A 24 24 LEU N N 24 122.400 121.809 0.591 1
2 196 . 9 1 1 A 25 25 ASP H H 25 7.640 8.883 -1.243 1
2 197 . 9 1 1 A 25 25 ASP HA H 25 5.160 5.173 -0.013 1
2 200 . 9 1 1 A 25 25 ASP C C 25 176.800 176.398 0.402 1
2 201 . 9 1 1 A 25 25 ASP CA C 25 54.200 53.675 0.525 1
2 202 . 9 1 1 A 25 25 ASP CB C 25 42.300 41.599 0.701 1
2 203 . 9 1 1 A 25 25 ASP N N 25 121.400 123.333 -1.933 1
2 204 . 9 1 1 A 26 26 ILE H H 26 8.930 8.856 0.074 1
2 205 . 9 1 1 A 26 26 ILE HA H 26 5.120 5.279 -0.159 1
2 207 . 9 1 1 A 26 26 ILE C C 26 175.200 174.391 0.809 1
2 208 . 9 1 1 A 26 26 ILE CA C 26 59.700 58.846 0.854 1
2 209 . 9 1 1 A 26 26 ILE CB C 26 42.400 41.980 0.420 1
2 210 . 9 1 1 A 26 26 ILE N N 26 115.600 119.240 -3.640 1
2 211 . 9 1 1 A 27 27 LYS H H 27 8.930 8.730 0.200 1
2 212 . 9 1 1 A 27 27 LYS HA H 27 5.090 4.823 0.267 1
2 215 . 9 1 1 A 27 27 LYS C C 27 175.300 174.652 0.648 1
2 216 . 9 1 1 A 27 27 LYS CA C 27 52.900 55.184 -2.284 1
2 217 . 9 1 1 A 27 27 LYS CB C 27 35.400 36.528 -1.128 1
2 218 . 9 1 1 A 27 27 LYS N N 27 123.000 121.605 1.395 1
2 219 . 9 1 1 A 28 28 LYS H H 28 8.990 8.599 0.391 1
2 220 . 9 1 1 A 28 28 LYS HA H 28 3.110 3.940 -0.830 1
2 222 . 9 1 1 A 28 28 LYS C C 28 177.000 177.295 -0.295 1
2 223 . 9 1 1 A 28 28 LYS CA C 28 59.200 58.326 0.874 1
2 224 . 9 1 1 A 28 28 LYS CB C 28 32.600 32.180 0.420 1
2 225 . 9 1 1 A 28 28 LYS N N 28 121.200 126.547 -5.347 1
2 226 . 9 1 1 A 29 29 ASN H H 29 8.700 9.249 -0.549 1
2 227 . 9 1 1 A 29 29 ASN HA H 29 4.180 4.196 -0.016 1
2 232 . 9 1 1 A 29 29 ASN C C 29 174.200 174.320 -0.120 1
2 233 . 9 1 1 A 29 29 ASN CA C 29 55.900 54.426 1.474 1
2 234 . 9 1 1 A 29 29 ASN CB C 29 37.400 37.124 0.276 1
2 235 . 9 1 1 A 29 29 ASN N N 29 118.300 121.724 -3.424 1
2 237 . 9 1 1 A 30 30 GLU H H 30 8.660 7.444 1.216 1
2 238 . 9 1 1 A 30 30 GLU HA H 30 4.160 4.861 -0.701 1
2 241 . 9 1 1 A 30 30 GLU C C 30 175.200 175.094 0.106 1
2 242 . 9 1 1 A 30 30 GLU CA C 30 57.700 54.856 2.844 1
2 243 . 9 1 1 A 30 30 GLU CB C 30 31.800 32.422 -0.622 1
2 244 . 9 1 1 A 30 30 GLU N N 30 124.200 117.603 6.597 1
2 245 . 9 1 1 A 31 31 ARG H H 31 8.490 8.711 -0.221 1
2 246 . 9 1 1 A 31 31 ARG HA H 31 4.580 4.549 0.031 1
2 250 . 9 1 1 A 31 31 ARG C C 31 175.000 175.298 -0.298 1
2 251 . 9 1 1 A 31 31 ARG CA C 31 56.200 56.191 0.009 1
2 252 . 9 1 1 A 31 31 ARG CB C 31 30.800 30.712 0.088 1
2 253 . 9 1 1 A 31 31 ARG N N 31 125.000 127.114 -2.114 1
2 255 . 9 1 1 A 32 32 LEU H H 32 8.860 9.230 -0.370 1
2 256 . 9 1 1 A 32 32 LEU HA H 32 4.840 4.592 0.248 1
2 259 . 9 1 1 A 32 32 LEU C C 32 174.400 175.422 -1.022 1
2 260 . 9 1 1 A 32 32 LEU CA C 32 53.300 52.845 0.455 1
2 261 . 9 1 1 A 32 32 LEU CB C 32 46.300 45.027 1.273 1
2 262 . 9 1 1 A 32 32 LEU N N 32 125.600 125.508 0.092 1
2 263 . 9 1 1 A 33 33 TRP H H 33 9.160 8.566 0.594 1
2 264 . 9 1 1 A 33 33 TRP HA H 33 5.100 5.304 -0.204 1
2 268 . 9 1 1 A 33 33 TRP C C 33 176.000 175.739 0.261 1
2 269 . 9 1 1 A 33 33 TRP CA C 33 58.300 55.560 2.740 1
2 270 . 9 1 1 A 33 33 TRP CB C 33 31.000 31.091 -0.091 1
2 271 . 9 1 1 A 33 33 TRP N N 33 121.000 120.233 0.767 1
2 273 . 9 1 1 A 34 34 LEU H H 34 9.130 8.843 0.287 1
2 274 . 9 1 1 A 34 34 LEU HA H 34 4.330 4.483 -0.153 1
2 277 . 9 1 1 A 34 34 LEU C C 34 175.400 176.214 -0.814 1
2 278 . 9 1 1 A 34 34 LEU CA C 34 55.600 55.461 0.139 1
2 279 . 9 1 1 A 34 34 LEU CB C 34 43.700 42.601 1.099 1
2 280 . 9 1 1 A 34 34 LEU N N 34 125.100 126.266 -1.166 1
2 281 . 9 1 1 A 35 35 LEU H H 35 9.020 9.003 0.017 1
2 282 . 9 1 1 A 35 35 LEU HA H 35 4.620 4.433 0.187 1
2 285 . 9 1 1 A 35 35 LEU C C 35 177.400 176.290 1.110 1
2 286 . 9 1 1 A 35 35 LEU CA C 35 55.400 55.857 -0.457 1
2 287 . 9 1 1 A 35 35 LEU CB C 35 42.600 43.004 -0.404 1
2 288 . 9 1 1 A 35 35 LEU N N 35 126.300 126.773 -0.473 1
2 289 . 9 1 1 A 36 36 ASP H H 36 7.460 7.806 -0.346 1
2 290 . 9 1 1 A 36 36 ASP HA H 36 4.760 4.924 -0.164 1
2 293 . 9 1 1 A 36 36 ASP C C 36 175.000 174.590 0.410 1
2 294 . 9 1 1 A 36 36 ASP CA C 36 55.200 53.761 1.439 1
2 295 . 9 1 1 A 36 36 ASP CB C 36 43.400 42.698 0.702 1
2 296 . 9 1 1 A 36 36 ASP N N 36 115.400 117.130 -1.730 1
2 297 . 9 1 1 A 37 37 ASP H H 37 8.330 8.416 -0.086 1
2 298 . 9 1 1 A 37 37 ASP HA H 37 3.940 4.328 -0.388 1
2 301 . 9 1 1 A 37 37 ASP C C 37 176.400 176.430 -0.030 1
2 302 . 9 1 1 A 37 37 ASP CA C 37 52.200 52.193 0.007 1
2 303 . 9 1 1 A 37 37 ASP CB C 37 39.900 39.262 0.638 1
2 304 . 9 1 1 A 37 37 ASP N N 37 128.400 123.319 5.081 1
2 305 . 9 1 1 A 38 38 SER H H 38 8.470 8.310 0.160 1
2 306 . 9 1 1 A 38 38 SER HA H 38 4.210 4.632 -0.422 1
2 309 . 9 1 1 A 38 38 SER C C 38 175.300 174.469 0.831 1
2 310 . 9 1 1 A 38 38 SER CA C 38 61.600 59.523 2.077 1
2 311 . 9 1 1 A 38 38 SER CB C 38 64.100 64.901 -0.801 1
2 312 . 9 1 1 A 38 38 SER N N 38 115.700 114.531 1.169 1
2 313 . 9 1 1 A 39 39 LYS H H 39 8.440 7.658 0.782 1
2 314 . 9 1 1 A 39 39 LYS HA H 39 4.910 4.462 0.448 1
2 317 . 9 1 1 A 39 39 LYS C C 39 175.900 177.944 -2.044 1
2 318 . 9 1 1 A 39 39 LYS CA C 39 55.000 56.111 -1.111 1
2 319 . 9 1 1 A 39 39 LYS CB C 39 34.300 33.522 0.778 1
2 320 . 9 1 1 A 39 39 LYS N N 39 122.300 120.691 1.609 1
2 321 . 9 1 1 A 40 40 SER H H 40 8.360 8.929 -0.569 1
2 322 . 9 1 1 A 40 40 SER HA H 40 4.310 4.192 0.118 1
2 325 . 9 1 1 A 40 40 SER C C 40 175.200 175.612 -0.412 1
2 326 . 9 1 1 A 40 40 SER CA C 40 60.900 62.600 -1.700 1
2 327 . 9 1 1 A 40 40 SER CB C 40 63.100 63.194 -0.094 1
2 328 . 9 1 1 A 40 40 SER N N 40 112.600 116.055 -3.455 1
2 329 . 9 1 1 A 41 41 TRP H H 41 7.440 8.191 -0.751 1
2 330 . 9 1 1 A 41 41 TRP HA H 41 4.840 4.840 0.000 1
2 334 . 9 1 1 A 41 41 TRP C C 41 175.500 176.554 -1.054 1
2 335 . 9 1 1 A 41 41 TRP CA C 41 56.800 56.716 0.084 1
2 336 . 9 1 1 A 41 41 TRP CB C 41 29.600 29.778 -0.178 1
2 337 . 9 1 1 A 41 41 TRP N N 41 121.300 118.199 3.101 1
2 339 . 9 1 1 A 42 42 TRP H H 42 9.350 8.947 0.403 1
2 340 . 9 1 1 A 42 42 TRP HA H 42 5.440 5.051 0.389 1
2 344 . 9 1 1 A 42 42 TRP C C 42 175.000 176.120 -1.120 1
2 345 . 9 1 1 A 42 42 TRP CA C 42 54.300 57.590 -3.290 1
2 346 . 9 1 1 A 42 42 TRP CB C 42 30.800 29.289 1.511 1
2 347 . 9 1 1 A 42 42 TRP N N 42 125.400 124.932 0.468 1
2 349 . 9 1 1 A 43 43 ARG H H 43 8.810 9.137 -0.327 1
2 350 . 9 1 1 A 43 43 ARG HA H 43 4.530 4.478 0.052 1
2 354 . 9 1 1 A 43 43 ARG C C 43 175.600 176.035 -0.435 1
2 355 . 9 1 1 A 43 43 ARG CA C 43 55.400 56.060 -0.660 1
2 356 . 9 1 1 A 43 43 ARG CB C 43 32.200 30.232 1.968 1
2 357 . 9 1 1 A 43 43 ARG N N 43 124.200 126.260 -2.060 1
2 359 . 9 1 1 A 44 44 VAL H H 44 9.210 8.735 0.475 1
2 360 . 9 1 1 A 44 44 VAL HA H 44 5.510 5.128 0.382 1
2 362 . 9 1 1 A 44 44 VAL C C 44 172.800 174.055 -1.255 1
2 363 . 9 1 1 A 44 44 VAL CA C 44 58.800 58.803 -0.003 1
2 364 . 9 1 1 A 44 44 VAL CB C 44 36.600 36.329 0.271 1
2 365 . 9 1 1 A 44 44 VAL N N 44 121.400 119.279 2.121 1
2 366 . 9 1 1 A 45 45 ARG H H 45 9.260 9.236 0.024 1
2 367 . 9 1 1 A 45 45 ARG HA H 45 5.510 5.234 0.276 1
2 371 . 9 1 1 A 45 45 ARG C C 45 175.700 174.100 1.600 1
2 372 . 9 1 1 A 45 45 ARG CA C 45 53.700 53.826 -0.126 1
2 373 . 9 1 1 A 45 45 ARG CB C 45 35.400 34.181 1.219 1
2 374 . 9 1 1 A 45 45 ARG N N 45 120.000 121.679 -1.679 1
2 376 . 9 1 1 A 46 46 ASN H H 46 8.820 9.146 -0.326 1
2 377 . 9 1 1 A 46 46 ASN HA H 46 5.470 5.452 0.018 1
2 382 . 9 1 1 A 46 46 ASN C C 46 178.500 176.946 1.554 1
2 383 . 9 1 1 A 46 46 ASN CA C 46 50.600 51.280 -0.680 1
2 384 . 9 1 1 A 46 46 ASN CB C 46 41.000 41.853 -0.853 1
2 385 . 9 1 1 A 46 46 ASN N N 46 123.300 123.060 0.240 1
2 387 . 9 1 1 A 47 47 SER H H 47 9.730 9.019 0.711 1
2 388 . 9 1 1 A 47 47 SER HA H 47 4.320 4.544 -0.224 1
2 391 . 9 1 1 A 47 47 SER C C 47 175.200 175.695 -0.495 1
2 392 . 9 1 1 A 47 47 SER CA C 47 61.500 61.824 -0.324 1
2 393 . 9 1 1 A 47 47 SER CB C 47 63.100 62.984 0.116 1
2 394 . 9 1 1 A 47 47 SER N N 47 115.000 118.510 -3.510 1
2 395 . 9 1 1 A 48 48 MET H H 48 7.650 8.030 -0.380 1
2 396 . 9 1 1 A 48 48 MET HA H 48 4.730 4.584 0.146 1
2 399 . 9 1 1 A 48 48 MET C C 48 175.800 176.184 -0.384 1
2 400 . 9 1 1 A 48 48 MET CA C 48 54.500 55.820 -1.320 1
2 401 . 9 1 1 A 48 48 MET CB C 48 31.600 33.239 -1.639 1
2 402 . 9 1 1 A 48 48 MET N N 48 120.300 119.275 1.025 1
2 403 . 9 1 1 A 49 49 ASN H H 49 8.430 8.108 0.322 1
2 404 . 9 1 1 A 49 49 ASN HA H 49 4.210 4.464 -0.254 1
2 409 . 9 1 1 A 49 49 ASN C C 49 174.200 174.247 -0.047 1
2 410 . 9 1 1 A 49 49 ASN CA C 49 54.900 54.352 0.548 1
2 411 . 9 1 1 A 49 49 ASN CB C 49 37.100 36.536 0.564 1
2 412 . 9 1 1 A 49 49 ASN N N 49 113.400 117.012 -3.612 1
2 414 . 9 1 1 A 50 50 LYS H H 50 8.090 7.839 0.251 1
2 415 . 9 1 1 A 50 50 LYS HA H 50 4.560 4.297 0.263 1
2 418 . 9 1 1 A 50 50 LYS C C 50 175.500 175.698 -0.198 1
2 419 . 9 1 1 A 50 50 LYS CA C 50 55.600 56.581 -0.981 1
2 420 . 9 1 1 A 50 50 LYS CB C 50 33.300 33.508 -0.208 1
2 421 . 9 1 1 A 50 50 LYS N N 50 121.000 120.744 0.256 1
2 422 . 9 1 1 A 51 51 THR H H 51 8.310 8.625 -0.315 1
2 423 . 9 1 1 A 51 51 THR HA H 51 5.730 5.262 0.468 1
2 425 . 9 1 1 A 51 51 THR C C 51 174.600 174.289 0.311 1
2 426 . 9 1 1 A 51 51 THR CA C 51 59.300 59.679 -0.379 1
2 427 . 9 1 1 A 51 51 THR CB C 51 71.900 72.496 -0.596 1
2 428 . 9 1 1 A 51 51 THR N N 51 113.800 116.922 -3.122 1
2 429 . 9 1 1 A 52 52 GLY H H 52 8.630 8.080 0.550 1
2 430 . 9 1 1 A 52 52 GLY HA2 H 52 4.090 4.209 -0.119 1
2 431 . 9 1 1 A 52 52 GLY HA3 H 52 3.920 4.258 -0.338 1
2 432 . 9 1 1 A 52 52 GLY C C 52 170.500 171.455 -0.955 1
2 433 . 9 1 1 A 52 52 GLY CA C 52 45.600 45.559 0.041 1
2 434 . 9 1 1 A 52 52 GLY N N 52 107.900 110.634 -2.734 1
2 435 . 9 1 1 A 53 53 PHE H H 53 9.030 8.839 0.191 1
2 436 . 9 1 1 A 53 53 PHE HA H 53 5.850 5.203 0.647 1
2 439 . 9 1 1 A 53 53 PHE C C 53 176.400 175.882 0.518 1
2 440 . 9 1 1 A 53 53 PHE CA C 53 58.000 57.983 0.017 1
2 441 . 9 1 1 A 53 53 PHE CB C 53 42.800 41.081 1.719 1
2 442 . 9 1 1 A 53 53 PHE N N 53 118.200 119.339 -1.139 1
2 443 . 9 1 1 A 54 54 VAL H H 54 9.150 8.959 0.191 1
2 444 . 9 1 1 A 54 54 VAL HA H 54 4.790 5.122 -0.332 1
2 445 . 9 1 1 A 54 54 VAL CA C 54 57.600 58.399 -0.799 1
2 446 . 9 1 1 A 54 54 VAL CB C 54 33.300 34.937 -1.637 1
2 447 . 9 1 1 A 54 54 VAL N N 54 112.100 117.343 -5.243 1
2 448 . 9 1 1 A 57 57 ASN HA H 57 4.480 4.522 -0.042 1
2 453 . 9 1 1 A 57 57 ASN C C 57 175.500 176.259 -0.759 1
2 454 . 9 1 1 A 57 57 ASN CA C 57 53.900 55.013 -1.113 1
2 455 . 9 1 1 A 57 57 ASN CB C 57 36.600 38.279 -1.679 1
2 457 . 9 1 1 A 58 58 TYR H H 58 7.950 7.827 0.123 1
2 458 . 9 1 1 A 58 58 TYR HA H 58 4.460 4.638 -0.178 1
2 461 . 9 1 1 A 58 58 TYR C C 58 175.200 175.805 -0.605 1
2 462 . 9 1 1 A 58 58 TYR CA C 58 59.100 58.912 0.188 1
2 463 . 9 1 1 A 58 58 TYR CB C 58 38.100 40.373 -2.273 1
2 464 . 9 1 1 A 58 58 TYR N N 58 118.400 117.187 1.213 1
2 465 . 9 1 1 A 59 59 VAL H H 59 7.300 7.504 -0.204 1
2 466 . 9 1 1 A 59 59 VAL HA H 59 5.080 4.732 0.348 1
2 468 . 9 1 1 A 59 59 VAL C C 59 173.100 174.445 -1.345 1
2 469 . 9 1 1 A 59 59 VAL CA C 59 58.700 59.671 -0.971 1
2 470 . 9 1 1 A 59 59 VAL CB C 59 35.500 35.014 0.486 1
2 471 . 9 1 1 A 59 59 VAL N N 59 111.800 114.059 -2.259 1
2 472 . 9 1 1 A 60 60 GLU H H 60 8.680 8.693 -0.013 1
2 473 . 9 1 1 A 60 60 GLU HA H 60 4.790 4.707 0.083 1
2 476 . 9 1 1 A 60 60 GLU C C 60 175.600 174.685 0.915 1
2 477 . 9 1 1 A 60 60 GLU CA C 60 54.400 55.773 -1.373 1
2 478 . 9 1 1 A 60 60 GLU CB C 60 33.300 33.294 0.006 1
2 479 . 9 1 1 A 60 60 GLU N N 60 118.900 120.907 -2.007 1
2 480 . 9 1 1 A 61 61 ARG H H 61 9.070 8.525 0.545 1
2 481 . 9 1 1 A 61 61 ARG HA H 61 4.540 4.650 -0.110 1
2 485 . 9 1 1 A 61 61 ARG C C 61 175.900 175.926 -0.026 1
2 486 . 9 1 1 A 61 61 ARG CA C 61 56.500 56.310 0.190 1
2 487 . 9 1 1 A 61 61 ARG CB C 61 31.200 30.460 0.740 1
2 488 . 9 1 1 A 61 61 ARG N N 61 125.400 123.850 1.550 1
2 490 . 9 1 1 A 62 62 LYS H H 62 8.540 8.556 -0.016 1
2 491 . 9 1 1 A 62 62 LYS HA H 62 4.370 4.241 0.129 1
2 494 . 9 1 1 A 62 62 LYS C C 62 176.000 176.705 -0.705 1
2 495 . 9 1 1 A 62 62 LYS CA C 62 55.900 57.070 -1.170 1
2 496 . 9 1 1 A 62 62 LYS CB C 62 33.200 32.728 0.472 1
2 497 . 9 1 1 A 62 62 LYS N N 62 124.400 123.879 0.521 1
2 498 . 9 1 1 A 63 63 ASN H H 63 8.650 8.896 -0.246 1
2 499 . 9 1 1 A 63 63 ASN HA H 63 4.740 5.009 -0.269 1
2 504 . 9 1 1 A 63 63 ASN C C 63 175.300 174.799 0.501 1
2 505 . 9 1 1 A 63 63 ASN CA C 63 53.300 52.868 0.432 1
2 506 . 9 1 1 A 63 63 ASN CB C 63 39.000 38.995 0.005 1
2 507 . 9 1 1 A 63 63 ASN N N 63 121.200 125.862 -4.662 1
2 509 . 9 1 1 A 64 64 SER H H 64 8.370 7.593 0.777 1
2 510 . 9 1 1 A 64 64 SER HA H 64 4.420 4.447 -0.027 1
2 513 . 9 1 1 A 64 64 SER C C 64 174.300 174.047 0.253 1
2 514 . 9 1 1 A 64 64 SER CA C 64 58.400 58.343 0.057 1
2 515 . 9 1 1 A 64 64 SER CB C 64 63.900 63.787 0.113 1
2 516 . 9 1 1 A 64 64 SER N N 64 116.900 116.489 0.411 1
2 517 . 9 1 1 A 65 65 ALA H H 65 8.370 8.445 -0.075 1
2 518 . 9 1 1 A 65 65 ALA HA H 65 4.330 4.341 -0.011 1
2 522 . 9 1 1 A 65 65 ALA C C 65 177.800 177.196 0.604 1
2 523 . 9 1 1 A 65 65 ALA CA C 65 52.700 51.646 1.054 1
2 524 . 9 1 1 A 65 65 ALA CB C 65 19.300 18.419 0.881 1
2 525 . 9 1 1 A 65 65 ALA N N 65 126.000 126.318 -0.318 1
2 526 . 9 1 1 A 66 66 ARG H H 66 8.230 8.452 -0.222 1
2 527 . 9 1 1 A 66 66 ARG HA H 66 4.300 4.139 0.161 1
2 531 . 9 1 1 A 66 66 ARG C C 66 176.100 176.300 -0.200 1
2 532 . 9 1 1 A 66 66 ARG CA C 66 56.000 57.189 -1.189 1
2 533 . 9 1 1 A 66 66 ARG CB C 66 30.800 29.273 1.527 1
2 534 . 9 1 1 A 66 66 ARG N N 66 120.400 121.065 -0.665 1
2 536 . 9 1 1 A 67 67 ALA H H 67 8.290 8.570 -0.280 1
2 537 . 9 1 1 A 67 67 ALA HA H 67 4.290 4.117 0.173 1
2 541 . 9 1 1 A 67 67 ALA C C 67 177.600 177.787 -0.187 1
2 542 . 9 1 1 A 67 67 ALA CA C 67 52.500 54.220 -1.720 1
2 543 . 9 1 1 A 67 67 ALA CB C 67 19.200 18.774 0.426 1
2 544 . 9 1 1 A 67 67 ALA N N 67 125.700 125.522 0.178 1
2 545 . 9 1 1 A 68 68 ALA H H 68 8.270 7.882 0.388 1
2 546 . 9 1 1 A 68 68 ALA HA H 68 4.290 4.404 -0.114 1
2 550 . 9 1 1 A 68 68 ALA C C 68 178.600 176.586 2.014 1
2 551 . 9 1 1 A 68 68 ALA CA C 68 52.400 51.743 0.657 1
2 552 . 9 1 1 A 68 68 ALA CB C 68 19.200 18.653 0.547 1
2 553 . 9 1 1 A 68 68 ALA N N 68 123.100 118.291 4.809 1
2 554 . 9 1 1 A 69 69 ALA H H 69 8.260 7.697 0.563 1
2 555 . 9 1 1 A 69 69 ALA HA H 69 4.300 4.463 -0.163 1
2 559 . 9 1 1 A 69 69 ALA C C 69 177.600 176.984 0.616 1
2 560 . 9 1 1 A 69 69 ALA CA C 69 52.500 51.172 1.328 1
2 561 . 9 1 1 A 69 69 ALA CB C 69 19.200 18.171 1.029 1
2 562 . 9 1 1 A 69 69 ALA N N 69 123.500 122.112 1.388 1
2 563 . 9 1 1 A 70 70 ASN H H 70 8.390 8.648 -0.258 1
2 564 . 9 1 1 A 70 70 ASN HA H 70 4.750 4.938 -0.188 1
2 567 . 9 1 1 A 70 70 ASN C C 70 175.200 175.919 -0.719 1
2 568 . 9 1 1 A 70 70 ASN CA C 70 53.300 53.251 0.049 1
2 569 . 9 1 1 A 70 70 ASN CB C 70 39.000 41.120 -2.120 1
2 570 . 9 1 1 A 70 70 ASN N N 70 117.500 121.590 -4.090 1
2 571 . 9 1 1 A 71 71 SER H H 71 8.240 8.022 0.218 1
2 572 . 9 1 1 A 71 71 SER HA H 71 4.520 4.394 0.126 1
2 575 . 9 1 1 A 71 71 SER C C 71 173.700 173.418 0.282 1
2 576 . 9 1 1 A 71 71 SER CA C 71 58.400 60.679 -2.279 1
2 577 . 9 1 1 A 71 71 SER CB C 71 64.200 61.997 2.203 1
2 578 . 9 1 1 A 71 71 SER N N 71 116.200 114.083 2.117 1
2 5 . 10 1 1 A 2 2 SER H H 2 8.720 9.198 -0.478 1
2 6 . 10 1 1 A 2 2 SER HA H 2 4.600 4.949 -0.349 1
2 9 . 10 1 1 A 2 2 SER C C 2 174.800 173.065 1.735 1
2 10 . 10 1 1 A 2 2 SER CA C 2 58.300 57.397 0.903 1
2 11 . 10 1 1 A 2 2 SER CB C 2 64.000 63.953 0.047 1
2 12 . 10 1 1 A 2 2 SER N N 2 115.900 121.537 -5.637 1
2 13 . 10 1 1 A 3 3 THR H H 3 8.340 8.737 -0.397 1
2 14 . 10 1 1 A 3 3 THR HA H 3 4.390 4.458 -0.068 1
2 16 . 10 1 1 A 3 3 THR C C 3 174.600 174.572 0.028 1
2 17 . 10 1 1 A 3 3 THR CA C 3 62.000 63.766 -1.766 1
2 18 . 10 1 1 A 3 3 THR CB C 3 69.800 68.798 1.002 1
2 19 . 10 1 1 A 3 3 THR N N 3 116.100 122.454 -6.354 1
2 20 . 10 1 1 A 4 4 MET H H 4 8.430 8.598 -0.168 1
2 21 . 10 1 1 A 4 4 MET HA H 4 4.460 4.961 -0.501 1
2 24 . 10 1 1 A 4 4 MET C C 4 175.800 175.422 0.378 1
2 25 . 10 1 1 A 4 4 MET CA C 4 55.600 54.348 1.252 1
2 26 . 10 1 1 A 4 4 MET CB C 4 33.000 37.401 -4.401 1
2 27 . 10 1 1 A 4 4 MET N N 4 122.900 124.651 -1.751 1
2 28 . 10 1 1 A 5 5 ALA H H 5 8.330 8.748 -0.418 1
2 29 . 10 1 1 A 5 5 ALA HA H 5 4.310 4.313 -0.003 1
2 33 . 10 1 1 A 5 5 ALA C C 5 177.500 177.495 0.005 1
2 34 . 10 1 1 A 5 5 ALA CA C 5 52.600 54.508 -1.908 1
2 35 . 10 1 1 A 5 5 ALA CB C 5 19.200 19.567 -0.367 1
2 36 . 10 1 1 A 5 5 ALA N N 5 125.600 124.342 1.258 1
2 37 . 10 1 1 A 6 6 GLU H H 6 8.220 7.698 0.522 1
2 38 . 10 1 1 A 6 6 GLU HA H 6 4.310 4.531 -0.221 1
2 41 . 10 1 1 A 6 6 GLU C C 6 176.200 175.161 1.039 1
2 42 . 10 1 1 A 6 6 GLU CA C 6 56.100 55.547 0.553 1
2 43 . 10 1 1 A 6 6 GLU CB C 6 30.600 30.120 0.480 1
2 44 . 10 1 1 A 6 6 GLU N N 6 119.900 117.563 2.337 1
2 45 . 10 1 1 A 7 7 GLU H H 7 8.450 8.937 -0.487 1
2 46 . 10 1 1 A 7 7 GLU HA H 7 4.440 4.851 -0.411 1
2 49 . 10 1 1 A 7 7 GLU C C 7 176.000 175.250 0.750 1
2 50 . 10 1 1 A 7 7 GLU CA C 7 56.500 55.167 1.333 1
2 51 . 10 1 1 A 7 7 GLU CB C 7 30.700 30.880 -0.180 1
2 52 . 10 1 1 A 7 7 GLU N N 7 122.400 126.328 -3.928 1
2 53 . 10 1 1 A 8 8 VAL H H 8 8.490 8.517 -0.027 1
2 54 . 10 1 1 A 8 8 VAL HA H 8 4.210 4.779 -0.569 1
2 56 . 10 1 1 A 8 8 VAL C C 8 175.900 175.556 0.344 1
2 57 . 10 1 1 A 8 8 VAL CA C 8 62.200 61.301 0.899 1
2 58 . 10 1 1 A 8 8 VAL CB C 8 33.300 33.843 -0.543 1
2 59 . 10 1 1 A 8 8 VAL N N 8 123.400 126.020 -2.620 1
2 60 . 10 1 1 A 9 9 VAL H H 9 8.360 9.040 -0.680 1
2 61 . 10 1 1 A 9 9 VAL HA H 9 4.430 4.961 -0.531 1
2 63 . 10 1 1 A 9 9 VAL C C 9 176.300 174.648 1.652 1
2 64 . 10 1 1 A 9 9 VAL CA C 9 61.700 59.318 2.382 1
2 65 . 10 1 1 A 9 9 VAL CB C 9 33.000 34.414 -1.414 1
2 66 . 10 1 1 A 9 9 VAL N N 9 126.800 121.569 5.231 1
2 67 . 10 1 1 A 10 10 VAL H H 10 8.900 8.854 0.046 1
2 68 . 10 1 1 A 10 10 VAL HA H 10 4.980 5.460 -0.480 1
2 70 . 10 1 1 A 10 10 VAL C C 10 173.400 173.513 -0.113 1
2 71 . 10 1 1 A 10 10 VAL CA C 10 58.300 59.169 -0.869 1
2 72 . 10 1 1 A 10 10 VAL CB C 10 35.100 35.721 -0.621 1
2 73 . 10 1 1 A 10 10 VAL N N 10 119.700 120.467 -0.767 1
2 74 . 10 1 1 A 11 11 VAL H H 11 8.550 8.875 -0.325 1
2 75 . 10 1 1 A 11 11 VAL HA H 11 5.000 4.871 0.129 1
2 77 . 10 1 1 A 11 11 VAL C C 11 176.700 173.778 2.922 1
2 78 . 10 1 1 A 11 11 VAL CA C 11 59.600 59.357 0.243 1
2 79 . 10 1 1 A 11 11 VAL CB C 11 35.100 34.528 0.572 1
2 80 . 10 1 1 A 11 11 VAL N N 11 118.700 122.002 -3.302 1
2 81 . 10 1 1 A 12 12 ALA H H 12 8.770 8.547 0.223 1
2 82 . 10 1 1 A 12 12 ALA HA H 12 4.580 4.895 -0.315 1
2 86 . 10 1 1 A 12 12 ALA C C 12 178.600 178.667 -0.067 1
2 87 . 10 1 1 A 12 12 ALA CA C 12 52.800 51.226 1.574 1
2 88 . 10 1 1 A 12 12 ALA CB C 12 19.900 20.133 -0.233 1
2 89 . 10 1 1 A 12 12 ALA N N 12 128.500 129.567 -1.067 1
2 90 . 10 1 1 A 13 13 LYS H H 13 9.370 8.913 0.457 1
2 91 . 10 1 1 A 13 13 LYS HA H 13 3.850 4.074 -0.224 1
2 94 . 10 1 1 A 13 13 LYS C C 13 174.700 175.467 -0.767 1
2 95 . 10 1 1 A 13 13 LYS CA C 13 57.300 57.312 -0.012 1
2 96 . 10 1 1 A 13 13 LYS CB C 13 33.800 32.645 1.155 1
2 97 . 10 1 1 A 13 13 LYS N N 13 126.700 120.361 6.339 1
2 98 . 10 1 1 A 14 14 PHE H H 14 7.140 7.575 -0.435 1
2 99 . 10 1 1 A 14 14 PHE HA H 14 4.800 5.045 -0.245 1
2 102 . 10 1 1 A 14 14 PHE C C 14 173.600 174.228 -0.628 1
2 103 . 10 1 1 A 14 14 PHE CA C 14 53.700 56.618 -2.918 1
2 104 . 10 1 1 A 14 14 PHE CB C 14 43.700 43.733 -0.033 1
2 105 . 10 1 1 A 14 14 PHE N N 14 111.600 117.974 -6.374 1
2 106 . 10 1 1 A 15 15 ASP H H 15 8.360 9.113 -0.753 1
2 107 . 10 1 1 A 15 15 ASP HA H 15 4.790 5.823 -1.033 1
2 110 . 10 1 1 A 15 15 ASP C C 15 176.400 174.366 2.034 1
2 111 . 10 1 1 A 15 15 ASP CA C 15 54.700 52.808 1.892 1
2 112 . 10 1 1 A 15 15 ASP CB C 15 41.600 43.488 -1.888 1
2 113 . 10 1 1 A 15 15 ASP N N 15 117.400 118.759 -1.359 1
2 114 . 10 1 1 A 16 16 TYR H H 16 8.860 8.925 -0.065 1
2 115 . 10 1 1 A 16 16 TYR HA H 16 4.750 5.249 -0.499 1
2 118 . 10 1 1 A 16 16 TYR C C 16 173.700 173.646 0.054 1
2 119 . 10 1 1 A 16 16 TYR CA C 16 59.500 56.850 2.650 1
2 120 . 10 1 1 A 16 16 TYR CB C 16 41.500 42.175 -0.675 1
2 121 . 10 1 1 A 16 16 TYR N N 16 121.000 123.439 -2.439 1
2 122 . 10 1 1 A 17 17 VAL H H 17 7.180 8.294 -1.114 1
2 123 . 10 1 1 A 17 17 VAL HA H 17 4.150 4.217 -0.067 1
2 125 . 10 1 1 A 17 17 VAL C C 17 174.500 175.289 -0.789 1
2 126 . 10 1 1 A 17 17 VAL CA C 17 60.600 60.817 -0.217 1
2 127 . 10 1 1 A 17 17 VAL CB C 17 32.300 32.961 -0.661 1
2 128 . 10 1 1 A 17 17 VAL N N 17 129.100 124.003 5.097 1
2 129 . 10 1 1 A 18 18 ALA H H 18 8.640 8.217 0.423 1
2 130 . 10 1 1 A 18 18 ALA HA H 18 4.230 4.699 -0.469 1
2 134 . 10 1 1 A 18 18 ALA C C 18 179.100 177.538 1.562 1
2 135 . 10 1 1 A 18 18 ALA CA C 18 53.300 51.877 1.423 1
2 136 . 10 1 1 A 18 18 ALA CB C 18 19.900 18.626 1.274 1
2 137 . 10 1 1 A 18 18 ALA N N 18 128.900 131.329 -2.429 1
2 138 . 10 1 1 A 19 19 GLN H H 19 9.080 8.068 1.012 1
2 139 . 10 1 1 A 19 19 GLN HA H 19 4.320 3.977 0.343 1
2 144 . 10 1 1 A 19 19 GLN C C 19 175.500 176.853 -1.353 1
2 145 . 10 1 1 A 19 19 GLN CA C 19 55.100 59.816 -4.716 1
2 146 . 10 1 1 A 19 19 GLN CB C 19 31.200 28.984 2.216 1
2 148 . 10 1 1 A 19 19 GLN N N 19 120.400 125.117 -4.717 1
2 150 . 10 1 1 A 20 20 GLN H H 20 7.220 8.123 -0.903 1
2 151 . 10 1 1 A 20 20 GLN HA H 20 4.590 4.338 0.252 1
2 156 . 10 1 1 A 20 20 GLN C C 20 176.800 176.883 -0.083 1
2 157 . 10 1 1 A 20 20 GLN CA C 20 53.900 55.773 -1.873 1
2 158 . 10 1 1 A 20 20 GLN CB C 20 32.400 30.464 1.936 1
2 159 . 10 1 1 A 20 20 GLN N N 20 114.500 117.701 -3.201 1
2 161 . 10 1 1 A 21 21 GLU H H 21 8.980 8.896 0.084 1
2 162 . 10 1 1 A 21 21 GLU HA H 21 4.090 4.079 0.011 1
2 164 . 10 1 1 A 21 21 GLU C C 21 176.900 179.054 -2.154 1
2 165 . 10 1 1 A 21 21 GLU CA C 21 59.500 58.793 0.707 1
2 166 . 10 1 1 A 21 21 GLU CB C 21 29.700 29.105 0.595 1
2 167 . 10 1 1 A 21 21 GLU N N 21 121.600 124.145 -2.545 1
2 168 . 10 1 1 A 22 22 GLN H H 22 8.470 8.115 0.355 1
2 169 . 10 1 1 A 22 22 GLN HA H 22 4.540 4.069 0.471 1
2 174 . 10 1 1 A 22 22 GLN C C 22 176.700 176.631 0.069 1
2 175 . 10 1 1 A 22 22 GLN CA C 22 56.700 58.944 -2.244 1
2 176 . 10 1 1 A 22 22 GLN CB C 22 28.000 28.745 -0.745 1
2 178 . 10 1 1 A 22 22 GLN N N 22 113.600 119.346 -5.746 1
2 180 . 10 1 1 A 23 23 GLU H H 23 7.730 7.829 -0.099 1
2 181 . 10 1 1 A 23 23 GLU HA H 23 5.340 4.536 0.804 1
2 184 . 10 1 1 A 23 23 GLU C C 23 174.700 175.977 -1.277 1
2 185 . 10 1 1 A 23 23 GLU CA C 23 55.600 56.823 -1.223 1
2 186 . 10 1 1 A 23 23 GLU CB C 23 32.400 31.053 1.347 1
2 187 . 10 1 1 A 23 23 GLU N N 23 120.200 118.922 1.278 1
2 188 . 10 1 1 A 24 24 LEU H H 24 7.900 8.661 -0.761 1
2 189 . 10 1 1 A 24 24 LEU HA H 24 4.680 5.166 -0.486 1
2 192 . 10 1 1 A 24 24 LEU C C 24 174.300 175.946 -1.646 1
2 193 . 10 1 1 A 24 24 LEU CA C 24 53.200 53.480 -0.280 1
2 194 . 10 1 1 A 24 24 LEU CB C 24 46.500 45.485 1.015 1
2 195 . 10 1 1 A 24 24 LEU N N 24 122.400 122.259 0.141 1
2 196 . 10 1 1 A 25 25 ASP H H 25 7.640 8.782 -1.142 1
2 197 . 10 1 1 A 25 25 ASP HA H 25 5.160 5.308 -0.148 1
2 200 . 10 1 1 A 25 25 ASP C C 25 176.800 176.018 0.782 1
2 201 . 10 1 1 A 25 25 ASP CA C 25 54.200 52.904 1.296 1
2 202 . 10 1 1 A 25 25 ASP CB C 25 42.300 42.178 0.122 1
2 203 . 10 1 1 A 25 25 ASP N N 25 121.400 122.412 -1.012 1
2 204 . 10 1 1 A 26 26 ILE H H 26 8.930 8.747 0.183 1
2 205 . 10 1 1 A 26 26 ILE HA H 26 5.120 5.288 -0.168 1
2 207 . 10 1 1 A 26 26 ILE C C 26 175.200 174.161 1.039 1
2 208 . 10 1 1 A 26 26 ILE CA C 26 59.700 58.873 0.827 1
2 209 . 10 1 1 A 26 26 ILE CB C 26 42.400 42.249 0.151 1
2 210 . 10 1 1 A 26 26 ILE N N 26 115.600 119.236 -3.636 1
2 211 . 10 1 1 A 27 27 LYS H H 27 8.930 8.761 0.169 1
2 212 . 10 1 1 A 27 27 LYS HA H 27 5.090 4.812 0.278 1
2 215 . 10 1 1 A 27 27 LYS C C 27 175.300 174.655 0.645 1
2 216 . 10 1 1 A 27 27 LYS CA C 27 52.900 55.136 -2.236 1
2 217 . 10 1 1 A 27 27 LYS CB C 27 35.400 36.558 -1.158 1
2 218 . 10 1 1 A 27 27 LYS N N 27 123.000 121.760 1.240 1
2 219 . 10 1 1 A 28 28 LYS H H 28 8.990 8.630 0.360 1
2 220 . 10 1 1 A 28 28 LYS HA H 28 3.110 3.973 -0.863 1
2 222 . 10 1 1 A 28 28 LYS C C 28 177.000 177.326 -0.326 1
2 223 . 10 1 1 A 28 28 LYS CA C 28 59.200 58.333 0.867 1
2 224 . 10 1 1 A 28 28 LYS CB C 28 32.600 32.232 0.368 1
2 225 . 10 1 1 A 28 28 LYS N N 28 121.200 126.622 -5.422 1
2 226 . 10 1 1 A 29 29 ASN H H 29 8.700 9.228 -0.528 1
2 227 . 10 1 1 A 29 29 ASN HA H 29 4.180 4.213 -0.033 1
2 232 . 10 1 1 A 29 29 ASN C C 29 174.200 174.235 -0.035 1
2 233 . 10 1 1 A 29 29 ASN CA C 29 55.900 54.403 1.497 1
2 234 . 10 1 1 A 29 29 ASN CB C 29 37.400 37.102 0.298 1
2 235 . 10 1 1 A 29 29 ASN N N 29 118.300 120.512 -2.212 1
2 237 . 10 1 1 A 30 30 GLU H H 30 8.660 7.857 0.803 1
2 238 . 10 1 1 A 30 30 GLU HA H 30 4.160 4.888 -0.728 1
2 241 . 10 1 1 A 30 30 GLU C C 30 175.200 175.110 0.090 1
2 242 . 10 1 1 A 30 30 GLU CA C 30 57.700 54.949 2.751 1
2 243 . 10 1 1 A 30 30 GLU CB C 30 31.800 32.443 -0.643 1
2 244 . 10 1 1 A 30 30 GLU N N 30 124.200 117.567 6.633 1
2 245 . 10 1 1 A 31 31 ARG H H 31 8.490 8.712 -0.222 1
2 246 . 10 1 1 A 31 31 ARG HA H 31 4.580 4.552 0.028 1
2 250 . 10 1 1 A 31 31 ARG C C 31 175.000 175.600 -0.600 1
2 251 . 10 1 1 A 31 31 ARG CA C 31 56.200 55.911 0.289 1
2 252 . 10 1 1 A 31 31 ARG CB C 31 30.800 30.629 0.171 1
2 253 . 10 1 1 A 31 31 ARG N N 31 125.000 126.695 -1.695 1
2 255 . 10 1 1 A 32 32 LEU H H 32 8.860 9.140 -0.280 1
2 256 . 10 1 1 A 32 32 LEU HA H 32 4.840 4.504 0.336 1
2 259 . 10 1 1 A 32 32 LEU C C 32 174.400 175.305 -0.905 1
2 260 . 10 1 1 A 32 32 LEU CA C 32 53.300 53.028 0.272 1
2 261 . 10 1 1 A 32 32 LEU CB C 32 46.300 45.711 0.589 1
2 262 . 10 1 1 A 32 32 LEU N N 32 125.600 124.691 0.909 1
2 263 . 10 1 1 A 33 33 TRP H H 33 9.160 8.547 0.613 1
2 264 . 10 1 1 A 33 33 TRP HA H 33 5.100 5.247 -0.147 1
2 268 . 10 1 1 A 33 33 TRP C C 33 176.000 175.700 0.300 1
2 269 . 10 1 1 A 33 33 TRP CA C 33 58.300 55.957 2.343 1
2 270 . 10 1 1 A 33 33 TRP CB C 33 31.000 30.360 0.640 1
2 271 . 10 1 1 A 33 33 TRP N N 33 121.000 120.968 0.032 1
2 273 . 10 1 1 A 34 34 LEU H H 34 9.130 8.825 0.305 1
2 274 . 10 1 1 A 34 34 LEU HA H 34 4.330 4.410 -0.080 1
2 277 . 10 1 1 A 34 34 LEU C C 34 175.400 175.954 -0.554 1
2 278 . 10 1 1 A 34 34 LEU CA C 34 55.600 55.690 -0.090 1
2 279 . 10 1 1 A 34 34 LEU CB C 34 43.700 42.455 1.245 1
2 280 . 10 1 1 A 34 34 LEU N N 34 125.100 127.315 -2.215 1
2 281 . 10 1 1 A 35 35 LEU H H 35 9.020 8.920 0.100 1
2 282 . 10 1 1 A 35 35 LEU HA H 35 4.620 4.347 0.273 1
2 285 . 10 1 1 A 35 35 LEU C C 35 177.400 176.432 0.968 1
2 286 . 10 1 1 A 35 35 LEU CA C 35 55.400 56.003 -0.603 1
2 287 . 10 1 1 A 35 35 LEU CB C 35 42.600 42.539 0.061 1
2 288 . 10 1 1 A 35 35 LEU N N 35 126.300 127.827 -1.527 1
2 289 . 10 1 1 A 36 36 ASP H H 36 7.460 7.531 -0.071 1
2 290 . 10 1 1 A 36 36 ASP HA H 36 4.760 4.919 -0.159 1
2 293 . 10 1 1 A 36 36 ASP C C 36 175.000 175.046 -0.046 1
2 294 . 10 1 1 A 36 36 ASP CA C 36 55.200 52.909 2.291 1
2 295 . 10 1 1 A 36 36 ASP CB C 36 43.400 42.664 0.736 1
2 296 . 10 1 1 A 36 36 ASP N N 36 115.400 118.120 -2.720 1
2 297 . 10 1 1 A 37 37 ASP H H 37 8.330 8.376 -0.046 1
2 298 . 10 1 1 A 37 37 ASP HA H 37 3.940 4.672 -0.732 1
2 301 . 10 1 1 A 37 37 ASP C C 37 176.400 176.727 -0.327 1
2 302 . 10 1 1 A 37 37 ASP CA C 37 52.200 52.382 -0.182 1
2 303 . 10 1 1 A 37 37 ASP CB C 37 39.900 39.517 0.383 1
2 304 . 10 1 1 A 37 37 ASP N N 37 128.400 123.964 4.436 1
2 305 . 10 1 1 A 38 38 SER H H 38 8.470 8.238 0.232 1
2 306 . 10 1 1 A 38 38 SER HA H 38 4.210 4.585 -0.375 1
2 309 . 10 1 1 A 38 38 SER C C 38 175.300 174.484 0.816 1
2 310 . 10 1 1 A 38 38 SER CA C 38 61.600 60.924 0.676 1
2 311 . 10 1 1 A 38 38 SER CB C 38 64.100 64.178 -0.078 1
2 312 . 10 1 1 A 38 38 SER N N 38 115.700 115.071 0.629 1
2 313 . 10 1 1 A 39 39 LYS H H 39 8.440 7.684 0.756 1
2 314 . 10 1 1 A 39 39 LYS HA H 39 4.910 4.468 0.442 1
2 317 . 10 1 1 A 39 39 LYS C C 39 175.900 177.765 -1.865 1
2 318 . 10 1 1 A 39 39 LYS CA C 39 55.000 56.108 -1.108 1
2 319 . 10 1 1 A 39 39 LYS CB C 39 34.300 33.485 0.815 1
2 320 . 10 1 1 A 39 39 LYS N N 39 122.300 120.286 2.014 1
2 321 . 10 1 1 A 40 40 SER H H 40 8.360 8.947 -0.587 1
2 322 . 10 1 1 A 40 40 SER HA H 40 4.310 4.178 0.132 1
2 325 . 10 1 1 A 40 40 SER C C 40 175.200 174.514 0.686 1
2 326 . 10 1 1 A 40 40 SER CA C 40 60.900 62.176 -1.276 1
2 327 . 10 1 1 A 40 40 SER CB C 40 63.100 63.387 -0.287 1
2 328 . 10 1 1 A 40 40 SER N N 40 112.600 117.977 -5.377 1
2 329 . 10 1 1 A 41 41 TRP H H 41 7.440 8.205 -0.765 1
2 330 . 10 1 1 A 41 41 TRP HA H 41 4.840 4.813 0.027 1
2 334 . 10 1 1 A 41 41 TRP C C 41 175.500 176.548 -1.048 1
2 335 . 10 1 1 A 41 41 TRP CA C 41 56.800 57.284 -0.484 1
2 336 . 10 1 1 A 41 41 TRP CB C 41 29.600 29.769 -0.169 1
2 337 . 10 1 1 A 41 41 TRP N N 41 121.300 118.281 3.019 1
2 339 . 10 1 1 A 42 42 TRP H H 42 9.350 8.888 0.462 1
2 340 . 10 1 1 A 42 42 TRP HA H 42 5.440 4.993 0.447 1
2 344 . 10 1 1 A 42 42 TRP C C 42 175.000 176.123 -1.123 1
2 345 . 10 1 1 A 42 42 TRP CA C 42 54.300 57.674 -3.374 1
2 346 . 10 1 1 A 42 42 TRP CB C 42 30.800 29.503 1.297 1
2 347 . 10 1 1 A 42 42 TRP N N 42 125.400 125.050 0.350 1
2 349 . 10 1 1 A 43 43 ARG H H 43 8.810 9.154 -0.344 1
2 350 . 10 1 1 A 43 43 ARG HA H 43 4.530 4.467 0.063 1
2 354 . 10 1 1 A 43 43 ARG C C 43 175.600 176.026 -0.426 1
2 355 . 10 1 1 A 43 43 ARG CA C 43 55.400 56.147 -0.747 1
2 356 . 10 1 1 A 43 43 ARG CB C 43 32.200 30.435 1.765 1
2 357 . 10 1 1 A 43 43 ARG N N 43 124.200 126.318 -2.118 1
2 359 . 10 1 1 A 44 44 VAL H H 44 9.210 8.755 0.455 1
2 360 . 10 1 1 A 44 44 VAL HA H 44 5.510 5.018 0.492 1
2 362 . 10 1 1 A 44 44 VAL C C 44 172.800 174.126 -1.326 1
2 363 . 10 1 1 A 44 44 VAL CA C 44 58.800 58.679 0.121 1
2 364 . 10 1 1 A 44 44 VAL CB C 44 36.600 36.318 0.282 1
2 365 . 10 1 1 A 44 44 VAL N N 44 121.400 118.970 2.430 1
2 366 . 10 1 1 A 45 45 ARG H H 45 9.260 8.905 0.355 1
2 367 . 10 1 1 A 45 45 ARG HA H 45 5.510 5.228 0.282 1
2 371 . 10 1 1 A 45 45 ARG C C 45 175.700 174.372 1.328 1
2 372 . 10 1 1 A 45 45 ARG CA C 45 53.700 53.947 -0.247 1
2 373 . 10 1 1 A 45 45 ARG CB C 45 35.400 34.202 1.198 1
2 374 . 10 1 1 A 45 45 ARG N N 45 120.000 121.487 -1.487 1
2 376 . 10 1 1 A 46 46 ASN H H 46 8.820 9.112 -0.292 1
2 377 . 10 1 1 A 46 46 ASN HA H 46 5.470 5.471 -0.001 1
2 382 . 10 1 1 A 46 46 ASN C C 46 178.500 176.064 2.436 1
2 383 . 10 1 1 A 46 46 ASN CA C 46 50.600 51.365 -0.765 1
2 384 . 10 1 1 A 46 46 ASN CB C 46 41.000 41.717 -0.717 1
2 385 . 10 1 1 A 46 46 ASN N N 46 123.300 122.979 0.321 1
2 387 . 10 1 1 A 47 47 SER H H 47 9.730 9.166 0.564 1
2 388 . 10 1 1 A 47 47 SER HA H 47 4.320 4.334 -0.014 1
2 391 . 10 1 1 A 47 47 SER C C 47 175.200 175.660 -0.460 1
2 392 . 10 1 1 A 47 47 SER CA C 47 61.500 61.400 0.100 1
2 393 . 10 1 1 A 47 47 SER CB C 47 63.100 62.845 0.255 1
2 394 . 10 1 1 A 47 47 SER N N 47 115.000 119.879 -4.879 1
2 395 . 10 1 1 A 48 48 MET H H 48 7.650 8.016 -0.366 1
2 396 . 10 1 1 A 48 48 MET HA H 48 4.730 4.575 0.155 1
2 399 . 10 1 1 A 48 48 MET C C 48 175.800 176.143 -0.343 1
2 400 . 10 1 1 A 48 48 MET CA C 48 54.500 55.810 -1.310 1
2 401 . 10 1 1 A 48 48 MET CB C 48 31.600 33.306 -1.706 1
2 402 . 10 1 1 A 48 48 MET N N 48 120.300 117.978 2.322 1
2 403 . 10 1 1 A 49 49 ASN H H 49 8.430 8.182 0.248 1
2 404 . 10 1 1 A 49 49 ASN HA H 49 4.210 4.461 -0.251 1
2 409 . 10 1 1 A 49 49 ASN C C 49 174.200 174.274 -0.074 1
2 410 . 10 1 1 A 49 49 ASN CA C 49 54.900 54.348 0.552 1
2 411 . 10 1 1 A 49 49 ASN CB C 49 37.100 36.537 0.563 1
2 412 . 10 1 1 A 49 49 ASN N N 49 113.400 117.011 -3.611 1
2 414 . 10 1 1 A 50 50 LYS H H 50 8.090 7.725 0.365 1
2 415 . 10 1 1 A 50 50 LYS HA H 50 4.560 4.286 0.274 1
2 418 . 10 1 1 A 50 50 LYS C C 50 175.500 175.543 -0.043 1
2 419 . 10 1 1 A 50 50 LYS CA C 50 55.600 56.819 -1.219 1
2 420 . 10 1 1 A 50 50 LYS CB C 50 33.300 33.397 -0.097 1
2 421 . 10 1 1 A 50 50 LYS N N 50 121.000 120.917 0.083 1
2 422 . 10 1 1 A 51 51 THR H H 51 8.310 8.598 -0.288 1
2 423 . 10 1 1 A 51 51 THR HA H 51 5.730 5.282 0.448 1
2 425 . 10 1 1 A 51 51 THR C C 51 174.600 173.918 0.682 1
2 426 . 10 1 1 A 51 51 THR CA C 51 59.300 60.031 -0.731 1
2 427 . 10 1 1 A 51 51 THR CB C 51 71.900 71.180 0.720 1
2 428 . 10 1 1 A 51 51 THR N N 51 113.800 117.282 -3.482 1
2 429 . 10 1 1 A 52 52 GLY H H 52 8.630 8.317 0.313 1
2 430 . 10 1 1 A 52 52 GLY HA2 H 52 4.090 4.324 -0.234 1
2 431 . 10 1 1 A 52 52 GLY HA3 H 52 3.920 4.365 -0.445 1
2 432 . 10 1 1 A 52 52 GLY C C 52 170.500 171.660 -1.160 1
2 433 . 10 1 1 A 52 52 GLY CA C 52 45.600 45.117 0.483 1
2 434 . 10 1 1 A 52 52 GLY N N 52 107.900 112.287 -4.387 1
2 435 . 10 1 1 A 53 53 PHE H H 53 9.030 8.712 0.318 1
2 436 . 10 1 1 A 53 53 PHE HA H 53 5.850 5.393 0.457 1
2 439 . 10 1 1 A 53 53 PHE C C 53 176.400 175.710 0.690 1
2 440 . 10 1 1 A 53 53 PHE CA C 53 58.000 57.234 0.766 1
2 441 . 10 1 1 A 53 53 PHE CB C 53 42.800 41.343 1.457 1
2 442 . 10 1 1 A 53 53 PHE N N 53 118.200 119.254 -1.054 1
2 443 . 10 1 1 A 54 54 VAL H H 54 9.150 9.131 0.019 1
2 444 . 10 1 1 A 54 54 VAL HA H 54 4.790 5.078 -0.288 1
2 445 . 10 1 1 A 54 54 VAL CA C 54 57.600 58.353 -0.753 1
2 446 . 10 1 1 A 54 54 VAL CB C 54 33.300 34.843 -1.543 1
2 447 . 10 1 1 A 54 54 VAL N N 54 112.100 117.381 -5.281 1
2 448 . 10 1 1 A 57 57 ASN HA H 57 4.480 4.665 -0.185 1
2 453 . 10 1 1 A 57 57 ASN C C 57 175.500 176.065 -0.565 1
2 454 . 10 1 1 A 57 57 ASN CA C 57 53.900 54.271 -0.371 1
2 455 . 10 1 1 A 57 57 ASN CB C 57 36.600 39.234 -2.634 1
2 457 . 10 1 1 A 58 58 TYR H H 58 7.950 8.147 -0.197 1
2 458 . 10 1 1 A 58 58 TYR HA H 58 4.460 4.659 -0.199 1
2 461 . 10 1 1 A 58 58 TYR C C 58 175.200 175.790 -0.590 1
2 462 . 10 1 1 A 58 58 TYR CA C 58 59.100 59.083 0.017 1
2 463 . 10 1 1 A 58 58 TYR CB C 58 38.100 40.393 -2.293 1
2 464 . 10 1 1 A 58 58 TYR N N 58 118.400 116.839 1.561 1
2 465 . 10 1 1 A 59 59 VAL H H 59 7.300 7.552 -0.252 1
2 466 . 10 1 1 A 59 59 VAL HA H 59 5.080 5.158 -0.078 1
2 468 . 10 1 1 A 59 59 VAL C C 59 173.100 174.343 -1.243 1
2 469 . 10 1 1 A 59 59 VAL CA C 59 58.700 59.720 -1.020 1
2 470 . 10 1 1 A 59 59 VAL CB C 59 35.500 34.513 0.987 1
2 471 . 10 1 1 A 59 59 VAL N N 59 111.800 115.067 -3.267 1
2 472 . 10 1 1 A 60 60 GLU H H 60 8.680 8.339 0.341 1
2 473 . 10 1 1 A 60 60 GLU HA H 60 4.790 4.875 -0.085 1
2 476 . 10 1 1 A 60 60 GLU C C 60 175.600 174.865 0.735 1
2 477 . 10 1 1 A 60 60 GLU CA C 60 54.400 55.645 -1.245 1
2 478 . 10 1 1 A 60 60 GLU CB C 60 33.300 33.846 -0.546 1
2 479 . 10 1 1 A 60 60 GLU N N 60 118.900 120.478 -1.578 1
2 480 . 10 1 1 A 61 61 ARG H H 61 9.070 8.659 0.411 1
2 481 . 10 1 1 A 61 61 ARG HA H 61 4.540 4.525 0.015 1
2 485 . 10 1 1 A 61 61 ARG C C 61 175.900 177.317 -1.417 1
2 486 . 10 1 1 A 61 61 ARG CA C 61 56.500 57.451 -0.951 1
2 487 . 10 1 1 A 61 61 ARG CB C 61 31.200 30.418 0.782 1
2 488 . 10 1 1 A 61 61 ARG N N 61 125.400 125.146 0.254 1
2 490 . 10 1 1 A 62 62 LYS H H 62 8.540 9.309 -0.769 1
2 491 . 10 1 1 A 62 62 LYS HA H 62 4.370 3.812 0.558 1
2 494 . 10 1 1 A 62 62 LYS C C 62 176.000 177.242 -1.242 1
2 495 . 10 1 1 A 62 62 LYS CA C 62 55.900 59.996 -4.096 1
2 496 . 10 1 1 A 62 62 LYS CB C 62 33.200 32.727 0.473 1
2 497 . 10 1 1 A 62 62 LYS N N 62 124.400 125.011 -0.611 1
2 498 . 10 1 1 A 63 63 ASN H H 63 8.650 7.976 0.674 1
2 499 . 10 1 1 A 63 63 ASN HA H 63 4.740 4.943 -0.203 1
2 504 . 10 1 1 A 63 63 ASN C C 63 175.300 175.843 -0.543 1
2 505 . 10 1 1 A 63 63 ASN CA C 63 53.300 52.286 1.014 1
2 506 . 10 1 1 A 63 63 ASN CB C 63 39.000 39.345 -0.345 1
2 507 . 10 1 1 A 63 63 ASN N N 63 121.200 117.535 3.665 1
2 509 . 10 1 1 A 64 64 SER H H 64 8.370 8.382 -0.012 1
2 510 . 10 1 1 A 64 64 SER HA H 64 4.420 4.516 -0.096 1
2 513 . 10 1 1 A 64 64 SER C C 64 174.300 174.713 -0.413 1
2 514 . 10 1 1 A 64 64 SER CA C 64 58.400 60.880 -2.480 1
2 515 . 10 1 1 A 64 64 SER CB C 64 63.900 63.844 0.056 1
2 516 . 10 1 1 A 64 64 SER N N 64 116.900 117.120 -0.220 1
2 517 . 10 1 1 A 65 65 ALA H H 65 8.370 7.656 0.714 1
2 518 . 10 1 1 A 65 65 ALA HA H 65 4.330 4.358 -0.028 1
2 522 . 10 1 1 A 65 65 ALA C C 65 177.800 177.247 0.553 1
2 523 . 10 1 1 A 65 65 ALA CA C 65 52.700 51.916 0.784 1
2 524 . 10 1 1 A 65 65 ALA CB C 65 19.300 19.455 -0.155 1
2 525 . 10 1 1 A 65 65 ALA N N 65 126.000 123.308 2.692 1
2 526 . 10 1 1 A 66 66 ARG H H 66 8.230 8.856 -0.626 1
2 527 . 10 1 1 A 66 66 ARG HA H 66 4.300 4.043 0.257 1
2 531 . 10 1 1 A 66 66 ARG C C 66 176.100 176.822 -0.722 1
2 532 . 10 1 1 A 66 66 ARG CA C 66 56.000 56.380 -0.380 1
2 533 . 10 1 1 A 66 66 ARG CB C 66 30.800 28.954 1.846 1
2 534 . 10 1 1 A 66 66 ARG N N 66 120.400 123.603 -3.203 1
2 536 . 10 1 1 A 67 67 ALA H H 67 8.290 8.016 0.274 1
2 537 . 10 1 1 A 67 67 ALA HA H 67 4.290 4.124 0.166 1
2 541 . 10 1 1 A 67 67 ALA C C 67 177.600 179.510 -1.910 1
2 542 . 10 1 1 A 67 67 ALA CA C 67 52.500 55.129 -2.629 1
2 543 . 10 1 1 A 67 67 ALA CB C 67 19.200 18.230 0.970 1
2 544 . 10 1 1 A 67 67 ALA N N 67 125.700 124.980 0.720 1
2 545 . 10 1 1 A 68 68 ALA H H 68 8.270 8.131 0.139 1
2 546 . 10 1 1 A 68 68 ALA HA H 68 4.290 4.052 0.238 1
2 550 . 10 1 1 A 68 68 ALA C C 68 178.600 179.276 -0.676 1
2 551 . 10 1 1 A 68 68 ALA CA C 68 52.400 55.188 -2.788 1
2 552 . 10 1 1 A 68 68 ALA CB C 68 19.200 18.585 0.615 1
2 553 . 10 1 1 A 68 68 ALA N N 68 123.100 119.288 3.812 1
2 554 . 10 1 1 A 69 69 ALA H H 69 8.260 7.601 0.659 1
2 555 . 10 1 1 A 69 69 ALA HA H 69 4.300 4.138 0.162 1
2 559 . 10 1 1 A 69 69 ALA C C 69 177.600 177.031 0.569 1
2 560 . 10 1 1 A 69 69 ALA CA C 69 52.500 52.758 -0.258 1
2 561 . 10 1 1 A 69 69 ALA CB C 69 19.200 18.735 0.465 1
2 562 . 10 1 1 A 69 69 ALA N N 69 123.500 119.714 3.786 1
2 563 . 10 1 1 A 70 70 ASN H H 70 8.390 8.554 -0.164 1
2 564 . 10 1 1 A 70 70 ASN HA H 70 4.750 5.429 -0.679 1
2 567 . 10 1 1 A 70 70 ASN C C 70 175.200 173.904 1.296 1
2 568 . 10 1 1 A 70 70 ASN CA C 70 53.300 50.991 2.309 1
2 569 . 10 1 1 A 70 70 ASN CB C 70 39.000 41.134 -2.134 1
2 570 . 10 1 1 A 70 70 ASN N N 70 117.500 120.291 -2.791 1
2 571 . 10 1 1 A 71 71 SER H H 71 8.240 8.655 -0.415 1
2 572 . 10 1 1 A 71 71 SER HA H 71 4.520 4.266 0.254 1
2 575 . 10 1 1 A 71 71 SER C C 71 173.700 175.328 -1.628 1
2 576 . 10 1 1 A 71 71 SER CA C 71 58.400 58.807 -0.407 1
2 577 . 10 1 1 A 71 71 SER CB C 71 64.200 64.304 -0.104 1
2 578 . 10 1 1 A 71 71 SER N N 71 116.200 115.829 0.371 1
2 5 . 11 1 1 A 2 2 SER H H 2 8.720 8.584 0.136 1
2 6 . 11 1 1 A 2 2 SER HA H 2 4.600 4.531 0.069 1
2 9 . 11 1 1 A 2 2 SER C C 2 174.800 173.845 0.955 1
2 10 . 11 1 1 A 2 2 SER CA C 2 58.300 57.503 0.797 1
2 11 . 11 1 1 A 2 2 SER CB C 2 64.000 61.568 2.432 1
2 12 . 11 1 1 A 2 2 SER N N 2 115.900 121.245 -5.345 1
2 13 . 11 1 1 A 3 3 THR H H 3 8.340 7.280 1.060 1
2 14 . 11 1 1 A 3 3 THR HA H 3 4.390 4.158 0.232 1
2 16 . 11 1 1 A 3 3 THR C C 3 174.600 174.996 -0.396 1
2 17 . 11 1 1 A 3 3 THR CA C 3 62.000 64.160 -2.160 1
2 18 . 11 1 1 A 3 3 THR CB C 3 69.800 69.243 0.557 1
2 19 . 11 1 1 A 3 3 THR N N 3 116.100 116.832 -0.732 1
2 20 . 11 1 1 A 4 4 MET H H 4 8.430 8.518 -0.088 1
2 21 . 11 1 1 A 4 4 MET HA H 4 4.460 4.383 0.077 1
2 24 . 11 1 1 A 4 4 MET C C 4 175.800 176.179 -0.379 1
2 25 . 11 1 1 A 4 4 MET CA C 4 55.600 56.427 -0.827 1
2 26 . 11 1 1 A 4 4 MET CB C 4 33.000 34.203 -1.203 1
2 27 . 11 1 1 A 4 4 MET N N 4 122.900 125.470 -2.570 1
2 28 . 11 1 1 A 5 5 ALA H H 5 8.330 8.653 -0.323 1
2 29 . 11 1 1 A 5 5 ALA HA H 5 4.310 4.012 0.298 1
2 33 . 11 1 1 A 5 5 ALA C C 5 177.500 177.751 -0.251 1
2 34 . 11 1 1 A 5 5 ALA CA C 5 52.600 55.184 -2.584 1
2 35 . 11 1 1 A 5 5 ALA CB C 5 19.200 19.109 0.091 1
2 36 . 11 1 1 A 5 5 ALA N N 5 125.600 126.532 -0.932 1
2 37 . 11 1 1 A 6 6 GLU H H 6 8.220 8.163 0.057 1
2 38 . 11 1 1 A 6 6 GLU HA H 6 4.310 3.968 0.342 1
2 41 . 11 1 1 A 6 6 GLU C C 6 176.200 175.111 1.089 1
2 42 . 11 1 1 A 6 6 GLU CA C 6 56.100 57.320 -1.220 1
2 43 . 11 1 1 A 6 6 GLU CB C 6 30.600 28.363 2.237 1
2 44 . 11 1 1 A 6 6 GLU N N 6 119.900 117.774 2.126 1
2 45 . 11 1 1 A 7 7 GLU H H 7 8.450 8.076 0.374 1
2 46 . 11 1 1 A 7 7 GLU HA H 7 4.440 4.605 -0.165 1
2 49 . 11 1 1 A 7 7 GLU C C 7 176.000 175.833 0.167 1
2 50 . 11 1 1 A 7 7 GLU CA C 7 56.500 55.791 0.709 1
2 51 . 11 1 1 A 7 7 GLU CB C 7 30.700 31.512 -0.812 1
2 52 . 11 1 1 A 7 7 GLU N N 7 122.400 119.037 3.363 1
2 53 . 11 1 1 A 8 8 VAL H H 8 8.490 8.667 -0.177 1
2 54 . 11 1 1 A 8 8 VAL HA H 8 4.210 4.866 -0.656 1
2 56 . 11 1 1 A 8 8 VAL C C 8 175.900 175.257 0.643 1
2 57 . 11 1 1 A 8 8 VAL CA C 8 62.200 60.785 1.415 1
2 58 . 11 1 1 A 8 8 VAL CB C 8 33.300 35.658 -2.358 1
2 59 . 11 1 1 A 8 8 VAL N N 8 123.400 122.179 1.221 1
2 60 . 11 1 1 A 9 9 VAL H H 9 8.360 8.851 -0.491 1
2 61 . 11 1 1 A 9 9 VAL HA H 9 4.430 5.076 -0.646 1
2 63 . 11 1 1 A 9 9 VAL C C 9 176.300 174.808 1.492 1
2 64 . 11 1 1 A 9 9 VAL CA C 9 61.700 59.284 2.416 1
2 65 . 11 1 1 A 9 9 VAL CB C 9 33.000 34.581 -1.581 1
2 66 . 11 1 1 A 9 9 VAL N N 9 126.800 120.926 5.874 1
2 67 . 11 1 1 A 10 10 VAL H H 10 8.900 9.232 -0.332 1
2 68 . 11 1 1 A 10 10 VAL HA H 10 4.980 5.308 -0.328 1
2 70 . 11 1 1 A 10 10 VAL C C 10 173.400 173.602 -0.202 1
2 71 . 11 1 1 A 10 10 VAL CA C 10 58.300 59.243 -0.943 1
2 72 . 11 1 1 A 10 10 VAL CB C 10 35.100 35.801 -0.701 1
2 73 . 11 1 1 A 10 10 VAL N N 10 119.700 120.388 -0.688 1
2 74 . 11 1 1 A 11 11 VAL H H 11 8.550 8.815 -0.265 1
2 75 . 11 1 1 A 11 11 VAL HA H 11 5.000 4.827 0.173 1
2 77 . 11 1 1 A 11 11 VAL C C 11 176.700 174.869 1.831 1
2 78 . 11 1 1 A 11 11 VAL CA C 11 59.600 59.801 -0.201 1
2 79 . 11 1 1 A 11 11 VAL CB C 11 35.100 34.155 0.945 1
2 80 . 11 1 1 A 11 11 VAL N N 11 118.700 123.222 -4.522 1
2 81 . 11 1 1 A 12 12 ALA H H 12 8.770 8.786 -0.016 1
2 82 . 11 1 1 A 12 12 ALA HA H 12 4.580 4.665 -0.085 1
2 86 . 11 1 1 A 12 12 ALA C C 12 178.600 177.044 1.556 1
2 87 . 11 1 1 A 12 12 ALA CA C 12 52.800 52.615 0.185 1
2 88 . 11 1 1 A 12 12 ALA CB C 12 19.900 19.195 0.705 1
2 89 . 11 1 1 A 12 12 ALA N N 12 128.500 130.573 -2.073 1
2 90 . 11 1 1 A 13 13 LYS H H 13 9.370 9.332 0.038 1
2 91 . 11 1 1 A 13 13 LYS HA H 13 3.850 4.205 -0.355 1
2 94 . 11 1 1 A 13 13 LYS C C 13 174.700 176.381 -1.681 1
2 95 . 11 1 1 A 13 13 LYS CA C 13 57.300 56.954 0.346 1
2 96 . 11 1 1 A 13 13 LYS CB C 13 33.800 33.456 0.344 1
2 97 . 11 1 1 A 13 13 LYS N N 13 126.700 121.955 4.745 1
2 98 . 11 1 1 A 14 14 PHE H H 14 7.140 7.909 -0.769 1
2 99 . 11 1 1 A 14 14 PHE HA H 14 4.800 5.124 -0.324 1
2 102 . 11 1 1 A 14 14 PHE C C 14 173.600 175.034 -1.434 1
2 103 . 11 1 1 A 14 14 PHE CA C 14 53.700 56.726 -3.026 1
2 104 . 11 1 1 A 14 14 PHE CB C 14 43.700 42.810 0.890 1
2 105 . 11 1 1 A 14 14 PHE N N 14 111.600 115.723 -4.123 1
2 106 . 11 1 1 A 15 15 ASP H H 15 8.360 8.878 -0.518 1
2 107 . 11 1 1 A 15 15 ASP HA H 15 4.790 5.420 -0.630 1
2 110 . 11 1 1 A 15 15 ASP C C 15 176.400 174.889 1.511 1
2 111 . 11 1 1 A 15 15 ASP CA C 15 54.700 53.247 1.453 1
2 112 . 11 1 1 A 15 15 ASP CB C 15 41.600 42.597 -0.997 1
2 113 . 11 1 1 A 15 15 ASP N N 15 117.400 120.228 -2.828 1
2 114 . 11 1 1 A 16 16 TYR H H 16 8.860 8.989 -0.129 1
2 115 . 11 1 1 A 16 16 TYR HA H 16 4.750 5.368 -0.618 1
2 118 . 11 1 1 A 16 16 TYR C C 16 173.700 173.624 0.076 1
2 119 . 11 1 1 A 16 16 TYR CA C 16 59.500 56.978 2.522 1
2 120 . 11 1 1 A 16 16 TYR CB C 16 41.500 42.499 -0.999 1
2 121 . 11 1 1 A 16 16 TYR N N 16 121.000 124.498 -3.498 1
2 122 . 11 1 1 A 17 17 VAL H H 17 7.180 8.385 -1.205 1
2 123 . 11 1 1 A 17 17 VAL HA H 17 4.150 4.310 -0.160 1
2 125 . 11 1 1 A 17 17 VAL C C 17 174.500 175.085 -0.585 1
2 126 . 11 1 1 A 17 17 VAL CA C 17 60.600 60.622 -0.022 1
2 127 . 11 1 1 A 17 17 VAL CB C 17 32.300 33.322 -1.022 1
2 128 . 11 1 1 A 17 17 VAL N N 17 129.100 123.822 5.278 1
2 129 . 11 1 1 A 18 18 ALA H H 18 8.640 8.440 0.200 1
2 130 . 11 1 1 A 18 18 ALA HA H 18 4.230 4.399 -0.169 1
2 134 . 11 1 1 A 18 18 ALA C C 18 179.100 177.494 1.606 1
2 135 . 11 1 1 A 18 18 ALA CA C 18 53.300 51.203 2.097 1
2 136 . 11 1 1 A 18 18 ALA CB C 18 19.900 17.692 2.208 1
2 137 . 11 1 1 A 18 18 ALA N N 18 128.900 131.562 -2.662 1
2 138 . 11 1 1 A 19 19 GLN H H 19 9.080 8.319 0.761 1
2 139 . 11 1 1 A 19 19 GLN HA H 19 4.320 3.946 0.374 1
2 144 . 11 1 1 A 19 19 GLN C C 19 175.500 177.180 -1.680 1
2 145 . 11 1 1 A 19 19 GLN CA C 19 55.100 59.905 -4.805 1
2 146 . 11 1 1 A 19 19 GLN CB C 19 31.200 28.739 2.461 1
2 148 . 11 1 1 A 19 19 GLN N N 19 120.400 124.035 -3.635 1
2 150 . 11 1 1 A 20 20 GLN H H 20 7.220 7.938 -0.718 1
2 151 . 11 1 1 A 20 20 GLN HA H 20 4.590 4.359 0.231 1
2 156 . 11 1 1 A 20 20 GLN C C 20 176.800 177.113 -0.313 1
2 157 . 11 1 1 A 20 20 GLN CA C 20 53.900 55.487 -1.587 1
2 158 . 11 1 1 A 20 20 GLN CB C 20 32.400 29.393 3.007 1
2 159 . 11 1 1 A 20 20 GLN N N 20 114.500 117.595 -3.095 1
2 161 . 11 1 1 A 21 21 GLU H H 21 8.980 8.883 0.097 1
2 162 . 11 1 1 A 21 21 GLU HA H 21 4.090 4.092 -0.002 1
2 164 . 11 1 1 A 21 21 GLU C C 21 176.900 179.149 -2.249 1
2 165 . 11 1 1 A 21 21 GLU CA C 21 59.500 58.983 0.517 1
2 166 . 11 1 1 A 21 21 GLU CB C 21 29.700 29.167 0.533 1
2 167 . 11 1 1 A 21 21 GLU N N 21 121.600 122.442 -0.842 1
2 168 . 11 1 1 A 22 22 GLN H H 22 8.470 8.011 0.459 1
2 169 . 11 1 1 A 22 22 GLN HA H 22 4.540 4.013 0.527 1
2 174 . 11 1 1 A 22 22 GLN C C 22 176.700 176.684 0.016 1
2 175 . 11 1 1 A 22 22 GLN CA C 22 56.700 59.156 -2.456 1
2 176 . 11 1 1 A 22 22 GLN CB C 22 28.000 28.706 -0.706 1
2 178 . 11 1 1 A 22 22 GLN N N 22 113.600 119.450 -5.850 1
2 180 . 11 1 1 A 23 23 GLU H H 23 7.730 8.022 -0.292 1
2 181 . 11 1 1 A 23 23 GLU HA H 23 5.340 4.555 0.785 1
2 184 . 11 1 1 A 23 23 GLU C C 23 174.700 176.096 -1.396 1
2 185 . 11 1 1 A 23 23 GLU CA C 23 55.600 57.050 -1.450 1
2 186 . 11 1 1 A 23 23 GLU CB C 23 32.400 30.986 1.414 1
2 187 . 11 1 1 A 23 23 GLU N N 23 120.200 118.913 1.287 1
2 188 . 11 1 1 A 24 24 LEU H H 24 7.900 8.752 -0.852 1
2 189 . 11 1 1 A 24 24 LEU HA H 24 4.680 5.226 -0.546 1
2 192 . 11 1 1 A 24 24 LEU C C 24 174.300 176.064 -1.764 1
2 193 . 11 1 1 A 24 24 LEU CA C 24 53.200 53.567 -0.367 1
2 194 . 11 1 1 A 24 24 LEU CB C 24 46.500 45.447 1.053 1
2 195 . 11 1 1 A 24 24 LEU N N 24 122.400 122.519 -0.119 1
2 196 . 11 1 1 A 25 25 ASP H H 25 7.640 8.878 -1.238 1
2 197 . 11 1 1 A 25 25 ASP HA H 25 5.160 5.203 -0.043 1
2 200 . 11 1 1 A 25 25 ASP C C 25 176.800 176.399 0.401 1
2 201 . 11 1 1 A 25 25 ASP CA C 25 54.200 53.608 0.592 1
2 202 . 11 1 1 A 25 25 ASP CB C 25 42.300 41.591 0.709 1
2 203 . 11 1 1 A 25 25 ASP N N 25 121.400 123.176 -1.776 1
2 204 . 11 1 1 A 26 26 ILE H H 26 8.930 8.784 0.146 1
2 205 . 11 1 1 A 26 26 ILE HA H 26 5.120 5.266 -0.146 1
2 207 . 11 1 1 A 26 26 ILE C C 26 175.200 174.185 1.015 1
2 208 . 11 1 1 A 26 26 ILE CA C 26 59.700 58.901 0.799 1
2 209 . 11 1 1 A 26 26 ILE CB C 26 42.400 42.079 0.321 1
2 210 . 11 1 1 A 26 26 ILE N N 26 115.600 119.257 -3.657 1
2 211 . 11 1 1 A 27 27 LYS H H 27 8.930 8.757 0.173 1
2 212 . 11 1 1 A 27 27 LYS HA H 27 5.090 4.809 0.281 1
2 215 . 11 1 1 A 27 27 LYS C C 27 175.300 174.668 0.632 1
2 216 . 11 1 1 A 27 27 LYS CA C 27 52.900 55.135 -2.235 1
2 217 . 11 1 1 A 27 27 LYS CB C 27 35.400 36.550 -1.150 1
2 218 . 11 1 1 A 27 27 LYS N N 27 123.000 121.750 1.250 1
2 219 . 11 1 1 A 28 28 LYS H H 28 8.990 8.606 0.384 1
2 220 . 11 1 1 A 28 28 LYS HA H 28 3.110 3.920 -0.810 1
2 222 . 11 1 1 A 28 28 LYS C C 28 177.000 177.258 -0.258 1
2 223 . 11 1 1 A 28 28 LYS CA C 28 59.200 58.214 0.986 1
2 224 . 11 1 1 A 28 28 LYS CB C 28 32.600 32.128 0.472 1
2 225 . 11 1 1 A 28 28 LYS N N 28 121.200 126.595 -5.395 1
2 226 . 11 1 1 A 29 29 ASN H H 29 8.700 8.751 -0.051 1
2 227 . 11 1 1 A 29 29 ASN HA H 29 4.180 4.164 0.016 1
2 232 . 11 1 1 A 29 29 ASN C C 29 174.200 174.224 -0.024 1
2 233 . 11 1 1 A 29 29 ASN CA C 29 55.900 54.403 1.497 1
2 234 . 11 1 1 A 29 29 ASN CB C 29 37.400 37.140 0.260 1
2 235 . 11 1 1 A 29 29 ASN N N 29 118.300 120.250 -1.950 1
2 237 . 11 1 1 A 30 30 GLU H H 30 8.660 7.561 1.099 1
2 238 . 11 1 1 A 30 30 GLU HA H 30 4.160 4.839 -0.679 1
2 241 . 11 1 1 A 30 30 GLU C C 30 175.200 175.398 -0.198 1
2 242 . 11 1 1 A 30 30 GLU CA C 30 57.700 54.965 2.735 1
2 243 . 11 1 1 A 30 30 GLU CB C 30 31.800 32.345 -0.545 1
2 244 . 11 1 1 A 30 30 GLU N N 30 124.200 117.592 6.608 1
2 245 . 11 1 1 A 31 31 ARG H H 31 8.490 8.589 -0.099 1
2 246 . 11 1 1 A 31 31 ARG HA H 31 4.580 4.306 0.274 1
2 250 . 11 1 1 A 31 31 ARG C C 31 175.000 175.686 -0.686 1
2 251 . 11 1 1 A 31 31 ARG CA C 31 56.200 56.469 -0.269 1
2 252 . 11 1 1 A 31 31 ARG CB C 31 30.800 30.808 -0.008 1
2 253 . 11 1 1 A 31 31 ARG N N 31 125.000 127.145 -2.145 1
2 255 . 11 1 1 A 32 32 LEU H H 32 8.860 8.761 0.099 1
2 256 . 11 1 1 A 32 32 LEU HA H 32 4.840 4.551 0.289 1
2 259 . 11 1 1 A 32 32 LEU C C 32 174.400 175.425 -1.025 1
2 260 . 11 1 1 A 32 32 LEU CA C 32 53.300 53.351 -0.051 1
2 261 . 11 1 1 A 32 32 LEU CB C 32 46.300 46.493 -0.193 1
2 262 . 11 1 1 A 32 32 LEU N N 32 125.600 121.432 4.168 1
2 263 . 11 1 1 A 33 33 TRP H H 33 9.160 8.744 0.416 1
2 264 . 11 1 1 A 33 33 TRP HA H 33 5.100 5.367 -0.267 1
2 268 . 11 1 1 A 33 33 TRP C C 33 176.000 175.804 0.196 1
2 269 . 11 1 1 A 33 33 TRP CA C 33 58.300 56.223 2.077 1
2 270 . 11 1 1 A 33 33 TRP CB C 33 31.000 30.984 0.016 1
2 271 . 11 1 1 A 33 33 TRP N N 33 121.000 122.333 -1.333 1
2 273 . 11 1 1 A 34 34 LEU H H 34 9.130 9.057 0.073 1
2 274 . 11 1 1 A 34 34 LEU HA H 34 4.330 4.474 -0.144 1
2 277 . 11 1 1 A 34 34 LEU C C 34 175.400 176.022 -0.622 1
2 278 . 11 1 1 A 34 34 LEU CA C 34 55.600 55.490 0.110 1
2 279 . 11 1 1 A 34 34 LEU CB C 34 43.700 42.614 1.086 1
2 280 . 11 1 1 A 34 34 LEU N N 34 125.100 126.569 -1.469 1
2 281 . 11 1 1 A 35 35 LEU H H 35 9.020 9.020 0.000 1
2 282 . 11 1 1 A 35 35 LEU HA H 35 4.620 4.360 0.260 1
2 285 . 11 1 1 A 35 35 LEU C C 35 177.400 176.328 1.072 1
2 286 . 11 1 1 A 35 35 LEU CA C 35 55.400 56.075 -0.675 1
2 287 . 11 1 1 A 35 35 LEU CB C 35 42.600 42.733 -0.133 1
2 288 . 11 1 1 A 35 35 LEU N N 35 126.300 127.537 -1.237 1
2 289 . 11 1 1 A 36 36 ASP H H 36 7.460 7.960 -0.500 1
2 290 . 11 1 1 A 36 36 ASP HA H 36 4.760 4.887 -0.127 1
2 293 . 11 1 1 A 36 36 ASP C C 36 175.000 175.139 -0.139 1
2 294 . 11 1 1 A 36 36 ASP CA C 36 55.200 52.816 2.384 1
2 295 . 11 1 1 A 36 36 ASP CB C 36 43.400 42.814 0.586 1
2 296 . 11 1 1 A 36 36 ASP N N 36 115.400 117.216 -1.816 1
2 297 . 11 1 1 A 37 37 ASP H H 37 8.330 8.420 -0.090 1
2 298 . 11 1 1 A 37 37 ASP HA H 37 3.940 4.650 -0.710 1
2 301 . 11 1 1 A 37 37 ASP C C 37 176.400 176.626 -0.226 1
2 302 . 11 1 1 A 37 37 ASP CA C 37 52.200 52.430 -0.230 1
2 303 . 11 1 1 A 37 37 ASP CB C 37 39.900 39.574 0.326 1
2 304 . 11 1 1 A 37 37 ASP N N 37 128.400 124.024 4.376 1
2 305 . 11 1 1 A 38 38 SER H H 38 8.470 8.150 0.320 1
2 306 . 11 1 1 A 38 38 SER HA H 38 4.210 4.605 -0.395 1
2 309 . 11 1 1 A 38 38 SER C C 38 175.300 174.535 0.765 1
2 310 . 11 1 1 A 38 38 SER CA C 38 61.600 59.934 1.666 1
2 311 . 11 1 1 A 38 38 SER CB C 38 64.100 64.299 -0.199 1
2 312 . 11 1 1 A 38 38 SER N N 38 115.700 114.593 1.107 1
2 313 . 11 1 1 A 39 39 LYS H H 39 8.440 7.638 0.802 1
2 314 . 11 1 1 A 39 39 LYS HA H 39 4.910 4.456 0.454 1
2 317 . 11 1 1 A 39 39 LYS C C 39 175.900 177.977 -2.077 1
2 318 . 11 1 1 A 39 39 LYS CA C 39 55.000 56.068 -1.068 1
2 319 . 11 1 1 A 39 39 LYS CB C 39 34.300 33.249 1.051 1
2 320 . 11 1 1 A 39 39 LYS N N 39 122.300 120.277 2.023 1
2 321 . 11 1 1 A 40 40 SER H H 40 8.360 8.749 -0.389 1
2 322 . 11 1 1 A 40 40 SER HA H 40 4.310 4.188 0.122 1
2 325 . 11 1 1 A 40 40 SER C C 40 175.200 175.416 -0.216 1
2 326 . 11 1 1 A 40 40 SER CA C 40 60.900 62.489 -1.589 1
2 327 . 11 1 1 A 40 40 SER CB C 40 63.100 63.052 0.048 1
2 328 . 11 1 1 A 40 40 SER N N 40 112.600 115.683 -3.083 1
2 329 . 11 1 1 A 41 41 TRP H H 41 7.440 8.173 -0.733 1
2 330 . 11 1 1 A 41 41 TRP HA H 41 4.840 5.030 -0.190 1
2 334 . 11 1 1 A 41 41 TRP C C 41 175.500 176.588 -1.088 1
2 335 . 11 1 1 A 41 41 TRP CA C 41 56.800 56.199 0.601 1
2 336 . 11 1 1 A 41 41 TRP CB C 41 29.600 30.106 -0.506 1
2 337 . 11 1 1 A 41 41 TRP N N 41 121.300 118.701 2.599 1
2 339 . 11 1 1 A 42 42 TRP H H 42 9.350 9.014 0.336 1
2 340 . 11 1 1 A 42 42 TRP HA H 42 5.440 5.153 0.287 1
2 344 . 11 1 1 A 42 42 TRP C C 42 175.000 176.238 -1.238 1
2 345 . 11 1 1 A 42 42 TRP CA C 42 54.300 57.301 -3.001 1
2 346 . 11 1 1 A 42 42 TRP CB C 42 30.800 29.703 1.097 1
2 347 . 11 1 1 A 42 42 TRP N N 42 125.400 124.936 0.464 1
2 349 . 11 1 1 A 43 43 ARG H H 43 8.810 9.305 -0.495 1
2 350 . 11 1 1 A 43 43 ARG HA H 43 4.530 4.495 0.035 1
2 354 . 11 1 1 A 43 43 ARG C C 43 175.600 176.146 -0.546 1
2 355 . 11 1 1 A 43 43 ARG CA C 43 55.400 56.090 -0.690 1
2 356 . 11 1 1 A 43 43 ARG CB C 43 32.200 30.561 1.639 1
2 357 . 11 1 1 A 43 43 ARG N N 43 124.200 125.963 -1.763 1
2 359 . 11 1 1 A 44 44 VAL H H 44 9.210 8.691 0.519 1
2 360 . 11 1 1 A 44 44 VAL HA H 44 5.510 5.227 0.283 1
2 362 . 11 1 1 A 44 44 VAL C C 44 172.800 173.627 -0.827 1
2 363 . 11 1 1 A 44 44 VAL CA C 44 58.800 58.709 0.091 1
2 364 . 11 1 1 A 44 44 VAL CB C 44 36.600 36.199 0.401 1
2 365 . 11 1 1 A 44 44 VAL N N 44 121.400 119.201 2.199 1
2 366 . 11 1 1 A 45 45 ARG H H 45 9.260 9.190 0.070 1
2 367 . 11 1 1 A 45 45 ARG HA H 45 5.510 5.336 0.174 1
2 371 . 11 1 1 A 45 45 ARG C C 45 175.700 173.897 1.803 1
2 372 . 11 1 1 A 45 45 ARG CA C 45 53.700 53.970 -0.270 1
2 373 . 11 1 1 A 45 45 ARG CB C 45 35.400 34.045 1.355 1
2 374 . 11 1 1 A 45 45 ARG N N 45 120.000 121.600 -1.600 1
2 376 . 11 1 1 A 46 46 ASN H H 46 8.820 9.038 -0.218 1
2 377 . 11 1 1 A 46 46 ASN HA H 46 5.470 5.352 0.118 1
2 382 . 11 1 1 A 46 46 ASN C C 46 178.500 176.947 1.553 1
2 383 . 11 1 1 A 46 46 ASN CA C 46 50.600 51.578 -0.978 1
2 384 . 11 1 1 A 46 46 ASN CB C 46 41.000 41.520 -0.520 1
2 385 . 11 1 1 A 46 46 ASN N N 46 123.300 124.009 -0.709 1
2 387 . 11 1 1 A 47 47 SER H H 47 9.730 9.049 0.681 1
2 388 . 11 1 1 A 47 47 SER HA H 47 4.320 4.468 -0.148 1
2 391 . 11 1 1 A 47 47 SER C C 47 175.200 175.679 -0.479 1
2 392 . 11 1 1 A 47 47 SER CA C 47 61.500 61.752 -0.252 1
2 393 . 11 1 1 A 47 47 SER CB C 47 63.100 62.837 0.263 1
2 394 . 11 1 1 A 47 47 SER N N 47 115.000 119.394 -4.394 1
2 395 . 11 1 1 A 48 48 MET H H 48 7.650 8.036 -0.386 1
2 396 . 11 1 1 A 48 48 MET HA H 48 4.730 4.573 0.157 1
2 399 . 11 1 1 A 48 48 MET C C 48 175.800 176.206 -0.406 1
2 400 . 11 1 1 A 48 48 MET CA C 48 54.500 55.791 -1.291 1
2 401 . 11 1 1 A 48 48 MET CB C 48 31.600 33.247 -1.647 1
2 402 . 11 1 1 A 48 48 MET N N 48 120.300 119.270 1.030 1
2 403 . 11 1 1 A 49 49 ASN H H 49 8.430 8.297 0.133 1
2 404 . 11 1 1 A 49 49 ASN HA H 49 4.210 4.516 -0.306 1
2 409 . 11 1 1 A 49 49 ASN C C 49 174.200 174.332 -0.132 1
2 410 . 11 1 1 A 49 49 ASN CA C 49 54.900 54.404 0.496 1
2 411 . 11 1 1 A 49 49 ASN CB C 49 37.100 36.549 0.551 1
2 412 . 11 1 1 A 49 49 ASN N N 49 113.400 117.006 -3.606 1
2 414 . 11 1 1 A 50 50 LYS H H 50 8.090 7.812 0.278 1
2 415 . 11 1 1 A 50 50 LYS HA H 50 4.560 4.286 0.274 1
2 418 . 11 1 1 A 50 50 LYS C C 50 175.500 175.334 0.166 1
2 419 . 11 1 1 A 50 50 LYS CA C 50 55.600 56.613 -1.013 1
2 420 . 11 1 1 A 50 50 LYS CB C 50 33.300 33.706 -0.406 1
2 421 . 11 1 1 A 50 50 LYS N N 50 121.000 120.893 0.107 1
2 422 . 11 1 1 A 51 51 THR H H 51 8.310 8.708 -0.398 1
2 423 . 11 1 1 A 51 51 THR HA H 51 5.730 5.232 0.498 1
2 425 . 11 1 1 A 51 51 THR C C 51 174.600 174.163 0.437 1
2 426 . 11 1 1 A 51 51 THR CA C 51 59.300 60.245 -0.945 1
2 427 . 11 1 1 A 51 51 THR CB C 51 71.900 72.302 -0.402 1
2 428 . 11 1 1 A 51 51 THR N N 51 113.800 115.818 -2.018 1
2 429 . 11 1 1 A 52 52 GLY H H 52 8.630 8.080 0.550 1
2 430 . 11 1 1 A 52 52 GLY HA2 H 52 4.090 4.197 -0.107 1
2 431 . 11 1 1 A 52 52 GLY HA3 H 52 3.920 4.254 -0.334 1
2 432 . 11 1 1 A 52 52 GLY C C 52 170.500 171.735 -1.235 1
2 433 . 11 1 1 A 52 52 GLY CA C 52 45.600 45.482 0.118 1
2 434 . 11 1 1 A 52 52 GLY N N 52 107.900 111.715 -3.815 1
2 435 . 11 1 1 A 53 53 PHE H H 53 9.030 8.847 0.183 1
2 436 . 11 1 1 A 53 53 PHE HA H 53 5.850 5.057 0.793 1
2 439 . 11 1 1 A 53 53 PHE C C 53 176.400 175.966 0.434 1
2 440 . 11 1 1 A 53 53 PHE CA C 53 58.000 58.381 -0.381 1
2 441 . 11 1 1 A 53 53 PHE CB C 53 42.800 40.357 2.443 1
2 442 . 11 1 1 A 53 53 PHE N N 53 118.200 119.801 -1.601 1
2 443 . 11 1 1 A 54 54 VAL H H 54 9.150 9.104 0.046 1
2 444 . 11 1 1 A 54 54 VAL HA H 54 4.790 5.050 -0.260 1
2 445 . 11 1 1 A 54 54 VAL CA C 54 57.600 58.323 -0.723 1
2 446 . 11 1 1 A 54 54 VAL CB C 54 33.300 34.716 -1.416 1
2 447 . 11 1 1 A 54 54 VAL N N 54 112.100 117.642 -5.542 1
2 448 . 11 1 1 A 57 57 ASN HA H 57 4.480 4.389 0.091 1
2 453 . 11 1 1 A 57 57 ASN C C 57 175.500 176.107 -0.607 1
2 454 . 11 1 1 A 57 57 ASN CA C 57 53.900 55.342 -1.442 1
2 455 . 11 1 1 A 57 57 ASN CB C 57 36.600 38.224 -1.624 1
2 457 . 11 1 1 A 58 58 TYR H H 58 7.950 8.132 -0.182 1
2 458 . 11 1 1 A 58 58 TYR HA H 58 4.460 4.692 -0.232 1
2 461 . 11 1 1 A 58 58 TYR C C 58 175.200 175.856 -0.656 1
2 462 . 11 1 1 A 58 58 TYR CA C 58 59.100 58.867 0.233 1
2 463 . 11 1 1 A 58 58 TYR CB C 58 38.100 40.184 -2.084 1
2 464 . 11 1 1 A 58 58 TYR N N 58 118.400 117.057 1.343 1
2 465 . 11 1 1 A 59 59 VAL H H 59 7.300 7.472 -0.172 1
2 466 . 11 1 1 A 59 59 VAL HA H 59 5.080 4.863 0.217 1
2 468 . 11 1 1 A 59 59 VAL C C 59 173.100 174.323 -1.223 1
2 469 . 11 1 1 A 59 59 VAL CA C 59 58.700 59.813 -1.113 1
2 470 . 11 1 1 A 59 59 VAL CB C 59 35.500 34.986 0.514 1
2 471 . 11 1 1 A 59 59 VAL N N 59 111.800 114.569 -2.769 1
2 472 . 11 1 1 A 60 60 GLU H H 60 8.680 8.807 -0.127 1
2 473 . 11 1 1 A 60 60 GLU HA H 60 4.790 4.753 0.037 1
2 476 . 11 1 1 A 60 60 GLU C C 60 175.600 174.644 0.956 1
2 477 . 11 1 1 A 60 60 GLU CA C 60 54.400 55.586 -1.186 1
2 478 . 11 1 1 A 60 60 GLU CB C 60 33.300 33.523 -0.223 1
2 479 . 11 1 1 A 60 60 GLU N N 60 118.900 120.760 -1.860 1
2 480 . 11 1 1 A 61 61 ARG H H 61 9.070 8.837 0.233 1
2 481 . 11 1 1 A 61 61 ARG HA H 61 4.540 4.362 0.178 1
2 485 . 11 1 1 A 61 61 ARG C C 61 175.900 176.626 -0.726 1
2 486 . 11 1 1 A 61 61 ARG CA C 61 56.500 56.454 0.046 1
2 487 . 11 1 1 A 61 61 ARG CB C 61 31.200 30.705 0.495 1
2 488 . 11 1 1 A 61 61 ARG N N 61 125.400 123.369 2.031 1
2 490 . 11 1 1 A 62 62 LYS H H 62 8.540 9.391 -0.851 1
2 491 . 11 1 1 A 62 62 LYS HA H 62 4.370 3.808 0.562 1
2 494 . 11 1 1 A 62 62 LYS C C 62 176.000 176.454 -0.454 1
2 495 . 11 1 1 A 62 62 LYS CA C 62 55.900 60.178 -4.278 1
2 496 . 11 1 1 A 62 62 LYS CB C 62 33.200 32.148 1.052 1
2 497 . 11 1 1 A 62 62 LYS N N 62 124.400 121.680 2.720 1
2 498 . 11 1 1 A 63 63 ASN H H 63 8.650 8.123 0.527 1
2 499 . 11 1 1 A 63 63 ASN HA H 63 4.740 4.359 0.381 1
2 504 . 11 1 1 A 63 63 ASN C C 63 175.300 174.481 0.819 1
2 505 . 11 1 1 A 63 63 ASN CA C 63 53.300 53.883 -0.583 1
2 506 . 11 1 1 A 63 63 ASN CB C 63 39.000 37.040 1.960 1
2 507 . 11 1 1 A 63 63 ASN N N 63 121.200 117.801 3.399 1
2 509 . 11 1 1 A 64 64 SER H H 64 8.370 7.738 0.632 1
2 510 . 11 1 1 A 64 64 SER HA H 64 4.420 4.529 -0.109 1
2 513 . 11 1 1 A 64 64 SER C C 64 174.300 173.788 0.512 1
2 514 . 11 1 1 A 64 64 SER CA C 64 58.400 58.919 -0.519 1
2 515 . 11 1 1 A 64 64 SER CB C 64 63.900 64.037 -0.137 1
2 516 . 11 1 1 A 64 64 SER N N 64 116.900 114.745 2.155 1
2 517 . 11 1 1 A 65 65 ALA H H 65 8.370 8.322 0.048 1
2 518 . 11 1 1 A 65 65 ALA HA H 65 4.330 4.392 -0.062 1
2 522 . 11 1 1 A 65 65 ALA C C 65 177.800 176.569 1.231 1
2 523 . 11 1 1 A 65 65 ALA CA C 65 52.700 52.157 0.543 1
2 524 . 11 1 1 A 65 65 ALA CB C 65 19.300 18.510 0.790 1
2 525 . 11 1 1 A 65 65 ALA N N 65 126.000 125.666 0.334 1
2 526 . 11 1 1 A 66 66 ARG H H 66 8.230 8.171 0.059 1
2 527 . 11 1 1 A 66 66 ARG HA H 66 4.300 4.856 -0.556 1
2 531 . 11 1 1 A 66 66 ARG C C 66 176.100 176.199 -0.099 1
2 532 . 11 1 1 A 66 66 ARG CA C 66 56.000 54.005 1.995 1
2 533 . 11 1 1 A 66 66 ARG CB C 66 30.800 33.345 -2.545 1
2 534 . 11 1 1 A 66 66 ARG N N 66 120.400 123.905 -3.505 1
2 536 . 11 1 1 A 67 67 ALA H H 67 8.290 9.067 -0.777 1
2 537 . 11 1 1 A 67 67 ALA HA H 67 4.290 4.089 0.201 1
2 541 . 11 1 1 A 67 67 ALA C C 67 177.600 177.620 -0.020 1
2 542 . 11 1 1 A 67 67 ALA CA C 67 52.500 54.639 -2.139 1
2 543 . 11 1 1 A 67 67 ALA CB C 67 19.200 18.494 0.706 1
2 544 . 11 1 1 A 67 67 ALA N N 67 125.700 125.445 0.255 1
2 545 . 11 1 1 A 68 68 ALA H H 68 8.270 7.687 0.583 1
2 546 . 11 1 1 A 68 68 ALA HA H 68 4.290 4.443 -0.153 1
2 550 . 11 1 1 A 68 68 ALA C C 68 178.600 176.768 1.832 1
2 551 . 11 1 1 A 68 68 ALA CA C 68 52.400 51.304 1.096 1
2 552 . 11 1 1 A 68 68 ALA CB C 68 19.200 18.568 0.632 1
2 553 . 11 1 1 A 68 68 ALA N N 68 123.100 118.844 4.256 1
2 554 . 11 1 1 A 69 69 ALA H H 69 8.260 7.316 0.944 1
2 555 . 11 1 1 A 69 69 ALA HA H 69 4.300 4.284 0.016 1
2 559 . 11 1 1 A 69 69 ALA C C 69 177.600 177.142 0.458 1
2 560 . 11 1 1 A 69 69 ALA CA C 69 52.500 52.823 -0.323 1
2 561 . 11 1 1 A 69 69 ALA CB C 69 19.200 19.275 -0.075 1
2 562 . 11 1 1 A 69 69 ALA N N 69 123.500 121.142 2.358 1
2 563 . 11 1 1 A 70 70 ASN H H 70 8.390 8.701 -0.311 1
2 564 . 11 1 1 A 70 70 ASN HA H 70 4.750 5.230 -0.480 1
2 567 . 11 1 1 A 70 70 ASN C C 70 175.200 174.447 0.753 1
2 568 . 11 1 1 A 70 70 ASN CA C 70 53.300 51.486 1.814 1
2 569 . 11 1 1 A 70 70 ASN CB C 70 39.000 42.291 -3.291 1
2 570 . 11 1 1 A 70 70 ASN N N 70 117.500 116.723 0.777 1
2 571 . 11 1 1 A 71 71 SER H H 71 8.240 9.257 -1.017 1
2 572 . 11 1 1 A 71 71 SER HA H 71 4.520 4.190 0.330 1
2 575 . 11 1 1 A 71 71 SER C C 71 173.700 173.615 0.085 1
2 576 . 11 1 1 A 71 71 SER CA C 71 58.400 59.402 -1.002 1
2 577 . 11 1 1 A 71 71 SER CB C 71 64.200 61.677 2.523 1
2 578 . 11 1 1 A 71 71 SER N N 71 116.200 115.304 0.896 1
2 5 . 12 1 1 A 2 2 SER H H 2 8.720 8.568 0.152 1
2 6 . 12 1 1 A 2 2 SER HA H 2 4.600 4.633 -0.033 1
2 9 . 12 1 1 A 2 2 SER C C 2 174.800 174.791 0.009 1
2 10 . 12 1 1 A 2 2 SER CA C 2 58.300 58.477 -0.177 1
2 11 . 12 1 1 A 2 2 SER CB C 2 64.000 65.218 -1.218 1
2 12 . 12 1 1 A 2 2 SER N N 2 115.900 111.856 4.044 1
2 13 . 12 1 1 A 3 3 THR H H 3 8.340 7.919 0.421 1
2 14 . 12 1 1 A 3 3 THR HA H 3 4.390 4.390 0.000 1
2 16 . 12 1 1 A 3 3 THR C C 3 174.600 173.920 0.680 1
2 17 . 12 1 1 A 3 3 THR CA C 3 62.000 63.254 -1.254 1
2 18 . 12 1 1 A 3 3 THR CB C 3 69.800 69.725 0.075 1
2 19 . 12 1 1 A 3 3 THR N N 3 116.100 117.714 -1.614 1
2 20 . 12 1 1 A 4 4 MET H H 4 8.430 8.772 -0.342 1
2 21 . 12 1 1 A 4 4 MET HA H 4 4.460 4.796 -0.336 1
2 24 . 12 1 1 A 4 4 MET C C 4 175.800 174.776 1.024 1
2 25 . 12 1 1 A 4 4 MET CA C 4 55.600 54.528 1.072 1
2 26 . 12 1 1 A 4 4 MET CB C 4 33.000 37.761 -4.761 1
2 27 . 12 1 1 A 4 4 MET N N 4 122.900 123.971 -1.071 1
2 28 . 12 1 1 A 5 5 ALA H H 5 8.330 8.574 -0.244 1
2 29 . 12 1 1 A 5 5 ALA HA H 5 4.310 4.316 -0.006 1
2 33 . 12 1 1 A 5 5 ALA C C 5 177.500 177.195 0.305 1
2 34 . 12 1 1 A 5 5 ALA CA C 5 52.600 51.796 0.804 1
2 35 . 12 1 1 A 5 5 ALA CB C 5 19.200 20.139 -0.939 1
2 36 . 12 1 1 A 5 5 ALA N N 5 125.600 123.517 2.083 1
2 37 . 12 1 1 A 6 6 GLU H H 6 8.220 8.189 0.031 1
2 38 . 12 1 1 A 6 6 GLU HA H 6 4.310 4.279 0.031 1
2 41 . 12 1 1 A 6 6 GLU C C 6 176.200 175.817 0.383 1
2 42 . 12 1 1 A 6 6 GLU CA C 6 56.100 57.225 -1.125 1
2 43 . 12 1 1 A 6 6 GLU CB C 6 30.600 29.932 0.668 1
2 44 . 12 1 1 A 6 6 GLU N N 6 119.900 119.230 0.670 1
2 45 . 12 1 1 A 7 7 GLU H H 7 8.450 8.951 -0.501 1
2 46 . 12 1 1 A 7 7 GLU HA H 7 4.440 5.009 -0.569 1
2 49 . 12 1 1 A 7 7 GLU C C 7 176.000 174.790 1.210 1
2 50 . 12 1 1 A 7 7 GLU CA C 7 56.500 54.916 1.584 1
2 51 . 12 1 1 A 7 7 GLU CB C 7 30.700 33.462 -2.762 1
2 52 . 12 1 1 A 7 7 GLU N N 7 122.400 127.439 -5.039 1
2 53 . 12 1 1 A 8 8 VAL H H 8 8.490 8.515 -0.025 1
2 54 . 12 1 1 A 8 8 VAL HA H 8 4.210 4.941 -0.731 1
2 56 . 12 1 1 A 8 8 VAL C C 8 175.900 175.410 0.490 1
2 57 . 12 1 1 A 8 8 VAL CA C 8 62.200 61.145 1.055 1
2 58 . 12 1 1 A 8 8 VAL CB C 8 33.300 35.019 -1.719 1
2 59 . 12 1 1 A 8 8 VAL N N 8 123.400 122.157 1.243 1
2 60 . 12 1 1 A 9 9 VAL H H 9 8.360 8.962 -0.602 1
2 61 . 12 1 1 A 9 9 VAL HA H 9 4.430 4.964 -0.534 1
2 63 . 12 1 1 A 9 9 VAL C C 9 176.300 174.685 1.615 1
2 64 . 12 1 1 A 9 9 VAL CA C 9 61.700 59.211 2.489 1
2 65 . 12 1 1 A 9 9 VAL CB C 9 33.000 34.648 -1.648 1
2 66 . 12 1 1 A 9 9 VAL N N 9 126.800 121.112 5.688 1
2 67 . 12 1 1 A 10 10 VAL H H 10 8.900 8.985 -0.085 1
2 68 . 12 1 1 A 10 10 VAL HA H 10 4.980 5.374 -0.394 1
2 70 . 12 1 1 A 10 10 VAL C C 10 173.400 173.596 -0.196 1
2 71 . 12 1 1 A 10 10 VAL CA C 10 58.300 59.652 -1.352 1
2 72 . 12 1 1 A 10 10 VAL CB C 10 35.100 36.007 -0.907 1
2 73 . 12 1 1 A 10 10 VAL N N 10 119.700 120.126 -0.426 1
2 74 . 12 1 1 A 11 11 VAL H H 11 8.550 8.768 -0.218 1
2 75 . 12 1 1 A 11 11 VAL HA H 11 5.000 5.069 -0.069 1
2 77 . 12 1 1 A 11 11 VAL C C 11 176.700 175.197 1.503 1
2 78 . 12 1 1 A 11 11 VAL CA C 11 59.600 59.789 -0.189 1
2 79 . 12 1 1 A 11 11 VAL CB C 11 35.100 34.035 1.065 1
2 80 . 12 1 1 A 11 11 VAL N N 11 118.700 124.317 -5.617 1
2 81 . 12 1 1 A 12 12 ALA H H 12 8.770 9.013 -0.243 1
2 82 . 12 1 1 A 12 12 ALA HA H 12 4.580 4.675 -0.095 1
2 86 . 12 1 1 A 12 12 ALA C C 12 178.600 178.884 -0.284 1
2 87 . 12 1 1 A 12 12 ALA CA C 12 52.800 52.913 -0.113 1
2 88 . 12 1 1 A 12 12 ALA CB C 12 19.900 19.104 0.796 1
2 89 . 12 1 1 A 12 12 ALA N N 12 128.500 130.785 -2.285 1
2 90 . 12 1 1 A 13 13 LYS H H 13 9.370 8.807 0.563 1
2 91 . 12 1 1 A 13 13 LYS HA H 13 3.850 4.245 -0.395 1
2 94 . 12 1 1 A 13 13 LYS C C 13 174.700 175.509 -0.809 1
2 95 . 12 1 1 A 13 13 LYS CA C 13 57.300 56.494 0.806 1
2 96 . 12 1 1 A 13 13 LYS CB C 13 33.800 33.070 0.730 1
2 97 . 12 1 1 A 13 13 LYS N N 13 126.700 119.531 7.169 1
2 98 . 12 1 1 A 14 14 PHE H H 14 7.140 7.580 -0.440 1
2 99 . 12 1 1 A 14 14 PHE HA H 14 4.800 5.021 -0.221 1
2 102 . 12 1 1 A 14 14 PHE C C 14 173.600 174.112 -0.512 1
2 103 . 12 1 1 A 14 14 PHE CA C 14 53.700 56.608 -2.908 1
2 104 . 12 1 1 A 14 14 PHE CB C 14 43.700 43.577 0.123 1
2 105 . 12 1 1 A 14 14 PHE N N 14 111.600 117.997 -6.397 1
2 106 . 12 1 1 A 15 15 ASP H H 15 8.360 9.195 -0.835 1
2 107 . 12 1 1 A 15 15 ASP HA H 15 4.790 5.832 -1.042 1
2 110 . 12 1 1 A 15 15 ASP C C 15 176.400 174.040 2.360 1
2 111 . 12 1 1 A 15 15 ASP CA C 15 54.700 52.563 2.137 1
2 112 . 12 1 1 A 15 15 ASP CB C 15 41.600 44.161 -2.561 1
2 113 . 12 1 1 A 15 15 ASP N N 15 117.400 118.509 -1.109 1
2 114 . 12 1 1 A 16 16 TYR H H 16 8.860 9.010 -0.150 1
2 115 . 12 1 1 A 16 16 TYR HA H 16 4.750 5.206 -0.456 1
2 118 . 12 1 1 A 16 16 TYR C C 16 173.700 173.547 0.153 1
2 119 . 12 1 1 A 16 16 TYR CA C 16 59.500 57.595 1.905 1
2 120 . 12 1 1 A 16 16 TYR CB C 16 41.500 42.188 -0.688 1
2 121 . 12 1 1 A 16 16 TYR N N 16 121.000 122.897 -1.897 1
2 122 . 12 1 1 A 17 17 VAL H H 17 7.180 8.323 -1.143 1
2 123 . 12 1 1 A 17 17 VAL HA H 17 4.150 4.251 -0.101 1
2 125 . 12 1 1 A 17 17 VAL C C 17 174.500 175.336 -0.836 1
2 126 . 12 1 1 A 17 17 VAL CA C 17 60.600 60.750 -0.150 1
2 127 . 12 1 1 A 17 17 VAL CB C 17 32.300 33.337 -1.037 1
2 128 . 12 1 1 A 17 17 VAL N N 17 129.100 123.881 5.219 1
2 129 . 12 1 1 A 18 18 ALA H H 18 8.640 8.181 0.459 1
2 130 . 12 1 1 A 18 18 ALA HA H 18 4.230 4.715 -0.485 1
2 134 . 12 1 1 A 18 18 ALA C C 18 179.100 177.527 1.573 1
2 135 . 12 1 1 A 18 18 ALA CA C 18 53.300 51.824 1.476 1
2 136 . 12 1 1 A 18 18 ALA CB C 18 19.900 18.653 1.247 1
2 137 . 12 1 1 A 18 18 ALA N N 18 128.900 131.353 -2.453 1
2 138 . 12 1 1 A 19 19 GLN H H 19 9.080 8.056 1.024 1
2 139 . 12 1 1 A 19 19 GLN HA H 19 4.320 3.954 0.366 1
2 144 . 12 1 1 A 19 19 GLN C C 19 175.500 177.026 -1.526 1
2 145 . 12 1 1 A 19 19 GLN CA C 19 55.100 59.518 -4.418 1
2 146 . 12 1 1 A 19 19 GLN CB C 19 31.200 28.750 2.450 1
2 148 . 12 1 1 A 19 19 GLN N N 19 120.400 125.012 -4.612 1
2 150 . 12 1 1 A 20 20 GLN H H 20 7.220 7.974 -0.754 1
2 151 . 12 1 1 A 20 20 GLN HA H 20 4.590 4.588 0.002 1
2 156 . 12 1 1 A 20 20 GLN C C 20 176.800 176.574 0.226 1
2 157 . 12 1 1 A 20 20 GLN CA C 20 53.900 55.021 -1.121 1
2 158 . 12 1 1 A 20 20 GLN CB C 20 32.400 30.555 1.845 1
2 159 . 12 1 1 A 20 20 GLN N N 20 114.500 118.065 -3.565 1
2 161 . 12 1 1 A 21 21 GLU H H 21 8.980 8.931 0.049 1
2 162 . 12 1 1 A 21 21 GLU HA H 21 4.090 4.075 0.015 1
2 164 . 12 1 1 A 21 21 GLU C C 21 176.900 178.927 -2.027 1
2 165 . 12 1 1 A 21 21 GLU CA C 21 59.500 58.718 0.782 1
2 166 . 12 1 1 A 21 21 GLU CB C 21 29.700 29.156 0.544 1
2 167 . 12 1 1 A 21 21 GLU N N 21 121.600 123.911 -2.311 1
2 168 . 12 1 1 A 22 22 GLN H H 22 8.470 8.036 0.434 1
2 169 . 12 1 1 A 22 22 GLN HA H 22 4.540 4.091 0.449 1
2 174 . 12 1 1 A 22 22 GLN C C 22 176.700 176.500 0.200 1
2 175 . 12 1 1 A 22 22 GLN CA C 22 56.700 58.846 -2.146 1
2 176 . 12 1 1 A 22 22 GLN CB C 22 28.000 28.382 -0.382 1
2 178 . 12 1 1 A 22 22 GLN N N 22 113.600 119.521 -5.921 1
2 180 . 12 1 1 A 23 23 GLU H H 23 7.730 7.965 -0.235 1
2 181 . 12 1 1 A 23 23 GLU HA H 23 5.340 4.598 0.742 1
2 184 . 12 1 1 A 23 23 GLU C C 23 174.700 175.598 -0.898 1
2 185 . 12 1 1 A 23 23 GLU CA C 23 55.600 56.737 -1.137 1
2 186 . 12 1 1 A 23 23 GLU CB C 23 32.400 30.928 1.472 1
2 187 . 12 1 1 A 23 23 GLU N N 23 120.200 118.881 1.319 1
2 188 . 12 1 1 A 24 24 LEU H H 24 7.900 8.769 -0.869 1
2 189 . 12 1 1 A 24 24 LEU HA H 24 4.680 5.201 -0.521 1
2 192 . 12 1 1 A 24 24 LEU C C 24 174.300 176.056 -1.756 1
2 193 . 12 1 1 A 24 24 LEU CA C 24 53.200 53.714 -0.514 1
2 194 . 12 1 1 A 24 24 LEU CB C 24 46.500 45.344 1.156 1
2 195 . 12 1 1 A 24 24 LEU N N 24 122.400 123.211 -0.811 1
2 196 . 12 1 1 A 25 25 ASP H H 25 7.640 8.865 -1.225 1
2 197 . 12 1 1 A 25 25 ASP HA H 25 5.160 4.867 0.293 1
2 200 . 12 1 1 A 25 25 ASP C C 25 176.800 176.639 0.161 1
2 201 . 12 1 1 A 25 25 ASP CA C 25 54.200 54.304 -0.104 1
2 202 . 12 1 1 A 25 25 ASP CB C 25 42.300 41.209 1.091 1
2 203 . 12 1 1 A 25 25 ASP N N 25 121.400 125.127 -3.727 1
2 204 . 12 1 1 A 26 26 ILE H H 26 8.930 8.862 0.068 1
2 205 . 12 1 1 A 26 26 ILE HA H 26 5.120 5.280 -0.160 1
2 207 . 12 1 1 A 26 26 ILE C C 26 175.200 174.323 0.877 1
2 208 . 12 1 1 A 26 26 ILE CA C 26 59.700 58.873 0.827 1
2 209 . 12 1 1 A 26 26 ILE CB C 26 42.400 42.068 0.332 1
2 210 . 12 1 1 A 26 26 ILE N N 26 115.600 119.279 -3.679 1
2 211 . 12 1 1 A 27 27 LYS H H 27 8.930 8.750 0.180 1
2 212 . 12 1 1 A 27 27 LYS HA H 27 5.090 4.817 0.273 1
2 215 . 12 1 1 A 27 27 LYS C C 27 175.300 174.629 0.671 1
2 216 . 12 1 1 A 27 27 LYS CA C 27 52.900 55.131 -2.231 1
2 217 . 12 1 1 A 27 27 LYS CB C 27 35.400 36.568 -1.168 1
2 218 . 12 1 1 A 27 27 LYS N N 27 123.000 121.582 1.418 1
2 219 . 12 1 1 A 28 28 LYS H H 28 8.990 8.620 0.370 1
2 220 . 12 1 1 A 28 28 LYS HA H 28 3.110 3.942 -0.832 1
2 222 . 12 1 1 A 28 28 LYS C C 28 177.000 177.288 -0.288 1
2 223 . 12 1 1 A 28 28 LYS CA C 28 59.200 58.268 0.932 1
2 224 . 12 1 1 A 28 28 LYS CB C 28 32.600 32.113 0.487 1
2 225 . 12 1 1 A 28 28 LYS N N 28 121.200 126.599 -5.399 1
2 226 . 12 1 1 A 29 29 ASN H H 29 8.700 8.786 -0.086 1
2 227 . 12 1 1 A 29 29 ASN HA H 29 4.180 4.195 -0.015 1
2 232 . 12 1 1 A 29 29 ASN C C 29 174.200 174.330 -0.130 1
2 233 . 12 1 1 A 29 29 ASN CA C 29 55.900 54.503 1.397 1
2 234 . 12 1 1 A 29 29 ASN CB C 29 37.400 37.325 0.075 1
2 235 . 12 1 1 A 29 29 ASN N N 29 118.300 120.863 -2.563 1
2 237 . 12 1 1 A 30 30 GLU H H 30 8.660 7.520 1.140 1
2 238 . 12 1 1 A 30 30 GLU HA H 30 4.160 4.823 -0.663 1
2 241 . 12 1 1 A 30 30 GLU C C 30 175.200 175.000 0.200 1
2 242 . 12 1 1 A 30 30 GLU CA C 30 57.700 55.172 2.528 1
2 243 . 12 1 1 A 30 30 GLU CB C 30 31.800 32.210 -0.410 1
2 244 . 12 1 1 A 30 30 GLU N N 30 124.200 117.698 6.502 1
2 245 . 12 1 1 A 31 31 ARG H H 31 8.490 8.604 -0.114 1
2 246 . 12 1 1 A 31 31 ARG HA H 31 4.580 4.609 -0.029 1
2 250 . 12 1 1 A 31 31 ARG C C 31 175.000 175.509 -0.509 1
2 251 . 12 1 1 A 31 31 ARG CA C 31 56.200 55.871 0.329 1
2 252 . 12 1 1 A 31 31 ARG CB C 31 30.800 30.556 0.244 1
2 253 . 12 1 1 A 31 31 ARG N N 31 125.000 126.551 -1.551 1
2 255 . 12 1 1 A 32 32 LEU H H 32 8.860 8.609 0.251 1
2 256 . 12 1 1 A 32 32 LEU HA H 32 4.840 4.525 0.315 1
2 259 . 12 1 1 A 32 32 LEU C C 32 174.400 175.300 -0.900 1
2 260 . 12 1 1 A 32 32 LEU CA C 32 53.300 53.406 -0.106 1
2 261 . 12 1 1 A 32 32 LEU CB C 32 46.300 45.879 0.421 1
2 262 . 12 1 1 A 32 32 LEU N N 32 125.600 124.060 1.540 1
2 263 . 12 1 1 A 33 33 TRP H H 33 9.160 8.600 0.560 1
2 264 . 12 1 1 A 33 33 TRP HA H 33 5.100 5.182 -0.082 1
2 268 . 12 1 1 A 33 33 TRP C C 33 176.000 175.796 0.204 1
2 269 . 12 1 1 A 33 33 TRP CA C 33 58.300 56.478 1.822 1
2 270 . 12 1 1 A 33 33 TRP CB C 33 31.000 30.423 0.577 1
2 271 . 12 1 1 A 33 33 TRP N N 33 121.000 124.096 -3.096 1
2 273 . 12 1 1 A 34 34 LEU H H 34 9.130 8.648 0.482 1
2 274 . 12 1 1 A 34 34 LEU HA H 34 4.330 4.399 -0.069 1
2 277 . 12 1 1 A 34 34 LEU C C 34 175.400 176.135 -0.735 1
2 278 . 12 1 1 A 34 34 LEU CA C 34 55.600 55.752 -0.152 1
2 279 . 12 1 1 A 34 34 LEU CB C 34 43.700 42.583 1.117 1
2 280 . 12 1 1 A 34 34 LEU N N 34 125.100 126.939 -1.839 1
2 281 . 12 1 1 A 35 35 LEU H H 35 9.020 8.962 0.058 1
2 282 . 12 1 1 A 35 35 LEU HA H 35 4.620 4.491 0.129 1
2 285 . 12 1 1 A 35 35 LEU C C 35 177.400 176.316 1.084 1
2 286 . 12 1 1 A 35 35 LEU CA C 35 55.400 55.818 -0.418 1
2 287 . 12 1 1 A 35 35 LEU CB C 35 42.600 43.678 -1.078 1
2 288 . 12 1 1 A 35 35 LEU N N 35 126.300 126.721 -0.421 1
2 289 . 12 1 1 A 36 36 ASP H H 36 7.460 7.620 -0.160 1
2 290 . 12 1 1 A 36 36 ASP HA H 36 4.760 4.943 -0.183 1
2 293 . 12 1 1 A 36 36 ASP C C 36 175.000 174.582 0.418 1
2 294 . 12 1 1 A 36 36 ASP CA C 36 55.200 53.864 1.336 1
2 295 . 12 1 1 A 36 36 ASP CB C 36 43.400 42.875 0.525 1
2 296 . 12 1 1 A 36 36 ASP N N 36 115.400 117.074 -1.674 1
2 297 . 12 1 1 A 37 37 ASP H H 37 8.330 8.459 -0.129 1
2 298 . 12 1 1 A 37 37 ASP HA H 37 3.940 4.285 -0.345 1
2 301 . 12 1 1 A 37 37 ASP C C 37 176.400 176.301 0.099 1
2 302 . 12 1 1 A 37 37 ASP CA C 37 52.200 52.224 -0.024 1
2 303 . 12 1 1 A 37 37 ASP CB C 37 39.900 39.421 0.479 1
2 304 . 12 1 1 A 37 37 ASP N N 37 128.400 123.592 4.808 1
2 305 . 12 1 1 A 38 38 SER H H 38 8.470 8.307 0.163 1
2 306 . 12 1 1 A 38 38 SER HA H 38 4.210 4.622 -0.412 1
2 309 . 12 1 1 A 38 38 SER C C 38 175.300 174.503 0.797 1
2 310 . 12 1 1 A 38 38 SER CA C 38 61.600 59.574 2.026 1
2 311 . 12 1 1 A 38 38 SER CB C 38 64.100 64.601 -0.501 1
2 312 . 12 1 1 A 38 38 SER N N 38 115.700 114.810 0.890 1
2 313 . 12 1 1 A 39 39 LYS H H 39 8.440 7.609 0.831 1
2 314 . 12 1 1 A 39 39 LYS HA H 39 4.910 4.459 0.451 1
2 317 . 12 1 1 A 39 39 LYS C C 39 175.900 177.810 -1.910 1
2 318 . 12 1 1 A 39 39 LYS CA C 39 55.000 56.159 -1.159 1
2 319 . 12 1 1 A 39 39 LYS CB C 39 34.300 33.314 0.986 1
2 320 . 12 1 1 A 39 39 LYS N N 39 122.300 120.560 1.740 1
2 321 . 12 1 1 A 40 40 SER H H 40 8.360 8.929 -0.569 1
2 322 . 12 1 1 A 40 40 SER HA H 40 4.310 4.229 0.081 1
2 325 . 12 1 1 A 40 40 SER C C 40 175.200 174.472 0.728 1
2 326 . 12 1 1 A 40 40 SER CA C 40 60.900 61.878 -0.978 1
2 327 . 12 1 1 A 40 40 SER CB C 40 63.100 63.414 -0.314 1
2 328 . 12 1 1 A 40 40 SER N N 40 112.600 117.952 -5.352 1
2 329 . 12 1 1 A 41 41 TRP H H 41 7.440 8.197 -0.757 1
2 330 . 12 1 1 A 41 41 TRP HA H 41 4.840 4.870 -0.030 1
2 334 . 12 1 1 A 41 41 TRP C C 41 175.500 176.397 -0.897 1
2 335 . 12 1 1 A 41 41 TRP CA C 41 56.800 56.489 0.311 1
2 336 . 12 1 1 A 41 41 TRP CB C 41 29.600 29.950 -0.350 1
2 337 . 12 1 1 A 41 41 TRP N N 41 121.300 118.577 2.723 1
2 339 . 12 1 1 A 42 42 TRP H H 42 9.350 9.077 0.273 1
2 340 . 12 1 1 A 42 42 TRP HA H 42 5.440 5.010 0.430 1
2 344 . 12 1 1 A 42 42 TRP C C 42 175.000 176.027 -1.027 1
2 345 . 12 1 1 A 42 42 TRP CA C 42 54.300 57.770 -3.470 1
2 346 . 12 1 1 A 42 42 TRP CB C 42 30.800 29.289 1.511 1
2 347 . 12 1 1 A 42 42 TRP N N 42 125.400 125.170 0.230 1
2 349 . 12 1 1 A 43 43 ARG H H 43 8.810 8.997 -0.187 1
2 350 . 12 1 1 A 43 43 ARG HA H 43 4.530 4.487 0.043 1
2 354 . 12 1 1 A 43 43 ARG C C 43 175.600 176.221 -0.621 1
2 355 . 12 1 1 A 43 43 ARG CA C 43 55.400 56.141 -0.741 1
2 356 . 12 1 1 A 43 43 ARG CB C 43 32.200 30.095 2.105 1
2 357 . 12 1 1 A 43 43 ARG N N 43 124.200 126.578 -2.378 1
2 359 . 12 1 1 A 44 44 VAL H H 44 9.210 8.520 0.690 1
2 360 . 12 1 1 A 44 44 VAL HA H 44 5.510 5.195 0.315 1
2 362 . 12 1 1 A 44 44 VAL C C 44 172.800 173.794 -0.994 1
2 363 . 12 1 1 A 44 44 VAL CA C 44 58.800 58.731 0.069 1
2 364 . 12 1 1 A 44 44 VAL CB C 44 36.600 35.669 0.931 1
2 365 . 12 1 1 A 44 44 VAL N N 44 121.400 119.970 1.430 1
2 366 . 12 1 1 A 45 45 ARG H H 45 9.260 9.394 -0.134 1
2 367 . 12 1 1 A 45 45 ARG HA H 45 5.510 5.281 0.229 1
2 371 . 12 1 1 A 45 45 ARG C C 45 175.700 174.545 1.155 1
2 372 . 12 1 1 A 45 45 ARG CA C 45 53.700 53.949 -0.249 1
2 373 . 12 1 1 A 45 45 ARG CB C 45 35.400 33.661 1.739 1
2 374 . 12 1 1 A 45 45 ARG N N 45 120.000 122.158 -2.158 1
2 376 . 12 1 1 A 46 46 ASN H H 46 8.820 9.008 -0.188 1
2 377 . 12 1 1 A 46 46 ASN HA H 46 5.470 5.418 0.052 1
2 382 . 12 1 1 A 46 46 ASN C C 46 178.500 176.913 1.587 1
2 383 . 12 1 1 A 46 46 ASN CA C 46 50.600 51.542 -0.942 1
2 384 . 12 1 1 A 46 46 ASN CB C 46 41.000 41.518 -0.518 1
2 385 . 12 1 1 A 46 46 ASN N N 46 123.300 124.180 -0.880 1
2 387 . 12 1 1 A 47 47 SER H H 47 9.730 9.090 0.640 1
2 388 . 12 1 1 A 47 47 SER HA H 47 4.320 4.438 -0.118 1
2 391 . 12 1 1 A 47 47 SER C C 47 175.200 175.774 -0.574 1
2 392 . 12 1 1 A 47 47 SER CA C 47 61.500 61.894 -0.394 1
2 393 . 12 1 1 A 47 47 SER CB C 47 63.100 62.735 0.365 1
2 394 . 12 1 1 A 47 47 SER N N 47 115.000 119.758 -4.758 1
2 395 . 12 1 1 A 48 48 MET H H 48 7.650 8.029 -0.379 1
2 396 . 12 1 1 A 48 48 MET HA H 48 4.730 4.583 0.147 1
2 399 . 12 1 1 A 48 48 MET C C 48 175.800 176.176 -0.376 1
2 400 . 12 1 1 A 48 48 MET CA C 48 54.500 55.814 -1.314 1
2 401 . 12 1 1 A 48 48 MET CB C 48 31.600 33.257 -1.657 1
2 402 . 12 1 1 A 48 48 MET N N 48 120.300 119.253 1.047 1
2 403 . 12 1 1 A 49 49 ASN H H 49 8.430 8.407 0.023 1
2 404 . 12 1 1 A 49 49 ASN HA H 49 4.210 4.448 -0.238 1
2 409 . 12 1 1 A 49 49 ASN C C 49 174.200 174.180 0.020 1
2 410 . 12 1 1 A 49 49 ASN CA C 49 54.900 54.346 0.554 1
2 411 . 12 1 1 A 49 49 ASN CB C 49 37.100 36.531 0.569 1
2 412 . 12 1 1 A 49 49 ASN N N 49 113.400 117.043 -3.643 1
2 414 . 12 1 1 A 50 50 LYS H H 50 8.090 7.883 0.207 1
2 415 . 12 1 1 A 50 50 LYS HA H 50 4.560 4.311 0.249 1
2 418 . 12 1 1 A 50 50 LYS C C 50 175.500 175.617 -0.117 1
2 419 . 12 1 1 A 50 50 LYS CA C 50 55.600 56.488 -0.888 1
2 420 . 12 1 1 A 50 50 LYS CB C 50 33.300 33.068 0.232 1
2 421 . 12 1 1 A 50 50 LYS N N 50 121.000 120.747 0.253 1
2 422 . 12 1 1 A 51 51 THR H H 51 8.310 8.720 -0.410 1
2 423 . 12 1 1 A 51 51 THR HA H 51 5.730 5.222 0.508 1
2 425 . 12 1 1 A 51 51 THR C C 51 174.600 173.889 0.711 1
2 426 . 12 1 1 A 51 51 THR CA C 51 59.300 60.337 -1.037 1
2 427 . 12 1 1 A 51 51 THR CB C 51 71.900 71.100 0.800 1
2 428 . 12 1 1 A 51 51 THR N N 51 113.800 117.443 -3.643 1
2 429 . 12 1 1 A 52 52 GLY H H 52 8.630 8.581 0.049 1
2 430 . 12 1 1 A 52 52 GLY HA2 H 52 4.090 4.348 -0.258 1
2 431 . 12 1 1 A 52 52 GLY HA3 H 52 3.920 4.406 -0.486 1
2 432 . 12 1 1 A 52 52 GLY C C 52 170.500 172.010 -1.510 1
2 433 . 12 1 1 A 52 52 GLY CA C 52 45.600 44.020 1.580 1
2 434 . 12 1 1 A 52 52 GLY N N 52 107.900 113.823 -5.923 1
2 435 . 12 1 1 A 53 53 PHE H H 53 9.030 8.450 0.580 1
2 436 . 12 1 1 A 53 53 PHE HA H 53 5.850 4.997 0.853 1
2 439 . 12 1 1 A 53 53 PHE C C 53 176.400 176.247 0.153 1
2 440 . 12 1 1 A 53 53 PHE CA C 53 58.000 58.539 -0.539 1
2 441 . 12 1 1 A 53 53 PHE CB C 53 42.800 40.228 2.572 1
2 442 . 12 1 1 A 53 53 PHE N N 53 118.200 119.760 -1.560 1
2 443 . 12 1 1 A 54 54 VAL H H 54 9.150 9.132 0.018 1
2 444 . 12 1 1 A 54 54 VAL HA H 54 4.790 5.188 -0.398 1
2 445 . 12 1 1 A 54 54 VAL CA C 54 57.600 58.285 -0.685 1
2 446 . 12 1 1 A 54 54 VAL CB C 54 33.300 34.553 -1.253 1
2 447 . 12 1 1 A 54 54 VAL N N 54 112.100 117.947 -5.847 1
2 448 . 12 1 1 A 57 57 ASN HA H 57 4.480 4.530 -0.050 1
2 453 . 12 1 1 A 57 57 ASN C C 57 175.500 176.107 -0.607 1
2 454 . 12 1 1 A 57 57 ASN CA C 57 53.900 54.270 -0.370 1
2 455 . 12 1 1 A 57 57 ASN CB C 57 36.600 39.094 -2.494 1
2 457 . 12 1 1 A 58 58 TYR H H 58 7.950 7.632 0.318 1
2 458 . 12 1 1 A 58 58 TYR HA H 58 4.460 4.705 -0.245 1
2 461 . 12 1 1 A 58 58 TYR C C 58 175.200 175.703 -0.503 1
2 462 . 12 1 1 A 58 58 TYR CA C 58 59.100 58.909 0.191 1
2 463 . 12 1 1 A 58 58 TYR CB C 58 38.100 39.580 -1.480 1
2 464 . 12 1 1 A 58 58 TYR N N 58 118.400 115.508 2.892 1
2 465 . 12 1 1 A 59 59 VAL H H 59 7.300 7.416 -0.116 1
2 466 . 12 1 1 A 59 59 VAL HA H 59 5.080 4.894 0.186 1
2 468 . 12 1 1 A 59 59 VAL C C 59 173.100 174.335 -1.235 1
2 469 . 12 1 1 A 59 59 VAL CA C 59 58.700 59.301 -0.601 1
2 470 . 12 1 1 A 59 59 VAL CB C 59 35.500 35.408 0.092 1
2 471 . 12 1 1 A 59 59 VAL N N 59 111.800 114.458 -2.658 1
2 472 . 12 1 1 A 60 60 GLU H H 60 8.680 8.707 -0.027 1
2 473 . 12 1 1 A 60 60 GLU HA H 60 4.790 4.728 0.062 1
2 476 . 12 1 1 A 60 60 GLU C C 60 175.600 174.572 1.028 1
2 477 . 12 1 1 A 60 60 GLU CA C 60 54.400 55.535 -1.135 1
2 478 . 12 1 1 A 60 60 GLU CB C 60 33.300 33.595 -0.295 1
2 479 . 12 1 1 A 60 60 GLU N N 60 118.900 120.638 -1.738 1
2 480 . 12 1 1 A 61 61 ARG H H 61 9.070 8.805 0.265 1
2 481 . 12 1 1 A 61 61 ARG HA H 61 4.540 4.603 -0.063 1
2 485 . 12 1 1 A 61 61 ARG C C 61 175.900 176.459 -0.559 1
2 486 . 12 1 1 A 61 61 ARG CA C 61 56.500 56.426 0.074 1
2 487 . 12 1 1 A 61 61 ARG CB C 61 31.200 30.660 0.540 1
2 488 . 12 1 1 A 61 61 ARG N N 61 125.400 123.263 2.137 1
2 490 . 12 1 1 A 62 62 LYS H H 62 8.540 9.484 -0.944 1
2 491 . 12 1 1 A 62 62 LYS HA H 62 4.370 3.819 0.551 1
2 494 . 12 1 1 A 62 62 LYS C C 62 176.000 177.709 -1.709 1
2 495 . 12 1 1 A 62 62 LYS CA C 62 55.900 59.838 -3.938 1
2 496 . 12 1 1 A 62 62 LYS CB C 62 33.200 32.702 0.498 1
2 497 . 12 1 1 A 62 62 LYS N N 62 124.400 121.762 2.638 1
2 498 . 12 1 1 A 63 63 ASN H H 63 8.650 8.103 0.547 1
2 499 . 12 1 1 A 63 63 ASN HA H 63 4.740 4.832 -0.092 1
2 504 . 12 1 1 A 63 63 ASN C C 63 175.300 175.502 -0.202 1
2 505 . 12 1 1 A 63 63 ASN CA C 63 53.300 52.113 1.187 1
2 506 . 12 1 1 A 63 63 ASN CB C 63 39.000 38.637 0.363 1
2 507 . 12 1 1 A 63 63 ASN N N 63 121.200 115.224 5.976 1
2 509 . 12 1 1 A 64 64 SER H H 64 8.370 7.580 0.790 1
2 510 . 12 1 1 A 64 64 SER HA H 64 4.420 4.361 0.059 1
2 513 . 12 1 1 A 64 64 SER C C 64 174.300 173.408 0.892 1
2 514 . 12 1 1 A 64 64 SER CA C 64 58.400 59.349 -0.949 1
2 515 . 12 1 1 A 64 64 SER CB C 64 63.900 61.959 1.941 1
2 516 . 12 1 1 A 64 64 SER N N 64 116.900 117.446 -0.546 1
2 517 . 12 1 1 A 65 65 ALA H H 65 8.370 8.980 -0.610 1
2 518 . 12 1 1 A 65 65 ALA HA H 65 4.330 5.026 -0.696 1
2 522 . 12 1 1 A 65 65 ALA C C 65 177.800 176.109 1.691 1
2 523 . 12 1 1 A 65 65 ALA CA C 65 52.700 50.701 1.999 1
2 524 . 12 1 1 A 65 65 ALA CB C 65 19.300 20.105 -0.805 1
2 525 . 12 1 1 A 65 65 ALA N N 65 126.000 128.846 -2.846 1
2 526 . 12 1 1 A 66 66 ARG H H 66 8.230 8.979 -0.749 1
2 527 . 12 1 1 A 66 66 ARG HA H 66 4.300 4.455 -0.155 1
2 531 . 12 1 1 A 66 66 ARG C C 66 176.100 177.246 -1.146 1
2 532 . 12 1 1 A 66 66 ARG CA C 66 56.000 55.647 0.353 1
2 533 . 12 1 1 A 66 66 ARG CB C 66 30.800 31.208 -0.408 1
2 534 . 12 1 1 A 66 66 ARG N N 66 120.400 124.226 -3.826 1
2 536 . 12 1 1 A 67 67 ALA H H 67 8.290 8.989 -0.699 1
2 537 . 12 1 1 A 67 67 ALA HA H 67 4.290 4.047 0.243 1
2 541 . 12 1 1 A 67 67 ALA C C 67 177.600 179.927 -2.327 1
2 542 . 12 1 1 A 67 67 ALA CA C 67 52.500 55.255 -2.755 1
2 543 . 12 1 1 A 67 67 ALA CB C 67 19.200 18.025 1.175 1
2 544 . 12 1 1 A 67 67 ALA N N 67 125.700 126.103 -0.403 1
2 545 . 12 1 1 A 68 68 ALA H H 68 8.270 8.041 0.229 1
2 546 . 12 1 1 A 68 68 ALA HA H 68 4.290 4.064 0.226 1
2 550 . 12 1 1 A 68 68 ALA C C 68 178.600 179.275 -0.675 1
2 551 . 12 1 1 A 68 68 ALA CA C 68 52.400 55.395 -2.995 1
2 552 . 12 1 1 A 68 68 ALA CB C 68 19.200 18.704 0.496 1
2 553 . 12 1 1 A 68 68 ALA N N 68 123.100 119.208 3.892 1
2 554 . 12 1 1 A 69 69 ALA H H 69 8.260 7.564 0.696 1
2 555 . 12 1 1 A 69 69 ALA HA H 69 4.300 4.143 0.157 1
2 559 . 12 1 1 A 69 69 ALA C C 69 177.600 177.452 0.148 1
2 560 . 12 1 1 A 69 69 ALA CA C 69 52.500 52.641 -0.141 1
2 561 . 12 1 1 A 69 69 ALA CB C 69 19.200 19.044 0.156 1
2 562 . 12 1 1 A 69 69 ALA N N 69 123.500 120.262 3.238 1
2 563 . 12 1 1 A 70 70 ASN H H 70 8.390 8.931 -0.541 1
2 564 . 12 1 1 A 70 70 ASN HA H 70 4.750 5.250 -0.500 1
2 567 . 12 1 1 A 70 70 ASN C C 70 175.200 173.322 1.878 1
2 568 . 12 1 1 A 70 70 ASN CA C 70 53.300 52.183 1.117 1
2 569 . 12 1 1 A 70 70 ASN CB C 70 39.000 42.443 -3.443 1
2 570 . 12 1 1 A 70 70 ASN N N 70 117.500 120.767 -3.267 1
2 571 . 12 1 1 A 71 71 SER H H 71 8.240 8.720 -0.480 1
2 572 . 12 1 1 A 71 71 SER HA H 71 4.520 5.072 -0.552 1
2 575 . 12 1 1 A 71 71 SER C C 71 173.700 174.540 -0.840 1
2 576 . 12 1 1 A 71 71 SER CA C 71 58.400 56.858 1.542 1
2 577 . 12 1 1 A 71 71 SER CB C 71 64.200 66.958 -2.758 1
2 578 . 12 1 1 A 71 71 SER N N 71 116.200 115.743 0.457 1
2 5 . 13 1 1 A 2 2 SER H H 2 8.720 8.922 -0.202 1
2 6 . 13 1 1 A 2 2 SER HA H 2 4.600 4.969 -0.369 1
2 9 . 13 1 1 A 2 2 SER C C 2 174.800 173.405 1.395 1
2 10 . 13 1 1 A 2 2 SER CA C 2 58.300 57.196 1.104 1
2 11 . 13 1 1 A 2 2 SER CB C 2 64.000 63.795 0.205 1
2 12 . 13 1 1 A 2 2 SER N N 2 115.900 118.324 -2.424 1
2 13 . 13 1 1 A 3 3 THR H H 3 8.340 8.747 -0.407 1
2 14 . 13 1 1 A 3 3 THR HA H 3 4.390 4.315 0.075 1
2 16 . 13 1 1 A 3 3 THR C C 3 174.600 174.694 -0.094 1
2 17 . 13 1 1 A 3 3 THR CA C 3 62.000 62.824 -0.824 1
2 18 . 13 1 1 A 3 3 THR CB C 3 69.800 69.248 0.552 1
2 19 . 13 1 1 A 3 3 THR N N 3 116.100 122.165 -6.065 1
2 20 . 13 1 1 A 4 4 MET H H 4 8.430 8.700 -0.270 1
2 21 . 13 1 1 A 4 4 MET HA H 4 4.460 4.216 0.244 1
2 24 . 13 1 1 A 4 4 MET C C 4 175.800 175.964 -0.164 1
2 25 . 13 1 1 A 4 4 MET CA C 4 55.600 56.348 -0.748 1
2 26 . 13 1 1 A 4 4 MET CB C 4 33.000 33.758 -0.758 1
2 27 . 13 1 1 A 4 4 MET N N 4 122.900 126.259 -3.359 1
2 28 . 13 1 1 A 5 5 ALA H H 5 8.330 8.444 -0.114 1
2 29 . 13 1 1 A 5 5 ALA HA H 5 4.310 4.420 -0.110 1
2 33 . 13 1 1 A 5 5 ALA C C 5 177.500 176.865 0.635 1
2 34 . 13 1 1 A 5 5 ALA CA C 5 52.600 51.930 0.670 1
2 35 . 13 1 1 A 5 5 ALA CB C 5 19.200 18.950 0.250 1
2 36 . 13 1 1 A 5 5 ALA N N 5 125.600 126.312 -0.712 1
2 37 . 13 1 1 A 6 6 GLU H H 6 8.220 8.315 -0.095 1
2 38 . 13 1 1 A 6 6 GLU HA H 6 4.310 4.646 -0.336 1
2 41 . 13 1 1 A 6 6 GLU C C 6 176.200 174.583 1.617 1
2 42 . 13 1 1 A 6 6 GLU CA C 6 56.100 55.754 0.346 1
2 43 . 13 1 1 A 6 6 GLU CB C 6 30.600 30.328 0.272 1
2 44 . 13 1 1 A 6 6 GLU N N 6 119.900 125.199 -5.299 1
2 45 . 13 1 1 A 7 7 GLU H H 7 8.450 7.783 0.667 1
2 46 . 13 1 1 A 7 7 GLU HA H 7 4.440 4.923 -0.483 1
2 49 . 13 1 1 A 7 7 GLU C C 7 176.000 174.978 1.022 1
2 50 . 13 1 1 A 7 7 GLU CA C 7 56.500 54.869 1.631 1
2 51 . 13 1 1 A 7 7 GLU CB C 7 30.700 34.133 -3.433 1
2 52 . 13 1 1 A 7 7 GLU N N 7 122.400 120.808 1.592 1
2 53 . 13 1 1 A 8 8 VAL H H 8 8.490 8.416 0.074 1
2 54 . 13 1 1 A 8 8 VAL HA H 8 4.210 4.883 -0.673 1
2 56 . 13 1 1 A 8 8 VAL C C 8 175.900 175.311 0.589 1
2 57 . 13 1 1 A 8 8 VAL CA C 8 62.200 61.088 1.112 1
2 58 . 13 1 1 A 8 8 VAL CB C 8 33.300 34.945 -1.645 1
2 59 . 13 1 1 A 8 8 VAL N N 8 123.400 120.825 2.575 1
2 60 . 13 1 1 A 9 9 VAL H H 9 8.360 8.900 -0.540 1
2 61 . 13 1 1 A 9 9 VAL HA H 9 4.430 4.969 -0.539 1
2 63 . 13 1 1 A 9 9 VAL C C 9 176.300 174.738 1.562 1
2 64 . 13 1 1 A 9 9 VAL CA C 9 61.700 59.467 2.233 1
2 65 . 13 1 1 A 9 9 VAL CB C 9 33.000 34.733 -1.733 1
2 66 . 13 1 1 A 9 9 VAL N N 9 126.800 121.109 5.691 1
2 67 . 13 1 1 A 10 10 VAL H H 10 8.900 8.765 0.135 1
2 68 . 13 1 1 A 10 10 VAL HA H 10 4.980 5.376 -0.396 1
2 70 . 13 1 1 A 10 10 VAL C C 10 173.400 173.574 -0.174 1
2 71 . 13 1 1 A 10 10 VAL CA C 10 58.300 59.072 -0.772 1
2 72 . 13 1 1 A 10 10 VAL CB C 10 35.100 34.949 0.151 1
2 73 . 13 1 1 A 10 10 VAL N N 10 119.700 121.488 -1.788 1
2 74 . 13 1 1 A 11 11 VAL H H 11 8.550 9.048 -0.498 1
2 75 . 13 1 1 A 11 11 VAL HA H 11 5.000 4.956 0.044 1
2 77 . 13 1 1 A 11 11 VAL C C 11 176.700 174.208 2.492 1
2 78 . 13 1 1 A 11 11 VAL CA C 11 59.600 59.528 0.072 1
2 79 . 13 1 1 A 11 11 VAL CB C 11 35.100 34.392 0.708 1
2 80 . 13 1 1 A 11 11 VAL N N 11 118.700 122.601 -3.901 1
2 81 . 13 1 1 A 12 12 ALA H H 12 8.770 9.233 -0.463 1
2 82 . 13 1 1 A 12 12 ALA HA H 12 4.580 4.815 -0.235 1
2 86 . 13 1 1 A 12 12 ALA C C 12 178.600 178.709 -0.109 1
2 87 . 13 1 1 A 12 12 ALA CA C 12 52.800 51.355 1.445 1
2 88 . 13 1 1 A 12 12 ALA CB C 12 19.900 19.582 0.318 1
2 89 . 13 1 1 A 12 12 ALA N N 12 128.500 129.389 -0.889 1
2 90 . 13 1 1 A 13 13 LYS H H 13 9.370 8.764 0.606 1
2 91 . 13 1 1 A 13 13 LYS HA H 13 3.850 4.238 -0.388 1
2 94 . 13 1 1 A 13 13 LYS C C 13 174.700 175.500 -0.800 1
2 95 . 13 1 1 A 13 13 LYS CA C 13 57.300 56.407 0.893 1
2 96 . 13 1 1 A 13 13 LYS CB C 13 33.800 32.871 0.929 1
2 97 . 13 1 1 A 13 13 LYS N N 13 126.700 118.902 7.798 1
2 98 . 13 1 1 A 14 14 PHE H H 14 7.140 7.531 -0.391 1
2 99 . 13 1 1 A 14 14 PHE HA H 14 4.800 5.071 -0.271 1
2 102 . 13 1 1 A 14 14 PHE C C 14 173.600 174.274 -0.674 1
2 103 . 13 1 1 A 14 14 PHE CA C 14 53.700 56.733 -3.033 1
2 104 . 13 1 1 A 14 14 PHE CB C 14 43.700 43.794 -0.094 1
2 105 . 13 1 1 A 14 14 PHE N N 14 111.600 118.252 -6.652 1
2 106 . 13 1 1 A 15 15 ASP H H 15 8.360 9.085 -0.725 1
2 107 . 13 1 1 A 15 15 ASP HA H 15 4.790 5.754 -0.964 1
2 110 . 13 1 1 A 15 15 ASP C C 15 176.400 174.411 1.989 1
2 111 . 13 1 1 A 15 15 ASP CA C 15 54.700 52.827 1.873 1
2 112 . 13 1 1 A 15 15 ASP CB C 15 41.600 43.471 -1.871 1
2 113 . 13 1 1 A 15 15 ASP N N 15 117.400 119.223 -1.823 1
2 114 . 13 1 1 A 16 16 TYR H H 16 8.860 8.953 -0.093 1
2 115 . 13 1 1 A 16 16 TYR HA H 16 4.750 5.287 -0.537 1
2 118 . 13 1 1 A 16 16 TYR C C 16 173.700 173.488 0.212 1
2 119 . 13 1 1 A 16 16 TYR CA C 16 59.500 57.004 2.496 1
2 120 . 13 1 1 A 16 16 TYR CB C 16 41.500 42.196 -0.696 1
2 121 . 13 1 1 A 16 16 TYR N N 16 121.000 123.478 -2.478 1
2 122 . 13 1 1 A 17 17 VAL H H 17 7.180 8.294 -1.114 1
2 123 . 13 1 1 A 17 17 VAL HA H 17 4.150 4.225 -0.075 1
2 125 . 13 1 1 A 17 17 VAL C C 17 174.500 175.159 -0.659 1
2 126 . 13 1 1 A 17 17 VAL CA C 17 60.600 60.812 -0.212 1
2 127 . 13 1 1 A 17 17 VAL CB C 17 32.300 33.012 -0.712 1
2 128 . 13 1 1 A 17 17 VAL N N 17 129.100 123.879 5.221 1
2 129 . 13 1 1 A 18 18 ALA H H 18 8.640 8.221 0.419 1
2 130 . 13 1 1 A 18 18 ALA HA H 18 4.230 4.697 -0.467 1
2 134 . 13 1 1 A 18 18 ALA C C 18 179.100 177.543 1.557 1
2 135 . 13 1 1 A 18 18 ALA CA C 18 53.300 52.052 1.248 1
2 136 . 13 1 1 A 18 18 ALA CB C 18 19.900 18.902 0.998 1
2 137 . 13 1 1 A 18 18 ALA N N 18 128.900 131.309 -2.409 1
2 138 . 13 1 1 A 19 19 GLN H H 19 9.080 8.101 0.979 1
2 139 . 13 1 1 A 19 19 GLN HA H 19 4.320 3.956 0.364 1
2 144 . 13 1 1 A 19 19 GLN C C 19 175.500 177.126 -1.626 1
2 145 . 13 1 1 A 19 19 GLN CA C 19 55.100 59.895 -4.795 1
2 146 . 13 1 1 A 19 19 GLN CB C 19 31.200 28.906 2.294 1
2 148 . 13 1 1 A 19 19 GLN N N 19 120.400 125.053 -4.653 1
2 150 . 13 1 1 A 20 20 GLN H H 20 7.220 7.981 -0.761 1
2 151 . 13 1 1 A 20 20 GLN HA H 20 4.590 4.380 0.210 1
2 156 . 13 1 1 A 20 20 GLN C C 20 176.800 176.965 -0.165 1
2 157 . 13 1 1 A 20 20 GLN CA C 20 53.900 55.237 -1.337 1
2 158 . 13 1 1 A 20 20 GLN CB C 20 32.400 29.365 3.035 1
2 159 . 13 1 1 A 20 20 GLN N N 20 114.500 117.391 -2.891 1
2 161 . 13 1 1 A 21 21 GLU H H 21 8.980 8.920 0.060 1
2 162 . 13 1 1 A 21 21 GLU HA H 21 4.090 4.064 0.026 1
2 164 . 13 1 1 A 21 21 GLU C C 21 176.900 178.520 -1.620 1
2 165 . 13 1 1 A 21 21 GLU CA C 21 59.500 58.589 0.911 1
2 166 . 13 1 1 A 21 21 GLU CB C 21 29.700 29.195 0.505 1
2 167 . 13 1 1 A 21 21 GLU N N 21 121.600 122.940 -1.340 1
2 168 . 13 1 1 A 22 22 GLN H H 22 8.470 7.889 0.581 1
2 169 . 13 1 1 A 22 22 GLN HA H 22 4.540 4.121 0.419 1
2 174 . 13 1 1 A 22 22 GLN C C 22 176.700 176.473 0.227 1
2 175 . 13 1 1 A 22 22 GLN CA C 22 56.700 58.469 -1.769 1
2 176 . 13 1 1 A 22 22 GLN CB C 22 28.000 28.883 -0.883 1
2 178 . 13 1 1 A 22 22 GLN N N 22 113.600 119.934 -6.334 1
2 180 . 13 1 1 A 23 23 GLU H H 23 7.730 7.724 0.006 1
2 181 . 13 1 1 A 23 23 GLU HA H 23 5.340 4.535 0.805 1
2 184 . 13 1 1 A 23 23 GLU C C 23 174.700 176.065 -1.365 1
2 185 . 13 1 1 A 23 23 GLU CA C 23 55.600 57.000 -1.400 1
2 186 . 13 1 1 A 23 23 GLU CB C 23 32.400 30.773 1.627 1
2 187 . 13 1 1 A 23 23 GLU N N 23 120.200 118.822 1.378 1
2 188 . 13 1 1 A 24 24 LEU H H 24 7.900 8.771 -0.871 1
2 189 . 13 1 1 A 24 24 LEU HA H 24 4.680 5.199 -0.519 1
2 192 . 13 1 1 A 24 24 LEU C C 24 174.300 176.077 -1.777 1
2 193 . 13 1 1 A 24 24 LEU CA C 24 53.200 53.425 -0.225 1
2 194 . 13 1 1 A 24 24 LEU CB C 24 46.500 45.391 1.109 1
2 195 . 13 1 1 A 24 24 LEU N N 24 122.400 122.137 0.263 1
2 196 . 13 1 1 A 25 25 ASP H H 25 7.640 8.927 -1.287 1
2 197 . 13 1 1 A 25 25 ASP HA H 25 5.160 4.953 0.207 1
2 200 . 13 1 1 A 25 25 ASP C C 25 176.800 176.450 0.350 1
2 201 . 13 1 1 A 25 25 ASP CA C 25 54.200 54.064 0.136 1
2 202 . 13 1 1 A 25 25 ASP CB C 25 42.300 41.230 1.070 1
2 203 . 13 1 1 A 25 25 ASP N N 25 121.400 123.409 -2.009 1
2 204 . 13 1 1 A 26 26 ILE H H 26 8.930 8.807 0.123 1
2 205 . 13 1 1 A 26 26 ILE HA H 26 5.120 5.276 -0.156 1
2 207 . 13 1 1 A 26 26 ILE C C 26 175.200 174.151 1.049 1
2 208 . 13 1 1 A 26 26 ILE CA C 26 59.700 58.874 0.826 1
2 209 . 13 1 1 A 26 26 ILE CB C 26 42.400 42.334 0.066 1
2 210 . 13 1 1 A 26 26 ILE N N 26 115.600 119.158 -3.558 1
2 211 . 13 1 1 A 27 27 LYS H H 27 8.930 8.762 0.168 1
2 212 . 13 1 1 A 27 27 LYS HA H 27 5.090 4.818 0.272 1
2 215 . 13 1 1 A 27 27 LYS C C 27 175.300 174.636 0.664 1
2 216 . 13 1 1 A 27 27 LYS CA C 27 52.900 55.178 -2.278 1
2 217 . 13 1 1 A 27 27 LYS CB C 27 35.400 36.571 -1.171 1
2 218 . 13 1 1 A 27 27 LYS N N 27 123.000 121.644 1.356 1
2 219 . 13 1 1 A 28 28 LYS H H 28 8.990 8.625 0.365 1
2 220 . 13 1 1 A 28 28 LYS HA H 28 3.110 3.967 -0.857 1
2 222 . 13 1 1 A 28 28 LYS C C 28 177.000 177.376 -0.376 1
2 223 . 13 1 1 A 28 28 LYS CA C 28 59.200 58.279 0.921 1
2 224 . 13 1 1 A 28 28 LYS CB C 28 32.600 32.195 0.405 1
2 225 . 13 1 1 A 28 28 LYS N N 28 121.200 126.581 -5.381 1
2 226 . 13 1 1 A 29 29 ASN H H 29 8.700 9.258 -0.558 1
2 227 . 13 1 1 A 29 29 ASN HA H 29 4.180 4.139 0.041 1
2 232 . 13 1 1 A 29 29 ASN C C 29 174.200 174.317 -0.117 1
2 233 . 13 1 1 A 29 29 ASN CA C 29 55.900 54.287 1.613 1
2 234 . 13 1 1 A 29 29 ASN CB C 29 37.400 37.163 0.237 1
2 235 . 13 1 1 A 29 29 ASN N N 29 118.300 121.697 -3.397 1
2 237 . 13 1 1 A 30 30 GLU H H 30 8.660 7.857 0.803 1
2 238 . 13 1 1 A 30 30 GLU HA H 30 4.160 4.927 -0.767 1
2 241 . 13 1 1 A 30 30 GLU C C 30 175.200 174.871 0.329 1
2 242 . 13 1 1 A 30 30 GLU CA C 30 57.700 54.971 2.729 1
2 243 . 13 1 1 A 30 30 GLU CB C 30 31.800 32.517 -0.717 1
2 244 . 13 1 1 A 30 30 GLU N N 30 124.200 117.619 6.581 1
2 245 . 13 1 1 A 31 31 ARG H H 31 8.490 8.726 -0.236 1
2 246 . 13 1 1 A 31 31 ARG HA H 31 4.580 4.658 -0.078 1
2 250 . 13 1 1 A 31 31 ARG C C 31 175.000 175.422 -0.422 1
2 251 . 13 1 1 A 31 31 ARG CA C 31 56.200 55.755 0.445 1
2 252 . 13 1 1 A 31 31 ARG CB C 31 30.800 30.994 -0.194 1
2 253 . 13 1 1 A 31 31 ARG N N 31 125.000 126.532 -1.532 1
2 255 . 13 1 1 A 32 32 LEU H H 32 8.860 9.183 -0.323 1
2 256 . 13 1 1 A 32 32 LEU HA H 32 4.840 4.587 0.253 1
2 259 . 13 1 1 A 32 32 LEU C C 32 174.400 175.359 -0.959 1
2 260 . 13 1 1 A 32 32 LEU CA C 32 53.300 53.189 0.111 1
2 261 . 13 1 1 A 32 32 LEU CB C 32 46.300 45.730 0.570 1
2 262 . 13 1 1 A 32 32 LEU N N 32 125.600 124.505 1.095 1
2 263 . 13 1 1 A 33 33 TRP H H 33 9.160 8.877 0.283 1
2 264 . 13 1 1 A 33 33 TRP HA H 33 5.100 5.259 -0.159 1
2 268 . 13 1 1 A 33 33 TRP C C 33 176.000 175.805 0.195 1
2 269 . 13 1 1 A 33 33 TRP CA C 33 58.300 56.486 1.814 1
2 270 . 13 1 1 A 33 33 TRP CB C 33 31.000 30.874 0.126 1
2 271 . 13 1 1 A 33 33 TRP N N 33 121.000 122.176 -1.176 1
2 273 . 13 1 1 A 34 34 LEU H H 34 9.130 8.805 0.325 1
2 274 . 13 1 1 A 34 34 LEU HA H 34 4.330 4.415 -0.085 1
2 277 . 13 1 1 A 34 34 LEU C C 34 175.400 175.998 -0.598 1
2 278 . 13 1 1 A 34 34 LEU CA C 34 55.600 55.761 -0.161 1
2 279 . 13 1 1 A 34 34 LEU CB C 34 43.700 42.442 1.258 1
2 280 . 13 1 1 A 34 34 LEU N N 34 125.100 126.964 -1.864 1
2 281 . 13 1 1 A 35 35 LEU H H 35 9.020 8.904 0.116 1
2 282 . 13 1 1 A 35 35 LEU HA H 35 4.620 4.436 0.184 1
2 285 . 13 1 1 A 35 35 LEU C C 35 177.400 176.225 1.175 1
2 286 . 13 1 1 A 35 35 LEU CA C 35 55.400 56.050 -0.650 1
2 287 . 13 1 1 A 35 35 LEU CB C 35 42.600 42.930 -0.330 1
2 288 . 13 1 1 A 35 35 LEU N N 35 126.300 127.433 -1.133 1
2 289 . 13 1 1 A 36 36 ASP H H 36 7.460 7.567 -0.107 1
2 290 . 13 1 1 A 36 36 ASP HA H 36 4.760 4.878 -0.118 1
2 293 . 13 1 1 A 36 36 ASP C C 36 175.000 175.192 -0.192 1
2 294 . 13 1 1 A 36 36 ASP CA C 36 55.200 52.814 2.386 1
2 295 . 13 1 1 A 36 36 ASP CB C 36 43.400 42.815 0.585 1
2 296 . 13 1 1 A 36 36 ASP N N 36 115.400 117.258 -1.858 1
2 297 . 13 1 1 A 37 37 ASP H H 37 8.330 8.421 -0.091 1
2 298 . 13 1 1 A 37 37 ASP HA H 37 3.940 4.620 -0.680 1
2 301 . 13 1 1 A 37 37 ASP C C 37 176.400 176.624 -0.224 1
2 302 . 13 1 1 A 37 37 ASP CA C 37 52.200 52.439 -0.239 1
2 303 . 13 1 1 A 37 37 ASP CB C 37 39.900 39.642 0.258 1
2 304 . 13 1 1 A 37 37 ASP N N 37 128.400 124.023 4.377 1
2 305 . 13 1 1 A 38 38 SER H H 38 8.470 8.345 0.125 1
2 306 . 13 1 1 A 38 38 SER HA H 38 4.210 4.652 -0.442 1
2 309 . 13 1 1 A 38 38 SER C C 38 175.300 174.482 0.818 1
2 310 . 13 1 1 A 38 38 SER CA C 38 61.600 60.005 1.595 1
2 311 . 13 1 1 A 38 38 SER CB C 38 64.100 64.820 -0.720 1
2 312 . 13 1 1 A 38 38 SER N N 38 115.700 114.540 1.160 1
2 313 . 13 1 1 A 39 39 LYS H H 39 8.440 7.657 0.783 1
2 314 . 13 1 1 A 39 39 LYS HA H 39 4.910 4.445 0.465 1
2 317 . 13 1 1 A 39 39 LYS C C 39 175.900 177.747 -1.847 1
2 318 . 13 1 1 A 39 39 LYS CA C 39 55.000 56.071 -1.071 1
2 319 . 13 1 1 A 39 39 LYS CB C 39 34.300 33.449 0.851 1
2 320 . 13 1 1 A 39 39 LYS N N 39 122.300 120.564 1.736 1
2 321 . 13 1 1 A 40 40 SER H H 40 8.360 8.911 -0.551 1
2 322 . 13 1 1 A 40 40 SER HA H 40 4.310 4.215 0.095 1
2 325 . 13 1 1 A 40 40 SER C C 40 175.200 174.353 0.847 1
2 326 . 13 1 1 A 40 40 SER CA C 40 60.900 61.911 -1.011 1
2 327 . 13 1 1 A 40 40 SER CB C 40 63.100 63.524 -0.424 1
2 328 . 13 1 1 A 40 40 SER N N 40 112.600 117.958 -5.358 1
2 329 . 13 1 1 A 41 41 TRP H H 41 7.440 8.160 -0.720 1
2 330 . 13 1 1 A 41 41 TRP HA H 41 4.840 4.797 0.043 1
2 334 . 13 1 1 A 41 41 TRP C C 41 175.500 176.688 -1.188 1
2 335 . 13 1 1 A 41 41 TRP CA C 41 56.800 57.117 -0.317 1
2 336 . 13 1 1 A 41 41 TRP CB C 41 29.600 29.678 -0.078 1
2 337 . 13 1 1 A 41 41 TRP N N 41 121.300 118.926 2.374 1
2 339 . 13 1 1 A 42 42 TRP H H 42 9.350 8.901 0.449 1
2 340 . 13 1 1 A 42 42 TRP HA H 42 5.440 5.132 0.308 1
2 344 . 13 1 1 A 42 42 TRP C C 42 175.000 176.130 -1.130 1
2 345 . 13 1 1 A 42 42 TRP CA C 42 54.300 57.660 -3.360 1
2 346 . 13 1 1 A 42 42 TRP CB C 42 30.800 29.572 1.228 1
2 347 . 13 1 1 A 42 42 TRP N N 42 125.400 125.094 0.306 1
2 349 . 13 1 1 A 43 43 ARG H H 43 8.810 9.077 -0.267 1
2 350 . 13 1 1 A 43 43 ARG HA H 43 4.530 4.556 -0.026 1
2 354 . 13 1 1 A 43 43 ARG C C 43 175.600 176.172 -0.572 1
2 355 . 13 1 1 A 43 43 ARG CA C 43 55.400 56.044 -0.644 1
2 356 . 13 1 1 A 43 43 ARG CB C 43 32.200 30.468 1.732 1
2 357 . 13 1 1 A 43 43 ARG N N 43 124.200 126.272 -2.072 1
2 359 . 13 1 1 A 44 44 VAL H H 44 9.210 8.729 0.481 1
2 360 . 13 1 1 A 44 44 VAL HA H 44 5.510 5.183 0.327 1
2 362 . 13 1 1 A 44 44 VAL C C 44 172.800 174.026 -1.226 1
2 363 . 13 1 1 A 44 44 VAL CA C 44 58.800 58.787 0.013 1
2 364 . 13 1 1 A 44 44 VAL CB C 44 36.600 36.234 0.366 1
2 365 . 13 1 1 A 44 44 VAL N N 44 121.400 119.255 2.145 1
2 366 . 13 1 1 A 45 45 ARG H H 45 9.260 8.925 0.335 1
2 367 . 13 1 1 A 45 45 ARG HA H 45 5.510 5.450 0.060 1
2 371 . 13 1 1 A 45 45 ARG C C 45 175.700 174.060 1.640 1
2 372 . 13 1 1 A 45 45 ARG CA C 45 53.700 54.047 -0.347 1
2 373 . 13 1 1 A 45 45 ARG CB C 45 35.400 34.171 1.229 1
2 374 . 13 1 1 A 45 45 ARG N N 45 120.000 121.384 -1.384 1
2 376 . 13 1 1 A 46 46 ASN H H 46 8.820 9.172 -0.352 1
2 377 . 13 1 1 A 46 46 ASN HA H 46 5.470 5.292 0.178 1
2 382 . 13 1 1 A 46 46 ASN C C 46 178.500 177.117 1.383 1
2 383 . 13 1 1 A 46 46 ASN CA C 46 50.600 51.511 -0.911 1
2 384 . 13 1 1 A 46 46 ASN CB C 46 41.000 41.112 -0.112 1
2 385 . 13 1 1 A 46 46 ASN N N 46 123.300 124.261 -0.961 1
2 387 . 13 1 1 A 47 47 SER H H 47 9.730 9.055 0.675 1
2 388 . 13 1 1 A 47 47 SER HA H 47 4.320 4.372 -0.052 1
2 391 . 13 1 1 A 47 47 SER C C 47 175.200 175.230 -0.030 1
2 392 . 13 1 1 A 47 47 SER CA C 47 61.500 61.337 0.163 1
2 393 . 13 1 1 A 47 47 SER CB C 47 63.100 63.198 -0.098 1
2 394 . 13 1 1 A 47 47 SER N N 47 115.000 118.491 -3.491 1
2 395 . 13 1 1 A 48 48 MET H H 48 7.650 7.591 0.059 1
2 396 . 13 1 1 A 48 48 MET HA H 48 4.730 4.582 0.148 1
2 399 . 13 1 1 A 48 48 MET C C 48 175.800 176.118 -0.318 1
2 400 . 13 1 1 A 48 48 MET CA C 48 54.500 55.769 -1.269 1
2 401 . 13 1 1 A 48 48 MET CB C 48 31.600 33.284 -1.684 1
2 402 . 13 1 1 A 48 48 MET N N 48 120.300 119.464 0.836 1
2 403 . 13 1 1 A 49 49 ASN H H 49 8.430 8.023 0.407 1
2 404 . 13 1 1 A 49 49 ASN HA H 49 4.210 4.451 -0.241 1
2 409 . 13 1 1 A 49 49 ASN C C 49 174.200 174.268 -0.068 1
2 410 . 13 1 1 A 49 49 ASN CA C 49 54.900 54.339 0.561 1
2 411 . 13 1 1 A 49 49 ASN CB C 49 37.100 36.528 0.572 1
2 412 . 13 1 1 A 49 49 ASN N N 49 113.400 116.983 -3.583 1
2 414 . 13 1 1 A 50 50 LYS H H 50 8.090 7.794 0.296 1
2 415 . 13 1 1 A 50 50 LYS HA H 50 4.560 4.284 0.276 1
2 418 . 13 1 1 A 50 50 LYS C C 50 175.500 175.469 0.031 1
2 419 . 13 1 1 A 50 50 LYS CA C 50 55.600 56.581 -0.981 1
2 420 . 13 1 1 A 50 50 LYS CB C 50 33.300 33.605 -0.305 1
2 421 . 13 1 1 A 50 50 LYS N N 50 121.000 120.970 0.030 1
2 422 . 13 1 1 A 51 51 THR H H 51 8.310 8.707 -0.397 1
2 423 . 13 1 1 A 51 51 THR HA H 51 5.730 5.355 0.375 1
2 425 . 13 1 1 A 51 51 THR C C 51 174.600 174.238 0.362 1
2 426 . 13 1 1 A 51 51 THR CA C 51 59.300 60.143 -0.843 1
2 427 . 13 1 1 A 51 51 THR CB C 51 71.900 72.141 -0.241 1
2 428 . 13 1 1 A 51 51 THR N N 51 113.800 116.739 -2.939 1
2 429 . 13 1 1 A 52 52 GLY H H 52 8.630 7.966 0.664 1
2 430 . 13 1 1 A 52 52 GLY HA2 H 52 4.090 4.239 -0.149 1
2 431 . 13 1 1 A 52 52 GLY HA3 H 52 3.920 4.300 -0.380 1
2 432 . 13 1 1 A 52 52 GLY C C 52 170.500 171.513 -1.013 1
2 433 . 13 1 1 A 52 52 GLY CA C 52 45.600 45.348 0.252 1
2 434 . 13 1 1 A 52 52 GLY N N 52 107.900 111.785 -3.885 1
2 435 . 13 1 1 A 53 53 PHE H H 53 9.030 8.773 0.257 1
2 436 . 13 1 1 A 53 53 PHE HA H 53 5.850 5.210 0.640 1
2 439 . 13 1 1 A 53 53 PHE C C 53 176.400 175.822 0.578 1
2 440 . 13 1 1 A 53 53 PHE CA C 53 58.000 57.891 0.109 1
2 441 . 13 1 1 A 53 53 PHE CB C 53 42.800 41.186 1.614 1
2 442 . 13 1 1 A 53 53 PHE N N 53 118.200 119.214 -1.014 1
2 443 . 13 1 1 A 54 54 VAL H H 54 9.150 8.993 0.157 1
2 444 . 13 1 1 A 54 54 VAL HA H 54 4.790 5.031 -0.241 1
2 445 . 13 1 1 A 54 54 VAL CA C 54 57.600 58.389 -0.789 1
2 446 . 13 1 1 A 54 54 VAL CB C 54 33.300 34.924 -1.624 1
2 447 . 13 1 1 A 54 54 VAL N N 54 112.100 117.338 -5.238 1
2 448 . 13 1 1 A 57 57 ASN HA H 57 4.480 4.534 -0.054 1
2 453 . 13 1 1 A 57 57 ASN C C 57 175.500 175.945 -0.445 1
2 454 . 13 1 1 A 57 57 ASN CA C 57 53.900 55.531 -1.631 1
2 455 . 13 1 1 A 57 57 ASN CB C 57 36.600 38.493 -1.893 1
2 457 . 13 1 1 A 58 58 TYR H H 58 7.950 7.799 0.151 1
2 458 . 13 1 1 A 58 58 TYR HA H 58 4.460 4.620 -0.160 1
2 461 . 13 1 1 A 58 58 TYR C C 58 175.200 175.765 -0.565 1
2 462 . 13 1 1 A 58 58 TYR CA C 58 59.100 59.104 -0.004 1
2 463 . 13 1 1 A 58 58 TYR CB C 58 38.100 40.245 -2.145 1
2 464 . 13 1 1 A 58 58 TYR N N 58 118.400 115.394 3.006 1
2 465 . 13 1 1 A 59 59 VAL H H 59 7.300 7.072 0.228 1
2 466 . 13 1 1 A 59 59 VAL HA H 59 5.080 5.027 0.053 1
2 468 . 13 1 1 A 59 59 VAL C C 59 173.100 174.472 -1.372 1
2 469 . 13 1 1 A 59 59 VAL CA C 59 58.700 59.719 -1.019 1
2 470 . 13 1 1 A 59 59 VAL CB C 59 35.500 34.312 1.188 1
2 471 . 13 1 1 A 59 59 VAL N N 59 111.800 115.244 -3.444 1
2 472 . 13 1 1 A 60 60 GLU H H 60 8.680 8.338 0.342 1
2 473 . 13 1 1 A 60 60 GLU HA H 60 4.790 4.853 -0.063 1
2 476 . 13 1 1 A 60 60 GLU C C 60 175.600 174.995 0.605 1
2 477 . 13 1 1 A 60 60 GLU CA C 60 54.400 55.578 -1.178 1
2 478 . 13 1 1 A 60 60 GLU CB C 60 33.300 33.753 -0.453 1
2 479 . 13 1 1 A 60 60 GLU N N 60 118.900 120.641 -1.741 1
2 480 . 13 1 1 A 61 61 ARG H H 61 9.070 8.800 0.270 1
2 481 . 13 1 1 A 61 61 ARG HA H 61 4.540 4.563 -0.023 1
2 485 . 13 1 1 A 61 61 ARG C C 61 175.900 176.357 -0.457 1
2 486 . 13 1 1 A 61 61 ARG CA C 61 56.500 57.492 -0.992 1
2 487 . 13 1 1 A 61 61 ARG CB C 61 31.200 30.609 0.591 1
2 488 . 13 1 1 A 61 61 ARG N N 61 125.400 125.144 0.256 1
2 490 . 13 1 1 A 62 62 LYS H H 62 8.540 8.381 0.159 1
2 491 . 13 1 1 A 62 62 LYS HA H 62 4.370 4.096 0.274 1
2 494 . 13 1 1 A 62 62 LYS C C 62 176.000 176.579 -0.579 1
2 495 . 13 1 1 A 62 62 LYS CA C 62 55.900 57.136 -1.236 1
2 496 . 13 1 1 A 62 62 LYS CB C 62 33.200 33.511 -0.311 1
2 497 . 13 1 1 A 62 62 LYS N N 62 124.400 122.973 1.427 1
2 498 . 13 1 1 A 63 63 ASN H H 63 8.650 8.735 -0.085 1
2 499 . 13 1 1 A 63 63 ASN HA H 63 4.740 4.822 -0.082 1
2 504 . 13 1 1 A 63 63 ASN C C 63 175.300 177.037 -1.737 1
2 505 . 13 1 1 A 63 63 ASN CA C 63 53.300 53.404 -0.104 1
2 506 . 13 1 1 A 63 63 ASN CB C 63 39.000 40.361 -1.361 1
2 507 . 13 1 1 A 63 63 ASN N N 63 121.200 123.121 -1.921 1
2 509 . 13 1 1 A 64 64 SER H H 64 8.370 8.251 0.119 1
2 510 . 13 1 1 A 64 64 SER HA H 64 4.420 4.025 0.395 1
2 513 . 13 1 1 A 64 64 SER C C 64 174.300 175.837 -1.537 1
2 514 . 13 1 1 A 64 64 SER CA C 64 58.400 61.578 -3.178 1
2 515 . 13 1 1 A 64 64 SER CB C 64 63.900 62.999 0.901 1
2 516 . 13 1 1 A 64 64 SER N N 64 116.900 114.304 2.596 1
2 517 . 13 1 1 A 65 65 ALA H H 65 8.370 7.745 0.625 1
2 518 . 13 1 1 A 65 65 ALA HA H 65 4.330 4.192 0.138 1
2 522 . 13 1 1 A 65 65 ALA C C 65 177.800 177.775 0.025 1
2 523 . 13 1 1 A 65 65 ALA CA C 65 52.700 52.526 0.174 1
2 524 . 13 1 1 A 65 65 ALA CB C 65 19.300 18.554 0.746 1
2 525 . 13 1 1 A 65 65 ALA N N 65 126.000 122.084 3.916 1
2 526 . 13 1 1 A 66 66 ARG H H 66 8.230 9.028 -0.798 1
2 527 . 13 1 1 A 66 66 ARG HA H 66 4.300 4.011 0.289 1
2 531 . 13 1 1 A 66 66 ARG C C 66 176.100 176.806 -0.706 1
2 532 . 13 1 1 A 66 66 ARG CA C 66 56.000 56.358 -0.358 1
2 533 . 13 1 1 A 66 66 ARG CB C 66 30.800 28.880 1.920 1
2 534 . 13 1 1 A 66 66 ARG N N 66 120.400 121.278 -0.878 1
2 536 . 13 1 1 A 67 67 ALA H H 67 8.290 8.071 0.219 1
2 537 . 13 1 1 A 67 67 ALA HA H 67 4.290 3.998 0.292 1
2 541 . 13 1 1 A 67 67 ALA C C 67 177.600 179.468 -1.868 1
2 542 . 13 1 1 A 67 67 ALA CA C 67 52.500 55.103 -2.603 1
2 543 . 13 1 1 A 67 67 ALA CB C 67 19.200 18.257 0.943 1
2 544 . 13 1 1 A 67 67 ALA N N 67 125.700 126.269 -0.569 1
2 545 . 13 1 1 A 68 68 ALA H H 68 8.270 8.058 0.212 1
2 546 . 13 1 1 A 68 68 ALA HA H 68 4.290 4.034 0.256 1
2 550 . 13 1 1 A 68 68 ALA C C 68 178.600 179.135 -0.535 1
2 551 . 13 1 1 A 68 68 ALA CA C 68 52.400 55.214 -2.814 1
2 552 . 13 1 1 A 68 68 ALA CB C 68 19.200 18.304 0.896 1
2 553 . 13 1 1 A 68 68 ALA N N 68 123.100 119.529 3.571 1
2 554 . 13 1 1 A 69 69 ALA H H 69 8.260 7.304 0.956 1
2 555 . 13 1 1 A 69 69 ALA HA H 69 4.300 4.154 0.146 1
2 559 . 13 1 1 A 69 69 ALA C C 69 177.600 177.335 0.265 1
2 560 . 13 1 1 A 69 69 ALA CA C 69 52.500 52.934 -0.434 1
2 561 . 13 1 1 A 69 69 ALA CB C 69 19.200 19.218 -0.018 1
2 562 . 13 1 1 A 69 69 ALA N N 69 123.500 120.874 2.626 1
2 563 . 13 1 1 A 70 70 ASN H H 70 8.390 8.698 -0.308 1
2 564 . 13 1 1 A 70 70 ASN HA H 70 4.750 4.705 0.045 1
2 567 . 13 1 1 A 70 70 ASN C C 70 175.200 175.265 -0.065 1
2 568 . 13 1 1 A 70 70 ASN CA C 70 53.300 53.526 -0.226 1
2 569 . 13 1 1 A 70 70 ASN CB C 70 39.000 38.026 0.974 1
2 570 . 13 1 1 A 70 70 ASN N N 70 117.500 122.620 -5.120 1
2 571 . 13 1 1 A 71 71 SER H H 71 8.240 8.899 -0.659 1
2 572 . 13 1 1 A 71 71 SER HA H 71 4.520 4.799 -0.279 1
2 575 . 13 1 1 A 71 71 SER C C 71 173.700 173.414 0.286 1
2 576 . 13 1 1 A 71 71 SER CA C 71 58.400 58.523 -0.123 1
2 577 . 13 1 1 A 71 71 SER CB C 71 64.200 63.933 0.267 1
2 578 . 13 1 1 A 71 71 SER N N 71 116.200 120.529 -4.329 1
2 5 . 14 1 1 A 2 2 SER H H 2 8.720 8.717 0.003 1
2 6 . 14 1 1 A 2 2 SER HA H 2 4.600 3.898 0.702 1
2 9 . 14 1 1 A 2 2 SER C C 2 174.800 174.140 0.660 1
2 10 . 14 1 1 A 2 2 SER CA C 2 58.300 58.810 -0.510 1
2 11 . 14 1 1 A 2 2 SER CB C 2 64.000 61.773 2.227 1
2 12 . 14 1 1 A 2 2 SER N N 2 115.900 116.555 -0.655 1
2 13 . 14 1 1 A 3 3 THR H H 3 8.340 8.169 0.171 1
2 14 . 14 1 1 A 3 3 THR HA H 3 4.390 4.239 0.151 1
2 16 . 14 1 1 A 3 3 THR C C 3 174.600 174.455 0.145 1
2 17 . 14 1 1 A 3 3 THR CA C 3 62.000 63.554 -1.554 1
2 18 . 14 1 1 A 3 3 THR CB C 3 69.800 68.866 0.934 1
2 19 . 14 1 1 A 3 3 THR N N 3 116.100 117.553 -1.453 1
2 20 . 14 1 1 A 4 4 MET H H 4 8.430 8.615 -0.185 1
2 21 . 14 1 1 A 4 4 MET HA H 4 4.460 4.446 0.014 1
2 24 . 14 1 1 A 4 4 MET C C 4 175.800 176.683 -0.883 1
2 25 . 14 1 1 A 4 4 MET CA C 4 55.600 58.215 -2.615 1
2 26 . 14 1 1 A 4 4 MET CB C 4 33.000 33.759 -0.759 1
2 27 . 14 1 1 A 4 4 MET N N 4 122.900 123.319 -0.419 1
2 28 . 14 1 1 A 5 5 ALA H H 5 8.330 7.654 0.676 1
2 29 . 14 1 1 A 5 5 ALA HA H 5 4.310 4.281 0.029 1
2 33 . 14 1 1 A 5 5 ALA C C 5 177.500 177.770 -0.270 1
2 34 . 14 1 1 A 5 5 ALA CA C 5 52.600 52.185 0.415 1
2 35 . 14 1 1 A 5 5 ALA CB C 5 19.200 19.741 -0.541 1
2 36 . 14 1 1 A 5 5 ALA N N 5 125.600 121.534 4.066 1
2 37 . 14 1 1 A 6 6 GLU H H 6 8.220 9.112 -0.892 1
2 38 . 14 1 1 A 6 6 GLU HA H 6 4.310 3.903 0.407 1
2 41 . 14 1 1 A 6 6 GLU C C 6 176.200 174.955 1.245 1
2 42 . 14 1 1 A 6 6 GLU CA C 6 56.100 57.282 -1.182 1
2 43 . 14 1 1 A 6 6 GLU CB C 6 30.600 28.148 2.452 1
2 44 . 14 1 1 A 6 6 GLU N N 6 119.900 120.494 -0.594 1
2 45 . 14 1 1 A 7 7 GLU H H 7 8.450 7.918 0.532 1
2 46 . 14 1 1 A 7 7 GLU HA H 7 4.440 4.803 -0.363 1
2 49 . 14 1 1 A 7 7 GLU C C 7 176.000 174.631 1.369 1
2 50 . 14 1 1 A 7 7 GLU CA C 7 56.500 56.189 0.311 1
2 51 . 14 1 1 A 7 7 GLU CB C 7 30.700 34.101 -3.401 1
2 52 . 14 1 1 A 7 7 GLU N N 7 122.400 121.986 0.414 1
2 53 . 14 1 1 A 8 8 VAL H H 8 8.490 8.533 -0.043 1
2 54 . 14 1 1 A 8 8 VAL HA H 8 4.210 4.853 -0.643 1
2 56 . 14 1 1 A 8 8 VAL C C 8 175.900 175.000 0.900 1
2 57 . 14 1 1 A 8 8 VAL CA C 8 62.200 60.626 1.574 1
2 58 . 14 1 1 A 8 8 VAL CB C 8 33.300 35.774 -2.474 1
2 59 . 14 1 1 A 8 8 VAL N N 8 123.400 123.881 -0.481 1
2 60 . 14 1 1 A 9 9 VAL H H 9 8.360 8.806 -0.446 1
2 61 . 14 1 1 A 9 9 VAL HA H 9 4.430 4.947 -0.517 1
2 63 . 14 1 1 A 9 9 VAL C C 9 176.300 174.771 1.529 1
2 64 . 14 1 1 A 9 9 VAL CA C 9 61.700 59.269 2.431 1
2 65 . 14 1 1 A 9 9 VAL CB C 9 33.000 34.644 -1.644 1
2 66 . 14 1 1 A 9 9 VAL N N 9 126.800 120.837 5.963 1
2 67 . 14 1 1 A 10 10 VAL H H 10 8.900 8.756 0.144 1
2 68 . 14 1 1 A 10 10 VAL HA H 10 4.980 5.266 -0.286 1
2 70 . 14 1 1 A 10 10 VAL C C 10 173.400 173.878 -0.478 1
2 71 . 14 1 1 A 10 10 VAL CA C 10 58.300 59.466 -1.166 1
2 72 . 14 1 1 A 10 10 VAL CB C 10 35.100 35.300 -0.200 1
2 73 . 14 1 1 A 10 10 VAL N N 10 119.700 120.598 -0.898 1
2 74 . 14 1 1 A 11 11 VAL H H 11 8.550 9.072 -0.522 1
2 75 . 14 1 1 A 11 11 VAL HA H 11 5.000 4.626 0.374 1
2 77 . 14 1 1 A 11 11 VAL C C 11 176.700 175.327 1.373 1
2 78 . 14 1 1 A 11 11 VAL CA C 11 59.600 59.976 -0.376 1
2 79 . 14 1 1 A 11 11 VAL CB C 11 35.100 33.552 1.548 1
2 80 . 14 1 1 A 11 11 VAL N N 11 118.700 125.774 -7.074 1
2 81 . 14 1 1 A 12 12 ALA H H 12 8.770 8.978 -0.208 1
2 82 . 14 1 1 A 12 12 ALA HA H 12 4.580 4.384 0.196 1
2 86 . 14 1 1 A 12 12 ALA C C 12 178.600 178.757 -0.157 1
2 87 . 14 1 1 A 12 12 ALA CA C 12 52.800 52.749 0.051 1
2 88 . 14 1 1 A 12 12 ALA CB C 12 19.900 19.099 0.801 1
2 89 . 14 1 1 A 12 12 ALA N N 12 128.500 130.696 -2.196 1
2 90 . 14 1 1 A 13 13 LYS H H 13 9.370 8.646 0.724 1
2 91 . 14 1 1 A 13 13 LYS HA H 13 3.850 4.319 -0.469 1
2 94 . 14 1 1 A 13 13 LYS C C 13 174.700 175.444 -0.744 1
2 95 . 14 1 1 A 13 13 LYS CA C 13 57.300 56.195 1.105 1
2 96 . 14 1 1 A 13 13 LYS CB C 13 33.800 33.081 0.719 1
2 97 . 14 1 1 A 13 13 LYS N N 13 126.700 119.000 7.700 1
2 98 . 14 1 1 A 14 14 PHE H H 14 7.140 7.595 -0.455 1
2 99 . 14 1 1 A 14 14 PHE HA H 14 4.800 5.091 -0.291 1
2 102 . 14 1 1 A 14 14 PHE C C 14 173.600 173.938 -0.338 1
2 103 . 14 1 1 A 14 14 PHE CA C 14 53.700 56.769 -3.069 1
2 104 . 14 1 1 A 14 14 PHE CB C 14 43.700 44.120 -0.420 1
2 105 . 14 1 1 A 14 14 PHE N N 14 111.600 118.246 -6.646 1
2 106 . 14 1 1 A 15 15 ASP H H 15 8.360 9.222 -0.862 1
2 107 . 14 1 1 A 15 15 ASP HA H 15 4.790 5.777 -0.987 1
2 110 . 14 1 1 A 15 15 ASP C C 15 176.400 174.080 2.320 1
2 111 . 14 1 1 A 15 15 ASP CA C 15 54.700 52.519 2.181 1
2 112 . 14 1 1 A 15 15 ASP CB C 15 41.600 43.284 -1.684 1
2 113 . 14 1 1 A 15 15 ASP N N 15 117.400 118.780 -1.380 1
2 114 . 14 1 1 A 16 16 TYR H H 16 8.860 8.910 -0.050 1
2 115 . 14 1 1 A 16 16 TYR HA H 16 4.750 5.121 -0.371 1
2 118 . 14 1 1 A 16 16 TYR C C 16 173.700 173.649 0.051 1
2 119 . 14 1 1 A 16 16 TYR CA C 16 59.500 56.089 3.411 1
2 120 . 14 1 1 A 16 16 TYR CB C 16 41.500 42.006 -0.506 1
2 121 . 14 1 1 A 16 16 TYR N N 16 121.000 123.704 -2.704 1
2 122 . 14 1 1 A 17 17 VAL H H 17 7.180 8.379 -1.199 1
2 123 . 14 1 1 A 17 17 VAL HA H 17 4.150 4.257 -0.107 1
2 125 . 14 1 1 A 17 17 VAL C C 17 174.500 175.202 -0.702 1
2 126 . 14 1 1 A 17 17 VAL CA C 17 60.600 60.517 0.083 1
2 127 . 14 1 1 A 17 17 VAL CB C 17 32.300 33.560 -1.260 1
2 128 . 14 1 1 A 17 17 VAL N N 17 129.100 123.894 5.206 1
2 129 . 14 1 1 A 18 18 ALA H H 18 8.640 8.400 0.240 1
2 130 . 14 1 1 A 18 18 ALA HA H 18 4.230 4.370 -0.140 1
2 134 . 14 1 1 A 18 18 ALA C C 18 179.100 177.601 1.499 1
2 135 . 14 1 1 A 18 18 ALA CA C 18 53.300 51.208 2.092 1
2 136 . 14 1 1 A 18 18 ALA CB C 18 19.900 17.692 2.208 1
2 137 . 14 1 1 A 18 18 ALA N N 18 128.900 131.221 -2.321 1
2 138 . 14 1 1 A 19 19 GLN H H 19 9.080 8.256 0.824 1
2 139 . 14 1 1 A 19 19 GLN HA H 19 4.320 3.946 0.374 1
2 144 . 14 1 1 A 19 19 GLN C C 19 175.500 177.063 -1.563 1
2 145 . 14 1 1 A 19 19 GLN CA C 19 55.100 59.596 -4.496 1
2 146 . 14 1 1 A 19 19 GLN CB C 19 31.200 28.694 2.506 1
2 148 . 14 1 1 A 19 19 GLN N N 19 120.400 123.940 -3.540 1
2 150 . 14 1 1 A 20 20 GLN H H 20 7.220 7.822 -0.602 1
2 151 . 14 1 1 A 20 20 GLN HA H 20 4.590 4.340 0.250 1
2 156 . 14 1 1 A 20 20 GLN C C 20 176.800 176.961 -0.161 1
2 157 . 14 1 1 A 20 20 GLN CA C 20 53.900 55.487 -1.587 1
2 158 . 14 1 1 A 20 20 GLN CB C 20 32.400 30.118 2.282 1
2 159 . 14 1 1 A 20 20 GLN N N 20 114.500 117.719 -3.219 1
2 161 . 14 1 1 A 21 21 GLU H H 21 8.980 8.880 0.100 1
2 162 . 14 1 1 A 21 21 GLU HA H 21 4.090 4.091 -0.001 1
2 164 . 14 1 1 A 21 21 GLU C C 21 176.900 179.006 -2.106 1
2 165 . 14 1 1 A 21 21 GLU CA C 21 59.500 58.819 0.681 1
2 166 . 14 1 1 A 21 21 GLU CB C 21 29.700 29.131 0.569 1
2 167 . 14 1 1 A 21 21 GLU N N 21 121.600 124.516 -2.916 1
2 168 . 14 1 1 A 22 22 GLN H H 22 8.470 8.030 0.440 1
2 169 . 14 1 1 A 22 22 GLN HA H 22 4.540 4.058 0.482 1
2 174 . 14 1 1 A 22 22 GLN C C 22 176.700 176.637 0.063 1
2 175 . 14 1 1 A 22 22 GLN CA C 22 56.700 58.936 -2.236 1
2 176 . 14 1 1 A 22 22 GLN CB C 22 28.000 28.840 -0.840 1
2 178 . 14 1 1 A 22 22 GLN N N 22 113.600 119.337 -5.737 1
2 180 . 14 1 1 A 23 23 GLU H H 23 7.730 7.797 -0.067 1
2 181 . 14 1 1 A 23 23 GLU HA H 23 5.340 4.552 0.788 1
2 184 . 14 1 1 A 23 23 GLU C C 23 174.700 175.849 -1.149 1
2 185 . 14 1 1 A 23 23 GLU CA C 23 55.600 57.086 -1.486 1
2 186 . 14 1 1 A 23 23 GLU CB C 23 32.400 30.766 1.634 1
2 187 . 14 1 1 A 23 23 GLU N N 23 120.200 118.862 1.338 1
2 188 . 14 1 1 A 24 24 LEU H H 24 7.900 8.627 -0.727 1
2 189 . 14 1 1 A 24 24 LEU HA H 24 4.680 5.251 -0.571 1
2 192 . 14 1 1 A 24 24 LEU C C 24 174.300 176.242 -1.942 1
2 193 . 14 1 1 A 24 24 LEU CA C 24 53.200 53.596 -0.396 1
2 194 . 14 1 1 A 24 24 LEU CB C 24 46.500 44.956 1.544 1
2 195 . 14 1 1 A 24 24 LEU N N 24 122.400 122.945 -0.545 1
2 196 . 14 1 1 A 25 25 ASP H H 25 7.640 8.834 -1.194 1
2 197 . 14 1 1 A 25 25 ASP HA H 25 5.160 5.190 -0.030 1
2 200 . 14 1 1 A 25 25 ASP C C 25 176.800 176.330 0.470 1
2 201 . 14 1 1 A 25 25 ASP CA C 25 54.200 53.435 0.765 1
2 202 . 14 1 1 A 25 25 ASP CB C 25 42.300 41.965 0.335 1
2 203 . 14 1 1 A 25 25 ASP N N 25 121.400 122.563 -1.163 1
2 204 . 14 1 1 A 26 26 ILE H H 26 8.930 8.746 0.184 1
2 205 . 14 1 1 A 26 26 ILE HA H 26 5.120 5.221 -0.101 1
2 207 . 14 1 1 A 26 26 ILE C C 26 175.200 174.146 1.054 1
2 208 . 14 1 1 A 26 26 ILE CA C 26 59.700 58.874 0.826 1
2 209 . 14 1 1 A 26 26 ILE CB C 26 42.400 42.031 0.369 1
2 210 . 14 1 1 A 26 26 ILE N N 26 115.600 119.239 -3.639 1
2 211 . 14 1 1 A 27 27 LYS H H 27 8.930 8.754 0.176 1
2 212 . 14 1 1 A 27 27 LYS HA H 27 5.090 4.800 0.290 1
2 215 . 14 1 1 A 27 27 LYS C C 27 175.300 174.650 0.650 1
2 216 . 14 1 1 A 27 27 LYS CA C 27 52.900 55.152 -2.252 1
2 217 . 14 1 1 A 27 27 LYS CB C 27 35.400 36.546 -1.146 1
2 218 . 14 1 1 A 27 27 LYS N N 27 123.000 121.638 1.362 1
2 219 . 14 1 1 A 28 28 LYS H H 28 8.990 8.615 0.375 1
2 220 . 14 1 1 A 28 28 LYS HA H 28 3.110 4.170 -1.060 1
2 222 . 14 1 1 A 28 28 LYS C C 28 177.000 177.293 -0.293 1
2 223 . 14 1 1 A 28 28 LYS CA C 28 59.200 58.340 0.860 1
2 224 . 14 1 1 A 28 28 LYS CB C 28 32.600 32.217 0.383 1
2 225 . 14 1 1 A 28 28 LYS N N 28 121.200 126.537 -5.337 1
2 226 . 14 1 1 A 29 29 ASN H H 29 8.700 8.902 -0.202 1
2 227 . 14 1 1 A 29 29 ASN HA H 29 4.180 4.195 -0.015 1
2 232 . 14 1 1 A 29 29 ASN C C 29 174.200 174.415 -0.215 1
2 233 . 14 1 1 A 29 29 ASN CA C 29 55.900 54.523 1.377 1
2 234 . 14 1 1 A 29 29 ASN CB C 29 37.400 37.419 -0.019 1
2 235 . 14 1 1 A 29 29 ASN N N 29 118.300 121.210 -2.910 1
2 237 . 14 1 1 A 30 30 GLU H H 30 8.660 7.439 1.221 1
2 238 . 14 1 1 A 30 30 GLU HA H 30 4.160 4.926 -0.766 1
2 241 . 14 1 1 A 30 30 GLU C C 30 175.200 175.104 0.096 1
2 242 . 14 1 1 A 30 30 GLU CA C 30 57.700 54.971 2.729 1
2 243 . 14 1 1 A 30 30 GLU CB C 30 31.800 32.596 -0.796 1
2 244 . 14 1 1 A 30 30 GLU N N 30 124.200 117.830 6.370 1
2 245 . 14 1 1 A 31 31 ARG H H 31 8.490 8.706 -0.216 1
2 246 . 14 1 1 A 31 31 ARG HA H 31 4.580 4.617 -0.037 1
2 250 . 14 1 1 A 31 31 ARG C C 31 175.000 175.501 -0.501 1
2 251 . 14 1 1 A 31 31 ARG CA C 31 56.200 55.981 0.219 1
2 252 . 14 1 1 A 31 31 ARG CB C 31 30.800 30.829 -0.029 1
2 253 . 14 1 1 A 31 31 ARG N N 31 125.000 126.582 -1.582 1
2 255 . 14 1 1 A 32 32 LEU H H 32 8.860 9.180 -0.320 1
2 256 . 14 1 1 A 32 32 LEU HA H 32 4.840 4.593 0.247 1
2 259 . 14 1 1 A 32 32 LEU C C 32 174.400 175.421 -1.021 1
2 260 . 14 1 1 A 32 32 LEU CA C 32 53.300 52.873 0.427 1
2 261 . 14 1 1 A 32 32 LEU CB C 32 46.300 45.359 0.941 1
2 262 . 14 1 1 A 32 32 LEU N N 32 125.600 125.048 0.552 1
2 263 . 14 1 1 A 33 33 TRP H H 33 9.160 8.648 0.512 1
2 264 . 14 1 1 A 33 33 TRP HA H 33 5.100 5.279 -0.179 1
2 268 . 14 1 1 A 33 33 TRP C C 33 176.000 175.573 0.427 1
2 269 . 14 1 1 A 33 33 TRP CA C 33 58.300 55.943 2.357 1
2 270 . 14 1 1 A 33 33 TRP CB C 33 31.000 30.462 0.538 1
2 271 . 14 1 1 A 33 33 TRP N N 33 121.000 120.792 0.208 1
2 273 . 14 1 1 A 34 34 LEU H H 34 9.130 8.502 0.628 1
2 274 . 14 1 1 A 34 34 LEU HA H 34 4.330 4.425 -0.095 1
2 277 . 14 1 1 A 34 34 LEU C C 34 175.400 176.029 -0.629 1
2 278 . 14 1 1 A 34 34 LEU CA C 34 55.600 55.682 -0.082 1
2 279 . 14 1 1 A 34 34 LEU CB C 34 43.700 42.420 1.280 1
2 280 . 14 1 1 A 34 34 LEU N N 34 125.100 127.217 -2.117 1
2 281 . 14 1 1 A 35 35 LEU H H 35 9.020 9.118 -0.098 1
2 282 . 14 1 1 A 35 35 LEU HA H 35 4.620 4.318 0.302 1
2 285 . 14 1 1 A 35 35 LEU C C 35 177.400 176.476 0.924 1
2 286 . 14 1 1 A 35 35 LEU CA C 35 55.400 56.306 -0.906 1
2 287 . 14 1 1 A 35 35 LEU CB C 35 42.600 42.289 0.311 1
2 288 . 14 1 1 A 35 35 LEU N N 35 126.300 127.927 -1.627 1
2 289 . 14 1 1 A 36 36 ASP H H 36 7.460 7.771 -0.311 1
2 290 . 14 1 1 A 36 36 ASP HA H 36 4.760 4.976 -0.216 1
2 293 . 14 1 1 A 36 36 ASP C C 36 175.000 175.389 -0.389 1
2 294 . 14 1 1 A 36 36 ASP CA C 36 55.200 52.910 2.290 1
2 295 . 14 1 1 A 36 36 ASP CB C 36 43.400 42.681 0.719 1
2 296 . 14 1 1 A 36 36 ASP N N 36 115.400 116.525 -1.125 1
2 297 . 14 1 1 A 37 37 ASP H H 37 8.330 8.364 -0.034 1
2 298 . 14 1 1 A 37 37 ASP HA H 37 3.940 4.617 -0.677 1
2 301 . 14 1 1 A 37 37 ASP C C 37 176.400 176.786 -0.386 1
2 302 . 14 1 1 A 37 37 ASP CA C 37 52.200 52.372 -0.172 1
2 303 . 14 1 1 A 37 37 ASP CB C 37 39.900 39.519 0.381 1
2 304 . 14 1 1 A 37 37 ASP N N 37 128.400 123.136 5.264 1
2 305 . 14 1 1 A 38 38 SER H H 38 8.470 8.121 0.349 1
2 306 . 14 1 1 A 38 38 SER HA H 38 4.210 4.571 -0.361 1
2 309 . 14 1 1 A 38 38 SER C C 38 175.300 174.354 0.946 1
2 310 . 14 1 1 A 38 38 SER CA C 38 61.600 60.383 1.217 1
2 311 . 14 1 1 A 38 38 SER CB C 38 64.100 64.385 -0.285 1
2 312 . 14 1 1 A 38 38 SER N N 38 115.700 114.555 1.145 1
2 313 . 14 1 1 A 39 39 LYS H H 39 8.440 7.656 0.784 1
2 314 . 14 1 1 A 39 39 LYS HA H 39 4.910 4.436 0.474 1
2 317 . 14 1 1 A 39 39 LYS C C 39 175.900 177.929 -2.029 1
2 318 . 14 1 1 A 39 39 LYS CA C 39 55.000 56.041 -1.041 1
2 319 . 14 1 1 A 39 39 LYS CB C 39 34.300 33.558 0.742 1
2 320 . 14 1 1 A 39 39 LYS N N 39 122.300 119.904 2.396 1
2 321 . 14 1 1 A 40 40 SER H H 40 8.360 8.899 -0.539 1
2 322 . 14 1 1 A 40 40 SER HA H 40 4.310 4.181 0.129 1
2 325 . 14 1 1 A 40 40 SER C C 40 175.200 175.621 -0.421 1
2 326 . 14 1 1 A 40 40 SER CA C 40 60.900 62.582 -1.682 1
2 327 . 14 1 1 A 40 40 SER CB C 40 63.100 63.229 -0.129 1
2 328 . 14 1 1 A 40 40 SER N N 40 112.600 116.020 -3.420 1
2 329 . 14 1 1 A 41 41 TRP H H 41 7.440 8.161 -0.721 1
2 330 . 14 1 1 A 41 41 TRP HA H 41 4.840 4.835 0.005 1
2 334 . 14 1 1 A 41 41 TRP C C 41 175.500 176.748 -1.248 1
2 335 . 14 1 1 A 41 41 TRP CA C 41 56.800 57.222 -0.422 1
2 336 . 14 1 1 A 41 41 TRP CB C 41 29.600 30.021 -0.421 1
2 337 . 14 1 1 A 41 41 TRP N N 41 121.300 118.454 2.846 1
2 339 . 14 1 1 A 42 42 TRP H H 42 9.350 9.136 0.214 1
2 340 . 14 1 1 A 42 42 TRP HA H 42 5.440 5.151 0.289 1
2 344 . 14 1 1 A 42 42 TRP C C 42 175.000 176.007 -1.007 1
2 345 . 14 1 1 A 42 42 TRP CA C 42 54.300 57.356 -3.056 1
2 346 . 14 1 1 A 42 42 TRP CB C 42 30.800 29.553 1.247 1
2 347 . 14 1 1 A 42 42 TRP N N 42 125.400 124.906 0.494 1
2 349 . 14 1 1 A 43 43 ARG H H 43 8.810 9.287 -0.477 1
2 350 . 14 1 1 A 43 43 ARG HA H 43 4.530 4.575 -0.045 1
2 354 . 14 1 1 A 43 43 ARG C C 43 175.600 176.156 -0.556 1
2 355 . 14 1 1 A 43 43 ARG CA C 43 55.400 55.901 -0.501 1
2 356 . 14 1 1 A 43 43 ARG CB C 43 32.200 30.051 2.149 1
2 357 . 14 1 1 A 43 43 ARG N N 43 124.200 126.274 -2.074 1
2 359 . 14 1 1 A 44 44 VAL H H 44 9.210 8.786 0.424 1
2 360 . 14 1 1 A 44 44 VAL HA H 44 5.510 5.159 0.351 1
2 362 . 14 1 1 A 44 44 VAL C C 44 172.800 173.606 -0.806 1
2 363 . 14 1 1 A 44 44 VAL CA C 44 58.800 58.664 0.136 1
2 364 . 14 1 1 A 44 44 VAL CB C 44 36.600 36.063 0.537 1
2 365 . 14 1 1 A 44 44 VAL N N 44 121.400 119.569 1.831 1
2 366 . 14 1 1 A 45 45 ARG H H 45 9.260 9.195 0.065 1
2 367 . 14 1 1 A 45 45 ARG HA H 45 5.510 5.324 0.186 1
2 371 . 14 1 1 A 45 45 ARG C C 45 175.700 174.181 1.519 1
2 372 . 14 1 1 A 45 45 ARG CA C 45 53.700 53.847 -0.147 1
2 373 . 14 1 1 A 45 45 ARG CB C 45 35.400 33.878 1.522 1
2 374 . 14 1 1 A 45 45 ARG N N 45 120.000 121.721 -1.721 1
2 376 . 14 1 1 A 46 46 ASN H H 46 8.820 9.020 -0.200 1
2 377 . 14 1 1 A 46 46 ASN HA H 46 5.470 5.431 0.039 1
2 382 . 14 1 1 A 46 46 ASN C C 46 178.500 176.893 1.607 1
2 383 . 14 1 1 A 46 46 ASN CA C 46 50.600 51.317 -0.717 1
2 384 . 14 1 1 A 46 46 ASN CB C 46 41.000 41.759 -0.759 1
2 385 . 14 1 1 A 46 46 ASN N N 46 123.300 123.466 -0.166 1
2 387 . 14 1 1 A 47 47 SER H H 47 9.730 9.025 0.705 1
2 388 . 14 1 1 A 47 47 SER HA H 47 4.320 4.534 -0.214 1
2 391 . 14 1 1 A 47 47 SER C C 47 175.200 175.693 -0.493 1
2 392 . 14 1 1 A 47 47 SER CA C 47 61.500 61.710 -0.210 1
2 393 . 14 1 1 A 47 47 SER CB C 47 63.100 62.870 0.230 1
2 394 . 14 1 1 A 47 47 SER N N 47 115.000 119.098 -4.098 1
2 395 . 14 1 1 A 48 48 MET H H 48 7.650 8.030 -0.380 1
2 396 . 14 1 1 A 48 48 MET HA H 48 4.730 4.586 0.144 1
2 399 . 14 1 1 A 48 48 MET C C 48 175.800 176.191 -0.391 1
2 400 . 14 1 1 A 48 48 MET CA C 48 54.500 55.804 -1.304 1
2 401 . 14 1 1 A 48 48 MET CB C 48 31.600 33.298 -1.698 1
2 402 . 14 1 1 A 48 48 MET N N 48 120.300 119.274 1.026 1
2 403 . 14 1 1 A 49 49 ASN H H 49 8.430 8.223 0.207 1
2 404 . 14 1 1 A 49 49 ASN HA H 49 4.210 4.480 -0.270 1
2 409 . 14 1 1 A 49 49 ASN C C 49 174.200 174.289 -0.089 1
2 410 . 14 1 1 A 49 49 ASN CA C 49 54.900 54.361 0.539 1
2 411 . 14 1 1 A 49 49 ASN CB C 49 37.100 36.542 0.558 1
2 412 . 14 1 1 A 49 49 ASN N N 49 113.400 117.039 -3.639 1
2 414 . 14 1 1 A 50 50 LYS H H 50 8.090 7.845 0.245 1
2 415 . 14 1 1 A 50 50 LYS HA H 50 4.560 4.390 0.170 1
2 418 . 14 1 1 A 50 50 LYS C C 50 175.500 175.341 0.159 1
2 419 . 14 1 1 A 50 50 LYS CA C 50 55.600 56.490 -0.890 1
2 420 . 14 1 1 A 50 50 LYS CB C 50 33.300 34.139 -0.839 1
2 421 . 14 1 1 A 50 50 LYS N N 50 121.000 120.502 0.498 1
2 422 . 14 1 1 A 51 51 THR H H 51 8.310 8.674 -0.364 1
2 423 . 14 1 1 A 51 51 THR HA H 51 5.730 5.147 0.583 1
2 425 . 14 1 1 A 51 51 THR C C 51 174.600 173.803 0.797 1
2 426 . 14 1 1 A 51 51 THR CA C 51 59.300 60.140 -0.840 1
2 427 . 14 1 1 A 51 51 THR CB C 51 71.900 73.029 -1.129 1
2 428 . 14 1 1 A 51 51 THR N N 51 113.800 114.897 -1.097 1
2 429 . 14 1 1 A 52 52 GLY H H 52 8.630 8.134 0.496 1
2 430 . 14 1 1 A 52 52 GLY HA2 H 52 4.090 4.161 -0.071 1
2 431 . 14 1 1 A 52 52 GLY HA3 H 52 3.920 4.217 -0.297 1
2 432 . 14 1 1 A 52 52 GLY C C 52 170.500 171.442 -0.942 1
2 433 . 14 1 1 A 52 52 GLY CA C 52 45.600 45.559 0.041 1
2 434 . 14 1 1 A 52 52 GLY N N 52 107.900 110.233 -2.333 1
2 435 . 14 1 1 A 53 53 PHE H H 53 9.030 8.764 0.266 1
2 436 . 14 1 1 A 53 53 PHE HA H 53 5.850 5.179 0.671 1
2 439 . 14 1 1 A 53 53 PHE C C 53 176.400 175.977 0.423 1
2 440 . 14 1 1 A 53 53 PHE CA C 53 58.000 58.170 -0.170 1
2 441 . 14 1 1 A 53 53 PHE CB C 53 42.800 40.621 2.179 1
2 442 . 14 1 1 A 53 53 PHE N N 53 118.200 119.465 -1.265 1
2 443 . 14 1 1 A 54 54 VAL H H 54 9.150 9.273 -0.123 1
2 444 . 14 1 1 A 54 54 VAL HA H 54 4.790 5.188 -0.398 1
2 445 . 14 1 1 A 54 54 VAL CA C 54 57.600 58.281 -0.681 1
2 446 . 14 1 1 A 54 54 VAL CB C 54 33.300 34.573 -1.273 1
2 447 . 14 1 1 A 54 54 VAL N N 54 112.100 117.607 -5.507 1
2 448 . 14 1 1 A 57 57 ASN HA H 57 4.480 4.513 -0.033 1
2 453 . 14 1 1 A 57 57 ASN C C 57 175.500 175.830 -0.330 1
2 454 . 14 1 1 A 57 57 ASN CA C 57 53.900 54.270 -0.370 1
2 455 . 14 1 1 A 57 57 ASN CB C 57 36.600 38.709 -2.109 1
2 457 . 14 1 1 A 58 58 TYR H H 58 7.950 7.512 0.438 1
2 458 . 14 1 1 A 58 58 TYR HA H 58 4.460 4.670 -0.210 1
2 461 . 14 1 1 A 58 58 TYR C C 58 175.200 175.861 -0.661 1
2 462 . 14 1 1 A 58 58 TYR CA C 58 59.100 59.030 0.070 1
2 463 . 14 1 1 A 58 58 TYR CB C 58 38.100 40.298 -2.198 1
2 464 . 14 1 1 A 58 58 TYR N N 58 118.400 115.866 2.534 1
2 465 . 14 1 1 A 59 59 VAL H H 59 7.300 7.422 -0.122 1
2 466 . 14 1 1 A 59 59 VAL HA H 59 5.080 4.785 0.295 1
2 468 . 14 1 1 A 59 59 VAL C C 59 173.100 174.352 -1.252 1
2 469 . 14 1 1 A 59 59 VAL CA C 59 58.700 59.650 -0.950 1
2 470 . 14 1 1 A 59 59 VAL CB C 59 35.500 35.025 0.475 1
2 471 . 14 1 1 A 59 59 VAL N N 59 111.800 114.709 -2.909 1
2 472 . 14 1 1 A 60 60 GLU H H 60 8.680 8.750 -0.070 1
2 473 . 14 1 1 A 60 60 GLU HA H 60 4.790 4.680 0.110 1
2 476 . 14 1 1 A 60 60 GLU C C 60 175.600 175.295 0.305 1
2 477 . 14 1 1 A 60 60 GLU CA C 60 54.400 55.920 -1.520 1
2 478 . 14 1 1 A 60 60 GLU CB C 60 33.300 33.366 -0.066 1
2 479 . 14 1 1 A 60 60 GLU N N 60 118.900 120.859 -1.959 1
2 480 . 14 1 1 A 61 61 ARG H H 61 9.070 8.685 0.385 1
2 481 . 14 1 1 A 61 61 ARG HA H 61 4.540 4.493 0.047 1
2 485 . 14 1 1 A 61 61 ARG C C 61 175.900 175.971 -0.071 1
2 486 . 14 1 1 A 61 61 ARG CA C 61 56.500 56.298 0.202 1
2 487 . 14 1 1 A 61 61 ARG CB C 61 31.200 30.533 0.667 1
2 488 . 14 1 1 A 61 61 ARG N N 61 125.400 124.699 0.701 1
2 490 . 14 1 1 A 62 62 LYS H H 62 8.540 8.673 -0.133 1
2 491 . 14 1 1 A 62 62 LYS HA H 62 4.370 4.198 0.172 1
2 494 . 14 1 1 A 62 62 LYS C C 62 176.000 176.401 -0.401 1
2 495 . 14 1 1 A 62 62 LYS CA C 62 55.900 56.921 -1.021 1
2 496 . 14 1 1 A 62 62 LYS CB C 62 33.200 33.336 -0.136 1
2 497 . 14 1 1 A 62 62 LYS N N 62 124.400 123.013 1.387 1
2 498 . 14 1 1 A 63 63 ASN H H 63 8.650 8.615 0.035 1
2 499 . 14 1 1 A 63 63 ASN HA H 63 4.740 5.015 -0.275 1
2 504 . 14 1 1 A 63 63 ASN C C 63 175.300 175.297 0.003 1
2 505 . 14 1 1 A 63 63 ASN CA C 63 53.300 53.362 -0.062 1
2 506 . 14 1 1 A 63 63 ASN CB C 63 39.000 40.803 -1.803 1
2 507 . 14 1 1 A 63 63 ASN N N 63 121.200 118.775 2.425 1
2 509 . 14 1 1 A 64 64 SER H H 64 8.370 8.126 0.244 1
2 510 . 14 1 1 A 64 64 SER HA H 64 4.420 4.519 -0.099 1
2 513 . 14 1 1 A 64 64 SER C C 64 174.300 173.011 1.289 1
2 514 . 14 1 1 A 64 64 SER CA C 64 58.400 58.484 -0.084 1
2 515 . 14 1 1 A 64 64 SER CB C 64 63.900 61.086 2.814 1
2 516 . 14 1 1 A 64 64 SER N N 64 116.900 115.311 1.589 1
2 517 . 14 1 1 A 65 65 ALA H H 65 8.370 8.436 -0.066 1
2 518 . 14 1 1 A 65 65 ALA HA H 65 4.330 4.728 -0.398 1
2 522 . 14 1 1 A 65 65 ALA C C 65 177.800 176.321 1.479 1
2 523 . 14 1 1 A 65 65 ALA CA C 65 52.700 50.938 1.762 1
2 524 . 14 1 1 A 65 65 ALA CB C 65 19.300 19.191 0.109 1
2 525 . 14 1 1 A 65 65 ALA N N 65 126.000 128.884 -2.884 1
2 526 . 14 1 1 A 66 66 ARG H H 66 8.230 8.179 0.051 1
2 527 . 14 1 1 A 66 66 ARG HA H 66 4.300 4.810 -0.510 1
2 531 . 14 1 1 A 66 66 ARG C C 66 176.100 176.210 -0.110 1
2 532 . 14 1 1 A 66 66 ARG CA C 66 56.000 54.073 1.927 1
2 533 . 14 1 1 A 66 66 ARG CB C 66 30.800 34.178 -3.378 1
2 534 . 14 1 1 A 66 66 ARG N N 66 120.400 121.511 -1.111 1
2 536 . 14 1 1 A 67 67 ALA H H 67 8.290 8.864 -0.574 1
2 537 . 14 1 1 A 67 67 ALA HA H 67 4.290 4.054 0.236 1
2 541 . 14 1 1 A 67 67 ALA C C 67 177.600 179.633 -2.033 1
2 542 . 14 1 1 A 67 67 ALA CA C 67 52.500 55.144 -2.644 1
2 543 . 14 1 1 A 67 67 ALA CB C 67 19.200 18.004 1.196 1
2 544 . 14 1 1 A 67 67 ALA N N 67 125.700 124.585 1.115 1
2 545 . 14 1 1 A 68 68 ALA H H 68 8.270 8.108 0.162 1
2 546 . 14 1 1 A 68 68 ALA HA H 68 4.290 4.076 0.214 1
2 550 . 14 1 1 A 68 68 ALA C C 68 178.600 179.207 -0.607 1
2 551 . 14 1 1 A 68 68 ALA CA C 68 52.400 55.224 -2.824 1
2 552 . 14 1 1 A 68 68 ALA CB C 68 19.200 18.330 0.870 1
2 553 . 14 1 1 A 68 68 ALA N N 68 123.100 119.351 3.749 1
2 554 . 14 1 1 A 69 69 ALA H H 69 8.260 7.495 0.765 1
2 555 . 14 1 1 A 69 69 ALA HA H 69 4.300 4.182 0.118 1
2 559 . 14 1 1 A 69 69 ALA C C 69 177.600 177.506 0.094 1
2 560 . 14 1 1 A 69 69 ALA CA C 69 52.500 53.018 -0.518 1
2 561 . 14 1 1 A 69 69 ALA CB C 69 19.200 19.182 0.018 1
2 562 . 14 1 1 A 69 69 ALA N N 69 123.500 120.650 2.850 1
2 563 . 14 1 1 A 70 70 ASN H H 70 8.390 8.697 -0.307 1
2 564 . 14 1 1 A 70 70 ASN HA H 70 4.750 4.698 0.052 1
2 567 . 14 1 1 A 70 70 ASN C C 70 175.200 174.853 0.347 1
2 568 . 14 1 1 A 70 70 ASN CA C 70 53.300 53.951 -0.651 1
2 569 . 14 1 1 A 70 70 ASN CB C 70 39.000 38.536 0.464 1
2 570 . 14 1 1 A 70 70 ASN N N 70 117.500 123.711 -6.211 1
2 571 . 14 1 1 A 71 71 SER H H 71 8.240 8.414 -0.174 1
2 572 . 14 1 1 A 71 71 SER HA H 71 4.520 5.231 -0.711 1
2 575 . 14 1 1 A 71 71 SER C C 71 173.700 173.230 0.470 1
2 576 . 14 1 1 A 71 71 SER CA C 71 58.400 57.006 1.394 1
2 577 . 14 1 1 A 71 71 SER CB C 71 64.200 65.576 -1.376 1
2 578 . 14 1 1 A 71 71 SER N N 71 116.200 120.065 -3.865 1
2 5 . 15 1 1 A 2 2 SER H H 2 8.720 9.276 -0.556 1
2 6 . 15 1 1 A 2 2 SER HA H 2 4.600 4.921 -0.321 1
2 9 . 15 1 1 A 2 2 SER C C 2 174.800 173.696 1.104 1
2 10 . 15 1 1 A 2 2 SER CA C 2 58.300 57.928 0.372 1
2 11 . 15 1 1 A 2 2 SER CB C 2 64.000 63.645 0.355 1
2 12 . 15 1 1 A 2 2 SER N N 2 115.900 120.937 -5.037 1
2 13 . 15 1 1 A 3 3 THR H H 3 8.340 8.377 -0.037 1
2 14 . 15 1 1 A 3 3 THR HA H 3 4.390 4.247 0.143 1
2 16 . 15 1 1 A 3 3 THR C C 3 174.600 175.350 -0.750 1
2 17 . 15 1 1 A 3 3 THR CA C 3 62.000 63.274 -1.274 1
2 18 . 15 1 1 A 3 3 THR CB C 3 69.800 69.228 0.572 1
2 19 . 15 1 1 A 3 3 THR N N 3 116.100 121.325 -5.225 1
2 20 . 15 1 1 A 4 4 MET H H 4 8.430 8.497 -0.067 1
2 21 . 15 1 1 A 4 4 MET HA H 4 4.460 4.366 0.094 1
2 24 . 15 1 1 A 4 4 MET C C 4 175.800 176.892 -1.092 1
2 25 . 15 1 1 A 4 4 MET CA C 4 55.600 56.272 -0.672 1
2 26 . 15 1 1 A 4 4 MET CB C 4 33.000 33.377 -0.377 1
2 27 . 15 1 1 A 4 4 MET N N 4 122.900 123.496 -0.596 1
2 28 . 15 1 1 A 5 5 ALA H H 5 8.330 8.956 -0.626 1
2 29 . 15 1 1 A 5 5 ALA HA H 5 4.310 4.047 0.263 1
2 33 . 15 1 1 A 5 5 ALA C C 5 177.500 177.723 -0.223 1
2 34 . 15 1 1 A 5 5 ALA CA C 5 52.600 55.396 -2.796 1
2 35 . 15 1 1 A 5 5 ALA CB C 5 19.200 18.979 0.221 1
2 36 . 15 1 1 A 5 5 ALA N N 5 125.600 125.043 0.557 1
2 37 . 15 1 1 A 6 6 GLU H H 6 8.220 8.127 0.093 1
2 38 . 15 1 1 A 6 6 GLU HA H 6 4.310 3.976 0.334 1
2 41 . 15 1 1 A 6 6 GLU C C 6 176.200 175.015 1.185 1
2 42 . 15 1 1 A 6 6 GLU CA C 6 56.100 57.320 -1.220 1
2 43 . 15 1 1 A 6 6 GLU CB C 6 30.600 28.372 2.228 1
2 44 . 15 1 1 A 6 6 GLU N N 6 119.900 117.493 2.407 1
2 45 . 15 1 1 A 7 7 GLU H H 7 8.450 7.644 0.806 1
2 46 . 15 1 1 A 7 7 GLU HA H 7 4.440 4.996 -0.556 1
2 49 . 15 1 1 A 7 7 GLU C C 7 176.000 174.507 1.493 1
2 50 . 15 1 1 A 7 7 GLU CA C 7 56.500 54.666 1.834 1
2 51 . 15 1 1 A 7 7 GLU CB C 7 30.700 33.339 -2.639 1
2 52 . 15 1 1 A 7 7 GLU N N 7 122.400 117.539 4.861 1
2 53 . 15 1 1 A 8 8 VAL H H 8 8.490 8.471 0.019 1
2 54 . 15 1 1 A 8 8 VAL HA H 8 4.210 4.799 -0.589 1
2 56 . 15 1 1 A 8 8 VAL C C 8 175.900 174.510 1.390 1
2 57 . 15 1 1 A 8 8 VAL CA C 8 62.200 61.373 0.827 1
2 58 . 15 1 1 A 8 8 VAL CB C 8 33.300 33.591 -0.291 1
2 59 . 15 1 1 A 8 8 VAL N N 8 123.400 120.059 3.341 1
2 60 . 15 1 1 A 9 9 VAL H H 9 8.360 9.063 -0.703 1
2 61 . 15 1 1 A 9 9 VAL HA H 9 4.430 5.073 -0.643 1
2 63 . 15 1 1 A 9 9 VAL C C 9 176.300 174.309 1.991 1
2 64 . 15 1 1 A 9 9 VAL CA C 9 61.700 59.809 1.891 1
2 65 . 15 1 1 A 9 9 VAL CB C 9 33.000 35.201 -2.201 1
2 66 . 15 1 1 A 9 9 VAL N N 9 126.800 126.864 -0.064 1
2 67 . 15 1 1 A 10 10 VAL H H 10 8.900 9.381 -0.481 1
2 68 . 15 1 1 A 10 10 VAL HA H 10 4.980 5.256 -0.276 1
2 70 . 15 1 1 A 10 10 VAL C C 10 173.400 173.801 -0.401 1
2 71 . 15 1 1 A 10 10 VAL CA C 10 58.300 59.326 -1.026 1
2 72 . 15 1 1 A 10 10 VAL CB C 10 35.100 35.205 -0.105 1
2 73 . 15 1 1 A 10 10 VAL N N 10 119.700 122.802 -3.102 1
2 74 . 15 1 1 A 11 11 VAL H H 11 8.550 9.073 -0.523 1
2 75 . 15 1 1 A 11 11 VAL HA H 11 5.000 4.706 0.294 1
2 77 . 15 1 1 A 11 11 VAL C C 11 176.700 174.898 1.802 1
2 78 . 15 1 1 A 11 11 VAL CA C 11 59.600 59.712 -0.112 1
2 79 . 15 1 1 A 11 11 VAL CB C 11 35.100 34.108 0.992 1
2 80 . 15 1 1 A 11 11 VAL N N 11 118.700 124.770 -6.070 1
2 81 . 15 1 1 A 12 12 ALA H H 12 8.770 9.089 -0.319 1
2 82 . 15 1 1 A 12 12 ALA HA H 12 4.580 4.771 -0.191 1
2 86 . 15 1 1 A 12 12 ALA C C 12 178.600 177.036 1.564 1
2 87 . 15 1 1 A 12 12 ALA CA C 12 52.800 51.553 1.247 1
2 88 . 15 1 1 A 12 12 ALA CB C 12 19.900 19.447 0.453 1
2 89 . 15 1 1 A 12 12 ALA N N 12 128.500 129.602 -1.102 1
2 90 . 15 1 1 A 13 13 LYS H H 13 9.370 9.312 0.058 1
2 91 . 15 1 1 A 13 13 LYS HA H 13 3.850 4.357 -0.507 1
2 94 . 15 1 1 A 13 13 LYS C C 13 174.700 176.448 -1.748 1
2 95 . 15 1 1 A 13 13 LYS CA C 13 57.300 56.640 0.660 1
2 96 . 15 1 1 A 13 13 LYS CB C 13 33.800 34.151 -0.351 1
2 97 . 15 1 1 A 13 13 LYS N N 13 126.700 121.924 4.776 1
2 98 . 15 1 1 A 14 14 PHE H H 14 7.140 7.921 -0.781 1
2 99 . 15 1 1 A 14 14 PHE HA H 14 4.800 5.251 -0.451 1
2 102 . 15 1 1 A 14 14 PHE C C 14 173.600 175.082 -1.482 1
2 103 . 15 1 1 A 14 14 PHE CA C 14 53.700 56.898 -3.198 1
2 104 . 15 1 1 A 14 14 PHE CB C 14 43.700 43.264 0.436 1
2 105 . 15 1 1 A 14 14 PHE N N 14 111.600 116.405 -4.805 1
2 106 . 15 1 1 A 15 15 ASP H H 15 8.360 8.927 -0.567 1
2 107 . 15 1 1 A 15 15 ASP HA H 15 4.790 5.157 -0.367 1
2 110 . 15 1 1 A 15 15 ASP C C 15 176.400 175.089 1.311 1
2 111 . 15 1 1 A 15 15 ASP CA C 15 54.700 53.721 0.979 1
2 112 . 15 1 1 A 15 15 ASP CB C 15 41.600 41.934 -0.334 1
2 113 . 15 1 1 A 15 15 ASP N N 15 117.400 121.208 -3.808 1
2 114 . 15 1 1 A 16 16 TYR H H 16 8.860 8.916 -0.056 1
2 115 . 15 1 1 A 16 16 TYR HA H 16 4.750 5.234 -0.484 1
2 118 . 15 1 1 A 16 16 TYR C C 16 173.700 173.638 0.062 1
2 119 . 15 1 1 A 16 16 TYR CA C 16 59.500 56.857 2.643 1
2 120 . 15 1 1 A 16 16 TYR CB C 16 41.500 42.248 -0.748 1
2 121 . 15 1 1 A 16 16 TYR N N 16 121.000 123.758 -2.758 1
2 122 . 15 1 1 A 17 17 VAL H H 17 7.180 8.344 -1.164 1
2 123 . 15 1 1 A 17 17 VAL HA H 17 4.150 4.203 -0.053 1
2 125 . 15 1 1 A 17 17 VAL C C 17 174.500 175.310 -0.810 1
2 126 . 15 1 1 A 17 17 VAL CA C 17 60.600 60.825 -0.225 1
2 127 . 15 1 1 A 17 17 VAL CB C 17 32.300 32.811 -0.511 1
2 128 . 15 1 1 A 17 17 VAL N N 17 129.100 123.776 5.324 1
2 129 . 15 1 1 A 18 18 ALA H H 18 8.640 8.315 0.325 1
2 130 . 15 1 1 A 18 18 ALA HA H 18 4.230 4.716 -0.486 1
2 134 . 15 1 1 A 18 18 ALA C C 18 179.100 177.799 1.301 1
2 135 . 15 1 1 A 18 18 ALA CA C 18 53.300 51.626 1.674 1
2 136 . 15 1 1 A 18 18 ALA CB C 18 19.900 18.265 1.635 1
2 137 . 15 1 1 A 18 18 ALA N N 18 128.900 131.352 -2.452 1
2 138 . 15 1 1 A 19 19 GLN H H 19 9.080 8.128 0.952 1
2 139 . 15 1 1 A 19 19 GLN HA H 19 4.320 3.942 0.378 1
2 144 . 15 1 1 A 19 19 GLN C C 19 175.500 177.097 -1.597 1
2 145 . 15 1 1 A 19 19 GLN CA C 19 55.100 59.422 -4.322 1
2 146 . 15 1 1 A 19 19 GLN CB C 19 31.200 28.604 2.596 1
2 148 . 15 1 1 A 19 19 GLN N N 19 120.400 124.463 -4.063 1
2 150 . 15 1 1 A 20 20 GLN H H 20 7.220 7.942 -0.722 1
2 151 . 15 1 1 A 20 20 GLN HA H 20 4.590 4.299 0.291 1
2 156 . 15 1 1 A 20 20 GLN C C 20 176.800 177.278 -0.478 1
2 157 . 15 1 1 A 20 20 GLN CA C 20 53.900 55.648 -1.748 1
2 158 . 15 1 1 A 20 20 GLN CB C 20 32.400 29.376 3.024 1
2 159 . 15 1 1 A 20 20 GLN N N 20 114.500 117.692 -3.192 1
2 161 . 15 1 1 A 21 21 GLU H H 21 8.980 8.892 0.088 1
2 162 . 15 1 1 A 21 21 GLU HA H 21 4.090 4.072 0.018 1
2 164 . 15 1 1 A 21 21 GLU C C 21 176.900 179.007 -2.107 1
2 165 . 15 1 1 A 21 21 GLU CA C 21 59.500 58.851 0.649 1
2 166 . 15 1 1 A 21 21 GLU CB C 21 29.700 29.096 0.604 1
2 167 . 15 1 1 A 21 21 GLU N N 21 121.600 123.619 -2.019 1
2 168 . 15 1 1 A 22 22 GLN H H 22 8.470 7.973 0.497 1
2 169 . 15 1 1 A 22 22 GLN HA H 22 4.540 4.072 0.468 1
2 174 . 15 1 1 A 22 22 GLN C C 22 176.700 176.613 0.087 1
2 175 . 15 1 1 A 22 22 GLN CA C 22 56.700 58.938 -2.238 1
2 176 . 15 1 1 A 22 22 GLN CB C 22 28.000 28.357 -0.357 1
2 178 . 15 1 1 A 22 22 GLN N N 22 113.600 119.291 -5.691 1
2 180 . 15 1 1 A 23 23 GLU H H 23 7.730 7.776 -0.046 1
2 181 . 15 1 1 A 23 23 GLU HA H 23 5.340 4.555 0.785 1
2 184 . 15 1 1 A 23 23 GLU C C 23 174.700 175.530 -0.830 1
2 185 . 15 1 1 A 23 23 GLU CA C 23 55.600 57.023 -1.423 1
2 186 . 15 1 1 A 23 23 GLU CB C 23 32.400 30.706 1.694 1
2 187 . 15 1 1 A 23 23 GLU N N 23 120.200 119.222 0.978 1
2 188 . 15 1 1 A 24 24 LEU H H 24 7.900 8.707 -0.807 1
2 189 . 15 1 1 A 24 24 LEU HA H 24 4.680 5.352 -0.672 1
2 192 . 15 1 1 A 24 24 LEU C C 24 174.300 176.267 -1.967 1
2 193 . 15 1 1 A 24 24 LEU CA C 24 53.200 53.571 -0.371 1
2 194 . 15 1 1 A 24 24 LEU CB C 24 46.500 45.296 1.204 1
2 195 . 15 1 1 A 24 24 LEU N N 24 122.400 123.622 -1.222 1
2 196 . 15 1 1 A 25 25 ASP H H 25 7.640 8.855 -1.215 1
2 197 . 15 1 1 A 25 25 ASP HA H 25 5.160 5.208 -0.048 1
2 200 . 15 1 1 A 25 25 ASP C C 25 176.800 176.302 0.498 1
2 201 . 15 1 1 A 25 25 ASP CA C 25 54.200 53.700 0.500 1
2 202 . 15 1 1 A 25 25 ASP CB C 25 42.300 41.543 0.757 1
2 203 . 15 1 1 A 25 25 ASP N N 25 121.400 122.884 -1.484 1
2 204 . 15 1 1 A 26 26 ILE H H 26 8.930 8.730 0.200 1
2 205 . 15 1 1 A 26 26 ILE HA H 26 5.120 5.262 -0.142 1
2 207 . 15 1 1 A 26 26 ILE C C 26 175.200 174.150 1.050 1
2 208 . 15 1 1 A 26 26 ILE CA C 26 59.700 58.876 0.824 1
2 209 . 15 1 1 A 26 26 ILE CB C 26 42.400 42.177 0.223 1
2 210 . 15 1 1 A 26 26 ILE N N 26 115.600 119.222 -3.622 1
2 211 . 15 1 1 A 27 27 LYS H H 27 8.930 8.748 0.182 1
2 212 . 15 1 1 A 27 27 LYS HA H 27 5.090 4.801 0.289 1
2 215 . 15 1 1 A 27 27 LYS C C 27 175.300 174.657 0.643 1
2 216 . 15 1 1 A 27 27 LYS CA C 27 52.900 55.122 -2.222 1
2 217 . 15 1 1 A 27 27 LYS CB C 27 35.400 36.580 -1.180 1
2 218 . 15 1 1 A 27 27 LYS N N 27 123.000 121.618 1.382 1
2 219 . 15 1 1 A 28 28 LYS H H 28 8.990 8.599 0.391 1
2 220 . 15 1 1 A 28 28 LYS HA H 28 3.110 3.906 -0.796 1
2 222 . 15 1 1 A 28 28 LYS C C 28 177.000 177.255 -0.255 1
2 223 . 15 1 1 A 28 28 LYS CA C 28 59.200 58.291 0.909 1
2 224 . 15 1 1 A 28 28 LYS CB C 28 32.600 32.042 0.558 1
2 225 . 15 1 1 A 28 28 LYS N N 28 121.200 126.577 -5.377 1
2 226 . 15 1 1 A 29 29 ASN H H 29 8.700 8.703 -0.003 1
2 227 . 15 1 1 A 29 29 ASN HA H 29 4.180 4.337 -0.157 1
2 232 . 15 1 1 A 29 29 ASN C C 29 174.200 174.409 -0.209 1
2 233 . 15 1 1 A 29 29 ASN CA C 29 55.900 54.600 1.300 1
2 234 . 15 1 1 A 29 29 ASN CB C 29 37.400 37.042 0.358 1
2 235 . 15 1 1 A 29 29 ASN N N 29 118.300 119.842 -1.542 1
2 237 . 15 1 1 A 30 30 GLU H H 30 8.660 7.639 1.021 1
2 238 . 15 1 1 A 30 30 GLU HA H 30 4.160 4.684 -0.524 1
2 241 . 15 1 1 A 30 30 GLU C C 30 175.200 175.389 -0.189 1
2 242 . 15 1 1 A 30 30 GLU CA C 30 57.700 55.289 2.411 1
2 243 . 15 1 1 A 30 30 GLU CB C 30 31.800 31.761 0.039 1
2 244 . 15 1 1 A 30 30 GLU N N 30 124.200 117.806 6.394 1
2 245 . 15 1 1 A 31 31 ARG H H 31 8.490 8.732 -0.242 1
2 246 . 15 1 1 A 31 31 ARG HA H 31 4.580 4.486 0.094 1
2 250 . 15 1 1 A 31 31 ARG C C 31 175.000 175.866 -0.866 1
2 251 . 15 1 1 A 31 31 ARG CA C 31 56.200 55.972 0.228 1
2 252 . 15 1 1 A 31 31 ARG CB C 31 30.800 30.525 0.275 1
2 253 . 15 1 1 A 31 31 ARG N N 31 125.000 126.756 -1.756 1
2 255 . 15 1 1 A 32 32 LEU H H 32 8.860 8.977 -0.117 1
2 256 . 15 1 1 A 32 32 LEU HA H 32 4.840 4.655 0.185 1
2 259 . 15 1 1 A 32 32 LEU C C 32 174.400 175.500 -1.100 1
2 260 . 15 1 1 A 32 32 LEU CA C 32 53.300 53.510 -0.210 1
2 261 . 15 1 1 A 32 32 LEU CB C 32 46.300 45.503 0.797 1
2 262 . 15 1 1 A 32 32 LEU N N 32 125.600 124.295 1.305 1
2 263 . 15 1 1 A 33 33 TRP H H 33 9.160 8.578 0.582 1
2 264 . 15 1 1 A 33 33 TRP HA H 33 5.100 5.116 -0.016 1
2 268 . 15 1 1 A 33 33 TRP C C 33 176.000 175.915 0.085 1
2 269 . 15 1 1 A 33 33 TRP CA C 33 58.300 56.739 1.561 1
2 270 . 15 1 1 A 33 33 TRP CB C 33 31.000 31.040 -0.040 1
2 271 . 15 1 1 A 33 33 TRP N N 33 121.000 124.396 -3.396 1
2 273 . 15 1 1 A 34 34 LEU H H 34 9.130 9.091 0.039 1
2 274 . 15 1 1 A 34 34 LEU HA H 34 4.330 4.567 -0.237 1
2 277 . 15 1 1 A 34 34 LEU C C 34 175.400 175.884 -0.484 1
2 278 . 15 1 1 A 34 34 LEU CA C 34 55.600 54.741 0.859 1
2 279 . 15 1 1 A 34 34 LEU CB C 34 43.700 42.568 1.132 1
2 280 . 15 1 1 A 34 34 LEU N N 34 125.100 126.319 -1.219 1
2 281 . 15 1 1 A 35 35 LEU H H 35 9.020 8.975 0.045 1
2 282 . 15 1 1 A 35 35 LEU HA H 35 4.620 4.376 0.244 1
2 285 . 15 1 1 A 35 35 LEU C C 35 177.400 176.722 0.678 1
2 286 . 15 1 1 A 35 35 LEU CA C 35 55.400 55.998 -0.598 1
2 287 . 15 1 1 A 35 35 LEU CB C 35 42.600 42.616 -0.016 1
2 288 . 15 1 1 A 35 35 LEU N N 35 126.300 128.090 -1.790 1
2 289 . 15 1 1 A 36 36 ASP H H 36 7.460 7.527 -0.067 1
2 290 . 15 1 1 A 36 36 ASP HA H 36 4.760 5.022 -0.262 1
2 293 . 15 1 1 A 36 36 ASP C C 36 175.000 175.128 -0.128 1
2 294 . 15 1 1 A 36 36 ASP CA C 36 55.200 53.279 1.921 1
2 295 . 15 1 1 A 36 36 ASP CB C 36 43.400 42.617 0.783 1
2 296 . 15 1 1 A 36 36 ASP N N 36 115.400 117.219 -1.819 1
2 297 . 15 1 1 A 37 37 ASP H H 37 8.330 8.400 -0.070 1
2 298 . 15 1 1 A 37 37 ASP HA H 37 3.940 4.794 -0.854 1
2 301 . 15 1 1 A 37 37 ASP C C 37 176.400 176.958 -0.558 1
2 302 . 15 1 1 A 37 37 ASP CA C 37 52.200 52.494 -0.294 1
2 303 . 15 1 1 A 37 37 ASP CB C 37 39.900 39.668 0.232 1
2 304 . 15 1 1 A 37 37 ASP N N 37 128.400 123.570 4.830 1
2 305 . 15 1 1 A 38 38 SER H H 38 8.470 8.148 0.322 1
2 306 . 15 1 1 A 38 38 SER HA H 38 4.210 4.535 -0.325 1
2 309 . 15 1 1 A 38 38 SER C C 38 175.300 174.570 0.730 1
2 310 . 15 1 1 A 38 38 SER CA C 38 61.600 60.774 0.826 1
2 311 . 15 1 1 A 38 38 SER CB C 38 64.100 64.225 -0.125 1
2 312 . 15 1 1 A 38 38 SER N N 38 115.700 114.874 0.826 1
2 313 . 15 1 1 A 39 39 LYS H H 39 8.440 7.661 0.779 1
2 314 . 15 1 1 A 39 39 LYS HA H 39 4.910 4.448 0.462 1
2 317 . 15 1 1 A 39 39 LYS C C 39 175.900 177.692 -1.792 1
2 318 . 15 1 1 A 39 39 LYS CA C 39 55.000 56.010 -1.010 1
2 319 . 15 1 1 A 39 39 LYS CB C 39 34.300 33.340 0.960 1
2 320 . 15 1 1 A 39 39 LYS N N 39 122.300 120.740 1.560 1
2 321 . 15 1 1 A 40 40 SER H H 40 8.360 8.896 -0.536 1
2 322 . 15 1 1 A 40 40 SER HA H 40 4.310 4.202 0.108 1
2 325 . 15 1 1 A 40 40 SER C C 40 175.200 174.385 0.815 1
2 326 . 15 1 1 A 40 40 SER CA C 40 60.900 61.835 -0.935 1
2 327 . 15 1 1 A 40 40 SER CB C 40 63.100 63.225 -0.125 1
2 328 . 15 1 1 A 40 40 SER N N 40 112.600 117.937 -5.337 1
2 329 . 15 1 1 A 41 41 TRP H H 41 7.440 8.121 -0.681 1
2 330 . 15 1 1 A 41 41 TRP HA H 41 4.840 4.820 0.020 1
2 334 . 15 1 1 A 41 41 TRP C C 41 175.500 176.499 -0.999 1
2 335 . 15 1 1 A 41 41 TRP CA C 41 56.800 56.653 0.147 1
2 336 . 15 1 1 A 41 41 TRP CB C 41 29.600 29.879 -0.279 1
2 337 . 15 1 1 A 41 41 TRP N N 41 121.300 119.183 2.117 1
2 339 . 15 1 1 A 42 42 TRP H H 42 9.350 9.148 0.202 1
2 340 . 15 1 1 A 42 42 TRP HA H 42 5.440 5.156 0.284 1
2 344 . 15 1 1 A 42 42 TRP C C 42 175.000 176.203 -1.203 1
2 345 . 15 1 1 A 42 42 TRP CA C 42 54.300 57.300 -3.000 1
2 346 . 15 1 1 A 42 42 TRP CB C 42 30.800 29.616 1.184 1
2 347 . 15 1 1 A 42 42 TRP N N 42 125.400 124.956 0.444 1
2 349 . 15 1 1 A 43 43 ARG H H 43 8.810 9.378 -0.568 1
2 350 . 15 1 1 A 43 43 ARG HA H 43 4.530 4.813 -0.283 1
2 354 . 15 1 1 A 43 43 ARG C C 43 175.600 176.194 -0.594 1
2 355 . 15 1 1 A 43 43 ARG CA C 43 55.400 56.108 -0.708 1
2 356 . 15 1 1 A 43 43 ARG CB C 43 32.200 30.350 1.850 1
2 357 . 15 1 1 A 43 43 ARG N N 43 124.200 125.986 -1.786 1
2 359 . 15 1 1 A 44 44 VAL H H 44 9.210 8.827 0.383 1
2 360 . 15 1 1 A 44 44 VAL HA H 44 5.510 5.381 0.129 1
2 362 . 15 1 1 A 44 44 VAL C C 44 172.800 174.018 -1.218 1
2 363 . 15 1 1 A 44 44 VAL CA C 44 58.800 58.724 0.076 1
2 364 . 15 1 1 A 44 44 VAL CB C 44 36.600 36.110 0.490 1
2 365 . 15 1 1 A 44 44 VAL N N 44 121.400 119.350 2.050 1
2 366 . 15 1 1 A 45 45 ARG H H 45 9.260 9.218 0.042 1
2 367 . 15 1 1 A 45 45 ARG HA H 45 5.510 5.376 0.134 1
2 371 . 15 1 1 A 45 45 ARG C C 45 175.700 174.053 1.647 1
2 372 . 15 1 1 A 45 45 ARG CA C 45 53.700 53.767 -0.067 1
2 373 . 15 1 1 A 45 45 ARG CB C 45 35.400 34.130 1.270 1
2 374 . 15 1 1 A 45 45 ARG N N 45 120.000 121.415 -1.415 1
2 376 . 15 1 1 A 46 46 ASN H H 46 8.820 9.054 -0.234 1
2 377 . 15 1 1 A 46 46 ASN HA H 46 5.470 5.333 0.137 1
2 382 . 15 1 1 A 46 46 ASN C C 46 178.500 176.929 1.571 1
2 383 . 15 1 1 A 46 46 ASN CA C 46 50.600 51.475 -0.875 1
2 384 . 15 1 1 A 46 46 ASN CB C 46 41.000 41.523 -0.523 1
2 385 . 15 1 1 A 46 46 ASN N N 46 123.300 123.729 -0.429 1
2 387 . 15 1 1 A 47 47 SER H H 47 9.730 9.030 0.700 1
2 388 . 15 1 1 A 47 47 SER HA H 47 4.320 4.497 -0.177 1
2 391 . 15 1 1 A 47 47 SER C C 47 175.200 175.682 -0.482 1
2 392 . 15 1 1 A 47 47 SER CA C 47 61.500 61.809 -0.309 1
2 393 . 15 1 1 A 47 47 SER CB C 47 63.100 62.827 0.273 1
2 394 . 15 1 1 A 47 47 SER N N 47 115.000 119.775 -4.775 1
2 395 . 15 1 1 A 48 48 MET H H 48 7.650 7.675 -0.025 1
2 396 . 15 1 1 A 48 48 MET HA H 48 4.730 4.587 0.143 1
2 399 . 15 1 1 A 48 48 MET C C 48 175.800 176.212 -0.412 1
2 400 . 15 1 1 A 48 48 MET CA C 48 54.500 55.828 -1.328 1
2 401 . 15 1 1 A 48 48 MET CB C 48 31.600 33.267 -1.667 1
2 402 . 15 1 1 A 48 48 MET N N 48 120.300 119.182 1.118 1
2 403 . 15 1 1 A 49 49 ASN H H 49 8.430 8.574 -0.144 1
2 404 . 15 1 1 A 49 49 ASN HA H 49 4.210 4.518 -0.308 1
2 409 . 15 1 1 A 49 49 ASN C C 49 174.200 174.248 -0.048 1
2 410 . 15 1 1 A 49 49 ASN CA C 49 54.900 54.388 0.512 1
2 411 . 15 1 1 A 49 49 ASN CB C 49 37.100 36.563 0.537 1
2 412 . 15 1 1 A 49 49 ASN N N 49 113.400 117.100 -3.700 1
2 414 . 15 1 1 A 50 50 LYS H H 50 8.090 7.804 0.286 1
2 415 . 15 1 1 A 50 50 LYS HA H 50 4.560 4.300 0.260 1
2 418 . 15 1 1 A 50 50 LYS C C 50 175.500 175.713 -0.213 1
2 419 . 15 1 1 A 50 50 LYS CA C 50 55.600 56.644 -1.044 1
2 420 . 15 1 1 A 50 50 LYS CB C 50 33.300 33.398 -0.098 1
2 421 . 15 1 1 A 50 50 LYS N N 50 121.000 121.131 -0.131 1
2 422 . 15 1 1 A 51 51 THR H H 51 8.310 8.596 -0.286 1
2 423 . 15 1 1 A 51 51 THR HA H 51 5.730 5.440 0.290 1
2 425 . 15 1 1 A 51 51 THR C C 51 174.600 174.323 0.277 1
2 426 . 15 1 1 A 51 51 THR CA C 51 59.300 59.956 -0.656 1
2 427 . 15 1 1 A 51 51 THR CB C 51 71.900 72.228 -0.328 1
2 428 . 15 1 1 A 51 51 THR N N 51 113.800 117.660 -3.860 1
2 429 . 15 1 1 A 52 52 GLY H H 52 8.630 8.108 0.522 1
2 430 . 15 1 1 A 52 52 GLY HA2 H 52 4.090 4.253 -0.163 1
2 431 . 15 1 1 A 52 52 GLY HA3 H 52 3.920 4.321 -0.401 1
2 432 . 15 1 1 A 52 52 GLY C C 52 170.500 171.436 -0.936 1
2 433 . 15 1 1 A 52 52 GLY CA C 52 45.600 45.408 0.192 1
2 434 . 15 1 1 A 52 52 GLY N N 52 107.900 112.019 -4.119 1
2 435 . 15 1 1 A 53 53 PHE H H 53 9.030 8.678 0.352 1
2 436 . 15 1 1 A 53 53 PHE HA H 53 5.850 5.393 0.457 1
2 439 . 15 1 1 A 53 53 PHE C C 53 176.400 175.858 0.542 1
2 440 . 15 1 1 A 53 53 PHE CA C 53 58.000 57.537 0.463 1
2 441 . 15 1 1 A 53 53 PHE CB C 53 42.800 40.861 1.939 1
2 442 . 15 1 1 A 53 53 PHE N N 53 118.200 119.481 -1.281 1
2 443 . 15 1 1 A 54 54 VAL H H 54 9.150 9.291 -0.141 1
2 444 . 15 1 1 A 54 54 VAL HA H 54 4.790 5.226 -0.436 1
2 445 . 15 1 1 A 54 54 VAL CA C 54 57.600 58.297 -0.697 1
2 446 . 15 1 1 A 54 54 VAL CB C 54 33.300 34.703 -1.403 1
2 447 . 15 1 1 A 54 54 VAL N N 54 112.100 117.420 -5.320 1
2 448 . 15 1 1 A 57 57 ASN HA H 57 4.480 4.639 -0.159 1
2 453 . 15 1 1 A 57 57 ASN C C 57 175.500 175.902 -0.402 1
2 454 . 15 1 1 A 57 57 ASN CA C 57 53.900 53.789 0.111 1
2 455 . 15 1 1 A 57 57 ASN CB C 57 36.600 39.444 -2.844 1
2 457 . 15 1 1 A 58 58 TYR H H 58 7.950 8.057 -0.107 1
2 458 . 15 1 1 A 58 58 TYR HA H 58 4.460 4.758 -0.298 1
2 461 . 15 1 1 A 58 58 TYR C C 58 175.200 175.840 -0.640 1
2 462 . 15 1 1 A 58 58 TYR CA C 58 59.100 58.983 0.117 1
2 463 . 15 1 1 A 58 58 TYR CB C 58 38.100 40.158 -2.058 1
2 464 . 15 1 1 A 58 58 TYR N N 58 118.400 115.084 3.316 1
2 465 . 15 1 1 A 59 59 VAL H H 59 7.300 7.461 -0.161 1
2 466 . 15 1 1 A 59 59 VAL HA H 59 5.080 5.150 -0.070 1
2 468 . 15 1 1 A 59 59 VAL C C 59 173.100 174.444 -1.344 1
2 469 . 15 1 1 A 59 59 VAL CA C 59 58.700 59.396 -0.696 1
2 470 . 15 1 1 A 59 59 VAL CB C 59 35.500 34.862 0.638 1
2 471 . 15 1 1 A 59 59 VAL N N 59 111.800 114.684 -2.884 1
2 472 . 15 1 1 A 60 60 GLU H H 60 8.680 8.452 0.228 1
2 473 . 15 1 1 A 60 60 GLU HA H 60 4.790 4.793 -0.003 1
2 476 . 15 1 1 A 60 60 GLU C C 60 175.600 174.586 1.014 1
2 477 . 15 1 1 A 60 60 GLU CA C 60 54.400 55.626 -1.226 1
2 478 . 15 1 1 A 60 60 GLU CB C 60 33.300 33.823 -0.523 1
2 479 . 15 1 1 A 60 60 GLU N N 60 118.900 120.458 -1.558 1
2 480 . 15 1 1 A 61 61 ARG H H 61 9.070 8.858 0.212 1
2 481 . 15 1 1 A 61 61 ARG HA H 61 4.540 4.545 -0.005 1
2 485 . 15 1 1 A 61 61 ARG C C 61 175.900 176.665 -0.765 1
2 486 . 15 1 1 A 61 61 ARG CA C 61 56.500 56.441 0.059 1
2 487 . 15 1 1 A 61 61 ARG CB C 61 31.200 30.678 0.522 1
2 488 . 15 1 1 A 61 61 ARG N N 61 125.400 122.780 2.620 1
2 490 . 15 1 1 A 62 62 LYS H H 62 8.540 8.700 -0.160 1
2 491 . 15 1 1 A 62 62 LYS HA H 62 4.370 3.798 0.572 1
2 494 . 15 1 1 A 62 62 LYS C C 62 176.000 176.416 -0.416 1
2 495 . 15 1 1 A 62 62 LYS CA C 62 55.900 59.882 -3.982 1
2 496 . 15 1 1 A 62 62 LYS CB C 62 33.200 32.355 0.845 1
2 497 . 15 1 1 A 62 62 LYS N N 62 124.400 121.891 2.509 1
2 498 . 15 1 1 A 63 63 ASN H H 63 8.650 8.113 0.537 1
2 499 . 15 1 1 A 63 63 ASN HA H 63 4.740 4.303 0.437 1
2 504 . 15 1 1 A 63 63 ASN C C 63 175.300 174.261 1.039 1
2 505 . 15 1 1 A 63 63 ASN CA C 63 53.300 54.281 -0.981 1
2 506 . 15 1 1 A 63 63 ASN CB C 63 39.000 37.128 1.872 1
2 507 . 15 1 1 A 63 63 ASN N N 63 121.200 116.746 4.454 1
2 509 . 15 1 1 A 64 64 SER H H 64 8.370 7.835 0.535 1
2 510 . 15 1 1 A 64 64 SER HA H 64 4.420 4.636 -0.216 1
2 513 . 15 1 1 A 64 64 SER C C 64 174.300 174.696 -0.396 1
2 514 . 15 1 1 A 64 64 SER CA C 64 58.400 57.639 0.761 1
2 515 . 15 1 1 A 64 64 SER CB C 64 63.900 64.040 -0.140 1
2 516 . 15 1 1 A 64 64 SER N N 64 116.900 111.861 5.039 1
2 517 . 15 1 1 A 65 65 ALA H H 65 8.370 8.740 -0.370 1
2 518 . 15 1 1 A 65 65 ALA HA H 65 4.330 4.556 -0.226 1
2 522 . 15 1 1 A 65 65 ALA C C 65 177.800 176.092 1.708 1
2 523 . 15 1 1 A 65 65 ALA CA C 65 52.700 51.440 1.260 1
2 524 . 15 1 1 A 65 65 ALA CB C 65 19.300 19.380 -0.080 1
2 525 . 15 1 1 A 65 65 ALA N N 65 126.000 127.100 -1.100 1
2 526 . 15 1 1 A 66 66 ARG H H 66 8.230 7.343 0.887 1
2 527 . 15 1 1 A 66 66 ARG HA H 66 4.300 4.742 -0.442 1
2 531 . 15 1 1 A 66 66 ARG C C 66 176.100 176.003 0.097 1
2 532 . 15 1 1 A 66 66 ARG CA C 66 56.000 54.242 1.758 1
2 533 . 15 1 1 A 66 66 ARG CB C 66 30.800 33.127 -2.327 1
2 534 . 15 1 1 A 66 66 ARG N N 66 120.400 116.777 3.623 1
2 536 . 15 1 1 A 67 67 ALA H H 67 8.290 8.969 -0.679 1
2 537 . 15 1 1 A 67 67 ALA HA H 67 4.290 4.039 0.251 1
2 541 . 15 1 1 A 67 67 ALA C C 67 177.600 179.351 -1.751 1
2 542 . 15 1 1 A 67 67 ALA CA C 67 52.500 55.009 -2.509 1
2 543 . 15 1 1 A 67 67 ALA CB C 67 19.200 18.201 0.999 1
2 544 . 15 1 1 A 67 67 ALA N N 67 125.700 125.706 -0.006 1
2 545 . 15 1 1 A 68 68 ALA H H 68 8.270 8.029 0.241 1
2 546 . 15 1 1 A 68 68 ALA HA H 68 4.290 4.160 0.130 1
2 550 . 15 1 1 A 68 68 ALA C C 68 178.600 178.996 -0.396 1
2 551 . 15 1 1 A 68 68 ALA CA C 68 52.400 54.913 -2.513 1
2 552 . 15 1 1 A 68 68 ALA CB C 68 19.200 18.993 0.207 1
2 553 . 15 1 1 A 68 68 ALA N N 68 123.100 119.107 3.993 1
2 554 . 15 1 1 A 69 69 ALA H H 69 8.260 7.527 0.733 1
2 555 . 15 1 1 A 69 69 ALA HA H 69 4.300 4.114 0.186 1
2 559 . 15 1 1 A 69 69 ALA C C 69 177.600 177.197 0.403 1
2 560 . 15 1 1 A 69 69 ALA CA C 69 52.500 53.086 -0.586 1
2 561 . 15 1 1 A 69 69 ALA CB C 69 19.200 18.731 0.469 1
2 562 . 15 1 1 A 69 69 ALA N N 69 123.500 120.686 2.814 1
2 563 . 15 1 1 A 70 70 ASN H H 70 8.390 8.523 -0.133 1
2 564 . 15 1 1 A 70 70 ASN HA H 70 4.750 5.137 -0.387 1
2 567 . 15 1 1 A 70 70 ASN C C 70 175.200 174.674 0.526 1
2 568 . 15 1 1 A 70 70 ASN CA C 70 53.300 52.100 1.200 1
2 569 . 15 1 1 A 70 70 ASN CB C 70 39.000 41.533 -2.533 1
2 570 . 15 1 1 A 70 70 ASN N N 70 117.500 121.587 -4.087 1
2 571 . 15 1 1 A 71 71 SER H H 71 8.240 8.738 -0.498 1
2 572 . 15 1 1 A 71 71 SER HA H 71 4.520 4.176 0.344 1
2 575 . 15 1 1 A 71 71 SER C C 71 173.700 174.645 -0.945 1
2 576 . 15 1 1 A 71 71 SER CA C 71 58.400 58.913 -0.513 1
2 577 . 15 1 1 A 71 71 SER CB C 71 64.200 60.839 3.361 1
2 578 . 15 1 1 A 71 71 SER N N 71 116.200 117.329 -1.129 1
2 5 . 16 1 1 A 2 2 SER H H 2 8.720 7.973 0.747 1
2 6 . 16 1 1 A 2 2 SER HA H 2 4.600 4.218 0.382 1
2 9 . 16 1 1 A 2 2 SER C C 2 174.800 173.770 1.030 1
2 10 . 16 1 1 A 2 2 SER CA C 2 58.300 60.613 -2.313 1
2 11 . 16 1 1 A 2 2 SER CB C 2 64.000 62.520 1.480 1
2 12 . 16 1 1 A 2 2 SER N N 2 115.900 111.975 3.925 1
2 13 . 16 1 1 A 3 3 THR H H 3 8.340 8.301 0.039 1
2 14 . 16 1 1 A 3 3 THR HA H 3 4.390 4.021 0.369 1
2 16 . 16 1 1 A 3 3 THR C C 3 174.600 174.366 0.234 1
2 17 . 16 1 1 A 3 3 THR CA C 3 62.000 62.323 -0.323 1
2 18 . 16 1 1 A 3 3 THR CB C 3 69.800 67.277 2.523 1
2 19 . 16 1 1 A 3 3 THR N N 3 116.100 112.623 3.477 1
2 20 . 16 1 1 A 4 4 MET H H 4 8.430 8.403 0.027 1
2 21 . 16 1 1 A 4 4 MET HA H 4 4.460 4.670 -0.210 1
2 24 . 16 1 1 A 4 4 MET C C 4 175.800 175.544 0.256 1
2 25 . 16 1 1 A 4 4 MET CA C 4 55.600 56.465 -0.865 1
2 26 . 16 1 1 A 4 4 MET CB C 4 33.000 35.356 -2.356 1
2 27 . 16 1 1 A 4 4 MET N N 4 122.900 125.997 -3.097 1
2 28 . 16 1 1 A 5 5 ALA H H 5 8.330 7.712 0.618 1
2 29 . 16 1 1 A 5 5 ALA HA H 5 4.310 4.233 0.077 1
2 33 . 16 1 1 A 5 5 ALA C C 5 177.500 176.882 0.618 1
2 34 . 16 1 1 A 5 5 ALA CA C 5 52.600 53.144 -0.544 1
2 35 . 16 1 1 A 5 5 ALA CB C 5 19.200 19.204 -0.004 1
2 36 . 16 1 1 A 5 5 ALA N N 5 125.600 122.384 3.216 1
2 37 . 16 1 1 A 6 6 GLU H H 6 8.220 8.749 -0.529 1
2 38 . 16 1 1 A 6 6 GLU HA H 6 4.310 4.502 -0.192 1
2 41 . 16 1 1 A 6 6 GLU C C 6 176.200 175.642 0.558 1
2 42 . 16 1 1 A 6 6 GLU CA C 6 56.100 56.026 0.074 1
2 43 . 16 1 1 A 6 6 GLU CB C 6 30.600 29.225 1.375 1
2 44 . 16 1 1 A 6 6 GLU N N 6 119.900 124.292 -4.392 1
2 45 . 16 1 1 A 7 7 GLU H H 7 8.450 8.424 0.026 1
2 46 . 16 1 1 A 7 7 GLU HA H 7 4.440 4.941 -0.501 1
2 49 . 16 1 1 A 7 7 GLU C C 7 176.000 174.735 1.265 1
2 50 . 16 1 1 A 7 7 GLU CA C 7 56.500 54.708 1.792 1
2 51 . 16 1 1 A 7 7 GLU CB C 7 30.700 33.889 -3.189 1
2 52 . 16 1 1 A 7 7 GLU N N 7 122.400 127.041 -4.641 1
2 53 . 16 1 1 A 8 8 VAL H H 8 8.490 8.410 0.080 1
2 54 . 16 1 1 A 8 8 VAL HA H 8 4.210 4.676 -0.466 1
2 56 . 16 1 1 A 8 8 VAL C C 8 175.900 175.573 0.327 1
2 57 . 16 1 1 A 8 8 VAL CA C 8 62.200 61.362 0.838 1
2 58 . 16 1 1 A 8 8 VAL CB C 8 33.300 34.035 -0.735 1
2 59 . 16 1 1 A 8 8 VAL N N 8 123.400 120.497 2.903 1
2 60 . 16 1 1 A 9 9 VAL H H 9 8.360 9.105 -0.745 1
2 61 . 16 1 1 A 9 9 VAL HA H 9 4.430 4.989 -0.559 1
2 63 . 16 1 1 A 9 9 VAL C C 9 176.300 174.899 1.401 1
2 64 . 16 1 1 A 9 9 VAL CA C 9 61.700 59.359 2.341 1
2 65 . 16 1 1 A 9 9 VAL CB C 9 33.000 34.345 -1.345 1
2 66 . 16 1 1 A 9 9 VAL N N 9 126.800 122.042 4.758 1
2 67 . 16 1 1 A 10 10 VAL H H 10 8.900 8.821 0.079 1
2 68 . 16 1 1 A 10 10 VAL HA H 10 4.980 5.313 -0.333 1
2 70 . 16 1 1 A 10 10 VAL C C 10 173.400 173.769 -0.369 1
2 71 . 16 1 1 A 10 10 VAL CA C 10 58.300 59.304 -1.004 1
2 72 . 16 1 1 A 10 10 VAL CB C 10 35.100 34.984 0.116 1
2 73 . 16 1 1 A 10 10 VAL N N 10 119.700 121.464 -1.764 1
2 74 . 16 1 1 A 11 11 VAL H H 11 8.550 9.428 -0.878 1
2 75 . 16 1 1 A 11 11 VAL HA H 11 5.000 4.782 0.218 1
2 77 . 16 1 1 A 11 11 VAL C C 11 176.700 174.987 1.713 1
2 78 . 16 1 1 A 11 11 VAL CA C 11 59.600 59.736 -0.136 1
2 79 . 16 1 1 A 11 11 VAL CB C 11 35.100 34.104 0.996 1
2 80 . 16 1 1 A 11 11 VAL N N 11 118.700 124.042 -5.342 1
2 81 . 16 1 1 A 12 12 ALA H H 12 8.770 8.536 0.234 1
2 82 . 16 1 1 A 12 12 ALA HA H 12 4.580 4.809 -0.229 1
2 86 . 16 1 1 A 12 12 ALA C C 12 178.600 176.985 1.615 1
2 87 . 16 1 1 A 12 12 ALA CA C 12 52.800 51.895 0.905 1
2 88 . 16 1 1 A 12 12 ALA CB C 12 19.900 19.349 0.551 1
2 89 . 16 1 1 A 12 12 ALA N N 12 128.500 129.959 -1.459 1
2 90 . 16 1 1 A 13 13 LYS H H 13 9.370 9.464 -0.094 1
2 91 . 16 1 1 A 13 13 LYS HA H 13 3.850 4.305 -0.455 1
2 94 . 16 1 1 A 13 13 LYS C C 13 174.700 176.463 -1.763 1
2 95 . 16 1 1 A 13 13 LYS CA C 13 57.300 56.685 0.615 1
2 96 . 16 1 1 A 13 13 LYS CB C 13 33.800 34.057 -0.257 1
2 97 . 16 1 1 A 13 13 LYS N N 13 126.700 121.875 4.825 1
2 98 . 16 1 1 A 14 14 PHE H H 14 7.140 7.852 -0.712 1
2 99 . 16 1 1 A 14 14 PHE HA H 14 4.800 5.249 -0.449 1
2 102 . 16 1 1 A 14 14 PHE C C 14 173.600 175.227 -1.627 1
2 103 . 16 1 1 A 14 14 PHE CA C 14 53.700 56.694 -2.994 1
2 104 . 16 1 1 A 14 14 PHE CB C 14 43.700 43.478 0.222 1
2 105 . 16 1 1 A 14 14 PHE N N 14 111.600 116.355 -4.755 1
2 106 . 16 1 1 A 15 15 ASP H H 15 8.360 8.946 -0.586 1
2 107 . 16 1 1 A 15 15 ASP HA H 15 4.790 5.094 -0.304 1
2 110 . 16 1 1 A 15 15 ASP C C 15 176.400 175.092 1.308 1
2 111 . 16 1 1 A 15 15 ASP CA C 15 54.700 53.775 0.925 1
2 112 . 16 1 1 A 15 15 ASP CB C 15 41.600 41.751 -0.151 1
2 113 . 16 1 1 A 15 15 ASP N N 15 117.400 121.326 -3.926 1
2 114 . 16 1 1 A 16 16 TYR H H 16 8.860 8.882 -0.022 1
2 115 . 16 1 1 A 16 16 TYR HA H 16 4.750 5.230 -0.480 1
2 118 . 16 1 1 A 16 16 TYR C C 16 173.700 173.633 0.067 1
2 119 . 16 1 1 A 16 16 TYR CA C 16 59.500 56.498 3.002 1
2 120 . 16 1 1 A 16 16 TYR CB C 16 41.500 42.156 -0.656 1
2 121 . 16 1 1 A 16 16 TYR N N 16 121.000 123.793 -2.793 1
2 122 . 16 1 1 A 17 17 VAL H H 17 7.180 8.381 -1.201 1
2 123 . 16 1 1 A 17 17 VAL HA H 17 4.150 4.218 -0.068 1
2 125 . 16 1 1 A 17 17 VAL C C 17 174.500 175.205 -0.705 1
2 126 . 16 1 1 A 17 17 VAL CA C 17 60.600 60.811 -0.211 1
2 127 . 16 1 1 A 17 17 VAL CB C 17 32.300 32.795 -0.495 1
2 128 . 16 1 1 A 17 17 VAL N N 17 129.100 123.769 5.331 1
2 129 . 16 1 1 A 18 18 ALA H H 18 8.640 8.170 0.470 1
2 130 . 16 1 1 A 18 18 ALA HA H 18 4.230 4.374 -0.144 1
2 134 . 16 1 1 A 18 18 ALA C C 18 179.100 177.691 1.409 1
2 135 . 16 1 1 A 18 18 ALA CA C 18 53.300 52.228 1.072 1
2 136 . 16 1 1 A 18 18 ALA CB C 18 19.900 19.171 0.729 1
2 137 . 16 1 1 A 18 18 ALA N N 18 128.900 131.360 -2.460 1
2 138 . 16 1 1 A 19 19 GLN H H 19 9.080 8.263 0.817 1
2 139 . 16 1 1 A 19 19 GLN HA H 19 4.320 3.919 0.401 1
2 144 . 16 1 1 A 19 19 GLN C C 19 175.500 177.047 -1.547 1
2 145 . 16 1 1 A 19 19 GLN CA C 19 55.100 59.814 -4.714 1
2 146 . 16 1 1 A 19 19 GLN CB C 19 31.200 28.849 2.351 1
2 148 . 16 1 1 A 19 19 GLN N N 19 120.400 124.908 -4.508 1
2 150 . 16 1 1 A 20 20 GLN H H 20 7.220 7.886 -0.666 1
2 151 . 16 1 1 A 20 20 GLN HA H 20 4.590 4.296 0.294 1
2 156 . 16 1 1 A 20 20 GLN C C 20 176.800 177.059 -0.259 1
2 157 . 16 1 1 A 20 20 GLN CA C 20 53.900 55.871 -1.971 1
2 158 . 16 1 1 A 20 20 GLN CB C 20 32.400 30.992 1.408 1
2 159 . 16 1 1 A 20 20 GLN N N 20 114.500 117.914 -3.414 1
2 161 . 16 1 1 A 21 21 GLU H H 21 8.980 8.879 0.101 1
2 162 . 16 1 1 A 21 21 GLU HA H 21 4.090 4.089 0.001 1
2 164 . 16 1 1 A 21 21 GLU C C 21 176.900 178.946 -2.046 1
2 165 . 16 1 1 A 21 21 GLU CA C 21 59.500 58.865 0.635 1
2 166 . 16 1 1 A 21 21 GLU CB C 21 29.700 29.082 0.618 1
2 167 . 16 1 1 A 21 21 GLU N N 21 121.600 124.559 -2.959 1
2 168 . 16 1 1 A 22 22 GLN H H 22 8.470 8.009 0.461 1
2 169 . 16 1 1 A 22 22 GLN HA H 22 4.540 4.020 0.520 1
2 174 . 16 1 1 A 22 22 GLN C C 22 176.700 176.688 0.012 1
2 175 . 16 1 1 A 22 22 GLN CA C 22 56.700 58.988 -2.288 1
2 176 . 16 1 1 A 22 22 GLN CB C 22 28.000 28.847 -0.847 1
2 178 . 16 1 1 A 22 22 GLN N N 22 113.600 119.993 -6.393 1
2 180 . 16 1 1 A 23 23 GLU H H 23 7.730 7.988 -0.258 1
2 181 . 16 1 1 A 23 23 GLU HA H 23 5.340 4.518 0.822 1
2 184 . 16 1 1 A 23 23 GLU C C 23 174.700 175.407 -0.707 1
2 185 . 16 1 1 A 23 23 GLU CA C 23 55.600 57.191 -1.591 1
2 186 . 16 1 1 A 23 23 GLU CB C 23 32.400 30.682 1.718 1
2 187 . 16 1 1 A 23 23 GLU N N 23 120.200 118.843 1.357 1
2 188 . 16 1 1 A 24 24 LEU H H 24 7.900 8.686 -0.786 1
2 189 . 16 1 1 A 24 24 LEU HA H 24 4.680 5.147 -0.467 1
2 192 . 16 1 1 A 24 24 LEU C C 24 174.300 176.161 -1.861 1
2 193 . 16 1 1 A 24 24 LEU CA C 24 53.200 53.727 -0.527 1
2 194 . 16 1 1 A 24 24 LEU CB C 24 46.500 45.087 1.413 1
2 195 . 16 1 1 A 24 24 LEU N N 24 122.400 124.146 -1.746 1
2 196 . 16 1 1 A 25 25 ASP H H 25 7.640 8.763 -1.123 1
2 197 . 16 1 1 A 25 25 ASP HA H 25 5.160 4.667 0.493 1
2 200 . 16 1 1 A 25 25 ASP C C 25 176.800 176.662 0.138 1
2 201 . 16 1 1 A 25 25 ASP CA C 25 54.200 54.114 0.086 1
2 202 . 16 1 1 A 25 25 ASP CB C 25 42.300 41.371 0.929 1
2 203 . 16 1 1 A 25 25 ASP N N 25 121.400 124.895 -3.495 1
2 204 . 16 1 1 A 26 26 ILE H H 26 8.930 8.658 0.272 1
2 205 . 16 1 1 A 26 26 ILE HA H 26 5.120 5.237 -0.117 1
2 207 . 16 1 1 A 26 26 ILE C C 26 175.200 174.092 1.108 1
2 208 . 16 1 1 A 26 26 ILE CA C 26 59.700 58.733 0.967 1
2 209 . 16 1 1 A 26 26 ILE CB C 26 42.400 42.627 -0.227 1
2 210 . 16 1 1 A 26 26 ILE N N 26 115.600 117.947 -2.347 1
2 211 . 16 1 1 A 27 27 LYS H H 27 8.930 8.728 0.202 1
2 212 . 16 1 1 A 27 27 LYS HA H 27 5.090 4.867 0.223 1
2 215 . 16 1 1 A 27 27 LYS C C 27 175.300 174.596 0.704 1
2 216 . 16 1 1 A 27 27 LYS CA C 27 52.900 55.018 -2.118 1
2 217 . 16 1 1 A 27 27 LYS CB C 27 35.400 36.586 -1.186 1
2 218 . 16 1 1 A 27 27 LYS N N 27 123.000 121.683 1.317 1
2 219 . 16 1 1 A 28 28 LYS H H 28 8.990 8.590 0.400 1
2 220 . 16 1 1 A 28 28 LYS HA H 28 3.110 3.914 -0.804 1
2 222 . 16 1 1 A 28 28 LYS C C 28 177.000 177.199 -0.199 1
2 223 . 16 1 1 A 28 28 LYS CA C 28 59.200 58.006 1.194 1
2 224 . 16 1 1 A 28 28 LYS CB C 28 32.600 32.289 0.311 1
2 225 . 16 1 1 A 28 28 LYS N N 28 121.200 126.464 -5.264 1
2 226 . 16 1 1 A 29 29 ASN H H 29 8.700 9.011 -0.311 1
2 227 . 16 1 1 A 29 29 ASN HA H 29 4.180 4.212 -0.032 1
2 232 . 16 1 1 A 29 29 ASN C C 29 174.200 173.643 0.557 1
2 233 . 16 1 1 A 29 29 ASN CA C 29 55.900 54.508 1.392 1
2 234 . 16 1 1 A 29 29 ASN CB C 29 37.400 37.253 0.147 1
2 235 . 16 1 1 A 29 29 ASN N N 29 118.300 119.477 -1.177 1
2 237 . 16 1 1 A 30 30 GLU H H 30 8.660 7.424 1.236 1
2 238 . 16 1 1 A 30 30 GLU HA H 30 4.160 4.746 -0.586 1
2 241 . 16 1 1 A 30 30 GLU C C 30 175.200 175.282 -0.082 1
2 242 . 16 1 1 A 30 30 GLU CA C 30 57.700 55.090 2.610 1
2 243 . 16 1 1 A 30 30 GLU CB C 30 31.800 31.852 -0.052 1
2 244 . 16 1 1 A 30 30 GLU N N 30 124.200 117.984 6.216 1
2 245 . 16 1 1 A 31 31 ARG H H 31 8.490 8.625 -0.135 1
2 246 . 16 1 1 A 31 31 ARG HA H 31 4.580 4.486 0.094 1
2 250 . 16 1 1 A 31 31 ARG C C 31 175.000 175.258 -0.258 1
2 251 . 16 1 1 A 31 31 ARG CA C 31 56.200 56.089 0.111 1
2 252 . 16 1 1 A 31 31 ARG CB C 31 30.800 30.573 0.227 1
2 253 . 16 1 1 A 31 31 ARG N N 31 125.000 126.904 -1.904 1
2 255 . 16 1 1 A 32 32 LEU H H 32 8.860 9.267 -0.407 1
2 256 . 16 1 1 A 32 32 LEU HA H 32 4.840 4.585 0.255 1
2 259 . 16 1 1 A 32 32 LEU C C 32 174.400 175.495 -1.095 1
2 260 . 16 1 1 A 32 32 LEU CA C 32 53.300 52.871 0.429 1
2 261 . 16 1 1 A 32 32 LEU CB C 32 46.300 44.546 1.754 1
2 262 . 16 1 1 A 32 32 LEU N N 32 125.600 125.633 -0.033 1
2 263 . 16 1 1 A 33 33 TRP H H 33 9.160 8.664 0.496 1
2 264 . 16 1 1 A 33 33 TRP HA H 33 5.100 5.352 -0.252 1
2 268 . 16 1 1 A 33 33 TRP C C 33 176.000 175.849 0.151 1
2 269 . 16 1 1 A 33 33 TRP CA C 33 58.300 55.627 2.673 1
2 270 . 16 1 1 A 33 33 TRP CB C 33 31.000 31.080 -0.080 1
2 271 . 16 1 1 A 33 33 TRP N N 33 121.000 121.535 -0.535 1
2 273 . 16 1 1 A 34 34 LEU H H 34 9.130 8.857 0.273 1
2 274 . 16 1 1 A 34 34 LEU HA H 34 4.330 4.506 -0.176 1
2 277 . 16 1 1 A 34 34 LEU C C 34 175.400 175.974 -0.574 1
2 278 . 16 1 1 A 34 34 LEU CA C 34 55.600 55.027 0.573 1
2 279 . 16 1 1 A 34 34 LEU CB C 34 43.700 43.240 0.460 1
2 280 . 16 1 1 A 34 34 LEU N N 34 125.100 126.157 -1.057 1
2 281 . 16 1 1 A 35 35 LEU H H 35 9.020 8.898 0.122 1
2 282 . 16 1 1 A 35 35 LEU HA H 35 4.620 4.613 0.007 1
2 285 . 16 1 1 A 35 35 LEU C C 35 177.400 176.537 0.863 1
2 286 . 16 1 1 A 35 35 LEU CA C 35 55.400 55.614 -0.214 1
2 287 . 16 1 1 A 35 35 LEU CB C 35 42.600 43.809 -1.209 1
2 288 . 16 1 1 A 35 35 LEU N N 35 126.300 126.476 -0.176 1
2 289 . 16 1 1 A 36 36 ASP H H 36 7.460 7.581 -0.121 1
2 290 . 16 1 1 A 36 36 ASP HA H 36 4.760 4.962 -0.202 1
2 293 . 16 1 1 A 36 36 ASP C C 36 175.000 174.703 0.297 1
2 294 . 16 1 1 A 36 36 ASP CA C 36 55.200 54.210 0.990 1
2 295 . 16 1 1 A 36 36 ASP CB C 36 43.400 42.728 0.672 1
2 296 . 16 1 1 A 36 36 ASP N N 36 115.400 118.245 -2.845 1
2 297 . 16 1 1 A 37 37 ASP H H 37 8.330 8.593 -0.263 1
2 298 . 16 1 1 A 37 37 ASP HA H 37 3.940 4.721 -0.781 1
2 301 . 16 1 1 A 37 37 ASP C C 37 176.400 177.726 -1.326 1
2 302 . 16 1 1 A 37 37 ASP CA C 37 52.200 52.942 -0.742 1
2 303 . 16 1 1 A 37 37 ASP CB C 37 39.900 40.805 -0.905 1
2 304 . 16 1 1 A 37 37 ASP N N 37 128.400 123.568 4.832 1
2 305 . 16 1 1 A 38 38 SER H H 38 8.470 8.017 0.453 1
2 306 . 16 1 1 A 38 38 SER HA H 38 4.210 4.287 -0.077 1
2 309 . 16 1 1 A 38 38 SER C C 38 175.300 175.541 -0.241 1
2 310 . 16 1 1 A 38 38 SER CA C 38 61.600 61.843 -0.243 1
2 311 . 16 1 1 A 38 38 SER CB C 38 64.100 63.150 0.950 1
2 312 . 16 1 1 A 38 38 SER N N 38 115.700 115.528 0.172 1
2 313 . 16 1 1 A 39 39 LYS H H 39 8.440 7.723 0.717 1
2 314 . 16 1 1 A 39 39 LYS HA H 39 4.910 4.446 0.464 1
2 317 . 16 1 1 A 39 39 LYS C C 39 175.900 177.668 -1.768 1
2 318 . 16 1 1 A 39 39 LYS CA C 39 55.000 56.203 -1.203 1
2 319 . 16 1 1 A 39 39 LYS CB C 39 34.300 33.139 1.161 1
2 320 . 16 1 1 A 39 39 LYS N N 39 122.300 120.234 2.066 1
2 321 . 16 1 1 A 40 40 SER H H 40 8.360 8.923 -0.563 1
2 322 . 16 1 1 A 40 40 SER HA H 40 4.310 4.175 0.135 1
2 325 . 16 1 1 A 40 40 SER C C 40 175.200 174.209 0.991 1
2 326 . 16 1 1 A 40 40 SER CA C 40 60.900 61.950 -1.050 1
2 327 . 16 1 1 A 40 40 SER CB C 40 63.100 63.332 -0.232 1
2 328 . 16 1 1 A 40 40 SER N N 40 112.600 118.028 -5.428 1
2 329 . 16 1 1 A 41 41 TRP H H 41 7.440 8.098 -0.658 1
2 330 . 16 1 1 A 41 41 TRP HA H 41 4.840 4.783 0.057 1
2 334 . 16 1 1 A 41 41 TRP C C 41 175.500 176.537 -1.037 1
2 335 . 16 1 1 A 41 41 TRP CA C 41 56.800 56.541 0.259 1
2 336 . 16 1 1 A 41 41 TRP CB C 41 29.600 29.753 -0.153 1
2 337 . 16 1 1 A 41 41 TRP N N 41 121.300 118.486 2.814 1
2 339 . 16 1 1 A 42 42 TRP H H 42 9.350 8.943 0.407 1
2 340 . 16 1 1 A 42 42 TRP HA H 42 5.440 5.224 0.216 1
2 344 . 16 1 1 A 42 42 TRP C C 42 175.000 175.995 -0.995 1
2 345 . 16 1 1 A 42 42 TRP CA C 42 54.300 57.294 -2.994 1
2 346 . 16 1 1 A 42 42 TRP CB C 42 30.800 29.414 1.386 1
2 347 . 16 1 1 A 42 42 TRP N N 42 125.400 125.062 0.338 1
2 349 . 16 1 1 A 43 43 ARG H H 43 8.810 9.500 -0.690 1
2 350 . 16 1 1 A 43 43 ARG HA H 43 4.530 4.672 -0.142 1
2 354 . 16 1 1 A 43 43 ARG C C 43 175.600 176.322 -0.722 1
2 355 . 16 1 1 A 43 43 ARG CA C 43 55.400 56.109 -0.709 1
2 356 . 16 1 1 A 43 43 ARG CB C 43 32.200 30.145 2.055 1
2 357 . 16 1 1 A 43 43 ARG N N 43 124.200 126.607 -2.407 1
2 359 . 16 1 1 A 44 44 VAL H H 44 9.210 8.632 0.578 1
2 360 . 16 1 1 A 44 44 VAL HA H 44 5.510 5.284 0.226 1
2 362 . 16 1 1 A 44 44 VAL C C 44 172.800 173.765 -0.965 1
2 363 . 16 1 1 A 44 44 VAL CA C 44 58.800 59.127 -0.327 1
2 364 . 16 1 1 A 44 44 VAL CB C 44 36.600 35.565 1.035 1
2 365 . 16 1 1 A 44 44 VAL N N 44 121.400 120.115 1.285 1
2 366 . 16 1 1 A 45 45 ARG H H 45 9.260 9.232 0.028 1
2 367 . 16 1 1 A 45 45 ARG HA H 45 5.510 5.303 0.207 1
2 371 . 16 1 1 A 45 45 ARG C C 45 175.700 174.317 1.383 1
2 372 . 16 1 1 A 45 45 ARG CA C 45 53.700 53.874 -0.174 1
2 373 . 16 1 1 A 45 45 ARG CB C 45 35.400 33.873 1.527 1
2 374 . 16 1 1 A 45 45 ARG N N 45 120.000 121.973 -1.973 1
2 376 . 16 1 1 A 46 46 ASN H H 46 8.820 9.077 -0.257 1
2 377 . 16 1 1 A 46 46 ASN HA H 46 5.470 5.445 0.025 1
2 382 . 16 1 1 A 46 46 ASN C C 46 178.500 176.897 1.603 1
2 383 . 16 1 1 A 46 46 ASN CA C 46 50.600 51.533 -0.933 1
2 384 . 16 1 1 A 46 46 ASN CB C 46 41.000 41.518 -0.518 1
2 385 . 16 1 1 A 46 46 ASN N N 46 123.300 124.127 -0.827 1
2 387 . 16 1 1 A 47 47 SER H H 47 9.730 9.084 0.646 1
2 388 . 16 1 1 A 47 47 SER HA H 47 4.320 4.377 -0.057 1
2 391 . 16 1 1 A 47 47 SER C C 47 175.200 175.780 -0.580 1
2 392 . 16 1 1 A 47 47 SER CA C 47 61.500 61.841 -0.341 1
2 393 . 16 1 1 A 47 47 SER CB C 47 63.100 62.837 0.263 1
2 394 . 16 1 1 A 47 47 SER N N 47 115.000 119.966 -4.966 1
2 395 . 16 1 1 A 48 48 MET H H 48 7.650 7.729 -0.079 1
2 396 . 16 1 1 A 48 48 MET HA H 48 4.730 4.579 0.151 1
2 399 . 16 1 1 A 48 48 MET C C 48 175.800 176.244 -0.444 1
2 400 . 16 1 1 A 48 48 MET CA C 48 54.500 55.766 -1.266 1
2 401 . 16 1 1 A 48 48 MET CB C 48 31.600 33.267 -1.667 1
2 402 . 16 1 1 A 48 48 MET N N 48 120.300 119.177 1.123 1
2 403 . 16 1 1 A 49 49 ASN H H 49 8.430 8.576 -0.146 1
2 404 . 16 1 1 A 49 49 ASN HA H 49 4.210 4.469 -0.259 1
2 409 . 16 1 1 A 49 49 ASN C C 49 174.200 174.277 -0.077 1
2 410 . 16 1 1 A 49 49 ASN CA C 49 54.900 54.389 0.511 1
2 411 . 16 1 1 A 49 49 ASN CB C 49 37.100 36.532 0.568 1
2 412 . 16 1 1 A 49 49 ASN N N 49 113.400 116.987 -3.587 1
2 414 . 16 1 1 A 50 50 LYS H H 50 8.090 7.777 0.313 1
2 415 . 16 1 1 A 50 50 LYS HA H 50 4.560 4.286 0.274 1
2 418 . 16 1 1 A 50 50 LYS C C 50 175.500 175.601 -0.101 1
2 419 . 16 1 1 A 50 50 LYS CA C 50 55.600 56.730 -1.130 1
2 420 . 16 1 1 A 50 50 LYS CB C 50 33.300 33.387 -0.087 1
2 421 . 16 1 1 A 50 50 LYS N N 50 121.000 121.062 -0.062 1
2 422 . 16 1 1 A 51 51 THR H H 51 8.310 8.664 -0.354 1
2 423 . 16 1 1 A 51 51 THR HA H 51 5.730 5.234 0.496 1
2 425 . 16 1 1 A 51 51 THR C C 51 174.600 173.708 0.892 1
2 426 . 16 1 1 A 51 51 THR CA C 51 59.300 60.627 -1.327 1
2 427 . 16 1 1 A 51 51 THR CB C 51 71.900 71.324 0.576 1
2 428 . 16 1 1 A 51 51 THR N N 51 113.800 117.448 -3.648 1
2 429 . 16 1 1 A 52 52 GLY H H 52 8.630 8.527 0.103 1
2 430 . 16 1 1 A 52 52 GLY HA2 H 52 4.090 4.359 -0.269 1
2 431 . 16 1 1 A 52 52 GLY HA3 H 52 3.920 4.440 -0.520 1
2 432 . 16 1 1 A 52 52 GLY C C 52 170.500 171.928 -1.428 1
2 433 . 16 1 1 A 52 52 GLY CA C 52 45.600 44.403 1.197 1
2 434 . 16 1 1 A 52 52 GLY N N 52 107.900 113.360 -5.460 1
2 435 . 16 1 1 A 53 53 PHE H H 53 9.030 8.835 0.195 1
2 436 . 16 1 1 A 53 53 PHE HA H 53 5.850 5.083 0.767 1
2 439 . 16 1 1 A 53 53 PHE C C 53 176.400 176.202 0.198 1
2 440 . 16 1 1 A 53 53 PHE CA C 53 58.000 58.317 -0.317 1
2 441 . 16 1 1 A 53 53 PHE CB C 53 42.800 40.300 2.500 1
2 442 . 16 1 1 A 53 53 PHE N N 53 118.200 119.430 -1.230 1
2 443 . 16 1 1 A 54 54 VAL H H 54 9.150 9.021 0.129 1
2 444 . 16 1 1 A 54 54 VAL HA H 54 4.790 5.279 -0.489 1
2 445 . 16 1 1 A 54 54 VAL CA C 54 57.600 58.325 -0.725 1
2 446 . 16 1 1 A 54 54 VAL CB C 54 33.300 34.383 -1.083 1
2 447 . 16 1 1 A 54 54 VAL N N 54 112.100 117.935 -5.835 1
2 448 . 16 1 1 A 57 57 ASN HA H 57 4.480 4.811 -0.331 1
2 453 . 16 1 1 A 57 57 ASN C C 57 175.500 176.380 -0.880 1
2 454 . 16 1 1 A 57 57 ASN CA C 57 53.900 54.197 -0.297 1
2 455 . 16 1 1 A 57 57 ASN CB C 57 36.600 39.226 -2.626 1
2 457 . 16 1 1 A 58 58 TYR H H 58 7.950 7.896 0.054 1
2 458 . 16 1 1 A 58 58 TYR HA H 58 4.460 4.657 -0.197 1
2 461 . 16 1 1 A 58 58 TYR C C 58 175.200 175.886 -0.686 1
2 462 . 16 1 1 A 58 58 TYR CA C 58 59.100 59.193 -0.093 1
2 463 . 16 1 1 A 58 58 TYR CB C 58 38.100 40.121 -2.021 1
2 464 . 16 1 1 A 58 58 TYR N N 58 118.400 116.818 1.582 1
2 465 . 16 1 1 A 59 59 VAL H H 59 7.300 7.525 -0.225 1
2 466 . 16 1 1 A 59 59 VAL HA H 59 5.080 5.015 0.065 1
2 468 . 16 1 1 A 59 59 VAL C C 59 173.100 174.561 -1.461 1
2 469 . 16 1 1 A 59 59 VAL CA C 59 58.700 59.784 -1.084 1
2 470 . 16 1 1 A 59 59 VAL CB C 59 35.500 34.722 0.778 1
2 471 . 16 1 1 A 59 59 VAL N N 59 111.800 114.838 -3.038 1
2 472 . 16 1 1 A 60 60 GLU H H 60 8.680 8.434 0.246 1
2 473 . 16 1 1 A 60 60 GLU HA H 60 4.790 4.923 -0.133 1
2 476 . 16 1 1 A 60 60 GLU C C 60 175.600 174.767 0.833 1
2 477 . 16 1 1 A 60 60 GLU CA C 60 54.400 55.634 -1.234 1
2 478 . 16 1 1 A 60 60 GLU CB C 60 33.300 33.786 -0.486 1
2 479 . 16 1 1 A 60 60 GLU N N 60 118.900 120.504 -1.604 1
2 480 . 16 1 1 A 61 61 ARG H H 61 9.070 8.519 0.551 1
2 481 . 16 1 1 A 61 61 ARG HA H 61 4.540 4.420 0.120 1
2 485 . 16 1 1 A 61 61 ARG C C 61 175.900 176.030 -0.130 1
2 486 . 16 1 1 A 61 61 ARG CA C 61 56.500 56.301 0.199 1
2 487 . 16 1 1 A 61 61 ARG CB C 61 31.200 30.391 0.809 1
2 488 . 16 1 1 A 61 61 ARG N N 61 125.400 123.220 2.180 1
2 490 . 16 1 1 A 62 62 LYS H H 62 8.540 8.486 0.054 1
2 491 . 16 1 1 A 62 62 LYS HA H 62 4.370 4.232 0.138 1
2 494 . 16 1 1 A 62 62 LYS C C 62 176.000 177.018 -1.018 1
2 495 . 16 1 1 A 62 62 LYS CA C 62 55.900 57.088 -1.188 1
2 496 . 16 1 1 A 62 62 LYS CB C 62 33.200 32.895 0.305 1
2 497 . 16 1 1 A 62 62 LYS N N 62 124.400 123.596 0.804 1
2 498 . 16 1 1 A 63 63 ASN H H 63 8.650 8.928 -0.278 1
2 499 . 16 1 1 A 63 63 ASN HA H 63 4.740 5.082 -0.342 1
2 504 . 16 1 1 A 63 63 ASN C C 63 175.300 174.619 0.681 1
2 505 . 16 1 1 A 63 63 ASN CA C 63 53.300 52.816 0.484 1
2 506 . 16 1 1 A 63 63 ASN CB C 63 39.000 38.918 0.082 1
2 507 . 16 1 1 A 63 63 ASN N N 63 121.200 126.174 -4.974 1
2 509 . 16 1 1 A 64 64 SER H H 64 8.370 7.794 0.576 1
2 510 . 16 1 1 A 64 64 SER HA H 64 4.420 4.692 -0.272 1
2 513 . 16 1 1 A 64 64 SER C C 64 174.300 173.970 0.330 1
2 514 . 16 1 1 A 64 64 SER CA C 64 58.400 57.610 0.790 1
2 515 . 16 1 1 A 64 64 SER CB C 64 63.900 62.569 1.331 1
2 516 . 16 1 1 A 64 64 SER N N 64 116.900 114.420 2.480 1
2 517 . 16 1 1 A 65 65 ALA H H 65 8.370 8.088 0.282 1
2 518 . 16 1 1 A 65 65 ALA HA H 65 4.330 4.525 -0.195 1
2 522 . 16 1 1 A 65 65 ALA C C 65 177.800 176.475 1.325 1
2 523 . 16 1 1 A 65 65 ALA CA C 65 52.700 50.204 2.496 1
2 524 . 16 1 1 A 65 65 ALA CB C 65 19.300 21.253 -1.953 1
2 525 . 16 1 1 A 65 65 ALA N N 65 126.000 127.413 -1.413 1
2 526 . 16 1 1 A 66 66 ARG H H 66 8.230 8.272 -0.042 1
2 527 . 16 1 1 A 66 66 ARG HA H 66 4.300 4.060 0.240 1
2 531 . 16 1 1 A 66 66 ARG C C 66 176.100 177.805 -1.705 1
2 532 . 16 1 1 A 66 66 ARG CA C 66 56.000 56.779 -0.779 1
2 533 . 16 1 1 A 66 66 ARG CB C 66 30.800 30.886 -0.086 1
2 534 . 16 1 1 A 66 66 ARG N N 66 120.400 119.526 0.874 1
2 536 . 16 1 1 A 67 67 ALA H H 67 8.290 9.027 -0.737 1
2 537 . 16 1 1 A 67 67 ALA HA H 67 4.290 4.049 0.241 1
2 541 . 16 1 1 A 67 67 ALA C C 67 177.600 180.023 -2.423 1
2 542 . 16 1 1 A 67 67 ALA CA C 67 52.500 55.641 -3.141 1
2 543 . 16 1 1 A 67 67 ALA CB C 67 19.200 18.214 0.986 1
2 544 . 16 1 1 A 67 67 ALA N N 67 125.700 128.626 -2.926 1
2 545 . 16 1 1 A 68 68 ALA H H 68 8.270 8.071 0.199 1
2 546 . 16 1 1 A 68 68 ALA HA H 68 4.290 4.105 0.185 1
2 550 . 16 1 1 A 68 68 ALA C C 68 178.600 179.250 -0.650 1
2 551 . 16 1 1 A 68 68 ALA CA C 68 52.400 55.086 -2.686 1
2 552 . 16 1 1 A 68 68 ALA CB C 68 19.200 18.267 0.933 1
2 553 . 16 1 1 A 68 68 ALA N N 68 123.100 119.340 3.760 1
2 554 . 16 1 1 A 69 69 ALA H H 69 8.260 7.659 0.601 1
2 555 . 16 1 1 A 69 69 ALA HA H 69 4.300 4.232 0.068 1
2 559 . 16 1 1 A 69 69 ALA C C 69 177.600 178.073 -0.473 1
2 560 . 16 1 1 A 69 69 ALA CA C 69 52.500 52.862 -0.362 1
2 561 . 16 1 1 A 69 69 ALA CB C 69 19.200 19.239 -0.039 1
2 562 . 16 1 1 A 69 69 ALA N N 69 123.500 120.671 2.829 1
2 563 . 16 1 1 A 70 70 ASN H H 70 8.390 8.788 -0.398 1
2 564 . 16 1 1 A 70 70 ASN HA H 70 4.750 4.520 0.230 1
2 567 . 16 1 1 A 70 70 ASN C C 70 175.200 173.881 1.319 1
2 568 . 16 1 1 A 70 70 ASN CA C 70 53.300 54.274 -0.974 1
2 569 . 16 1 1 A 70 70 ASN CB C 70 39.000 37.444 1.556 1
2 570 . 16 1 1 A 70 70 ASN N N 70 117.500 116.863 0.637 1
2 571 . 16 1 1 A 71 71 SER H H 71 8.240 8.697 -0.457 1
2 572 . 16 1 1 A 71 71 SER HA H 71 4.520 4.759 -0.239 1
2 575 . 16 1 1 A 71 71 SER C C 71 173.700 173.328 0.372 1
2 576 . 16 1 1 A 71 71 SER CA C 71 58.400 57.322 1.078 1
2 577 . 16 1 1 A 71 71 SER CB C 71 64.200 66.483 -2.283 1
2 578 . 16 1 1 A 71 71 SER N N 71 116.200 119.830 -3.630 1
2 5 . 17 1 1 A 2 2 SER H H 2 8.720 8.420 0.300 1
2 6 . 17 1 1 A 2 2 SER HA H 2 4.600 5.135 -0.535 1
2 9 . 17 1 1 A 2 2 SER C C 2 174.800 172.908 1.892 1
2 10 . 17 1 1 A 2 2 SER CA C 2 58.300 56.767 1.533 1
2 11 . 17 1 1 A 2 2 SER CB C 2 64.000 63.227 0.773 1
2 12 . 17 1 1 A 2 2 SER N N 2 115.900 112.585 3.315 1
2 13 . 17 1 1 A 3 3 THR H H 3 8.340 8.643 -0.303 1
2 14 . 17 1 1 A 3 3 THR HA H 3 4.390 5.047 -0.657 1
2 16 . 17 1 1 A 3 3 THR C C 3 174.600 174.013 0.587 1
2 17 . 17 1 1 A 3 3 THR CA C 3 62.000 59.954 2.046 1
2 18 . 17 1 1 A 3 3 THR CB C 3 69.800 71.242 -1.442 1
2 19 . 17 1 1 A 3 3 THR N N 3 116.100 113.825 2.275 1
2 20 . 17 1 1 A 4 4 MET H H 4 8.430 8.733 -0.303 1
2 21 . 17 1 1 A 4 4 MET HA H 4 4.460 4.428 0.032 1
2 24 . 17 1 1 A 4 4 MET C C 4 175.800 175.939 -0.139 1
2 25 . 17 1 1 A 4 4 MET CA C 4 55.600 56.229 -0.629 1
2 26 . 17 1 1 A 4 4 MET CB C 4 33.000 33.842 -0.842 1
2 27 . 17 1 1 A 4 4 MET N N 4 122.900 120.734 2.166 1
2 28 . 17 1 1 A 5 5 ALA H H 5 8.330 8.510 -0.180 1
2 29 . 17 1 1 A 5 5 ALA HA H 5 4.310 4.404 -0.094 1
2 33 . 17 1 1 A 5 5 ALA C C 5 177.500 176.402 1.098 1
2 34 . 17 1 1 A 5 5 ALA CA C 5 52.600 51.826 0.774 1
2 35 . 17 1 1 A 5 5 ALA CB C 5 19.200 18.383 0.817 1
2 36 . 17 1 1 A 5 5 ALA N N 5 125.600 125.741 -0.141 1
2 37 . 17 1 1 A 6 6 GLU H H 6 8.220 8.187 0.033 1
2 38 . 17 1 1 A 6 6 GLU HA H 6 4.310 4.792 -0.482 1
2 41 . 17 1 1 A 6 6 GLU C C 6 176.200 174.234 1.966 1
2 42 . 17 1 1 A 6 6 GLU CA C 6 56.100 55.572 0.528 1
2 43 . 17 1 1 A 6 6 GLU CB C 6 30.600 30.168 0.432 1
2 44 . 17 1 1 A 6 6 GLU N N 6 119.900 124.273 -4.373 1
2 45 . 17 1 1 A 7 7 GLU H H 7 8.450 8.404 0.046 1
2 46 . 17 1 1 A 7 7 GLU HA H 7 4.440 4.909 -0.469 1
2 49 . 17 1 1 A 7 7 GLU C C 7 176.000 175.005 0.995 1
2 50 . 17 1 1 A 7 7 GLU CA C 7 56.500 54.940 1.560 1
2 51 . 17 1 1 A 7 7 GLU CB C 7 30.700 34.674 -3.974 1
2 52 . 17 1 1 A 7 7 GLU N N 7 122.400 125.210 -2.810 1
2 53 . 17 1 1 A 8 8 VAL H H 8 8.490 8.593 -0.103 1
2 54 . 17 1 1 A 8 8 VAL HA H 8 4.210 4.839 -0.629 1
2 56 . 17 1 1 A 8 8 VAL C C 8 175.900 175.283 0.617 1
2 57 . 17 1 1 A 8 8 VAL CA C 8 62.200 60.935 1.265 1
2 58 . 17 1 1 A 8 8 VAL CB C 8 33.300 35.297 -1.997 1
2 59 . 17 1 1 A 8 8 VAL N N 8 123.400 122.035 1.365 1
2 60 . 17 1 1 A 9 9 VAL H H 9 8.360 8.936 -0.576 1
2 61 . 17 1 1 A 9 9 VAL HA H 9 4.430 5.040 -0.610 1
2 63 . 17 1 1 A 9 9 VAL C C 9 176.300 174.880 1.420 1
2 64 . 17 1 1 A 9 9 VAL CA C 9 61.700 59.371 2.329 1
2 65 . 17 1 1 A 9 9 VAL CB C 9 33.000 34.567 -1.567 1
2 66 . 17 1 1 A 9 9 VAL N N 9 126.800 121.116 5.684 1
2 67 . 17 1 1 A 10 10 VAL H H 10 8.900 8.745 0.155 1
2 68 . 17 1 1 A 10 10 VAL HA H 10 4.980 5.331 -0.351 1
2 70 . 17 1 1 A 10 10 VAL C C 10 173.400 173.776 -0.376 1
2 71 . 17 1 1 A 10 10 VAL CA C 10 58.300 59.062 -0.762 1
2 72 . 17 1 1 A 10 10 VAL CB C 10 35.100 35.393 -0.293 1
2 73 . 17 1 1 A 10 10 VAL N N 10 119.700 121.803 -2.103 1
2 74 . 17 1 1 A 11 11 VAL H H 11 8.550 8.740 -0.190 1
2 75 . 17 1 1 A 11 11 VAL HA H 11 5.000 4.832 0.168 1
2 77 . 17 1 1 A 11 11 VAL C C 11 176.700 174.962 1.738 1
2 78 . 17 1 1 A 11 11 VAL CA C 11 59.600 60.053 -0.453 1
2 79 . 17 1 1 A 11 11 VAL CB C 11 35.100 34.306 0.794 1
2 80 . 17 1 1 A 11 11 VAL N N 11 118.700 122.952 -4.252 1
2 81 . 17 1 1 A 12 12 ALA H H 12 8.770 8.890 -0.120 1
2 82 . 17 1 1 A 12 12 ALA HA H 12 4.580 4.285 0.295 1
2 86 . 17 1 1 A 12 12 ALA C C 12 178.600 178.891 -0.291 1
2 87 . 17 1 1 A 12 12 ALA CA C 12 52.800 53.110 -0.310 1
2 88 . 17 1 1 A 12 12 ALA CB C 12 19.900 19.064 0.836 1
2 89 . 17 1 1 A 12 12 ALA N N 12 128.500 131.002 -2.502 1
2 90 . 17 1 1 A 13 13 LYS H H 13 9.370 8.681 0.689 1
2 91 . 17 1 1 A 13 13 LYS HA H 13 3.850 4.207 -0.357 1
2 94 . 17 1 1 A 13 13 LYS C C 13 174.700 175.293 -0.593 1
2 95 . 17 1 1 A 13 13 LYS CA C 13 57.300 56.800 0.500 1
2 96 . 17 1 1 A 13 13 LYS CB C 13 33.800 32.697 1.103 1
2 97 . 17 1 1 A 13 13 LYS N N 13 126.700 119.249 7.451 1
2 98 . 17 1 1 A 14 14 PHE H H 14 7.140 7.515 -0.375 1
2 99 . 17 1 1 A 14 14 PHE HA H 14 4.800 5.031 -0.231 1
2 102 . 17 1 1 A 14 14 PHE C C 14 173.600 174.033 -0.433 1
2 103 . 17 1 1 A 14 14 PHE CA C 14 53.700 56.611 -2.911 1
2 104 . 17 1 1 A 14 14 PHE CB C 14 43.700 44.178 -0.478 1
2 105 . 17 1 1 A 14 14 PHE N N 14 111.600 118.153 -6.553 1
2 106 . 17 1 1 A 15 15 ASP H H 15 8.360 9.211 -0.851 1
2 107 . 17 1 1 A 15 15 ASP HA H 15 4.790 5.784 -0.994 1
2 110 . 17 1 1 A 15 15 ASP C C 15 176.400 174.044 2.356 1
2 111 . 17 1 1 A 15 15 ASP CA C 15 54.700 52.647 2.053 1
2 112 . 17 1 1 A 15 15 ASP CB C 15 41.600 44.362 -2.762 1
2 113 . 17 1 1 A 15 15 ASP N N 15 117.400 118.533 -1.133 1
2 114 . 17 1 1 A 16 16 TYR H H 16 8.860 8.993 -0.133 1
2 115 . 17 1 1 A 16 16 TYR HA H 16 4.750 5.163 -0.413 1
2 118 . 17 1 1 A 16 16 TYR C C 16 173.700 173.592 0.108 1
2 119 . 17 1 1 A 16 16 TYR CA C 16 59.500 57.538 1.962 1
2 120 . 17 1 1 A 16 16 TYR CB C 16 41.500 42.035 -0.535 1
2 121 . 17 1 1 A 16 16 TYR N N 16 121.000 122.614 -1.614 1
2 122 . 17 1 1 A 17 17 VAL H H 17 7.180 8.224 -1.044 1
2 123 . 17 1 1 A 17 17 VAL HA H 17 4.150 4.289 -0.139 1
2 125 . 17 1 1 A 17 17 VAL C C 17 174.500 175.141 -0.641 1
2 126 . 17 1 1 A 17 17 VAL CA C 17 60.600 60.503 0.097 1
2 127 . 17 1 1 A 17 17 VAL CB C 17 32.300 33.675 -1.375 1
2 128 . 17 1 1 A 17 17 VAL N N 17 129.100 123.745 5.355 1
2 129 . 17 1 1 A 18 18 ALA H H 18 8.640 8.419 0.221 1
2 130 . 17 1 1 A 18 18 ALA HA H 18 4.230 4.392 -0.162 1
2 134 . 17 1 1 A 18 18 ALA C C 18 179.100 177.596 1.504 1
2 135 . 17 1 1 A 18 18 ALA CA C 18 53.300 51.264 2.036 1
2 136 . 17 1 1 A 18 18 ALA CB C 18 19.900 17.751 2.149 1
2 137 . 17 1 1 A 18 18 ALA N N 18 128.900 130.732 -1.832 1
2 138 . 17 1 1 A 19 19 GLN H H 19 9.080 8.203 0.877 1
2 139 . 17 1 1 A 19 19 GLN HA H 19 4.320 3.926 0.394 1
2 144 . 17 1 1 A 19 19 GLN C C 19 175.500 177.095 -1.595 1
2 145 . 17 1 1 A 19 19 GLN CA C 19 55.100 59.962 -4.862 1
2 146 . 17 1 1 A 19 19 GLN CB C 19 31.200 28.863 2.337 1
2 148 . 17 1 1 A 19 19 GLN N N 19 120.400 124.034 -3.634 1
2 150 . 17 1 1 A 20 20 GLN H H 20 7.220 7.976 -0.756 1
2 151 . 17 1 1 A 20 20 GLN HA H 20 4.590 4.352 0.238 1
2 156 . 17 1 1 A 20 20 GLN C C 20 176.800 177.168 -0.368 1
2 157 . 17 1 1 A 20 20 GLN CA C 20 53.900 55.233 -1.333 1
2 158 . 17 1 1 A 20 20 GLN CB C 20 32.400 29.518 2.882 1
2 159 . 17 1 1 A 20 20 GLN N N 20 114.500 117.768 -3.268 1
2 161 . 17 1 1 A 21 21 GLU H H 21 8.980 8.900 0.080 1
2 162 . 17 1 1 A 21 21 GLU HA H 21 4.090 4.086 0.004 1
2 164 . 17 1 1 A 21 21 GLU C C 21 176.900 179.103 -2.203 1
2 165 . 17 1 1 A 21 21 GLU CA C 21 59.500 58.878 0.622 1
2 166 . 17 1 1 A 21 21 GLU CB C 21 29.700 29.141 0.559 1
2 167 . 17 1 1 A 21 21 GLU N N 21 121.600 122.577 -0.977 1
2 168 . 17 1 1 A 22 22 GLN H H 22 8.470 7.942 0.528 1
2 169 . 17 1 1 A 22 22 GLN HA H 22 4.540 4.023 0.517 1
2 174 . 17 1 1 A 22 22 GLN C C 22 176.700 176.670 0.030 1
2 175 . 17 1 1 A 22 22 GLN CA C 22 56.700 59.009 -2.309 1
2 176 . 17 1 1 A 22 22 GLN CB C 22 28.000 28.846 -0.846 1
2 178 . 17 1 1 A 22 22 GLN N N 22 113.600 119.406 -5.806 1
2 180 . 17 1 1 A 23 23 GLU H H 23 7.730 7.719 0.011 1
2 181 . 17 1 1 A 23 23 GLU HA H 23 5.340 4.520 0.820 1
2 184 . 17 1 1 A 23 23 GLU C C 23 174.700 176.091 -1.391 1
2 185 . 17 1 1 A 23 23 GLU CA C 23 55.600 57.077 -1.477 1
2 186 . 17 1 1 A 23 23 GLU CB C 23 32.400 30.663 1.737 1
2 187 . 17 1 1 A 23 23 GLU N N 23 120.200 118.862 1.338 1
2 188 . 17 1 1 A 24 24 LEU H H 24 7.900 8.623 -0.723 1
2 189 . 17 1 1 A 24 24 LEU HA H 24 4.680 5.058 -0.378 1
2 192 . 17 1 1 A 24 24 LEU C C 24 174.300 176.296 -1.996 1
2 193 . 17 1 1 A 24 24 LEU CA C 24 53.200 53.525 -0.325 1
2 194 . 17 1 1 A 24 24 LEU CB C 24 46.500 45.242 1.258 1
2 195 . 17 1 1 A 24 24 LEU N N 24 122.400 122.374 0.026 1
2 196 . 17 1 1 A 25 25 ASP H H 25 7.640 8.832 -1.192 1
2 197 . 17 1 1 A 25 25 ASP HA H 25 5.160 5.273 -0.113 1
2 200 . 17 1 1 A 25 25 ASP C C 25 176.800 176.314 0.486 1
2 201 . 17 1 1 A 25 25 ASP CA C 25 54.200 53.200 1.000 1
2 202 . 17 1 1 A 25 25 ASP CB C 25 42.300 42.051 0.249 1
2 203 . 17 1 1 A 25 25 ASP N N 25 121.400 122.259 -0.859 1
2 204 . 17 1 1 A 26 26 ILE H H 26 8.930 8.904 0.026 1
2 205 . 17 1 1 A 26 26 ILE HA H 26 5.120 5.234 -0.114 1
2 207 . 17 1 1 A 26 26 ILE C C 26 175.200 174.172 1.028 1
2 208 . 17 1 1 A 26 26 ILE CA C 26 59.700 58.914 0.786 1
2 209 . 17 1 1 A 26 26 ILE CB C 26 42.400 42.069 0.331 1
2 210 . 17 1 1 A 26 26 ILE N N 26 115.600 119.182 -3.582 1
2 211 . 17 1 1 A 27 27 LYS H H 27 8.930 8.749 0.181 1
2 212 . 17 1 1 A 27 27 LYS HA H 27 5.090 4.811 0.279 1
2 215 . 17 1 1 A 27 27 LYS C C 27 175.300 174.678 0.622 1
2 216 . 17 1 1 A 27 27 LYS CA C 27 52.900 55.175 -2.275 1
2 217 . 17 1 1 A 27 27 LYS CB C 27 35.400 36.555 -1.155 1
2 218 . 17 1 1 A 27 27 LYS N N 27 123.000 121.727 1.273 1
2 219 . 17 1 1 A 28 28 LYS H H 28 8.990 8.625 0.365 1
2 220 . 17 1 1 A 28 28 LYS HA H 28 3.110 4.309 -1.199 1
2 222 . 17 1 1 A 28 28 LYS C C 28 177.000 177.297 -0.297 1
2 223 . 17 1 1 A 28 28 LYS CA C 28 59.200 58.260 0.940 1
2 224 . 17 1 1 A 28 28 LYS CB C 28 32.600 32.132 0.468 1
2 225 . 17 1 1 A 28 28 LYS N N 28 121.200 126.619 -5.419 1
2 226 . 17 1 1 A 29 29 ASN H H 29 8.700 9.120 -0.420 1
2 227 . 17 1 1 A 29 29 ASN HA H 29 4.180 4.295 -0.115 1
2 232 . 17 1 1 A 29 29 ASN C C 29 174.200 174.375 -0.175 1
2 233 . 17 1 1 A 29 29 ASN CA C 29 55.900 54.405 1.495 1
2 234 . 17 1 1 A 29 29 ASN CB C 29 37.400 37.150 0.250 1
2 235 . 17 1 1 A 29 29 ASN N N 29 118.300 120.846 -2.546 1
2 237 . 17 1 1 A 30 30 GLU H H 30 8.660 7.371 1.289 1
2 238 . 17 1 1 A 30 30 GLU HA H 30 4.160 4.877 -0.717 1
2 241 . 17 1 1 A 30 30 GLU C C 30 175.200 175.063 0.137 1
2 242 . 17 1 1 A 30 30 GLU CA C 30 57.700 55.025 2.675 1
2 243 . 17 1 1 A 30 30 GLU CB C 30 31.800 32.214 -0.414 1
2 244 . 17 1 1 A 30 30 GLU N N 30 124.200 117.602 6.598 1
2 245 . 17 1 1 A 31 31 ARG H H 31 8.490 8.779 -0.289 1
2 246 . 17 1 1 A 31 31 ARG HA H 31 4.580 4.530 0.050 1
2 250 . 17 1 1 A 31 31 ARG C C 31 175.000 174.946 0.054 1
2 251 . 17 1 1 A 31 31 ARG CA C 31 56.200 55.995 0.205 1
2 252 . 17 1 1 A 31 31 ARG CB C 31 30.800 30.715 0.085 1
2 253 . 17 1 1 A 31 31 ARG N N 31 125.000 126.358 -1.358 1
2 255 . 17 1 1 A 32 32 LEU H H 32 8.860 9.089 -0.229 1
2 256 . 17 1 1 A 32 32 LEU HA H 32 4.840 4.624 0.216 1
2 259 . 17 1 1 A 32 32 LEU C C 32 174.400 175.334 -0.934 1
2 260 . 17 1 1 A 32 32 LEU CA C 32 53.300 52.825 0.475 1
2 261 . 17 1 1 A 32 32 LEU CB C 32 46.300 44.877 1.423 1
2 262 . 17 1 1 A 32 32 LEU N N 32 125.600 125.548 0.052 1
2 263 . 17 1 1 A 33 33 TRP H H 33 9.160 8.596 0.564 1
2 264 . 17 1 1 A 33 33 TRP HA H 33 5.100 5.305 -0.205 1
2 268 . 17 1 1 A 33 33 TRP C C 33 176.000 175.824 0.176 1
2 269 . 17 1 1 A 33 33 TRP CA C 33 58.300 55.428 2.872 1
2 270 . 17 1 1 A 33 33 TRP CB C 33 31.000 31.210 -0.210 1
2 271 . 17 1 1 A 33 33 TRP N N 33 121.000 120.113 0.887 1
2 273 . 17 1 1 A 34 34 LEU H H 34 9.130 8.989 0.141 1
2 274 . 17 1 1 A 34 34 LEU HA H 34 4.330 4.435 -0.105 1
2 277 . 17 1 1 A 34 34 LEU C C 34 175.400 176.291 -0.891 1
2 278 . 17 1 1 A 34 34 LEU CA C 34 55.600 55.592 0.008 1
2 279 . 17 1 1 A 34 34 LEU CB C 34 43.700 42.641 1.059 1
2 280 . 17 1 1 A 34 34 LEU N N 34 125.100 126.283 -1.183 1
2 281 . 17 1 1 A 35 35 LEU H H 35 9.020 9.067 -0.047 1
2 282 . 17 1 1 A 35 35 LEU HA H 35 4.620 4.437 0.183 1
2 285 . 17 1 1 A 35 35 LEU C C 35 177.400 176.347 1.053 1
2 286 . 17 1 1 A 35 35 LEU CA C 35 55.400 55.781 -0.381 1
2 287 . 17 1 1 A 35 35 LEU CB C 35 42.600 43.287 -0.687 1
2 288 . 17 1 1 A 35 35 LEU N N 35 126.300 126.504 -0.204 1
2 289 . 17 1 1 A 36 36 ASP H H 36 7.460 7.756 -0.296 1
2 290 . 17 1 1 A 36 36 ASP HA H 36 4.760 4.941 -0.181 1
2 293 . 17 1 1 A 36 36 ASP C C 36 175.000 174.676 0.324 1
2 294 . 17 1 1 A 36 36 ASP CA C 36 55.200 53.660 1.540 1
2 295 . 17 1 1 A 36 36 ASP CB C 36 43.400 42.750 0.650 1
2 296 . 17 1 1 A 36 36 ASP N N 36 115.400 117.348 -1.948 1
2 297 . 17 1 1 A 37 37 ASP H H 37 8.330 8.439 -0.109 1
2 298 . 17 1 1 A 37 37 ASP HA H 37 3.940 4.367 -0.427 1
2 301 . 17 1 1 A 37 37 ASP C C 37 176.400 176.424 -0.024 1
2 302 . 17 1 1 A 37 37 ASP CA C 37 52.200 52.245 -0.045 1
2 303 . 17 1 1 A 37 37 ASP CB C 37 39.900 39.369 0.531 1
2 304 . 17 1 1 A 37 37 ASP N N 37 128.400 124.055 4.345 1
2 305 . 17 1 1 A 38 38 SER H H 38 8.470 8.143 0.327 1
2 306 . 17 1 1 A 38 38 SER HA H 38 4.210 4.600 -0.390 1
2 309 . 17 1 1 A 38 38 SER C C 38 175.300 174.794 0.506 1
2 310 . 17 1 1 A 38 38 SER CA C 38 61.600 60.082 1.518 1
2 311 . 17 1 1 A 38 38 SER CB C 38 64.100 64.461 -0.361 1
2 312 . 17 1 1 A 38 38 SER N N 38 115.700 114.088 1.612 1
2 313 . 17 1 1 A 39 39 LYS H H 39 8.440 7.619 0.821 1
2 314 . 17 1 1 A 39 39 LYS HA H 39 4.910 4.446 0.464 1
2 317 . 17 1 1 A 39 39 LYS C C 39 175.900 177.802 -1.902 1
2 318 . 17 1 1 A 39 39 LYS CA C 39 55.000 56.105 -1.105 1
2 319 . 17 1 1 A 39 39 LYS CB C 39 34.300 33.313 0.987 1
2 320 . 17 1 1 A 39 39 LYS N N 39 122.300 119.942 2.358 1
2 321 . 17 1 1 A 40 40 SER H H 40 8.360 8.909 -0.549 1
2 322 . 17 1 1 A 40 40 SER HA H 40 4.310 4.197 0.113 1
2 325 . 17 1 1 A 40 40 SER C C 40 175.200 174.364 0.836 1
2 326 . 17 1 1 A 40 40 SER CA C 40 60.900 61.849 -0.949 1
2 327 . 17 1 1 A 40 40 SER CB C 40 63.100 63.248 -0.148 1
2 328 . 17 1 1 A 40 40 SER N N 40 112.600 117.961 -5.361 1
2 329 . 17 1 1 A 41 41 TRP H H 41 7.440 8.156 -0.716 1
2 330 . 17 1 1 A 41 41 TRP HA H 41 4.840 5.089 -0.249 1
2 334 . 17 1 1 A 41 41 TRP C C 41 175.500 176.457 -0.957 1
2 335 . 17 1 1 A 41 41 TRP CA C 41 56.800 56.425 0.375 1
2 336 . 17 1 1 A 41 41 TRP CB C 41 29.600 30.255 -0.655 1
2 337 . 17 1 1 A 41 41 TRP N N 41 121.300 118.181 3.119 1
2 339 . 17 1 1 A 42 42 TRP H H 42 9.350 9.388 -0.038 1
2 340 . 17 1 1 A 42 42 TRP HA H 42 5.440 5.180 0.260 1
2 344 . 17 1 1 A 42 42 TRP C C 42 175.000 176.040 -1.040 1
2 345 . 17 1 1 A 42 42 TRP CA C 42 54.300 57.453 -3.153 1
2 346 . 17 1 1 A 42 42 TRP CB C 42 30.800 29.348 1.452 1
2 347 . 17 1 1 A 42 42 TRP N N 42 125.400 124.935 0.465 1
2 349 . 17 1 1 A 43 43 ARG H H 43 8.810 9.199 -0.389 1
2 350 . 17 1 1 A 43 43 ARG HA H 43 4.530 4.553 -0.023 1
2 354 . 17 1 1 A 43 43 ARG C C 43 175.600 176.172 -0.572 1
2 355 . 17 1 1 A 43 43 ARG CA C 43 55.400 56.084 -0.684 1
2 356 . 17 1 1 A 43 43 ARG CB C 43 32.200 30.272 1.928 1
2 357 . 17 1 1 A 43 43 ARG N N 43 124.200 126.311 -2.111 1
2 359 . 17 1 1 A 44 44 VAL H H 44 9.210 8.796 0.414 1
2 360 . 17 1 1 A 44 44 VAL HA H 44 5.510 5.191 0.319 1
2 362 . 17 1 1 A 44 44 VAL C C 44 172.800 173.648 -0.848 1
2 363 . 17 1 1 A 44 44 VAL CA C 44 58.800 58.780 0.020 1
2 364 . 17 1 1 A 44 44 VAL CB C 44 36.600 36.156 0.444 1
2 365 . 17 1 1 A 44 44 VAL N N 44 121.400 119.305 2.095 1
2 366 . 17 1 1 A 45 45 ARG H H 45 9.260 9.192 0.068 1
2 367 . 17 1 1 A 45 45 ARG HA H 45 5.510 5.283 0.227 1
2 371 . 17 1 1 A 45 45 ARG C C 45 175.700 174.126 1.574 1
2 372 . 17 1 1 A 45 45 ARG CA C 45 53.700 53.865 -0.165 1
2 373 . 17 1 1 A 45 45 ARG CB C 45 35.400 34.028 1.372 1
2 374 . 17 1 1 A 45 45 ARG N N 45 120.000 121.674 -1.674 1
2 376 . 17 1 1 A 46 46 ASN H H 46 8.820 9.003 -0.183 1
2 377 . 17 1 1 A 46 46 ASN HA H 46 5.470 5.419 0.051 1
2 382 . 17 1 1 A 46 46 ASN C C 46 178.500 176.879 1.621 1
2 383 . 17 1 1 A 46 46 ASN CA C 46 50.600 51.473 -0.873 1
2 384 . 17 1 1 A 46 46 ASN CB C 46 41.000 41.510 -0.510 1
2 385 . 17 1 1 A 46 46 ASN N N 46 123.300 123.261 0.039 1
2 387 . 17 1 1 A 47 47 SER H H 47 9.730 9.049 0.681 1
2 388 . 17 1 1 A 47 47 SER HA H 47 4.320 4.520 -0.200 1
2 391 . 17 1 1 A 47 47 SER C C 47 175.200 175.694 -0.494 1
2 392 . 17 1 1 A 47 47 SER CA C 47 61.500 61.803 -0.303 1
2 393 . 17 1 1 A 47 47 SER CB C 47 63.100 62.801 0.299 1
2 394 . 17 1 1 A 47 47 SER N N 47 115.000 119.264 -4.264 1
2 395 . 17 1 1 A 48 48 MET H H 48 7.650 8.031 -0.381 1
2 396 . 17 1 1 A 48 48 MET HA H 48 4.730 4.566 0.164 1
2 399 . 17 1 1 A 48 48 MET C C 48 175.800 176.217 -0.417 1
2 400 . 17 1 1 A 48 48 MET CA C 48 54.500 55.803 -1.303 1
2 401 . 17 1 1 A 48 48 MET CB C 48 31.600 33.243 -1.643 1
2 402 . 17 1 1 A 48 48 MET N N 48 120.300 119.283 1.017 1
2 403 . 17 1 1 A 49 49 ASN H H 49 8.430 8.391 0.039 1
2 404 . 17 1 1 A 49 49 ASN HA H 49 4.210 4.494 -0.284 1
2 409 . 17 1 1 A 49 49 ASN C C 49 174.200 174.259 -0.059 1
2 410 . 17 1 1 A 49 49 ASN CA C 49 54.900 54.366 0.534 1
2 411 . 17 1 1 A 49 49 ASN CB C 49 37.100 36.544 0.556 1
2 412 . 17 1 1 A 49 49 ASN N N 49 113.400 117.093 -3.693 1
2 414 . 17 1 1 A 50 50 LYS H H 50 8.090 7.914 0.176 1
2 415 . 17 1 1 A 50 50 LYS HA H 50 4.560 4.422 0.138 1
2 418 . 17 1 1 A 50 50 LYS C C 50 175.500 175.518 -0.018 1
2 419 . 17 1 1 A 50 50 LYS CA C 50 55.600 56.175 -0.575 1
2 420 . 17 1 1 A 50 50 LYS CB C 50 33.300 33.918 -0.618 1
2 421 . 17 1 1 A 50 50 LYS N N 50 121.000 120.496 0.504 1
2 422 . 17 1 1 A 51 51 THR H H 51 8.310 8.686 -0.376 1
2 423 . 17 1 1 A 51 51 THR HA H 51 5.730 5.241 0.489 1
2 425 . 17 1 1 A 51 51 THR C C 51 174.600 174.129 0.471 1
2 426 . 17 1 1 A 51 51 THR CA C 51 59.300 60.182 -0.882 1
2 427 . 17 1 1 A 51 51 THR CB C 51 71.900 72.801 -0.901 1
2 428 . 17 1 1 A 51 51 THR N N 51 113.800 115.814 -2.014 1
2 429 . 17 1 1 A 52 52 GLY H H 52 8.630 8.107 0.523 1
2 430 . 17 1 1 A 52 52 GLY HA2 H 52 4.090 4.207 -0.117 1
2 431 . 17 1 1 A 52 52 GLY HA3 H 52 3.920 4.261 -0.341 1
2 432 . 17 1 1 A 52 52 GLY C C 52 170.500 171.532 -1.032 1
2 433 . 17 1 1 A 52 52 GLY CA C 52 45.600 45.435 0.165 1
2 434 . 17 1 1 A 52 52 GLY N N 52 107.900 110.611 -2.711 1
2 435 . 17 1 1 A 53 53 PHE H H 53 9.030 8.815 0.215 1
2 436 . 17 1 1 A 53 53 PHE HA H 53 5.850 5.079 0.771 1
2 439 . 17 1 1 A 53 53 PHE C C 53 176.400 175.856 0.544 1
2 440 . 17 1 1 A 53 53 PHE CA C 53 58.000 58.052 -0.052 1
2 441 . 17 1 1 A 53 53 PHE CB C 53 42.800 40.945 1.855 1
2 442 . 17 1 1 A 53 53 PHE N N 53 118.200 119.480 -1.280 1
2 443 . 17 1 1 A 54 54 VAL H H 54 9.150 9.097 0.053 1
2 444 . 17 1 1 A 54 54 VAL HA H 54 4.790 5.025 -0.235 1
2 445 . 17 1 1 A 54 54 VAL CA C 54 57.600 58.526 -0.926 1
2 446 . 17 1 1 A 54 54 VAL CB C 54 33.300 35.082 -1.782 1
2 447 . 17 1 1 A 54 54 VAL N N 54 112.100 117.248 -5.148 1
2 448 . 17 1 1 A 57 57 ASN HA H 57 4.480 4.420 0.060 1
2 453 . 17 1 1 A 57 57 ASN C C 57 175.500 175.843 -0.343 1
2 454 . 17 1 1 A 57 57 ASN CA C 57 53.900 55.123 -1.223 1
2 455 . 17 1 1 A 57 57 ASN CB C 57 36.600 38.152 -1.552 1
2 457 . 17 1 1 A 58 58 TYR H H 58 7.950 7.798 0.152 1
2 458 . 17 1 1 A 58 58 TYR HA H 58 4.460 4.725 -0.265 1
2 461 . 17 1 1 A 58 58 TYR C C 58 175.200 175.827 -0.627 1
2 462 . 17 1 1 A 58 58 TYR CA C 58 59.100 58.951 0.149 1
2 463 . 17 1 1 A 58 58 TYR CB C 58 38.100 40.488 -2.388 1
2 464 . 17 1 1 A 58 58 TYR N N 58 118.400 117.456 0.944 1
2 465 . 17 1 1 A 59 59 VAL H H 59 7.300 7.501 -0.201 1
2 466 . 17 1 1 A 59 59 VAL HA H 59 5.080 4.800 0.280 1
2 468 . 17 1 1 A 59 59 VAL C C 59 173.100 174.207 -1.107 1
2 469 . 17 1 1 A 59 59 VAL CA C 59 58.700 59.661 -0.961 1
2 470 . 17 1 1 A 59 59 VAL CB C 59 35.500 34.991 0.509 1
2 471 . 17 1 1 A 59 59 VAL N N 59 111.800 114.013 -2.213 1
2 472 . 17 1 1 A 60 60 GLU H H 60 8.680 8.737 -0.057 1
2 473 . 17 1 1 A 60 60 GLU HA H 60 4.790 4.699 0.091 1
2 476 . 17 1 1 A 60 60 GLU C C 60 175.600 174.798 0.802 1
2 477 . 17 1 1 A 60 60 GLU CA C 60 54.400 55.644 -1.244 1
2 478 . 17 1 1 A 60 60 GLU CB C 60 33.300 33.404 -0.104 1
2 479 . 17 1 1 A 60 60 GLU N N 60 118.900 121.302 -2.402 1
2 480 . 17 1 1 A 61 61 ARG H H 61 9.070 8.604 0.466 1
2 481 . 17 1 1 A 61 61 ARG HA H 61 4.540 4.280 0.260 1
2 485 . 17 1 1 A 61 61 ARG C C 61 175.900 175.276 0.624 1
2 486 . 17 1 1 A 61 61 ARG CA C 61 56.500 56.321 0.179 1
2 487 . 17 1 1 A 61 61 ARG CB C 61 31.200 30.513 0.687 1
2 488 . 17 1 1 A 61 61 ARG N N 61 125.400 123.198 2.202 1
2 490 . 17 1 1 A 62 62 LYS H H 62 8.540 8.887 -0.347 1
2 491 . 17 1 1 A 62 62 LYS HA H 62 4.370 4.881 -0.511 1
2 494 . 17 1 1 A 62 62 LYS C C 62 176.000 177.199 -1.199 1
2 495 . 17 1 1 A 62 62 LYS CA C 62 55.900 54.846 1.054 1
2 496 . 17 1 1 A 62 62 LYS CB C 62 33.200 34.833 -1.633 1
2 497 . 17 1 1 A 62 62 LYS N N 62 124.400 124.510 -0.110 1
2 498 . 17 1 1 A 63 63 ASN H H 63 8.650 8.490 0.160 1
2 499 . 17 1 1 A 63 63 ASN HA H 63 4.740 5.066 -0.326 1
2 504 . 17 1 1 A 63 63 ASN C C 63 175.300 176.494 -1.194 1
2 505 . 17 1 1 A 63 63 ASN CA C 63 53.300 52.333 0.967 1
2 506 . 17 1 1 A 63 63 ASN CB C 63 39.000 37.880 1.120 1
2 507 . 17 1 1 A 63 63 ASN N N 63 121.200 121.560 -0.360 1
2 509 . 17 1 1 A 64 64 SER H H 64 8.370 7.984 0.386 1
2 510 . 17 1 1 A 64 64 SER HA H 64 4.420 4.239 0.181 1
2 513 . 17 1 1 A 64 64 SER C C 64 174.300 174.902 -0.602 1
2 514 . 17 1 1 A 64 64 SER CA C 64 58.400 61.580 -3.180 1
2 515 . 17 1 1 A 64 64 SER CB C 64 63.900 63.017 0.883 1
2 516 . 17 1 1 A 64 64 SER N N 64 116.900 115.609 1.291 1
2 517 . 17 1 1 A 65 65 ALA H H 65 8.370 7.569 0.801 1
2 518 . 17 1 1 A 65 65 ALA HA H 65 4.330 4.397 -0.067 1
2 522 . 17 1 1 A 65 65 ALA C C 65 177.800 176.197 1.603 1
2 523 . 17 1 1 A 65 65 ALA CA C 65 52.700 51.795 0.905 1
2 524 . 17 1 1 A 65 65 ALA CB C 65 19.300 18.541 0.759 1
2 525 . 17 1 1 A 65 65 ALA N N 65 126.000 122.314 3.686 1
2 526 . 17 1 1 A 66 66 ARG H H 66 8.230 8.253 -0.023 1
2 527 . 17 1 1 A 66 66 ARG HA H 66 4.300 4.583 -0.283 1
2 531 . 17 1 1 A 66 66 ARG C C 66 176.100 178.007 -1.907 1
2 532 . 17 1 1 A 66 66 ARG CA C 66 56.000 55.161 0.839 1
2 533 . 17 1 1 A 66 66 ARG CB C 66 30.800 31.308 -0.508 1
2 534 . 17 1 1 A 66 66 ARG N N 66 120.400 124.206 -3.806 1
2 536 . 17 1 1 A 67 67 ALA H H 67 8.290 8.894 -0.604 1
2 537 . 17 1 1 A 67 67 ALA HA H 67 4.290 4.056 0.234 1
2 541 . 17 1 1 A 67 67 ALA C C 67 177.600 178.706 -1.106 1
2 542 . 17 1 1 A 67 67 ALA CA C 67 52.500 55.431 -2.931 1
2 543 . 17 1 1 A 67 67 ALA CB C 67 19.200 18.316 0.884 1
2 544 . 17 1 1 A 67 67 ALA N N 67 125.700 123.937 1.763 1
2 545 . 17 1 1 A 68 68 ALA H H 68 8.270 7.877 0.393 1
2 546 . 17 1 1 A 68 68 ALA HA H 68 4.290 4.344 -0.054 1
2 550 . 17 1 1 A 68 68 ALA C C 68 178.600 176.839 1.761 1
2 551 . 17 1 1 A 68 68 ALA CA C 68 52.400 52.293 0.107 1
2 552 . 17 1 1 A 68 68 ALA CB C 68 19.200 18.922 0.278 1
2 553 . 17 1 1 A 68 68 ALA N N 68 123.100 119.397 3.703 1
2 554 . 17 1 1 A 69 69 ALA H H 69 8.260 7.861 0.399 1
2 555 . 17 1 1 A 69 69 ALA HA H 69 4.300 4.436 -0.136 1
2 559 . 17 1 1 A 69 69 ALA C C 69 177.600 178.628 -1.028 1
2 560 . 17 1 1 A 69 69 ALA CA C 69 52.500 53.695 -1.195 1
2 561 . 17 1 1 A 69 69 ALA CB C 69 19.200 20.365 -1.165 1
2 562 . 17 1 1 A 69 69 ALA N N 69 123.500 119.878 3.622 1
2 563 . 17 1 1 A 70 70 ASN H H 70 8.390 8.382 0.008 1
2 564 . 17 1 1 A 70 70 ASN HA H 70 4.750 4.894 -0.144 1
2 567 . 17 1 1 A 70 70 ASN C C 70 175.200 175.223 -0.023 1
2 568 . 17 1 1 A 70 70 ASN CA C 70 53.300 54.217 -0.917 1
2 569 . 17 1 1 A 70 70 ASN CB C 70 39.000 41.385 -2.385 1
2 570 . 17 1 1 A 70 70 ASN N N 70 117.500 114.192 3.308 1
2 571 . 17 1 1 A 71 71 SER H H 71 8.240 7.899 0.341 1
2 572 . 17 1 1 A 71 71 SER HA H 71 4.520 4.462 0.058 1
2 575 . 17 1 1 A 71 71 SER C C 71 173.700 174.925 -1.225 1
2 576 . 17 1 1 A 71 71 SER CA C 71 58.400 59.771 -1.371 1
2 577 . 17 1 1 A 71 71 SER CB C 71 64.200 64.090 0.110 1
2 578 . 17 1 1 A 71 71 SER N N 71 116.200 116.324 -0.124 1
2 5 . 18 1 1 A 2 2 SER H H 2 8.720 8.659 0.061 1
2 6 . 18 1 1 A 2 2 SER HA H 2 4.600 4.590 0.010 1
2 9 . 18 1 1 A 2 2 SER C C 2 174.800 174.162 0.638 1
2 10 . 18 1 1 A 2 2 SER CA C 2 58.300 58.743 -0.443 1
2 11 . 18 1 1 A 2 2 SER CB C 2 64.000 64.464 -0.464 1
2 12 . 18 1 1 A 2 2 SER N N 2 115.900 117.488 -1.588 1
2 13 . 18 1 1 A 3 3 THR H H 3 8.340 8.032 0.308 1
2 14 . 18 1 1 A 3 3 THR HA H 3 4.390 4.375 0.015 1
2 16 . 18 1 1 A 3 3 THR C C 3 174.600 174.288 0.312 1
2 17 . 18 1 1 A 3 3 THR CA C 3 62.000 63.858 -1.858 1
2 18 . 18 1 1 A 3 3 THR CB C 3 69.800 67.653 2.147 1
2 19 . 18 1 1 A 3 3 THR N N 3 116.100 111.569 4.531 1
2 20 . 18 1 1 A 4 4 MET H H 4 8.430 8.942 -0.512 1
2 21 . 18 1 1 A 4 4 MET HA H 4 4.460 4.739 -0.279 1
2 24 . 18 1 1 A 4 4 MET C C 4 175.800 176.524 -0.724 1
2 25 . 18 1 1 A 4 4 MET CA C 4 55.600 56.393 -0.793 1
2 26 . 18 1 1 A 4 4 MET CB C 4 33.000 35.371 -2.371 1
2 27 . 18 1 1 A 4 4 MET N N 4 122.900 123.167 -0.267 1
2 28 . 18 1 1 A 5 5 ALA H H 5 8.330 8.707 -0.377 1
2 29 . 18 1 1 A 5 5 ALA HA H 5 4.310 4.340 -0.030 1
2 33 . 18 1 1 A 5 5 ALA C C 5 177.500 177.116 0.384 1
2 34 . 18 1 1 A 5 5 ALA CA C 5 52.600 54.197 -1.597 1
2 35 . 18 1 1 A 5 5 ALA CB C 5 19.200 19.063 0.137 1
2 36 . 18 1 1 A 5 5 ALA N N 5 125.600 120.881 4.719 1
2 37 . 18 1 1 A 6 6 GLU H H 6 8.220 7.751 0.469 1
2 38 . 18 1 1 A 6 6 GLU HA H 6 4.310 4.617 -0.307 1
2 41 . 18 1 1 A 6 6 GLU C C 6 176.200 173.841 2.359 1
2 42 . 18 1 1 A 6 6 GLU CA C 6 56.100 56.171 -0.071 1
2 43 . 18 1 1 A 6 6 GLU CB C 6 30.600 33.515 -2.915 1
2 44 . 18 1 1 A 6 6 GLU N N 6 119.900 114.393 5.507 1
2 45 . 18 1 1 A 7 7 GLU H H 7 8.450 8.940 -0.490 1
2 46 . 18 1 1 A 7 7 GLU HA H 7 4.440 5.180 -0.740 1
2 49 . 18 1 1 A 7 7 GLU C C 7 176.000 175.280 0.720 1
2 50 . 18 1 1 A 7 7 GLU CA C 7 56.500 55.178 1.322 1
2 51 . 18 1 1 A 7 7 GLU CB C 7 30.700 32.074 -1.374 1
2 52 . 18 1 1 A 7 7 GLU N N 7 122.400 126.766 -4.366 1
2 53 . 18 1 1 A 8 8 VAL H H 8 8.490 8.990 -0.500 1
2 54 . 18 1 1 A 8 8 VAL HA H 8 4.210 4.837 -0.627 1
2 56 . 18 1 1 A 8 8 VAL C C 8 175.900 175.107 0.793 1
2 57 . 18 1 1 A 8 8 VAL CA C 8 62.200 60.685 1.515 1
2 58 . 18 1 1 A 8 8 VAL CB C 8 33.300 35.645 -2.345 1
2 59 . 18 1 1 A 8 8 VAL N N 8 123.400 126.152 -2.752 1
2 60 . 18 1 1 A 9 9 VAL H H 9 8.360 8.840 -0.480 1
2 61 . 18 1 1 A 9 9 VAL HA H 9 4.430 4.957 -0.527 1
2 63 . 18 1 1 A 9 9 VAL C C 9 176.300 174.647 1.653 1
2 64 . 18 1 1 A 9 9 VAL CA C 9 61.700 59.263 2.437 1
2 65 . 18 1 1 A 9 9 VAL CB C 9 33.000 34.630 -1.630 1
2 66 . 18 1 1 A 9 9 VAL N N 9 126.800 120.902 5.898 1
2 67 . 18 1 1 A 10 10 VAL H H 10 8.900 8.727 0.173 1
2 68 . 18 1 1 A 10 10 VAL HA H 10 4.980 5.426 -0.446 1
2 70 . 18 1 1 A 10 10 VAL C C 10 173.400 173.425 -0.025 1
2 71 . 18 1 1 A 10 10 VAL CA C 10 58.300 59.020 -0.720 1
2 72 . 18 1 1 A 10 10 VAL CB C 10 35.100 35.530 -0.430 1
2 73 . 18 1 1 A 10 10 VAL N N 10 119.700 120.132 -0.432 1
2 74 . 18 1 1 A 11 11 VAL H H 11 8.550 9.161 -0.611 1
2 75 . 18 1 1 A 11 11 VAL HA H 11 5.000 4.889 0.111 1
2 77 . 18 1 1 A 11 11 VAL C C 11 176.700 174.498 2.202 1
2 78 . 18 1 1 A 11 11 VAL CA C 11 59.600 59.548 0.052 1
2 79 . 18 1 1 A 11 11 VAL CB C 11 35.100 34.406 0.694 1
2 80 . 18 1 1 A 11 11 VAL N N 11 118.700 122.096 -3.396 1
2 81 . 18 1 1 A 12 12 ALA H H 12 8.770 8.426 0.344 1
2 82 . 18 1 1 A 12 12 ALA HA H 12 4.580 5.014 -0.434 1
2 86 . 18 1 1 A 12 12 ALA C C 12 178.600 176.899 1.701 1
2 87 . 18 1 1 A 12 12 ALA CA C 12 52.800 51.230 1.570 1
2 88 . 18 1 1 A 12 12 ALA CB C 12 19.900 19.808 0.092 1
2 89 . 18 1 1 A 12 12 ALA N N 12 128.500 129.757 -1.257 1
2 90 . 18 1 1 A 13 13 LYS H H 13 9.370 9.464 -0.094 1
2 91 . 18 1 1 A 13 13 LYS HA H 13 3.850 4.343 -0.493 1
2 94 . 18 1 1 A 13 13 LYS C C 13 174.700 176.447 -1.747 1
2 95 . 18 1 1 A 13 13 LYS CA C 13 57.300 56.593 0.707 1
2 96 . 18 1 1 A 13 13 LYS CB C 13 33.800 34.138 -0.338 1
2 97 . 18 1 1 A 13 13 LYS N N 13 126.700 121.731 4.969 1
2 98 . 18 1 1 A 14 14 PHE H H 14 7.140 7.878 -0.738 1
2 99 . 18 1 1 A 14 14 PHE HA H 14 4.800 5.267 -0.467 1
2 102 . 18 1 1 A 14 14 PHE C C 14 173.600 175.241 -1.641 1
2 103 . 18 1 1 A 14 14 PHE CA C 14 53.700 56.617 -2.917 1
2 104 . 18 1 1 A 14 14 PHE CB C 14 43.700 43.463 0.237 1
2 105 . 18 1 1 A 14 14 PHE N N 14 111.600 116.846 -5.246 1
2 106 . 18 1 1 A 15 15 ASP H H 15 8.360 8.913 -0.553 1
2 107 . 18 1 1 A 15 15 ASP HA H 15 4.790 5.099 -0.309 1
2 110 . 18 1 1 A 15 15 ASP C C 15 176.400 175.230 1.170 1
2 111 . 18 1 1 A 15 15 ASP CA C 15 54.700 53.780 0.920 1
2 112 . 18 1 1 A 15 15 ASP CB C 15 41.600 41.572 0.028 1
2 113 . 18 1 1 A 15 15 ASP N N 15 117.400 121.564 -4.164 1
2 114 . 18 1 1 A 16 16 TYR H H 16 8.860 8.773 0.087 1
2 115 . 18 1 1 A 16 16 TYR HA H 16 4.750 5.206 -0.456 1
2 118 . 18 1 1 A 16 16 TYR C C 16 173.700 173.650 0.050 1
2 119 . 18 1 1 A 16 16 TYR CA C 16 59.500 56.035 3.465 1
2 120 . 18 1 1 A 16 16 TYR CB C 16 41.500 42.017 -0.517 1
2 121 . 18 1 1 A 16 16 TYR N N 16 121.000 124.160 -3.160 1
2 122 . 18 1 1 A 17 17 VAL H H 17 7.180 8.399 -1.219 1
2 123 . 18 1 1 A 17 17 VAL HA H 17 4.150 4.167 -0.017 1
2 125 . 18 1 1 A 17 17 VAL C C 17 174.500 175.118 -0.618 1
2 126 . 18 1 1 A 17 17 VAL CA C 17 60.600 60.797 -0.197 1
2 127 . 18 1 1 A 17 17 VAL CB C 17 32.300 32.834 -0.534 1
2 128 . 18 1 1 A 17 17 VAL N N 17 129.100 124.089 5.011 1
2 129 . 18 1 1 A 18 18 ALA H H 18 8.640 8.167 0.473 1
2 130 . 18 1 1 A 18 18 ALA HA H 18 4.230 4.720 -0.490 1
2 134 . 18 1 1 A 18 18 ALA C C 18 179.100 177.886 1.214 1
2 135 . 18 1 1 A 18 18 ALA CA C 18 53.300 52.347 0.953 1
2 136 . 18 1 1 A 18 18 ALA CB C 18 19.900 19.316 0.584 1
2 137 . 18 1 1 A 18 18 ALA N N 18 128.900 131.346 -2.446 1
2 138 . 18 1 1 A 19 19 GLN H H 19 9.080 8.316 0.764 1
2 139 . 18 1 1 A 19 19 GLN HA H 19 4.320 3.951 0.369 1
2 144 . 18 1 1 A 19 19 GLN C C 19 175.500 176.986 -1.486 1
2 145 . 18 1 1 A 19 19 GLN CA C 19 55.100 60.015 -4.915 1
2 146 . 18 1 1 A 19 19 GLN CB C 19 31.200 28.891 2.309 1
2 148 . 18 1 1 A 19 19 GLN N N 19 120.400 125.056 -4.656 1
2 150 . 18 1 1 A 20 20 GLN H H 20 7.220 8.045 -0.825 1
2 151 . 18 1 1 A 20 20 GLN HA H 20 4.590 4.432 0.158 1
2 156 . 18 1 1 A 20 20 GLN C C 20 176.800 176.735 0.065 1
2 157 . 18 1 1 A 20 20 GLN CA C 20 53.900 55.077 -1.177 1
2 158 . 18 1 1 A 20 20 GLN CB C 20 32.400 29.687 2.713 1
2 159 . 18 1 1 A 20 20 GLN N N 20 114.500 118.270 -3.770 1
2 161 . 18 1 1 A 21 21 GLU H H 21 8.980 8.897 0.083 1
2 162 . 18 1 1 A 21 21 GLU HA H 21 4.090 4.063 0.027 1
2 164 . 18 1 1 A 21 21 GLU C C 21 176.900 178.739 -1.839 1
2 165 . 18 1 1 A 21 21 GLU CA C 21 59.500 58.713 0.787 1
2 166 . 18 1 1 A 21 21 GLU CB C 21 29.700 29.189 0.511 1
2 167 . 18 1 1 A 21 21 GLU N N 21 121.600 122.060 -0.460 1
2 168 . 18 1 1 A 22 22 GLN H H 22 8.470 8.014 0.456 1
2 169 . 18 1 1 A 22 22 GLN HA H 22 4.540 4.098 0.442 1
2 174 . 18 1 1 A 22 22 GLN C C 22 176.700 176.449 0.251 1
2 175 . 18 1 1 A 22 22 GLN CA C 22 56.700 58.717 -2.017 1
2 176 . 18 1 1 A 22 22 GLN CB C 22 28.000 28.390 -0.390 1
2 178 . 18 1 1 A 22 22 GLN N N 22 113.600 119.399 -5.799 1
2 180 . 18 1 1 A 23 23 GLU H H 23 7.730 8.165 -0.435 1
2 181 . 18 1 1 A 23 23 GLU HA H 23 5.340 4.521 0.819 1
2 184 . 18 1 1 A 23 23 GLU C C 23 174.700 175.330 -0.630 1
2 185 . 18 1 1 A 23 23 GLU CA C 23 55.600 56.771 -1.171 1
2 186 . 18 1 1 A 23 23 GLU CB C 23 32.400 30.805 1.595 1
2 187 . 18 1 1 A 23 23 GLU N N 23 120.200 118.921 1.279 1
2 188 . 18 1 1 A 24 24 LEU H H 24 7.900 8.654 -0.754 1
2 189 . 18 1 1 A 24 24 LEU HA H 24 4.680 5.137 -0.457 1
2 192 . 18 1 1 A 24 24 LEU C C 24 174.300 176.204 -1.904 1
2 193 . 18 1 1 A 24 24 LEU CA C 24 53.200 53.701 -0.501 1
2 194 . 18 1 1 A 24 24 LEU CB C 24 46.500 45.306 1.194 1
2 195 . 18 1 1 A 24 24 LEU N N 24 122.400 123.761 -1.361 1
2 196 . 18 1 1 A 25 25 ASP H H 25 7.640 8.864 -1.224 1
2 197 . 18 1 1 A 25 25 ASP HA H 25 5.160 4.791 0.369 1
2 200 . 18 1 1 A 25 25 ASP C C 25 176.800 176.584 0.216 1
2 201 . 18 1 1 A 25 25 ASP CA C 25 54.200 53.999 0.201 1
2 202 . 18 1 1 A 25 25 ASP CB C 25 42.300 41.392 0.908 1
2 203 . 18 1 1 A 25 25 ASP N N 25 121.400 125.192 -3.792 1
2 204 . 18 1 1 A 26 26 ILE H H 26 8.930 8.623 0.307 1
2 205 . 18 1 1 A 26 26 ILE HA H 26 5.120 5.211 -0.091 1
2 207 . 18 1 1 A 26 26 ILE C C 26 175.200 173.990 1.210 1
2 208 . 18 1 1 A 26 26 ILE CA C 26 59.700 58.707 0.993 1
2 209 . 18 1 1 A 26 26 ILE CB C 26 42.400 42.643 -0.243 1
2 210 . 18 1 1 A 26 26 ILE N N 26 115.600 118.248 -2.648 1
2 211 . 18 1 1 A 27 27 LYS H H 27 8.930 8.794 0.136 1
2 212 . 18 1 1 A 27 27 LYS HA H 27 5.090 4.935 0.155 1
2 215 . 18 1 1 A 27 27 LYS C C 27 175.300 174.623 0.677 1
2 216 . 18 1 1 A 27 27 LYS CA C 27 52.900 54.867 -1.967 1
2 217 . 18 1 1 A 27 27 LYS CB C 27 35.400 36.562 -1.162 1
2 218 . 18 1 1 A 27 27 LYS N N 27 123.000 121.663 1.337 1
2 219 . 18 1 1 A 28 28 LYS H H 28 8.990 8.608 0.382 1
2 220 . 18 1 1 A 28 28 LYS HA H 28 3.110 3.917 -0.807 1
2 222 . 18 1 1 A 28 28 LYS C C 28 177.000 177.244 -0.244 1
2 223 . 18 1 1 A 28 28 LYS CA C 28 59.200 58.131 1.069 1
2 224 . 18 1 1 A 28 28 LYS CB C 28 32.600 32.209 0.391 1
2 225 . 18 1 1 A 28 28 LYS N N 28 121.200 126.611 -5.411 1
2 226 . 18 1 1 A 29 29 ASN H H 29 8.700 9.339 -0.639 1
2 227 . 18 1 1 A 29 29 ASN HA H 29 4.180 4.320 -0.140 1
2 232 . 18 1 1 A 29 29 ASN C C 29 174.200 173.686 0.514 1
2 233 . 18 1 1 A 29 29 ASN CA C 29 55.900 54.499 1.401 1
2 234 . 18 1 1 A 29 29 ASN CB C 29 37.400 37.407 -0.007 1
2 235 . 18 1 1 A 29 29 ASN N N 29 118.300 121.045 -2.745 1
2 237 . 18 1 1 A 30 30 GLU H H 30 8.660 7.535 1.125 1
2 238 . 18 1 1 A 30 30 GLU HA H 30 4.160 4.671 -0.511 1
2 241 . 18 1 1 A 30 30 GLU C C 30 175.200 175.444 -0.244 1
2 242 . 18 1 1 A 30 30 GLU CA C 30 57.700 55.020 2.680 1
2 243 . 18 1 1 A 30 30 GLU CB C 30 31.800 31.481 0.319 1
2 244 . 18 1 1 A 30 30 GLU N N 30 124.200 118.137 6.063 1
2 245 . 18 1 1 A 31 31 ARG H H 31 8.490 8.574 -0.084 1
2 246 . 18 1 1 A 31 31 ARG HA H 31 4.580 4.389 0.191 1
2 250 . 18 1 1 A 31 31 ARG C C 31 175.000 175.696 -0.696 1
2 251 . 18 1 1 A 31 31 ARG CA C 31 56.200 55.959 0.241 1
2 252 . 18 1 1 A 31 31 ARG CB C 31 30.800 30.498 0.302 1
2 253 . 18 1 1 A 31 31 ARG N N 31 125.000 127.703 -2.703 1
2 255 . 18 1 1 A 32 32 LEU H H 32 8.860 9.265 -0.405 1
2 256 . 18 1 1 A 32 32 LEU HA H 32 4.840 4.623 0.217 1
2 259 . 18 1 1 A 32 32 LEU C C 32 174.400 175.405 -1.005 1
2 260 . 18 1 1 A 32 32 LEU CA C 32 53.300 52.813 0.487 1
2 261 . 18 1 1 A 32 32 LEU CB C 32 46.300 44.840 1.460 1
2 262 . 18 1 1 A 32 32 LEU N N 32 125.600 125.682 -0.082 1
2 263 . 18 1 1 A 33 33 TRP H H 33 9.160 8.795 0.365 1
2 264 . 18 1 1 A 33 33 TRP HA H 33 5.100 5.313 -0.213 1
2 268 . 18 1 1 A 33 33 TRP C C 33 176.000 175.574 0.426 1
2 269 . 18 1 1 A 33 33 TRP CA C 33 58.300 55.585 2.715 1
2 270 . 18 1 1 A 33 33 TRP CB C 33 31.000 30.671 0.329 1
2 271 . 18 1 1 A 33 33 TRP N N 33 121.000 120.629 0.371 1
2 273 . 18 1 1 A 34 34 LEU H H 34 9.130 8.479 0.651 1
2 274 . 18 1 1 A 34 34 LEU HA H 34 4.330 4.437 -0.107 1
2 277 . 18 1 1 A 34 34 LEU C C 34 175.400 176.006 -0.606 1
2 278 . 18 1 1 A 34 34 LEU CA C 34 55.600 55.601 -0.001 1
2 279 . 18 1 1 A 34 34 LEU CB C 34 43.700 42.423 1.277 1
2 280 . 18 1 1 A 34 34 LEU N N 34 125.100 127.051 -1.951 1
2 281 . 18 1 1 A 35 35 LEU H H 35 9.020 9.003 0.017 1
2 282 . 18 1 1 A 35 35 LEU HA H 35 4.620 4.368 0.252 1
2 285 . 18 1 1 A 35 35 LEU C C 35 177.400 176.093 1.307 1
2 286 . 18 1 1 A 35 35 LEU CA C 35 55.400 55.927 -0.527 1
2 287 . 18 1 1 A 35 35 LEU CB C 35 42.600 42.602 -0.002 1
2 288 . 18 1 1 A 35 35 LEU N N 35 126.300 127.842 -1.542 1
2 289 . 18 1 1 A 36 36 ASP H H 36 7.460 7.749 -0.289 1
2 290 . 18 1 1 A 36 36 ASP HA H 36 4.760 4.929 -0.169 1
2 293 . 18 1 1 A 36 36 ASP C C 36 175.000 174.983 0.017 1
2 294 . 18 1 1 A 36 36 ASP CA C 36 55.200 52.930 2.270 1
2 295 . 18 1 1 A 36 36 ASP CB C 36 43.400 42.808 0.592 1
2 296 . 18 1 1 A 36 36 ASP N N 36 115.400 118.374 -2.974 1
2 297 . 18 1 1 A 37 37 ASP H H 37 8.330 8.425 -0.095 1
2 298 . 18 1 1 A 37 37 ASP HA H 37 3.940 4.711 -0.771 1
2 301 . 18 1 1 A 37 37 ASP C C 37 176.400 176.431 -0.031 1
2 302 . 18 1 1 A 37 37 ASP CA C 37 52.200 52.509 -0.309 1
2 303 . 18 1 1 A 37 37 ASP CB C 37 39.900 39.855 0.045 1
2 304 . 18 1 1 A 37 37 ASP N N 37 128.400 123.179 5.221 1
2 305 . 18 1 1 A 38 38 SER H H 38 8.470 8.233 0.237 1
2 306 . 18 1 1 A 38 38 SER HA H 38 4.210 4.588 -0.378 1
2 309 . 18 1 1 A 38 38 SER C C 38 175.300 174.592 0.708 1
2 310 . 18 1 1 A 38 38 SER CA C 38 61.600 60.325 1.275 1
2 311 . 18 1 1 A 38 38 SER CB C 38 64.100 64.304 -0.204 1
2 312 . 18 1 1 A 38 38 SER N N 38 115.700 114.315 1.385 1
2 313 . 18 1 1 A 39 39 LYS H H 39 8.440 7.706 0.734 1
2 314 . 18 1 1 A 39 39 LYS HA H 39 4.910 4.466 0.444 1
2 317 . 18 1 1 A 39 39 LYS C C 39 175.900 178.026 -2.126 1
2 318 . 18 1 1 A 39 39 LYS CA C 39 55.000 56.040 -1.040 1
2 319 . 18 1 1 A 39 39 LYS CB C 39 34.300 33.268 1.032 1
2 320 . 18 1 1 A 39 39 LYS N N 39 122.300 119.984 2.316 1
2 321 . 18 1 1 A 40 40 SER H H 40 8.360 8.745 -0.385 1
2 322 . 18 1 1 A 40 40 SER HA H 40 4.310 4.157 0.153 1
2 325 . 18 1 1 A 40 40 SER C C 40 175.200 175.434 -0.234 1
2 326 . 18 1 1 A 40 40 SER CA C 40 60.900 62.635 -1.735 1
2 327 . 18 1 1 A 40 40 SER CB C 40 63.100 63.225 -0.125 1
2 328 . 18 1 1 A 40 40 SER N N 40 112.600 115.758 -3.158 1
2 329 . 18 1 1 A 41 41 TRP H H 41 7.440 8.159 -0.719 1
2 330 . 18 1 1 A 41 41 TRP HA H 41 4.840 4.834 0.006 1
2 334 . 18 1 1 A 41 41 TRP C C 41 175.500 176.597 -1.097 1
2 335 . 18 1 1 A 41 41 TRP CA C 41 56.800 56.845 -0.045 1
2 336 . 18 1 1 A 41 41 TRP CB C 41 29.600 29.839 -0.239 1
2 337 . 18 1 1 A 41 41 TRP N N 41 121.300 119.139 2.161 1
2 339 . 18 1 1 A 42 42 TRP H H 42 9.350 9.009 0.341 1
2 340 . 18 1 1 A 42 42 TRP HA H 42 5.440 5.118 0.322 1
2 344 . 18 1 1 A 42 42 TRP C C 42 175.000 175.996 -0.996 1
2 345 . 18 1 1 A 42 42 TRP CA C 42 54.300 57.405 -3.105 1
2 346 . 18 1 1 A 42 42 TRP CB C 42 30.800 29.306 1.494 1
2 347 . 18 1 1 A 42 42 TRP N N 42 125.400 125.194 0.206 1
2 349 . 18 1 1 A 43 43 ARG H H 43 8.810 9.037 -0.227 1
2 350 . 18 1 1 A 43 43 ARG HA H 43 4.530 4.477 0.053 1
2 354 . 18 1 1 A 43 43 ARG C C 43 175.600 176.211 -0.611 1
2 355 . 18 1 1 A 43 43 ARG CA C 43 55.400 56.105 -0.705 1
2 356 . 18 1 1 A 43 43 ARG CB C 43 32.200 30.024 2.176 1
2 357 . 18 1 1 A 43 43 ARG N N 43 124.200 126.271 -2.071 1
2 359 . 18 1 1 A 44 44 VAL H H 44 9.210 8.548 0.662 1
2 360 . 18 1 1 A 44 44 VAL HA H 44 5.510 5.228 0.282 1
2 362 . 18 1 1 A 44 44 VAL C C 44 172.800 173.694 -0.894 1
2 363 . 18 1 1 A 44 44 VAL CA C 44 58.800 58.761 0.039 1
2 364 . 18 1 1 A 44 44 VAL CB C 44 36.600 35.629 0.971 1
2 365 . 18 1 1 A 44 44 VAL N N 44 121.400 120.001 1.399 1
2 366 . 18 1 1 A 45 45 ARG H H 45 9.260 9.270 -0.010 1
2 367 . 18 1 1 A 45 45 ARG HA H 45 5.510 5.335 0.175 1
2 371 . 18 1 1 A 45 45 ARG C C 45 175.700 174.480 1.220 1
2 372 . 18 1 1 A 45 45 ARG CA C 45 53.700 53.833 -0.133 1
2 373 . 18 1 1 A 45 45 ARG CB C 45 35.400 33.898 1.502 1
2 374 . 18 1 1 A 45 45 ARG N N 45 120.000 122.095 -2.095 1
2 376 . 18 1 1 A 46 46 ASN H H 46 8.820 9.017 -0.197 1
2 377 . 18 1 1 A 46 46 ASN HA H 46 5.470 5.355 0.115 1
2 382 . 18 1 1 A 46 46 ASN C C 46 178.500 176.943 1.557 1
2 383 . 18 1 1 A 46 46 ASN CA C 46 50.600 51.472 -0.872 1
2 384 . 18 1 1 A 46 46 ASN CB C 46 41.000 41.609 -0.609 1
2 385 . 18 1 1 A 46 46 ASN N N 46 123.300 124.194 -0.894 1
2 387 . 18 1 1 A 47 47 SER H H 47 9.730 9.017 0.713 1
2 388 . 18 1 1 A 47 47 SER HA H 47 4.320 4.511 -0.191 1
2 391 . 18 1 1 A 47 47 SER C C 47 175.200 175.662 -0.462 1
2 392 . 18 1 1 A 47 47 SER CA C 47 61.500 61.702 -0.202 1
2 393 . 18 1 1 A 47 47 SER CB C 47 63.100 62.828 0.272 1
2 394 . 18 1 1 A 47 47 SER N N 47 115.000 119.198 -4.198 1
2 395 . 18 1 1 A 48 48 MET H H 48 7.650 8.018 -0.368 1
2 396 . 18 1 1 A 48 48 MET HA H 48 4.730 4.603 0.127 1
2 399 . 18 1 1 A 48 48 MET C C 48 175.800 176.218 -0.418 1
2 400 . 18 1 1 A 48 48 MET CA C 48 54.500 55.791 -1.291 1
2 401 . 18 1 1 A 48 48 MET CB C 48 31.600 33.280 -1.680 1
2 402 . 18 1 1 A 48 48 MET N N 48 120.300 119.226 1.074 1
2 403 . 18 1 1 A 49 49 ASN H H 49 8.430 8.377 0.053 1
2 404 . 18 1 1 A 49 49 ASN HA H 49 4.210 4.506 -0.296 1
2 409 . 18 1 1 A 49 49 ASN C C 49 174.200 174.282 -0.082 1
2 410 . 18 1 1 A 49 49 ASN CA C 49 54.900 54.416 0.484 1
2 411 . 18 1 1 A 49 49 ASN CB C 49 37.100 36.550 0.550 1
2 412 . 18 1 1 A 49 49 ASN N N 49 113.400 117.008 -3.608 1
2 414 . 18 1 1 A 50 50 LYS H H 50 8.090 7.795 0.295 1
2 415 . 18 1 1 A 50 50 LYS HA H 50 4.560 4.293 0.267 1
2 418 . 18 1 1 A 50 50 LYS C C 50 175.500 175.618 -0.118 1
2 419 . 18 1 1 A 50 50 LYS CA C 50 55.600 56.597 -0.997 1
2 420 . 18 1 1 A 50 50 LYS CB C 50 33.300 33.317 -0.017 1
2 421 . 18 1 1 A 50 50 LYS N N 50 121.000 120.879 0.121 1
2 422 . 18 1 1 A 51 51 THR H H 51 8.310 8.749 -0.439 1
2 423 . 18 1 1 A 51 51 THR HA H 51 5.730 5.261 0.469 1
2 425 . 18 1 1 A 51 51 THR C C 51 174.600 173.721 0.879 1
2 426 . 18 1 1 A 51 51 THR CA C 51 59.300 60.641 -1.341 1
2 427 . 18 1 1 A 51 51 THR CB C 51 71.900 71.309 0.591 1
2 428 . 18 1 1 A 51 51 THR N N 51 113.800 117.416 -3.616 1
2 429 . 18 1 1 A 52 52 GLY H H 52 8.630 8.529 0.101 1
2 430 . 18 1 1 A 52 52 GLY HA2 H 52 4.090 4.379 -0.289 1
2 431 . 18 1 1 A 52 52 GLY HA3 H 52 3.920 4.443 -0.523 1
2 432 . 18 1 1 A 52 52 GLY C C 52 170.500 171.941 -1.441 1
2 433 . 18 1 1 A 52 52 GLY CA C 52 45.600 44.405 1.195 1
2 434 . 18 1 1 A 52 52 GLY N N 52 107.900 113.359 -5.459 1
2 435 . 18 1 1 A 53 53 PHE H H 53 9.030 8.855 0.175 1
2 436 . 18 1 1 A 53 53 PHE HA H 53 5.850 5.031 0.819 1
2 439 . 18 1 1 A 53 53 PHE C C 53 176.400 176.015 0.385 1
2 440 . 18 1 1 A 53 53 PHE CA C 53 58.000 58.297 -0.297 1
2 441 . 18 1 1 A 53 53 PHE CB C 53 42.800 40.423 2.377 1
2 442 . 18 1 1 A 53 53 PHE N N 53 118.200 119.398 -1.198 1
2 443 . 18 1 1 A 54 54 VAL H H 54 9.150 8.978 0.172 1
2 444 . 18 1 1 A 54 54 VAL HA H 54 4.790 5.081 -0.291 1
2 445 . 18 1 1 A 54 54 VAL CA C 54 57.600 58.337 -0.737 1
2 446 . 18 1 1 A 54 54 VAL CB C 54 33.300 34.754 -1.454 1
2 447 . 18 1 1 A 54 54 VAL N N 54 112.100 117.724 -5.624 1
2 448 . 18 1 1 A 57 57 ASN HA H 57 4.480 4.573 -0.093 1
2 453 . 18 1 1 A 57 57 ASN C C 57 175.500 176.297 -0.797 1
2 454 . 18 1 1 A 57 57 ASN CA C 57 53.900 54.966 -1.066 1
2 455 . 18 1 1 A 57 57 ASN CB C 57 36.600 38.645 -2.045 1
2 457 . 18 1 1 A 58 58 TYR H H 58 7.950 7.924 0.026 1
2 458 . 18 1 1 A 58 58 TYR HA H 58 4.460 4.698 -0.238 1
2 461 . 18 1 1 A 58 58 TYR C C 58 175.200 175.918 -0.718 1
2 462 . 18 1 1 A 58 58 TYR CA C 58 59.100 59.134 -0.034 1
2 463 . 18 1 1 A 58 58 TYR CB C 58 38.100 40.327 -2.227 1
2 464 . 18 1 1 A 58 58 TYR N N 58 118.400 116.678 1.722 1
2 465 . 18 1 1 A 59 59 VAL H H 59 7.300 7.556 -0.256 1
2 466 . 18 1 1 A 59 59 VAL HA H 59 5.080 5.226 -0.146 1
2 468 . 18 1 1 A 59 59 VAL C C 59 173.100 174.466 -1.366 1
2 469 . 18 1 1 A 59 59 VAL CA C 59 58.700 59.612 -0.912 1
2 470 . 18 1 1 A 59 59 VAL CB C 59 35.500 34.880 0.620 1
2 471 . 18 1 1 A 59 59 VAL N N 59 111.800 114.786 -2.986 1
2 472 . 18 1 1 A 60 60 GLU H H 60 8.680 8.444 0.236 1
2 473 . 18 1 1 A 60 60 GLU HA H 60 4.790 4.932 -0.142 1
2 476 . 18 1 1 A 60 60 GLU C C 60 175.600 174.965 0.635 1
2 477 . 18 1 1 A 60 60 GLU CA C 60 54.400 55.710 -1.310 1
2 478 . 18 1 1 A 60 60 GLU CB C 60 33.300 33.821 -0.521 1
2 479 . 18 1 1 A 60 60 GLU N N 60 118.900 120.504 -1.604 1
2 480 . 18 1 1 A 61 61 ARG H H 61 9.070 8.704 0.366 1
2 481 . 18 1 1 A 61 61 ARG HA H 61 4.540 4.501 0.039 1
2 485 . 18 1 1 A 61 61 ARG C C 61 175.900 176.334 -0.434 1
2 486 . 18 1 1 A 61 61 ARG CA C 61 56.500 57.693 -1.193 1
2 487 . 18 1 1 A 61 61 ARG CB C 61 31.200 30.911 0.289 1
2 488 . 18 1 1 A 61 61 ARG N N 61 125.400 124.216 1.184 1
2 490 . 18 1 1 A 62 62 LYS H H 62 8.540 9.005 -0.465 1
2 491 . 18 1 1 A 62 62 LYS HA H 62 4.370 4.510 -0.140 1
2 494 . 18 1 1 A 62 62 LYS C C 62 176.000 176.039 -0.039 1
2 495 . 18 1 1 A 62 62 LYS CA C 62 55.900 56.696 -0.796 1
2 496 . 18 1 1 A 62 62 LYS CB C 62 33.200 33.452 -0.252 1
2 497 . 18 1 1 A 62 62 LYS N N 62 124.400 123.743 0.657 1
2 498 . 18 1 1 A 63 63 ASN H H 63 8.650 8.724 -0.074 1
2 499 . 18 1 1 A 63 63 ASN HA H 63 4.740 5.380 -0.640 1
2 504 . 18 1 1 A 63 63 ASN C C 63 175.300 175.715 -0.415 1
2 505 . 18 1 1 A 63 63 ASN CA C 63 53.300 52.024 1.276 1
2 506 . 18 1 1 A 63 63 ASN CB C 63 39.000 39.471 -0.471 1
2 507 . 18 1 1 A 63 63 ASN N N 63 121.200 125.414 -4.214 1
2 509 . 18 1 1 A 64 64 SER H H 64 8.370 8.063 0.307 1
2 510 . 18 1 1 A 64 64 SER HA H 64 4.420 4.088 0.332 1
2 513 . 18 1 1 A 64 64 SER C C 64 174.300 174.185 0.115 1
2 514 . 18 1 1 A 64 64 SER CA C 64 58.400 61.645 -3.245 1
2 515 . 18 1 1 A 64 64 SER CB C 64 63.900 63.079 0.821 1
2 516 . 18 1 1 A 64 64 SER N N 64 116.900 115.733 1.167 1
2 517 . 18 1 1 A 65 65 ALA H H 65 8.370 7.757 0.613 1
2 518 . 18 1 1 A 65 65 ALA HA H 65 4.330 4.582 -0.252 1
2 522 . 18 1 1 A 65 65 ALA C C 65 177.800 176.819 0.981 1
2 523 . 18 1 1 A 65 65 ALA CA C 65 52.700 50.376 2.324 1
2 524 . 18 1 1 A 65 65 ALA CB C 65 19.300 21.116 -1.816 1
2 525 . 18 1 1 A 65 65 ALA N N 65 126.000 120.324 5.676 1
2 526 . 18 1 1 A 66 66 ARG H H 66 8.230 8.594 -0.364 1
2 527 . 18 1 1 A 66 66 ARG HA H 66 4.300 4.299 0.001 1
2 531 . 18 1 1 A 66 66 ARG C C 66 176.100 177.109 -1.009 1
2 532 . 18 1 1 A 66 66 ARG CA C 66 56.000 56.495 -0.495 1
2 533 . 18 1 1 A 66 66 ARG CB C 66 30.800 30.457 0.343 1
2 534 . 18 1 1 A 66 66 ARG N N 66 120.400 118.666 1.734 1
2 536 . 18 1 1 A 67 67 ALA H H 67 8.290 8.845 -0.555 1
2 537 . 18 1 1 A 67 67 ALA HA H 67 4.290 4.207 0.083 1
2 541 . 18 1 1 A 67 67 ALA C C 67 177.600 177.274 0.326 1
2 542 . 18 1 1 A 67 67 ALA CA C 67 52.500 53.195 -0.695 1
2 543 . 18 1 1 A 67 67 ALA CB C 67 19.200 19.247 -0.047 1
2 544 . 18 1 1 A 67 67 ALA N N 67 125.700 124.198 1.502 1
2 545 . 18 1 1 A 68 68 ALA H H 68 8.270 7.714 0.556 1
2 546 . 18 1 1 A 68 68 ALA HA H 68 4.290 4.510 -0.220 1
2 550 . 18 1 1 A 68 68 ALA C C 68 178.600 177.416 1.184 1
2 551 . 18 1 1 A 68 68 ALA CA C 68 52.400 51.306 1.094 1
2 552 . 18 1 1 A 68 68 ALA CB C 68 19.200 18.681 0.519 1
2 553 . 18 1 1 A 68 68 ALA N N 68 123.100 119.623 3.477 1
2 554 . 18 1 1 A 69 69 ALA H H 69 8.260 7.349 0.911 1
2 555 . 18 1 1 A 69 69 ALA HA H 69 4.300 4.215 0.085 1
2 559 . 18 1 1 A 69 69 ALA C C 69 177.600 175.756 1.844 1
2 560 . 18 1 1 A 69 69 ALA CA C 69 52.500 52.011 0.489 1
2 561 . 18 1 1 A 69 69 ALA CB C 69 19.200 18.029 1.171 1
2 562 . 18 1 1 A 69 69 ALA N N 69 123.500 121.483 2.017 1
2 563 . 18 1 1 A 70 70 ASN H H 70 8.390 8.644 -0.254 1
2 564 . 18 1 1 A 70 70 ASN HA H 70 4.750 5.261 -0.511 1
2 567 . 18 1 1 A 70 70 ASN C C 70 175.200 174.517 0.683 1
2 568 . 18 1 1 A 70 70 ASN CA C 70 53.300 52.042 1.258 1
2 569 . 18 1 1 A 70 70 ASN CB C 70 39.000 41.667 -2.667 1
2 570 . 18 1 1 A 70 70 ASN N N 70 117.500 122.110 -4.610 1
2 571 . 18 1 1 A 71 71 SER H H 71 8.240 8.752 -0.512 1
2 572 . 18 1 1 A 71 71 SER HA H 71 4.520 4.573 -0.053 1
2 575 . 18 1 1 A 71 71 SER C C 71 173.700 174.824 -1.124 1
2 576 . 18 1 1 A 71 71 SER CA C 71 58.400 58.150 0.250 1
2 577 . 18 1 1 A 71 71 SER CB C 71 64.200 64.125 0.075 1
2 578 . 18 1 1 A 71 71 SER N N 71 116.200 120.033 -3.833 1
2 5 . 19 1 1 A 2 2 SER H H 2 8.720 8.162 0.558 1
2 6 . 19 1 1 A 2 2 SER HA H 2 4.600 4.268 0.332 1
2 9 . 19 1 1 A 2 2 SER C C 2 174.800 175.097 -0.297 1
2 10 . 19 1 1 A 2 2 SER CA C 2 58.300 60.797 -2.497 1
2 11 . 19 1 1 A 2 2 SER CB C 2 64.000 62.995 1.005 1
2 12 . 19 1 1 A 2 2 SER N N 2 115.900 114.739 1.161 1
2 13 . 19 1 1 A 3 3 THR H H 3 8.340 7.514 0.826 1
2 14 . 19 1 1 A 3 3 THR HA H 3 4.390 4.132 0.258 1
2 16 . 19 1 1 A 3 3 THR C C 3 174.600 173.884 0.716 1
2 17 . 19 1 1 A 3 3 THR CA C 3 62.000 64.337 -2.337 1
2 18 . 19 1 1 A 3 3 THR CB C 3 69.800 69.360 0.440 1
2 19 . 19 1 1 A 3 3 THR N N 3 116.100 116.600 -0.500 1
2 20 . 19 1 1 A 4 4 MET H H 4 8.430 8.803 -0.373 1
2 21 . 19 1 1 A 4 4 MET HA H 4 4.460 4.575 -0.115 1
2 24 . 19 1 1 A 4 4 MET C C 4 175.800 175.924 -0.124 1
2 25 . 19 1 1 A 4 4 MET CA C 4 55.600 56.923 -1.323 1
2 26 . 19 1 1 A 4 4 MET CB C 4 33.000 35.125 -2.125 1
2 27 . 19 1 1 A 4 4 MET N N 4 122.900 125.402 -2.502 1
2 28 . 19 1 1 A 5 5 ALA H H 5 8.330 7.776 0.554 1
2 29 . 19 1 1 A 5 5 ALA HA H 5 4.310 4.172 0.138 1
2 33 . 19 1 1 A 5 5 ALA C C 5 177.500 178.140 -0.640 1
2 34 . 19 1 1 A 5 5 ALA CA C 5 52.600 53.076 -0.476 1
2 35 . 19 1 1 A 5 5 ALA CB C 5 19.200 18.520 0.680 1
2 36 . 19 1 1 A 5 5 ALA N N 5 125.600 122.147 3.453 1
2 37 . 19 1 1 A 6 6 GLU H H 6 8.220 9.031 -0.811 1
2 38 . 19 1 1 A 6 6 GLU HA H 6 4.310 3.960 0.350 1
2 41 . 19 1 1 A 6 6 GLU C C 6 176.200 175.524 0.676 1
2 42 . 19 1 1 A 6 6 GLU CA C 6 56.100 57.196 -1.096 1
2 43 . 19 1 1 A 6 6 GLU CB C 6 30.600 28.207 2.393 1
2 44 . 19 1 1 A 6 6 GLU N N 6 119.900 121.570 -1.670 1
2 45 . 19 1 1 A 7 7 GLU H H 7 8.450 8.510 -0.060 1
2 46 . 19 1 1 A 7 7 GLU HA H 7 4.440 4.554 -0.114 1
2 49 . 19 1 1 A 7 7 GLU C C 7 176.000 175.068 0.932 1
2 50 . 19 1 1 A 7 7 GLU CA C 7 56.500 55.995 0.505 1
2 51 . 19 1 1 A 7 7 GLU CB C 7 30.700 29.700 1.000 1
2 52 . 19 1 1 A 7 7 GLU N N 7 122.400 124.421 -2.021 1
2 53 . 19 1 1 A 8 8 VAL H H 8 8.490 8.627 -0.137 1
2 54 . 19 1 1 A 8 8 VAL HA H 8 4.210 4.804 -0.594 1
2 56 . 19 1 1 A 8 8 VAL C C 8 175.900 175.355 0.545 1
2 57 . 19 1 1 A 8 8 VAL CA C 8 62.200 60.812 1.388 1
2 58 . 19 1 1 A 8 8 VAL CB C 8 33.300 35.350 -2.050 1
2 59 . 19 1 1 A 8 8 VAL N N 8 123.400 126.133 -2.733 1
2 60 . 19 1 1 A 9 9 VAL H H 9 8.360 8.879 -0.519 1
2 61 . 19 1 1 A 9 9 VAL HA H 9 4.430 4.995 -0.565 1
2 63 . 19 1 1 A 9 9 VAL C C 9 176.300 174.578 1.722 1
2 64 . 19 1 1 A 9 9 VAL CA C 9 61.700 59.147 2.553 1
2 65 . 19 1 1 A 9 9 VAL CB C 9 33.000 35.022 -2.022 1
2 66 . 19 1 1 A 9 9 VAL N N 9 126.800 120.852 5.948 1
2 67 . 19 1 1 A 10 10 VAL H H 10 8.900 8.847 0.053 1
2 68 . 19 1 1 A 10 10 VAL HA H 10 4.980 5.443 -0.463 1
2 70 . 19 1 1 A 10 10 VAL C C 10 173.400 173.449 -0.049 1
2 71 . 19 1 1 A 10 10 VAL CA C 10 58.300 59.032 -0.732 1
2 72 . 19 1 1 A 10 10 VAL CB C 10 35.100 35.342 -0.242 1
2 73 . 19 1 1 A 10 10 VAL N N 10 119.700 120.444 -0.744 1
2 74 . 19 1 1 A 11 11 VAL H H 11 8.550 9.282 -0.732 1
2 75 . 19 1 1 A 11 11 VAL HA H 11 5.000 4.912 0.088 1
2 77 . 19 1 1 A 11 11 VAL C C 11 176.700 173.847 2.853 1
2 78 . 19 1 1 A 11 11 VAL CA C 11 59.600 59.403 0.197 1
2 79 . 19 1 1 A 11 11 VAL CB C 11 35.100 34.790 0.310 1
2 80 . 19 1 1 A 11 11 VAL N N 11 118.700 122.149 -3.449 1
2 81 . 19 1 1 A 12 12 ALA H H 12 8.770 8.563 0.207 1
2 82 . 19 1 1 A 12 12 ALA HA H 12 4.580 4.777 -0.197 1
2 86 . 19 1 1 A 12 12 ALA C C 12 178.600 178.893 -0.293 1
2 87 . 19 1 1 A 12 12 ALA CA C 12 52.800 51.921 0.879 1
2 88 . 19 1 1 A 12 12 ALA CB C 12 19.900 19.223 0.677 1
2 89 . 19 1 1 A 12 12 ALA N N 12 128.500 129.662 -1.162 1
2 90 . 19 1 1 A 13 13 LYS H H 13 9.370 8.805 0.565 1
2 91 . 19 1 1 A 13 13 LYS HA H 13 3.850 4.039 -0.189 1
2 94 . 19 1 1 A 13 13 LYS C C 13 174.700 175.409 -0.709 1
2 95 . 19 1 1 A 13 13 LYS CA C 13 57.300 57.229 0.071 1
2 96 . 19 1 1 A 13 13 LYS CB C 13 33.800 32.451 1.349 1
2 97 . 19 1 1 A 13 13 LYS N N 13 126.700 120.110 6.590 1
2 98 . 19 1 1 A 14 14 PHE H H 14 7.140 7.584 -0.444 1
2 99 . 19 1 1 A 14 14 PHE HA H 14 4.800 5.072 -0.272 1
2 102 . 19 1 1 A 14 14 PHE C C 14 173.600 174.126 -0.526 1
2 103 . 19 1 1 A 14 14 PHE CA C 14 53.700 56.692 -2.992 1
2 104 . 19 1 1 A 14 14 PHE CB C 14 43.700 44.203 -0.503 1
2 105 . 19 1 1 A 14 14 PHE N N 14 111.600 117.968 -6.368 1
2 106 . 19 1 1 A 15 15 ASP H H 15 8.360 9.134 -0.774 1
2 107 . 19 1 1 A 15 15 ASP HA H 15 4.790 5.772 -0.982 1
2 110 . 19 1 1 A 15 15 ASP C C 15 176.400 174.270 2.130 1
2 111 . 19 1 1 A 15 15 ASP CA C 15 54.700 52.657 2.043 1
2 112 . 19 1 1 A 15 15 ASP CB C 15 41.600 43.891 -2.291 1
2 113 . 19 1 1 A 15 15 ASP N N 15 117.400 118.706 -1.306 1
2 114 . 19 1 1 A 16 16 TYR H H 16 8.860 8.942 -0.082 1
2 115 . 19 1 1 A 16 16 TYR HA H 16 4.750 5.233 -0.483 1
2 118 . 19 1 1 A 16 16 TYR C C 16 173.700 173.482 0.218 1
2 119 . 19 1 1 A 16 16 TYR CA C 16 59.500 56.956 2.544 1
2 120 . 19 1 1 A 16 16 TYR CB C 16 41.500 42.296 -0.796 1
2 121 . 19 1 1 A 16 16 TYR N N 16 121.000 123.421 -2.421 1
2 122 . 19 1 1 A 17 17 VAL H H 17 7.180 8.345 -1.165 1
2 123 . 19 1 1 A 17 17 VAL HA H 17 4.150 4.216 -0.066 1
2 125 . 19 1 1 A 17 17 VAL C C 17 174.500 175.389 -0.889 1
2 126 . 19 1 1 A 17 17 VAL CA C 17 60.600 60.789 -0.189 1
2 127 . 19 1 1 A 17 17 VAL CB C 17 32.300 32.878 -0.578 1
2 128 . 19 1 1 A 17 17 VAL N N 17 129.100 123.770 5.330 1
2 129 . 19 1 1 A 18 18 ALA H H 18 8.640 8.284 0.356 1
2 130 . 19 1 1 A 18 18 ALA HA H 18 4.230 4.725 -0.495 1
2 134 . 19 1 1 A 18 18 ALA C C 18 179.100 177.815 1.285 1
2 135 . 19 1 1 A 18 18 ALA CA C 18 53.300 51.630 1.670 1
2 136 . 19 1 1 A 18 18 ALA CB C 18 19.900 18.446 1.454 1
2 137 . 19 1 1 A 18 18 ALA N N 18 128.900 131.475 -2.575 1
2 138 . 19 1 1 A 19 19 GLN H H 19 9.080 8.125 0.955 1
2 139 . 19 1 1 A 19 19 GLN HA H 19 4.320 3.968 0.352 1
2 144 . 19 1 1 A 19 19 GLN C C 19 175.500 177.075 -1.575 1
2 145 . 19 1 1 A 19 19 GLN CA C 19 55.100 59.582 -4.482 1
2 146 . 19 1 1 A 19 19 GLN CB C 19 31.200 28.656 2.544 1
2 148 . 19 1 1 A 19 19 GLN N N 19 120.400 124.614 -4.214 1
2 150 . 19 1 1 A 20 20 GLN H H 20 7.220 8.083 -0.863 1
2 151 . 19 1 1 A 20 20 GLN HA H 20 4.590 4.370 0.220 1
2 156 . 19 1 1 A 20 20 GLN C C 20 176.800 176.981 -0.181 1
2 157 . 19 1 1 A 20 20 GLN CA C 20 53.900 55.642 -1.742 1
2 158 . 19 1 1 A 20 20 GLN CB C 20 32.400 29.613 2.787 1
2 159 . 19 1 1 A 20 20 GLN N N 20 114.500 118.243 -3.743 1
2 161 . 19 1 1 A 21 21 GLU H H 21 8.980 8.889 0.091 1
2 162 . 19 1 1 A 21 21 GLU HA H 21 4.090 4.068 0.022 1
2 164 . 19 1 1 A 21 21 GLU C C 21 176.900 178.093 -1.193 1
2 165 . 19 1 1 A 21 21 GLU CA C 21 59.500 58.590 0.910 1
2 166 . 19 1 1 A 21 21 GLU CB C 21 29.700 29.115 0.585 1
2 167 . 19 1 1 A 21 21 GLU N N 21 121.600 122.950 -1.350 1
2 168 . 19 1 1 A 22 22 GLN H H 22 8.470 7.867 0.603 1
2 169 . 19 1 1 A 22 22 GLN HA H 22 4.540 4.191 0.349 1
2 174 . 19 1 1 A 22 22 GLN C C 22 176.700 176.448 0.252 1
2 175 . 19 1 1 A 22 22 GLN CA C 22 56.700 58.066 -1.366 1
2 176 . 19 1 1 A 22 22 GLN CB C 22 28.000 28.620 -0.620 1
2 178 . 19 1 1 A 22 22 GLN N N 22 113.600 119.356 -5.756 1
2 180 . 19 1 1 A 23 23 GLU H H 23 7.730 8.119 -0.389 1
2 181 . 19 1 1 A 23 23 GLU HA H 23 5.340 5.034 0.306 1
2 184 . 19 1 1 A 23 23 GLU C C 23 174.700 175.621 -0.921 1
2 185 . 19 1 1 A 23 23 GLU CA C 23 55.600 56.467 -0.867 1
2 186 . 19 1 1 A 23 23 GLU CB C 23 32.400 30.906 1.494 1
2 187 . 19 1 1 A 23 23 GLU N N 23 120.200 119.327 0.873 1
2 188 . 19 1 1 A 24 24 LEU H H 24 7.900 8.775 -0.875 1
2 189 . 19 1 1 A 24 24 LEU HA H 24 4.680 5.181 -0.501 1
2 192 . 19 1 1 A 24 24 LEU C C 24 174.300 175.851 -1.551 1
2 193 . 19 1 1 A 24 24 LEU CA C 24 53.200 53.614 -0.414 1
2 194 . 19 1 1 A 24 24 LEU CB C 24 46.500 45.937 0.563 1
2 195 . 19 1 1 A 24 24 LEU N N 24 122.400 123.492 -1.092 1
2 196 . 19 1 1 A 25 25 ASP H H 25 7.640 8.852 -1.212 1
2 197 . 19 1 1 A 25 25 ASP HA H 25 5.160 4.752 0.408 1
2 200 . 19 1 1 A 25 25 ASP C C 25 176.800 176.753 0.047 1
2 201 . 19 1 1 A 25 25 ASP CA C 25 54.200 54.403 -0.203 1
2 202 . 19 1 1 A 25 25 ASP CB C 25 42.300 41.140 1.160 1
2 203 . 19 1 1 A 25 25 ASP N N 25 121.400 125.130 -3.730 1
2 204 . 19 1 1 A 26 26 ILE H H 26 8.930 8.719 0.211 1
2 205 . 19 1 1 A 26 26 ILE HA H 26 5.120 5.254 -0.134 1
2 207 . 19 1 1 A 26 26 ILE C C 26 175.200 174.220 0.980 1
2 208 . 19 1 1 A 26 26 ILE CA C 26 59.700 58.931 0.769 1
2 209 . 19 1 1 A 26 26 ILE CB C 26 42.400 42.039 0.361 1
2 210 . 19 1 1 A 26 26 ILE N N 26 115.600 119.047 -3.447 1
2 211 . 19 1 1 A 27 27 LYS H H 27 8.930 8.742 0.188 1
2 212 . 19 1 1 A 27 27 LYS HA H 27 5.090 4.802 0.288 1
2 215 . 19 1 1 A 27 27 LYS C C 27 175.300 174.632 0.668 1
2 216 . 19 1 1 A 27 27 LYS CA C 27 52.900 55.174 -2.274 1
2 217 . 19 1 1 A 27 27 LYS CB C 27 35.400 36.550 -1.150 1
2 218 . 19 1 1 A 27 27 LYS N N 27 123.000 121.730 1.270 1
2 219 . 19 1 1 A 28 28 LYS H H 28 8.990 8.622 0.368 1
2 220 . 19 1 1 A 28 28 LYS HA H 28 3.110 3.956 -0.846 1
2 222 . 19 1 1 A 28 28 LYS C C 28 177.000 177.354 -0.354 1
2 223 . 19 1 1 A 28 28 LYS CA C 28 59.200 58.309 0.891 1
2 224 . 19 1 1 A 28 28 LYS CB C 28 32.600 32.200 0.400 1
2 225 . 19 1 1 A 28 28 LYS N N 28 121.200 126.479 -5.279 1
2 226 . 19 1 1 A 29 29 ASN H H 29 8.700 9.157 -0.457 1
2 227 . 19 1 1 A 29 29 ASN HA H 29 4.180 4.235 -0.055 1
2 232 . 19 1 1 A 29 29 ASN C C 29 174.200 174.104 0.096 1
2 233 . 19 1 1 A 29 29 ASN CA C 29 55.900 54.608 1.292 1
2 234 . 19 1 1 A 29 29 ASN CB C 29 37.400 37.103 0.297 1
2 235 . 19 1 1 A 29 29 ASN N N 29 118.300 120.475 -2.175 1
2 237 . 19 1 1 A 30 30 GLU H H 30 8.660 7.590 1.070 1
2 238 . 19 1 1 A 30 30 GLU HA H 30 4.160 4.733 -0.573 1
2 241 . 19 1 1 A 30 30 GLU C C 30 175.200 175.174 0.026 1
2 242 . 19 1 1 A 30 30 GLU CA C 30 57.700 55.029 2.671 1
2 243 . 19 1 1 A 30 30 GLU CB C 30 31.800 31.666 0.134 1
2 244 . 19 1 1 A 30 30 GLU N N 30 124.200 117.920 6.280 1
2 245 . 19 1 1 A 31 31 ARG H H 31 8.490 8.722 -0.232 1
2 246 . 19 1 1 A 31 31 ARG HA H 31 4.580 4.754 -0.174 1
2 250 . 19 1 1 A 31 31 ARG C C 31 175.000 175.015 -0.015 1
2 251 . 19 1 1 A 31 31 ARG CA C 31 56.200 56.204 -0.004 1
2 252 . 19 1 1 A 31 31 ARG CB C 31 30.800 30.782 0.018 1
2 253 . 19 1 1 A 31 31 ARG N N 31 125.000 127.237 -2.237 1
2 255 . 19 1 1 A 32 32 LEU H H 32 8.860 9.447 -0.587 1
2 256 . 19 1 1 A 32 32 LEU HA H 32 4.840 4.585 0.255 1
2 259 . 19 1 1 A 32 32 LEU C C 32 174.400 175.872 -1.472 1
2 260 . 19 1 1 A 32 32 LEU CA C 32 53.300 53.063 0.237 1
2 261 . 19 1 1 A 32 32 LEU CB C 32 46.300 44.076 2.224 1
2 262 . 19 1 1 A 32 32 LEU N N 32 125.600 125.199 0.401 1
2 263 . 19 1 1 A 33 33 TRP H H 33 9.160 8.565 0.595 1
2 264 . 19 1 1 A 33 33 TRP HA H 33 5.100 5.159 -0.059 1
2 268 . 19 1 1 A 33 33 TRP C C 33 176.000 175.824 0.176 1
2 269 . 19 1 1 A 33 33 TRP CA C 33 58.300 56.218 2.082 1
2 270 . 19 1 1 A 33 33 TRP CB C 33 31.000 29.991 1.009 1
2 271 . 19 1 1 A 33 33 TRP N N 33 121.000 121.971 -0.971 1
2 273 . 19 1 1 A 34 34 LEU H H 34 9.130 8.314 0.816 1
2 274 . 19 1 1 A 34 34 LEU HA H 34 4.330 4.370 -0.040 1
2 277 . 19 1 1 A 34 34 LEU C C 34 175.400 176.026 -0.626 1
2 278 . 19 1 1 A 34 34 LEU CA C 34 55.600 55.920 -0.320 1
2 279 . 19 1 1 A 34 34 LEU CB C 34 43.700 42.577 1.123 1
2 280 . 19 1 1 A 34 34 LEU N N 34 125.100 127.139 -2.039 1
2 281 . 19 1 1 A 35 35 LEU H H 35 9.020 8.919 0.101 1
2 282 . 19 1 1 A 35 35 LEU HA H 35 4.620 4.517 0.103 1
2 285 . 19 1 1 A 35 35 LEU C C 35 177.400 176.278 1.122 1
2 286 . 19 1 1 A 35 35 LEU CA C 35 55.400 55.733 -0.333 1
2 287 . 19 1 1 A 35 35 LEU CB C 35 42.600 43.718 -1.118 1
2 288 . 19 1 1 A 35 35 LEU N N 35 126.300 126.512 -0.212 1
2 289 . 19 1 1 A 36 36 ASP H H 36 7.460 7.502 -0.042 1
2 290 . 19 1 1 A 36 36 ASP HA H 36 4.760 4.868 -0.108 1
2 293 . 19 1 1 A 36 36 ASP C C 36 175.000 174.319 0.681 1
2 294 . 19 1 1 A 36 36 ASP CA C 36 55.200 54.043 1.157 1
2 295 . 19 1 1 A 36 36 ASP CB C 36 43.400 43.031 0.369 1
2 296 . 19 1 1 A 36 36 ASP N N 36 115.400 116.615 -1.215 1
2 297 . 19 1 1 A 37 37 ASP H H 37 8.330 8.542 -0.212 1
2 298 . 19 1 1 A 37 37 ASP HA H 37 3.940 4.526 -0.586 1
2 301 . 19 1 1 A 37 37 ASP C C 37 176.400 176.367 0.033 1
2 302 . 19 1 1 A 37 37 ASP CA C 37 52.200 52.416 -0.216 1
2 303 . 19 1 1 A 37 37 ASP CB C 37 39.900 39.392 0.508 1
2 304 . 19 1 1 A 37 37 ASP N N 37 128.400 124.035 4.365 1
2 305 . 19 1 1 A 38 38 SER H H 38 8.470 8.421 0.049 1
2 306 . 19 1 1 A 38 38 SER HA H 38 4.210 4.616 -0.406 1
2 309 . 19 1 1 A 38 38 SER C C 38 175.300 174.486 0.814 1
2 310 . 19 1 1 A 38 38 SER CA C 38 61.600 59.561 2.039 1
2 311 . 19 1 1 A 38 38 SER CB C 38 64.100 64.579 -0.479 1
2 312 . 19 1 1 A 38 38 SER N N 38 115.700 114.833 0.867 1
2 313 . 19 1 1 A 39 39 LYS H H 39 8.440 7.594 0.846 1
2 314 . 19 1 1 A 39 39 LYS HA H 39 4.910 4.471 0.439 1
2 317 . 19 1 1 A 39 39 LYS C C 39 175.900 177.821 -1.921 1
2 318 . 19 1 1 A 39 39 LYS CA C 39 55.000 56.006 -1.006 1
2 319 . 19 1 1 A 39 39 LYS CB C 39 34.300 33.482 0.818 1
2 320 . 19 1 1 A 39 39 LYS N N 39 122.300 120.609 1.691 1
2 321 . 19 1 1 A 40 40 SER H H 40 8.360 8.934 -0.574 1
2 322 . 19 1 1 A 40 40 SER HA H 40 4.310 4.237 0.073 1
2 325 . 19 1 1 A 40 40 SER C C 40 175.200 174.526 0.674 1
2 326 . 19 1 1 A 40 40 SER CA C 40 60.900 61.894 -0.994 1
2 327 . 19 1 1 A 40 40 SER CB C 40 63.100 63.380 -0.280 1
2 328 . 19 1 1 A 40 40 SER N N 40 112.600 117.974 -5.374 1
2 329 . 19 1 1 A 41 41 TRP H H 41 7.440 8.222 -0.782 1
2 330 . 19 1 1 A 41 41 TRP HA H 41 4.840 4.869 -0.029 1
2 334 . 19 1 1 A 41 41 TRP C C 41 175.500 176.522 -1.022 1
2 335 . 19 1 1 A 41 41 TRP CA C 41 56.800 56.762 0.038 1
2 336 . 19 1 1 A 41 41 TRP CB C 41 29.600 29.871 -0.271 1
2 337 . 19 1 1 A 41 41 TRP N N 41 121.300 118.904 2.396 1
2 339 . 19 1 1 A 42 42 TRP H H 42 9.350 8.992 0.358 1
2 340 . 19 1 1 A 42 42 TRP HA H 42 5.440 4.976 0.464 1
2 344 . 19 1 1 A 42 42 TRP C C 42 175.000 176.083 -1.083 1
2 345 . 19 1 1 A 42 42 TRP CA C 42 54.300 57.753 -3.453 1
2 346 . 19 1 1 A 42 42 TRP CB C 42 30.800 29.473 1.327 1
2 347 . 19 1 1 A 42 42 TRP N N 42 125.400 125.163 0.237 1
2 349 . 19 1 1 A 43 43 ARG H H 43 8.810 9.016 -0.206 1
2 350 . 19 1 1 A 43 43 ARG HA H 43 4.530 4.421 0.109 1
2 354 . 19 1 1 A 43 43 ARG C C 43 175.600 176.155 -0.555 1
2 355 . 19 1 1 A 43 43 ARG CA C 43 55.400 56.109 -0.709 1
2 356 . 19 1 1 A 43 43 ARG CB C 43 32.200 30.042 2.158 1
2 357 . 19 1 1 A 43 43 ARG N N 43 124.200 126.339 -2.139 1
2 359 . 19 1 1 A 44 44 VAL H H 44 9.210 8.472 0.738 1
2 360 . 19 1 1 A 44 44 VAL HA H 44 5.510 5.068 0.442 1
2 362 . 19 1 1 A 44 44 VAL C C 44 172.800 173.785 -0.985 1
2 363 . 19 1 1 A 44 44 VAL CA C 44 58.800 58.720 0.080 1
2 364 . 19 1 1 A 44 44 VAL CB C 44 36.600 35.924 0.676 1
2 365 . 19 1 1 A 44 44 VAL N N 44 121.400 119.889 1.511 1
2 366 . 19 1 1 A 45 45 ARG H H 45 9.260 9.247 0.013 1
2 367 . 19 1 1 A 45 45 ARG HA H 45 5.510 5.273 0.237 1
2 371 . 19 1 1 A 45 45 ARG C C 45 175.700 174.506 1.194 1
2 372 . 19 1 1 A 45 45 ARG CA C 45 53.700 53.928 -0.228 1
2 373 . 19 1 1 A 45 45 ARG CB C 45 35.400 33.825 1.575 1
2 374 . 19 1 1 A 45 45 ARG N N 45 120.000 122.167 -2.167 1
2 376 . 19 1 1 A 46 46 ASN H H 46 8.820 8.929 -0.109 1
2 377 . 19 1 1 A 46 46 ASN HA H 46 5.470 5.405 0.065 1
2 382 . 19 1 1 A 46 46 ASN C C 46 178.500 176.914 1.586 1
2 383 . 19 1 1 A 46 46 ASN CA C 46 50.600 51.485 -0.885 1
2 384 . 19 1 1 A 46 46 ASN CB C 46 41.000 41.613 -0.613 1
2 385 . 19 1 1 A 46 46 ASN N N 46 123.300 123.716 -0.416 1
2 387 . 19 1 1 A 47 47 SER H H 47 9.730 9.062 0.668 1
2 388 . 19 1 1 A 47 47 SER HA H 47 4.320 4.429 -0.109 1
2 391 . 19 1 1 A 47 47 SER C C 47 175.200 175.682 -0.482 1
2 392 . 19 1 1 A 47 47 SER CA C 47 61.500 61.808 -0.308 1
2 393 . 19 1 1 A 47 47 SER CB C 47 63.100 62.766 0.334 1
2 394 . 19 1 1 A 47 47 SER N N 47 115.000 119.237 -4.237 1
2 395 . 19 1 1 A 48 48 MET H H 48 7.650 8.022 -0.372 1
2 396 . 19 1 1 A 48 48 MET HA H 48 4.730 4.580 0.150 1
2 399 . 19 1 1 A 48 48 MET C C 48 175.800 176.194 -0.394 1
2 400 . 19 1 1 A 48 48 MET CA C 48 54.500 55.811 -1.311 1
2 401 . 19 1 1 A 48 48 MET CB C 48 31.600 33.302 -1.702 1
2 402 . 19 1 1 A 48 48 MET N N 48 120.300 119.245 1.055 1
2 403 . 19 1 1 A 49 49 ASN H H 49 8.430 8.231 0.199 1
2 404 . 19 1 1 A 49 49 ASN HA H 49 4.210 4.450 -0.240 1
2 409 . 19 1 1 A 49 49 ASN C C 49 174.200 174.209 -0.009 1
2 410 . 19 1 1 A 49 49 ASN CA C 49 54.900 54.352 0.548 1
2 411 . 19 1 1 A 49 49 ASN CB C 49 37.100 36.538 0.562 1
2 412 . 19 1 1 A 49 49 ASN N N 49 113.400 117.027 -3.627 1
2 414 . 19 1 1 A 50 50 LYS H H 50 8.090 7.795 0.295 1
2 415 . 19 1 1 A 50 50 LYS HA H 50 4.560 4.288 0.272 1
2 418 . 19 1 1 A 50 50 LYS C C 50 175.500 175.611 -0.111 1
2 419 . 19 1 1 A 50 50 LYS CA C 50 55.600 56.615 -1.015 1
2 420 . 19 1 1 A 50 50 LYS CB C 50 33.300 33.047 0.253 1
2 421 . 19 1 1 A 50 50 LYS N N 50 121.000 120.936 0.064 1
2 422 . 19 1 1 A 51 51 THR H H 51 8.310 8.643 -0.333 1
2 423 . 19 1 1 A 51 51 THR HA H 51 5.730 5.130 0.600 1
2 425 . 19 1 1 A 51 51 THR C C 51 174.600 173.760 0.840 1
2 426 . 19 1 1 A 51 51 THR CA C 51 59.300 60.326 -1.026 1
2 427 . 19 1 1 A 51 51 THR CB C 51 71.900 70.949 0.951 1
2 428 . 19 1 1 A 51 51 THR N N 51 113.800 117.446 -3.646 1
2 429 . 19 1 1 A 52 52 GLY H H 52 8.630 8.475 0.155 1
2 430 . 19 1 1 A 52 52 GLY HA2 H 52 4.090 4.397 -0.307 1
2 431 . 19 1 1 A 52 52 GLY HA3 H 52 3.920 4.447 -0.527 1
2 432 . 19 1 1 A 52 52 GLY C C 52 170.500 171.897 -1.397 1
2 433 . 19 1 1 A 52 52 GLY CA C 52 45.600 44.267 1.333 1
2 434 . 19 1 1 A 52 52 GLY N N 52 107.900 113.533 -5.633 1
2 435 . 19 1 1 A 53 53 PHE H H 53 9.030 8.904 0.126 1
2 436 . 19 1 1 A 53 53 PHE HA H 53 5.850 5.095 0.755 1
2 439 . 19 1 1 A 53 53 PHE C C 53 176.400 176.011 0.389 1
2 440 . 19 1 1 A 53 53 PHE CA C 53 58.000 58.190 -0.190 1
2 441 . 19 1 1 A 53 53 PHE CB C 53 42.800 40.364 2.436 1
2 442 . 19 1 1 A 53 53 PHE N N 53 118.200 119.349 -1.149 1
2 443 . 19 1 1 A 54 54 VAL H H 54 9.150 8.896 0.254 1
2 444 . 19 1 1 A 54 54 VAL HA H 54 4.790 5.228 -0.438 1
2 445 . 19 1 1 A 54 54 VAL CA C 54 57.600 58.324 -0.724 1
2 446 . 19 1 1 A 54 54 VAL CB C 54 33.300 34.633 -1.333 1
2 447 . 19 1 1 A 54 54 VAL N N 54 112.100 117.843 -5.743 1
2 448 . 19 1 1 A 57 57 ASN HA H 57 4.480 4.539 -0.059 1
2 453 . 19 1 1 A 57 57 ASN C C 57 175.500 176.048 -0.548 1
2 454 . 19 1 1 A 57 57 ASN CA C 57 53.900 54.142 -0.242 1
2 455 . 19 1 1 A 57 57 ASN CB C 57 36.600 39.149 -2.549 1
2 457 . 19 1 1 A 58 58 TYR H H 58 7.950 8.072 -0.122 1
2 458 . 19 1 1 A 58 58 TYR HA H 58 4.460 4.720 -0.260 1
2 461 . 19 1 1 A 58 58 TYR C C 58 175.200 175.801 -0.601 1
2 462 . 19 1 1 A 58 58 TYR CA C 58 59.100 58.723 0.377 1
2 463 . 19 1 1 A 58 58 TYR CB C 58 38.100 40.397 -2.297 1
2 464 . 19 1 1 A 58 58 TYR N N 58 118.400 114.929 3.471 1
2 465 . 19 1 1 A 59 59 VAL H H 59 7.300 7.398 -0.098 1
2 466 . 19 1 1 A 59 59 VAL HA H 59 5.080 4.985 0.095 1
2 468 . 19 1 1 A 59 59 VAL C C 59 173.100 174.295 -1.195 1
2 469 . 19 1 1 A 59 59 VAL CA C 59 58.700 59.544 -0.844 1
2 470 . 19 1 1 A 59 59 VAL CB C 59 35.500 34.597 0.903 1
2 471 . 19 1 1 A 59 59 VAL N N 59 111.800 114.521 -2.721 1
2 472 . 19 1 1 A 60 60 GLU H H 60 8.680 8.700 -0.020 1
2 473 . 19 1 1 A 60 60 GLU HA H 60 4.790 4.757 0.033 1
2 476 . 19 1 1 A 60 60 GLU C C 60 175.600 174.769 0.831 1
2 477 . 19 1 1 A 60 60 GLU CA C 60 54.400 55.549 -1.149 1
2 478 . 19 1 1 A 60 60 GLU CB C 60 33.300 33.703 -0.403 1
2 479 . 19 1 1 A 60 60 GLU N N 60 118.900 120.711 -1.811 1
2 480 . 19 1 1 A 61 61 ARG H H 61 9.070 8.662 0.408 1
2 481 . 19 1 1 A 61 61 ARG HA H 61 4.540 4.652 -0.112 1
2 485 . 19 1 1 A 61 61 ARG C C 61 175.900 175.720 0.180 1
2 486 . 19 1 1 A 61 61 ARG CA C 61 56.500 56.416 0.084 1
2 487 . 19 1 1 A 61 61 ARG CB C 61 31.200 30.395 0.805 1
2 488 . 19 1 1 A 61 61 ARG N N 61 125.400 123.440 1.960 1
2 490 . 19 1 1 A 62 62 LYS H H 62 8.540 8.849 -0.309 1
2 491 . 19 1 1 A 62 62 LYS HA H 62 4.370 4.337 0.033 1
2 494 . 19 1 1 A 62 62 LYS C C 62 176.000 176.126 -0.126 1
2 495 . 19 1 1 A 62 62 LYS CA C 62 55.900 55.815 0.085 1
2 496 . 19 1 1 A 62 62 LYS CB C 62 33.200 33.655 -0.455 1
2 497 . 19 1 1 A 62 62 LYS N N 62 124.400 123.726 0.674 1
2 498 . 19 1 1 A 63 63 ASN H H 63 8.650 8.741 -0.091 1
2 499 . 19 1 1 A 63 63 ASN HA H 63 4.740 5.241 -0.501 1
2 504 . 19 1 1 A 63 63 ASN C C 63 175.300 175.788 -0.488 1
2 505 . 19 1 1 A 63 63 ASN CA C 63 53.300 52.315 0.985 1
2 506 . 19 1 1 A 63 63 ASN CB C 63 39.000 39.317 -0.317 1
2 507 . 19 1 1 A 63 63 ASN N N 63 121.200 120.248 0.952 1
2 509 . 19 1 1 A 64 64 SER H H 64 8.370 8.003 0.367 1
2 510 . 19 1 1 A 64 64 SER HA H 64 4.420 4.297 0.123 1
2 513 . 19 1 1 A 64 64 SER C C 64 174.300 176.504 -2.204 1
2 514 . 19 1 1 A 64 64 SER CA C 64 58.400 61.184 -2.784 1
2 515 . 19 1 1 A 64 64 SER CB C 64 63.900 63.256 0.644 1
2 516 . 19 1 1 A 64 64 SER N N 64 116.900 115.814 1.086 1
2 517 . 19 1 1 A 65 65 ALA H H 65 8.370 7.865 0.505 1
2 518 . 19 1 1 A 65 65 ALA HA H 65 4.330 4.053 0.277 1
2 522 . 19 1 1 A 65 65 ALA C C 65 177.800 177.949 -0.149 1
2 523 . 19 1 1 A 65 65 ALA CA C 65 52.700 54.764 -2.064 1
2 524 . 19 1 1 A 65 65 ALA CB C 65 19.300 19.038 0.262 1
2 525 . 19 1 1 A 65 65 ALA N N 65 126.000 122.259 3.741 1
2 526 . 19 1 1 A 66 66 ARG H H 66 8.230 7.839 0.391 1
2 527 . 19 1 1 A 66 66 ARG HA H 66 4.300 4.150 0.150 1
2 531 . 19 1 1 A 66 66 ARG C C 66 176.100 176.274 -0.174 1
2 532 . 19 1 1 A 66 66 ARG CA C 66 56.000 58.190 -2.190 1
2 533 . 19 1 1 A 66 66 ARG CB C 66 30.800 29.012 1.788 1
2 534 . 19 1 1 A 66 66 ARG N N 66 120.400 115.130 5.270 1
2 536 . 19 1 1 A 67 67 ALA H H 67 8.290 8.583 -0.293 1
2 537 . 19 1 1 A 67 67 ALA HA H 67 4.290 4.021 0.269 1
2 541 . 19 1 1 A 67 67 ALA C C 67 177.600 179.631 -2.031 1
2 542 . 19 1 1 A 67 67 ALA CA C 67 52.500 54.901 -2.401 1
2 543 . 19 1 1 A 67 67 ALA CB C 67 19.200 18.907 0.293 1
2 544 . 19 1 1 A 67 67 ALA N N 67 125.700 124.372 1.328 1
2 545 . 19 1 1 A 68 68 ALA H H 68 8.270 8.049 0.221 1
2 546 . 19 1 1 A 68 68 ALA HA H 68 4.290 4.057 0.233 1
2 550 . 19 1 1 A 68 68 ALA C C 68 178.600 179.434 -0.834 1
2 551 . 19 1 1 A 68 68 ALA CA C 68 52.400 55.369 -2.969 1
2 552 . 19 1 1 A 68 68 ALA CB C 68 19.200 18.646 0.554 1
2 553 . 19 1 1 A 68 68 ALA N N 68 123.100 119.716 3.384 1
2 554 . 19 1 1 A 69 69 ALA H H 69 8.260 7.627 0.633 1
2 555 . 19 1 1 A 69 69 ALA HA H 69 4.300 4.166 0.134 1
2 559 . 19 1 1 A 69 69 ALA C C 69 177.600 178.312 -0.712 1
2 560 . 19 1 1 A 69 69 ALA CA C 69 52.500 52.703 -0.203 1
2 561 . 19 1 1 A 69 69 ALA CB C 69 19.200 19.583 -0.383 1
2 562 . 19 1 1 A 69 69 ALA N N 69 123.500 120.663 2.837 1
2 563 . 19 1 1 A 70 70 ASN H H 70 8.390 9.034 -0.644 1
2 564 . 19 1 1 A 70 70 ASN HA H 70 4.750 4.324 0.426 1
2 567 . 19 1 1 A 70 70 ASN C C 70 175.200 174.585 0.615 1
2 568 . 19 1 1 A 70 70 ASN CA C 70 53.300 53.892 -0.592 1
2 569 . 19 1 1 A 70 70 ASN CB C 70 39.000 36.957 2.043 1
2 570 . 19 1 1 A 70 70 ASN N N 70 117.500 119.865 -2.365 1
2 571 . 19 1 1 A 71 71 SER H H 71 8.240 8.127 0.113 1
2 572 . 19 1 1 A 71 71 SER HA H 71 4.520 4.815 -0.295 1
2 575 . 19 1 1 A 71 71 SER C C 71 173.700 174.142 -0.442 1
2 576 . 19 1 1 A 71 71 SER CA C 71 58.400 56.527 1.873 1
2 577 . 19 1 1 A 71 71 SER CB C 71 64.200 63.956 0.244 1
2 578 . 19 1 1 A 71 71 SER N N 71 116.200 122.696 -6.496 1
2 5 . 20 1 1 A 2 2 SER H H 2 8.720 8.723 -0.003 1
2 6 . 20 1 1 A 2 2 SER HA H 2 4.600 4.773 -0.173 1
2 9 . 20 1 1 A 2 2 SER C C 2 174.800 173.167 1.633 1
2 10 . 20 1 1 A 2 2 SER CA C 2 58.300 57.303 0.997 1
2 11 . 20 1 1 A 2 2 SER CB C 2 64.000 66.328 -2.328 1
2 12 . 20 1 1 A 2 2 SER N N 2 115.900 115.617 0.283 1
2 13 . 20 1 1 A 3 3 THR H H 3 8.340 8.549 -0.209 1
2 14 . 20 1 1 A 3 3 THR HA H 3 4.390 4.125 0.265 1
2 16 . 20 1 1 A 3 3 THR C C 3 174.600 174.441 0.159 1
2 17 . 20 1 1 A 3 3 THR CA C 3 62.000 64.446 -2.446 1
2 18 . 20 1 1 A 3 3 THR CB C 3 69.800 68.730 1.070 1
2 19 . 20 1 1 A 3 3 THR N N 3 116.100 116.048 0.052 1
2 20 . 20 1 1 A 4 4 MET H H 4 8.430 8.826 -0.396 1
2 21 . 20 1 1 A 4 4 MET HA H 4 4.460 4.613 -0.153 1
2 24 . 20 1 1 A 4 4 MET C C 4 175.800 175.543 0.257 1
2 25 . 20 1 1 A 4 4 MET CA C 4 55.600 56.655 -1.055 1
2 26 . 20 1 1 A 4 4 MET CB C 4 33.000 35.190 -2.190 1
2 27 . 20 1 1 A 4 4 MET N N 4 122.900 125.279 -2.379 1
2 28 . 20 1 1 A 5 5 ALA H H 5 8.330 7.937 0.393 1
2 29 . 20 1 1 A 5 5 ALA HA H 5 4.310 4.277 0.033 1
2 33 . 20 1 1 A 5 5 ALA C C 5 177.500 177.714 -0.214 1
2 34 . 20 1 1 A 5 5 ALA CA C 5 52.600 52.073 0.527 1
2 35 . 20 1 1 A 5 5 ALA CB C 5 19.200 19.832 -0.632 1
2 36 . 20 1 1 A 5 5 ALA N N 5 125.600 122.879 2.721 1
2 37 . 20 1 1 A 6 6 GLU H H 6 8.220 9.063 -0.843 1
2 38 . 20 1 1 A 6 6 GLU HA H 6 4.310 3.938 0.372 1
2 41 . 20 1 1 A 6 6 GLU C C 6 176.200 174.935 1.265 1
2 42 . 20 1 1 A 6 6 GLU CA C 6 56.100 57.219 -1.119 1
2 43 . 20 1 1 A 6 6 GLU CB C 6 30.600 28.302 2.298 1
2 44 . 20 1 1 A 6 6 GLU N N 6 119.900 120.512 -0.612 1
2 45 . 20 1 1 A 7 7 GLU H H 7 8.450 8.699 -0.249 1
2 46 . 20 1 1 A 7 7 GLU HA H 7 4.440 4.811 -0.371 1
2 49 . 20 1 1 A 7 7 GLU C C 7 176.000 174.619 1.381 1
2 50 . 20 1 1 A 7 7 GLU CA C 7 56.500 55.981 0.519 1
2 51 . 20 1 1 A 7 7 GLU CB C 7 30.700 33.469 -2.769 1
2 52 . 20 1 1 A 7 7 GLU N N 7 122.400 124.759 -2.359 1
2 53 . 20 1 1 A 8 8 VAL H H 8 8.490 8.723 -0.233 1
2 54 . 20 1 1 A 8 8 VAL HA H 8 4.210 4.845 -0.635 1
2 56 . 20 1 1 A 8 8 VAL C C 8 175.900 175.047 0.853 1
2 57 . 20 1 1 A 8 8 VAL CA C 8 62.200 60.701 1.499 1
2 58 . 20 1 1 A 8 8 VAL CB C 8 33.300 35.473 -2.173 1
2 59 . 20 1 1 A 8 8 VAL N N 8 123.400 125.389 -1.989 1
2 60 . 20 1 1 A 9 9 VAL H H 9 8.360 8.893 -0.533 1
2 61 . 20 1 1 A 9 9 VAL HA H 9 4.430 4.935 -0.505 1
2 63 . 20 1 1 A 9 9 VAL C C 9 176.300 174.835 1.465 1
2 64 . 20 1 1 A 9 9 VAL CA C 9 61.700 59.480 2.220 1
2 65 . 20 1 1 A 9 9 VAL CB C 9 33.000 34.728 -1.728 1
2 66 . 20 1 1 A 9 9 VAL N N 9 126.800 121.185 5.615 1
2 67 . 20 1 1 A 10 10 VAL H H 10 8.900 8.685 0.215 1
2 68 . 20 1 1 A 10 10 VAL HA H 10 4.980 5.397 -0.417 1
2 70 . 20 1 1 A 10 10 VAL C C 10 173.400 174.064 -0.664 1
2 71 . 20 1 1 A 10 10 VAL CA C 10 58.300 59.668 -1.368 1
2 72 . 20 1 1 A 10 10 VAL CB C 10 35.100 34.923 0.177 1
2 73 . 20 1 1 A 10 10 VAL N N 10 119.700 121.581 -1.881 1
2 74 . 20 1 1 A 11 11 VAL H H 11 8.550 9.345 -0.795 1
2 75 . 20 1 1 A 11 11 VAL HA H 11 5.000 4.749 0.251 1
2 77 . 20 1 1 A 11 11 VAL C C 11 176.700 174.509 2.191 1
2 78 . 20 1 1 A 11 11 VAL CA C 11 59.600 59.841 -0.241 1
2 79 . 20 1 1 A 11 11 VAL CB C 11 35.100 34.013 1.087 1
2 80 . 20 1 1 A 11 11 VAL N N 11 118.700 125.704 -7.004 1
2 81 . 20 1 1 A 12 12 ALA H H 12 8.770 8.422 0.348 1
2 82 . 20 1 1 A 12 12 ALA HA H 12 4.580 5.160 -0.580 1
2 86 . 20 1 1 A 12 12 ALA C C 12 178.600 176.935 1.665 1
2 87 . 20 1 1 A 12 12 ALA CA C 12 52.800 50.598 2.202 1
2 88 . 20 1 1 A 12 12 ALA CB C 12 19.900 20.674 -0.774 1
2 89 . 20 1 1 A 12 12 ALA N N 12 128.500 129.389 -0.889 1
2 90 . 20 1 1 A 13 13 LYS H H 13 9.370 9.178 0.192 1
2 91 . 20 1 1 A 13 13 LYS HA H 13 3.850 4.287 -0.437 1
2 94 . 20 1 1 A 13 13 LYS C C 13 174.700 176.279 -1.579 1
2 95 . 20 1 1 A 13 13 LYS CA C 13 57.300 56.612 0.688 1
2 96 . 20 1 1 A 13 13 LYS CB C 13 33.800 33.841 -0.041 1
2 97 . 20 1 1 A 13 13 LYS N N 13 126.700 121.760 4.940 1
2 98 . 20 1 1 A 14 14 PHE H H 14 7.140 7.874 -0.734 1
2 99 . 20 1 1 A 14 14 PHE HA H 14 4.800 5.143 -0.343 1
2 102 . 20 1 1 A 14 14 PHE C C 14 173.600 174.559 -0.959 1
2 103 . 20 1 1 A 14 14 PHE CA C 14 53.700 56.700 -3.000 1
2 104 . 20 1 1 A 14 14 PHE CB C 14 43.700 43.525 0.175 1
2 105 . 20 1 1 A 14 14 PHE N N 14 111.600 117.004 -5.404 1
2 106 . 20 1 1 A 15 15 ASP H H 15 8.360 8.981 -0.621 1
2 107 . 20 1 1 A 15 15 ASP HA H 15 4.790 5.688 -0.898 1
2 110 . 20 1 1 A 15 15 ASP C C 15 176.400 174.550 1.850 1
2 111 . 20 1 1 A 15 15 ASP CA C 15 54.700 53.038 1.662 1
2 112 . 20 1 1 A 15 15 ASP CB C 15 41.600 43.165 -1.565 1
2 113 . 20 1 1 A 15 15 ASP N N 15 117.400 119.237 -1.837 1
2 114 . 20 1 1 A 16 16 TYR H H 16 8.860 8.869 -0.009 1
2 115 . 20 1 1 A 16 16 TYR HA H 16 4.750 5.217 -0.467 1
2 118 . 20 1 1 A 16 16 TYR C C 16 173.700 173.625 0.075 1
2 119 . 20 1 1 A 16 16 TYR CA C 16 59.500 56.832 2.668 1
2 120 . 20 1 1 A 16 16 TYR CB C 16 41.500 42.206 -0.706 1
2 121 . 20 1 1 A 16 16 TYR N N 16 121.000 123.553 -2.553 1
2 122 . 20 1 1 A 17 17 VAL H H 17 7.180 8.344 -1.164 1
2 123 . 20 1 1 A 17 17 VAL HA H 17 4.150 4.217 -0.067 1
2 125 . 20 1 1 A 17 17 VAL C C 17 174.500 175.303 -0.803 1
2 126 . 20 1 1 A 17 17 VAL CA C 17 60.600 60.819 -0.219 1
2 127 . 20 1 1 A 17 17 VAL CB C 17 32.300 32.806 -0.506 1
2 128 . 20 1 1 A 17 17 VAL N N 17 129.100 123.763 5.337 1
2 129 . 20 1 1 A 18 18 ALA H H 18 8.640 8.307 0.333 1
2 130 . 20 1 1 A 18 18 ALA HA H 18 4.230 4.736 -0.506 1
2 134 . 20 1 1 A 18 18 ALA C C 18 179.100 177.811 1.289 1
2 135 . 20 1 1 A 18 18 ALA CA C 18 53.300 51.597 1.703 1
2 136 . 20 1 1 A 18 18 ALA CB C 18 19.900 18.269 1.631 1
2 137 . 20 1 1 A 18 18 ALA N N 18 128.900 131.360 -2.460 1
2 138 . 20 1 1 A 19 19 GLN H H 19 9.080 8.134 0.946 1
2 139 . 20 1 1 A 19 19 GLN HA H 19 4.320 3.970 0.350 1
2 144 . 20 1 1 A 19 19 GLN C C 19 175.500 177.125 -1.625 1
2 145 . 20 1 1 A 19 19 GLN CA C 19 55.100 59.401 -4.301 1
2 146 . 20 1 1 A 19 19 GLN CB C 19 31.200 28.559 2.641 1
2 148 . 20 1 1 A 19 19 GLN N N 19 120.400 124.609 -4.209 1
2 150 . 20 1 1 A 20 20 GLN H H 20 7.220 8.066 -0.846 1
2 151 . 20 1 1 A 20 20 GLN HA H 20 4.590 4.394 0.196 1
2 156 . 20 1 1 A 20 20 GLN C C 20 176.800 176.729 0.071 1
2 157 . 20 1 1 A 20 20 GLN CA C 20 53.900 55.211 -1.311 1
2 158 . 20 1 1 A 20 20 GLN CB C 20 32.400 29.438 2.962 1
2 159 . 20 1 1 A 20 20 GLN N N 20 114.500 117.926 -3.426 1
2 161 . 20 1 1 A 21 21 GLU H H 21 8.980 8.895 0.085 1
2 162 . 20 1 1 A 21 21 GLU HA H 21 4.090 4.069 0.021 1
2 164 . 20 1 1 A 21 21 GLU C C 21 176.900 178.081 -1.181 1
2 165 . 20 1 1 A 21 21 GLU CA C 21 59.500 58.569 0.931 1
2 166 . 20 1 1 A 21 21 GLU CB C 21 29.700 29.157 0.543 1
2 167 . 20 1 1 A 21 21 GLU N N 21 121.600 122.713 -1.113 1
2 168 . 20 1 1 A 22 22 GLN H H 22 8.470 7.934 0.536 1
2 169 . 20 1 1 A 22 22 GLN HA H 22 4.540 4.157 0.383 1
2 174 . 20 1 1 A 22 22 GLN C C 22 176.700 176.482 0.218 1
2 175 . 20 1 1 A 22 22 GLN CA C 22 56.700 58.316 -1.616 1
2 176 . 20 1 1 A 22 22 GLN CB C 22 28.000 28.615 -0.615 1
2 178 . 20 1 1 A 22 22 GLN N N 22 113.600 119.839 -6.239 1
2 180 . 20 1 1 A 23 23 GLU H H 23 7.730 7.946 -0.216 1
2 181 . 20 1 1 A 23 23 GLU HA H 23 5.340 4.971 0.369 1
2 184 . 20 1 1 A 23 23 GLU C C 23 174.700 175.405 -0.705 1
2 185 . 20 1 1 A 23 23 GLU CA C 23 55.600 56.785 -1.185 1
2 186 . 20 1 1 A 23 23 GLU CB C 23 32.400 30.962 1.438 1
2 187 . 20 1 1 A 23 23 GLU N N 23 120.200 118.901 1.299 1
2 188 . 20 1 1 A 24 24 LEU H H 24 7.900 8.313 -0.413 1
2 189 . 20 1 1 A 24 24 LEU HA H 24 4.680 5.188 -0.508 1
2 192 . 20 1 1 A 24 24 LEU C C 24 174.300 175.820 -1.520 1
2 193 . 20 1 1 A 24 24 LEU CA C 24 53.200 53.615 -0.415 1
2 194 . 20 1 1 A 24 24 LEU CB C 24 46.500 45.857 0.643 1
2 195 . 20 1 1 A 24 24 LEU N N 24 122.400 123.328 -0.928 1
2 196 . 20 1 1 A 25 25 ASP H H 25 7.640 8.847 -1.207 1
2 197 . 20 1 1 A 25 25 ASP HA H 25 5.160 4.683 0.477 1
2 200 . 20 1 1 A 25 25 ASP C C 25 176.800 176.796 0.004 1
2 201 . 20 1 1 A 25 25 ASP CA C 25 54.200 54.748 -0.548 1
2 202 . 20 1 1 A 25 25 ASP CB C 25 42.300 41.026 1.274 1
2 203 . 20 1 1 A 25 25 ASP N N 25 121.400 125.096 -3.696 1
2 204 . 20 1 1 A 26 26 ILE H H 26 8.930 8.581 0.349 1
2 205 . 20 1 1 A 26 26 ILE HA H 26 5.120 5.254 -0.134 1
2 207 . 20 1 1 A 26 26 ILE C C 26 175.200 174.340 0.860 1
2 208 . 20 1 1 A 26 26 ILE CA C 26 59.700 58.937 0.763 1
2 209 . 20 1 1 A 26 26 ILE CB C 26 42.400 42.035 0.365 1
2 210 . 20 1 1 A 26 26 ILE N N 26 115.600 119.744 -4.144 1
2 211 . 20 1 1 A 27 27 LYS H H 27 8.930 8.756 0.174 1
2 212 . 20 1 1 A 27 27 LYS HA H 27 5.090 4.794 0.296 1
2 215 . 20 1 1 A 27 27 LYS C C 27 175.300 174.669 0.631 1
2 216 . 20 1 1 A 27 27 LYS CA C 27 52.900 55.093 -2.193 1
2 217 . 20 1 1 A 27 27 LYS CB C 27 35.400 36.599 -1.199 1
2 218 . 20 1 1 A 27 27 LYS N N 27 123.000 121.747 1.253 1
2 219 . 20 1 1 A 28 28 LYS H H 28 8.990 8.585 0.405 1
2 220 . 20 1 1 A 28 28 LYS HA H 28 3.110 3.923 -0.813 1
2 222 . 20 1 1 A 28 28 LYS C C 28 177.000 177.273 -0.273 1
2 223 . 20 1 1 A 28 28 LYS CA C 28 59.200 58.292 0.908 1
2 224 . 20 1 1 A 28 28 LYS CB C 28 32.600 32.133 0.467 1
2 225 . 20 1 1 A 28 28 LYS N N 28 121.200 126.440 -5.240 1
2 226 . 20 1 1 A 29 29 ASN H H 29 8.700 8.955 -0.255 1
2 227 . 20 1 1 A 29 29 ASN HA H 29 4.180 4.262 -0.082 1
2 232 . 20 1 1 A 29 29 ASN C C 29 174.200 173.396 0.804 1
2 233 . 20 1 1 A 29 29 ASN CA C 29 55.900 54.370 1.530 1
2 234 . 20 1 1 A 29 29 ASN CB C 29 37.400 37.166 0.234 1
2 235 . 20 1 1 A 29 29 ASN N N 29 118.300 118.461 -0.161 1
2 237 . 20 1 1 A 30 30 GLU H H 30 8.660 7.569 1.091 1
2 238 . 20 1 1 A 30 30 GLU HA H 30 4.160 4.752 -0.592 1
2 241 . 20 1 1 A 30 30 GLU C C 30 175.200 174.991 0.209 1
2 242 . 20 1 1 A 30 30 GLU CA C 30 57.700 55.219 2.481 1
2 243 . 20 1 1 A 30 30 GLU CB C 30 31.800 31.849 -0.049 1
2 244 . 20 1 1 A 30 30 GLU N N 30 124.200 117.820 6.380 1
2 245 . 20 1 1 A 31 31 ARG H H 31 8.490 8.780 -0.290 1
2 246 . 20 1 1 A 31 31 ARG HA H 31 4.580 4.600 -0.020 1
2 250 . 20 1 1 A 31 31 ARG C C 31 175.000 175.478 -0.478 1
2 251 . 20 1 1 A 31 31 ARG CA C 31 56.200 55.919 0.281 1
2 252 . 20 1 1 A 31 31 ARG CB C 31 30.800 30.884 -0.084 1
2 253 . 20 1 1 A 31 31 ARG N N 31 125.000 126.405 -1.405 1
2 255 . 20 1 1 A 32 32 LEU H H 32 8.860 8.953 -0.093 1
2 256 . 20 1 1 A 32 32 LEU HA H 32 4.840 4.575 0.265 1
2 259 . 20 1 1 A 32 32 LEU C C 32 174.400 175.404 -1.004 1
2 260 . 20 1 1 A 32 32 LEU CA C 32 53.300 52.909 0.391 1
2 261 . 20 1 1 A 32 32 LEU CB C 32 46.300 45.379 0.921 1
2 262 . 20 1 1 A 32 32 LEU N N 32 125.600 125.061 0.539 1
2 263 . 20 1 1 A 33 33 TRP H H 33 9.160 8.619 0.541 1
2 264 . 20 1 1 A 33 33 TRP HA H 33 5.100 5.224 -0.124 1
2 268 . 20 1 1 A 33 33 TRP C C 33 176.000 175.620 0.380 1
2 269 . 20 1 1 A 33 33 TRP CA C 33 58.300 56.101 2.199 1
2 270 . 20 1 1 A 33 33 TRP CB C 33 31.000 30.058 0.942 1
2 271 . 20 1 1 A 33 33 TRP N N 33 121.000 121.029 -0.029 1
2 273 . 20 1 1 A 34 34 LEU H H 34 9.130 8.295 0.835 1
2 274 . 20 1 1 A 34 34 LEU HA H 34 4.330 4.380 -0.050 1
2 277 . 20 1 1 A 34 34 LEU C C 34 175.400 176.066 -0.666 1
2 278 . 20 1 1 A 34 34 LEU CA C 34 55.600 55.781 -0.181 1
2 279 . 20 1 1 A 34 34 LEU CB C 34 43.700 42.280 1.420 1
2 280 . 20 1 1 A 34 34 LEU N N 34 125.100 127.552 -2.452 1
2 281 . 20 1 1 A 35 35 LEU H H 35 9.020 9.107 -0.087 1
2 282 . 20 1 1 A 35 35 LEU HA H 35 4.620 4.364 0.256 1
2 285 . 20 1 1 A 35 35 LEU C C 35 177.400 176.540 0.860 1
2 286 . 20 1 1 A 35 35 LEU CA C 35 55.400 55.965 -0.565 1
2 287 . 20 1 1 A 35 35 LEU CB C 35 42.600 42.699 -0.099 1
2 288 . 20 1 1 A 35 35 LEU N N 35 126.300 127.730 -1.430 1
2 289 . 20 1 1 A 36 36 ASP H H 36 7.460 7.728 -0.268 1
2 290 . 20 1 1 A 36 36 ASP HA H 36 4.760 5.001 -0.241 1
2 293 . 20 1 1 A 36 36 ASP C C 36 175.000 175.084 -0.084 1
2 294 . 20 1 1 A 36 36 ASP CA C 36 55.200 52.999 2.201 1
2 295 . 20 1 1 A 36 36 ASP CB C 36 43.400 42.765 0.635 1
2 296 . 20 1 1 A 36 36 ASP N N 36 115.400 117.564 -2.164 1
2 297 . 20 1 1 A 37 37 ASP H H 37 8.330 8.375 -0.045 1
2 298 . 20 1 1 A 37 37 ASP HA H 37 3.940 4.722 -0.782 1
2 301 . 20 1 1 A 37 37 ASP C C 37 176.400 176.761 -0.361 1
2 302 . 20 1 1 A 37 37 ASP CA C 37 52.200 52.446 -0.246 1
2 303 . 20 1 1 A 37 37 ASP CB C 37 39.900 39.606 0.294 1
2 304 . 20 1 1 A 37 37 ASP N N 37 128.400 123.518 4.882 1
2 305 . 20 1 1 A 38 38 SER H H 38 8.470 8.149 0.321 1
2 306 . 20 1 1 A 38 38 SER HA H 38 4.210 4.594 -0.384 1
2 309 . 20 1 1 A 38 38 SER C C 38 175.300 174.420 0.880 1
2 310 . 20 1 1 A 38 38 SER CA C 38 61.600 60.910 0.690 1
2 311 . 20 1 1 A 38 38 SER CB C 38 64.100 64.349 -0.249 1
2 312 . 20 1 1 A 38 38 SER N N 38 115.700 114.346 1.354 1
2 313 . 20 1 1 A 39 39 LYS H H 39 8.440 7.641 0.799 1
2 314 . 20 1 1 A 39 39 LYS HA H 39 4.910 4.488 0.422 1
2 317 . 20 1 1 A 39 39 LYS C C 39 175.900 177.756 -1.856 1
2 318 . 20 1 1 A 39 39 LYS CA C 39 55.000 55.997 -0.997 1
2 319 . 20 1 1 A 39 39 LYS CB C 39 34.300 33.437 0.863 1
2 320 . 20 1 1 A 39 39 LYS N N 39 122.300 119.903 2.397 1
2 321 . 20 1 1 A 40 40 SER H H 40 8.360 9.000 -0.640 1
2 322 . 20 1 1 A 40 40 SER HA H 40 4.310 4.222 0.088 1
2 325 . 20 1 1 A 40 40 SER C C 40 175.200 174.475 0.725 1
2 326 . 20 1 1 A 40 40 SER CA C 40 60.900 61.873 -0.973 1
2 327 . 20 1 1 A 40 40 SER CB C 40 63.100 63.249 -0.149 1
2 328 . 20 1 1 A 40 40 SER N N 40 112.600 117.963 -5.363 1
2 329 . 20 1 1 A 41 41 TRP H H 41 7.440 8.224 -0.784 1
2 330 . 20 1 1 A 41 41 TRP HA H 41 4.840 4.886 -0.046 1
2 334 . 20 1 1 A 41 41 TRP C C 41 175.500 176.454 -0.954 1
2 335 . 20 1 1 A 41 41 TRP CA C 41 56.800 56.791 0.009 1
2 336 . 20 1 1 A 41 41 TRP CB C 41 29.600 29.630 -0.030 1
2 337 . 20 1 1 A 41 41 TRP N N 41 121.300 119.489 1.811 1
2 339 . 20 1 1 A 42 42 TRP H H 42 9.350 9.349 0.001 1
2 340 . 20 1 1 A 42 42 TRP HA H 42 5.440 4.982 0.458 1
2 344 . 20 1 1 A 42 42 TRP C C 42 175.000 175.983 -0.983 1
2 345 . 20 1 1 A 42 42 TRP CA C 42 54.300 57.744 -3.444 1
2 346 . 20 1 1 A 42 42 TRP CB C 42 30.800 29.455 1.345 1
2 347 . 20 1 1 A 42 42 TRP N N 42 125.400 125.437 -0.037 1
2 349 . 20 1 1 A 43 43 ARG H H 43 8.810 9.252 -0.442 1
2 350 . 20 1 1 A 43 43 ARG HA H 43 4.530 4.432 0.098 1
2 354 . 20 1 1 A 43 43 ARG C C 43 175.600 176.213 -0.613 1
2 355 . 20 1 1 A 43 43 ARG CA C 43 55.400 56.019 -0.619 1
2 356 . 20 1 1 A 43 43 ARG CB C 43 32.200 30.000 2.200 1
2 357 . 20 1 1 A 43 43 ARG N N 43 124.200 126.313 -2.113 1
2 359 . 20 1 1 A 44 44 VAL H H 44 9.210 8.470 0.740 1
2 360 . 20 1 1 A 44 44 VAL HA H 44 5.510 5.203 0.307 1
2 362 . 20 1 1 A 44 44 VAL C C 44 172.800 173.792 -0.992 1
2 363 . 20 1 1 A 44 44 VAL CA C 44 58.800 58.702 0.098 1
2 364 . 20 1 1 A 44 44 VAL CB C 44 36.600 35.789 0.811 1
2 365 . 20 1 1 A 44 44 VAL N N 44 121.400 119.936 1.464 1
2 366 . 20 1 1 A 45 45 ARG H H 45 9.260 9.282 -0.022 1
2 367 . 20 1 1 A 45 45 ARG HA H 45 5.510 5.274 0.236 1
2 371 . 20 1 1 A 45 45 ARG C C 45 175.700 174.485 1.215 1
2 372 . 20 1 1 A 45 45 ARG CA C 45 53.700 53.928 -0.228 1
2 373 . 20 1 1 A 45 45 ARG CB C 45 35.400 33.743 1.657 1
2 374 . 20 1 1 A 45 45 ARG N N 45 120.000 122.166 -2.166 1
2 376 . 20 1 1 A 46 46 ASN H H 46 8.820 9.023 -0.203 1
2 377 . 20 1 1 A 46 46 ASN HA H 46 5.470 5.422 0.048 1
2 382 . 20 1 1 A 46 46 ASN C C 46 178.500 176.902 1.598 1
2 383 . 20 1 1 A 46 46 ASN CA C 46 50.600 51.537 -0.937 1
2 384 . 20 1 1 A 46 46 ASN CB C 46 41.000 41.447 -0.447 1
2 385 . 20 1 1 A 46 46 ASN N N 46 123.300 124.155 -0.855 1
2 387 . 20 1 1 A 47 47 SER H H 47 9.730 9.091 0.639 1
2 388 . 20 1 1 A 47 47 SER HA H 47 4.320 4.435 -0.115 1
2 391 . 20 1 1 A 47 47 SER C C 47 175.200 175.761 -0.561 1
2 392 . 20 1 1 A 47 47 SER CA C 47 61.500 61.882 -0.382 1
2 393 . 20 1 1 A 47 47 SER CB C 47 63.100 62.725 0.375 1
2 394 . 20 1 1 A 47 47 SER N N 47 115.000 119.741 -4.741 1
2 395 . 20 1 1 A 48 48 MET H H 48 7.650 7.577 0.073 1
2 396 . 20 1 1 A 48 48 MET HA H 48 4.730 4.581 0.149 1
2 399 . 20 1 1 A 48 48 MET C C 48 175.800 176.182 -0.382 1
2 400 . 20 1 1 A 48 48 MET CA C 48 54.500 55.814 -1.314 1
2 401 . 20 1 1 A 48 48 MET CB C 48 31.600 33.306 -1.706 1
2 402 . 20 1 1 A 48 48 MET N N 48 120.300 119.249 1.051 1
2 403 . 20 1 1 A 49 49 ASN H H 49 8.430 8.366 0.064 1
2 404 . 20 1 1 A 49 49 ASN HA H 49 4.210 4.451 -0.241 1
2 409 . 20 1 1 A 49 49 ASN C C 49 174.200 174.184 0.016 1
2 410 . 20 1 1 A 49 49 ASN CA C 49 54.900 54.349 0.551 1
2 411 . 20 1 1 A 49 49 ASN CB C 49 37.100 36.535 0.565 1
2 412 . 20 1 1 A 49 49 ASN N N 49 113.400 117.023 -3.623 1
2 414 . 20 1 1 A 50 50 LYS H H 50 8.090 7.855 0.235 1
2 415 . 20 1 1 A 50 50 LYS HA H 50 4.560 4.315 0.245 1
2 418 . 20 1 1 A 50 50 LYS C C 50 175.500 175.635 -0.135 1
2 419 . 20 1 1 A 50 50 LYS CA C 50 55.600 56.582 -0.982 1
2 420 . 20 1 1 A 50 50 LYS CB C 50 33.300 33.078 0.222 1
2 421 . 20 1 1 A 50 50 LYS N N 50 121.000 120.886 0.114 1
2 422 . 20 1 1 A 51 51 THR H H 51 8.310 8.681 -0.371 1
2 423 . 20 1 1 A 51 51 THR HA H 51 5.730 5.182 0.548 1
2 425 . 20 1 1 A 51 51 THR C C 51 174.600 173.741 0.859 1
2 426 . 20 1 1 A 51 51 THR CA C 51 59.300 60.339 -1.039 1
2 427 . 20 1 1 A 51 51 THR CB C 51 71.900 71.061 0.839 1
2 428 . 20 1 1 A 51 51 THR N N 51 113.800 117.351 -3.551 1
2 429 . 20 1 1 A 52 52 GLY H H 52 8.630 8.524 0.106 1
2 430 . 20 1 1 A 52 52 GLY HA2 H 52 4.090 4.381 -0.291 1
2 431 . 20 1 1 A 52 52 GLY HA3 H 52 3.920 4.429 -0.509 1
2 432 . 20 1 1 A 52 52 GLY C C 52 170.500 171.973 -1.473 1
2 433 . 20 1 1 A 52 52 GLY CA C 52 45.600 44.239 1.361 1
2 434 . 20 1 1 A 52 52 GLY N N 52 107.900 113.710 -5.810 1
2 435 . 20 1 1 A 53 53 PHE H H 53 9.030 8.642 0.388 1
2 436 . 20 1 1 A 53 53 PHE HA H 53 5.850 5.062 0.788 1
2 439 . 20 1 1 A 53 53 PHE C C 53 176.400 175.904 0.496 1
2 440 . 20 1 1 A 53 53 PHE CA C 53 58.000 58.233 -0.233 1
2 441 . 20 1 1 A 53 53 PHE CB C 53 42.800 40.540 2.260 1
2 442 . 20 1 1 A 53 53 PHE N N 53 118.200 119.364 -1.164 1
2 443 . 20 1 1 A 54 54 VAL H H 54 9.150 8.944 0.206 1
2 444 . 20 1 1 A 54 54 VAL HA H 54 4.790 5.099 -0.309 1
2 445 . 20 1 1 A 54 54 VAL CA C 54 57.600 58.622 -1.022 1
2 446 . 20 1 1 A 54 54 VAL CB C 54 33.300 35.188 -1.888 1
2 447 . 20 1 1 A 54 54 VAL N N 54 112.100 117.282 -5.182 1
2 448 . 20 1 1 A 57 57 ASN HA H 57 4.480 4.594 -0.114 1
2 453 . 20 1 1 A 57 57 ASN C C 57 175.500 176.035 -0.535 1
2 454 . 20 1 1 A 57 57 ASN CA C 57 53.900 54.472 -0.572 1
2 455 . 20 1 1 A 57 57 ASN CB C 57 36.600 38.722 -2.122 1
2 457 . 20 1 1 A 58 58 TYR H H 58 7.950 7.976 -0.026 1
2 458 . 20 1 1 A 58 58 TYR HA H 58 4.460 4.647 -0.187 1
2 461 . 20 1 1 A 58 58 TYR C C 58 175.200 175.906 -0.706 1
2 462 . 20 1 1 A 58 58 TYR CA C 58 59.100 59.068 0.032 1
2 463 . 20 1 1 A 58 58 TYR CB C 58 38.100 40.381 -2.281 1
2 464 . 20 1 1 A 58 58 TYR N N 58 118.400 116.782 1.618 1
2 465 . 20 1 1 A 59 59 VAL H H 59 7.300 7.512 -0.212 1
2 466 . 20 1 1 A 59 59 VAL HA H 59 5.080 5.274 -0.194 1
2 468 . 20 1 1 A 59 59 VAL C C 59 173.100 174.538 -1.438 1
2 469 . 20 1 1 A 59 59 VAL CA C 59 58.700 59.244 -0.544 1
2 470 . 20 1 1 A 59 59 VAL CB C 59 35.500 34.741 0.759 1
2 471 . 20 1 1 A 59 59 VAL N N 59 111.800 114.642 -2.842 1
2 472 . 20 1 1 A 60 60 GLU H H 60 8.680 8.762 -0.082 1
2 473 . 20 1 1 A 60 60 GLU HA H 60 4.790 4.868 -0.078 1
2 476 . 20 1 1 A 60 60 GLU C C 60 175.600 174.650 0.950 1
2 477 . 20 1 1 A 60 60 GLU CA C 60 54.400 55.550 -1.150 1
2 478 . 20 1 1 A 60 60 GLU CB C 60 33.300 33.956 -0.656 1
2 479 . 20 1 1 A 60 60 GLU N N 60 118.900 120.692 -1.792 1
2 480 . 20 1 1 A 61 61 ARG H H 61 9.070 8.657 0.413 1
2 481 . 20 1 1 A 61 61 ARG HA H 61 4.540 4.661 -0.121 1
2 485 . 20 1 1 A 61 61 ARG C C 61 175.900 175.954 -0.054 1
2 486 . 20 1 1 A 61 61 ARG CA C 61 56.500 56.334 0.166 1
2 487 . 20 1 1 A 61 61 ARG CB C 61 31.200 30.458 0.742 1
2 488 . 20 1 1 A 61 61 ARG N N 61 125.400 122.718 2.682 1
2 490 . 20 1 1 A 62 62 LYS H H 62 8.540 8.387 0.153 1
2 491 . 20 1 1 A 62 62 LYS HA H 62 4.370 4.345 0.025 1
2 494 . 20 1 1 A 62 62 LYS C C 62 176.000 175.976 0.024 1
2 495 . 20 1 1 A 62 62 LYS CA C 62 55.900 56.825 -0.925 1
2 496 . 20 1 1 A 62 62 LYS CB C 62 33.200 33.379 -0.179 1
2 497 . 20 1 1 A 62 62 LYS N N 62 124.400 122.547 1.853 1
2 498 . 20 1 1 A 63 63 ASN H H 63 8.650 8.748 -0.098 1
2 499 . 20 1 1 A 63 63 ASN HA H 63 4.740 5.075 -0.335 1
2 504 . 20 1 1 A 63 63 ASN C C 63 175.300 174.090 1.210 1
2 505 . 20 1 1 A 63 63 ASN CA C 63 53.300 51.785 1.515 1
2 506 . 20 1 1 A 63 63 ASN CB C 63 39.000 39.288 -0.288 1
2 507 . 20 1 1 A 63 63 ASN N N 63 121.200 121.537 -0.337 1
2 509 . 20 1 1 A 64 64 SER H H 64 8.370 7.498 0.872 1
2 510 . 20 1 1 A 64 64 SER HA H 64 4.420 4.397 0.023 1
2 513 . 20 1 1 A 64 64 SER C C 64 174.300 176.021 -1.721 1
2 514 . 20 1 1 A 64 64 SER CA C 64 58.400 58.433 -0.033 1
2 515 . 20 1 1 A 64 64 SER CB C 64 63.900 64.052 -0.152 1
2 516 . 20 1 1 A 64 64 SER N N 64 116.900 117.524 -0.624 1
2 517 . 20 1 1 A 65 65 ALA H H 65 8.370 8.783 -0.413 1
2 518 . 20 1 1 A 65 65 ALA HA H 65 4.330 4.432 -0.102 1
2 522 . 20 1 1 A 65 65 ALA C C 65 177.800 176.266 1.534 1
2 523 . 20 1 1 A 65 65 ALA CA C 65 52.700 51.845 0.855 1
2 524 . 20 1 1 A 65 65 ALA CB C 65 19.300 18.317 0.983 1
2 525 . 20 1 1 A 65 65 ALA N N 65 126.000 129.951 -3.951 1
2 526 . 20 1 1 A 66 66 ARG H H 66 8.230 7.429 0.801 1
2 527 . 20 1 1 A 66 66 ARG HA H 66 4.300 4.812 -0.512 1
2 531 . 20 1 1 A 66 66 ARG C C 66 176.100 175.990 0.110 1
2 532 . 20 1 1 A 66 66 ARG CA C 66 56.000 54.126 1.874 1
2 533 . 20 1 1 A 66 66 ARG CB C 66 30.800 33.298 -2.498 1
2 534 . 20 1 1 A 66 66 ARG N N 66 120.400 117.167 3.233 1
2 536 . 20 1 1 A 67 67 ALA H H 67 8.290 8.661 -0.371 1
2 537 . 20 1 1 A 67 67 ALA HA H 67 4.290 4.181 0.109 1
2 541 . 20 1 1 A 67 67 ALA C C 67 177.600 177.273 0.327 1
2 542 . 20 1 1 A 67 67 ALA CA C 67 52.500 53.720 -1.220 1
2 543 . 20 1 1 A 67 67 ALA CB C 67 19.200 19.057 0.143 1
2 544 . 20 1 1 A 67 67 ALA N N 67 125.700 124.885 0.815 1
2 545 . 20 1 1 A 68 68 ALA H H 68 8.270 7.779 0.491 1
2 546 . 20 1 1 A 68 68 ALA HA H 68 4.290 4.436 -0.146 1
2 550 . 20 1 1 A 68 68 ALA C C 68 178.600 177.216 1.384 1
2 551 . 20 1 1 A 68 68 ALA CA C 68 52.400 51.309 1.091 1
2 552 . 20 1 1 A 68 68 ALA CB C 68 19.200 18.689 0.511 1
2 553 . 20 1 1 A 68 68 ALA N N 68 123.100 119.164 3.936 1
2 554 . 20 1 1 A 69 69 ALA H H 69 8.260 7.293 0.967 1
2 555 . 20 1 1 A 69 69 ALA HA H 69 4.300 4.244 0.056 1
2 559 . 20 1 1 A 69 69 ALA C C 69 177.600 177.889 -0.289 1
2 560 . 20 1 1 A 69 69 ALA CA C 69 52.500 53.042 -0.542 1
2 561 . 20 1 1 A 69 69 ALA CB C 69 19.200 19.087 0.113 1
2 562 . 20 1 1 A 69 69 ALA N N 69 123.500 120.841 2.659 1
2 563 . 20 1 1 A 70 70 ASN H H 70 8.390 8.465 -0.075 1
2 564 . 20 1 1 A 70 70 ASN HA H 70 4.750 4.630 0.120 1
2 567 . 20 1 1 A 70 70 ASN C C 70 175.200 175.074 0.126 1
2 568 . 20 1 1 A 70 70 ASN CA C 70 53.300 54.416 -1.116 1
2 569 . 20 1 1 A 70 70 ASN CB C 70 39.000 38.562 0.438 1
2 570 . 20 1 1 A 70 70 ASN N N 70 117.500 120.623 -3.123 1
2 571 . 20 1 1 A 71 71 SER H H 71 8.240 8.619 -0.379 1
2 572 . 20 1 1 A 71 71 SER HA H 71 4.520 5.134 -0.614 1
2 575 . 20 1 1 A 71 71 SER C C 71 173.700 173.039 0.661 1
2 576 . 20 1 1 A 71 71 SER CA C 71 58.400 56.505 1.895 1
2 577 . 20 1 1 A 71 71 SER CB C 71 64.200 63.509 0.691 1
2 578 . 20 1 1 A 71 71 SER N N 71 116.200 117.026 -0.826 1
3 4 . 1 1 1 A 2 2 SER HA H 2 4.610 4.980 -0.370 1
3 7 . 1 1 1 A 2 2 SER CA C 2 58.200 57.619 0.581 1
3 8 . 1 1 1 A 2 2 SER CB C 2 63.900 63.802 0.098 1
3 9 . 1 1 1 A 3 3 THR HA H 3 4.380 4.523 -0.143 1
3 14 . 1 1 1 A 3 3 THR CA C 3 61.900 63.168 -1.268 1
3 15 . 1 1 1 A 3 3 THR CB C 3 69.700 68.392 1.308 1
3 17 . 1 1 1 A 4 4 MET HA H 4 4.460 4.466 -0.006 1
3 25 . 1 1 1 A 4 4 MET CA C 4 55.400 57.370 -1.970 1
3 26 . 1 1 1 A 4 4 MET CB C 4 32.900 31.766 1.134 1
3 29 . 1 1 1 A 5 5 ALA HA H 5 4.300 4.406 -0.106 1
3 33 . 1 1 1 A 5 5 ALA CA C 5 52.600 51.680 0.920 1
3 34 . 1 1 1 A 5 5 ALA CB C 5 19.300 17.580 1.720 1
3 35 . 1 1 1 A 6 6 GLU HA H 6 4.300 4.604 -0.304 1
3 40 . 1 1 1 A 6 6 GLU CA C 6 56.100 56.558 -0.458 1
3 41 . 1 1 1 A 6 6 GLU CB C 6 30.700 30.515 0.185 1
3 43 . 1 1 1 A 7 7 GLU HA H 7 4.440 4.717 -0.277 1
3 48 . 1 1 1 A 7 7 GLU CA C 7 56.400 55.972 0.428 1
3 49 . 1 1 1 A 7 7 GLU CB C 7 30.700 30.466 0.234 1
3 51 . 1 1 1 A 8 8 VAL HA H 8 4.210 4.767 -0.557 1
3 59 . 1 1 1 A 8 8 VAL CA C 8 62.200 61.163 1.037 1
3 60 . 1 1 1 A 8 8 VAL CB C 8 33.300 35.202 -1.902 1
3 63 . 1 1 1 A 9 9 VAL HA H 9 4.430 5.031 -0.601 1
3 71 . 1 1 1 A 9 9 VAL CA C 9 61.600 59.594 2.006 1
3 72 . 1 1 1 A 9 9 VAL CB C 9 32.900 35.584 -2.684 1
3 75 . 1 1 1 A 10 10 VAL HA H 10 4.990 5.233 -0.243 1
3 83 . 1 1 1 A 10 10 VAL CA C 10 58.200 59.191 -0.991 1
3 84 . 1 1 1 A 10 10 VAL CB C 10 35.100 35.420 -0.320 1
3 87 . 1 1 1 A 11 11 VAL HA H 11 5.010 4.856 0.154 1
3 95 . 1 1 1 A 11 11 VAL CA C 11 59.500 59.734 -0.234 1
3 96 . 1 1 1 A 11 11 VAL CB C 11 35.100 34.138 0.962 1
3 99 . 1 1 1 A 12 12 ALA HA H 12 4.570 5.060 -0.490 1
3 103 . 1 1 1 A 12 12 ALA CA C 12 52.700 51.187 1.513 1
3 104 . 1 1 1 A 12 12 ALA CB C 12 19.900 20.049 -0.149 1
3 105 . 1 1 1 A 13 13 LYS HA H 13 3.850 4.306 -0.456 1
3 114 . 1 1 1 A 13 13 LYS CA C 13 57.200 56.867 0.333 1
3 115 . 1 1 1 A 13 13 LYS CB C 13 33.800 33.686 0.114 1
3 119 . 1 1 1 A 14 14 PHE HA H 14 4.820 5.073 -0.253 1
3 122 . 1 1 1 A 14 14 PHE CA C 14 53.600 56.713 -3.113 1
3 123 . 1 1 1 A 14 14 PHE CB C 14 43.600 43.145 0.455 1
3 124 . 1 1 1 A 15 15 ASP HA H 15 4.810 5.737 -0.927 1
3 127 . 1 1 1 A 15 15 ASP CA C 15 54.500 52.566 1.934 1
3 128 . 1 1 1 A 15 15 ASP CB C 15 41.700 43.648 -1.948 1
3 129 . 1 1 1 A 16 16 TYR HA H 16 4.770 4.949 -0.179 1
3 132 . 1 1 1 A 16 16 TYR CA C 16 59.300 57.308 1.992 1
3 133 . 1 1 1 A 16 16 TYR CB C 16 41.600 41.781 -0.181 1
3 134 . 1 1 1 A 17 17 VAL HA H 17 4.160 4.230 -0.070 1
3 142 . 1 1 1 A 17 17 VAL CA C 17 60.500 60.801 -0.301 1
3 143 . 1 1 1 A 17 17 VAL CB C 17 32.200 32.450 -0.250 1
3 146 . 1 1 1 A 18 18 ALA HA H 18 4.240 4.407 -0.167 1
3 150 . 1 1 1 A 18 18 ALA CA C 18 53.200 52.266 0.934 1
3 151 . 1 1 1 A 18 18 ALA CB C 18 19.900 19.135 0.765 1
3 152 . 1 1 1 A 19 19 GLN HA H 19 4.310 3.911 0.399 1
3 157 . 1 1 1 A 19 19 GLN CA C 19 55.100 60.047 -4.947 1
3 158 . 1 1 1 A 19 19 GLN CB C 19 31.100 28.943 2.157 1
3 160 . 1 1 1 A 20 20 GLN HA H 20 4.590 4.409 0.181 1
3 165 . 1 1 1 A 20 20 GLN CA C 20 53.900 55.301 -1.401 1
3 166 . 1 1 1 A 20 20 GLN CB C 20 32.400 29.528 2.872 1
3 168 . 1 1 1 A 21 21 GLU HA H 21 4.100 4.075 0.025 1
3 173 . 1 1 1 A 21 21 GLU CA C 21 59.500 58.706 0.794 1
3 174 . 1 1 1 A 21 21 GLU CB C 21 29.700 29.145 0.555 1
3 176 . 1 1 1 A 22 22 GLN HA H 22 4.550 4.125 0.425 1
3 181 . 1 1 1 A 22 22 GLN CA C 22 56.600 58.587 -1.987 1
3 182 . 1 1 1 A 22 22 GLN CB C 22 28.000 28.560 -0.560 1
3 184 . 1 1 1 A 23 23 GLU HA H 23 5.340 4.611 0.729 1
3 189 . 1 1 1 A 23 23 GLU CA C 23 55.500 56.823 -1.323 1
3 190 . 1 1 1 A 23 23 GLU CB C 23 32.400 30.761 1.639 1
3 192 . 1 1 1 A 24 24 LEU HA H 24 4.690 5.224 -0.534 1
3 202 . 1 1 1 A 24 24 LEU CA C 24 53.100 53.909 -0.809 1
3 203 . 1 1 1 A 24 24 LEU CB C 24 46.500 44.946 1.554 1
3 207 . 1 1 1 A 25 25 ASP HA H 25 5.170 4.820 0.350 1
3 210 . 1 1 1 A 25 25 ASP CA C 25 54.100 54.165 -0.065 1
3 211 . 1 1 1 A 25 25 ASP CB C 25 42.300 41.174 1.126 1
3 212 . 1 1 1 A 26 26 ILE HA H 26 5.130 5.268 -0.138 1
3 222 . 1 1 1 A 26 26 ILE CA C 26 59.600 58.888 0.712 1
3 223 . 1 1 1 A 26 26 ILE CB C 26 42.400 42.033 0.367 1
3 227 . 1 1 1 A 27 27 LYS HA H 27 5.100 4.789 0.311 1
3 236 . 1 1 1 A 27 27 LYS CA C 27 52.800 55.095 -2.295 1
3 237 . 1 1 1 A 27 27 LYS CB C 27 35.400 36.537 -1.137 1
3 241 . 1 1 1 A 28 28 LYS HA H 28 3.120 3.886 -0.766 1
3 250 . 1 1 1 A 28 28 LYS CA C 28 59.100 58.244 0.856 1
3 251 . 1 1 1 A 28 28 LYS CB C 28 32.500 32.047 0.453 1
3 255 . 1 1 1 A 29 29 ASN HA H 29 4.180 4.201 -0.021 1
3 258 . 1 1 1 A 29 29 ASN CA C 29 55.800 54.627 1.173 1
3 259 . 1 1 1 A 29 29 ASN CB C 29 37.300 37.256 0.044 1
3 260 . 1 1 1 A 30 30 GLU HA H 30 4.170 4.754 -0.584 1
3 265 . 1 1 1 A 30 30 GLU CA C 30 57.600 55.244 2.356 1
3 266 . 1 1 1 A 30 30 GLU CB C 30 31.700 32.125 -0.425 1
3 268 . 1 1 1 A 31 31 ARG HA H 31 4.580 4.500 0.080 1
3 275 . 1 1 1 A 31 31 ARG CA C 31 56.200 55.851 0.349 1
3 276 . 1 1 1 A 31 31 ARG CB C 31 30.800 30.625 0.175 1
3 279 . 1 1 1 A 32 32 LEU HA H 32 4.860 4.807 0.053 1
3 289 . 1 1 1 A 32 32 LEU CA C 32 53.200 53.350 -0.150 1
3 290 . 1 1 1 A 32 32 LEU CB C 32 46.300 43.947 2.353 1
3 294 . 1 1 1 A 33 33 TRP HA H 33 5.100 5.060 0.040 1
3 297 . 1 1 1 A 33 33 TRP CA C 33 58.300 56.816 1.484 1
3 298 . 1 1 1 A 33 33 TRP CB C 33 31.000 30.274 0.726 1
3 299 . 1 1 1 A 34 34 LEU HA H 34 4.340 4.395 -0.055 1
3 309 . 1 1 1 A 34 34 LEU CA C 34 55.500 55.801 -0.301 1
3 310 . 1 1 1 A 34 34 LEU CB C 34 43.700 42.358 1.342 1
3 314 . 1 1 1 A 35 35 LEU HA H 35 4.620 4.338 0.282 1
3 324 . 1 1 1 A 35 35 LEU CA C 35 55.400 56.279 -0.879 1
3 325 . 1 1 1 A 35 35 LEU CB C 35 42.700 42.374 0.326 1
3 329 . 1 1 1 A 36 36 ASP HA H 36 4.760 5.003 -0.243 1
3 332 . 1 1 1 A 36 36 ASP CA C 36 55.300 52.823 2.477 1
3 333 . 1 1 1 A 36 36 ASP CB C 36 43.400 42.730 0.670 1
3 334 . 1 1 1 A 37 37 ASP HA H 37 3.940 4.794 -0.854 1
3 337 . 1 1 1 A 37 37 ASP CA C 37 51.900 52.647 -0.747 1
3 338 . 1 1 1 A 37 37 ASP CB C 37 40.000 39.648 0.352 1
3 339 . 1 1 1 A 38 38 SER HA H 38 4.210 4.678 -0.468 1
3 342 . 1 1 1 A 38 38 SER CA C 38 61.400 59.422 1.978 1
3 343 . 1 1 1 A 38 38 SER CB C 38 63.900 65.068 -1.168 1
3 344 . 1 1 1 A 39 39 LYS HA H 39 4.910 4.429 0.481 1
3 353 . 1 1 1 A 39 39 LYS CA C 39 55.000 55.956 -0.956 1
3 354 . 1 1 1 A 39 39 LYS CB C 39 34.200 33.351 0.849 1
3 358 . 1 1 1 A 40 40 SER HA H 40 4.310 4.176 0.134 1
3 361 . 1 1 1 A 40 40 SER CA C 40 60.700 62.562 -1.862 1
3 362 . 1 1 1 A 40 40 SER CB C 40 63.100 63.052 0.048 1
3 363 . 1 1 1 A 41 41 TRP HA H 41 4.860 5.085 -0.225 1
3 366 . 1 1 1 A 41 41 TRP CA C 41 56.600 56.663 -0.063 1
3 367 . 1 1 1 A 41 41 TRP CB C 41 29.500 29.974 -0.474 1
3 368 . 1 1 1 A 42 42 TRP HA H 42 5.450 5.223 0.227 1
3 371 . 1 1 1 A 42 42 TRP CA C 42 54.200 57.251 -3.051 1
3 372 . 1 1 1 A 42 42 TRP CB C 42 30.900 30.226 0.674 1
3 373 . 1 1 1 A 43 43 ARG HA H 43 4.550 4.784 -0.234 1
3 380 . 1 1 1 A 43 43 ARG CA C 43 55.400 56.101 -0.701 1
3 381 . 1 1 1 A 43 43 ARG CB C 43 32.200 30.124 2.076 1
3 384 . 1 1 1 A 44 44 VAL HA H 44 5.520 5.386 0.134 1
3 392 . 1 1 1 A 44 44 VAL CA C 44 58.800 58.797 0.003 1
3 393 . 1 1 1 A 44 44 VAL CB C 44 36.500 36.103 0.397 1
3 396 . 1 1 1 A 45 45 ARG HA H 45 5.530 5.413 0.117 1
3 403 . 1 1 1 A 45 45 ARG CA C 45 53.600 53.985 -0.385 1
3 404 . 1 1 1 A 45 45 ARG CB C 45 35.400 34.165 1.235 1
3 407 . 1 1 1 A 46 46 ASN HA H 46 5.490 5.291 0.199 1
3 410 . 1 1 1 A 46 46 ASN CA C 46 50.600 51.534 -0.934 1
3 411 . 1 1 1 A 46 46 ASN CB C 46 40.900 41.372 -0.472 1
3 412 . 1 1 1 A 47 47 SER HA H 47 4.320 4.503 -0.183 1
3 415 . 1 1 1 A 47 47 SER CA C 47 61.500 61.621 -0.121 1
3 416 . 1 1 1 A 47 47 SER CB C 47 63.000 62.896 0.104 1
3 417 . 1 1 1 A 48 48 MET HA H 48 4.730 4.597 0.133 1
3 425 . 1 1 1 A 48 48 MET CA C 48 54.400 55.800 -1.400 1
3 426 . 1 1 1 A 48 48 MET CB C 48 31.700 33.294 -1.594 1
3 429 . 1 1 1 A 49 49 ASN HA H 49 4.200 4.483 -0.283 1
3 432 . 1 1 1 A 49 49 ASN CA C 49 54.800 54.373 0.427 1
3 433 . 1 1 1 A 49 49 ASN CB C 49 37.000 36.552 0.448 1
3 434 . 1 1 1 A 50 50 LYS HA H 50 4.560 4.347 0.213 1
3 443 . 1 1 1 A 50 50 LYS CA C 50 55.600 56.669 -1.069 1
3 444 . 1 1 1 A 50 50 LYS CB C 50 33.300 33.605 -0.305 1
3 448 . 1 1 1 A 51 51 THR HA H 51 5.740 5.328 0.412 1
3 453 . 1 1 1 A 51 51 THR CA C 51 59.200 60.273 -1.073 1
3 454 . 1 1 1 A 51 51 THR CB C 51 71.700 72.728 -1.028 1
3 456 . 1 1 1 A 52 52 GLY HA2 H 52 4.090 4.177 -0.087 1
3 457 . 1 1 1 A 52 52 GLY HA3 H 52 3.920 4.251 -0.331 1
3 458 . 1 1 1 A 52 52 GLY CA C 52 45.600 45.598 0.002 1
3 459 . 1 1 1 A 53 53 PHE HA H 53 5.870 5.158 0.712 1
3 462 . 1 1 1 A 53 53 PHE CA C 53 57.900 58.242 -0.342 1
3 463 . 1 1 1 A 53 53 PHE CB C 53 42.800 40.678 2.122 1
3 464 . 1 1 1 A 54 54 VAL HA H 54 4.790 5.273 -0.483 1
3 472 . 1 1 1 A 54 54 VAL CA C 54 57.500 58.329 -0.829 1
3 473 . 1 1 1 A 54 54 VAL CB C 54 33.300 34.566 -1.266 1
3 476 . 1 1 1 A 55 55 PRO HA H 55 3.230 4.300 -1.070 1
3 483 . 1 1 1 A 55 55 PRO CA C 55 62.300 62.212 0.088 1
3 484 . 1 1 1 A 55 55 PRO CB C 55 30.400 32.802 -2.402 1
3 487 . 1 1 1 A 57 57 ASN HA H 57 4.480 4.500 -0.020 1
3 490 . 1 1 1 A 57 57 ASN CA C 57 53.700 54.048 -0.348 1
3 491 . 1 1 1 A 57 57 ASN CB C 57 36.600 39.600 -3.000 1
3 492 . 1 1 1 A 58 58 TYR HA H 58 4.460 4.857 -0.397 1
3 495 . 1 1 1 A 58 58 TYR CA C 58 59.000 57.459 1.541 1
3 496 . 1 1 1 A 58 58 TYR CB C 58 38.100 38.470 -0.370 1
3 497 . 1 1 1 A 59 59 VAL HA H 59 5.090 5.196 -0.106 1
3 505 . 1 1 1 A 59 59 VAL CA C 59 58.600 59.324 -0.724 1
3 506 . 1 1 1 A 59 59 VAL CB C 59 35.500 36.360 -0.860 1
3 509 . 1 1 1 A 60 60 GLU HA H 60 4.790 4.703 0.087 1
3 514 . 1 1 1 A 60 60 GLU CA C 60 54.300 55.816 -1.516 1
3 515 . 1 1 1 A 60 60 GLU CB C 60 33.300 33.489 -0.189 1
3 517 . 1 1 1 A 61 61 ARG HA H 61 4.540 4.345 0.195 1
3 524 . 1 1 1 A 61 61 ARG CA C 61 56.500 56.328 0.172 1
3 525 . 1 1 1 A 61 61 ARG CB C 61 31.200 30.612 0.588 1
3 528 . 1 1 1 A 62 62 LYS HA H 62 4.380 4.649 -0.269 1
3 537 . 1 1 1 A 62 62 LYS CA C 62 55.900 54.740 1.160 1
3 538 . 1 1 1 A 62 62 LYS CB C 62 33.200 34.624 -1.424 1
3 542 . 1 1 1 A 63 63 ASN HA H 63 4.740 4.344 0.396 1
3 545 . 1 1 1 A 63 63 ASN CA C 63 53.200 54.562 -1.362 1
3 546 . 1 1 1 A 63 63 ASN CB C 63 39.000 37.924 1.076 1
3 547 . 1 1 1 A 64 64 SER HA H 64 4.430 4.511 -0.081 1
3 550 . 1 1 1 A 64 64 SER CA C 64 58.400 58.137 0.263 1
3 551 . 1 1 1 A 64 64 SER CB C 64 63.900 64.728 -0.828 1
3 552 . 1 1 1 A 65 65 ALA HA H 65 4.330 4.551 -0.221 1
3 556 . 1 1 1 A 65 65 ALA CA C 65 52.700 50.195 2.505 1
3 557 . 1 1 1 A 65 65 ALA CB C 65 19.300 21.185 -1.885 1
3 558 . 1 1 1 A 66 66 ARG HA H 66 4.300 4.276 0.024 1
3 565 . 1 1 1 A 66 66 ARG CA C 66 56.000 57.395 -1.395 1
3 566 . 1 1 1 A 66 66 ARG CB C 66 30.900 30.660 0.240 1
3 569 . 1 1 1 A 67 67 ALA HA H 67 4.300 4.033 0.267 1
3 573 . 1 1 1 A 67 67 ALA CA C 67 52.400 55.345 -2.945 1
3 574 . 1 1 1 A 67 67 ALA CB C 67 19.200 18.109 1.091 1
3 575 . 1 1 1 A 69 69 ALA HA H 69 4.300 4.354 -0.054 1
3 579 . 1 1 1 A 69 69 ALA CA C 69 52.400 51.589 0.811 1
3 580 . 1 1 1 A 70 70 ASN HA H 70 4.750 5.398 -0.648 1
3 583 . 1 1 1 A 70 70 ASN CA C 70 53.300 51.531 1.769 1
3 584 . 1 1 1 A 70 70 ASN CB C 70 39.000 39.302 -0.302 1
3 585 . 1 1 1 A 71 71 SER HA H 71 4.520 4.068 0.452 1
3 588 . 1 1 1 A 71 71 SER CA C 71 58.300 59.138 -0.838 1
3 589 . 1 1 1 A 71 71 SER CB C 71 64.000 61.678 2.322 1
3 4 . 2 1 1 A 2 2 SER HA H 2 4.610 4.690 -0.080 1
3 7 . 2 1 1 A 2 2 SER CA C 2 58.200 59.536 -1.336 1
3 8 . 2 1 1 A 2 2 SER CB C 2 63.900 63.630 0.270 1
3 9 . 2 1 1 A 3 3 THR HA H 3 4.380 4.670 -0.290 1
3 14 . 2 1 1 A 3 3 THR CA C 3 61.900 60.655 1.245 1
3 15 . 2 1 1 A 3 3 THR CB C 3 69.700 70.887 -1.187 1
3 17 . 2 1 1 A 4 4 MET HA H 4 4.460 4.797 -0.337 1
3 25 . 2 1 1 A 4 4 MET CA C 4 55.400 54.048 1.352 1
3 26 . 2 1 1 A 4 4 MET CB C 4 32.900 32.377 0.523 1
3 29 . 2 1 1 A 5 5 ALA HA H 5 4.300 4.244 0.056 1
3 33 . 2 1 1 A 5 5 ALA CA C 5 52.600 52.168 0.432 1
3 34 . 2 1 1 A 5 5 ALA CB C 5 19.300 19.975 -0.675 1
3 35 . 2 1 1 A 6 6 GLU HA H 6 4.300 3.965 0.335 1
3 40 . 2 1 1 A 6 6 GLU CA C 6 56.100 57.175 -1.075 1
3 41 . 2 1 1 A 6 6 GLU CB C 6 30.700 28.296 2.404 1
3 43 . 2 1 1 A 7 7 GLU HA H 7 4.440 4.946 -0.506 1
3 48 . 2 1 1 A 7 7 GLU CA C 7 56.400 54.984 1.416 1
3 49 . 2 1 1 A 7 7 GLU CB C 7 30.700 30.416 0.284 1
3 51 . 2 1 1 A 8 8 VAL HA H 8 4.210 4.820 -0.610 1
3 59 . 2 1 1 A 8 8 VAL CA C 8 62.200 61.313 0.887 1
3 60 . 2 1 1 A 8 8 VAL CB C 8 33.300 34.078 -0.778 1
3 63 . 2 1 1 A 9 9 VAL HA H 9 4.430 5.050 -0.620 1
3 71 . 2 1 1 A 9 9 VAL CA C 9 61.600 59.283 2.317 1
3 72 . 2 1 1 A 9 9 VAL CB C 9 32.900 34.673 -1.773 1
3 75 . 2 1 1 A 10 10 VAL HA H 10 4.990 5.292 -0.302 1
3 83 . 2 1 1 A 10 10 VAL CA C 10 58.200 59.403 -1.203 1
3 84 . 2 1 1 A 10 10 VAL CB C 10 35.100 35.642 -0.542 1
3 87 . 2 1 1 A 11 11 VAL HA H 11 5.010 4.835 0.175 1
3 95 . 2 1 1 A 11 11 VAL CA C 11 59.500 59.757 -0.257 1
3 96 . 2 1 1 A 11 11 VAL CB C 11 35.100 34.092 1.008 1
3 99 . 2 1 1 A 12 12 ALA HA H 12 4.570 4.597 -0.027 1
3 103 . 2 1 1 A 12 12 ALA CA C 12 52.700 52.373 0.327 1
3 104 . 2 1 1 A 12 12 ALA CB C 12 19.900 19.134 0.766 1
3 105 . 2 1 1 A 13 13 LYS HA H 13 3.850 4.256 -0.406 1
3 114 . 2 1 1 A 13 13 LYS CA C 13 57.200 56.673 0.527 1
3 115 . 2 1 1 A 13 13 LYS CB C 13 33.800 33.746 0.054 1
3 119 . 2 1 1 A 14 14 PHE HA H 14 4.820 5.064 -0.244 1
3 122 . 2 1 1 A 14 14 PHE CA C 14 53.600 56.723 -3.123 1
3 123 . 2 1 1 A 14 14 PHE CB C 14 43.600 43.003 0.597 1
3 124 . 2 1 1 A 15 15 ASP HA H 15 4.810 5.684 -0.874 1
3 127 . 2 1 1 A 15 15 ASP CA C 15 54.500 53.131 1.369 1
3 128 . 2 1 1 A 15 15 ASP CB C 15 41.700 43.147 -1.447 1
3 129 . 2 1 1 A 16 16 TYR HA H 16 4.770 5.298 -0.528 1
3 132 . 2 1 1 A 16 16 TYR CA C 16 59.300 57.058 2.242 1
3 133 . 2 1 1 A 16 16 TYR CB C 16 41.600 42.316 -0.716 1
3 134 . 2 1 1 A 17 17 VAL HA H 17 4.160 4.213 -0.053 1
3 142 . 2 1 1 A 17 17 VAL CA C 17 60.500 60.834 -0.334 1
3 143 . 2 1 1 A 17 17 VAL CB C 17 32.200 32.809 -0.609 1
3 146 . 2 1 1 A 18 18 ALA HA H 18 4.240 4.706 -0.466 1
3 150 . 2 1 1 A 18 18 ALA CA C 18 53.200 51.895 1.305 1
3 151 . 2 1 1 A 18 18 ALA CB C 18 19.900 18.630 1.270 1
3 152 . 2 1 1 A 19 19 GLN HA H 19 4.310 3.923 0.387 1
3 157 . 2 1 1 A 19 19 GLN CA C 19 55.100 59.941 -4.841 1
3 158 . 2 1 1 A 19 19 GLN CB C 19 31.100 28.911 2.189 1
3 160 . 2 1 1 A 20 20 GLN HA H 20 4.590 4.292 0.298 1
3 165 . 2 1 1 A 20 20 GLN CA C 20 53.900 55.621 -1.721 1
3 166 . 2 1 1 A 20 20 GLN CB C 20 32.400 29.647 2.753 1
3 168 . 2 1 1 A 21 21 GLU HA H 21 4.100 4.087 0.013 1
3 173 . 2 1 1 A 21 21 GLU CA C 21 59.500 58.811 0.689 1
3 174 . 2 1 1 A 21 21 GLU CB C 21 29.700 29.104 0.596 1
3 176 . 2 1 1 A 22 22 GLN HA H 22 4.550 4.089 0.461 1
3 181 . 2 1 1 A 22 22 GLN CA C 22 56.600 58.937 -2.337 1
3 182 . 2 1 1 A 22 22 GLN CB C 22 28.000 28.643 -0.643 1
3 184 . 2 1 1 A 23 23 GLU HA H 23 5.340 4.580 0.760 1
3 189 . 2 1 1 A 23 23 GLU CA C 23 55.500 56.856 -1.356 1
3 190 . 2 1 1 A 23 23 GLU CB C 23 32.400 30.787 1.613 1
3 192 . 2 1 1 A 24 24 LEU HA H 24 4.690 5.274 -0.584 1
3 202 . 2 1 1 A 24 24 LEU CA C 24 53.100 53.502 -0.402 1
3 203 . 2 1 1 A 24 24 LEU CB C 24 46.500 44.890 1.610 1
3 207 . 2 1 1 A 25 25 ASP HA H 25 5.170 4.909 0.261 1
3 210 . 2 1 1 A 25 25 ASP CA C 25 54.100 54.134 -0.034 1
3 211 . 2 1 1 A 25 25 ASP CB C 25 42.300 41.180 1.120 1
3 212 . 2 1 1 A 26 26 ILE HA H 26 5.130 5.257 -0.127 1
3 222 . 2 1 1 A 26 26 ILE CA C 26 59.600 58.937 0.663 1
3 223 . 2 1 1 A 26 26 ILE CB C 26 42.400 42.076 0.324 1
3 227 . 2 1 1 A 27 27 LYS HA H 27 5.100 4.807 0.293 1
3 236 . 2 1 1 A 27 27 LYS CA C 27 52.800 55.174 -2.374 1
3 237 . 2 1 1 A 27 27 LYS CB C 27 35.400 36.563 -1.163 1
3 241 . 2 1 1 A 28 28 LYS HA H 28 3.120 3.920 -0.800 1
3 250 . 2 1 1 A 28 28 LYS CA C 28 59.100 58.278 0.822 1
3 251 . 2 1 1 A 28 28 LYS CB C 28 32.500 32.136 0.364 1
3 255 . 2 1 1 A 29 29 ASN HA H 29 4.180 4.222 -0.042 1
3 258 . 2 1 1 A 29 29 ASN CA C 29 55.800 54.429 1.371 1
3 259 . 2 1 1 A 29 29 ASN CB C 29 37.300 37.116 0.184 1
3 260 . 2 1 1 A 30 30 GLU HA H 30 4.170 4.802 -0.632 1
3 265 . 2 1 1 A 30 30 GLU CA C 30 57.600 54.932 2.668 1
3 266 . 2 1 1 A 30 30 GLU CB C 30 31.700 32.212 -0.512 1
3 268 . 2 1 1 A 31 31 ARG HA H 31 4.580 4.286 0.294 1
3 275 . 2 1 1 A 31 31 ARG CA C 31 56.200 56.651 -0.451 1
3 276 . 2 1 1 A 31 31 ARG CB C 31 30.800 30.919 -0.119 1
3 279 . 2 1 1 A 32 32 LEU HA H 32 4.860 4.535 0.325 1
3 289 . 2 1 1 A 32 32 LEU CA C 32 53.200 53.391 -0.191 1
3 290 . 2 1 1 A 32 32 LEU CB C 32 46.300 46.334 -0.034 1
3 294 . 2 1 1 A 33 33 TRP HA H 33 5.100 5.324 -0.224 1
3 297 . 2 1 1 A 33 33 TRP CA C 33 58.300 56.279 2.021 1
3 298 . 2 1 1 A 33 33 TRP CB C 33 31.000 30.755 0.245 1
3 299 . 2 1 1 A 34 34 LEU HA H 34 4.340 4.415 -0.075 1
3 309 . 2 1 1 A 34 34 LEU CA C 34 55.500 55.866 -0.366 1
3 310 . 2 1 1 A 34 34 LEU CB C 34 43.700 42.590 1.110 1
3 314 . 2 1 1 A 35 35 LEU HA H 35 4.620 4.454 0.166 1
3 324 . 2 1 1 A 35 35 LEU CA C 35 55.400 55.849 -0.449 1
3 325 . 2 1 1 A 35 35 LEU CB C 35 42.700 43.308 -0.608 1
3 329 . 2 1 1 A 36 36 ASP HA H 36 4.760 4.883 -0.123 1
3 332 . 2 1 1 A 36 36 ASP CA C 36 55.300 53.819 1.481 1
3 333 . 2 1 1 A 36 36 ASP CB C 36 43.400 42.734 0.666 1
3 334 . 2 1 1 A 37 37 ASP HA H 37 3.940 4.114 -0.174 1
3 337 . 2 1 1 A 37 37 ASP CA C 37 51.900 52.110 -0.210 1
3 338 . 2 1 1 A 37 37 ASP CB C 37 40.000 39.239 0.761 1
3 339 . 2 1 1 A 38 38 SER HA H 38 4.210 4.630 -0.420 1
3 342 . 2 1 1 A 38 38 SER CA C 38 61.400 59.650 1.750 1
3 343 . 2 1 1 A 38 38 SER CB C 38 63.900 64.533 -0.633 1
3 344 . 2 1 1 A 39 39 LYS HA H 39 4.910 4.469 0.441 1
3 353 . 2 1 1 A 39 39 LYS CA C 39 55.000 56.143 -1.143 1
3 354 . 2 1 1 A 39 39 LYS CB C 39 34.200 33.259 0.941 1
3 358 . 2 1 1 A 40 40 SER HA H 40 4.310 4.208 0.102 1
3 361 . 2 1 1 A 40 40 SER CA C 40 60.700 61.949 -1.249 1
3 362 . 2 1 1 A 40 40 SER CB C 40 63.100 63.248 -0.148 1
3 363 . 2 1 1 A 41 41 TRP HA H 41 4.860 5.015 -0.155 1
3 366 . 2 1 1 A 41 41 TRP CA C 41 56.600 56.191 0.409 1
3 367 . 2 1 1 A 41 41 TRP CB C 41 29.500 30.049 -0.549 1
3 368 . 2 1 1 A 42 42 TRP HA H 42 5.450 5.240 0.210 1
3 371 . 2 1 1 A 42 42 TRP CA C 42 54.200 57.571 -3.371 1
3 372 . 2 1 1 A 42 42 TRP CB C 42 30.900 29.335 1.565 1
3 373 . 2 1 1 A 43 43 ARG HA H 43 4.550 4.550 0.000 1
3 380 . 2 1 1 A 43 43 ARG CA C 43 55.400 55.931 -0.531 1
3 381 . 2 1 1 A 43 43 ARG CB C 43 32.200 30.352 1.848 1
3 384 . 2 1 1 A 44 44 VAL HA H 44 5.520 5.193 0.327 1
3 392 . 2 1 1 A 44 44 VAL CA C 44 58.800 58.693 0.107 1
3 393 . 2 1 1 A 44 44 VAL CB C 44 36.500 35.996 0.504 1
3 396 . 2 1 1 A 45 45 ARG HA H 45 5.530 5.332 0.198 1
3 403 . 2 1 1 A 45 45 ARG CA C 45 53.600 53.839 -0.239 1
3 404 . 2 1 1 A 45 45 ARG CB C 45 35.400 33.824 1.576 1
3 407 . 2 1 1 A 46 46 ASN HA H 46 5.490 5.416 0.074 1
3 410 . 2 1 1 A 46 46 ASN CA C 46 50.600 51.709 -1.109 1
3 411 . 2 1 1 A 46 46 ASN CB C 46 40.900 41.486 -0.586 1
3 412 . 2 1 1 A 47 47 SER HA H 47 4.320 4.364 -0.044 1
3 415 . 2 1 1 A 47 47 SER CA C 47 61.500 61.640 -0.140 1
3 416 . 2 1 1 A 47 47 SER CB C 47 63.000 62.858 0.142 1
3 417 . 2 1 1 A 48 48 MET HA H 48 4.730 4.586 0.144 1
3 425 . 2 1 1 A 48 48 MET CA C 48 54.400 55.771 -1.371 1
3 426 . 2 1 1 A 48 48 MET CB C 48 31.700 33.268 -1.568 1
3 429 . 2 1 1 A 49 49 ASN HA H 49 4.200 4.461 -0.261 1
3 432 . 2 1 1 A 49 49 ASN CA C 49 54.800 54.343 0.457 1
3 433 . 2 1 1 A 49 49 ASN CB C 49 37.000 36.531 0.469 1
3 434 . 2 1 1 A 50 50 LYS HA H 50 4.560 4.360 0.200 1
3 443 . 2 1 1 A 50 50 LYS CA C 50 55.600 56.312 -0.712 1
3 444 . 2 1 1 A 50 50 LYS CB C 50 33.300 34.130 -0.830 1
3 448 . 2 1 1 A 51 51 THR HA H 51 5.740 5.137 0.603 1
3 453 . 2 1 1 A 51 51 THR CA C 51 59.200 60.366 -1.166 1
3 454 . 2 1 1 A 51 51 THR CB C 51 71.700 72.345 -0.645 1
3 456 . 2 1 1 A 52 52 GLY HA2 H 52 4.090 4.216 -0.126 1
3 457 . 2 1 1 A 52 52 GLY HA3 H 52 3.920 4.278 -0.358 1
3 458 . 2 1 1 A 52 52 GLY CA C 52 45.600 45.319 0.281 1
3 459 . 2 1 1 A 53 53 PHE HA H 53 5.870 5.093 0.777 1
3 462 . 2 1 1 A 53 53 PHE CA C 53 57.900 58.198 -0.298 1
3 463 . 2 1 1 A 53 53 PHE CB C 53 42.800 40.712 2.088 1
3 464 . 2 1 1 A 54 54 VAL HA H 54 4.790 5.047 -0.257 1
3 472 . 2 1 1 A 54 54 VAL CA C 54 57.500 58.383 -0.883 1
3 473 . 2 1 1 A 54 54 VAL CB C 54 33.300 34.899 -1.599 1
3 476 . 2 1 1 A 55 55 PRO HA H 55 3.230 4.379 -1.149 1
3 483 . 2 1 1 A 55 55 PRO CA C 55 62.300 62.399 -0.099 1
3 484 . 2 1 1 A 55 55 PRO CB C 55 30.400 31.474 -1.074 1
3 487 . 2 1 1 A 57 57 ASN HA H 57 4.480 4.457 0.023 1
3 490 . 2 1 1 A 57 57 ASN CA C 57 53.700 55.517 -1.817 1
3 491 . 2 1 1 A 57 57 ASN CB C 57 36.600 38.601 -2.001 1
3 492 . 2 1 1 A 58 58 TYR HA H 58 4.460 4.665 -0.205 1
3 495 . 2 1 1 A 58 58 TYR CA C 58 59.000 58.891 0.109 1
3 496 . 2 1 1 A 58 58 TYR CB C 58 38.100 40.180 -2.080 1
3 497 . 2 1 1 A 59 59 VAL HA H 59 5.090 4.881 0.209 1
3 505 . 2 1 1 A 59 59 VAL CA C 59 58.600 59.659 -1.059 1
3 506 . 2 1 1 A 59 59 VAL CB C 59 35.500 35.124 0.376 1
3 509 . 2 1 1 A 60 60 GLU HA H 60 4.790 4.753 0.037 1
3 514 . 2 1 1 A 60 60 GLU CA C 60 54.300 55.858 -1.558 1
3 515 . 2 1 1 A 60 60 GLU CB C 60 33.300 33.330 -0.030 1
3 517 . 2 1 1 A 61 61 ARG HA H 61 4.540 4.496 0.044 1
3 524 . 2 1 1 A 61 61 ARG CA C 61 56.500 56.278 0.222 1
3 525 . 2 1 1 A 61 61 ARG CB C 61 31.200 30.580 0.620 1
3 528 . 2 1 1 A 62 62 LYS HA H 62 4.380 4.249 0.131 1
3 537 . 2 1 1 A 62 62 LYS CA C 62 55.900 57.268 -1.368 1
3 538 . 2 1 1 A 62 62 LYS CB C 62 33.200 33.540 -0.340 1
3 542 . 2 1 1 A 63 63 ASN HA H 63 4.740 5.203 -0.463 1
3 545 . 2 1 1 A 63 63 ASN CA C 63 53.200 52.431 0.769 1
3 546 . 2 1 1 A 63 63 ASN CB C 63 39.000 39.448 -0.448 1
3 547 . 2 1 1 A 64 64 SER HA H 64 4.430 4.380 0.050 1
3 550 . 2 1 1 A 64 64 SER CA C 64 58.400 59.491 -1.091 1
3 551 . 2 1 1 A 64 64 SER CB C 64 63.900 61.941 1.959 1
3 552 . 2 1 1 A 65 65 ALA HA H 65 4.330 4.693 -0.363 1
3 556 . 2 1 1 A 65 65 ALA CA C 65 52.700 50.672 2.028 1
3 557 . 2 1 1 A 65 65 ALA CB C 65 19.300 19.574 -0.274 1
3 558 . 2 1 1 A 66 66 ARG HA H 66 4.300 4.137 0.163 1
3 565 . 2 1 1 A 66 66 ARG CA C 66 56.000 57.185 -1.185 1
3 566 . 2 1 1 A 66 66 ARG CB C 66 30.900 29.220 1.680 1
3 569 . 2 1 1 A 67 67 ALA HA H 67 4.300 4.025 0.275 1
3 573 . 2 1 1 A 67 67 ALA CA C 67 52.400 55.437 -3.037 1
3 574 . 2 1 1 A 67 67 ALA CB C 67 19.200 18.336 0.864 1
3 575 . 2 1 1 A 69 69 ALA HA H 69 4.300 4.490 -0.190 1
3 579 . 2 1 1 A 69 69 ALA CA C 69 52.400 51.197 1.203 1
3 580 . 2 1 1 A 70 70 ASN HA H 70 4.750 5.085 -0.335 1
3 583 . 2 1 1 A 70 70 ASN CA C 70 53.300 52.997 0.303 1
3 584 . 2 1 1 A 70 70 ASN CB C 70 39.000 40.887 -1.887 1
3 585 . 2 1 1 A 71 71 SER HA H 71 4.520 4.332 0.188 1
3 588 . 2 1 1 A 71 71 SER CA C 71 58.300 58.808 -0.508 1
3 589 . 2 1 1 A 71 71 SER CB C 71 64.000 60.897 3.103 1
3 4 . 3 1 1 A 2 2 SER HA H 2 4.610 4.158 0.452 1
3 7 . 3 1 1 A 2 2 SER CA C 2 58.200 58.807 -0.607 1
3 8 . 3 1 1 A 2 2 SER CB C 2 63.900 61.663 2.237 1
3 9 . 3 1 1 A 3 3 THR HA H 3 4.380 4.143 0.237 1
3 14 . 3 1 1 A 3 3 THR CA C 3 61.900 64.339 -2.439 1
3 15 . 3 1 1 A 3 3 THR CB C 3 69.700 68.814 0.886 1
3 17 . 3 1 1 A 4 4 MET HA H 4 4.460 4.991 -0.531 1
3 25 . 3 1 1 A 4 4 MET CA C 4 55.400 53.599 1.801 1
3 26 . 3 1 1 A 4 4 MET CB C 4 32.900 36.472 -3.572 1
3 29 . 3 1 1 A 5 5 ALA HA H 5 4.300 4.257 0.043 1
3 33 . 3 1 1 A 5 5 ALA CA C 5 52.600 52.086 0.514 1
3 34 . 3 1 1 A 5 5 ALA CB C 5 19.300 19.687 -0.387 1
3 35 . 3 1 1 A 6 6 GLU HA H 6 4.300 4.744 -0.444 1
3 40 . 3 1 1 A 6 6 GLU CA C 6 56.100 55.424 0.676 1
3 41 . 3 1 1 A 6 6 GLU CB C 6 30.700 30.672 0.028 1
3 43 . 3 1 1 A 7 7 GLU HA H 7 4.440 4.730 -0.290 1
3 48 . 3 1 1 A 7 7 GLU CA C 7 56.400 54.603 1.797 1
3 49 . 3 1 1 A 7 7 GLU CB C 7 30.700 32.558 -1.858 1
3 51 . 3 1 1 A 8 8 VAL HA H 8 4.210 4.914 -0.704 1
3 59 . 3 1 1 A 8 8 VAL CA C 8 62.200 61.341 0.859 1
3 60 . 3 1 1 A 8 8 VAL CB C 8 33.300 34.722 -1.422 1
3 63 . 3 1 1 A 9 9 VAL HA H 9 4.430 5.001 -0.571 1
3 71 . 3 1 1 A 9 9 VAL CA C 9 61.600 59.254 2.346 1
3 72 . 3 1 1 A 9 9 VAL CB C 9 32.900 34.740 -1.840 1
3 75 . 3 1 1 A 10 10 VAL HA H 10 4.990 5.328 -0.338 1
3 83 . 3 1 1 A 10 10 VAL CA C 10 58.200 59.252 -1.052 1
3 84 . 3 1 1 A 10 10 VAL CB C 10 35.100 35.200 -0.100 1
3 87 . 3 1 1 A 11 11 VAL HA H 11 5.010 4.734 0.276 1
3 95 . 3 1 1 A 11 11 VAL CA C 11 59.500 59.804 -0.304 1
3 96 . 3 1 1 A 11 11 VAL CB C 11 35.100 34.413 0.687 1
3 99 . 3 1 1 A 12 12 ALA HA H 12 4.570 4.551 0.019 1
3 103 . 3 1 1 A 12 12 ALA CA C 12 52.700 52.732 -0.032 1
3 104 . 3 1 1 A 12 12 ALA CB C 12 19.900 19.110 0.790 1
3 105 . 3 1 1 A 13 13 LYS HA H 13 3.850 4.197 -0.347 1
3 114 . 3 1 1 A 13 13 LYS CA C 13 57.200 56.933 0.267 1
3 115 . 3 1 1 A 13 13 LYS CB C 13 33.800 33.442 0.358 1
3 119 . 3 1 1 A 14 14 PHE HA H 14 4.820 5.054 -0.234 1
3 122 . 3 1 1 A 14 14 PHE CA C 14 53.600 56.767 -3.167 1
3 123 . 3 1 1 A 14 14 PHE CB C 14 43.600 42.986 0.614 1
3 124 . 3 1 1 A 15 15 ASP HA H 15 4.810 5.695 -0.885 1
3 127 . 3 1 1 A 15 15 ASP CA C 15 54.500 52.944 1.556 1
3 128 . 3 1 1 A 15 15 ASP CB C 15 41.700 43.090 -1.390 1
3 129 . 3 1 1 A 16 16 TYR HA H 16 4.770 5.376 -0.606 1
3 132 . 3 1 1 A 16 16 TYR CA C 16 59.300 56.983 2.317 1
3 133 . 3 1 1 A 16 16 TYR CB C 16 41.600 42.534 -0.934 1
3 134 . 3 1 1 A 17 17 VAL HA H 17 4.160 4.237 -0.077 1
3 142 . 3 1 1 A 17 17 VAL CA C 17 60.500 60.828 -0.328 1
3 143 . 3 1 1 A 17 17 VAL CB C 17 32.200 32.865 -0.665 1
3 146 . 3 1 1 A 18 18 ALA HA H 18 4.240 4.695 -0.455 1
3 150 . 3 1 1 A 18 18 ALA CA C 18 53.200 52.252 0.948 1
3 151 . 3 1 1 A 18 18 ALA CB C 18 19.900 19.183 0.717 1
3 152 . 3 1 1 A 19 19 GLN HA H 19 4.310 3.929 0.381 1
3 157 . 3 1 1 A 19 19 GLN CA C 19 55.100 59.797 -4.697 1
3 158 . 3 1 1 A 19 19 GLN CB C 19 31.100 28.940 2.160 1
3 160 . 3 1 1 A 20 20 GLN HA H 20 4.590 4.344 0.246 1
3 165 . 3 1 1 A 20 20 GLN CA C 20 53.900 55.722 -1.822 1
3 166 . 3 1 1 A 20 20 GLN CB C 20 32.400 30.023 2.377 1
3 168 . 3 1 1 A 21 21 GLU HA H 21 4.100 4.081 0.019 1
3 173 . 3 1 1 A 21 21 GLU CA C 21 59.500 58.780 0.720 1
3 174 . 3 1 1 A 21 21 GLU CB C 21 29.700 29.126 0.574 1
3 176 . 3 1 1 A 22 22 GLN HA H 22 4.550 4.061 0.489 1
3 181 . 3 1 1 A 22 22 GLN CA C 22 56.600 58.920 -2.320 1
3 182 . 3 1 1 A 22 22 GLN CB C 22 28.000 28.803 -0.803 1
3 184 . 3 1 1 A 23 23 GLU HA H 23 5.340 4.536 0.804 1
3 189 . 3 1 1 A 23 23 GLU CA C 23 55.500 57.040 -1.540 1
3 190 . 3 1 1 A 23 23 GLU CB C 23 32.400 30.919 1.481 1
3 192 . 3 1 1 A 24 24 LEU HA H 24 4.690 5.193 -0.503 1
3 202 . 3 1 1 A 24 24 LEU CA C 24 53.100 53.583 -0.483 1
3 203 . 3 1 1 A 24 24 LEU CB C 24 46.500 45.379 1.121 1
3 207 . 3 1 1 A 25 25 ASP HA H 25 5.170 5.297 -0.127 1
3 210 . 3 1 1 A 25 25 ASP CA C 25 54.100 53.471 0.629 1
3 211 . 3 1 1 A 25 25 ASP CB C 25 42.300 41.915 0.385 1
3 212 . 3 1 1 A 26 26 ILE HA H 26 5.130 5.245 -0.115 1
3 222 . 3 1 1 A 26 26 ILE CA C 26 59.600 58.915 0.685 1
3 223 . 3 1 1 A 26 26 ILE CB C 26 42.400 42.083 0.317 1
3 227 . 3 1 1 A 27 27 LYS HA H 27 5.100 4.809 0.291 1
3 236 . 3 1 1 A 27 27 LYS CA C 27 52.800 55.171 -2.371 1
3 237 . 3 1 1 A 27 27 LYS CB C 27 35.400 36.564 -1.164 1
3 241 . 3 1 1 A 28 28 LYS HA H 28 3.120 3.918 -0.798 1
3 250 . 3 1 1 A 28 28 LYS CA C 28 59.100 58.276 0.824 1
3 251 . 3 1 1 A 28 28 LYS CB C 28 32.500 32.134 0.366 1
3 255 . 3 1 1 A 29 29 ASN HA H 29 4.180 4.197 -0.017 1
3 258 . 3 1 1 A 29 29 ASN CA C 29 55.800 54.401 1.399 1
3 259 . 3 1 1 A 29 29 ASN CB C 29 37.300 37.147 0.153 1
3 260 . 3 1 1 A 30 30 GLU HA H 30 4.170 4.829 -0.659 1
3 265 . 3 1 1 A 30 30 GLU CA C 30 57.600 54.934 2.666 1
3 266 . 3 1 1 A 30 30 GLU CB C 30 31.700 32.312 -0.612 1
3 268 . 3 1 1 A 31 31 ARG HA H 31 4.580 4.307 0.273 1
3 275 . 3 1 1 A 31 31 ARG CA C 31 56.200 56.502 -0.302 1
3 276 . 3 1 1 A 31 31 ARG CB C 31 30.800 30.931 -0.131 1
3 279 . 3 1 1 A 32 32 LEU HA H 32 4.860 4.489 0.371 1
3 289 . 3 1 1 A 32 32 LEU CA C 32 53.200 53.202 -0.002 1
3 290 . 3 1 1 A 32 32 LEU CB C 32 46.300 46.604 -0.304 1
3 294 . 3 1 1 A 33 33 TRP HA H 33 5.100 5.366 -0.266 1
3 297 . 3 1 1 A 33 33 TRP CA C 33 58.300 56.070 2.230 1
3 298 . 3 1 1 A 33 33 TRP CB C 33 31.000 30.999 0.001 1
3 299 . 3 1 1 A 34 34 LEU HA H 34 4.340 4.497 -0.157 1
3 309 . 3 1 1 A 34 34 LEU CA C 34 55.500 55.398 0.102 1
3 310 . 3 1 1 A 34 34 LEU CB C 34 43.700 42.736 0.964 1
3 314 . 3 1 1 A 35 35 LEU HA H 35 4.620 4.347 0.273 1
3 324 . 3 1 1 A 35 35 LEU CA C 35 55.400 56.226 -0.826 1
3 325 . 3 1 1 A 35 35 LEU CB C 35 42.700 42.524 0.176 1
3 329 . 3 1 1 A 36 36 ASP HA H 36 4.760 4.849 -0.089 1
3 332 . 3 1 1 A 36 36 ASP CA C 36 55.300 52.887 2.413 1
3 333 . 3 1 1 A 36 36 ASP CB C 36 43.400 42.567 0.833 1
3 334 . 3 1 1 A 37 37 ASP HA H 37 3.940 4.512 -0.572 1
3 337 . 3 1 1 A 37 37 ASP CA C 37 51.900 52.289 -0.389 1
3 338 . 3 1 1 A 37 37 ASP CB C 37 40.000 39.426 0.574 1
3 339 . 3 1 1 A 38 38 SER HA H 38 4.210 4.573 -0.363 1
3 342 . 3 1 1 A 38 38 SER CA C 38 61.400 60.840 0.560 1
3 343 . 3 1 1 A 38 38 SER CB C 38 63.900 64.196 -0.296 1
3 344 . 3 1 1 A 39 39 LYS HA H 39 4.910 4.468 0.442 1
3 353 . 3 1 1 A 39 39 LYS CA C 39 55.000 56.038 -1.038 1
3 354 . 3 1 1 A 39 39 LYS CB C 39 34.200 33.376 0.824 1
3 358 . 3 1 1 A 40 40 SER HA H 40 4.310 4.170 0.140 1
3 361 . 3 1 1 A 40 40 SER CA C 40 60.700 62.662 -1.962 1
3 362 . 3 1 1 A 40 40 SER CB C 40 63.100 63.111 -0.011 1
3 363 . 3 1 1 A 41 41 TRP HA H 41 4.860 4.864 -0.004 1
3 366 . 3 1 1 A 41 41 TRP CA C 41 56.600 56.636 -0.036 1
3 367 . 3 1 1 A 41 41 TRP CB C 41 29.500 29.825 -0.325 1
3 368 . 3 1 1 A 42 42 TRP HA H 42 5.450 5.123 0.327 1
3 371 . 3 1 1 A 42 42 TRP CA C 42 54.200 57.418 -3.218 1
3 372 . 3 1 1 A 42 42 TRP CB C 42 30.900 29.350 1.550 1
3 373 . 3 1 1 A 43 43 ARG HA H 43 4.550 4.562 -0.012 1
3 380 . 3 1 1 A 43 43 ARG CA C 43 55.400 56.081 -0.681 1
3 381 . 3 1 1 A 43 43 ARG CB C 43 32.200 30.504 1.696 1
3 384 . 3 1 1 A 44 44 VAL HA H 44 5.520 5.214 0.306 1
3 392 . 3 1 1 A 44 44 VAL CA C 44 58.800 58.712 0.088 1
3 393 . 3 1 1 A 44 44 VAL CB C 44 36.500 36.083 0.417 1
3 396 . 3 1 1 A 45 45 ARG HA H 45 5.530 5.353 0.177 1
3 403 . 3 1 1 A 45 45 ARG CA C 45 53.600 53.984 -0.384 1
3 404 . 3 1 1 A 45 45 ARG CB C 45 35.400 34.055 1.345 1
3 407 . 3 1 1 A 46 46 ASN HA H 46 5.490 5.323 0.167 1
3 410 . 3 1 1 A 46 46 ASN CA C 46 50.600 51.339 -0.739 1
3 411 . 3 1 1 A 46 46 ASN CB C 46 40.900 41.279 -0.379 1
3 412 . 3 1 1 A 47 47 SER HA H 47 4.320 4.515 -0.195 1
3 415 . 3 1 1 A 47 47 SER CA C 47 61.500 61.651 -0.151 1
3 416 . 3 1 1 A 47 47 SER CB C 47 63.000 62.933 0.067 1
3 417 . 3 1 1 A 48 48 MET HA H 48 4.730 4.575 0.155 1
3 425 . 3 1 1 A 48 48 MET CA C 48 54.400 55.806 -1.406 1
3 426 . 3 1 1 A 48 48 MET CB C 48 31.700 33.255 -1.555 1
3 429 . 3 1 1 A 49 49 ASN HA H 49 4.200 4.474 -0.274 1
3 432 . 3 1 1 A 49 49 ASN CA C 49 54.800 54.354 0.446 1
3 433 . 3 1 1 A 49 49 ASN CB C 49 37.000 36.537 0.463 1
3 434 . 3 1 1 A 50 50 LYS HA H 50 4.560 4.366 0.194 1
3 443 . 3 1 1 A 50 50 LYS CA C 50 55.600 56.326 -0.726 1
3 444 . 3 1 1 A 50 50 LYS CB C 50 33.300 34.072 -0.772 1
3 448 . 3 1 1 A 51 51 THR HA H 51 5.740 5.188 0.552 1
3 453 . 3 1 1 A 51 51 THR CA C 51 59.200 60.236 -1.036 1
3 454 . 3 1 1 A 51 51 THR CB C 51 71.700 72.920 -1.220 1
3 456 . 3 1 1 A 52 52 GLY HA2 H 52 4.090 4.183 -0.093 1
3 457 . 3 1 1 A 52 52 GLY HA3 H 52 3.920 4.232 -0.312 1
3 458 . 3 1 1 A 52 52 GLY CA C 52 45.600 45.663 -0.063 1
3 459 . 3 1 1 A 53 53 PHE HA H 53 5.870 5.126 0.744 1
3 462 . 3 1 1 A 53 53 PHE CA C 53 57.900 58.085 -0.185 1
3 463 . 3 1 1 A 53 53 PHE CB C 53 42.800 41.167 1.633 1
3 464 . 3 1 1 A 54 54 VAL HA H 54 4.790 4.945 -0.155 1
3 472 . 3 1 1 A 54 54 VAL CA C 54 57.500 58.567 -1.067 1
3 473 . 3 1 1 A 54 54 VAL CB C 54 33.300 35.355 -2.055 1
3 476 . 3 1 1 A 55 55 PRO HA H 55 3.230 4.407 -1.177 1
3 483 . 3 1 1 A 55 55 PRO CA C 55 62.300 62.270 0.030 1
3 484 . 3 1 1 A 55 55 PRO CB C 55 30.400 31.139 -0.739 1
3 487 . 3 1 1 A 57 57 ASN HA H 57 4.480 4.406 0.074 1
3 490 . 3 1 1 A 57 57 ASN CA C 57 53.700 55.102 -1.402 1
3 491 . 3 1 1 A 57 57 ASN CB C 57 36.600 38.143 -1.543 1
3 492 . 3 1 1 A 58 58 TYR HA H 58 4.460 4.784 -0.324 1
3 495 . 3 1 1 A 58 58 TYR CA C 58 59.000 58.701 0.299 1
3 496 . 3 1 1 A 58 58 TYR CB C 58 38.100 40.335 -2.235 1
3 497 . 3 1 1 A 59 59 VAL HA H 59 5.090 4.890 0.200 1
3 505 . 3 1 1 A 59 59 VAL CA C 59 58.600 59.623 -1.023 1
3 506 . 3 1 1 A 59 59 VAL CB C 59 35.500 35.464 0.036 1
3 509 . 3 1 1 A 60 60 GLU HA H 60 4.790 4.739 0.051 1
3 514 . 3 1 1 A 60 60 GLU CA C 60 54.300 55.871 -1.571 1
3 515 . 3 1 1 A 60 60 GLU CB C 60 33.300 33.346 -0.046 1
3 517 . 3 1 1 A 61 61 ARG HA H 61 4.540 4.515 0.025 1
3 524 . 3 1 1 A 61 61 ARG CA C 61 56.500 56.258 0.242 1
3 525 . 3 1 1 A 61 61 ARG CB C 61 31.200 30.514 0.686 1
3 528 . 3 1 1 A 62 62 LYS HA H 62 4.380 4.349 0.031 1
3 537 . 3 1 1 A 62 62 LYS CA C 62 55.900 57.045 -1.145 1
3 538 . 3 1 1 A 62 62 LYS CB C 62 33.200 33.340 -0.140 1
3 542 . 3 1 1 A 63 63 ASN HA H 63 4.740 5.016 -0.276 1
3 545 . 3 1 1 A 63 63 ASN CA C 63 53.200 52.475 0.725 1
3 546 . 3 1 1 A 63 63 ASN CB C 63 39.000 39.024 -0.024 1
3 547 . 3 1 1 A 64 64 SER HA H 64 4.430 4.538 -0.108 1
3 550 . 3 1 1 A 64 64 SER CA C 64 58.400 58.748 -0.348 1
3 551 . 3 1 1 A 64 64 SER CB C 64 63.900 61.419 2.481 1
3 552 . 3 1 1 A 65 65 ALA HA H 65 4.330 4.498 -0.168 1
3 556 . 3 1 1 A 65 65 ALA CA C 65 52.700 50.708 1.992 1
3 557 . 3 1 1 A 65 65 ALA CB C 65 19.300 17.975 1.325 1
3 558 . 3 1 1 A 66 66 ARG HA H 66 4.300 4.157 0.143 1
3 565 . 3 1 1 A 66 66 ARG CA C 66 56.000 56.940 -0.940 1
3 566 . 3 1 1 A 66 66 ARG CB C 66 30.900 29.171 1.729 1
3 569 . 3 1 1 A 67 67 ALA HA H 67 4.300 4.037 0.263 1
3 573 . 3 1 1 A 67 67 ALA CA C 67 52.400 55.352 -2.952 1
3 574 . 3 1 1 A 67 67 ALA CB C 67 19.200 18.659 0.541 1
3 575 . 3 1 1 A 69 69 ALA HA H 69 4.300 3.955 0.345 1
3 579 . 3 1 1 A 69 69 ALA CA C 69 52.400 55.452 -3.052 1
3 580 . 3 1 1 A 70 70 ASN HA H 70 4.750 5.145 -0.395 1
3 583 . 3 1 1 A 70 70 ASN CA C 70 53.300 51.775 1.525 1
3 584 . 3 1 1 A 70 70 ASN CB C 70 39.000 41.037 -2.037 1
3 585 . 3 1 1 A 71 71 SER HA H 71 4.520 4.554 -0.034 1
3 588 . 3 1 1 A 71 71 SER CA C 71 58.300 57.422 0.878 1
3 589 . 3 1 1 A 71 71 SER CB C 71 64.000 61.332 2.668 1
3 4 . 4 1 1 A 2 2 SER HA H 2 4.610 4.761 -0.151 1
3 7 . 4 1 1 A 2 2 SER CA C 2 58.200 57.174 1.026 1
3 8 . 4 1 1 A 2 2 SER CB C 2 63.900 64.064 -0.164 1
3 9 . 4 1 1 A 3 3 THR HA H 3 4.380 3.820 0.560 1
3 14 . 4 1 1 A 3 3 THR CA C 3 61.900 66.849 -4.949 1
3 15 . 4 1 1 A 3 3 THR CB C 3 69.700 69.094 0.606 1
3 17 . 4 1 1 A 4 4 MET HA H 4 4.460 4.550 -0.090 1
3 25 . 4 1 1 A 4 4 MET CA C 4 55.400 57.158 -1.758 1
3 26 . 4 1 1 A 4 4 MET CB C 4 32.900 31.845 1.055 1
3 29 . 4 1 1 A 5 5 ALA HA H 5 4.300 4.013 0.287 1
3 33 . 4 1 1 A 5 5 ALA CA C 5 52.600 53.177 -0.577 1
3 34 . 4 1 1 A 5 5 ALA CB C 5 19.300 18.427 0.873 1
3 35 . 4 1 1 A 6 6 GLU HA H 6 4.300 4.286 0.014 1
3 40 . 4 1 1 A 6 6 GLU CA C 6 56.100 57.020 -0.920 1
3 41 . 4 1 1 A 6 6 GLU CB C 6 30.700 29.041 1.659 1
3 43 . 4 1 1 A 7 7 GLU HA H 7 4.440 4.799 -0.359 1
3 48 . 4 1 1 A 7 7 GLU CA C 7 56.400 56.202 0.198 1
3 49 . 4 1 1 A 7 7 GLU CB C 7 30.700 33.500 -2.800 1
3 51 . 4 1 1 A 8 8 VAL HA H 8 4.210 4.896 -0.686 1
3 59 . 4 1 1 A 8 8 VAL CA C 8 62.200 60.581 1.619 1
3 60 . 4 1 1 A 8 8 VAL CB C 8 33.300 35.678 -2.378 1
3 63 . 4 1 1 A 9 9 VAL HA H 9 4.430 4.995 -0.565 1
3 71 . 4 1 1 A 9 9 VAL CA C 9 61.600 59.288 2.312 1
3 72 . 4 1 1 A 9 9 VAL CB C 9 32.900 34.854 -1.954 1
3 75 . 4 1 1 A 10 10 VAL HA H 10 4.990 5.306 -0.316 1
3 83 . 4 1 1 A 10 10 VAL CA C 10 58.200 59.393 -1.193 1
3 84 . 4 1 1 A 10 10 VAL CB C 10 35.100 35.429 -0.329 1
3 87 . 4 1 1 A 11 11 VAL HA H 11 5.010 4.685 0.325 1
3 95 . 4 1 1 A 11 11 VAL CA C 11 59.500 60.003 -0.503 1
3 96 . 4 1 1 A 11 11 VAL CB C 11 35.100 34.017 1.083 1
3 99 . 4 1 1 A 12 12 ALA HA H 12 4.570 4.465 0.105 1
3 103 . 4 1 1 A 12 12 ALA CA C 12 52.700 52.707 -0.007 1
3 104 . 4 1 1 A 12 12 ALA CB C 12 19.900 19.209 0.691 1
3 105 . 4 1 1 A 13 13 LYS HA H 13 3.850 4.373 -0.523 1
3 114 . 4 1 1 A 13 13 LYS CA C 13 57.200 56.074 1.126 1
3 115 . 4 1 1 A 13 13 LYS CB C 13 33.800 33.549 0.251 1
3 119 . 4 1 1 A 14 14 PHE HA H 14 4.820 5.047 -0.227 1
3 122 . 4 1 1 A 14 14 PHE CA C 14 53.600 56.555 -2.955 1
3 123 . 4 1 1 A 14 14 PHE CB C 14 43.600 43.591 0.009 1
3 124 . 4 1 1 A 15 15 ASP HA H 15 4.810 5.809 -0.999 1
3 127 . 4 1 1 A 15 15 ASP CA C 15 54.500 52.805 1.695 1
3 128 . 4 1 1 A 15 15 ASP CB C 15 41.700 43.434 -1.734 1
3 129 . 4 1 1 A 16 16 TYR HA H 16 4.770 5.353 -0.583 1
3 132 . 4 1 1 A 16 16 TYR CA C 16 59.300 57.195 2.105 1
3 133 . 4 1 1 A 16 16 TYR CB C 16 41.600 42.346 -0.746 1
3 134 . 4 1 1 A 17 17 VAL HA H 17 4.160 4.244 -0.084 1
3 142 . 4 1 1 A 17 17 VAL CA C 17 60.500 60.836 -0.336 1
3 143 . 4 1 1 A 17 17 VAL CB C 17 32.200 33.023 -0.823 1
3 146 . 4 1 1 A 18 18 ALA HA H 18 4.240 4.703 -0.463 1
3 150 . 4 1 1 A 18 18 ALA CA C 18 53.200 51.948 1.252 1
3 151 . 4 1 1 A 18 18 ALA CB C 18 19.900 18.897 1.003 1
3 152 . 4 1 1 A 19 19 GLN HA H 19 4.310 3.943 0.367 1
3 157 . 4 1 1 A 19 19 GLN CA C 19 55.100 59.969 -4.869 1
3 158 . 4 1 1 A 19 19 GLN CB C 19 31.100 28.957 2.143 1
3 160 . 4 1 1 A 20 20 GLN HA H 20 4.590 4.353 0.237 1
3 165 . 4 1 1 A 20 20 GLN CA C 20 53.900 55.415 -1.515 1
3 166 . 4 1 1 A 20 20 GLN CB C 20 32.400 29.427 2.973 1
3 168 . 4 1 1 A 21 21 GLU HA H 21 4.100 4.074 0.026 1
3 173 . 4 1 1 A 21 21 GLU CA C 21 59.500 58.598 0.902 1
3 174 . 4 1 1 A 21 21 GLU CB C 21 29.700 29.160 0.540 1
3 176 . 4 1 1 A 22 22 GLN HA H 22 4.550 4.155 0.395 1
3 181 . 4 1 1 A 22 22 GLN CA C 22 56.600 58.450 -1.850 1
3 182 . 4 1 1 A 22 22 GLN CB C 22 28.000 28.784 -0.784 1
3 184 . 4 1 1 A 23 23 GLU HA H 23 5.340 4.575 0.765 1
3 189 . 4 1 1 A 23 23 GLU CA C 23 55.500 57.054 -1.554 1
3 190 . 4 1 1 A 23 23 GLU CB C 23 32.400 30.743 1.657 1
3 192 . 4 1 1 A 24 24 LEU HA H 24 4.690 5.108 -0.418 1
3 202 . 4 1 1 A 24 24 LEU CA C 24 53.100 53.562 -0.462 1
3 203 . 4 1 1 A 24 24 LEU CB C 24 46.500 45.005 1.495 1
3 207 . 4 1 1 A 25 25 ASP HA H 25 5.170 5.304 -0.134 1
3 210 . 4 1 1 A 25 25 ASP CA C 25 54.100 53.332 0.768 1
3 211 . 4 1 1 A 25 25 ASP CB C 25 42.300 41.937 0.363 1
3 212 . 4 1 1 A 26 26 ILE HA H 26 5.130 5.257 -0.127 1
3 222 . 4 1 1 A 26 26 ILE CA C 26 59.600 58.905 0.695 1
3 223 . 4 1 1 A 26 26 ILE CB C 26 42.400 42.096 0.304 1
3 227 . 4 1 1 A 27 27 LYS HA H 27 5.100 4.818 0.282 1
3 236 . 4 1 1 A 27 27 LYS CA C 27 52.800 55.132 -2.332 1
3 237 . 4 1 1 A 27 27 LYS CB C 27 35.400 36.561 -1.161 1
3 241 . 4 1 1 A 28 28 LYS HA H 28 3.120 3.947 -0.827 1
3 250 . 4 1 1 A 28 28 LYS CA C 28 59.100 58.257 0.843 1
3 251 . 4 1 1 A 28 28 LYS CB C 28 32.500 32.138 0.362 1
3 255 . 4 1 1 A 29 29 ASN HA H 29 4.180 4.263 -0.083 1
3 258 . 4 1 1 A 29 29 ASN CA C 29 55.800 54.428 1.372 1
3 259 . 4 1 1 A 29 29 ASN CB C 29 37.300 37.107 0.193 1
3 260 . 4 1 1 A 30 30 GLU HA H 30 4.170 4.825 -0.655 1
3 265 . 4 1 1 A 30 30 GLU CA C 30 57.600 55.075 2.525 1
3 266 . 4 1 1 A 30 30 GLU CB C 30 31.700 32.207 -0.507 1
3 268 . 4 1 1 A 31 31 ARG HA H 31 4.580 4.542 0.038 1
3 275 . 4 1 1 A 31 31 ARG CA C 31 56.200 56.166 0.034 1
3 276 . 4 1 1 A 31 31 ARG CB C 31 30.800 30.701 0.099 1
3 279 . 4 1 1 A 32 32 LEU HA H 32 4.860 4.635 0.225 1
3 289 . 4 1 1 A 32 32 LEU CA C 32 53.200 52.974 0.226 1
3 290 . 4 1 1 A 32 32 LEU CB C 32 46.300 45.271 1.029 1
3 294 . 4 1 1 A 33 33 TRP HA H 33 5.100 5.273 -0.173 1
3 297 . 4 1 1 A 33 33 TRP CA C 33 58.300 56.035 2.265 1
3 298 . 4 1 1 A 33 33 TRP CB C 33 31.000 30.080 0.920 1
3 299 . 4 1 1 A 34 34 LEU HA H 34 4.340 4.370 -0.030 1
3 309 . 4 1 1 A 34 34 LEU CA C 34 55.500 55.778 -0.278 1
3 310 . 4 1 1 A 34 34 LEU CB C 34 43.700 42.351 1.349 1
3 314 . 4 1 1 A 35 35 LEU HA H 35 4.620 4.338 0.282 1
3 324 . 4 1 1 A 35 35 LEU CA C 35 55.400 56.278 -0.878 1
3 325 . 4 1 1 A 35 35 LEU CB C 35 42.700 42.380 0.320 1
3 329 . 4 1 1 A 36 36 ASP HA H 36 4.760 4.979 -0.219 1
3 332 . 4 1 1 A 36 36 ASP CA C 36 55.300 52.793 2.507 1
3 333 . 4 1 1 A 36 36 ASP CB C 36 43.400 42.704 0.696 1
3 334 . 4 1 1 A 37 37 ASP HA H 37 3.940 4.737 -0.797 1
3 337 . 4 1 1 A 37 37 ASP CA C 37 51.900 52.581 -0.681 1
3 338 . 4 1 1 A 37 37 ASP CB C 37 40.000 39.364 0.636 1
3 339 . 4 1 1 A 38 38 SER HA H 38 4.210 4.605 -0.395 1
3 342 . 4 1 1 A 38 38 SER CA C 38 61.400 60.087 1.313 1
3 343 . 4 1 1 A 38 38 SER CB C 38 63.900 64.723 -0.823 1
3 344 . 4 1 1 A 39 39 LYS HA H 39 4.910 4.458 0.452 1
3 353 . 4 1 1 A 39 39 LYS CA C 39 55.000 56.076 -1.076 1
3 354 . 4 1 1 A 39 39 LYS CB C 39 34.200 33.387 0.813 1
3 358 . 4 1 1 A 40 40 SER HA H 40 4.310 4.196 0.114 1
3 361 . 4 1 1 A 40 40 SER CA C 40 60.700 61.842 -1.142 1
3 362 . 4 1 1 A 40 40 SER CB C 40 63.100 63.144 -0.044 1
3 363 . 4 1 1 A 41 41 TRP HA H 41 4.860 4.827 0.033 1
3 366 . 4 1 1 A 41 41 TRP CA C 41 56.600 56.508 0.092 1
3 367 . 4 1 1 A 41 41 TRP CB C 41 29.500 29.893 -0.393 1
3 368 . 4 1 1 A 42 42 TRP HA H 42 5.450 5.131 0.319 1
3 371 . 4 1 1 A 42 42 TRP CA C 42 54.200 57.456 -3.256 1
3 372 . 4 1 1 A 42 42 TRP CB C 42 30.900 29.323 1.577 1
3 373 . 4 1 1 A 43 43 ARG HA H 43 4.550 4.671 -0.121 1
3 380 . 4 1 1 A 43 43 ARG CA C 43 55.400 56.137 -0.737 1
3 381 . 4 1 1 A 43 43 ARG CB C 43 32.200 30.280 1.920 1
3 384 . 4 1 1 A 44 44 VAL HA H 44 5.520 5.173 0.347 1
3 392 . 4 1 1 A 44 44 VAL CA C 44 58.800 58.762 0.038 1
3 393 . 4 1 1 A 44 44 VAL CB C 44 36.500 36.248 0.252 1
3 396 . 4 1 1 A 45 45 ARG HA H 45 5.530 5.354 0.176 1
3 403 . 4 1 1 A 45 45 ARG CA C 45 53.600 54.028 -0.428 1
3 404 . 4 1 1 A 45 45 ARG CB C 45 35.400 34.137 1.263 1
3 407 . 4 1 1 A 46 46 ASN HA H 46 5.490 5.306 0.184 1
3 410 . 4 1 1 A 46 46 ASN CA C 46 50.600 51.577 -0.977 1
3 411 . 4 1 1 A 46 46 ASN CB C 46 40.900 41.411 -0.511 1
3 412 . 4 1 1 A 47 47 SER HA H 47 4.320 4.521 -0.201 1
3 415 . 4 1 1 A 47 47 SER CA C 47 61.500 61.387 0.113 1
3 416 . 4 1 1 A 47 47 SER CB C 47 63.000 63.260 -0.260 1
3 417 . 4 1 1 A 48 48 MET HA H 48 4.730 4.594 0.136 1
3 425 . 4 1 1 A 48 48 MET CA C 48 54.400 55.783 -1.383 1
3 426 . 4 1 1 A 48 48 MET CB C 48 31.700 33.286 -1.586 1
3 429 . 4 1 1 A 49 49 ASN HA H 49 4.200 4.437 -0.237 1
3 432 . 4 1 1 A 49 49 ASN CA C 49 54.800 54.337 0.463 1
3 433 . 4 1 1 A 49 49 ASN CB C 49 37.000 36.523 0.477 1
3 434 . 4 1 1 A 50 50 LYS HA H 50 4.560 4.427 0.133 1
3 443 . 4 1 1 A 50 50 LYS CA C 50 55.600 56.183 -0.583 1
3 444 . 4 1 1 A 50 50 LYS CB C 50 33.300 34.137 -0.837 1
3 448 . 4 1 1 A 51 51 THR HA H 51 5.740 5.268 0.472 1
3 453 . 4 1 1 A 51 51 THR CA C 51 59.200 60.175 -0.975 1
3 454 . 4 1 1 A 51 51 THR CB C 51 71.700 73.029 -1.329 1
3 456 . 4 1 1 A 52 52 GLY HA2 H 52 4.090 4.133 -0.043 1
3 457 . 4 1 1 A 52 52 GLY HA3 H 52 3.920 4.194 -0.274 1
3 458 . 4 1 1 A 52 52 GLY CA C 52 45.600 45.796 -0.196 1
3 459 . 4 1 1 A 53 53 PHE HA H 53 5.870 5.191 0.679 1
3 462 . 4 1 1 A 53 53 PHE CA C 53 57.900 57.934 -0.034 1
3 463 . 4 1 1 A 53 53 PHE CB C 53 42.800 40.909 1.891 1
3 464 . 4 1 1 A 54 54 VAL HA H 54 4.790 5.062 -0.272 1
3 472 . 4 1 1 A 54 54 VAL CA C 54 57.500 58.304 -0.804 1
3 473 . 4 1 1 A 54 54 VAL CB C 54 33.300 34.813 -1.513 1
3 476 . 4 1 1 A 55 55 PRO HA H 55 3.230 4.325 -1.095 1
3 483 . 4 1 1 A 55 55 PRO CA C 55 62.300 62.475 -0.175 1
3 484 . 4 1 1 A 55 55 PRO CB C 55 30.400 32.287 -1.887 1
3 487 . 4 1 1 A 57 57 ASN HA H 57 4.480 4.465 0.015 1
3 490 . 4 1 1 A 57 57 ASN CA C 57 53.700 54.964 -1.264 1
3 491 . 4 1 1 A 57 57 ASN CB C 57 36.600 38.727 -2.127 1
3 492 . 4 1 1 A 58 58 TYR HA H 58 4.460 4.717 -0.257 1
3 495 . 4 1 1 A 58 58 TYR CA C 58 59.000 58.948 0.052 1
3 496 . 4 1 1 A 58 58 TYR CB C 58 38.100 39.892 -1.792 1
3 497 . 4 1 1 A 59 59 VAL HA H 59 5.090 4.857 0.233 1
3 505 . 4 1 1 A 59 59 VAL CA C 59 58.600 59.342 -0.742 1
3 506 . 4 1 1 A 59 59 VAL CB C 59 35.500 35.531 -0.031 1
3 509 . 4 1 1 A 60 60 GLU HA H 60 4.790 4.759 0.031 1
3 514 . 4 1 1 A 60 60 GLU CA C 60 54.300 56.007 -1.707 1
3 515 . 4 1 1 A 60 60 GLU CB C 60 33.300 33.430 -0.130 1
3 517 . 4 1 1 A 61 61 ARG HA H 61 4.540 4.506 0.034 1
3 524 . 4 1 1 A 61 61 ARG CA C 61 56.500 56.302 0.198 1
3 525 . 4 1 1 A 61 61 ARG CB C 61 31.200 30.571 0.629 1
3 528 . 4 1 1 A 62 62 LYS HA H 62 4.380 4.263 0.117 1
3 537 . 4 1 1 A 62 62 LYS CA C 62 55.900 56.325 -0.425 1
3 538 . 4 1 1 A 62 62 LYS CB C 62 33.200 33.563 -0.363 1
3 542 . 4 1 1 A 63 63 ASN HA H 63 4.740 4.866 -0.126 1
3 545 . 4 1 1 A 63 63 ASN CA C 63 53.200 51.989 1.211 1
3 546 . 4 1 1 A 63 63 ASN CB C 63 39.000 37.203 1.797 1
3 547 . 4 1 1 A 64 64 SER HA H 64 4.430 4.487 -0.057 1
3 550 . 4 1 1 A 64 64 SER CA C 64 58.400 58.168 0.232 1
3 551 . 4 1 1 A 64 64 SER CB C 64 63.900 62.960 0.940 1
3 552 . 4 1 1 A 65 65 ALA HA H 65 4.330 4.524 -0.194 1
3 556 . 4 1 1 A 65 65 ALA CA C 65 52.700 51.080 1.620 1
3 557 . 4 1 1 A 65 65 ALA CB C 65 19.300 19.491 -0.191 1
3 558 . 4 1 1 A 66 66 ARG HA H 66 4.300 4.476 -0.176 1
3 565 . 4 1 1 A 66 66 ARG CA C 66 56.000 55.555 0.445 1
3 566 . 4 1 1 A 66 66 ARG CB C 66 30.900 30.962 -0.062 1
3 569 . 4 1 1 A 67 67 ALA HA H 67 4.300 4.175 0.125 1
3 573 . 4 1 1 A 67 67 ALA CA C 67 52.400 54.755 -2.355 1
3 574 . 4 1 1 A 67 67 ALA CB C 67 19.200 18.858 0.342 1
3 575 . 4 1 1 A 69 69 ALA HA H 69 4.300 4.341 -0.041 1
3 579 . 4 1 1 A 69 69 ALA CA C 69 52.400 51.728 0.672 1
3 580 . 4 1 1 A 70 70 ASN HA H 70 4.750 4.672 0.078 1
3 583 . 4 1 1 A 70 70 ASN CA C 70 53.300 55.296 -1.996 1
3 584 . 4 1 1 A 70 70 ASN CB C 70 39.000 37.298 1.702 1
3 585 . 4 1 1 A 71 71 SER HA H 71 4.520 4.098 0.422 1
3 588 . 4 1 1 A 71 71 SER CA C 71 58.300 58.853 -0.553 1
3 589 . 4 1 1 A 71 71 SER CB C 71 64.000 61.909 2.091 1
3 4 . 5 1 1 A 2 2 SER HA H 2 4.610 5.411 -0.801 1
3 7 . 5 1 1 A 2 2 SER CA C 2 58.200 56.946 1.254 1
3 8 . 5 1 1 A 2 2 SER CB C 2 63.900 65.052 -1.152 1
3 9 . 5 1 1 A 3 3 THR HA H 3 4.380 4.292 0.088 1
3 14 . 5 1 1 A 3 3 THR CA C 3 61.900 63.499 -1.599 1
3 15 . 5 1 1 A 3 3 THR CB C 3 69.700 68.473 1.227 1
3 17 . 5 1 1 A 4 4 MET HA H 4 4.460 4.748 -0.288 1
3 25 . 5 1 1 A 4 4 MET CA C 4 55.400 56.225 -0.825 1
3 26 . 5 1 1 A 4 4 MET CB C 4 32.900 35.051 -2.151 1
3 29 . 5 1 1 A 5 5 ALA HA H 5 4.300 4.117 0.183 1
3 33 . 5 1 1 A 5 5 ALA CA C 5 52.600 54.563 -1.963 1
3 34 . 5 1 1 A 5 5 ALA CB C 5 19.300 19.225 0.075 1
3 35 . 5 1 1 A 6 6 GLU HA H 6 4.300 4.302 -0.002 1
3 40 . 5 1 1 A 6 6 GLU CA C 6 56.100 57.303 -1.203 1
3 41 . 5 1 1 A 6 6 GLU CB C 6 30.700 28.704 1.996 1
3 43 . 5 1 1 A 7 7 GLU HA H 7 4.440 4.811 -0.371 1
3 48 . 5 1 1 A 7 7 GLU CA C 7 56.400 55.961 0.439 1
3 49 . 5 1 1 A 7 7 GLU CB C 7 30.700 30.722 -0.022 1
3 51 . 5 1 1 A 8 8 VAL HA H 8 4.210 4.934 -0.724 1
3 59 . 5 1 1 A 8 8 VAL CA C 8 62.200 61.219 0.981 1
3 60 . 5 1 1 A 8 8 VAL CB C 8 33.300 35.184 -1.884 1
3 63 . 5 1 1 A 9 9 VAL HA H 9 4.430 5.056 -0.626 1
3 71 . 5 1 1 A 9 9 VAL CA C 9 61.600 59.196 2.404 1
3 72 . 5 1 1 A 9 9 VAL CB C 9 32.900 34.985 -2.085 1
3 75 . 5 1 1 A 10 10 VAL HA H 10 4.990 5.451 -0.461 1
3 83 . 5 1 1 A 10 10 VAL CA C 10 58.200 59.242 -1.042 1
3 84 . 5 1 1 A 10 10 VAL CB C 10 35.100 35.447 -0.347 1
3 87 . 5 1 1 A 11 11 VAL HA H 11 5.010 4.783 0.227 1
3 95 . 5 1 1 A 11 11 VAL CA C 11 59.500 59.835 -0.335 1
3 96 . 5 1 1 A 11 11 VAL CB C 11 35.100 34.234 0.866 1
3 99 . 5 1 1 A 12 12 ALA HA H 12 4.570 4.713 -0.143 1
3 103 . 5 1 1 A 12 12 ALA CA C 12 52.700 52.960 -0.260 1
3 104 . 5 1 1 A 12 12 ALA CB C 12 19.900 19.233 0.667 1
3 105 . 5 1 1 A 13 13 LYS HA H 13 3.850 4.265 -0.415 1
3 114 . 5 1 1 A 13 13 LYS CA C 13 57.200 56.671 0.529 1
3 115 . 5 1 1 A 13 13 LYS CB C 13 33.800 33.315 0.485 1
3 119 . 5 1 1 A 14 14 PHE HA H 14 4.820 5.085 -0.265 1
3 122 . 5 1 1 A 14 14 PHE CA C 14 53.600 56.668 -3.068 1
3 123 . 5 1 1 A 14 14 PHE CB C 14 43.600 43.506 0.094 1
3 124 . 5 1 1 A 15 15 ASP HA H 15 4.810 5.756 -0.946 1
3 127 . 5 1 1 A 15 15 ASP CA C 15 54.500 52.505 1.995 1
3 128 . 5 1 1 A 15 15 ASP CB C 15 41.700 43.867 -2.167 1
3 129 . 5 1 1 A 16 16 TYR HA H 16 4.770 5.065 -0.295 1
3 132 . 5 1 1 A 16 16 TYR CA C 16 59.300 56.867 2.433 1
3 133 . 5 1 1 A 16 16 TYR CB C 16 41.600 42.107 -0.507 1
3 134 . 5 1 1 A 17 17 VAL HA H 17 4.160 4.200 -0.040 1
3 142 . 5 1 1 A 17 17 VAL CA C 17 60.500 60.828 -0.328 1
3 143 . 5 1 1 A 17 17 VAL CB C 17 32.200 32.816 -0.616 1
3 146 . 5 1 1 A 18 18 ALA HA H 18 4.240 4.350 -0.110 1
3 150 . 5 1 1 A 18 18 ALA CA C 18 53.200 52.319 0.881 1
3 151 . 5 1 1 A 18 18 ALA CB C 18 19.900 19.351 0.549 1
3 152 . 5 1 1 A 19 19 GLN HA H 19 4.310 3.970 0.340 1
3 157 . 5 1 1 A 19 19 GLN CA C 19 55.100 59.779 -4.679 1
3 158 . 5 1 1 A 19 19 GLN CB C 19 31.100 29.017 2.083 1
3 160 . 5 1 1 A 20 20 GLN HA H 20 4.590 4.384 0.206 1
3 165 . 5 1 1 A 20 20 GLN CA C 20 53.900 55.356 -1.456 1
3 166 . 5 1 1 A 20 20 GLN CB C 20 32.400 30.432 1.968 1
3 168 . 5 1 1 A 21 21 GLU HA H 21 4.100 4.076 0.024 1
3 173 . 5 1 1 A 21 21 GLU CA C 21 59.500 58.708 0.792 1
3 174 . 5 1 1 A 21 21 GLU CB C 21 29.700 29.144 0.556 1
3 176 . 5 1 1 A 22 22 GLN HA H 22 4.550 4.063 0.487 1
3 181 . 5 1 1 A 22 22 GLN CA C 22 56.600 58.871 -2.271 1
3 182 . 5 1 1 A 22 22 GLN CB C 22 28.000 28.712 -0.712 1
3 184 . 5 1 1 A 23 23 GLU HA H 23 5.340 4.550 0.790 1
3 189 . 5 1 1 A 23 23 GLU CA C 23 55.500 56.993 -1.493 1
3 190 . 5 1 1 A 23 23 GLU CB C 23 32.400 30.975 1.425 1
3 192 . 5 1 1 A 24 24 LEU HA H 24 4.690 5.154 -0.464 1
3 202 . 5 1 1 A 24 24 LEU CA C 24 53.100 53.562 -0.462 1
3 203 . 5 1 1 A 24 24 LEU CB C 24 46.500 45.555 0.945 1
3 207 . 5 1 1 A 25 25 ASP HA H 25 5.170 5.333 -0.163 1
3 210 . 5 1 1 A 25 25 ASP CA C 25 54.100 53.081 1.019 1
3 211 . 5 1 1 A 25 25 ASP CB C 25 42.300 42.247 0.053 1
3 212 . 5 1 1 A 26 26 ILE HA H 26 5.130 5.226 -0.096 1
3 222 . 5 1 1 A 26 26 ILE CA C 26 59.600 58.877 0.723 1
3 223 . 5 1 1 A 26 26 ILE CB C 26 42.400 41.960 0.440 1
3 227 . 5 1 1 A 27 27 LYS HA H 27 5.100 4.771 0.329 1
3 236 . 5 1 1 A 27 27 LYS CA C 27 52.800 55.144 -2.344 1
3 237 . 5 1 1 A 27 27 LYS CB C 27 35.400 36.548 -1.148 1
3 241 . 5 1 1 A 28 28 LYS HA H 28 3.120 3.951 -0.831 1
3 250 . 5 1 1 A 28 28 LYS CA C 28 59.100 58.301 0.799 1
3 251 . 5 1 1 A 28 28 LYS CB C 28 32.500 32.197 0.303 1
3 255 . 5 1 1 A 29 29 ASN HA H 29 4.180 4.214 -0.034 1
3 258 . 5 1 1 A 29 29 ASN CA C 29 55.800 54.486 1.314 1
3 259 . 5 1 1 A 29 29 ASN CB C 29 37.300 37.190 0.110 1
3 260 . 5 1 1 A 30 30 GLU HA H 30 4.170 4.801 -0.631 1
3 265 . 5 1 1 A 30 30 GLU CA C 30 57.600 55.166 2.434 1
3 266 . 5 1 1 A 30 30 GLU CB C 30 31.700 32.216 -0.516 1
3 268 . 5 1 1 A 31 31 ARG HA H 31 4.580 4.673 -0.093 1
3 275 . 5 1 1 A 31 31 ARG CA C 31 56.200 55.775 0.425 1
3 276 . 5 1 1 A 31 31 ARG CB C 31 30.800 30.781 0.019 1
3 279 . 5 1 1 A 32 32 LEU HA H 32 4.860 4.627 0.233 1
3 289 . 5 1 1 A 32 32 LEU CA C 32 53.200 52.907 0.293 1
3 290 . 5 1 1 A 32 32 LEU CB C 32 46.300 44.696 1.604 1
3 294 . 5 1 1 A 33 33 TRP HA H 33 5.100 5.245 -0.145 1
3 297 . 5 1 1 A 33 33 TRP CA C 33 58.300 55.975 2.325 1
3 298 . 5 1 1 A 33 33 TRP CB C 33 31.000 30.439 0.561 1
3 299 . 5 1 1 A 34 34 LEU HA H 34 4.340 4.400 -0.060 1
3 309 . 5 1 1 A 34 34 LEU CA C 34 55.500 55.820 -0.320 1
3 310 . 5 1 1 A 34 34 LEU CB C 34 43.700 42.566 1.134 1
3 314 . 5 1 1 A 35 35 LEU HA H 35 4.620 4.427 0.193 1
3 324 . 5 1 1 A 35 35 LEU CA C 35 55.400 55.853 -0.453 1
3 325 . 5 1 1 A 35 35 LEU CB C 35 42.700 43.118 -0.418 1
3 329 . 5 1 1 A 36 36 ASP HA H 36 4.760 4.929 -0.169 1
3 332 . 5 1 1 A 36 36 ASP CA C 36 55.300 53.752 1.548 1
3 333 . 5 1 1 A 36 36 ASP CB C 36 43.400 42.730 0.670 1
3 334 . 5 1 1 A 37 37 ASP HA H 37 3.940 4.486 -0.546 1
3 337 . 5 1 1 A 37 37 ASP CA C 37 51.900 52.413 -0.513 1
3 338 . 5 1 1 A 37 37 ASP CB C 37 40.000 39.246 0.754 1
3 339 . 5 1 1 A 38 38 SER HA H 38 4.210 4.609 -0.399 1
3 342 . 5 1 1 A 38 38 SER CA C 38 61.400 59.161 2.239 1
3 343 . 5 1 1 A 38 38 SER CB C 38 63.900 64.392 -0.492 1
3 344 . 5 1 1 A 39 39 LYS HA H 39 4.910 4.469 0.441 1
3 353 . 5 1 1 A 39 39 LYS CA C 39 55.000 56.063 -1.063 1
3 354 . 5 1 1 A 39 39 LYS CB C 39 34.200 33.475 0.725 1
3 358 . 5 1 1 A 40 40 SER HA H 40 4.310 4.225 0.085 1
3 361 . 5 1 1 A 40 40 SER CA C 40 60.700 61.880 -1.180 1
3 362 . 5 1 1 A 40 40 SER CB C 40 63.100 63.352 -0.252 1
3 363 . 5 1 1 A 41 41 TRP HA H 41 4.860 4.885 -0.025 1
3 366 . 5 1 1 A 41 41 TRP CA C 41 56.600 56.698 -0.098 1
3 367 . 5 1 1 A 41 41 TRP CB C 41 29.500 29.889 -0.389 1
3 368 . 5 1 1 A 42 42 TRP HA H 42 5.450 5.111 0.339 1
3 371 . 5 1 1 A 42 42 TRP CA C 42 54.200 57.432 -3.232 1
3 372 . 5 1 1 A 42 42 TRP CB C 42 30.900 29.285 1.615 1
3 373 . 5 1 1 A 43 43 ARG HA H 43 4.550 4.634 -0.084 1
3 380 . 5 1 1 A 43 43 ARG CA C 43 55.400 55.989 -0.589 1
3 381 . 5 1 1 A 43 43 ARG CB C 43 32.200 30.137 2.063 1
3 384 . 5 1 1 A 44 44 VAL HA H 44 5.520 5.039 0.481 1
3 392 . 5 1 1 A 44 44 VAL CA C 44 58.800 58.760 0.040 1
3 393 . 5 1 1 A 44 44 VAL CB C 44 36.500 36.245 0.255 1
3 396 . 5 1 1 A 45 45 ARG HA H 45 5.530 5.334 0.196 1
3 403 . 5 1 1 A 45 45 ARG CA C 45 53.600 53.793 -0.193 1
3 404 . 5 1 1 A 45 45 ARG CB C 45 35.400 33.958 1.442 1
3 407 . 5 1 1 A 46 46 ASN HA H 46 5.490 5.410 0.080 1
3 410 . 5 1 1 A 46 46 ASN CA C 46 50.600 51.275 -0.675 1
3 411 . 5 1 1 A 46 46 ASN CB C 46 40.900 41.624 -0.724 1
3 412 . 5 1 1 A 47 47 SER HA H 47 4.320 4.462 -0.142 1
3 415 . 5 1 1 A 47 47 SER CA C 47 61.500 61.682 -0.182 1
3 416 . 5 1 1 A 47 47 SER CB C 47 63.000 62.947 0.053 1
3 417 . 5 1 1 A 48 48 MET HA H 48 4.730 4.582 0.148 1
3 425 . 5 1 1 A 48 48 MET CA C 48 54.400 55.825 -1.425 1
3 426 . 5 1 1 A 48 48 MET CB C 48 31.700 33.312 -1.612 1
3 429 . 5 1 1 A 49 49 ASN HA H 49 4.200 4.443 -0.243 1
3 432 . 5 1 1 A 49 49 ASN CA C 49 54.800 54.341 0.459 1
3 433 . 5 1 1 A 49 49 ASN CB C 49 37.000 36.528 0.472 1
3 434 . 5 1 1 A 50 50 LYS HA H 50 4.560 4.374 0.186 1
3 443 . 5 1 1 A 50 50 LYS CA C 50 55.600 56.407 -0.807 1
3 444 . 5 1 1 A 50 50 LYS CB C 50 33.300 33.511 -0.211 1
3 448 . 5 1 1 A 51 51 THR HA H 51 5.740 5.304 0.436 1
3 453 . 5 1 1 A 51 51 THR CA C 51 59.200 59.786 -0.586 1
3 454 . 5 1 1 A 51 51 THR CB C 51 71.700 72.743 -1.043 1
3 456 . 5 1 1 A 52 52 GLY HA2 H 52 4.090 4.273 -0.183 1
3 457 . 5 1 1 A 52 52 GLY HA3 H 52 3.920 4.318 -0.398 1
3 458 . 5 1 1 A 52 52 GLY CA C 52 45.600 45.979 -0.379 1
3 459 . 5 1 1 A 53 53 PHE HA H 53 5.870 5.389 0.481 1
3 462 . 5 1 1 A 53 53 PHE CA C 53 57.900 57.213 0.687 1
3 463 . 5 1 1 A 53 53 PHE CB C 53 42.800 40.921 1.879 1
3 464 . 5 1 1 A 54 54 VAL HA H 54 4.790 5.246 -0.456 1
3 472 . 5 1 1 A 54 54 VAL CA C 54 57.500 58.299 -0.799 1
3 473 . 5 1 1 A 54 54 VAL CB C 54 33.300 34.426 -1.126 1
3 476 . 5 1 1 A 55 55 PRO HA H 55 3.230 4.358 -1.128 1
3 483 . 5 1 1 A 55 55 PRO CA C 55 62.300 62.396 -0.096 1
3 484 . 5 1 1 A 55 55 PRO CB C 55 30.400 32.493 -2.093 1
3 487 . 5 1 1 A 57 57 ASN HA H 57 4.480 4.714 -0.234 1
3 490 . 5 1 1 A 57 57 ASN CA C 57 53.700 53.885 -0.185 1
3 491 . 5 1 1 A 57 57 ASN CB C 57 36.600 39.100 -2.500 1
3 492 . 5 1 1 A 58 58 TYR HA H 58 4.460 4.785 -0.325 1
3 495 . 5 1 1 A 58 58 TYR CA C 58 59.000 57.306 1.694 1
3 496 . 5 1 1 A 58 58 TYR CB C 58 38.100 38.234 -0.134 1
3 497 . 5 1 1 A 59 59 VAL HA H 59 5.090 4.878 0.212 1
3 505 . 5 1 1 A 59 59 VAL CA C 59 58.600 59.505 -0.905 1
3 506 . 5 1 1 A 59 59 VAL CB C 59 35.500 35.709 -0.209 1
3 509 . 5 1 1 A 60 60 GLU HA H 60 4.790 4.654 0.136 1
3 514 . 5 1 1 A 60 60 GLU CA C 60 54.300 55.611 -1.311 1
3 515 . 5 1 1 A 60 60 GLU CB C 60 33.300 33.699 -0.399 1
3 517 . 5 1 1 A 61 61 ARG HA H 61 4.540 4.619 -0.079 1
3 524 . 5 1 1 A 61 61 ARG CA C 61 56.500 57.227 -0.727 1
3 525 . 5 1 1 A 61 61 ARG CB C 61 31.200 30.681 0.519 1
3 528 . 5 1 1 A 62 62 LYS HA H 62 4.380 3.799 0.581 1
3 537 . 5 1 1 A 62 62 LYS CA C 62 55.900 60.281 -4.381 1
3 538 . 5 1 1 A 62 62 LYS CB C 62 33.200 32.181 1.019 1
3 542 . 5 1 1 A 63 63 ASN HA H 63 4.740 4.464 0.276 1
3 545 . 5 1 1 A 63 63 ASN CA C 63 53.200 53.891 -0.691 1
3 546 . 5 1 1 A 63 63 ASN CB C 63 39.000 36.148 2.852 1
3 547 . 5 1 1 A 64 64 SER HA H 64 4.430 4.421 0.009 1
3 550 . 5 1 1 A 64 64 SER CA C 64 58.400 61.248 -2.848 1
3 551 . 5 1 1 A 64 64 SER CB C 64 63.900 63.489 0.411 1
3 552 . 5 1 1 A 65 65 ALA HA H 65 4.330 4.419 -0.089 1
3 556 . 5 1 1 A 65 65 ALA CA C 65 52.700 51.488 1.212 1
3 557 . 5 1 1 A 65 65 ALA CB C 65 19.300 19.405 -0.105 1
3 558 . 5 1 1 A 66 66 ARG HA H 66 4.300 3.990 0.310 1
3 565 . 5 1 1 A 66 66 ARG CA C 66 56.000 56.357 -0.357 1
3 566 . 5 1 1 A 66 66 ARG CB C 66 30.900 28.824 2.076 1
3 569 . 5 1 1 A 67 67 ALA HA H 67 4.300 4.007 0.293 1
3 573 . 5 1 1 A 67 67 ALA CA C 67 52.400 55.126 -2.726 1
3 574 . 5 1 1 A 67 67 ALA CB C 67 19.200 18.468 0.732 1
3 575 . 5 1 1 A 69 69 ALA HA H 69 4.300 4.143 0.157 1
3 579 . 5 1 1 A 69 69 ALA CA C 69 52.400 52.410 -0.010 1
3 580 . 5 1 1 A 70 70 ASN HA H 70 4.750 4.917 -0.167 1
3 583 . 5 1 1 A 70 70 ASN CA C 70 53.300 53.709 -0.409 1
3 584 . 5 1 1 A 70 70 ASN CB C 70 39.000 41.221 -2.221 1
3 585 . 5 1 1 A 71 71 SER HA H 71 4.520 4.119 0.401 1
3 588 . 5 1 1 A 71 71 SER CA C 71 58.300 59.100 -0.800 1
3 589 . 5 1 1 A 71 71 SER CB C 71 64.000 61.670 2.330 1
3 4 . 6 1 1 A 2 2 SER HA H 2 4.610 4.738 -0.128 1
3 7 . 6 1 1 A 2 2 SER CA C 2 58.200 56.963 1.237 1
3 8 . 6 1 1 A 2 2 SER CB C 2 63.900 63.499 0.401 1
3 9 . 6 1 1 A 3 3 THR HA H 3 4.380 4.408 -0.028 1
3 14 . 6 1 1 A 3 3 THR CA C 3 61.900 63.034 -1.134 1
3 15 . 6 1 1 A 3 3 THR CB C 3 69.700 69.869 -0.169 1
3 17 . 6 1 1 A 4 4 MET HA H 4 4.460 4.746 -0.286 1
3 25 . 6 1 1 A 4 4 MET CA C 4 55.400 56.319 -0.919 1
3 26 . 6 1 1 A 4 4 MET CB C 4 32.900 35.068 -2.168 1
3 29 . 6 1 1 A 5 5 ALA HA H 5 4.300 4.317 -0.017 1
3 33 . 6 1 1 A 5 5 ALA CA C 5 52.600 51.660 0.940 1
3 34 . 6 1 1 A 5 5 ALA CB C 5 19.300 18.397 0.903 1
3 35 . 6 1 1 A 6 6 GLU HA H 6 4.300 4.682 -0.382 1
3 40 . 6 1 1 A 6 6 GLU CA C 6 56.100 56.446 -0.346 1
3 41 . 6 1 1 A 6 6 GLU CB C 6 30.700 31.089 -0.389 1
3 43 . 6 1 1 A 7 7 GLU HA H 7 4.440 5.048 -0.608 1
3 48 . 6 1 1 A 7 7 GLU CA C 7 56.400 54.885 1.515 1
3 49 . 6 1 1 A 7 7 GLU CB C 7 30.700 33.090 -2.390 1
3 51 . 6 1 1 A 8 8 VAL HA H 8 4.210 4.771 -0.561 1
3 59 . 6 1 1 A 8 8 VAL CA C 8 62.200 61.169 1.031 1
3 60 . 6 1 1 A 8 8 VAL CB C 8 33.300 35.185 -1.885 1
3 63 . 6 1 1 A 9 9 VAL HA H 9 4.430 4.969 -0.539 1
3 71 . 6 1 1 A 9 9 VAL CA C 9 61.600 59.288 2.312 1
3 72 . 6 1 1 A 9 9 VAL CB C 9 32.900 34.662 -1.762 1
3 75 . 6 1 1 A 10 10 VAL HA H 10 4.990 5.306 -0.316 1
3 83 . 6 1 1 A 10 10 VAL CA C 10 58.200 59.041 -0.841 1
3 84 . 6 1 1 A 10 10 VAL CB C 10 35.100 35.424 -0.324 1
3 87 . 6 1 1 A 11 11 VAL HA H 11 5.010 4.838 0.172 1
3 95 . 6 1 1 A 11 11 VAL CA C 11 59.500 59.483 0.017 1
3 96 . 6 1 1 A 11 11 VAL CB C 11 35.100 34.139 0.961 1
3 99 . 6 1 1 A 12 12 ALA HA H 12 4.570 4.822 -0.252 1
3 103 . 6 1 1 A 12 12 ALA CA C 12 52.700 52.067 0.633 1
3 104 . 6 1 1 A 12 12 ALA CB C 12 19.900 19.007 0.893 1
3 105 . 6 1 1 A 13 13 LYS HA H 13 3.850 4.241 -0.391 1
3 114 . 6 1 1 A 13 13 LYS CA C 13 57.200 56.508 0.692 1
3 115 . 6 1 1 A 13 13 LYS CB C 13 33.800 32.921 0.879 1
3 119 . 6 1 1 A 14 14 PHE HA H 14 4.820 5.076 -0.256 1
3 122 . 6 1 1 A 14 14 PHE CA C 14 53.600 56.697 -3.097 1
3 123 . 6 1 1 A 14 14 PHE CB C 14 43.600 44.119 -0.519 1
3 124 . 6 1 1 A 15 15 ASP HA H 15 4.810 5.855 -1.045 1
3 127 . 6 1 1 A 15 15 ASP CA C 15 54.500 52.637 1.863 1
3 128 . 6 1 1 A 15 15 ASP CB C 15 41.700 43.834 -2.134 1
3 129 . 6 1 1 A 16 16 TYR HA H 16 4.770 5.233 -0.463 1
3 132 . 6 1 1 A 16 16 TYR CA C 16 59.300 56.944 2.356 1
3 133 . 6 1 1 A 16 16 TYR CB C 16 41.600 42.059 -0.459 1
3 134 . 6 1 1 A 17 17 VAL HA H 17 4.160 4.224 -0.064 1
3 142 . 6 1 1 A 17 17 VAL CA C 17 60.500 60.833 -0.333 1
3 143 . 6 1 1 A 17 17 VAL CB C 17 32.200 32.811 -0.611 1
3 146 . 6 1 1 A 18 18 ALA HA H 18 4.240 4.355 -0.115 1
3 150 . 6 1 1 A 18 18 ALA CA C 18 53.200 52.177 1.023 1
3 151 . 6 1 1 A 18 18 ALA CB C 18 19.900 18.971 0.929 1
3 152 . 6 1 1 A 19 19 GLN HA H 19 4.310 3.925 0.385 1
3 157 . 6 1 1 A 19 19 GLN CA C 19 55.100 59.992 -4.892 1
3 158 . 6 1 1 A 19 19 GLN CB C 19 31.100 28.898 2.202 1
3 160 . 6 1 1 A 20 20 GLN HA H 20 4.590 4.320 0.270 1
3 165 . 6 1 1 A 20 20 GLN CA C 20 53.900 55.652 -1.752 1
3 166 . 6 1 1 A 20 20 GLN CB C 20 32.400 29.342 3.058 1
3 168 . 6 1 1 A 21 21 GLU HA H 21 4.100 4.059 0.041 1
3 173 . 6 1 1 A 21 21 GLU CA C 21 59.500 58.601 0.899 1
3 174 . 6 1 1 A 21 21 GLU CB C 21 29.700 29.168 0.532 1
3 176 . 6 1 1 A 22 22 GLN HA H 22 4.550 4.127 0.423 1
3 181 . 6 1 1 A 22 22 GLN CA C 22 56.600 58.255 -1.655 1
3 182 . 6 1 1 A 22 22 GLN CB C 22 28.000 28.703 -0.703 1
3 184 . 6 1 1 A 23 23 GLU HA H 23 5.340 4.558 0.782 1
3 189 . 6 1 1 A 23 23 GLU CA C 23 55.500 56.719 -1.219 1
3 190 . 6 1 1 A 23 23 GLU CB C 23 32.400 30.726 1.674 1
3 192 . 6 1 1 A 24 24 LEU HA H 24 4.690 5.115 -0.425 1
3 202 . 6 1 1 A 24 24 LEU CA C 24 53.100 53.753 -0.653 1
3 203 . 6 1 1 A 24 24 LEU CB C 24 46.500 44.449 2.051 1
3 207 . 6 1 1 A 25 25 ASP HA H 25 5.170 4.920 0.250 1
3 210 . 6 1 1 A 25 25 ASP CA C 25 54.100 53.864 0.236 1
3 211 . 6 1 1 A 25 25 ASP CB C 25 42.300 41.377 0.923 1
3 212 . 6 1 1 A 26 26 ILE HA H 26 5.130 5.252 -0.122 1
3 222 . 6 1 1 A 26 26 ILE CA C 26 59.600 58.884 0.716 1
3 223 . 6 1 1 A 26 26 ILE CB C 26 42.400 42.103 0.297 1
3 227 . 6 1 1 A 27 27 LYS HA H 27 5.100 4.805 0.295 1
3 236 . 6 1 1 A 27 27 LYS CA C 27 52.800 55.162 -2.362 1
3 237 . 6 1 1 A 27 27 LYS CB C 27 35.400 36.564 -1.164 1
3 241 . 6 1 1 A 28 28 LYS HA H 28 3.120 3.965 -0.845 1
3 250 . 6 1 1 A 28 28 LYS CA C 28 59.100 58.133 0.967 1
3 251 . 6 1 1 A 28 28 LYS CB C 28 32.500 32.228 0.272 1
3 255 . 6 1 1 A 29 29 ASN HA H 29 4.180 4.235 -0.055 1
3 258 . 6 1 1 A 29 29 ASN CA C 29 55.800 54.255 1.545 1
3 259 . 6 1 1 A 29 29 ASN CB C 29 37.300 37.216 0.084 1
3 260 . 6 1 1 A 30 30 GLU HA H 30 4.170 4.908 -0.738 1
3 265 . 6 1 1 A 30 30 GLU CA C 30 57.600 55.025 2.575 1
3 266 . 6 1 1 A 30 30 GLU CB C 30 31.700 32.480 -0.780 1
3 268 . 6 1 1 A 31 31 ARG HA H 31 4.580 4.562 0.018 1
3 275 . 6 1 1 A 31 31 ARG CA C 31 56.200 56.224 -0.024 1
3 276 . 6 1 1 A 31 31 ARG CB C 31 30.800 30.835 -0.035 1
3 279 . 6 1 1 A 32 32 LEU HA H 32 4.860 4.731 0.129 1
3 289 . 6 1 1 A 32 32 LEU CA C 32 53.200 52.903 0.297 1
3 290 . 6 1 1 A 32 32 LEU CB C 32 46.300 45.084 1.216 1
3 294 . 6 1 1 A 33 33 TRP HA H 33 5.100 5.355 -0.255 1
3 297 . 6 1 1 A 33 33 TRP CA C 33 58.300 56.418 1.882 1
3 298 . 6 1 1 A 33 33 TRP CB C 33 31.000 31.061 -0.061 1
3 299 . 6 1 1 A 34 34 LEU HA H 34 4.340 4.484 -0.144 1
3 309 . 6 1 1 A 34 34 LEU CA C 34 55.500 55.285 0.215 1
3 310 . 6 1 1 A 34 34 LEU CB C 34 43.700 42.543 1.157 1
3 314 . 6 1 1 A 35 35 LEU HA H 35 4.620 4.343 0.277 1
3 324 . 6 1 1 A 35 35 LEU CA C 35 55.400 56.251 -0.851 1
3 325 . 6 1 1 A 35 35 LEU CB C 35 42.700 42.427 0.273 1
3 329 . 6 1 1 A 36 36 ASP HA H 36 4.760 4.992 -0.232 1
3 332 . 6 1 1 A 36 36 ASP CA C 36 55.300 52.737 2.563 1
3 333 . 6 1 1 A 36 36 ASP CB C 36 43.400 42.696 0.704 1
3 334 . 6 1 1 A 37 37 ASP HA H 37 3.940 4.734 -0.794 1
3 337 . 6 1 1 A 37 37 ASP CA C 37 51.900 52.405 -0.505 1
3 338 . 6 1 1 A 37 37 ASP CB C 37 40.000 39.482 0.518 1
3 339 . 6 1 1 A 38 38 SER HA H 38 4.210 4.516 -0.306 1
3 342 . 6 1 1 A 38 38 SER CA C 38 61.400 61.115 0.285 1
3 343 . 6 1 1 A 38 38 SER CB C 38 63.900 63.799 0.101 1
3 344 . 6 1 1 A 39 39 LYS HA H 39 4.910 4.467 0.443 1
3 353 . 6 1 1 A 39 39 LYS CA C 39 55.000 56.038 -1.038 1
3 354 . 6 1 1 A 39 39 LYS CB C 39 34.200 33.391 0.809 1
3 358 . 6 1 1 A 40 40 SER HA H 40 4.310 4.185 0.125 1
3 361 . 6 1 1 A 40 40 SER CA C 40 60.700 62.730 -2.030 1
3 362 . 6 1 1 A 40 40 SER CB C 40 63.100 63.044 0.056 1
3 363 . 6 1 1 A 41 41 TRP HA H 41 4.860 4.845 0.015 1
3 366 . 6 1 1 A 41 41 TRP CA C 41 56.600 56.774 -0.174 1
3 367 . 6 1 1 A 41 41 TRP CB C 41 29.500 29.892 -0.392 1
3 368 . 6 1 1 A 42 42 TRP HA H 42 5.450 5.124 0.326 1
3 371 . 6 1 1 A 42 42 TRP CA C 42 54.200 57.454 -3.254 1
3 372 . 6 1 1 A 42 42 TRP CB C 42 30.900 29.297 1.603 1
3 373 . 6 1 1 A 43 43 ARG HA H 43 4.550 4.608 -0.058 1
3 380 . 6 1 1 A 43 43 ARG CA C 43 55.400 56.096 -0.696 1
3 381 . 6 1 1 A 43 43 ARG CB C 43 32.200 30.304 1.896 1
3 384 . 6 1 1 A 44 44 VAL HA H 44 5.520 5.178 0.342 1
3 392 . 6 1 1 A 44 44 VAL CA C 44 58.800 58.770 0.030 1
3 393 . 6 1 1 A 44 44 VAL CB C 44 36.500 36.229 0.271 1
3 396 . 6 1 1 A 45 45 ARG HA H 45 5.530 5.331 0.199 1
3 403 . 6 1 1 A 45 45 ARG CA C 45 53.600 53.948 -0.348 1
3 404 . 6 1 1 A 45 45 ARG CB C 45 35.400 34.036 1.364 1
3 407 . 6 1 1 A 46 46 ASN HA H 46 5.490 5.300 0.190 1
3 410 . 6 1 1 A 46 46 ASN CA C 46 50.600 51.269 -0.669 1
3 411 . 6 1 1 A 46 46 ASN CB C 46 40.900 41.589 -0.689 1
3 412 . 6 1 1 A 47 47 SER HA H 47 4.320 4.451 -0.131 1
3 415 . 6 1 1 A 47 47 SER CA C 47 61.500 61.457 0.043 1
3 416 . 6 1 1 A 47 47 SER CB C 47 63.000 62.887 0.113 1
3 417 . 6 1 1 A 48 48 MET HA H 48 4.730 4.581 0.149 1
3 425 . 6 1 1 A 48 48 MET CA C 48 54.400 55.767 -1.367 1
3 426 . 6 1 1 A 48 48 MET CB C 48 31.700 33.312 -1.612 1
3 429 . 6 1 1 A 49 49 ASN HA H 49 4.200 4.466 -0.266 1
3 432 . 6 1 1 A 49 49 ASN CA C 49 54.800 54.351 0.449 1
3 433 . 6 1 1 A 49 49 ASN CB C 49 37.000 36.536 0.464 1
3 434 . 6 1 1 A 50 50 LYS HA H 50 4.560 4.296 0.264 1
3 443 . 6 1 1 A 50 50 LYS CA C 50 55.600 56.581 -0.981 1
3 444 . 6 1 1 A 50 50 LYS CB C 50 33.300 33.708 -0.408 1
3 448 . 6 1 1 A 51 51 THR HA H 51 5.740 5.241 0.499 1
3 453 . 6 1 1 A 51 51 THR CA C 51 59.200 60.235 -1.035 1
3 454 . 6 1 1 A 51 51 THR CB C 51 71.700 72.711 -1.011 1
3 456 . 6 1 1 A 52 52 GLY HA2 H 52 4.090 4.221 -0.131 1
3 457 . 6 1 1 A 52 52 GLY HA3 H 52 3.920 4.279 -0.359 1
3 458 . 6 1 1 A 52 52 GLY CA C 52 45.600 45.532 0.068 1
3 459 . 6 1 1 A 53 53 PHE HA H 53 5.870 5.242 0.628 1
3 462 . 6 1 1 A 53 53 PHE CA C 53 57.900 57.957 -0.057 1
3 463 . 6 1 1 A 53 53 PHE CB C 53 42.800 40.824 1.976 1
3 464 . 6 1 1 A 54 54 VAL HA H 54 4.790 5.159 -0.369 1
3 472 . 6 1 1 A 54 54 VAL CA C 54 57.500 58.340 -0.840 1
3 473 . 6 1 1 A 54 54 VAL CB C 54 33.300 34.688 -1.388 1
3 476 . 6 1 1 A 55 55 PRO HA H 55 3.230 4.374 -1.144 1
3 483 . 6 1 1 A 55 55 PRO CA C 55 62.300 62.267 0.033 1
3 484 . 6 1 1 A 55 55 PRO CB C 55 30.400 33.062 -2.662 1
3 487 . 6 1 1 A 57 57 ASN HA H 57 4.480 4.555 -0.075 1
3 490 . 6 1 1 A 57 57 ASN CA C 57 53.700 53.793 -0.093 1
3 491 . 6 1 1 A 57 57 ASN CB C 57 36.600 39.399 -2.799 1
3 492 . 6 1 1 A 58 58 TYR HA H 58 4.460 4.634 -0.174 1
3 495 . 6 1 1 A 58 58 TYR CA C 58 59.000 59.065 -0.065 1
3 496 . 6 1 1 A 58 58 TYR CB C 58 38.100 40.405 -2.305 1
3 497 . 6 1 1 A 59 59 VAL HA H 59 5.090 4.929 0.161 1
3 505 . 6 1 1 A 59 59 VAL CA C 59 58.600 59.723 -1.123 1
3 506 . 6 1 1 A 59 59 VAL CB C 59 35.500 34.466 1.034 1
3 509 . 6 1 1 A 60 60 GLU HA H 60 4.790 4.870 -0.080 1
3 514 . 6 1 1 A 60 60 GLU CA C 60 54.300 55.594 -1.294 1
3 515 . 6 1 1 A 60 60 GLU CB C 60 33.300 33.720 -0.420 1
3 517 . 6 1 1 A 61 61 ARG HA H 61 4.540 4.583 -0.043 1
3 524 . 6 1 1 A 61 61 ARG CA C 61 56.500 57.546 -1.046 1
3 525 . 6 1 1 A 61 61 ARG CB C 61 31.200 30.578 0.622 1
3 528 . 6 1 1 A 62 62 LYS HA H 62 4.380 4.133 0.247 1
3 537 . 6 1 1 A 62 62 LYS CA C 62 55.900 56.441 -0.541 1
3 538 . 6 1 1 A 62 62 LYS CB C 62 33.200 33.523 -0.323 1
3 542 . 6 1 1 A 63 63 ASN HA H 63 4.740 4.417 0.323 1
3 545 . 6 1 1 A 63 63 ASN CA C 63 53.200 55.826 -2.626 1
3 546 . 6 1 1 A 63 63 ASN CB C 63 39.000 38.286 0.714 1
3 547 . 6 1 1 A 64 64 SER HA H 64 4.430 4.554 -0.124 1
3 550 . 6 1 1 A 64 64 SER CA C 64 58.400 57.186 1.214 1
3 551 . 6 1 1 A 64 64 SER CB C 64 63.900 64.506 -0.606 1
3 552 . 6 1 1 A 65 65 ALA HA H 65 4.330 4.806 -0.476 1
3 556 . 6 1 1 A 65 65 ALA CA C 65 52.700 50.582 2.118 1
3 557 . 6 1 1 A 65 65 ALA CB C 65 19.300 20.591 -1.291 1
3 558 . 6 1 1 A 66 66 ARG HA H 66 4.300 4.041 0.259 1
3 565 . 6 1 1 A 66 66 ARG CA C 66 56.000 57.001 -1.001 1
3 566 . 6 1 1 A 66 66 ARG CB C 66 30.900 29.139 1.761 1
3 569 . 6 1 1 A 67 67 ALA HA H 67 4.300 3.976 0.324 1
3 573 . 6 1 1 A 67 67 ALA CA C 67 52.400 54.446 -2.046 1
3 574 . 6 1 1 A 67 67 ALA CB C 67 19.200 18.494 0.706 1
3 575 . 6 1 1 A 69 69 ALA HA H 69 4.300 3.945 0.355 1
3 579 . 6 1 1 A 69 69 ALA CA C 69 52.400 55.183 -2.783 1
3 580 . 6 1 1 A 70 70 ASN HA H 70 4.750 4.489 0.261 1
3 583 . 6 1 1 A 70 70 ASN CA C 70 53.300 56.636 -3.336 1
3 584 . 6 1 1 A 70 70 ASN CB C 70 39.000 38.302 0.698 1
3 585 . 6 1 1 A 71 71 SER HA H 71 4.520 4.288 0.232 1
3 588 . 6 1 1 A 71 71 SER CA C 71 58.300 59.910 -1.610 1
3 589 . 6 1 1 A 71 71 SER CB C 71 64.000 63.488 0.512 1
3 4 . 7 1 1 A 2 2 SER HA H 2 4.610 4.695 -0.085 1
3 7 . 7 1 1 A 2 2 SER CA C 2 58.200 58.270 -0.070 1
3 8 . 7 1 1 A 2 2 SER CB C 2 63.900 63.032 0.868 1
3 9 . 7 1 1 A 3 3 THR HA H 3 4.380 4.175 0.205 1
3 14 . 7 1 1 A 3 3 THR CA C 3 61.900 64.380 -2.480 1
3 15 . 7 1 1 A 3 3 THR CB C 3 69.700 69.046 0.654 1
3 17 . 7 1 1 A 4 4 MET HA H 4 4.460 4.524 -0.064 1
3 25 . 7 1 1 A 4 4 MET CA C 4 55.400 55.195 0.205 1
3 26 . 7 1 1 A 4 4 MET CB C 4 32.900 33.053 -0.153 1
3 29 . 7 1 1 A 5 5 ALA HA H 5 4.300 4.273 0.027 1
3 33 . 7 1 1 A 5 5 ALA CA C 5 52.600 51.897 0.703 1
3 34 . 7 1 1 A 5 5 ALA CB C 5 19.300 20.062 -0.762 1
3 35 . 7 1 1 A 6 6 GLU HA H 6 4.300 4.485 -0.185 1
3 40 . 7 1 1 A 6 6 GLU CA C 6 56.100 55.735 0.365 1
3 41 . 7 1 1 A 6 6 GLU CB C 6 30.700 30.027 0.673 1
3 43 . 7 1 1 A 7 7 GLU HA H 7 4.440 4.495 -0.055 1
3 48 . 7 1 1 A 7 7 GLU CA C 7 56.400 56.603 -0.203 1
3 49 . 7 1 1 A 7 7 GLU CB C 7 30.700 31.155 -0.455 1
3 51 . 7 1 1 A 8 8 VAL HA H 8 4.210 4.751 -0.541 1
3 59 . 7 1 1 A 8 8 VAL CA C 8 62.200 60.744 1.456 1
3 60 . 7 1 1 A 8 8 VAL CB C 8 33.300 35.888 -2.588 1
3 63 . 7 1 1 A 9 9 VAL HA H 9 4.430 4.954 -0.524 1
3 71 . 7 1 1 A 9 9 VAL CA C 9 61.600 59.389 2.211 1
3 72 . 7 1 1 A 9 9 VAL CB C 9 32.900 34.714 -1.814 1
3 75 . 7 1 1 A 10 10 VAL HA H 10 4.990 5.328 -0.338 1
3 83 . 7 1 1 A 10 10 VAL CA C 10 58.200 59.364 -1.164 1
3 84 . 7 1 1 A 10 10 VAL CB C 10 35.100 34.903 0.197 1
3 87 . 7 1 1 A 11 11 VAL HA H 11 5.010 4.844 0.166 1
3 95 . 7 1 1 A 11 11 VAL CA C 11 59.500 59.523 -0.023 1
3 96 . 7 1 1 A 11 11 VAL CB C 11 35.100 34.430 0.670 1
3 99 . 7 1 1 A 12 12 ALA HA H 12 4.570 4.927 -0.357 1
3 103 . 7 1 1 A 12 12 ALA CA C 12 52.700 51.040 1.660 1
3 104 . 7 1 1 A 12 12 ALA CB C 12 19.900 20.025 -0.125 1
3 105 . 7 1 1 A 13 13 LYS HA H 13 3.850 4.154 -0.304 1
3 114 . 7 1 1 A 13 13 LYS CA C 13 57.200 56.891 0.309 1
3 115 . 7 1 1 A 13 13 LYS CB C 13 33.800 33.000 0.800 1
3 119 . 7 1 1 A 14 14 PHE HA H 14 4.820 5.097 -0.277 1
3 122 . 7 1 1 A 14 14 PHE CA C 14 53.600 56.686 -3.086 1
3 123 . 7 1 1 A 14 14 PHE CB C 14 43.600 44.056 -0.456 1
3 124 . 7 1 1 A 15 15 ASP HA H 15 4.810 5.768 -0.958 1
3 127 . 7 1 1 A 15 15 ASP CA C 15 54.500 52.852 1.648 1
3 128 . 7 1 1 A 15 15 ASP CB C 15 41.700 43.523 -1.823 1
3 129 . 7 1 1 A 16 16 TYR HA H 16 4.770 5.176 -0.406 1
3 132 . 7 1 1 A 16 16 TYR CA C 16 59.300 56.904 2.396 1
3 133 . 7 1 1 A 16 16 TYR CB C 16 41.600 42.203 -0.603 1
3 134 . 7 1 1 A 17 17 VAL HA H 17 4.160 4.208 -0.048 1
3 142 . 7 1 1 A 17 17 VAL CA C 17 60.500 60.808 -0.308 1
3 143 . 7 1 1 A 17 17 VAL CB C 17 32.200 32.806 -0.606 1
3 146 . 7 1 1 A 18 18 ALA HA H 18 4.240 4.716 -0.476 1
3 150 . 7 1 1 A 18 18 ALA CA C 18 53.200 52.237 0.963 1
3 151 . 7 1 1 A 18 18 ALA CB C 18 19.900 19.255 0.645 1
3 152 . 7 1 1 A 19 19 GLN HA H 19 4.310 3.924 0.386 1
3 157 . 7 1 1 A 19 19 GLN CA C 19 55.100 60.087 -4.987 1
3 158 . 7 1 1 A 19 19 GLN CB C 19 31.100 29.014 2.086 1
3 160 . 7 1 1 A 20 20 GLN HA H 20 4.590 4.377 0.213 1
3 165 . 7 1 1 A 20 20 GLN CA C 20 53.900 55.271 -1.371 1
3 166 . 7 1 1 A 20 20 GLN CB C 20 32.400 29.798 2.602 1
3 168 . 7 1 1 A 21 21 GLU HA H 21 4.100 4.083 0.017 1
3 173 . 7 1 1 A 21 21 GLU CA C 21 59.500 58.634 0.866 1
3 174 . 7 1 1 A 21 21 GLU CB C 21 29.700 29.176 0.524 1
3 176 . 7 1 1 A 22 22 GLN HA H 22 4.550 4.133 0.417 1
3 181 . 7 1 1 A 22 22 GLN CA C 22 56.600 58.544 -1.944 1
3 182 . 7 1 1 A 22 22 GLN CB C 22 28.000 28.933 -0.933 1
3 184 . 7 1 1 A 23 23 GLU HA H 23 5.340 4.551 0.789 1
3 189 . 7 1 1 A 23 23 GLU CA C 23 55.500 57.204 -1.704 1
3 190 . 7 1 1 A 23 23 GLU CB C 23 32.400 30.732 1.668 1
3 192 . 7 1 1 A 24 24 LEU HA H 24 4.690 5.145 -0.455 1
3 202 . 7 1 1 A 24 24 LEU CA C 24 53.100 53.737 -0.637 1
3 203 . 7 1 1 A 24 24 LEU CB C 24 46.500 44.311 2.189 1
3 207 . 7 1 1 A 25 25 ASP HA H 25 5.170 4.847 0.323 1
3 210 . 7 1 1 A 25 25 ASP CA C 25 54.100 54.105 -0.005 1
3 211 . 7 1 1 A 25 25 ASP CB C 25 42.300 41.311 0.989 1
3 212 . 7 1 1 A 26 26 ILE HA H 26 5.130 5.353 -0.223 1
3 222 . 7 1 1 A 26 26 ILE CA C 26 59.600 58.737 0.863 1
3 223 . 7 1 1 A 26 26 ILE CB C 26 42.400 42.486 -0.086 1
3 227 . 7 1 1 A 27 27 LYS HA H 27 5.100 4.828 0.272 1
3 236 . 7 1 1 A 27 27 LYS CA C 27 52.800 55.145 -2.345 1
3 237 . 7 1 1 A 27 27 LYS CB C 27 35.400 36.564 -1.164 1
3 241 . 7 1 1 A 28 28 LYS HA H 28 3.120 3.973 -0.853 1
3 250 . 7 1 1 A 28 28 LYS CA C 28 59.100 58.128 0.972 1
3 251 . 7 1 1 A 28 28 LYS CB C 28 32.500 32.242 0.258 1
3 255 . 7 1 1 A 29 29 ASN HA H 29 4.180 4.156 0.024 1
3 258 . 7 1 1 A 29 29 ASN CA C 29 55.800 54.259 1.541 1
3 259 . 7 1 1 A 29 29 ASN CB C 29 37.300 37.339 -0.039 1
3 260 . 7 1 1 A 30 30 GLU HA H 30 4.170 4.897 -0.727 1
3 265 . 7 1 1 A 30 30 GLU CA C 30 57.600 54.949 2.651 1
3 266 . 7 1 1 A 30 30 GLU CB C 30 31.700 32.525 -0.825 1
3 268 . 7 1 1 A 31 31 ARG HA H 31 4.580 4.640 -0.060 1
3 275 . 7 1 1 A 31 31 ARG CA C 31 56.200 55.869 0.331 1
3 276 . 7 1 1 A 31 31 ARG CB C 31 30.800 30.803 -0.003 1
3 279 . 7 1 1 A 32 32 LEU HA H 32 4.860 4.566 0.294 1
3 289 . 7 1 1 A 32 32 LEU CA C 32 53.200 53.165 0.035 1
3 290 . 7 1 1 A 32 32 LEU CB C 32 46.300 45.639 0.661 1
3 294 . 7 1 1 A 33 33 TRP HA H 33 5.100 5.307 -0.207 1
3 297 . 7 1 1 A 33 33 TRP CA C 33 58.300 56.345 1.955 1
3 298 . 7 1 1 A 33 33 TRP CB C 33 31.000 31.149 -0.149 1
3 299 . 7 1 1 A 34 34 LEU HA H 34 4.340 4.453 -0.113 1
3 309 . 7 1 1 A 34 34 LEU CA C 34 55.500 55.472 0.028 1
3 310 . 7 1 1 A 34 34 LEU CB C 34 43.700 42.573 1.127 1
3 314 . 7 1 1 A 35 35 LEU HA H 35 4.620 4.349 0.271 1
3 324 . 7 1 1 A 35 35 LEU CA C 35 55.400 56.226 -0.826 1
3 325 . 7 1 1 A 35 35 LEU CB C 35 42.700 42.513 0.187 1
3 329 . 7 1 1 A 36 36 ASP HA H 36 4.760 4.832 -0.072 1
3 332 . 7 1 1 A 36 36 ASP CA C 36 55.300 52.806 2.494 1
3 333 . 7 1 1 A 36 36 ASP CB C 36 43.400 42.498 0.902 1
3 334 . 7 1 1 A 37 37 ASP HA H 37 3.940 4.649 -0.709 1
3 337 . 7 1 1 A 37 37 ASP CA C 37 51.900 52.589 -0.689 1
3 338 . 7 1 1 A 37 37 ASP CB C 37 40.000 39.475 0.525 1
3 339 . 7 1 1 A 38 38 SER HA H 38 4.210 4.613 -0.403 1
3 342 . 7 1 1 A 38 38 SER CA C 38 61.400 60.313 1.087 1
3 343 . 7 1 1 A 38 38 SER CB C 38 63.900 64.489 -0.589 1
3 344 . 7 1 1 A 39 39 LYS HA H 39 4.910 4.466 0.444 1
3 353 . 7 1 1 A 39 39 LYS CA C 39 55.000 56.016 -1.016 1
3 354 . 7 1 1 A 39 39 LYS CB C 39 34.200 33.393 0.807 1
3 358 . 7 1 1 A 40 40 SER HA H 40 4.310 4.210 0.100 1
3 361 . 7 1 1 A 40 40 SER CA C 40 60.700 61.865 -1.165 1
3 362 . 7 1 1 A 40 40 SER CB C 40 63.100 63.247 -0.147 1
3 363 . 7 1 1 A 41 41 TRP HA H 41 4.860 4.875 -0.015 1
3 366 . 7 1 1 A 41 41 TRP CA C 41 56.600 56.898 -0.298 1
3 367 . 7 1 1 A 41 41 TRP CB C 41 29.500 29.679 -0.179 1
3 368 . 7 1 1 A 42 42 TRP HA H 42 5.450 5.124 0.326 1
3 371 . 7 1 1 A 42 42 TRP CA C 42 54.200 57.587 -3.387 1
3 372 . 7 1 1 A 42 42 TRP CB C 42 30.900 29.455 1.445 1
3 373 . 7 1 1 A 43 43 ARG HA H 43 4.550 4.555 -0.005 1
3 380 . 7 1 1 A 43 43 ARG CA C 43 55.400 56.092 -0.692 1
3 381 . 7 1 1 A 43 43 ARG CB C 43 32.200 30.372 1.828 1
3 384 . 7 1 1 A 44 44 VAL HA H 44 5.520 5.149 0.371 1
3 392 . 7 1 1 A 44 44 VAL CA C 44 58.800 58.691 0.109 1
3 393 . 7 1 1 A 44 44 VAL CB C 44 36.500 36.244 0.256 1
3 396 . 7 1 1 A 45 45 ARG HA H 45 5.530 5.332 0.198 1
3 403 . 7 1 1 A 45 45 ARG CA C 45 53.600 53.813 -0.213 1
3 404 . 7 1 1 A 45 45 ARG CB C 45 35.400 33.971 1.429 1
3 407 . 7 1 1 A 46 46 ASN HA H 46 5.490 5.388 0.102 1
3 410 . 7 1 1 A 46 46 ASN CA C 46 50.600 51.386 -0.786 1
3 411 . 7 1 1 A 46 46 ASN CB C 46 40.900 41.641 -0.741 1
3 412 . 7 1 1 A 47 47 SER HA H 47 4.320 4.387 -0.067 1
3 415 . 7 1 1 A 47 47 SER CA C 47 61.500 61.565 -0.065 1
3 416 . 7 1 1 A 47 47 SER CB C 47 63.000 63.036 -0.036 1
3 417 . 7 1 1 A 48 48 MET HA H 48 4.730 4.572 0.158 1
3 425 . 7 1 1 A 48 48 MET CA C 48 54.400 55.757 -1.357 1
3 426 . 7 1 1 A 48 48 MET CB C 48 31.700 33.309 -1.609 1
3 429 . 7 1 1 A 49 49 ASN HA H 49 4.200 4.453 -0.253 1
3 432 . 7 1 1 A 49 49 ASN CA C 49 54.800 54.341 0.459 1
3 433 . 7 1 1 A 49 49 ASN CB C 49 37.000 36.531 0.469 1
3 434 . 7 1 1 A 50 50 LYS HA H 50 4.560 4.293 0.267 1
3 443 . 7 1 1 A 50 50 LYS CA C 50 55.600 56.582 -0.982 1
3 444 . 7 1 1 A 50 50 LYS CB C 50 33.300 33.759 -0.459 1
3 448 . 7 1 1 A 51 51 THR HA H 51 5.740 5.225 0.515 1
3 453 . 7 1 1 A 51 51 THR CA C 51 59.200 60.123 -0.923 1
3 454 . 7 1 1 A 51 51 THR CB C 51 71.700 72.108 -0.408 1
3 456 . 7 1 1 A 52 52 GLY HA2 H 52 4.090 4.279 -0.189 1
3 457 . 7 1 1 A 52 52 GLY HA3 H 52 3.920 4.332 -0.412 1
3 458 . 7 1 1 A 52 52 GLY CA C 52 45.600 45.443 0.157 1
3 459 . 7 1 1 A 53 53 PHE HA H 53 5.870 5.337 0.533 1
3 462 . 7 1 1 A 53 53 PHE CA C 53 57.900 57.823 0.077 1
3 463 . 7 1 1 A 53 53 PHE CB C 53 42.800 40.815 1.985 1
3 464 . 7 1 1 A 54 54 VAL HA H 54 4.790 5.146 -0.356 1
3 472 . 7 1 1 A 54 54 VAL CA C 54 57.500 58.330 -0.830 1
3 473 . 7 1 1 A 54 54 VAL CB C 54 33.300 34.756 -1.456 1
3 476 . 7 1 1 A 55 55 PRO HA H 55 3.230 4.400 -1.170 1
3 483 . 7 1 1 A 55 55 PRO CA C 55 62.300 62.224 0.076 1
3 484 . 7 1 1 A 55 55 PRO CB C 55 30.400 33.111 -2.711 1
3 487 . 7 1 1 A 57 57 ASN HA H 57 4.480 4.624 -0.144 1
3 490 . 7 1 1 A 57 57 ASN CA C 57 53.700 54.535 -0.835 1
3 491 . 7 1 1 A 57 57 ASN CB C 57 36.600 38.625 -2.025 1
3 492 . 7 1 1 A 58 58 TYR HA H 58 4.460 4.685 -0.225 1
3 495 . 7 1 1 A 58 58 TYR CA C 58 59.000 58.840 0.160 1
3 496 . 7 1 1 A 58 58 TYR CB C 58 38.100 40.214 -2.114 1
3 497 . 7 1 1 A 59 59 VAL HA H 59 5.090 5.058 0.032 1
3 505 . 7 1 1 A 59 59 VAL CA C 59 58.600 59.688 -1.088 1
3 506 . 7 1 1 A 59 59 VAL CB C 59 35.500 34.547 0.953 1
3 509 . 7 1 1 A 60 60 GLU HA H 60 4.790 4.709 0.081 1
3 514 . 7 1 1 A 60 60 GLU CA C 60 54.300 55.770 -1.470 1
3 515 . 7 1 1 A 60 60 GLU CB C 60 33.300 33.437 -0.137 1
3 517 . 7 1 1 A 61 61 ARG HA H 61 4.540 4.413 0.127 1
3 524 . 7 1 1 A 61 61 ARG CA C 61 56.500 56.284 0.216 1
3 525 . 7 1 1 A 61 61 ARG CB C 61 31.200 30.532 0.668 1
3 528 . 7 1 1 A 62 62 LYS HA H 62 4.380 4.147 0.233 1
3 537 . 7 1 1 A 62 62 LYS CA C 62 55.900 57.185 -1.285 1
3 538 . 7 1 1 A 62 62 LYS CB C 62 33.200 32.860 0.340 1
3 542 . 7 1 1 A 63 63 ASN HA H 63 4.740 4.758 -0.018 1
3 545 . 7 1 1 A 63 63 ASN CA C 63 53.200 53.038 0.162 1
3 546 . 7 1 1 A 63 63 ASN CB C 63 39.000 39.228 -0.228 1
3 547 . 7 1 1 A 64 64 SER HA H 64 4.430 4.451 -0.021 1
3 550 . 7 1 1 A 64 64 SER CA C 64 58.400 57.653 0.747 1
3 551 . 7 1 1 A 64 64 SER CB C 64 63.900 62.207 1.693 1
3 552 . 7 1 1 A 65 65 ALA HA H 65 4.330 4.852 -0.522 1
3 556 . 7 1 1 A 65 65 ALA CA C 65 52.700 50.627 2.073 1
3 557 . 7 1 1 A 65 65 ALA CB C 65 19.300 19.897 -0.597 1
3 558 . 7 1 1 A 66 66 ARG HA H 66 4.300 4.283 0.017 1
3 565 . 7 1 1 A 66 66 ARG CA C 66 56.000 56.986 -0.986 1
3 566 . 7 1 1 A 66 66 ARG CB C 66 30.900 30.472 0.428 1
3 569 . 7 1 1 A 67 67 ALA HA H 67 4.300 4.058 0.242 1
3 573 . 7 1 1 A 67 67 ALA CA C 67 52.400 55.173 -2.773 1
3 574 . 7 1 1 A 67 67 ALA CB C 67 19.200 18.161 1.039 1
3 575 . 7 1 1 A 69 69 ALA HA H 69 4.300 4.196 0.104 1
3 579 . 7 1 1 A 69 69 ALA CA C 69 52.400 52.213 0.187 1
3 580 . 7 1 1 A 70 70 ASN HA H 70 4.750 5.175 -0.425 1
3 583 . 7 1 1 A 70 70 ASN CA C 70 53.300 52.354 0.946 1
3 584 . 7 1 1 A 70 70 ASN CB C 70 39.000 39.552 -0.552 1
3 585 . 7 1 1 A 71 71 SER HA H 71 4.520 4.467 0.053 1
3 588 . 7 1 1 A 71 71 SER CA C 71 58.300 59.982 -1.682 1
3 589 . 7 1 1 A 71 71 SER CB C 71 64.000 63.139 0.861 1
3 4 . 8 1 1 A 2 2 SER HA H 2 4.610 4.650 -0.040 1
3 7 . 8 1 1 A 2 2 SER CA C 2 58.200 59.432 -1.232 1
3 8 . 8 1 1 A 2 2 SER CB C 2 63.900 66.000 -2.100 1
3 9 . 8 1 1 A 3 3 THR HA H 3 4.380 4.617 -0.237 1
3 14 . 8 1 1 A 3 3 THR CA C 3 61.900 63.872 -1.972 1
3 15 . 8 1 1 A 3 3 THR CB C 3 69.700 69.592 0.108 1
3 17 . 8 1 1 A 4 4 MET HA H 4 4.460 5.137 -0.677 1
3 25 . 8 1 1 A 4 4 MET CA C 4 55.400 54.322 1.078 1
3 26 . 8 1 1 A 4 4 MET CB C 4 32.900 37.182 -4.282 1
3 29 . 8 1 1 A 5 5 ALA HA H 5 4.300 4.757 -0.457 1
3 33 . 8 1 1 A 5 5 ALA CA C 5 52.600 51.161 1.439 1
3 34 . 8 1 1 A 5 5 ALA CB C 5 19.300 19.887 -0.587 1
3 35 . 8 1 1 A 6 6 GLU HA H 6 4.300 4.121 0.179 1
3 40 . 8 1 1 A 6 6 GLU CA C 6 56.100 57.190 -1.090 1
3 41 . 8 1 1 A 6 6 GLU CB C 6 30.700 29.746 0.954 1
3 43 . 8 1 1 A 7 7 GLU HA H 7 4.440 5.043 -0.603 1
3 48 . 8 1 1 A 7 7 GLU CA C 7 56.400 54.638 1.762 1
3 49 . 8 1 1 A 7 7 GLU CB C 7 30.700 34.195 -3.495 1
3 51 . 8 1 1 A 8 8 VAL HA H 8 4.210 4.840 -0.630 1
3 59 . 8 1 1 A 8 8 VAL CA C 8 62.200 60.617 1.583 1
3 60 . 8 1 1 A 8 8 VAL CB C 8 33.300 35.599 -2.299 1
3 63 . 8 1 1 A 9 9 VAL HA H 9 4.430 4.968 -0.538 1
3 71 . 8 1 1 A 9 9 VAL CA C 9 61.600 59.356 2.244 1
3 72 . 8 1 1 A 9 9 VAL CB C 9 32.900 34.743 -1.843 1
3 75 . 8 1 1 A 10 10 VAL HA H 10 4.990 5.201 -0.211 1
3 83 . 8 1 1 A 10 10 VAL CA C 10 58.200 59.312 -1.112 1
3 84 . 8 1 1 A 10 10 VAL CB C 10 35.100 35.471 -0.371 1
3 87 . 8 1 1 A 11 11 VAL HA H 11 5.010 4.943 0.067 1
3 95 . 8 1 1 A 11 11 VAL CA C 11 59.500 59.573 -0.073 1
3 96 . 8 1 1 A 11 11 VAL CB C 11 35.100 34.323 0.777 1
3 99 . 8 1 1 A 12 12 ALA HA H 12 4.570 5.082 -0.512 1
3 103 . 8 1 1 A 12 12 ALA CA C 12 52.700 51.077 1.623 1
3 104 . 8 1 1 A 12 12 ALA CB C 12 19.900 20.211 -0.311 1
3 105 . 8 1 1 A 13 13 LYS HA H 13 3.850 4.324 -0.474 1
3 114 . 8 1 1 A 13 13 LYS CA C 13 57.200 56.220 0.980 1
3 115 . 8 1 1 A 13 13 LYS CB C 13 33.800 33.312 0.488 1
3 119 . 8 1 1 A 14 14 PHE HA H 14 4.820 5.126 -0.306 1
3 122 . 8 1 1 A 14 14 PHE CA C 14 53.600 56.772 -3.172 1
3 123 . 8 1 1 A 14 14 PHE CB C 14 43.600 43.811 -0.211 1
3 124 . 8 1 1 A 15 15 ASP HA H 15 4.810 5.692 -0.882 1
3 127 . 8 1 1 A 15 15 ASP CA C 15 54.500 53.017 1.483 1
3 128 . 8 1 1 A 15 15 ASP CB C 15 41.700 42.929 -1.229 1
3 129 . 8 1 1 A 16 16 TYR HA H 16 4.770 5.190 -0.420 1
3 132 . 8 1 1 A 16 16 TYR CA C 16 59.300 56.850 2.450 1
3 133 . 8 1 1 A 16 16 TYR CB C 16 41.600 42.308 -0.708 1
3 134 . 8 1 1 A 17 17 VAL HA H 17 4.160 4.204 -0.044 1
3 142 . 8 1 1 A 17 17 VAL CA C 17 60.500 60.873 -0.373 1
3 143 . 8 1 1 A 17 17 VAL CB C 17 32.200 32.809 -0.609 1
3 146 . 8 1 1 A 18 18 ALA HA H 18 4.240 4.723 -0.483 1
3 150 . 8 1 1 A 18 18 ALA CA C 18 53.200 51.770 1.430 1
3 151 . 8 1 1 A 18 18 ALA CB C 18 19.900 18.624 1.276 1
3 152 . 8 1 1 A 19 19 GLN HA H 19 4.310 3.912 0.398 1
3 157 . 8 1 1 A 19 19 GLN CA C 19 55.100 59.762 -4.662 1
3 158 . 8 1 1 A 19 19 GLN CB C 19 31.100 28.949 2.151 1
3 160 . 8 1 1 A 20 20 GLN HA H 20 4.590 4.242 0.348 1
3 165 . 8 1 1 A 20 20 GLN CA C 20 53.900 55.996 -2.096 1
3 166 . 8 1 1 A 20 20 GLN CB C 20 32.400 30.049 2.351 1
3 168 . 8 1 1 A 21 21 GLU HA H 21 4.100 4.055 0.045 1
3 173 . 8 1 1 A 21 21 GLU CA C 21 59.500 58.596 0.904 1
3 174 . 8 1 1 A 21 21 GLU CB C 21 29.700 29.204 0.496 1
3 176 . 8 1 1 A 22 22 GLN HA H 22 4.550 4.116 0.434 1
3 181 . 8 1 1 A 22 22 GLN CA C 22 56.600 58.360 -1.760 1
3 182 . 8 1 1 A 22 22 GLN CB C 22 28.000 28.543 -0.543 1
3 184 . 8 1 1 A 23 23 GLU HA H 23 5.340 4.572 0.768 1
3 189 . 8 1 1 A 23 23 GLU CA C 23 55.500 56.591 -1.091 1
3 190 . 8 1 1 A 23 23 GLU CB C 23 32.400 30.975 1.425 1
3 192 . 8 1 1 A 24 24 LEU HA H 24 4.690 5.333 -0.643 1
3 202 . 8 1 1 A 24 24 LEU CA C 24 53.100 53.446 -0.346 1
3 203 . 8 1 1 A 24 24 LEU CB C 24 46.500 45.223 1.277 1
3 207 . 8 1 1 A 25 25 ASP HA H 25 5.170 5.086 0.084 1
3 210 . 8 1 1 A 25 25 ASP CA C 25 54.100 53.861 0.239 1
3 211 . 8 1 1 A 25 25 ASP CB C 25 42.300 41.475 0.825 1
3 212 . 8 1 1 A 26 26 ILE HA H 26 5.130 5.356 -0.226 1
3 222 . 8 1 1 A 26 26 ILE CA C 26 59.600 58.895 0.705 1
3 223 . 8 1 1 A 26 26 ILE CB C 26 42.400 41.945 0.455 1
3 227 . 8 1 1 A 27 27 LYS HA H 27 5.100 4.826 0.274 1
3 236 . 8 1 1 A 27 27 LYS CA C 27 52.800 55.117 -2.317 1
3 237 . 8 1 1 A 27 27 LYS CB C 27 35.400 36.749 -1.349 1
3 241 . 8 1 1 A 28 28 LYS HA H 28 3.120 3.983 -0.863 1
3 250 . 8 1 1 A 28 28 LYS CA C 28 59.100 58.329 0.771 1
3 251 . 8 1 1 A 28 28 LYS CB C 28 32.500 32.167 0.333 1
3 255 . 8 1 1 A 29 29 ASN HA H 29 4.180 4.306 -0.126 1
3 258 . 8 1 1 A 29 29 ASN CA C 29 55.800 54.504 1.296 1
3 259 . 8 1 1 A 29 29 ASN CB C 29 37.300 37.066 0.234 1
3 260 . 8 1 1 A 30 30 GLU HA H 30 4.170 4.815 -0.645 1
3 265 . 8 1 1 A 30 30 GLU CA C 30 57.600 55.178 2.422 1
3 266 . 8 1 1 A 30 30 GLU CB C 30 31.700 32.111 -0.411 1
3 268 . 8 1 1 A 31 31 ARG HA H 31 4.580 4.664 -0.084 1
3 275 . 8 1 1 A 31 31 ARG CA C 31 56.200 55.713 0.487 1
3 276 . 8 1 1 A 31 31 ARG CB C 31 30.800 31.055 -0.255 1
3 279 . 8 1 1 A 32 32 LEU HA H 32 4.860 4.881 -0.021 1
3 289 . 8 1 1 A 32 32 LEU CA C 32 53.200 53.132 0.068 1
3 290 . 8 1 1 A 32 32 LEU CB C 32 46.300 44.953 1.347 1
3 294 . 8 1 1 A 33 33 TRP HA H 33 5.100 5.162 -0.062 1
3 297 . 8 1 1 A 33 33 TRP CA C 33 58.300 56.621 1.679 1
3 298 . 8 1 1 A 33 33 TRP CB C 33 31.000 30.407 0.593 1
3 299 . 8 1 1 A 34 34 LEU HA H 34 4.340 4.357 -0.017 1
3 309 . 8 1 1 A 34 34 LEU CA C 34 55.500 55.694 -0.194 1
3 310 . 8 1 1 A 34 34 LEU CB C 34 43.700 42.260 1.440 1
3 314 . 8 1 1 A 35 35 LEU HA H 35 4.620 4.379 0.241 1
3 324 . 8 1 1 A 35 35 LEU CA C 35 55.400 55.978 -0.578 1
3 325 . 8 1 1 A 35 35 LEU CB C 35 42.700 42.764 -0.064 1
3 329 . 8 1 1 A 36 36 ASP HA H 36 4.760 4.984 -0.224 1
3 332 . 8 1 1 A 36 36 ASP CA C 36 55.300 53.669 1.631 1
3 333 . 8 1 1 A 36 36 ASP CB C 36 43.400 42.719 0.681 1
3 334 . 8 1 1 A 37 37 ASP HA H 37 3.940 4.728 -0.788 1
3 337 . 8 1 1 A 37 37 ASP CA C 37 51.900 52.409 -0.509 1
3 338 . 8 1 1 A 37 37 ASP CB C 37 40.000 39.493 0.507 1
3 339 . 8 1 1 A 38 38 SER HA H 38 4.210 4.585 -0.375 1
3 342 . 8 1 1 A 38 38 SER CA C 38 61.400 60.941 0.459 1
3 343 . 8 1 1 A 38 38 SER CB C 38 63.900 64.300 -0.400 1
3 344 . 8 1 1 A 39 39 LYS HA H 39 4.910 4.475 0.435 1
3 353 . 8 1 1 A 39 39 LYS CA C 39 55.000 56.011 -1.011 1
3 354 . 8 1 1 A 39 39 LYS CB C 39 34.200 33.412 0.788 1
3 358 . 8 1 1 A 40 40 SER HA H 40 4.310 4.170 0.140 1
3 361 . 8 1 1 A 40 40 SER CA C 40 60.700 62.530 -1.830 1
3 362 . 8 1 1 A 40 40 SER CB C 40 63.100 63.041 0.059 1
3 363 . 8 1 1 A 41 41 TRP HA H 41 4.860 5.068 -0.208 1
3 366 . 8 1 1 A 41 41 TRP CA C 41 56.600 56.335 0.265 1
3 367 . 8 1 1 A 41 41 TRP CB C 41 29.500 30.194 -0.694 1
3 368 . 8 1 1 A 42 42 TRP HA H 42 5.450 5.139 0.311 1
3 371 . 8 1 1 A 42 42 TRP CA C 42 54.200 57.456 -3.256 1
3 372 . 8 1 1 A 42 42 TRP CB C 42 30.900 29.336 1.564 1
3 373 . 8 1 1 A 43 43 ARG HA H 43 4.550 4.409 0.141 1
3 380 . 8 1 1 A 43 43 ARG CA C 43 55.400 55.983 -0.583 1
3 381 . 8 1 1 A 43 43 ARG CB C 43 32.200 30.206 1.994 1
3 384 . 8 1 1 A 44 44 VAL HA H 44 5.520 5.189 0.331 1
3 392 . 8 1 1 A 44 44 VAL CA C 44 58.800 58.688 0.112 1
3 393 . 8 1 1 A 44 44 VAL CB C 44 36.500 36.230 0.270 1
3 396 . 8 1 1 A 45 45 ARG HA H 45 5.530 5.310 0.220 1
3 403 . 8 1 1 A 45 45 ARG CA C 45 53.600 53.879 -0.279 1
3 404 . 8 1 1 A 45 45 ARG CB C 45 35.400 33.906 1.494 1
3 407 . 8 1 1 A 46 46 ASN HA H 46 5.490 5.368 0.122 1
3 410 . 8 1 1 A 46 46 ASN CA C 46 50.600 51.463 -0.863 1
3 411 . 8 1 1 A 46 46 ASN CB C 46 40.900 41.538 -0.638 1
3 412 . 8 1 1 A 47 47 SER HA H 47 4.320 4.456 -0.136 1
3 415 . 8 1 1 A 47 47 SER CA C 47 61.500 61.589 -0.089 1
3 416 . 8 1 1 A 47 47 SER CB C 47 63.000 62.944 0.056 1
3 417 . 8 1 1 A 48 48 MET HA H 48 4.730 4.590 0.140 1
3 425 . 8 1 1 A 48 48 MET CA C 48 54.400 55.776 -1.376 1
3 426 . 8 1 1 A 48 48 MET CB C 48 31.700 33.284 -1.584 1
3 429 . 8 1 1 A 49 49 ASN HA H 49 4.200 4.466 -0.266 1
3 432 . 8 1 1 A 49 49 ASN CA C 49 54.800 54.350 0.450 1
3 433 . 8 1 1 A 49 49 ASN CB C 49 37.000 36.535 0.465 1
3 434 . 8 1 1 A 50 50 LYS HA H 50 4.560 4.349 0.211 1
3 443 . 8 1 1 A 50 50 LYS CA C 50 55.600 56.609 -1.009 1
3 444 . 8 1 1 A 50 50 LYS CB C 50 33.300 33.684 -0.384 1
3 448 . 8 1 1 A 51 51 THR HA H 51 5.740 5.279 0.461 1
3 453 . 8 1 1 A 51 51 THR CA C 51 59.200 60.279 -1.079 1
3 454 . 8 1 1 A 51 51 THR CB C 51 71.700 72.272 -0.572 1
3 456 . 8 1 1 A 52 52 GLY HA2 H 52 4.090 4.234 -0.144 1
3 457 . 8 1 1 A 52 52 GLY HA3 H 52 3.920 4.278 -0.358 1
3 458 . 8 1 1 A 52 52 GLY CA C 52 45.600 45.458 0.142 1
3 459 . 8 1 1 A 53 53 PHE HA H 53 5.870 5.060 0.810 1
3 462 . 8 1 1 A 53 53 PHE CA C 53 57.900 58.230 -0.330 1
3 463 . 8 1 1 A 53 53 PHE CB C 53 42.800 40.613 2.187 1
3 464 . 8 1 1 A 54 54 VAL HA H 54 4.790 5.113 -0.323 1
3 472 . 8 1 1 A 54 54 VAL CA C 54 57.500 58.587 -1.087 1
3 473 . 8 1 1 A 54 54 VAL CB C 54 33.300 35.161 -1.861 1
3 476 . 8 1 1 A 55 55 PRO HA H 55 3.230 4.364 -1.134 1
3 483 . 8 1 1 A 55 55 PRO CA C 55 62.300 62.350 -0.050 1
3 484 . 8 1 1 A 55 55 PRO CB C 55 30.400 33.287 -2.887 1
3 487 . 8 1 1 A 57 57 ASN HA H 57 4.480 4.662 -0.182 1
3 490 . 8 1 1 A 57 57 ASN CA C 57 53.700 54.745 -1.045 1
3 491 . 8 1 1 A 57 57 ASN CB C 57 36.600 38.835 -2.235 1
3 492 . 8 1 1 A 58 58 TYR HA H 58 4.460 4.643 -0.183 1
3 495 . 8 1 1 A 58 58 TYR CA C 58 59.000 58.917 0.083 1
3 496 . 8 1 1 A 58 58 TYR CB C 58 38.100 40.425 -2.325 1
3 497 . 8 1 1 A 59 59 VAL HA H 59 5.090 5.011 0.079 1
3 505 . 8 1 1 A 59 59 VAL CA C 59 58.600 59.755 -1.155 1
3 506 . 8 1 1 A 59 59 VAL CB C 59 35.500 34.541 0.959 1
3 509 . 8 1 1 A 60 60 GLU HA H 60 4.790 4.787 0.003 1
3 514 . 8 1 1 A 60 60 GLU CA C 60 54.300 55.745 -1.445 1
3 515 . 8 1 1 A 60 60 GLU CB C 60 33.300 33.756 -0.456 1
3 517 . 8 1 1 A 61 61 ARG HA H 61 4.540 4.649 -0.109 1
3 524 . 8 1 1 A 61 61 ARG CA C 61 56.500 56.297 0.203 1
3 525 . 8 1 1 A 61 61 ARG CB C 61 31.200 30.474 0.726 1
3 528 . 8 1 1 A 62 62 LYS HA H 62 4.380 4.116 0.264 1
3 537 . 8 1 1 A 62 62 LYS CA C 62 55.900 56.787 -0.887 1
3 538 . 8 1 1 A 62 62 LYS CB C 62 33.200 33.558 -0.358 1
3 542 . 8 1 1 A 63 63 ASN HA H 63 4.740 5.004 -0.264 1
3 545 . 8 1 1 A 63 63 ASN CA C 63 53.200 53.980 -0.780 1
3 546 . 8 1 1 A 63 63 ASN CB C 63 39.000 41.499 -2.499 1
3 547 . 8 1 1 A 64 64 SER HA H 64 4.430 4.448 -0.018 1
3 550 . 8 1 1 A 64 64 SER CA C 64 58.400 57.385 1.015 1
3 551 . 8 1 1 A 64 64 SER CB C 64 63.900 62.682 1.218 1
3 552 . 8 1 1 A 65 65 ALA HA H 65 4.330 4.697 -0.367 1
3 556 . 8 1 1 A 65 65 ALA CA C 65 52.700 51.067 1.633 1
3 557 . 8 1 1 A 65 65 ALA CB C 65 19.300 19.647 -0.347 1
3 558 . 8 1 1 A 66 66 ARG HA H 66 4.300 4.443 -0.143 1
3 565 . 8 1 1 A 66 66 ARG CA C 66 56.000 55.479 0.521 1
3 566 . 8 1 1 A 66 66 ARG CB C 66 30.900 31.072 -0.172 1
3 569 . 8 1 1 A 67 67 ALA HA H 67 4.300 4.086 0.214 1
3 573 . 8 1 1 A 67 67 ALA CA C 67 52.400 54.805 -2.405 1
3 574 . 8 1 1 A 67 67 ALA CB C 67 19.200 18.968 0.232 1
3 575 . 8 1 1 A 69 69 ALA HA H 69 4.300 4.459 -0.159 1
3 579 . 8 1 1 A 69 69 ALA CA C 69 52.400 51.543 0.857 1
3 580 . 8 1 1 A 70 70 ASN HA H 70 4.750 4.983 -0.233 1
3 583 . 8 1 1 A 70 70 ASN CA C 70 53.300 51.609 1.691 1
3 584 . 8 1 1 A 70 70 ASN CB C 70 39.000 40.548 -1.548 1
3 585 . 8 1 1 A 71 71 SER HA H 71 4.520 4.771 -0.251 1
3 588 . 8 1 1 A 71 71 SER CA C 71 58.300 56.931 1.369 1
3 589 . 8 1 1 A 71 71 SER CB C 71 64.000 63.584 0.416 1
3 4 . 9 1 1 A 2 2 SER HA H 2 4.610 4.688 -0.078 1
3 7 . 9 1 1 A 2 2 SER CA C 2 58.200 59.281 -1.081 1
3 8 . 9 1 1 A 2 2 SER CB C 2 63.900 66.073 -2.173 1
3 9 . 9 1 1 A 3 3 THR HA H 3 4.380 4.226 0.154 1
3 14 . 9 1 1 A 3 3 THR CA C 3 61.900 64.626 -2.726 1
3 15 . 9 1 1 A 3 3 THR CB C 3 69.700 68.640 1.060 1
3 17 . 9 1 1 A 4 4 MET HA H 4 4.460 4.380 0.080 1
3 25 . 9 1 1 A 4 4 MET CA C 4 55.400 56.843 -1.443 1
3 26 . 9 1 1 A 4 4 MET CB C 4 32.900 31.636 1.264 1
3 29 . 9 1 1 A 5 5 ALA HA H 5 4.300 4.371 -0.071 1
3 33 . 9 1 1 A 5 5 ALA CA C 5 52.600 52.040 0.560 1
3 34 . 9 1 1 A 5 5 ALA CB C 5 19.300 19.974 -0.674 1
3 35 . 9 1 1 A 6 6 GLU HA H 6 4.300 5.056 -0.756 1
3 40 . 9 1 1 A 6 6 GLU CA C 6 56.100 55.309 0.791 1
3 41 . 9 1 1 A 6 6 GLU CB C 6 30.700 32.938 -2.238 1
3 43 . 9 1 1 A 7 7 GLU HA H 7 4.440 5.057 -0.617 1
3 48 . 9 1 1 A 7 7 GLU CA C 7 56.400 54.886 1.514 1
3 49 . 9 1 1 A 7 7 GLU CB C 7 30.700 33.737 -3.037 1
3 51 . 9 1 1 A 8 8 VAL HA H 8 4.210 4.798 -0.588 1
3 59 . 9 1 1 A 8 8 VAL CA C 8 62.200 60.851 1.349 1
3 60 . 9 1 1 A 8 8 VAL CB C 8 33.300 35.420 -2.120 1
3 63 . 9 1 1 A 9 9 VAL HA H 9 4.430 4.952 -0.522 1
3 71 . 9 1 1 A 9 9 VAL CA C 9 61.600 59.316 2.284 1
3 72 . 9 1 1 A 9 9 VAL CB C 9 32.900 34.479 -1.579 1
3 75 . 9 1 1 A 10 10 VAL HA H 10 4.990 5.296 -0.306 1
3 83 . 9 1 1 A 10 10 VAL CA C 10 58.200 59.392 -1.192 1
3 84 . 9 1 1 A 10 10 VAL CB C 10 35.100 35.850 -0.750 1
3 87 . 9 1 1 A 11 11 VAL HA H 11 5.010 5.029 -0.019 1
3 95 . 9 1 1 A 11 11 VAL CA C 11 59.500 59.688 -0.188 1
3 96 . 9 1 1 A 11 11 VAL CB C 11 35.100 34.088 1.012 1
3 99 . 9 1 1 A 12 12 ALA HA H 12 4.570 4.388 0.182 1
3 103 . 9 1 1 A 12 12 ALA CA C 12 52.700 52.611 0.089 1
3 104 . 9 1 1 A 12 12 ALA CB C 12 19.900 18.824 1.076 1
3 105 . 9 1 1 A 13 13 LYS HA H 13 3.850 4.055 -0.205 1
3 114 . 9 1 1 A 13 13 LYS CA C 13 57.200 57.213 -0.013 1
3 115 . 9 1 1 A 13 13 LYS CB C 13 33.800 32.461 1.339 1
3 119 . 9 1 1 A 14 14 PHE HA H 14 4.820 5.059 -0.239 1
3 122 . 9 1 1 A 14 14 PHE CA C 14 53.600 56.525 -2.925 1
3 123 . 9 1 1 A 14 14 PHE CB C 14 43.600 43.746 -0.146 1
3 124 . 9 1 1 A 15 15 ASP HA H 15 4.810 5.881 -1.071 1
3 127 . 9 1 1 A 15 15 ASP CA C 15 54.500 52.597 1.903 1
3 128 . 9 1 1 A 15 15 ASP CB C 15 41.700 44.146 -2.446 1
3 129 . 9 1 1 A 16 16 TYR HA H 16 4.770 5.256 -0.486 1
3 132 . 9 1 1 A 16 16 TYR CA C 16 59.300 57.567 1.733 1
3 133 . 9 1 1 A 16 16 TYR CB C 16 41.600 42.251 -0.651 1
3 134 . 9 1 1 A 17 17 VAL HA H 17 4.160 4.288 -0.128 1
3 142 . 9 1 1 A 17 17 VAL CA C 17 60.500 60.838 -0.338 1
3 143 . 9 1 1 A 17 17 VAL CB C 17 32.200 32.722 -0.522 1
3 146 . 9 1 1 A 18 18 ALA HA H 18 4.240 4.320 -0.080 1
3 150 . 9 1 1 A 18 18 ALA CA C 18 53.200 52.233 0.967 1
3 151 . 9 1 1 A 18 18 ALA CB C 18 19.900 19.091 0.809 1
3 152 . 9 1 1 A 19 19 GLN HA H 19 4.310 3.953 0.357 1
3 157 . 9 1 1 A 19 19 GLN CA C 19 55.100 59.937 -4.837 1
3 158 . 9 1 1 A 19 19 GLN CB C 19 31.100 28.944 2.156 1
3 160 . 9 1 1 A 20 20 GLN HA H 20 4.590 4.408 0.182 1
3 165 . 9 1 1 A 20 20 GLN CA C 20 53.900 55.071 -1.171 1
3 166 . 9 1 1 A 20 20 GLN CB C 20 32.400 29.409 2.991 1
3 168 . 9 1 1 A 21 21 GLU HA H 21 4.100 4.096 0.004 1
3 173 . 9 1 1 A 21 21 GLU CA C 21 59.500 58.922 0.578 1
3 174 . 9 1 1 A 21 21 GLU CB C 21 29.700 29.093 0.607 1
3 176 . 9 1 1 A 22 22 GLN HA H 22 4.550 4.008 0.542 1
3 181 . 9 1 1 A 22 22 GLN CA C 22 56.600 59.148 -2.548 1
3 182 . 9 1 1 A 22 22 GLN CB C 22 28.000 28.672 -0.672 1
3 184 . 9 1 1 A 23 23 GLU HA H 23 5.340 4.548 0.792 1
3 189 . 9 1 1 A 23 23 GLU CA C 23 55.500 56.839 -1.339 1
3 190 . 9 1 1 A 23 23 GLU CB C 23 32.400 31.152 1.248 1
3 192 . 9 1 1 A 24 24 LEU HA H 24 4.690 5.152 -0.462 1
3 202 . 9 1 1 A 24 24 LEU CA C 24 53.100 53.395 -0.295 1
3 203 . 9 1 1 A 24 24 LEU CB C 24 46.500 45.663 0.837 1
3 207 . 9 1 1 A 25 25 ASP HA H 25 5.170 5.173 -0.003 1
3 210 . 9 1 1 A 25 25 ASP CA C 25 54.100 53.675 0.425 1
3 211 . 9 1 1 A 25 25 ASP CB C 25 42.300 41.599 0.701 1
3 212 . 9 1 1 A 26 26 ILE HA H 26 5.130 5.279 -0.149 1
3 222 . 9 1 1 A 26 26 ILE CA C 26 59.600 58.846 0.754 1
3 223 . 9 1 1 A 26 26 ILE CB C 26 42.400 41.980 0.420 1
3 227 . 9 1 1 A 27 27 LYS HA H 27 5.100 4.823 0.277 1
3 236 . 9 1 1 A 27 27 LYS CA C 27 52.800 55.184 -2.384 1
3 237 . 9 1 1 A 27 27 LYS CB C 27 35.400 36.528 -1.128 1
3 241 . 9 1 1 A 28 28 LYS HA H 28 3.120 3.940 -0.820 1
3 250 . 9 1 1 A 28 28 LYS CA C 28 59.100 58.326 0.774 1
3 251 . 9 1 1 A 28 28 LYS CB C 28 32.500 32.180 0.320 1
3 255 . 9 1 1 A 29 29 ASN HA H 29 4.180 4.196 -0.016 1
3 258 . 9 1 1 A 29 29 ASN CA C 29 55.800 54.426 1.374 1
3 259 . 9 1 1 A 29 29 ASN CB C 29 37.300 37.124 0.176 1
3 260 . 9 1 1 A 30 30 GLU HA H 30 4.170 4.861 -0.691 1
3 265 . 9 1 1 A 30 30 GLU CA C 30 57.600 54.856 2.744 1
3 266 . 9 1 1 A 30 30 GLU CB C 30 31.700 32.422 -0.722 1
3 268 . 9 1 1 A 31 31 ARG HA H 31 4.580 4.549 0.031 1
3 275 . 9 1 1 A 31 31 ARG CA C 31 56.200 56.191 0.009 1
3 276 . 9 1 1 A 31 31 ARG CB C 31 30.800 30.712 0.088 1
3 279 . 9 1 1 A 32 32 LEU HA H 32 4.860 4.592 0.268 1
3 289 . 9 1 1 A 32 32 LEU CA C 32 53.200 52.845 0.355 1
3 290 . 9 1 1 A 32 32 LEU CB C 32 46.300 45.027 1.273 1
3 294 . 9 1 1 A 33 33 TRP HA H 33 5.100 5.304 -0.204 1
3 297 . 9 1 1 A 33 33 TRP CA C 33 58.300 55.560 2.740 1
3 298 . 9 1 1 A 33 33 TRP CB C 33 31.000 31.091 -0.091 1
3 299 . 9 1 1 A 34 34 LEU HA H 34 4.340 4.483 -0.143 1
3 309 . 9 1 1 A 34 34 LEU CA C 34 55.500 55.461 0.039 1
3 310 . 9 1 1 A 34 34 LEU CB C 34 43.700 42.601 1.099 1
3 314 . 9 1 1 A 35 35 LEU HA H 35 4.620 4.433 0.187 1
3 324 . 9 1 1 A 35 35 LEU CA C 35 55.400 55.857 -0.457 1
3 325 . 9 1 1 A 35 35 LEU CB C 35 42.700 43.004 -0.304 1
3 329 . 9 1 1 A 36 36 ASP HA H 36 4.760 4.924 -0.164 1
3 332 . 9 1 1 A 36 36 ASP CA C 36 55.300 53.761 1.539 1
3 333 . 9 1 1 A 36 36 ASP CB C 36 43.400 42.698 0.702 1
3 334 . 9 1 1 A 37 37 ASP HA H 37 3.940 4.328 -0.388 1
3 337 . 9 1 1 A 37 37 ASP CA C 37 51.900 52.193 -0.293 1
3 338 . 9 1 1 A 37 37 ASP CB C 37 40.000 39.262 0.738 1
3 339 . 9 1 1 A 38 38 SER HA H 38 4.210 4.632 -0.422 1
3 342 . 9 1 1 A 38 38 SER CA C 38 61.400 59.523 1.877 1
3 343 . 9 1 1 A 38 38 SER CB C 38 63.900 64.901 -1.001 1
3 344 . 9 1 1 A 39 39 LYS HA H 39 4.910 4.462 0.448 1
3 353 . 9 1 1 A 39 39 LYS CA C 39 55.000 56.111 -1.111 1
3 354 . 9 1 1 A 39 39 LYS CB C 39 34.200 33.522 0.678 1
3 358 . 9 1 1 A 40 40 SER HA H 40 4.310 4.192 0.118 1
3 361 . 9 1 1 A 40 40 SER CA C 40 60.700 62.600 -1.900 1
3 362 . 9 1 1 A 40 40 SER CB C 40 63.100 63.194 -0.094 1
3 363 . 9 1 1 A 41 41 TRP HA H 41 4.860 4.840 0.020 1
3 366 . 9 1 1 A 41 41 TRP CA C 41 56.600 56.716 -0.116 1
3 367 . 9 1 1 A 41 41 TRP CB C 41 29.500 29.778 -0.278 1
3 368 . 9 1 1 A 42 42 TRP HA H 42 5.450 5.051 0.399 1
3 371 . 9 1 1 A 42 42 TRP CA C 42 54.200 57.590 -3.390 1
3 372 . 9 1 1 A 42 42 TRP CB C 42 30.900 29.289 1.611 1
3 373 . 9 1 1 A 43 43 ARG HA H 43 4.550 4.478 0.072 1
3 380 . 9 1 1 A 43 43 ARG CA C 43 55.400 56.060 -0.660 1
3 381 . 9 1 1 A 43 43 ARG CB C 43 32.200 30.232 1.968 1
3 384 . 9 1 1 A 44 44 VAL HA H 44 5.520 5.128 0.392 1
3 392 . 9 1 1 A 44 44 VAL CA C 44 58.800 58.803 -0.003 1
3 393 . 9 1 1 A 44 44 VAL CB C 44 36.500 36.329 0.171 1
3 396 . 9 1 1 A 45 45 ARG HA H 45 5.530 5.234 0.296 1
3 403 . 9 1 1 A 45 45 ARG CA C 45 53.600 53.826 -0.226 1
3 404 . 9 1 1 A 45 45 ARG CB C 45 35.400 34.181 1.219 1
3 407 . 9 1 1 A 46 46 ASN HA H 46 5.490 5.452 0.038 1
3 410 . 9 1 1 A 46 46 ASN CA C 46 50.600 51.280 -0.680 1
3 411 . 9 1 1 A 46 46 ASN CB C 46 40.900 41.853 -0.953 1
3 412 . 9 1 1 A 47 47 SER HA H 47 4.320 4.544 -0.224 1
3 415 . 9 1 1 A 47 47 SER CA C 47 61.500 61.824 -0.324 1
3 416 . 9 1 1 A 47 47 SER CB C 47 63.000 62.984 0.016 1
3 417 . 9 1 1 A 48 48 MET HA H 48 4.730 4.584 0.146 1
3 425 . 9 1 1 A 48 48 MET CA C 48 54.400 55.820 -1.420 1
3 426 . 9 1 1 A 48 48 MET CB C 48 31.700 33.239 -1.539 1
3 429 . 9 1 1 A 49 49 ASN HA H 49 4.200 4.464 -0.264 1
3 432 . 9 1 1 A 49 49 ASN CA C 49 54.800 54.352 0.448 1
3 433 . 9 1 1 A 49 49 ASN CB C 49 37.000 36.536 0.464 1
3 434 . 9 1 1 A 50 50 LYS HA H 50 4.560 4.297 0.263 1
3 443 . 9 1 1 A 50 50 LYS CA C 50 55.600 56.581 -0.981 1
3 444 . 9 1 1 A 50 50 LYS CB C 50 33.300 33.508 -0.208 1
3 448 . 9 1 1 A 51 51 THR HA H 51 5.740 5.262 0.478 1
3 453 . 9 1 1 A 51 51 THR CA C 51 59.200 59.679 -0.479 1
3 454 . 9 1 1 A 51 51 THR CB C 51 71.700 72.496 -0.796 1
3 456 . 9 1 1 A 52 52 GLY HA2 H 52 4.090 4.209 -0.119 1
3 457 . 9 1 1 A 52 52 GLY HA3 H 52 3.920 4.258 -0.338 1
3 458 . 9 1 1 A 52 52 GLY CA C 52 45.600 45.559 0.041 1
3 459 . 9 1 1 A 53 53 PHE HA H 53 5.870 5.203 0.667 1
3 462 . 9 1 1 A 53 53 PHE CA C 53 57.900 57.983 -0.083 1
3 463 . 9 1 1 A 53 53 PHE CB C 53 42.800 41.081 1.719 1
3 464 . 9 1 1 A 54 54 VAL HA H 54 4.790 5.122 -0.332 1
3 472 . 9 1 1 A 54 54 VAL CA C 54 57.500 58.399 -0.899 1
3 473 . 9 1 1 A 54 54 VAL CB C 54 33.300 34.937 -1.637 1
3 476 . 9 1 1 A 55 55 PRO HA H 55 3.230 4.301 -1.071 1
3 483 . 9 1 1 A 55 55 PRO CA C 55 62.300 62.439 -0.139 1
3 484 . 9 1 1 A 55 55 PRO CB C 55 30.400 31.808 -1.408 1
3 487 . 9 1 1 A 57 57 ASN HA H 57 4.480 4.522 -0.042 1
3 490 . 9 1 1 A 57 57 ASN CA C 57 53.700 55.013 -1.313 1
3 491 . 9 1 1 A 57 57 ASN CB C 57 36.600 38.279 -1.679 1
3 492 . 9 1 1 A 58 58 TYR HA H 58 4.460 4.638 -0.178 1
3 495 . 9 1 1 A 58 58 TYR CA C 58 59.000 58.912 0.088 1
3 496 . 9 1 1 A 58 58 TYR CB C 58 38.100 40.373 -2.273 1
3 497 . 9 1 1 A 59 59 VAL HA H 59 5.090 4.732 0.358 1
3 505 . 9 1 1 A 59 59 VAL CA C 59 58.600 59.671 -1.071 1
3 506 . 9 1 1 A 59 59 VAL CB C 59 35.500 35.014 0.486 1
3 509 . 9 1 1 A 60 60 GLU HA H 60 4.790 4.707 0.083 1
3 514 . 9 1 1 A 60 60 GLU CA C 60 54.300 55.773 -1.473 1
3 515 . 9 1 1 A 60 60 GLU CB C 60 33.300 33.294 0.006 1
3 517 . 9 1 1 A 61 61 ARG HA H 61 4.540 4.650 -0.110 1
3 524 . 9 1 1 A 61 61 ARG CA C 61 56.500 56.310 0.190 1
3 525 . 9 1 1 A 61 61 ARG CB C 61 31.200 30.460 0.740 1
3 528 . 9 1 1 A 62 62 LYS HA H 62 4.380 4.241 0.139 1
3 537 . 9 1 1 A 62 62 LYS CA C 62 55.900 57.070 -1.170 1
3 538 . 9 1 1 A 62 62 LYS CB C 62 33.200 32.728 0.472 1
3 542 . 9 1 1 A 63 63 ASN HA H 63 4.740 5.009 -0.269 1
3 545 . 9 1 1 A 63 63 ASN CA C 63 53.200 52.868 0.332 1
3 546 . 9 1 1 A 63 63 ASN CB C 63 39.000 38.995 0.005 1
3 547 . 9 1 1 A 64 64 SER HA H 64 4.430 4.447 -0.017 1
3 550 . 9 1 1 A 64 64 SER CA C 64 58.400 58.343 0.057 1
3 551 . 9 1 1 A 64 64 SER CB C 64 63.900 63.787 0.113 1
3 552 . 9 1 1 A 65 65 ALA HA H 65 4.330 4.341 -0.011 1
3 556 . 9 1 1 A 65 65 ALA CA C 65 52.700 51.646 1.054 1
3 557 . 9 1 1 A 65 65 ALA CB C 65 19.300 18.419 0.881 1
3 558 . 9 1 1 A 66 66 ARG HA H 66 4.300 4.139 0.161 1
3 565 . 9 1 1 A 66 66 ARG CA C 66 56.000 57.189 -1.189 1
3 566 . 9 1 1 A 66 66 ARG CB C 66 30.900 29.273 1.627 1
3 569 . 9 1 1 A 67 67 ALA HA H 67 4.300 4.117 0.183 1
3 573 . 9 1 1 A 67 67 ALA CA C 67 52.400 54.220 -1.820 1
3 574 . 9 1 1 A 67 67 ALA CB C 67 19.200 18.774 0.426 1
3 575 . 9 1 1 A 69 69 ALA HA H 69 4.300 4.463 -0.163 1
3 579 . 9 1 1 A 69 69 ALA CA C 69 52.400 51.172 1.228 1
3 580 . 9 1 1 A 70 70 ASN HA H 70 4.750 4.938 -0.188 1
3 583 . 9 1 1 A 70 70 ASN CA C 70 53.300 53.251 0.049 1
3 584 . 9 1 1 A 70 70 ASN CB C 70 39.000 41.120 -2.120 1
3 585 . 9 1 1 A 71 71 SER HA H 71 4.520 4.394 0.126 1
3 588 . 9 1 1 A 71 71 SER CA C 71 58.300 60.679 -2.379 1
3 589 . 9 1 1 A 71 71 SER CB C 71 64.000 61.997 2.003 1
3 4 . 10 1 1 A 2 2 SER HA H 2 4.610 4.949 -0.339 1
3 7 . 10 1 1 A 2 2 SER CA C 2 58.200 57.397 0.803 1
3 8 . 10 1 1 A 2 2 SER CB C 2 63.900 63.953 -0.053 1
3 9 . 10 1 1 A 3 3 THR HA H 3 4.380 4.458 -0.078 1
3 14 . 10 1 1 A 3 3 THR CA C 3 61.900 63.766 -1.866 1
3 15 . 10 1 1 A 3 3 THR CB C 3 69.700 68.798 0.902 1
3 17 . 10 1 1 A 4 4 MET HA H 4 4.460 4.961 -0.501 1
3 25 . 10 1 1 A 4 4 MET CA C 4 55.400 54.348 1.052 1
3 26 . 10 1 1 A 4 4 MET CB C 4 32.900 37.401 -4.501 1
3 29 . 10 1 1 A 5 5 ALA HA H 5 4.300 4.313 -0.013 1
3 33 . 10 1 1 A 5 5 ALA CA C 5 52.600 54.508 -1.908 1
3 34 . 10 1 1 A 5 5 ALA CB C 5 19.300 19.567 -0.267 1
3 35 . 10 1 1 A 6 6 GLU HA H 6 4.300 4.531 -0.231 1
3 40 . 10 1 1 A 6 6 GLU CA C 6 56.100 55.547 0.553 1
3 41 . 10 1 1 A 6 6 GLU CB C 6 30.700 30.120 0.580 1
3 43 . 10 1 1 A 7 7 GLU HA H 7 4.440 4.851 -0.411 1
3 48 . 10 1 1 A 7 7 GLU CA C 7 56.400 55.167 1.233 1
3 49 . 10 1 1 A 7 7 GLU CB C 7 30.700 30.880 -0.180 1
3 51 . 10 1 1 A 8 8 VAL HA H 8 4.210 4.779 -0.569 1
3 59 . 10 1 1 A 8 8 VAL CA C 8 62.200 61.301 0.899 1
3 60 . 10 1 1 A 8 8 VAL CB C 8 33.300 33.843 -0.543 1
3 63 . 10 1 1 A 9 9 VAL HA H 9 4.430 4.961 -0.531 1
3 71 . 10 1 1 A 9 9 VAL CA C 9 61.600 59.318 2.282 1
3 72 . 10 1 1 A 9 9 VAL CB C 9 32.900 34.414 -1.514 1
3 75 . 10 1 1 A 10 10 VAL HA H 10 4.990 5.460 -0.470 1
3 83 . 10 1 1 A 10 10 VAL CA C 10 58.200 59.169 -0.969 1
3 84 . 10 1 1 A 10 10 VAL CB C 10 35.100 35.721 -0.621 1
3 87 . 10 1 1 A 11 11 VAL HA H 11 5.010 4.871 0.139 1
3 95 . 10 1 1 A 11 11 VAL CA C 11 59.500 59.357 0.143 1
3 96 . 10 1 1 A 11 11 VAL CB C 11 35.100 34.528 0.572 1
3 99 . 10 1 1 A 12 12 ALA HA H 12 4.570 4.895 -0.325 1
3 103 . 10 1 1 A 12 12 ALA CA C 12 52.700 51.226 1.474 1
3 104 . 10 1 1 A 12 12 ALA CB C 12 19.900 20.133 -0.233 1
3 105 . 10 1 1 A 13 13 LYS HA H 13 3.850 4.074 -0.224 1
3 114 . 10 1 1 A 13 13 LYS CA C 13 57.200 57.312 -0.112 1
3 115 . 10 1 1 A 13 13 LYS CB C 13 33.800 32.645 1.155 1
3 119 . 10 1 1 A 14 14 PHE HA H 14 4.820 5.045 -0.225 1
3 122 . 10 1 1 A 14 14 PHE CA C 14 53.600 56.618 -3.018 1
3 123 . 10 1 1 A 14 14 PHE CB C 14 43.600 43.733 -0.133 1
3 124 . 10 1 1 A 15 15 ASP HA H 15 4.810 5.823 -1.013 1
3 127 . 10 1 1 A 15 15 ASP CA C 15 54.500 52.808 1.692 1
3 128 . 10 1 1 A 15 15 ASP CB C 15 41.700 43.488 -1.788 1
3 129 . 10 1 1 A 16 16 TYR HA H 16 4.770 5.249 -0.479 1
3 132 . 10 1 1 A 16 16 TYR CA C 16 59.300 56.850 2.450 1
3 133 . 10 1 1 A 16 16 TYR CB C 16 41.600 42.175 -0.575 1
3 134 . 10 1 1 A 17 17 VAL HA H 17 4.160 4.217 -0.057 1
3 142 . 10 1 1 A 17 17 VAL CA C 17 60.500 60.817 -0.317 1
3 143 . 10 1 1 A 17 17 VAL CB C 17 32.200 32.961 -0.761 1
3 146 . 10 1 1 A 18 18 ALA HA H 18 4.240 4.699 -0.459 1
3 150 . 10 1 1 A 18 18 ALA CA C 18 53.200 51.877 1.323 1
3 151 . 10 1 1 A 18 18 ALA CB C 18 19.900 18.626 1.274 1
3 152 . 10 1 1 A 19 19 GLN HA H 19 4.310 3.977 0.333 1
3 157 . 10 1 1 A 19 19 GLN CA C 19 55.100 59.816 -4.716 1
3 158 . 10 1 1 A 19 19 GLN CB C 19 31.100 28.984 2.116 1
3 160 . 10 1 1 A 20 20 GLN HA H 20 4.590 4.338 0.252 1
3 165 . 10 1 1 A 20 20 GLN CA C 20 53.900 55.773 -1.873 1
3 166 . 10 1 1 A 20 20 GLN CB C 20 32.400 30.464 1.936 1
3 168 . 10 1 1 A 21 21 GLU HA H 21 4.100 4.079 0.021 1
3 173 . 10 1 1 A 21 21 GLU CA C 21 59.500 58.793 0.707 1
3 174 . 10 1 1 A 21 21 GLU CB C 21 29.700 29.105 0.595 1
3 176 . 10 1 1 A 22 22 GLN HA H 22 4.550 4.069 0.481 1
3 181 . 10 1 1 A 22 22 GLN CA C 22 56.600 58.944 -2.344 1
3 182 . 10 1 1 A 22 22 GLN CB C 22 28.000 28.745 -0.745 1
3 184 . 10 1 1 A 23 23 GLU HA H 23 5.340 4.536 0.804 1
3 189 . 10 1 1 A 23 23 GLU CA C 23 55.500 56.823 -1.323 1
3 190 . 10 1 1 A 23 23 GLU CB C 23 32.400 31.053 1.347 1
3 192 . 10 1 1 A 24 24 LEU HA H 24 4.690 5.166 -0.476 1
3 202 . 10 1 1 A 24 24 LEU CA C 24 53.100 53.480 -0.380 1
3 203 . 10 1 1 A 24 24 LEU CB C 24 46.500 45.485 1.015 1
3 207 . 10 1 1 A 25 25 ASP HA H 25 5.170 5.308 -0.138 1
3 210 . 10 1 1 A 25 25 ASP CA C 25 54.100 52.904 1.196 1
3 211 . 10 1 1 A 25 25 ASP CB C 25 42.300 42.178 0.122 1
3 212 . 10 1 1 A 26 26 ILE HA H 26 5.130 5.288 -0.158 1
3 222 . 10 1 1 A 26 26 ILE CA C 26 59.600 58.873 0.727 1
3 223 . 10 1 1 A 26 26 ILE CB C 26 42.400 42.249 0.151 1
3 227 . 10 1 1 A 27 27 LYS HA H 27 5.100 4.812 0.288 1
3 236 . 10 1 1 A 27 27 LYS CA C 27 52.800 55.136 -2.336 1
3 237 . 10 1 1 A 27 27 LYS CB C 27 35.400 36.558 -1.158 1
3 241 . 10 1 1 A 28 28 LYS HA H 28 3.120 3.973 -0.853 1
3 250 . 10 1 1 A 28 28 LYS CA C 28 59.100 58.333 0.767 1
3 251 . 10 1 1 A 28 28 LYS CB C 28 32.500 32.232 0.268 1
3 255 . 10 1 1 A 29 29 ASN HA H 29 4.180 4.213 -0.033 1
3 258 . 10 1 1 A 29 29 ASN CA C 29 55.800 54.403 1.397 1
3 259 . 10 1 1 A 29 29 ASN CB C 29 37.300 37.102 0.198 1
3 260 . 10 1 1 A 30 30 GLU HA H 30 4.170 4.888 -0.718 1
3 265 . 10 1 1 A 30 30 GLU CA C 30 57.600 54.949 2.651 1
3 266 . 10 1 1 A 30 30 GLU CB C 30 31.700 32.443 -0.743 1
3 268 . 10 1 1 A 31 31 ARG HA H 31 4.580 4.552 0.028 1
3 275 . 10 1 1 A 31 31 ARG CA C 31 56.200 55.911 0.289 1
3 276 . 10 1 1 A 31 31 ARG CB C 31 30.800 30.629 0.171 1
3 279 . 10 1 1 A 32 32 LEU HA H 32 4.860 4.504 0.356 1
3 289 . 10 1 1 A 32 32 LEU CA C 32 53.200 53.028 0.172 1
3 290 . 10 1 1 A 32 32 LEU CB C 32 46.300 45.711 0.589 1
3 294 . 10 1 1 A 33 33 TRP HA H 33 5.100 5.247 -0.147 1
3 297 . 10 1 1 A 33 33 TRP CA C 33 58.300 55.957 2.343 1
3 298 . 10 1 1 A 33 33 TRP CB C 33 31.000 30.360 0.640 1
3 299 . 10 1 1 A 34 34 LEU HA H 34 4.340 4.410 -0.070 1
3 309 . 10 1 1 A 34 34 LEU CA C 34 55.500 55.690 -0.190 1
3 310 . 10 1 1 A 34 34 LEU CB C 34 43.700 42.455 1.245 1
3 314 . 10 1 1 A 35 35 LEU HA H 35 4.620 4.347 0.273 1
3 324 . 10 1 1 A 35 35 LEU CA C 35 55.400 56.003 -0.603 1
3 325 . 10 1 1 A 35 35 LEU CB C 35 42.700 42.539 0.161 1
3 329 . 10 1 1 A 36 36 ASP HA H 36 4.760 4.919 -0.159 1
3 332 . 10 1 1 A 36 36 ASP CA C 36 55.300 52.909 2.391 1
3 333 . 10 1 1 A 36 36 ASP CB C 36 43.400 42.664 0.736 1
3 334 . 10 1 1 A 37 37 ASP HA H 37 3.940 4.672 -0.732 1
3 337 . 10 1 1 A 37 37 ASP CA C 37 51.900 52.382 -0.482 1
3 338 . 10 1 1 A 37 37 ASP CB C 37 40.000 39.517 0.483 1
3 339 . 10 1 1 A 38 38 SER HA H 38 4.210 4.585 -0.375 1
3 342 . 10 1 1 A 38 38 SER CA C 38 61.400 60.924 0.476 1
3 343 . 10 1 1 A 38 38 SER CB C 38 63.900 64.178 -0.278 1
3 344 . 10 1 1 A 39 39 LYS HA H 39 4.910 4.468 0.442 1
3 353 . 10 1 1 A 39 39 LYS CA C 39 55.000 56.108 -1.108 1
3 354 . 10 1 1 A 39 39 LYS CB C 39 34.200 33.485 0.715 1
3 358 . 10 1 1 A 40 40 SER HA H 40 4.310 4.178 0.132 1
3 361 . 10 1 1 A 40 40 SER CA C 40 60.700 62.176 -1.476 1
3 362 . 10 1 1 A 40 40 SER CB C 40 63.100 63.387 -0.287 1
3 363 . 10 1 1 A 41 41 TRP HA H 41 4.860 4.813 0.047 1
3 366 . 10 1 1 A 41 41 TRP CA C 41 56.600 57.284 -0.684 1
3 367 . 10 1 1 A 41 41 TRP CB C 41 29.500 29.769 -0.269 1
3 368 . 10 1 1 A 42 42 TRP HA H 42 5.450 4.993 0.457 1
3 371 . 10 1 1 A 42 42 TRP CA C 42 54.200 57.674 -3.474 1
3 372 . 10 1 1 A 42 42 TRP CB C 42 30.900 29.503 1.397 1
3 373 . 10 1 1 A 43 43 ARG HA H 43 4.550 4.467 0.083 1
3 380 . 10 1 1 A 43 43 ARG CA C 43 55.400 56.147 -0.747 1
3 381 . 10 1 1 A 43 43 ARG CB C 43 32.200 30.435 1.765 1
3 384 . 10 1 1 A 44 44 VAL HA H 44 5.520 5.018 0.502 1
3 392 . 10 1 1 A 44 44 VAL CA C 44 58.800 58.679 0.121 1
3 393 . 10 1 1 A 44 44 VAL CB C 44 36.500 36.318 0.182 1
3 396 . 10 1 1 A 45 45 ARG HA H 45 5.530 5.228 0.302 1
3 403 . 10 1 1 A 45 45 ARG CA C 45 53.600 53.947 -0.347 1
3 404 . 10 1 1 A 45 45 ARG CB C 45 35.400 34.202 1.198 1
3 407 . 10 1 1 A 46 46 ASN HA H 46 5.490 5.471 0.019 1
3 410 . 10 1 1 A 46 46 ASN CA C 46 50.600 51.365 -0.765 1
3 411 . 10 1 1 A 46 46 ASN CB C 46 40.900 41.717 -0.817 1
3 412 . 10 1 1 A 47 47 SER HA H 47 4.320 4.334 -0.014 1
3 415 . 10 1 1 A 47 47 SER CA C 47 61.500 61.400 0.100 1
3 416 . 10 1 1 A 47 47 SER CB C 47 63.000 62.845 0.155 1
3 417 . 10 1 1 A 48 48 MET HA H 48 4.730 4.575 0.155 1
3 425 . 10 1 1 A 48 48 MET CA C 48 54.400 55.810 -1.410 1
3 426 . 10 1 1 A 48 48 MET CB C 48 31.700 33.306 -1.606 1
3 429 . 10 1 1 A 49 49 ASN HA H 49 4.200 4.461 -0.261 1
3 432 . 10 1 1 A 49 49 ASN CA C 49 54.800 54.348 0.452 1
3 433 . 10 1 1 A 49 49 ASN CB C 49 37.000 36.537 0.463 1
3 434 . 10 1 1 A 50 50 LYS HA H 50 4.560 4.286 0.274 1
3 443 . 10 1 1 A 50 50 LYS CA C 50 55.600 56.819 -1.219 1
3 444 . 10 1 1 A 50 50 LYS CB C 50 33.300 33.397 -0.097 1
3 448 . 10 1 1 A 51 51 THR HA H 51 5.740 5.282 0.458 1
3 453 . 10 1 1 A 51 51 THR CA C 51 59.200 60.031 -0.831 1
3 454 . 10 1 1 A 51 51 THR CB C 51 71.700 71.180 0.520 1
3 456 . 10 1 1 A 52 52 GLY HA2 H 52 4.090 4.324 -0.234 1
3 457 . 10 1 1 A 52 52 GLY HA3 H 52 3.920 4.365 -0.445 1
3 458 . 10 1 1 A 52 52 GLY CA C 52 45.600 45.117 0.483 1
3 459 . 10 1 1 A 53 53 PHE HA H 53 5.870 5.393 0.477 1
3 462 . 10 1 1 A 53 53 PHE CA C 53 57.900 57.234 0.666 1
3 463 . 10 1 1 A 53 53 PHE CB C 53 42.800 41.343 1.457 1
3 464 . 10 1 1 A 54 54 VAL HA H 54 4.790 5.078 -0.288 1
3 472 . 10 1 1 A 54 54 VAL CA C 54 57.500 58.353 -0.853 1
3 473 . 10 1 1 A 54 54 VAL CB C 54 33.300 34.843 -1.543 1
3 476 . 10 1 1 A 55 55 PRO HA H 55 3.230 4.336 -1.106 1
3 483 . 10 1 1 A 55 55 PRO CA C 55 62.300 62.394 -0.094 1
3 484 . 10 1 1 A 55 55 PRO CB C 55 30.400 32.470 -2.070 1
3 487 . 10 1 1 A 57 57 ASN HA H 57 4.480 4.665 -0.185 1
3 490 . 10 1 1 A 57 57 ASN CA C 57 53.700 54.271 -0.571 1
3 491 . 10 1 1 A 57 57 ASN CB C 57 36.600 39.234 -2.634 1
3 492 . 10 1 1 A 58 58 TYR HA H 58 4.460 4.659 -0.199 1
3 495 . 10 1 1 A 58 58 TYR CA C 58 59.000 59.083 -0.083 1
3 496 . 10 1 1 A 58 58 TYR CB C 58 38.100 40.393 -2.293 1
3 497 . 10 1 1 A 59 59 VAL HA H 59 5.090 5.158 -0.068 1
3 505 . 10 1 1 A 59 59 VAL CA C 59 58.600 59.720 -1.120 1
3 506 . 10 1 1 A 59 59 VAL CB C 59 35.500 34.513 0.987 1
3 509 . 10 1 1 A 60 60 GLU HA H 60 4.790 4.875 -0.085 1
3 514 . 10 1 1 A 60 60 GLU CA C 60 54.300 55.645 -1.345 1
3 515 . 10 1 1 A 60 60 GLU CB C 60 33.300 33.846 -0.546 1
3 517 . 10 1 1 A 61 61 ARG HA H 61 4.540 4.525 0.015 1
3 524 . 10 1 1 A 61 61 ARG CA C 61 56.500 57.451 -0.951 1
3 525 . 10 1 1 A 61 61 ARG CB C 61 31.200 30.418 0.782 1
3 528 . 10 1 1 A 62 62 LYS HA H 62 4.380 3.812 0.568 1
3 537 . 10 1 1 A 62 62 LYS CA C 62 55.900 59.996 -4.096 1
3 538 . 10 1 1 A 62 62 LYS CB C 62 33.200 32.727 0.473 1
3 542 . 10 1 1 A 63 63 ASN HA H 63 4.740 4.943 -0.203 1
3 545 . 10 1 1 A 63 63 ASN CA C 63 53.200 52.286 0.914 1
3 546 . 10 1 1 A 63 63 ASN CB C 63 39.000 39.345 -0.345 1
3 547 . 10 1 1 A 64 64 SER HA H 64 4.430 4.516 -0.086 1
3 550 . 10 1 1 A 64 64 SER CA C 64 58.400 60.880 -2.480 1
3 551 . 10 1 1 A 64 64 SER CB C 64 63.900 63.844 0.056 1
3 552 . 10 1 1 A 65 65 ALA HA H 65 4.330 4.358 -0.028 1
3 556 . 10 1 1 A 65 65 ALA CA C 65 52.700 51.916 0.784 1
3 557 . 10 1 1 A 65 65 ALA CB C 65 19.300 19.455 -0.155 1
3 558 . 10 1 1 A 66 66 ARG HA H 66 4.300 4.043 0.257 1
3 565 . 10 1 1 A 66 66 ARG CA C 66 56.000 56.380 -0.380 1
3 566 . 10 1 1 A 66 66 ARG CB C 66 30.900 28.954 1.946 1
3 569 . 10 1 1 A 67 67 ALA HA H 67 4.300 4.124 0.176 1
3 573 . 10 1 1 A 67 67 ALA CA C 67 52.400 55.129 -2.729 1
3 574 . 10 1 1 A 67 67 ALA CB C 67 19.200 18.230 0.970 1
3 575 . 10 1 1 A 69 69 ALA HA H 69 4.300 4.138 0.162 1
3 579 . 10 1 1 A 69 69 ALA CA C 69 52.400 52.758 -0.358 1
3 580 . 10 1 1 A 70 70 ASN HA H 70 4.750 5.429 -0.679 1
3 583 . 10 1 1 A 70 70 ASN CA C 70 53.300 50.991 2.309 1
3 584 . 10 1 1 A 70 70 ASN CB C 70 39.000 41.134 -2.134 1
3 585 . 10 1 1 A 71 71 SER HA H 71 4.520 4.266 0.254 1
3 588 . 10 1 1 A 71 71 SER CA C 71 58.300 58.807 -0.507 1
3 589 . 10 1 1 A 71 71 SER CB C 71 64.000 64.304 -0.304 1
3 4 . 11 1 1 A 2 2 SER HA H 2 4.610 4.531 0.079 1
3 7 . 11 1 1 A 2 2 SER CA C 2 58.200 57.503 0.697 1
3 8 . 11 1 1 A 2 2 SER CB C 2 63.900 61.568 2.332 1
3 9 . 11 1 1 A 3 3 THR HA H 3 4.380 4.158 0.222 1
3 14 . 11 1 1 A 3 3 THR CA C 3 61.900 64.160 -2.260 1
3 15 . 11 1 1 A 3 3 THR CB C 3 69.700 69.243 0.457 1
3 17 . 11 1 1 A 4 4 MET HA H 4 4.460 4.383 0.077 1
3 25 . 11 1 1 A 4 4 MET CA C 4 55.400 56.427 -1.027 1
3 26 . 11 1 1 A 4 4 MET CB C 4 32.900 34.203 -1.303 1
3 29 . 11 1 1 A 5 5 ALA HA H 5 4.300 4.012 0.288 1
3 33 . 11 1 1 A 5 5 ALA CA C 5 52.600 55.184 -2.584 1
3 34 . 11 1 1 A 5 5 ALA CB C 5 19.300 19.109 0.191 1
3 35 . 11 1 1 A 6 6 GLU HA H 6 4.300 3.968 0.332 1
3 40 . 11 1 1 A 6 6 GLU CA C 6 56.100 57.320 -1.220 1
3 41 . 11 1 1 A 6 6 GLU CB C 6 30.700 28.363 2.337 1
3 43 . 11 1 1 A 7 7 GLU HA H 7 4.440 4.605 -0.165 1
3 48 . 11 1 1 A 7 7 GLU CA C 7 56.400 55.791 0.609 1
3 49 . 11 1 1 A 7 7 GLU CB C 7 30.700 31.512 -0.812 1
3 51 . 11 1 1 A 8 8 VAL HA H 8 4.210 4.866 -0.656 1
3 59 . 11 1 1 A 8 8 VAL CA C 8 62.200 60.785 1.415 1
3 60 . 11 1 1 A 8 8 VAL CB C 8 33.300 35.658 -2.358 1
3 63 . 11 1 1 A 9 9 VAL HA H 9 4.430 5.076 -0.646 1
3 71 . 11 1 1 A 9 9 VAL CA C 9 61.600 59.284 2.316 1
3 72 . 11 1 1 A 9 9 VAL CB C 9 32.900 34.581 -1.681 1
3 75 . 11 1 1 A 10 10 VAL HA H 10 4.990 5.308 -0.318 1
3 83 . 11 1 1 A 10 10 VAL CA C 10 58.200 59.243 -1.043 1
3 84 . 11 1 1 A 10 10 VAL CB C 10 35.100 35.801 -0.701 1
3 87 . 11 1 1 A 11 11 VAL HA H 11 5.010 4.827 0.183 1
3 95 . 11 1 1 A 11 11 VAL CA C 11 59.500 59.801 -0.301 1
3 96 . 11 1 1 A 11 11 VAL CB C 11 35.100 34.155 0.945 1
3 99 . 11 1 1 A 12 12 ALA HA H 12 4.570 4.665 -0.095 1
3 103 . 11 1 1 A 12 12 ALA CA C 12 52.700 52.615 0.085 1
3 104 . 11 1 1 A 12 12 ALA CB C 12 19.900 19.195 0.705 1
3 105 . 11 1 1 A 13 13 LYS HA H 13 3.850 4.205 -0.355 1
3 114 . 11 1 1 A 13 13 LYS CA C 13 57.200 56.954 0.246 1
3 115 . 11 1 1 A 13 13 LYS CB C 13 33.800 33.456 0.344 1
3 119 . 11 1 1 A 14 14 PHE HA H 14 4.820 5.124 -0.304 1
3 122 . 11 1 1 A 14 14 PHE CA C 14 53.600 56.726 -3.126 1
3 123 . 11 1 1 A 14 14 PHE CB C 14 43.600 42.810 0.790 1
3 124 . 11 1 1 A 15 15 ASP HA H 15 4.810 5.420 -0.610 1
3 127 . 11 1 1 A 15 15 ASP CA C 15 54.500 53.247 1.253 1
3 128 . 11 1 1 A 15 15 ASP CB C 15 41.700 42.597 -0.897 1
3 129 . 11 1 1 A 16 16 TYR HA H 16 4.770 5.368 -0.598 1
3 132 . 11 1 1 A 16 16 TYR CA C 16 59.300 56.978 2.322 1
3 133 . 11 1 1 A 16 16 TYR CB C 16 41.600 42.499 -0.899 1
3 134 . 11 1 1 A 17 17 VAL HA H 17 4.160 4.310 -0.150 1
3 142 . 11 1 1 A 17 17 VAL CA C 17 60.500 60.622 -0.122 1
3 143 . 11 1 1 A 17 17 VAL CB C 17 32.200 33.322 -1.122 1
3 146 . 11 1 1 A 18 18 ALA HA H 18 4.240 4.399 -0.159 1
3 150 . 11 1 1 A 18 18 ALA CA C 18 53.200 51.203 1.997 1
3 151 . 11 1 1 A 18 18 ALA CB C 18 19.900 17.692 2.208 1
3 152 . 11 1 1 A 19 19 GLN HA H 19 4.310 3.946 0.364 1
3 157 . 11 1 1 A 19 19 GLN CA C 19 55.100 59.905 -4.805 1
3 158 . 11 1 1 A 19 19 GLN CB C 19 31.100 28.739 2.361 1
3 160 . 11 1 1 A 20 20 GLN HA H 20 4.590 4.359 0.231 1
3 165 . 11 1 1 A 20 20 GLN CA C 20 53.900 55.487 -1.587 1
3 166 . 11 1 1 A 20 20 GLN CB C 20 32.400 29.393 3.007 1
3 168 . 11 1 1 A 21 21 GLU HA H 21 4.100 4.092 0.008 1
3 173 . 11 1 1 A 21 21 GLU CA C 21 59.500 58.983 0.517 1
3 174 . 11 1 1 A 21 21 GLU CB C 21 29.700 29.167 0.533 1
3 176 . 11 1 1 A 22 22 GLN HA H 22 4.550 4.013 0.537 1
3 181 . 11 1 1 A 22 22 GLN CA C 22 56.600 59.156 -2.556 1
3 182 . 11 1 1 A 22 22 GLN CB C 22 28.000 28.706 -0.706 1
3 184 . 11 1 1 A 23 23 GLU HA H 23 5.340 4.555 0.785 1
3 189 . 11 1 1 A 23 23 GLU CA C 23 55.500 57.050 -1.550 1
3 190 . 11 1 1 A 23 23 GLU CB C 23 32.400 30.986 1.414 1
3 192 . 11 1 1 A 24 24 LEU HA H 24 4.690 5.226 -0.536 1
3 202 . 11 1 1 A 24 24 LEU CA C 24 53.100 53.567 -0.467 1
3 203 . 11 1 1 A 24 24 LEU CB C 24 46.500 45.447 1.053 1
3 207 . 11 1 1 A 25 25 ASP HA H 25 5.170 5.203 -0.033 1
3 210 . 11 1 1 A 25 25 ASP CA C 25 54.100 53.608 0.492 1
3 211 . 11 1 1 A 25 25 ASP CB C 25 42.300 41.591 0.709 1
3 212 . 11 1 1 A 26 26 ILE HA H 26 5.130 5.266 -0.136 1
3 222 . 11 1 1 A 26 26 ILE CA C 26 59.600 58.901 0.699 1
3 223 . 11 1 1 A 26 26 ILE CB C 26 42.400 42.079 0.321 1
3 227 . 11 1 1 A 27 27 LYS HA H 27 5.100 4.809 0.291 1
3 236 . 11 1 1 A 27 27 LYS CA C 27 52.800 55.135 -2.335 1
3 237 . 11 1 1 A 27 27 LYS CB C 27 35.400 36.550 -1.150 1
3 241 . 11 1 1 A 28 28 LYS HA H 28 3.120 3.920 -0.800 1
3 250 . 11 1 1 A 28 28 LYS CA C 28 59.100 58.214 0.886 1
3 251 . 11 1 1 A 28 28 LYS CB C 28 32.500 32.128 0.372 1
3 255 . 11 1 1 A 29 29 ASN HA H 29 4.180 4.164 0.016 1
3 258 . 11 1 1 A 29 29 ASN CA C 29 55.800 54.403 1.397 1
3 259 . 11 1 1 A 29 29 ASN CB C 29 37.300 37.140 0.160 1
3 260 . 11 1 1 A 30 30 GLU HA H 30 4.170 4.839 -0.669 1
3 265 . 11 1 1 A 30 30 GLU CA C 30 57.600 54.965 2.635 1
3 266 . 11 1 1 A 30 30 GLU CB C 30 31.700 32.345 -0.645 1
3 268 . 11 1 1 A 31 31 ARG HA H 31 4.580 4.306 0.274 1
3 275 . 11 1 1 A 31 31 ARG CA C 31 56.200 56.469 -0.269 1
3 276 . 11 1 1 A 31 31 ARG CB C 31 30.800 30.808 -0.008 1
3 279 . 11 1 1 A 32 32 LEU HA H 32 4.860 4.551 0.309 1
3 289 . 11 1 1 A 32 32 LEU CA C 32 53.200 53.351 -0.151 1
3 290 . 11 1 1 A 32 32 LEU CB C 32 46.300 46.493 -0.193 1
3 294 . 11 1 1 A 33 33 TRP HA H 33 5.100 5.367 -0.267 1
3 297 . 11 1 1 A 33 33 TRP CA C 33 58.300 56.223 2.077 1
3 298 . 11 1 1 A 33 33 TRP CB C 33 31.000 30.984 0.016 1
3 299 . 11 1 1 A 34 34 LEU HA H 34 4.340 4.474 -0.134 1
3 309 . 11 1 1 A 34 34 LEU CA C 34 55.500 55.490 0.010 1
3 310 . 11 1 1 A 34 34 LEU CB C 34 43.700 42.614 1.086 1
3 314 . 11 1 1 A 35 35 LEU HA H 35 4.620 4.360 0.260 1
3 324 . 11 1 1 A 35 35 LEU CA C 35 55.400 56.075 -0.675 1
3 325 . 11 1 1 A 35 35 LEU CB C 35 42.700 42.733 -0.033 1
3 329 . 11 1 1 A 36 36 ASP HA H 36 4.760 4.887 -0.127 1
3 332 . 11 1 1 A 36 36 ASP CA C 36 55.300 52.816 2.484 1
3 333 . 11 1 1 A 36 36 ASP CB C 36 43.400 42.814 0.586 1
3 334 . 11 1 1 A 37 37 ASP HA H 37 3.940 4.650 -0.710 1
3 337 . 11 1 1 A 37 37 ASP CA C 37 51.900 52.430 -0.530 1
3 338 . 11 1 1 A 37 37 ASP CB C 37 40.000 39.574 0.426 1
3 339 . 11 1 1 A 38 38 SER HA H 38 4.210 4.605 -0.395 1
3 342 . 11 1 1 A 38 38 SER CA C 38 61.400 59.934 1.466 1
3 343 . 11 1 1 A 38 38 SER CB C 38 63.900 64.299 -0.399 1
3 344 . 11 1 1 A 39 39 LYS HA H 39 4.910 4.456 0.454 1
3 353 . 11 1 1 A 39 39 LYS CA C 39 55.000 56.068 -1.068 1
3 354 . 11 1 1 A 39 39 LYS CB C 39 34.200 33.249 0.951 1
3 358 . 11 1 1 A 40 40 SER HA H 40 4.310 4.188 0.122 1
3 361 . 11 1 1 A 40 40 SER CA C 40 60.700 62.489 -1.789 1
3 362 . 11 1 1 A 40 40 SER CB C 40 63.100 63.052 0.048 1
3 363 . 11 1 1 A 41 41 TRP HA H 41 4.860 5.030 -0.170 1
3 366 . 11 1 1 A 41 41 TRP CA C 41 56.600 56.199 0.401 1
3 367 . 11 1 1 A 41 41 TRP CB C 41 29.500 30.106 -0.606 1
3 368 . 11 1 1 A 42 42 TRP HA H 42 5.450 5.153 0.297 1
3 371 . 11 1 1 A 42 42 TRP CA C 42 54.200 57.301 -3.101 1
3 372 . 11 1 1 A 42 42 TRP CB C 42 30.900 29.703 1.197 1
3 373 . 11 1 1 A 43 43 ARG HA H 43 4.550 4.495 0.055 1
3 380 . 11 1 1 A 43 43 ARG CA C 43 55.400 56.090 -0.690 1
3 381 . 11 1 1 A 43 43 ARG CB C 43 32.200 30.561 1.639 1
3 384 . 11 1 1 A 44 44 VAL HA H 44 5.520 5.227 0.293 1
3 392 . 11 1 1 A 44 44 VAL CA C 44 58.800 58.709 0.091 1
3 393 . 11 1 1 A 44 44 VAL CB C 44 36.500 36.199 0.301 1
3 396 . 11 1 1 A 45 45 ARG HA H 45 5.530 5.336 0.194 1
3 403 . 11 1 1 A 45 45 ARG CA C 45 53.600 53.970 -0.370 1
3 404 . 11 1 1 A 45 45 ARG CB C 45 35.400 34.045 1.355 1
3 407 . 11 1 1 A 46 46 ASN HA H 46 5.490 5.352 0.138 1
3 410 . 11 1 1 A 46 46 ASN CA C 46 50.600 51.578 -0.978 1
3 411 . 11 1 1 A 46 46 ASN CB C 46 40.900 41.520 -0.620 1
3 412 . 11 1 1 A 47 47 SER HA H 47 4.320 4.468 -0.148 1
3 415 . 11 1 1 A 47 47 SER CA C 47 61.500 61.752 -0.252 1
3 416 . 11 1 1 A 47 47 SER CB C 47 63.000 62.837 0.163 1
3 417 . 11 1 1 A 48 48 MET HA H 48 4.730 4.573 0.157 1
3 425 . 11 1 1 A 48 48 MET CA C 48 54.400 55.791 -1.391 1
3 426 . 11 1 1 A 48 48 MET CB C 48 31.700 33.247 -1.547 1
3 429 . 11 1 1 A 49 49 ASN HA H 49 4.200 4.516 -0.316 1
3 432 . 11 1 1 A 49 49 ASN CA C 49 54.800 54.404 0.396 1
3 433 . 11 1 1 A 49 49 ASN CB C 49 37.000 36.549 0.451 1
3 434 . 11 1 1 A 50 50 LYS HA H 50 4.560 4.286 0.274 1
3 443 . 11 1 1 A 50 50 LYS CA C 50 55.600 56.613 -1.013 1
3 444 . 11 1 1 A 50 50 LYS CB C 50 33.300 33.706 -0.406 1
3 448 . 11 1 1 A 51 51 THR HA H 51 5.740 5.232 0.508 1
3 453 . 11 1 1 A 51 51 THR CA C 51 59.200 60.245 -1.045 1
3 454 . 11 1 1 A 51 51 THR CB C 51 71.700 72.302 -0.602 1
3 456 . 11 1 1 A 52 52 GLY HA2 H 52 4.090 4.197 -0.107 1
3 457 . 11 1 1 A 52 52 GLY HA3 H 52 3.920 4.254 -0.334 1
3 458 . 11 1 1 A 52 52 GLY CA C 52 45.600 45.482 0.118 1
3 459 . 11 1 1 A 53 53 PHE HA H 53 5.870 5.057 0.813 1
3 462 . 11 1 1 A 53 53 PHE CA C 53 57.900 58.381 -0.481 1
3 463 . 11 1 1 A 53 53 PHE CB C 53 42.800 40.357 2.443 1
3 464 . 11 1 1 A 54 54 VAL HA H 54 4.790 5.050 -0.260 1
3 472 . 11 1 1 A 54 54 VAL CA C 54 57.500 58.323 -0.823 1
3 473 . 11 1 1 A 54 54 VAL CB C 54 33.300 34.716 -1.416 1
3 476 . 11 1 1 A 55 55 PRO HA H 55 3.230 4.372 -1.142 1
3 483 . 11 1 1 A 55 55 PRO CA C 55 62.300 62.263 0.037 1
3 484 . 11 1 1 A 55 55 PRO CB C 55 30.400 31.292 -0.892 1
3 487 . 11 1 1 A 57 57 ASN HA H 57 4.480 4.389 0.091 1
3 490 . 11 1 1 A 57 57 ASN CA C 57 53.700 55.342 -1.642 1
3 491 . 11 1 1 A 57 57 ASN CB C 57 36.600 38.224 -1.624 1
3 492 . 11 1 1 A 58 58 TYR HA H 58 4.460 4.692 -0.232 1
3 495 . 11 1 1 A 58 58 TYR CA C 58 59.000 58.867 0.133 1
3 496 . 11 1 1 A 58 58 TYR CB C 58 38.100 40.184 -2.084 1
3 497 . 11 1 1 A 59 59 VAL HA H 59 5.090 4.863 0.227 1
3 505 . 11 1 1 A 59 59 VAL CA C 59 58.600 59.813 -1.213 1
3 506 . 11 1 1 A 59 59 VAL CB C 59 35.500 34.986 0.514 1
3 509 . 11 1 1 A 60 60 GLU HA H 60 4.790 4.753 0.037 1
3 514 . 11 1 1 A 60 60 GLU CA C 60 54.300 55.586 -1.286 1
3 515 . 11 1 1 A 60 60 GLU CB C 60 33.300 33.523 -0.223 1
3 517 . 11 1 1 A 61 61 ARG HA H 61 4.540 4.362 0.178 1
3 524 . 11 1 1 A 61 61 ARG CA C 61 56.500 56.454 0.046 1
3 525 . 11 1 1 A 61 61 ARG CB C 61 31.200 30.705 0.495 1
3 528 . 11 1 1 A 62 62 LYS HA H 62 4.380 3.808 0.572 1
3 537 . 11 1 1 A 62 62 LYS CA C 62 55.900 60.178 -4.278 1
3 538 . 11 1 1 A 62 62 LYS CB C 62 33.200 32.148 1.052 1
3 542 . 11 1 1 A 63 63 ASN HA H 63 4.740 4.359 0.381 1
3 545 . 11 1 1 A 63 63 ASN CA C 63 53.200 53.883 -0.683 1
3 546 . 11 1 1 A 63 63 ASN CB C 63 39.000 37.040 1.960 1
3 547 . 11 1 1 A 64 64 SER HA H 64 4.430 4.529 -0.099 1
3 550 . 11 1 1 A 64 64 SER CA C 64 58.400 58.919 -0.519 1
3 551 . 11 1 1 A 64 64 SER CB C 64 63.900 64.037 -0.137 1
3 552 . 11 1 1 A 65 65 ALA HA H 65 4.330 4.392 -0.062 1
3 556 . 11 1 1 A 65 65 ALA CA C 65 52.700 52.157 0.543 1
3 557 . 11 1 1 A 65 65 ALA CB C 65 19.300 18.510 0.790 1
3 558 . 11 1 1 A 66 66 ARG HA H 66 4.300 4.856 -0.556 1
3 565 . 11 1 1 A 66 66 ARG CA C 66 56.000 54.005 1.995 1
3 566 . 11 1 1 A 66 66 ARG CB C 66 30.900 33.345 -2.445 1
3 569 . 11 1 1 A 67 67 ALA HA H 67 4.300 4.089 0.211 1
3 573 . 11 1 1 A 67 67 ALA CA C 67 52.400 54.639 -2.239 1
3 574 . 11 1 1 A 67 67 ALA CB C 67 19.200 18.494 0.706 1
3 575 . 11 1 1 A 69 69 ALA HA H 69 4.300 4.284 0.016 1
3 579 . 11 1 1 A 69 69 ALA CA C 69 52.400 52.823 -0.423 1
3 580 . 11 1 1 A 70 70 ASN HA H 70 4.750 5.230 -0.480 1
3 583 . 11 1 1 A 70 70 ASN CA C 70 53.300 51.486 1.814 1
3 584 . 11 1 1 A 70 70 ASN CB C 70 39.000 42.291 -3.291 1
3 585 . 11 1 1 A 71 71 SER HA H 71 4.520 4.190 0.330 1
3 588 . 11 1 1 A 71 71 SER CA C 71 58.300 59.402 -1.102 1
3 589 . 11 1 1 A 71 71 SER CB C 71 64.000 61.677 2.323 1
3 4 . 12 1 1 A 2 2 SER HA H 2 4.610 4.633 -0.023 1
3 7 . 12 1 1 A 2 2 SER CA C 2 58.200 58.477 -0.277 1
3 8 . 12 1 1 A 2 2 SER CB C 2 63.900 65.218 -1.318 1
3 9 . 12 1 1 A 3 3 THR HA H 3 4.380 4.390 -0.010 1
3 14 . 12 1 1 A 3 3 THR CA C 3 61.900 63.254 -1.354 1
3 15 . 12 1 1 A 3 3 THR CB C 3 69.700 69.725 -0.025 1
3 17 . 12 1 1 A 4 4 MET HA H 4 4.460 4.796 -0.336 1
3 25 . 12 1 1 A 4 4 MET CA C 4 55.400 54.528 0.872 1
3 26 . 12 1 1 A 4 4 MET CB C 4 32.900 37.761 -4.861 1
3 29 . 12 1 1 A 5 5 ALA HA H 5 4.300 4.316 -0.016 1
3 33 . 12 1 1 A 5 5 ALA CA C 5 52.600 51.796 0.804 1
3 34 . 12 1 1 A 5 5 ALA CB C 5 19.300 20.139 -0.839 1
3 35 . 12 1 1 A 6 6 GLU HA H 6 4.300 4.279 0.021 1
3 40 . 12 1 1 A 6 6 GLU CA C 6 56.100 57.225 -1.125 1
3 41 . 12 1 1 A 6 6 GLU CB C 6 30.700 29.932 0.768 1
3 43 . 12 1 1 A 7 7 GLU HA H 7 4.440 5.009 -0.569 1
3 48 . 12 1 1 A 7 7 GLU CA C 7 56.400 54.916 1.484 1
3 49 . 12 1 1 A 7 7 GLU CB C 7 30.700 33.462 -2.762 1
3 51 . 12 1 1 A 8 8 VAL HA H 8 4.210 4.941 -0.731 1
3 59 . 12 1 1 A 8 8 VAL CA C 8 62.200 61.145 1.055 1
3 60 . 12 1 1 A 8 8 VAL CB C 8 33.300 35.019 -1.719 1
3 63 . 12 1 1 A 9 9 VAL HA H 9 4.430 4.964 -0.534 1
3 71 . 12 1 1 A 9 9 VAL CA C 9 61.600 59.211 2.389 1
3 72 . 12 1 1 A 9 9 VAL CB C 9 32.900 34.648 -1.748 1
3 75 . 12 1 1 A 10 10 VAL HA H 10 4.990 5.374 -0.384 1
3 83 . 12 1 1 A 10 10 VAL CA C 10 58.200 59.652 -1.452 1
3 84 . 12 1 1 A 10 10 VAL CB C 10 35.100 36.007 -0.907 1
3 87 . 12 1 1 A 11 11 VAL HA H 11 5.010 5.069 -0.059 1
3 95 . 12 1 1 A 11 11 VAL CA C 11 59.500 59.789 -0.289 1
3 96 . 12 1 1 A 11 11 VAL CB C 11 35.100 34.035 1.065 1
3 99 . 12 1 1 A 12 12 ALA HA H 12 4.570 4.675 -0.105 1
3 103 . 12 1 1 A 12 12 ALA CA C 12 52.700 52.913 -0.213 1
3 104 . 12 1 1 A 12 12 ALA CB C 12 19.900 19.104 0.796 1
3 105 . 12 1 1 A 13 13 LYS HA H 13 3.850 4.245 -0.395 1
3 114 . 12 1 1 A 13 13 LYS CA C 13 57.200 56.494 0.706 1
3 115 . 12 1 1 A 13 13 LYS CB C 13 33.800 33.070 0.730 1
3 119 . 12 1 1 A 14 14 PHE HA H 14 4.820 5.021 -0.201 1
3 122 . 12 1 1 A 14 14 PHE CA C 14 53.600 56.608 -3.008 1
3 123 . 12 1 1 A 14 14 PHE CB C 14 43.600 43.577 0.023 1
3 124 . 12 1 1 A 15 15 ASP HA H 15 4.810 5.832 -1.022 1
3 127 . 12 1 1 A 15 15 ASP CA C 15 54.500 52.563 1.937 1
3 128 . 12 1 1 A 15 15 ASP CB C 15 41.700 44.161 -2.461 1
3 129 . 12 1 1 A 16 16 TYR HA H 16 4.770 5.206 -0.436 1
3 132 . 12 1 1 A 16 16 TYR CA C 16 59.300 57.595 1.705 1
3 133 . 12 1 1 A 16 16 TYR CB C 16 41.600 42.188 -0.588 1
3 134 . 12 1 1 A 17 17 VAL HA H 17 4.160 4.251 -0.091 1
3 142 . 12 1 1 A 17 17 VAL CA C 17 60.500 60.750 -0.250 1
3 143 . 12 1 1 A 17 17 VAL CB C 17 32.200 33.337 -1.137 1
3 146 . 12 1 1 A 18 18 ALA HA H 18 4.240 4.715 -0.475 1
3 150 . 12 1 1 A 18 18 ALA CA C 18 53.200 51.824 1.376 1
3 151 . 12 1 1 A 18 18 ALA CB C 18 19.900 18.653 1.247 1
3 152 . 12 1 1 A 19 19 GLN HA H 19 4.310 3.954 0.356 1
3 157 . 12 1 1 A 19 19 GLN CA C 19 55.100 59.518 -4.418 1
3 158 . 12 1 1 A 19 19 GLN CB C 19 31.100 28.750 2.350 1
3 160 . 12 1 1 A 20 20 GLN HA H 20 4.590 4.588 0.002 1
3 165 . 12 1 1 A 20 20 GLN CA C 20 53.900 55.021 -1.121 1
3 166 . 12 1 1 A 20 20 GLN CB C 20 32.400 30.555 1.845 1
3 168 . 12 1 1 A 21 21 GLU HA H 21 4.100 4.075 0.025 1
3 173 . 12 1 1 A 21 21 GLU CA C 21 59.500 58.718 0.782 1
3 174 . 12 1 1 A 21 21 GLU CB C 21 29.700 29.156 0.544 1
3 176 . 12 1 1 A 22 22 GLN HA H 22 4.550 4.091 0.459 1
3 181 . 12 1 1 A 22 22 GLN CA C 22 56.600 58.846 -2.246 1
3 182 . 12 1 1 A 22 22 GLN CB C 22 28.000 28.382 -0.382 1
3 184 . 12 1 1 A 23 23 GLU HA H 23 5.340 4.598 0.742 1
3 189 . 12 1 1 A 23 23 GLU CA C 23 55.500 56.737 -1.237 1
3 190 . 12 1 1 A 23 23 GLU CB C 23 32.400 30.928 1.472 1
3 192 . 12 1 1 A 24 24 LEU HA H 24 4.690 5.201 -0.511 1
3 202 . 12 1 1 A 24 24 LEU CA C 24 53.100 53.714 -0.614 1
3 203 . 12 1 1 A 24 24 LEU CB C 24 46.500 45.344 1.156 1
3 207 . 12 1 1 A 25 25 ASP HA H 25 5.170 4.867 0.303 1
3 210 . 12 1 1 A 25 25 ASP CA C 25 54.100 54.304 -0.204 1
3 211 . 12 1 1 A 25 25 ASP CB C 25 42.300 41.209 1.091 1
3 212 . 12 1 1 A 26 26 ILE HA H 26 5.130 5.280 -0.150 1
3 222 . 12 1 1 A 26 26 ILE CA C 26 59.600 58.873 0.727 1
3 223 . 12 1 1 A 26 26 ILE CB C 26 42.400 42.068 0.332 1
3 227 . 12 1 1 A 27 27 LYS HA H 27 5.100 4.817 0.283 1
3 236 . 12 1 1 A 27 27 LYS CA C 27 52.800 55.131 -2.331 1
3 237 . 12 1 1 A 27 27 LYS CB C 27 35.400 36.568 -1.168 1
3 241 . 12 1 1 A 28 28 LYS HA H 28 3.120 3.942 -0.822 1
3 250 . 12 1 1 A 28 28 LYS CA C 28 59.100 58.268 0.832 1
3 251 . 12 1 1 A 28 28 LYS CB C 28 32.500 32.113 0.387 1
3 255 . 12 1 1 A 29 29 ASN HA H 29 4.180 4.195 -0.015 1
3 258 . 12 1 1 A 29 29 ASN CA C 29 55.800 54.503 1.297 1
3 259 . 12 1 1 A 29 29 ASN CB C 29 37.300 37.325 -0.025 1
3 260 . 12 1 1 A 30 30 GLU HA H 30 4.170 4.823 -0.653 1
3 265 . 12 1 1 A 30 30 GLU CA C 30 57.600 55.172 2.428 1
3 266 . 12 1 1 A 30 30 GLU CB C 30 31.700 32.210 -0.510 1
3 268 . 12 1 1 A 31 31 ARG HA H 31 4.580 4.609 -0.029 1
3 275 . 12 1 1 A 31 31 ARG CA C 31 56.200 55.871 0.329 1
3 276 . 12 1 1 A 31 31 ARG CB C 31 30.800 30.556 0.244 1
3 279 . 12 1 1 A 32 32 LEU HA H 32 4.860 4.525 0.335 1
3 289 . 12 1 1 A 32 32 LEU CA C 32 53.200 53.406 -0.206 1
3 290 . 12 1 1 A 32 32 LEU CB C 32 46.300 45.879 0.421 1
3 294 . 12 1 1 A 33 33 TRP HA H 33 5.100 5.182 -0.082 1
3 297 . 12 1 1 A 33 33 TRP CA C 33 58.300 56.478 1.822 1
3 298 . 12 1 1 A 33 33 TRP CB C 33 31.000 30.423 0.577 1
3 299 . 12 1 1 A 34 34 LEU HA H 34 4.340 4.399 -0.059 1
3 309 . 12 1 1 A 34 34 LEU CA C 34 55.500 55.752 -0.252 1
3 310 . 12 1 1 A 34 34 LEU CB C 34 43.700 42.583 1.117 1
3 314 . 12 1 1 A 35 35 LEU HA H 35 4.620 4.491 0.129 1
3 324 . 12 1 1 A 35 35 LEU CA C 35 55.400 55.818 -0.418 1
3 325 . 12 1 1 A 35 35 LEU CB C 35 42.700 43.678 -0.978 1
3 329 . 12 1 1 A 36 36 ASP HA H 36 4.760 4.943 -0.183 1
3 332 . 12 1 1 A 36 36 ASP CA C 36 55.300 53.864 1.436 1
3 333 . 12 1 1 A 36 36 ASP CB C 36 43.400 42.875 0.525 1
3 334 . 12 1 1 A 37 37 ASP HA H 37 3.940 4.285 -0.345 1
3 337 . 12 1 1 A 37 37 ASP CA C 37 51.900 52.224 -0.324 1
3 338 . 12 1 1 A 37 37 ASP CB C 37 40.000 39.421 0.579 1
3 339 . 12 1 1 A 38 38 SER HA H 38 4.210 4.622 -0.412 1
3 342 . 12 1 1 A 38 38 SER CA C 38 61.400 59.574 1.826 1
3 343 . 12 1 1 A 38 38 SER CB C 38 63.900 64.601 -0.701 1
3 344 . 12 1 1 A 39 39 LYS HA H 39 4.910 4.459 0.451 1
3 353 . 12 1 1 A 39 39 LYS CA C 39 55.000 56.159 -1.159 1
3 354 . 12 1 1 A 39 39 LYS CB C 39 34.200 33.314 0.886 1
3 358 . 12 1 1 A 40 40 SER HA H 40 4.310 4.229 0.081 1
3 361 . 12 1 1 A 40 40 SER CA C 40 60.700 61.878 -1.178 1
3 362 . 12 1 1 A 40 40 SER CB C 40 63.100 63.414 -0.314 1
3 363 . 12 1 1 A 41 41 TRP HA H 41 4.860 4.870 -0.010 1
3 366 . 12 1 1 A 41 41 TRP CA C 41 56.600 56.489 0.111 1
3 367 . 12 1 1 A 41 41 TRP CB C 41 29.500 29.950 -0.450 1
3 368 . 12 1 1 A 42 42 TRP HA H 42 5.450 5.010 0.440 1
3 371 . 12 1 1 A 42 42 TRP CA C 42 54.200 57.770 -3.570 1
3 372 . 12 1 1 A 42 42 TRP CB C 42 30.900 29.289 1.611 1
3 373 . 12 1 1 A 43 43 ARG HA H 43 4.550 4.487 0.063 1
3 380 . 12 1 1 A 43 43 ARG CA C 43 55.400 56.141 -0.741 1
3 381 . 12 1 1 A 43 43 ARG CB C 43 32.200 30.095 2.105 1
3 384 . 12 1 1 A 44 44 VAL HA H 44 5.520 5.195 0.325 1
3 392 . 12 1 1 A 44 44 VAL CA C 44 58.800 58.731 0.069 1
3 393 . 12 1 1 A 44 44 VAL CB C 44 36.500 35.669 0.831 1
3 396 . 12 1 1 A 45 45 ARG HA H 45 5.530 5.281 0.249 1
3 403 . 12 1 1 A 45 45 ARG CA C 45 53.600 53.949 -0.349 1
3 404 . 12 1 1 A 45 45 ARG CB C 45 35.400 33.661 1.739 1
3 407 . 12 1 1 A 46 46 ASN HA H 46 5.490 5.418 0.072 1
3 410 . 12 1 1 A 46 46 ASN CA C 46 50.600 51.542 -0.942 1
3 411 . 12 1 1 A 46 46 ASN CB C 46 40.900 41.518 -0.618 1
3 412 . 12 1 1 A 47 47 SER HA H 47 4.320 4.438 -0.118 1
3 415 . 12 1 1 A 47 47 SER CA C 47 61.500 61.894 -0.394 1
3 416 . 12 1 1 A 47 47 SER CB C 47 63.000 62.735 0.265 1
3 417 . 12 1 1 A 48 48 MET HA H 48 4.730 4.583 0.147 1
3 425 . 12 1 1 A 48 48 MET CA C 48 54.400 55.814 -1.414 1
3 426 . 12 1 1 A 48 48 MET CB C 48 31.700 33.257 -1.557 1
3 429 . 12 1 1 A 49 49 ASN HA H 49 4.200 4.448 -0.248 1
3 432 . 12 1 1 A 49 49 ASN CA C 49 54.800 54.346 0.454 1
3 433 . 12 1 1 A 49 49 ASN CB C 49 37.000 36.531 0.469 1
3 434 . 12 1 1 A 50 50 LYS HA H 50 4.560 4.311 0.249 1
3 443 . 12 1 1 A 50 50 LYS CA C 50 55.600 56.488 -0.888 1
3 444 . 12 1 1 A 50 50 LYS CB C 50 33.300 33.068 0.232 1
3 448 . 12 1 1 A 51 51 THR HA H 51 5.740 5.222 0.518 1
3 453 . 12 1 1 A 51 51 THR CA C 51 59.200 60.337 -1.137 1
3 454 . 12 1 1 A 51 51 THR CB C 51 71.700 71.100 0.600 1
3 456 . 12 1 1 A 52 52 GLY HA2 H 52 4.090 4.348 -0.258 1
3 457 . 12 1 1 A 52 52 GLY HA3 H 52 3.920 4.406 -0.486 1
3 458 . 12 1 1 A 52 52 GLY CA C 52 45.600 44.020 1.580 1
3 459 . 12 1 1 A 53 53 PHE HA H 53 5.870 4.997 0.873 1
3 462 . 12 1 1 A 53 53 PHE CA C 53 57.900 58.539 -0.639 1
3 463 . 12 1 1 A 53 53 PHE CB C 53 42.800 40.228 2.572 1
3 464 . 12 1 1 A 54 54 VAL HA H 54 4.790 5.188 -0.398 1
3 472 . 12 1 1 A 54 54 VAL CA C 54 57.500 58.285 -0.785 1
3 473 . 12 1 1 A 54 54 VAL CB C 54 33.300 34.553 -1.253 1
3 476 . 12 1 1 A 55 55 PRO HA H 55 3.230 4.312 -1.082 1
3 483 . 12 1 1 A 55 55 PRO CA C 55 62.300 62.363 -0.063 1
3 484 . 12 1 1 A 55 55 PRO CB C 55 30.400 32.265 -1.865 1
3 487 . 12 1 1 A 57 57 ASN HA H 57 4.480 4.530 -0.050 1
3 490 . 12 1 1 A 57 57 ASN CA C 57 53.700 54.270 -0.570 1
3 491 . 12 1 1 A 57 57 ASN CB C 57 36.600 39.094 -2.494 1
3 492 . 12 1 1 A 58 58 TYR HA H 58 4.460 4.705 -0.245 1
3 495 . 12 1 1 A 58 58 TYR CA C 58 59.000 58.909 0.091 1
3 496 . 12 1 1 A 58 58 TYR CB C 58 38.100 39.580 -1.480 1
3 497 . 12 1 1 A 59 59 VAL HA H 59 5.090 4.894 0.196 1
3 505 . 12 1 1 A 59 59 VAL CA C 59 58.600 59.301 -0.701 1
3 506 . 12 1 1 A 59 59 VAL CB C 59 35.500 35.408 0.092 1
3 509 . 12 1 1 A 60 60 GLU HA H 60 4.790 4.728 0.062 1
3 514 . 12 1 1 A 60 60 GLU CA C 60 54.300 55.535 -1.235 1
3 515 . 12 1 1 A 60 60 GLU CB C 60 33.300 33.595 -0.295 1
3 517 . 12 1 1 A 61 61 ARG HA H 61 4.540 4.603 -0.063 1
3 524 . 12 1 1 A 61 61 ARG CA C 61 56.500 56.426 0.074 1
3 525 . 12 1 1 A 61 61 ARG CB C 61 31.200 30.660 0.540 1
3 528 . 12 1 1 A 62 62 LYS HA H 62 4.380 3.819 0.561 1
3 537 . 12 1 1 A 62 62 LYS CA C 62 55.900 59.838 -3.938 1
3 538 . 12 1 1 A 62 62 LYS CB C 62 33.200 32.702 0.498 1
3 542 . 12 1 1 A 63 63 ASN HA H 63 4.740 4.832 -0.092 1
3 545 . 12 1 1 A 63 63 ASN CA C 63 53.200 52.113 1.087 1
3 546 . 12 1 1 A 63 63 ASN CB C 63 39.000 38.637 0.363 1
3 547 . 12 1 1 A 64 64 SER HA H 64 4.430 4.361 0.069 1
3 550 . 12 1 1 A 64 64 SER CA C 64 58.400 59.349 -0.949 1
3 551 . 12 1 1 A 64 64 SER CB C 64 63.900 61.959 1.941 1
3 552 . 12 1 1 A 65 65 ALA HA H 65 4.330 5.026 -0.696 1
3 556 . 12 1 1 A 65 65 ALA CA C 65 52.700 50.701 1.999 1
3 557 . 12 1 1 A 65 65 ALA CB C 65 19.300 20.105 -0.805 1
3 558 . 12 1 1 A 66 66 ARG HA H 66 4.300 4.455 -0.155 1
3 565 . 12 1 1 A 66 66 ARG CA C 66 56.000 55.647 0.353 1
3 566 . 12 1 1 A 66 66 ARG CB C 66 30.900 31.208 -0.308 1
3 569 . 12 1 1 A 67 67 ALA HA H 67 4.300 4.047 0.253 1
3 573 . 12 1 1 A 67 67 ALA CA C 67 52.400 55.255 -2.855 1
3 574 . 12 1 1 A 67 67 ALA CB C 67 19.200 18.025 1.175 1
3 575 . 12 1 1 A 69 69 ALA HA H 69 4.300 4.143 0.157 1
3 579 . 12 1 1 A 69 69 ALA CA C 69 52.400 52.641 -0.241 1
3 580 . 12 1 1 A 70 70 ASN HA H 70 4.750 5.250 -0.500 1
3 583 . 12 1 1 A 70 70 ASN CA C 70 53.300 52.183 1.117 1
3 584 . 12 1 1 A 70 70 ASN CB C 70 39.000 42.443 -3.443 1
3 585 . 12 1 1 A 71 71 SER HA H 71 4.520 5.072 -0.552 1
3 588 . 12 1 1 A 71 71 SER CA C 71 58.300 56.858 1.442 1
3 589 . 12 1 1 A 71 71 SER CB C 71 64.000 66.958 -2.958 1
3 4 . 13 1 1 A 2 2 SER HA H 2 4.610 4.969 -0.359 1
3 7 . 13 1 1 A 2 2 SER CA C 2 58.200 57.196 1.004 1
3 8 . 13 1 1 A 2 2 SER CB C 2 63.900 63.795 0.105 1
3 9 . 13 1 1 A 3 3 THR HA H 3 4.380 4.315 0.065 1
3 14 . 13 1 1 A 3 3 THR CA C 3 61.900 62.824 -0.924 1
3 15 . 13 1 1 A 3 3 THR CB C 3 69.700 69.248 0.452 1
3 17 . 13 1 1 A 4 4 MET HA H 4 4.460 4.216 0.244 1
3 25 . 13 1 1 A 4 4 MET CA C 4 55.400 56.348 -0.948 1
3 26 . 13 1 1 A 4 4 MET CB C 4 32.900 33.758 -0.858 1
3 29 . 13 1 1 A 5 5 ALA HA H 5 4.300 4.420 -0.120 1
3 33 . 13 1 1 A 5 5 ALA CA C 5 52.600 51.930 0.670 1
3 34 . 13 1 1 A 5 5 ALA CB C 5 19.300 18.950 0.350 1
3 35 . 13 1 1 A 6 6 GLU HA H 6 4.300 4.646 -0.346 1
3 40 . 13 1 1 A 6 6 GLU CA C 6 56.100 55.754 0.346 1
3 41 . 13 1 1 A 6 6 GLU CB C 6 30.700 30.328 0.372 1
3 43 . 13 1 1 A 7 7 GLU HA H 7 4.440 4.923 -0.483 1
3 48 . 13 1 1 A 7 7 GLU CA C 7 56.400 54.869 1.531 1
3 49 . 13 1 1 A 7 7 GLU CB C 7 30.700 34.133 -3.433 1
3 51 . 13 1 1 A 8 8 VAL HA H 8 4.210 4.883 -0.673 1
3 59 . 13 1 1 A 8 8 VAL CA C 8 62.200 61.088 1.112 1
3 60 . 13 1 1 A 8 8 VAL CB C 8 33.300 34.945 -1.645 1
3 63 . 13 1 1 A 9 9 VAL HA H 9 4.430 4.969 -0.539 1
3 71 . 13 1 1 A 9 9 VAL CA C 9 61.600 59.467 2.133 1
3 72 . 13 1 1 A 9 9 VAL CB C 9 32.900 34.733 -1.833 1
3 75 . 13 1 1 A 10 10 VAL HA H 10 4.990 5.376 -0.386 1
3 83 . 13 1 1 A 10 10 VAL CA C 10 58.200 59.072 -0.872 1
3 84 . 13 1 1 A 10 10 VAL CB C 10 35.100 34.949 0.151 1
3 87 . 13 1 1 A 11 11 VAL HA H 11 5.010 4.956 0.054 1
3 95 . 13 1 1 A 11 11 VAL CA C 11 59.500 59.528 -0.028 1
3 96 . 13 1 1 A 11 11 VAL CB C 11 35.100 34.392 0.708 1
3 99 . 13 1 1 A 12 12 ALA HA H 12 4.570 4.815 -0.245 1
3 103 . 13 1 1 A 12 12 ALA CA C 12 52.700 51.355 1.345 1
3 104 . 13 1 1 A 12 12 ALA CB C 12 19.900 19.582 0.318 1
3 105 . 13 1 1 A 13 13 LYS HA H 13 3.850 4.238 -0.388 1
3 114 . 13 1 1 A 13 13 LYS CA C 13 57.200 56.407 0.793 1
3 115 . 13 1 1 A 13 13 LYS CB C 13 33.800 32.871 0.929 1
3 119 . 13 1 1 A 14 14 PHE HA H 14 4.820 5.071 -0.251 1
3 122 . 13 1 1 A 14 14 PHE CA C 14 53.600 56.733 -3.133 1
3 123 . 13 1 1 A 14 14 PHE CB C 14 43.600 43.794 -0.194 1
3 124 . 13 1 1 A 15 15 ASP HA H 15 4.810 5.754 -0.944 1
3 127 . 13 1 1 A 15 15 ASP CA C 15 54.500 52.827 1.673 1
3 128 . 13 1 1 A 15 15 ASP CB C 15 41.700 43.471 -1.771 1
3 129 . 13 1 1 A 16 16 TYR HA H 16 4.770 5.287 -0.517 1
3 132 . 13 1 1 A 16 16 TYR CA C 16 59.300 57.004 2.296 1
3 133 . 13 1 1 A 16 16 TYR CB C 16 41.600 42.196 -0.596 1
3 134 . 13 1 1 A 17 17 VAL HA H 17 4.160 4.225 -0.065 1
3 142 . 13 1 1 A 17 17 VAL CA C 17 60.500 60.812 -0.312 1
3 143 . 13 1 1 A 17 17 VAL CB C 17 32.200 33.012 -0.812 1
3 146 . 13 1 1 A 18 18 ALA HA H 18 4.240 4.697 -0.457 1
3 150 . 13 1 1 A 18 18 ALA CA C 18 53.200 52.052 1.148 1
3 151 . 13 1 1 A 18 18 ALA CB C 18 19.900 18.902 0.998 1
3 152 . 13 1 1 A 19 19 GLN HA H 19 4.310 3.956 0.354 1
3 157 . 13 1 1 A 19 19 GLN CA C 19 55.100 59.895 -4.795 1
3 158 . 13 1 1 A 19 19 GLN CB C 19 31.100 28.906 2.194 1
3 160 . 13 1 1 A 20 20 GLN HA H 20 4.590 4.380 0.210 1
3 165 . 13 1 1 A 20 20 GLN CA C 20 53.900 55.237 -1.337 1
3 166 . 13 1 1 A 20 20 GLN CB C 20 32.400 29.365 3.035 1
3 168 . 13 1 1 A 21 21 GLU HA H 21 4.100 4.064 0.036 1
3 173 . 13 1 1 A 21 21 GLU CA C 21 59.500 58.589 0.911 1
3 174 . 13 1 1 A 21 21 GLU CB C 21 29.700 29.195 0.505 1
3 176 . 13 1 1 A 22 22 GLN HA H 22 4.550 4.121 0.429 1
3 181 . 13 1 1 A 22 22 GLN CA C 22 56.600 58.469 -1.869 1
3 182 . 13 1 1 A 22 22 GLN CB C 22 28.000 28.883 -0.883 1
3 184 . 13 1 1 A 23 23 GLU HA H 23 5.340 4.535 0.805 1
3 189 . 13 1 1 A 23 23 GLU CA C 23 55.500 57.000 -1.500 1
3 190 . 13 1 1 A 23 23 GLU CB C 23 32.400 30.773 1.627 1
3 192 . 13 1 1 A 24 24 LEU HA H 24 4.690 5.199 -0.509 1
3 202 . 13 1 1 A 24 24 LEU CA C 24 53.100 53.425 -0.325 1
3 203 . 13 1 1 A 24 24 LEU CB C 24 46.500 45.391 1.109 1
3 207 . 13 1 1 A 25 25 ASP HA H 25 5.170 4.953 0.217 1
3 210 . 13 1 1 A 25 25 ASP CA C 25 54.100 54.064 0.036 1
3 211 . 13 1 1 A 25 25 ASP CB C 25 42.300 41.230 1.070 1
3 212 . 13 1 1 A 26 26 ILE HA H 26 5.130 5.276 -0.146 1
3 222 . 13 1 1 A 26 26 ILE CA C 26 59.600 58.874 0.726 1
3 223 . 13 1 1 A 26 26 ILE CB C 26 42.400 42.334 0.066 1
3 227 . 13 1 1 A 27 27 LYS HA H 27 5.100 4.818 0.282 1
3 236 . 13 1 1 A 27 27 LYS CA C 27 52.800 55.178 -2.378 1
3 237 . 13 1 1 A 27 27 LYS CB C 27 35.400 36.571 -1.171 1
3 241 . 13 1 1 A 28 28 LYS HA H 28 3.120 3.967 -0.847 1
3 250 . 13 1 1 A 28 28 LYS CA C 28 59.100 58.279 0.821 1
3 251 . 13 1 1 A 28 28 LYS CB C 28 32.500 32.195 0.305 1
3 255 . 13 1 1 A 29 29 ASN HA H 29 4.180 4.139 0.041 1
3 258 . 13 1 1 A 29 29 ASN CA C 29 55.800 54.287 1.513 1
3 259 . 13 1 1 A 29 29 ASN CB C 29 37.300 37.163 0.137 1
3 260 . 13 1 1 A 30 30 GLU HA H 30 4.170 4.927 -0.757 1
3 265 . 13 1 1 A 30 30 GLU CA C 30 57.600 54.971 2.629 1
3 266 . 13 1 1 A 30 30 GLU CB C 30 31.700 32.517 -0.817 1
3 268 . 13 1 1 A 31 31 ARG HA H 31 4.580 4.658 -0.078 1
3 275 . 13 1 1 A 31 31 ARG CA C 31 56.200 55.755 0.445 1
3 276 . 13 1 1 A 31 31 ARG CB C 31 30.800 30.994 -0.194 1
3 279 . 13 1 1 A 32 32 LEU HA H 32 4.860 4.587 0.273 1
3 289 . 13 1 1 A 32 32 LEU CA C 32 53.200 53.189 0.011 1
3 290 . 13 1 1 A 32 32 LEU CB C 32 46.300 45.730 0.570 1
3 294 . 13 1 1 A 33 33 TRP HA H 33 5.100 5.259 -0.159 1
3 297 . 13 1 1 A 33 33 TRP CA C 33 58.300 56.486 1.814 1
3 298 . 13 1 1 A 33 33 TRP CB C 33 31.000 30.874 0.126 1
3 299 . 13 1 1 A 34 34 LEU HA H 34 4.340 4.415 -0.075 1
3 309 . 13 1 1 A 34 34 LEU CA C 34 55.500 55.761 -0.261 1
3 310 . 13 1 1 A 34 34 LEU CB C 34 43.700 42.442 1.258 1
3 314 . 13 1 1 A 35 35 LEU HA H 35 4.620 4.436 0.184 1
3 324 . 13 1 1 A 35 35 LEU CA C 35 55.400 56.050 -0.650 1
3 325 . 13 1 1 A 35 35 LEU CB C 35 42.700 42.930 -0.230 1
3 329 . 13 1 1 A 36 36 ASP HA H 36 4.760 4.878 -0.118 1
3 332 . 13 1 1 A 36 36 ASP CA C 36 55.300 52.814 2.486 1
3 333 . 13 1 1 A 36 36 ASP CB C 36 43.400 42.815 0.585 1
3 334 . 13 1 1 A 37 37 ASP HA H 37 3.940 4.620 -0.680 1
3 337 . 13 1 1 A 37 37 ASP CA C 37 51.900 52.439 -0.539 1
3 338 . 13 1 1 A 37 37 ASP CB C 37 40.000 39.642 0.358 1
3 339 . 13 1 1 A 38 38 SER HA H 38 4.210 4.652 -0.442 1
3 342 . 13 1 1 A 38 38 SER CA C 38 61.400 60.005 1.395 1
3 343 . 13 1 1 A 38 38 SER CB C 38 63.900 64.820 -0.920 1
3 344 . 13 1 1 A 39 39 LYS HA H 39 4.910 4.445 0.465 1
3 353 . 13 1 1 A 39 39 LYS CA C 39 55.000 56.071 -1.071 1
3 354 . 13 1 1 A 39 39 LYS CB C 39 34.200 33.449 0.751 1
3 358 . 13 1 1 A 40 40 SER HA H 40 4.310 4.215 0.095 1
3 361 . 13 1 1 A 40 40 SER CA C 40 60.700 61.911 -1.211 1
3 362 . 13 1 1 A 40 40 SER CB C 40 63.100 63.524 -0.424 1
3 363 . 13 1 1 A 41 41 TRP HA H 41 4.860 4.797 0.063 1
3 366 . 13 1 1 A 41 41 TRP CA C 41 56.600 57.117 -0.517 1
3 367 . 13 1 1 A 41 41 TRP CB C 41 29.500 29.678 -0.178 1
3 368 . 13 1 1 A 42 42 TRP HA H 42 5.450 5.132 0.318 1
3 371 . 13 1 1 A 42 42 TRP CA C 42 54.200 57.660 -3.460 1
3 372 . 13 1 1 A 42 42 TRP CB C 42 30.900 29.572 1.328 1
3 373 . 13 1 1 A 43 43 ARG HA H 43 4.550 4.556 -0.006 1
3 380 . 13 1 1 A 43 43 ARG CA C 43 55.400 56.044 -0.644 1
3 381 . 13 1 1 A 43 43 ARG CB C 43 32.200 30.468 1.732 1
3 384 . 13 1 1 A 44 44 VAL HA H 44 5.520 5.183 0.337 1
3 392 . 13 1 1 A 44 44 VAL CA C 44 58.800 58.787 0.013 1
3 393 . 13 1 1 A 44 44 VAL CB C 44 36.500 36.234 0.266 1
3 396 . 13 1 1 A 45 45 ARG HA H 45 5.530 5.450 0.080 1
3 403 . 13 1 1 A 45 45 ARG CA C 45 53.600 54.047 -0.447 1
3 404 . 13 1 1 A 45 45 ARG CB C 45 35.400 34.171 1.229 1
3 407 . 13 1 1 A 46 46 ASN HA H 46 5.490 5.292 0.198 1
3 410 . 13 1 1 A 46 46 ASN CA C 46 50.600 51.511 -0.911 1
3 411 . 13 1 1 A 46 46 ASN CB C 46 40.900 41.112 -0.212 1
3 412 . 13 1 1 A 47 47 SER HA H 47 4.320 4.372 -0.052 1
3 415 . 13 1 1 A 47 47 SER CA C 47 61.500 61.337 0.163 1
3 416 . 13 1 1 A 47 47 SER CB C 47 63.000 63.198 -0.198 1
3 417 . 13 1 1 A 48 48 MET HA H 48 4.730 4.582 0.148 1
3 425 . 13 1 1 A 48 48 MET CA C 48 54.400 55.769 -1.369 1
3 426 . 13 1 1 A 48 48 MET CB C 48 31.700 33.284 -1.584 1
3 429 . 13 1 1 A 49 49 ASN HA H 49 4.200 4.451 -0.251 1
3 432 . 13 1 1 A 49 49 ASN CA C 49 54.800 54.339 0.461 1
3 433 . 13 1 1 A 49 49 ASN CB C 49 37.000 36.528 0.472 1
3 434 . 13 1 1 A 50 50 LYS HA H 50 4.560 4.284 0.276 1
3 443 . 13 1 1 A 50 50 LYS CA C 50 55.600 56.581 -0.981 1
3 444 . 13 1 1 A 50 50 LYS CB C 50 33.300 33.605 -0.305 1
3 448 . 13 1 1 A 51 51 THR HA H 51 5.740 5.355 0.385 1
3 453 . 13 1 1 A 51 51 THR CA C 51 59.200 60.143 -0.943 1
3 454 . 13 1 1 A 51 51 THR CB C 51 71.700 72.141 -0.441 1
3 456 . 13 1 1 A 52 52 GLY HA2 H 52 4.090 4.239 -0.149 1
3 457 . 13 1 1 A 52 52 GLY HA3 H 52 3.920 4.300 -0.380 1
3 458 . 13 1 1 A 52 52 GLY CA C 52 45.600 45.348 0.252 1
3 459 . 13 1 1 A 53 53 PHE HA H 53 5.870 5.210 0.660 1
3 462 . 13 1 1 A 53 53 PHE CA C 53 57.900 57.891 0.009 1
3 463 . 13 1 1 A 53 53 PHE CB C 53 42.800 41.186 1.614 1
3 464 . 13 1 1 A 54 54 VAL HA H 54 4.790 5.031 -0.241 1
3 472 . 13 1 1 A 54 54 VAL CA C 54 57.500 58.389 -0.889 1
3 473 . 13 1 1 A 54 54 VAL CB C 54 33.300 34.924 -1.624 1
3 476 . 13 1 1 A 55 55 PRO HA H 55 3.230 4.335 -1.105 1
3 483 . 13 1 1 A 55 55 PRO CA C 55 62.300 62.550 -0.250 1
3 484 . 13 1 1 A 55 55 PRO CB C 55 30.400 32.043 -1.643 1
3 487 . 13 1 1 A 57 57 ASN HA H 57 4.480 4.534 -0.054 1
3 490 . 13 1 1 A 57 57 ASN CA C 57 53.700 55.531 -1.831 1
3 491 . 13 1 1 A 57 57 ASN CB C 57 36.600 38.493 -1.893 1
3 492 . 13 1 1 A 58 58 TYR HA H 58 4.460 4.620 -0.160 1
3 495 . 13 1 1 A 58 58 TYR CA C 58 59.000 59.104 -0.104 1
3 496 . 13 1 1 A 58 58 TYR CB C 58 38.100 40.245 -2.145 1
3 497 . 13 1 1 A 59 59 VAL HA H 59 5.090 5.027 0.063 1
3 505 . 13 1 1 A 59 59 VAL CA C 59 58.600 59.719 -1.119 1
3 506 . 13 1 1 A 59 59 VAL CB C 59 35.500 34.312 1.188 1
3 509 . 13 1 1 A 60 60 GLU HA H 60 4.790 4.853 -0.063 1
3 514 . 13 1 1 A 60 60 GLU CA C 60 54.300 55.578 -1.278 1
3 515 . 13 1 1 A 60 60 GLU CB C 60 33.300 33.753 -0.453 1
3 517 . 13 1 1 A 61 61 ARG HA H 61 4.540 4.563 -0.023 1
3 524 . 13 1 1 A 61 61 ARG CA C 61 56.500 57.492 -0.992 1
3 525 . 13 1 1 A 61 61 ARG CB C 61 31.200 30.609 0.591 1
3 528 . 13 1 1 A 62 62 LYS HA H 62 4.380 4.096 0.284 1
3 537 . 13 1 1 A 62 62 LYS CA C 62 55.900 57.136 -1.236 1
3 538 . 13 1 1 A 62 62 LYS CB C 62 33.200 33.511 -0.311 1
3 542 . 13 1 1 A 63 63 ASN HA H 63 4.740 4.822 -0.082 1
3 545 . 13 1 1 A 63 63 ASN CA C 63 53.200 53.404 -0.204 1
3 546 . 13 1 1 A 63 63 ASN CB C 63 39.000 40.361 -1.361 1
3 547 . 13 1 1 A 64 64 SER HA H 64 4.430 4.025 0.405 1
3 550 . 13 1 1 A 64 64 SER CA C 64 58.400 61.578 -3.178 1
3 551 . 13 1 1 A 64 64 SER CB C 64 63.900 62.999 0.901 1
3 552 . 13 1 1 A 65 65 ALA HA H 65 4.330 4.192 0.138 1
3 556 . 13 1 1 A 65 65 ALA CA C 65 52.700 52.526 0.174 1
3 557 . 13 1 1 A 65 65 ALA CB C 65 19.300 18.554 0.746 1
3 558 . 13 1 1 A 66 66 ARG HA H 66 4.300 4.011 0.289 1
3 565 . 13 1 1 A 66 66 ARG CA C 66 56.000 56.358 -0.358 1
3 566 . 13 1 1 A 66 66 ARG CB C 66 30.900 28.880 2.020 1
3 569 . 13 1 1 A 67 67 ALA HA H 67 4.300 3.998 0.302 1
3 573 . 13 1 1 A 67 67 ALA CA C 67 52.400 55.103 -2.703 1
3 574 . 13 1 1 A 67 67 ALA CB C 67 19.200 18.257 0.943 1
3 575 . 13 1 1 A 69 69 ALA HA H 69 4.300 4.154 0.146 1
3 579 . 13 1 1 A 69 69 ALA CA C 69 52.400 52.934 -0.534 1
3 580 . 13 1 1 A 70 70 ASN HA H 70 4.750 4.705 0.045 1
3 583 . 13 1 1 A 70 70 ASN CA C 70 53.300 53.526 -0.226 1
3 584 . 13 1 1 A 70 70 ASN CB C 70 39.000 38.026 0.974 1
3 585 . 13 1 1 A 71 71 SER HA H 71 4.520 4.799 -0.279 1
3 588 . 13 1 1 A 71 71 SER CA C 71 58.300 58.523 -0.223 1
3 589 . 13 1 1 A 71 71 SER CB C 71 64.000 63.933 0.067 1
3 4 . 14 1 1 A 2 2 SER HA H 2 4.610 3.898 0.712 1
3 7 . 14 1 1 A 2 2 SER CA C 2 58.200 58.810 -0.610 1
3 8 . 14 1 1 A 2 2 SER CB C 2 63.900 61.773 2.127 1
3 9 . 14 1 1 A 3 3 THR HA H 3 4.380 4.239 0.141 1
3 14 . 14 1 1 A 3 3 THR CA C 3 61.900 63.554 -1.654 1
3 15 . 14 1 1 A 3 3 THR CB C 3 69.700 68.866 0.834 1
3 17 . 14 1 1 A 4 4 MET HA H 4 4.460 4.446 0.014 1
3 25 . 14 1 1 A 4 4 MET CA C 4 55.400 58.215 -2.815 1
3 26 . 14 1 1 A 4 4 MET CB C 4 32.900 33.759 -0.859 1
3 29 . 14 1 1 A 5 5 ALA HA H 5 4.300 4.281 0.019 1
3 33 . 14 1 1 A 5 5 ALA CA C 5 52.600 52.185 0.415 1
3 34 . 14 1 1 A 5 5 ALA CB C 5 19.300 19.741 -0.441 1
3 35 . 14 1 1 A 6 6 GLU HA H 6 4.300 3.903 0.397 1
3 40 . 14 1 1 A 6 6 GLU CA C 6 56.100 57.282 -1.182 1
3 41 . 14 1 1 A 6 6 GLU CB C 6 30.700 28.148 2.552 1
3 43 . 14 1 1 A 7 7 GLU HA H 7 4.440 4.803 -0.363 1
3 48 . 14 1 1 A 7 7 GLU CA C 7 56.400 56.189 0.211 1
3 49 . 14 1 1 A 7 7 GLU CB C 7 30.700 34.101 -3.401 1
3 51 . 14 1 1 A 8 8 VAL HA H 8 4.210 4.853 -0.643 1
3 59 . 14 1 1 A 8 8 VAL CA C 8 62.200 60.626 1.574 1
3 60 . 14 1 1 A 8 8 VAL CB C 8 33.300 35.774 -2.474 1
3 63 . 14 1 1 A 9 9 VAL HA H 9 4.430 4.947 -0.517 1
3 71 . 14 1 1 A 9 9 VAL CA C 9 61.600 59.269 2.331 1
3 72 . 14 1 1 A 9 9 VAL CB C 9 32.900 34.644 -1.744 1
3 75 . 14 1 1 A 10 10 VAL HA H 10 4.990 5.266 -0.276 1
3 83 . 14 1 1 A 10 10 VAL CA C 10 58.200 59.466 -1.266 1
3 84 . 14 1 1 A 10 10 VAL CB C 10 35.100 35.300 -0.200 1
3 87 . 14 1 1 A 11 11 VAL HA H 11 5.010 4.626 0.384 1
3 95 . 14 1 1 A 11 11 VAL CA C 11 59.500 59.976 -0.476 1
3 96 . 14 1 1 A 11 11 VAL CB C 11 35.100 33.552 1.548 1
3 99 . 14 1 1 A 12 12 ALA HA H 12 4.570 4.384 0.186 1
3 103 . 14 1 1 A 12 12 ALA CA C 12 52.700 52.749 -0.049 1
3 104 . 14 1 1 A 12 12 ALA CB C 12 19.900 19.099 0.801 1
3 105 . 14 1 1 A 13 13 LYS HA H 13 3.850 4.319 -0.469 1
3 114 . 14 1 1 A 13 13 LYS CA C 13 57.200 56.195 1.005 1
3 115 . 14 1 1 A 13 13 LYS CB C 13 33.800 33.081 0.719 1
3 119 . 14 1 1 A 14 14 PHE HA H 14 4.820 5.091 -0.271 1
3 122 . 14 1 1 A 14 14 PHE CA C 14 53.600 56.769 -3.169 1
3 123 . 14 1 1 A 14 14 PHE CB C 14 43.600 44.120 -0.520 1
3 124 . 14 1 1 A 15 15 ASP HA H 15 4.810 5.777 -0.967 1
3 127 . 14 1 1 A 15 15 ASP CA C 15 54.500 52.519 1.981 1
3 128 . 14 1 1 A 15 15 ASP CB C 15 41.700 43.284 -1.584 1
3 129 . 14 1 1 A 16 16 TYR HA H 16 4.770 5.121 -0.351 1
3 132 . 14 1 1 A 16 16 TYR CA C 16 59.300 56.089 3.211 1
3 133 . 14 1 1 A 16 16 TYR CB C 16 41.600 42.006 -0.406 1
3 134 . 14 1 1 A 17 17 VAL HA H 17 4.160 4.257 -0.097 1
3 142 . 14 1 1 A 17 17 VAL CA C 17 60.500 60.517 -0.017 1
3 143 . 14 1 1 A 17 17 VAL CB C 17 32.200 33.560 -1.360 1
3 146 . 14 1 1 A 18 18 ALA HA H 18 4.240 4.370 -0.130 1
3 150 . 14 1 1 A 18 18 ALA CA C 18 53.200 51.208 1.992 1
3 151 . 14 1 1 A 18 18 ALA CB C 18 19.900 17.692 2.208 1
3 152 . 14 1 1 A 19 19 GLN HA H 19 4.310 3.946 0.364 1
3 157 . 14 1 1 A 19 19 GLN CA C 19 55.100 59.596 -4.496 1
3 158 . 14 1 1 A 19 19 GLN CB C 19 31.100 28.694 2.406 1
3 160 . 14 1 1 A 20 20 GLN HA H 20 4.590 4.340 0.250 1
3 165 . 14 1 1 A 20 20 GLN CA C 20 53.900 55.487 -1.587 1
3 166 . 14 1 1 A 20 20 GLN CB C 20 32.400 30.118 2.282 1
3 168 . 14 1 1 A 21 21 GLU HA H 21 4.100 4.091 0.009 1
3 173 . 14 1 1 A 21 21 GLU CA C 21 59.500 58.819 0.681 1
3 174 . 14 1 1 A 21 21 GLU CB C 21 29.700 29.131 0.569 1
3 176 . 14 1 1 A 22 22 GLN HA H 22 4.550 4.058 0.492 1
3 181 . 14 1 1 A 22 22 GLN CA C 22 56.600 58.936 -2.336 1
3 182 . 14 1 1 A 22 22 GLN CB C 22 28.000 28.840 -0.840 1
3 184 . 14 1 1 A 23 23 GLU HA H 23 5.340 4.552 0.788 1
3 189 . 14 1 1 A 23 23 GLU CA C 23 55.500 57.086 -1.586 1
3 190 . 14 1 1 A 23 23 GLU CB C 23 32.400 30.766 1.634 1
3 192 . 14 1 1 A 24 24 LEU HA H 24 4.690 5.251 -0.561 1
3 202 . 14 1 1 A 24 24 LEU CA C 24 53.100 53.596 -0.496 1
3 203 . 14 1 1 A 24 24 LEU CB C 24 46.500 44.956 1.544 1
3 207 . 14 1 1 A 25 25 ASP HA H 25 5.170 5.190 -0.020 1
3 210 . 14 1 1 A 25 25 ASP CA C 25 54.100 53.435 0.665 1
3 211 . 14 1 1 A 25 25 ASP CB C 25 42.300 41.965 0.335 1
3 212 . 14 1 1 A 26 26 ILE HA H 26 5.130 5.221 -0.091 1
3 222 . 14 1 1 A 26 26 ILE CA C 26 59.600 58.874 0.726 1
3 223 . 14 1 1 A 26 26 ILE CB C 26 42.400 42.031 0.369 1
3 227 . 14 1 1 A 27 27 LYS HA H 27 5.100 4.800 0.300 1
3 236 . 14 1 1 A 27 27 LYS CA C 27 52.800 55.152 -2.352 1
3 237 . 14 1 1 A 27 27 LYS CB C 27 35.400 36.546 -1.146 1
3 241 . 14 1 1 A 28 28 LYS HA H 28 3.120 4.170 -1.050 1
3 250 . 14 1 1 A 28 28 LYS CA C 28 59.100 58.340 0.760 1
3 251 . 14 1 1 A 28 28 LYS CB C 28 32.500 32.217 0.283 1
3 255 . 14 1 1 A 29 29 ASN HA H 29 4.180 4.195 -0.015 1
3 258 . 14 1 1 A 29 29 ASN CA C 29 55.800 54.523 1.277 1
3 259 . 14 1 1 A 29 29 ASN CB C 29 37.300 37.419 -0.119 1
3 260 . 14 1 1 A 30 30 GLU HA H 30 4.170 4.926 -0.756 1
3 265 . 14 1 1 A 30 30 GLU CA C 30 57.600 54.971 2.629 1
3 266 . 14 1 1 A 30 30 GLU CB C 30 31.700 32.596 -0.896 1
3 268 . 14 1 1 A 31 31 ARG HA H 31 4.580 4.617 -0.037 1
3 275 . 14 1 1 A 31 31 ARG CA C 31 56.200 55.981 0.219 1
3 276 . 14 1 1 A 31 31 ARG CB C 31 30.800 30.829 -0.029 1
3 279 . 14 1 1 A 32 32 LEU HA H 32 4.860 4.593 0.267 1
3 289 . 14 1 1 A 32 32 LEU CA C 32 53.200 52.873 0.327 1
3 290 . 14 1 1 A 32 32 LEU CB C 32 46.300 45.359 0.941 1
3 294 . 14 1 1 A 33 33 TRP HA H 33 5.100 5.279 -0.179 1
3 297 . 14 1 1 A 33 33 TRP CA C 33 58.300 55.943 2.357 1
3 298 . 14 1 1 A 33 33 TRP CB C 33 31.000 30.462 0.538 1
3 299 . 14 1 1 A 34 34 LEU HA H 34 4.340 4.425 -0.085 1
3 309 . 14 1 1 A 34 34 LEU CA C 34 55.500 55.682 -0.182 1
3 310 . 14 1 1 A 34 34 LEU CB C 34 43.700 42.420 1.280 1
3 314 . 14 1 1 A 35 35 LEU HA H 35 4.620 4.318 0.302 1
3 324 . 14 1 1 A 35 35 LEU CA C 35 55.400 56.306 -0.906 1
3 325 . 14 1 1 A 35 35 LEU CB C 35 42.700 42.289 0.411 1
3 329 . 14 1 1 A 36 36 ASP HA H 36 4.760 4.976 -0.216 1
3 332 . 14 1 1 A 36 36 ASP CA C 36 55.300 52.910 2.390 1
3 333 . 14 1 1 A 36 36 ASP CB C 36 43.400 42.681 0.719 1
3 334 . 14 1 1 A 37 37 ASP HA H 37 3.940 4.617 -0.677 1
3 337 . 14 1 1 A 37 37 ASP CA C 37 51.900 52.372 -0.472 1
3 338 . 14 1 1 A 37 37 ASP CB C 37 40.000 39.519 0.481 1
3 339 . 14 1 1 A 38 38 SER HA H 38 4.210 4.571 -0.361 1
3 342 . 14 1 1 A 38 38 SER CA C 38 61.400 60.383 1.017 1
3 343 . 14 1 1 A 38 38 SER CB C 38 63.900 64.385 -0.485 1
3 344 . 14 1 1 A 39 39 LYS HA H 39 4.910 4.436 0.474 1
3 353 . 14 1 1 A 39 39 LYS CA C 39 55.000 56.041 -1.041 1
3 354 . 14 1 1 A 39 39 LYS CB C 39 34.200 33.558 0.642 1
3 358 . 14 1 1 A 40 40 SER HA H 40 4.310 4.181 0.129 1
3 361 . 14 1 1 A 40 40 SER CA C 40 60.700 62.582 -1.882 1
3 362 . 14 1 1 A 40 40 SER CB C 40 63.100 63.229 -0.129 1
3 363 . 14 1 1 A 41 41 TRP HA H 41 4.860 4.835 0.025 1
3 366 . 14 1 1 A 41 41 TRP CA C 41 56.600 57.222 -0.622 1
3 367 . 14 1 1 A 41 41 TRP CB C 41 29.500 30.021 -0.521 1
3 368 . 14 1 1 A 42 42 TRP HA H 42 5.450 5.151 0.299 1
3 371 . 14 1 1 A 42 42 TRP CA C 42 54.200 57.356 -3.156 1
3 372 . 14 1 1 A 42 42 TRP CB C 42 30.900 29.553 1.347 1
3 373 . 14 1 1 A 43 43 ARG HA H 43 4.550 4.575 -0.025 1
3 380 . 14 1 1 A 43 43 ARG CA C 43 55.400 55.901 -0.501 1
3 381 . 14 1 1 A 43 43 ARG CB C 43 32.200 30.051 2.149 1
3 384 . 14 1 1 A 44 44 VAL HA H 44 5.520 5.159 0.361 1
3 392 . 14 1 1 A 44 44 VAL CA C 44 58.800 58.664 0.136 1
3 393 . 14 1 1 A 44 44 VAL CB C 44 36.500 36.063 0.437 1
3 396 . 14 1 1 A 45 45 ARG HA H 45 5.530 5.324 0.206 1
3 403 . 14 1 1 A 45 45 ARG CA C 45 53.600 53.847 -0.247 1
3 404 . 14 1 1 A 45 45 ARG CB C 45 35.400 33.878 1.522 1
3 407 . 14 1 1 A 46 46 ASN HA H 46 5.490 5.431 0.059 1
3 410 . 14 1 1 A 46 46 ASN CA C 46 50.600 51.317 -0.717 1
3 411 . 14 1 1 A 46 46 ASN CB C 46 40.900 41.759 -0.859 1
3 412 . 14 1 1 A 47 47 SER HA H 47 4.320 4.534 -0.214 1
3 415 . 14 1 1 A 47 47 SER CA C 47 61.500 61.710 -0.210 1
3 416 . 14 1 1 A 47 47 SER CB C 47 63.000 62.870 0.130 1
3 417 . 14 1 1 A 48 48 MET HA H 48 4.730 4.586 0.144 1
3 425 . 14 1 1 A 48 48 MET CA C 48 54.400 55.804 -1.404 1
3 426 . 14 1 1 A 48 48 MET CB C 48 31.700 33.298 -1.598 1
3 429 . 14 1 1 A 49 49 ASN HA H 49 4.200 4.480 -0.280 1
3 432 . 14 1 1 A 49 49 ASN CA C 49 54.800 54.361 0.439 1
3 433 . 14 1 1 A 49 49 ASN CB C 49 37.000 36.542 0.458 1
3 434 . 14 1 1 A 50 50 LYS HA H 50 4.560 4.390 0.170 1
3 443 . 14 1 1 A 50 50 LYS CA C 50 55.600 56.490 -0.890 1
3 444 . 14 1 1 A 50 50 LYS CB C 50 33.300 34.139 -0.839 1
3 448 . 14 1 1 A 51 51 THR HA H 51 5.740 5.147 0.593 1
3 453 . 14 1 1 A 51 51 THR CA C 51 59.200 60.140 -0.940 1
3 454 . 14 1 1 A 51 51 THR CB C 51 71.700 73.029 -1.329 1
3 456 . 14 1 1 A 52 52 GLY HA2 H 52 4.090 4.161 -0.071 1
3 457 . 14 1 1 A 52 52 GLY HA3 H 52 3.920 4.217 -0.297 1
3 458 . 14 1 1 A 52 52 GLY CA C 52 45.600 45.559 0.041 1
3 459 . 14 1 1 A 53 53 PHE HA H 53 5.870 5.179 0.691 1
3 462 . 14 1 1 A 53 53 PHE CA C 53 57.900 58.170 -0.270 1
3 463 . 14 1 1 A 53 53 PHE CB C 53 42.800 40.621 2.179 1
3 464 . 14 1 1 A 54 54 VAL HA H 54 4.790 5.188 -0.398 1
3 472 . 14 1 1 A 54 54 VAL CA C 54 57.500 58.281 -0.781 1
3 473 . 14 1 1 A 54 54 VAL CB C 54 33.300 34.573 -1.273 1
3 476 . 14 1 1 A 55 55 PRO HA H 55 3.230 4.302 -1.072 1
3 483 . 14 1 1 A 55 55 PRO CA C 55 62.300 62.464 -0.164 1
3 484 . 14 1 1 A 55 55 PRO CB C 55 30.400 32.529 -2.129 1
3 487 . 14 1 1 A 57 57 ASN HA H 57 4.480 4.513 -0.033 1
3 490 . 14 1 1 A 57 57 ASN CA C 57 53.700 54.270 -0.570 1
3 491 . 14 1 1 A 57 57 ASN CB C 57 36.600 38.709 -2.109 1
3 492 . 14 1 1 A 58 58 TYR HA H 58 4.460 4.670 -0.210 1
3 495 . 14 1 1 A 58 58 TYR CA C 58 59.000 59.030 -0.030 1
3 496 . 14 1 1 A 58 58 TYR CB C 58 38.100 40.298 -2.198 1
3 497 . 14 1 1 A 59 59 VAL HA H 59 5.090 4.785 0.305 1
3 505 . 14 1 1 A 59 59 VAL CA C 59 58.600 59.650 -1.050 1
3 506 . 14 1 1 A 59 59 VAL CB C 59 35.500 35.025 0.475 1
3 509 . 14 1 1 A 60 60 GLU HA H 60 4.790 4.680 0.110 1
3 514 . 14 1 1 A 60 60 GLU CA C 60 54.300 55.920 -1.620 1
3 515 . 14 1 1 A 60 60 GLU CB C 60 33.300 33.366 -0.066 1
3 517 . 14 1 1 A 61 61 ARG HA H 61 4.540 4.493 0.047 1
3 524 . 14 1 1 A 61 61 ARG CA C 61 56.500 56.298 0.202 1
3 525 . 14 1 1 A 61 61 ARG CB C 61 31.200 30.533 0.667 1
3 528 . 14 1 1 A 62 62 LYS HA H 62 4.380 4.198 0.182 1
3 537 . 14 1 1 A 62 62 LYS CA C 62 55.900 56.921 -1.021 1
3 538 . 14 1 1 A 62 62 LYS CB C 62 33.200 33.336 -0.136 1
3 542 . 14 1 1 A 63 63 ASN HA H 63 4.740 5.015 -0.275 1
3 545 . 14 1 1 A 63 63 ASN CA C 63 53.200 53.362 -0.162 1
3 546 . 14 1 1 A 63 63 ASN CB C 63 39.000 40.803 -1.803 1
3 547 . 14 1 1 A 64 64 SER HA H 64 4.430 4.519 -0.089 1
3 550 . 14 1 1 A 64 64 SER CA C 64 58.400 58.484 -0.084 1
3 551 . 14 1 1 A 64 64 SER CB C 64 63.900 61.086 2.814 1
3 552 . 14 1 1 A 65 65 ALA HA H 65 4.330 4.728 -0.398 1
3 556 . 14 1 1 A 65 65 ALA CA C 65 52.700 50.938 1.762 1
3 557 . 14 1 1 A 65 65 ALA CB C 65 19.300 19.191 0.109 1
3 558 . 14 1 1 A 66 66 ARG HA H 66 4.300 4.810 -0.510 1
3 565 . 14 1 1 A 66 66 ARG CA C 66 56.000 54.073 1.927 1
3 566 . 14 1 1 A 66 66 ARG CB C 66 30.900 34.178 -3.278 1
3 569 . 14 1 1 A 67 67 ALA HA H 67 4.300 4.054 0.246 1
3 573 . 14 1 1 A 67 67 ALA CA C 67 52.400 55.144 -2.744 1
3 574 . 14 1 1 A 67 67 ALA CB C 67 19.200 18.004 1.196 1
3 575 . 14 1 1 A 69 69 ALA HA H 69 4.300 4.182 0.118 1
3 579 . 14 1 1 A 69 69 ALA CA C 69 52.400 53.018 -0.618 1
3 580 . 14 1 1 A 70 70 ASN HA H 70 4.750 4.698 0.052 1
3 583 . 14 1 1 A 70 70 ASN CA C 70 53.300 53.951 -0.651 1
3 584 . 14 1 1 A 70 70 ASN CB C 70 39.000 38.536 0.464 1
3 585 . 14 1 1 A 71 71 SER HA H 71 4.520 5.231 -0.711 1
3 588 . 14 1 1 A 71 71 SER CA C 71 58.300 57.006 1.294 1
3 589 . 14 1 1 A 71 71 SER CB C 71 64.000 65.576 -1.576 1
3 4 . 15 1 1 A 2 2 SER HA H 2 4.610 4.921 -0.311 1
3 7 . 15 1 1 A 2 2 SER CA C 2 58.200 57.928 0.272 1
3 8 . 15 1 1 A 2 2 SER CB C 2 63.900 63.645 0.255 1
3 9 . 15 1 1 A 3 3 THR HA H 3 4.380 4.247 0.133 1
3 14 . 15 1 1 A 3 3 THR CA C 3 61.900 63.274 -1.374 1
3 15 . 15 1 1 A 3 3 THR CB C 3 69.700 69.228 0.472 1
3 17 . 15 1 1 A 4 4 MET HA H 4 4.460 4.366 0.094 1
3 25 . 15 1 1 A 4 4 MET CA C 4 55.400 56.272 -0.872 1
3 26 . 15 1 1 A 4 4 MET CB C 4 32.900 33.377 -0.477 1
3 29 . 15 1 1 A 5 5 ALA HA H 5 4.300 4.047 0.253 1
3 33 . 15 1 1 A 5 5 ALA CA C 5 52.600 55.396 -2.796 1
3 34 . 15 1 1 A 5 5 ALA CB C 5 19.300 18.979 0.321 1
3 35 . 15 1 1 A 6 6 GLU HA H 6 4.300 3.976 0.324 1
3 40 . 15 1 1 A 6 6 GLU CA C 6 56.100 57.320 -1.220 1
3 41 . 15 1 1 A 6 6 GLU CB C 6 30.700 28.372 2.328 1
3 43 . 15 1 1 A 7 7 GLU HA H 7 4.440 4.996 -0.556 1
3 48 . 15 1 1 A 7 7 GLU CA C 7 56.400 54.666 1.734 1
3 49 . 15 1 1 A 7 7 GLU CB C 7 30.700 33.339 -2.639 1
3 51 . 15 1 1 A 8 8 VAL HA H 8 4.210 4.799 -0.589 1
3 59 . 15 1 1 A 8 8 VAL CA C 8 62.200 61.373 0.827 1
3 60 . 15 1 1 A 8 8 VAL CB C 8 33.300 33.591 -0.291 1
3 63 . 15 1 1 A 9 9 VAL HA H 9 4.430 5.073 -0.643 1
3 71 . 15 1 1 A 9 9 VAL CA C 9 61.600 59.809 1.791 1
3 72 . 15 1 1 A 9 9 VAL CB C 9 32.900 35.201 -2.301 1
3 75 . 15 1 1 A 10 10 VAL HA H 10 4.990 5.256 -0.266 1
3 83 . 15 1 1 A 10 10 VAL CA C 10 58.200 59.326 -1.126 1
3 84 . 15 1 1 A 10 10 VAL CB C 10 35.100 35.205 -0.105 1
3 87 . 15 1 1 A 11 11 VAL HA H 11 5.010 4.706 0.304 1
3 95 . 15 1 1 A 11 11 VAL CA C 11 59.500 59.712 -0.212 1
3 96 . 15 1 1 A 11 11 VAL CB C 11 35.100 34.108 0.992 1
3 99 . 15 1 1 A 12 12 ALA HA H 12 4.570 4.771 -0.201 1
3 103 . 15 1 1 A 12 12 ALA CA C 12 52.700 51.553 1.147 1
3 104 . 15 1 1 A 12 12 ALA CB C 12 19.900 19.447 0.453 1
3 105 . 15 1 1 A 13 13 LYS HA H 13 3.850 4.357 -0.507 1
3 114 . 15 1 1 A 13 13 LYS CA C 13 57.200 56.640 0.560 1
3 115 . 15 1 1 A 13 13 LYS CB C 13 33.800 34.151 -0.351 1
3 119 . 15 1 1 A 14 14 PHE HA H 14 4.820 5.251 -0.431 1
3 122 . 15 1 1 A 14 14 PHE CA C 14 53.600 56.898 -3.298 1
3 123 . 15 1 1 A 14 14 PHE CB C 14 43.600 43.264 0.336 1
3 124 . 15 1 1 A 15 15 ASP HA H 15 4.810 5.157 -0.347 1
3 127 . 15 1 1 A 15 15 ASP CA C 15 54.500 53.721 0.779 1
3 128 . 15 1 1 A 15 15 ASP CB C 15 41.700 41.934 -0.234 1
3 129 . 15 1 1 A 16 16 TYR HA H 16 4.770 5.234 -0.464 1
3 132 . 15 1 1 A 16 16 TYR CA C 16 59.300 56.857 2.443 1
3 133 . 15 1 1 A 16 16 TYR CB C 16 41.600 42.248 -0.648 1
3 134 . 15 1 1 A 17 17 VAL HA H 17 4.160 4.203 -0.043 1
3 142 . 15 1 1 A 17 17 VAL CA C 17 60.500 60.825 -0.325 1
3 143 . 15 1 1 A 17 17 VAL CB C 17 32.200 32.811 -0.611 1
3 146 . 15 1 1 A 18 18 ALA HA H 18 4.240 4.716 -0.476 1
3 150 . 15 1 1 A 18 18 ALA CA C 18 53.200 51.626 1.574 1
3 151 . 15 1 1 A 18 18 ALA CB C 18 19.900 18.265 1.635 1
3 152 . 15 1 1 A 19 19 GLN HA H 19 4.310 3.942 0.368 1
3 157 . 15 1 1 A 19 19 GLN CA C 19 55.100 59.422 -4.322 1
3 158 . 15 1 1 A 19 19 GLN CB C 19 31.100 28.604 2.496 1
3 160 . 15 1 1 A 20 20 GLN HA H 20 4.590 4.299 0.291 1
3 165 . 15 1 1 A 20 20 GLN CA C 20 53.900 55.648 -1.748 1
3 166 . 15 1 1 A 20 20 GLN CB C 20 32.400 29.376 3.024 1
3 168 . 15 1 1 A 21 21 GLU HA H 21 4.100 4.072 0.028 1
3 173 . 15 1 1 A 21 21 GLU CA C 21 59.500 58.851 0.649 1
3 174 . 15 1 1 A 21 21 GLU CB C 21 29.700 29.096 0.604 1
3 176 . 15 1 1 A 22 22 GLN HA H 22 4.550 4.072 0.478 1
3 181 . 15 1 1 A 22 22 GLN CA C 22 56.600 58.938 -2.338 1
3 182 . 15 1 1 A 22 22 GLN CB C 22 28.000 28.357 -0.357 1
3 184 . 15 1 1 A 23 23 GLU HA H 23 5.340 4.555 0.785 1
3 189 . 15 1 1 A 23 23 GLU CA C 23 55.500 57.023 -1.523 1
3 190 . 15 1 1 A 23 23 GLU CB C 23 32.400 30.706 1.694 1
3 192 . 15 1 1 A 24 24 LEU HA H 24 4.690 5.352 -0.662 1
3 202 . 15 1 1 A 24 24 LEU CA C 24 53.100 53.571 -0.471 1
3 203 . 15 1 1 A 24 24 LEU CB C 24 46.500 45.296 1.204 1
3 207 . 15 1 1 A 25 25 ASP HA H 25 5.170 5.208 -0.038 1
3 210 . 15 1 1 A 25 25 ASP CA C 25 54.100 53.700 0.400 1
3 211 . 15 1 1 A 25 25 ASP CB C 25 42.300 41.543 0.757 1
3 212 . 15 1 1 A 26 26 ILE HA H 26 5.130 5.262 -0.132 1
3 222 . 15 1 1 A 26 26 ILE CA C 26 59.600 58.876 0.724 1
3 223 . 15 1 1 A 26 26 ILE CB C 26 42.400 42.177 0.223 1
3 227 . 15 1 1 A 27 27 LYS HA H 27 5.100 4.801 0.299 1
3 236 . 15 1 1 A 27 27 LYS CA C 27 52.800 55.122 -2.322 1
3 237 . 15 1 1 A 27 27 LYS CB C 27 35.400 36.580 -1.180 1
3 241 . 15 1 1 A 28 28 LYS HA H 28 3.120 3.906 -0.786 1
3 250 . 15 1 1 A 28 28 LYS CA C 28 59.100 58.291 0.809 1
3 251 . 15 1 1 A 28 28 LYS CB C 28 32.500 32.042 0.458 1
3 255 . 15 1 1 A 29 29 ASN HA H 29 4.180 4.337 -0.157 1
3 258 . 15 1 1 A 29 29 ASN CA C 29 55.800 54.600 1.200 1
3 259 . 15 1 1 A 29 29 ASN CB C 29 37.300 37.042 0.258 1
3 260 . 15 1 1 A 30 30 GLU HA H 30 4.170 4.684 -0.514 1
3 265 . 15 1 1 A 30 30 GLU CA C 30 57.600 55.289 2.311 1
3 266 . 15 1 1 A 30 30 GLU CB C 30 31.700 31.761 -0.061 1
3 268 . 15 1 1 A 31 31 ARG HA H 31 4.580 4.486 0.094 1
3 275 . 15 1 1 A 31 31 ARG CA C 31 56.200 55.972 0.228 1
3 276 . 15 1 1 A 31 31 ARG CB C 31 30.800 30.525 0.275 1
3 279 . 15 1 1 A 32 32 LEU HA H 32 4.860 4.655 0.205 1
3 289 . 15 1 1 A 32 32 LEU CA C 32 53.200 53.510 -0.310 1
3 290 . 15 1 1 A 32 32 LEU CB C 32 46.300 45.503 0.797 1
3 294 . 15 1 1 A 33 33 TRP HA H 33 5.100 5.116 -0.016 1
3 297 . 15 1 1 A 33 33 TRP CA C 33 58.300 56.739 1.561 1
3 298 . 15 1 1 A 33 33 TRP CB C 33 31.000 31.040 -0.040 1
3 299 . 15 1 1 A 34 34 LEU HA H 34 4.340 4.567 -0.227 1
3 309 . 15 1 1 A 34 34 LEU CA C 34 55.500 54.741 0.759 1
3 310 . 15 1 1 A 34 34 LEU CB C 34 43.700 42.568 1.132 1
3 314 . 15 1 1 A 35 35 LEU HA H 35 4.620 4.376 0.244 1
3 324 . 15 1 1 A 35 35 LEU CA C 35 55.400 55.998 -0.598 1
3 325 . 15 1 1 A 35 35 LEU CB C 35 42.700 42.616 0.084 1
3 329 . 15 1 1 A 36 36 ASP HA H 36 4.760 5.022 -0.262 1
3 332 . 15 1 1 A 36 36 ASP CA C 36 55.300 53.279 2.021 1
3 333 . 15 1 1 A 36 36 ASP CB C 36 43.400 42.617 0.783 1
3 334 . 15 1 1 A 37 37 ASP HA H 37 3.940 4.794 -0.854 1
3 337 . 15 1 1 A 37 37 ASP CA C 37 51.900 52.494 -0.594 1
3 338 . 15 1 1 A 37 37 ASP CB C 37 40.000 39.668 0.332 1
3 339 . 15 1 1 A 38 38 SER HA H 38 4.210 4.535 -0.325 1
3 342 . 15 1 1 A 38 38 SER CA C 38 61.400 60.774 0.626 1
3 343 . 15 1 1 A 38 38 SER CB C 38 63.900 64.225 -0.325 1
3 344 . 15 1 1 A 39 39 LYS HA H 39 4.910 4.448 0.462 1
3 353 . 15 1 1 A 39 39 LYS CA C 39 55.000 56.010 -1.010 1
3 354 . 15 1 1 A 39 39 LYS CB C 39 34.200 33.340 0.860 1
3 358 . 15 1 1 A 40 40 SER HA H 40 4.310 4.202 0.108 1
3 361 . 15 1 1 A 40 40 SER CA C 40 60.700 61.835 -1.135 1
3 362 . 15 1 1 A 40 40 SER CB C 40 63.100 63.225 -0.125 1
3 363 . 15 1 1 A 41 41 TRP HA H 41 4.860 4.820 0.040 1
3 366 . 15 1 1 A 41 41 TRP CA C 41 56.600 56.653 -0.053 1
3 367 . 15 1 1 A 41 41 TRP CB C 41 29.500 29.879 -0.379 1
3 368 . 15 1 1 A 42 42 TRP HA H 42 5.450 5.156 0.294 1
3 371 . 15 1 1 A 42 42 TRP CA C 42 54.200 57.300 -3.100 1
3 372 . 15 1 1 A 42 42 TRP CB C 42 30.900 29.616 1.284 1
3 373 . 15 1 1 A 43 43 ARG HA H 43 4.550 4.813 -0.263 1
3 380 . 15 1 1 A 43 43 ARG CA C 43 55.400 56.108 -0.708 1
3 381 . 15 1 1 A 43 43 ARG CB C 43 32.200 30.350 1.850 1
3 384 . 15 1 1 A 44 44 VAL HA H 44 5.520 5.381 0.139 1
3 392 . 15 1 1 A 44 44 VAL CA C 44 58.800 58.724 0.076 1
3 393 . 15 1 1 A 44 44 VAL CB C 44 36.500 36.110 0.390 1
3 396 . 15 1 1 A 45 45 ARG HA H 45 5.530 5.376 0.154 1
3 403 . 15 1 1 A 45 45 ARG CA C 45 53.600 53.767 -0.167 1
3 404 . 15 1 1 A 45 45 ARG CB C 45 35.400 34.130 1.270 1
3 407 . 15 1 1 A 46 46 ASN HA H 46 5.490 5.333 0.157 1
3 410 . 15 1 1 A 46 46 ASN CA C 46 50.600 51.475 -0.875 1
3 411 . 15 1 1 A 46 46 ASN CB C 46 40.900 41.523 -0.623 1
3 412 . 15 1 1 A 47 47 SER HA H 47 4.320 4.497 -0.177 1
3 415 . 15 1 1 A 47 47 SER CA C 47 61.500 61.809 -0.309 1
3 416 . 15 1 1 A 47 47 SER CB C 47 63.000 62.827 0.173 1
3 417 . 15 1 1 A 48 48 MET HA H 48 4.730 4.587 0.143 1
3 425 . 15 1 1 A 48 48 MET CA C 48 54.400 55.828 -1.428 1
3 426 . 15 1 1 A 48 48 MET CB C 48 31.700 33.267 -1.567 1
3 429 . 15 1 1 A 49 49 ASN HA H 49 4.200 4.518 -0.318 1
3 432 . 15 1 1 A 49 49 ASN CA C 49 54.800 54.388 0.412 1
3 433 . 15 1 1 A 49 49 ASN CB C 49 37.000 36.563 0.437 1
3 434 . 15 1 1 A 50 50 LYS HA H 50 4.560 4.300 0.260 1
3 443 . 15 1 1 A 50 50 LYS CA C 50 55.600 56.644 -1.044 1
3 444 . 15 1 1 A 50 50 LYS CB C 50 33.300 33.398 -0.098 1
3 448 . 15 1 1 A 51 51 THR HA H 51 5.740 5.440 0.300 1
3 453 . 15 1 1 A 51 51 THR CA C 51 59.200 59.956 -0.756 1
3 454 . 15 1 1 A 51 51 THR CB C 51 71.700 72.228 -0.528 1
3 456 . 15 1 1 A 52 52 GLY HA2 H 52 4.090 4.253 -0.163 1
3 457 . 15 1 1 A 52 52 GLY HA3 H 52 3.920 4.321 -0.401 1
3 458 . 15 1 1 A 52 52 GLY CA C 52 45.600 45.408 0.192 1
3 459 . 15 1 1 A 53 53 PHE HA H 53 5.870 5.393 0.477 1
3 462 . 15 1 1 A 53 53 PHE CA C 53 57.900 57.537 0.363 1
3 463 . 15 1 1 A 53 53 PHE CB C 53 42.800 40.861 1.939 1
3 464 . 15 1 1 A 54 54 VAL HA H 54 4.790 5.226 -0.436 1
3 472 . 15 1 1 A 54 54 VAL CA C 54 57.500 58.297 -0.797 1
3 473 . 15 1 1 A 54 54 VAL CB C 54 33.300 34.703 -1.403 1
3 476 . 15 1 1 A 55 55 PRO HA H 55 3.230 4.391 -1.161 1
3 483 . 15 1 1 A 55 55 PRO CA C 55 62.300 62.169 0.131 1
3 484 . 15 1 1 A 55 55 PRO CB C 55 30.400 32.941 -2.541 1
3 487 . 15 1 1 A 57 57 ASN HA H 57 4.480 4.639 -0.159 1
3 490 . 15 1 1 A 57 57 ASN CA C 57 53.700 53.789 -0.089 1
3 491 . 15 1 1 A 57 57 ASN CB C 57 36.600 39.444 -2.844 1
3 492 . 15 1 1 A 58 58 TYR HA H 58 4.460 4.758 -0.298 1
3 495 . 15 1 1 A 58 58 TYR CA C 58 59.000 58.983 0.017 1
3 496 . 15 1 1 A 58 58 TYR CB C 58 38.100 40.158 -2.058 1
3 497 . 15 1 1 A 59 59 VAL HA H 59 5.090 5.150 -0.060 1
3 505 . 15 1 1 A 59 59 VAL CA C 59 58.600 59.396 -0.796 1
3 506 . 15 1 1 A 59 59 VAL CB C 59 35.500 34.862 0.638 1
3 509 . 15 1 1 A 60 60 GLU HA H 60 4.790 4.793 -0.003 1
3 514 . 15 1 1 A 60 60 GLU CA C 60 54.300 55.626 -1.326 1
3 515 . 15 1 1 A 60 60 GLU CB C 60 33.300 33.823 -0.523 1
3 517 . 15 1 1 A 61 61 ARG HA H 61 4.540 4.545 -0.005 1
3 524 . 15 1 1 A 61 61 ARG CA C 61 56.500 56.441 0.059 1
3 525 . 15 1 1 A 61 61 ARG CB C 61 31.200 30.678 0.522 1
3 528 . 15 1 1 A 62 62 LYS HA H 62 4.380 3.798 0.582 1
3 537 . 15 1 1 A 62 62 LYS CA C 62 55.900 59.882 -3.982 1
3 538 . 15 1 1 A 62 62 LYS CB C 62 33.200 32.355 0.845 1
3 542 . 15 1 1 A 63 63 ASN HA H 63 4.740 4.303 0.437 1
3 545 . 15 1 1 A 63 63 ASN CA C 63 53.200 54.281 -1.081 1
3 546 . 15 1 1 A 63 63 ASN CB C 63 39.000 37.128 1.872 1
3 547 . 15 1 1 A 64 64 SER HA H 64 4.430 4.636 -0.206 1
3 550 . 15 1 1 A 64 64 SER CA C 64 58.400 57.639 0.761 1
3 551 . 15 1 1 A 64 64 SER CB C 64 63.900 64.040 -0.140 1
3 552 . 15 1 1 A 65 65 ALA HA H 65 4.330 4.556 -0.226 1
3 556 . 15 1 1 A 65 65 ALA CA C 65 52.700 51.440 1.260 1
3 557 . 15 1 1 A 65 65 ALA CB C 65 19.300 19.380 -0.080 1
3 558 . 15 1 1 A 66 66 ARG HA H 66 4.300 4.742 -0.442 1
3 565 . 15 1 1 A 66 66 ARG CA C 66 56.000 54.242 1.758 1
3 566 . 15 1 1 A 66 66 ARG CB C 66 30.900 33.127 -2.227 1
3 569 . 15 1 1 A 67 67 ALA HA H 67 4.300 4.039 0.261 1
3 573 . 15 1 1 A 67 67 ALA CA C 67 52.400 55.009 -2.609 1
3 574 . 15 1 1 A 67 67 ALA CB C 67 19.200 18.201 0.999 1
3 575 . 15 1 1 A 69 69 ALA HA H 69 4.300 4.114 0.186 1
3 579 . 15 1 1 A 69 69 ALA CA C 69 52.400 53.086 -0.686 1
3 580 . 15 1 1 A 70 70 ASN HA H 70 4.750 5.137 -0.387 1
3 583 . 15 1 1 A 70 70 ASN CA C 70 53.300 52.100 1.200 1
3 584 . 15 1 1 A 70 70 ASN CB C 70 39.000 41.533 -2.533 1
3 585 . 15 1 1 A 71 71 SER HA H 71 4.520 4.176 0.344 1
3 588 . 15 1 1 A 71 71 SER CA C 71 58.300 58.913 -0.613 1
3 589 . 15 1 1 A 71 71 SER CB C 71 64.000 60.839 3.161 1
3 4 . 16 1 1 A 2 2 SER HA H 2 4.610 4.218 0.392 1
3 7 . 16 1 1 A 2 2 SER CA C 2 58.200 60.613 -2.413 1
3 8 . 16 1 1 A 2 2 SER CB C 2 63.900 62.520 1.380 1
3 9 . 16 1 1 A 3 3 THR HA H 3 4.380 4.021 0.359 1
3 14 . 16 1 1 A 3 3 THR CA C 3 61.900 62.323 -0.423 1
3 15 . 16 1 1 A 3 3 THR CB C 3 69.700 67.277 2.423 1
3 17 . 16 1 1 A 4 4 MET HA H 4 4.460 4.670 -0.210 1
3 25 . 16 1 1 A 4 4 MET CA C 4 55.400 56.465 -1.065 1
3 26 . 16 1 1 A 4 4 MET CB C 4 32.900 35.356 -2.456 1
3 29 . 16 1 1 A 5 5 ALA HA H 5 4.300 4.233 0.067 1
3 33 . 16 1 1 A 5 5 ALA CA C 5 52.600 53.144 -0.544 1
3 34 . 16 1 1 A 5 5 ALA CB C 5 19.300 19.204 0.096 1
3 35 . 16 1 1 A 6 6 GLU HA H 6 4.300 4.502 -0.202 1
3 40 . 16 1 1 A 6 6 GLU CA C 6 56.100 56.026 0.074 1
3 41 . 16 1 1 A 6 6 GLU CB C 6 30.700 29.225 1.475 1
3 43 . 16 1 1 A 7 7 GLU HA H 7 4.440 4.941 -0.501 1
3 48 . 16 1 1 A 7 7 GLU CA C 7 56.400 54.708 1.692 1
3 49 . 16 1 1 A 7 7 GLU CB C 7 30.700 33.889 -3.189 1
3 51 . 16 1 1 A 8 8 VAL HA H 8 4.210 4.676 -0.466 1
3 59 . 16 1 1 A 8 8 VAL CA C 8 62.200 61.362 0.838 1
3 60 . 16 1 1 A 8 8 VAL CB C 8 33.300 34.035 -0.735 1
3 63 . 16 1 1 A 9 9 VAL HA H 9 4.430 4.989 -0.559 1
3 71 . 16 1 1 A 9 9 VAL CA C 9 61.600 59.359 2.241 1
3 72 . 16 1 1 A 9 9 VAL CB C 9 32.900 34.345 -1.445 1
3 75 . 16 1 1 A 10 10 VAL HA H 10 4.990 5.313 -0.323 1
3 83 . 16 1 1 A 10 10 VAL CA C 10 58.200 59.304 -1.104 1
3 84 . 16 1 1 A 10 10 VAL CB C 10 35.100 34.984 0.116 1
3 87 . 16 1 1 A 11 11 VAL HA H 11 5.010 4.782 0.228 1
3 95 . 16 1 1 A 11 11 VAL CA C 11 59.500 59.736 -0.236 1
3 96 . 16 1 1 A 11 11 VAL CB C 11 35.100 34.104 0.996 1
3 99 . 16 1 1 A 12 12 ALA HA H 12 4.570 4.809 -0.239 1
3 103 . 16 1 1 A 12 12 ALA CA C 12 52.700 51.895 0.805 1
3 104 . 16 1 1 A 12 12 ALA CB C 12 19.900 19.349 0.551 1
3 105 . 16 1 1 A 13 13 LYS HA H 13 3.850 4.305 -0.455 1
3 114 . 16 1 1 A 13 13 LYS CA C 13 57.200 56.685 0.515 1
3 115 . 16 1 1 A 13 13 LYS CB C 13 33.800 34.057 -0.257 1
3 119 . 16 1 1 A 14 14 PHE HA H 14 4.820 5.249 -0.429 1
3 122 . 16 1 1 A 14 14 PHE CA C 14 53.600 56.694 -3.094 1
3 123 . 16 1 1 A 14 14 PHE CB C 14 43.600 43.478 0.122 1
3 124 . 16 1 1 A 15 15 ASP HA H 15 4.810 5.094 -0.284 1
3 127 . 16 1 1 A 15 15 ASP CA C 15 54.500 53.775 0.725 1
3 128 . 16 1 1 A 15 15 ASP CB C 15 41.700 41.751 -0.051 1
3 129 . 16 1 1 A 16 16 TYR HA H 16 4.770 5.230 -0.460 1
3 132 . 16 1 1 A 16 16 TYR CA C 16 59.300 56.498 2.802 1
3 133 . 16 1 1 A 16 16 TYR CB C 16 41.600 42.156 -0.556 1
3 134 . 16 1 1 A 17 17 VAL HA H 17 4.160 4.218 -0.058 1
3 142 . 16 1 1 A 17 17 VAL CA C 17 60.500 60.811 -0.311 1
3 143 . 16 1 1 A 17 17 VAL CB C 17 32.200 32.795 -0.595 1
3 146 . 16 1 1 A 18 18 ALA HA H 18 4.240 4.374 -0.134 1
3 150 . 16 1 1 A 18 18 ALA CA C 18 53.200 52.228 0.972 1
3 151 . 16 1 1 A 18 18 ALA CB C 18 19.900 19.171 0.729 1
3 152 . 16 1 1 A 19 19 GLN HA H 19 4.310 3.919 0.391 1
3 157 . 16 1 1 A 19 19 GLN CA C 19 55.100 59.814 -4.714 1
3 158 . 16 1 1 A 19 19 GLN CB C 19 31.100 28.849 2.251 1
3 160 . 16 1 1 A 20 20 GLN HA H 20 4.590 4.296 0.294 1
3 165 . 16 1 1 A 20 20 GLN CA C 20 53.900 55.871 -1.971 1
3 166 . 16 1 1 A 20 20 GLN CB C 20 32.400 30.992 1.408 1
3 168 . 16 1 1 A 21 21 GLU HA H 21 4.100 4.089 0.011 1
3 173 . 16 1 1 A 21 21 GLU CA C 21 59.500 58.865 0.635 1
3 174 . 16 1 1 A 21 21 GLU CB C 21 29.700 29.082 0.618 1
3 176 . 16 1 1 A 22 22 GLN HA H 22 4.550 4.020 0.530 1
3 181 . 16 1 1 A 22 22 GLN CA C 22 56.600 58.988 -2.388 1
3 182 . 16 1 1 A 22 22 GLN CB C 22 28.000 28.847 -0.847 1
3 184 . 16 1 1 A 23 23 GLU HA H 23 5.340 4.518 0.822 1
3 189 . 16 1 1 A 23 23 GLU CA C 23 55.500 57.191 -1.691 1
3 190 . 16 1 1 A 23 23 GLU CB C 23 32.400 30.682 1.718 1
3 192 . 16 1 1 A 24 24 LEU HA H 24 4.690 5.147 -0.457 1
3 202 . 16 1 1 A 24 24 LEU CA C 24 53.100 53.727 -0.627 1
3 203 . 16 1 1 A 24 24 LEU CB C 24 46.500 45.087 1.413 1
3 207 . 16 1 1 A 25 25 ASP HA H 25 5.170 4.667 0.503 1
3 210 . 16 1 1 A 25 25 ASP CA C 25 54.100 54.114 -0.014 1
3 211 . 16 1 1 A 25 25 ASP CB C 25 42.300 41.371 0.929 1
3 212 . 16 1 1 A 26 26 ILE HA H 26 5.130 5.237 -0.107 1
3 222 . 16 1 1 A 26 26 ILE CA C 26 59.600 58.733 0.867 1
3 223 . 16 1 1 A 26 26 ILE CB C 26 42.400 42.627 -0.227 1
3 227 . 16 1 1 A 27 27 LYS HA H 27 5.100 4.867 0.233 1
3 236 . 16 1 1 A 27 27 LYS CA C 27 52.800 55.018 -2.218 1
3 237 . 16 1 1 A 27 27 LYS CB C 27 35.400 36.586 -1.186 1
3 241 . 16 1 1 A 28 28 LYS HA H 28 3.120 3.914 -0.794 1
3 250 . 16 1 1 A 28 28 LYS CA C 28 59.100 58.006 1.094 1
3 251 . 16 1 1 A 28 28 LYS CB C 28 32.500 32.289 0.211 1
3 255 . 16 1 1 A 29 29 ASN HA H 29 4.180 4.212 -0.032 1
3 258 . 16 1 1 A 29 29 ASN CA C 29 55.800 54.508 1.292 1
3 259 . 16 1 1 A 29 29 ASN CB C 29 37.300 37.253 0.047 1
3 260 . 16 1 1 A 30 30 GLU HA H 30 4.170 4.746 -0.576 1
3 265 . 16 1 1 A 30 30 GLU CA C 30 57.600 55.090 2.510 1
3 266 . 16 1 1 A 30 30 GLU CB C 30 31.700 31.852 -0.152 1
3 268 . 16 1 1 A 31 31 ARG HA H 31 4.580 4.486 0.094 1
3 275 . 16 1 1 A 31 31 ARG CA C 31 56.200 56.089 0.111 1
3 276 . 16 1 1 A 31 31 ARG CB C 31 30.800 30.573 0.227 1
3 279 . 16 1 1 A 32 32 LEU HA H 32 4.860 4.585 0.275 1
3 289 . 16 1 1 A 32 32 LEU CA C 32 53.200 52.871 0.329 1
3 290 . 16 1 1 A 32 32 LEU CB C 32 46.300 44.546 1.754 1
3 294 . 16 1 1 A 33 33 TRP HA H 33 5.100 5.352 -0.252 1
3 297 . 16 1 1 A 33 33 TRP CA C 33 58.300 55.627 2.673 1
3 298 . 16 1 1 A 33 33 TRP CB C 33 31.000 31.080 -0.080 1
3 299 . 16 1 1 A 34 34 LEU HA H 34 4.340 4.506 -0.166 1
3 309 . 16 1 1 A 34 34 LEU CA C 34 55.500 55.027 0.473 1
3 310 . 16 1 1 A 34 34 LEU CB C 34 43.700 43.240 0.460 1
3 314 . 16 1 1 A 35 35 LEU HA H 35 4.620 4.613 0.007 1
3 324 . 16 1 1 A 35 35 LEU CA C 35 55.400 55.614 -0.214 1
3 325 . 16 1 1 A 35 35 LEU CB C 35 42.700 43.809 -1.109 1
3 329 . 16 1 1 A 36 36 ASP HA H 36 4.760 4.962 -0.202 1
3 332 . 16 1 1 A 36 36 ASP CA C 36 55.300 54.210 1.090 1
3 333 . 16 1 1 A 36 36 ASP CB C 36 43.400 42.728 0.672 1
3 334 . 16 1 1 A 37 37 ASP HA H 37 3.940 4.721 -0.781 1
3 337 . 16 1 1 A 37 37 ASP CA C 37 51.900 52.942 -1.042 1
3 338 . 16 1 1 A 37 37 ASP CB C 37 40.000 40.805 -0.805 1
3 339 . 16 1 1 A 38 38 SER HA H 38 4.210 4.287 -0.077 1
3 342 . 16 1 1 A 38 38 SER CA C 38 61.400 61.843 -0.443 1
3 343 . 16 1 1 A 38 38 SER CB C 38 63.900 63.150 0.750 1
3 344 . 16 1 1 A 39 39 LYS HA H 39 4.910 4.446 0.464 1
3 353 . 16 1 1 A 39 39 LYS CA C 39 55.000 56.203 -1.203 1
3 354 . 16 1 1 A 39 39 LYS CB C 39 34.200 33.139 1.061 1
3 358 . 16 1 1 A 40 40 SER HA H 40 4.310 4.175 0.135 1
3 361 . 16 1 1 A 40 40 SER CA C 40 60.700 61.950 -1.250 1
3 362 . 16 1 1 A 40 40 SER CB C 40 63.100 63.332 -0.232 1
3 363 . 16 1 1 A 41 41 TRP HA H 41 4.860 4.783 0.077 1
3 366 . 16 1 1 A 41 41 TRP CA C 41 56.600 56.541 0.059 1
3 367 . 16 1 1 A 41 41 TRP CB C 41 29.500 29.753 -0.253 1
3 368 . 16 1 1 A 42 42 TRP HA H 42 5.450 5.224 0.226 1
3 371 . 16 1 1 A 42 42 TRP CA C 42 54.200 57.294 -3.094 1
3 372 . 16 1 1 A 42 42 TRP CB C 42 30.900 29.414 1.486 1
3 373 . 16 1 1 A 43 43 ARG HA H 43 4.550 4.672 -0.122 1
3 380 . 16 1 1 A 43 43 ARG CA C 43 55.400 56.109 -0.709 1
3 381 . 16 1 1 A 43 43 ARG CB C 43 32.200 30.145 2.055 1
3 384 . 16 1 1 A 44 44 VAL HA H 44 5.520 5.284 0.236 1
3 392 . 16 1 1 A 44 44 VAL CA C 44 58.800 59.127 -0.327 1
3 393 . 16 1 1 A 44 44 VAL CB C 44 36.500 35.565 0.935 1
3 396 . 16 1 1 A 45 45 ARG HA H 45 5.530 5.303 0.227 1
3 403 . 16 1 1 A 45 45 ARG CA C 45 53.600 53.874 -0.274 1
3 404 . 16 1 1 A 45 45 ARG CB C 45 35.400 33.873 1.527 1
3 407 . 16 1 1 A 46 46 ASN HA H 46 5.490 5.445 0.045 1
3 410 . 16 1 1 A 46 46 ASN CA C 46 50.600 51.533 -0.933 1
3 411 . 16 1 1 A 46 46 ASN CB C 46 40.900 41.518 -0.618 1
3 412 . 16 1 1 A 47 47 SER HA H 47 4.320 4.377 -0.057 1
3 415 . 16 1 1 A 47 47 SER CA C 47 61.500 61.841 -0.341 1
3 416 . 16 1 1 A 47 47 SER CB C 47 63.000 62.837 0.163 1
3 417 . 16 1 1 A 48 48 MET HA H 48 4.730 4.579 0.151 1
3 425 . 16 1 1 A 48 48 MET CA C 48 54.400 55.766 -1.366 1
3 426 . 16 1 1 A 48 48 MET CB C 48 31.700 33.267 -1.567 1
3 429 . 16 1 1 A 49 49 ASN HA H 49 4.200 4.469 -0.269 1
3 432 . 16 1 1 A 49 49 ASN CA C 49 54.800 54.389 0.411 1
3 433 . 16 1 1 A 49 49 ASN CB C 49 37.000 36.532 0.468 1
3 434 . 16 1 1 A 50 50 LYS HA H 50 4.560 4.286 0.274 1
3 443 . 16 1 1 A 50 50 LYS CA C 50 55.600 56.730 -1.130 1
3 444 . 16 1 1 A 50 50 LYS CB C 50 33.300 33.387 -0.087 1
3 448 . 16 1 1 A 51 51 THR HA H 51 5.740 5.234 0.506 1
3 453 . 16 1 1 A 51 51 THR CA C 51 59.200 60.627 -1.427 1
3 454 . 16 1 1 A 51 51 THR CB C 51 71.700 71.324 0.376 1
3 456 . 16 1 1 A 52 52 GLY HA2 H 52 4.090 4.359 -0.269 1
3 457 . 16 1 1 A 52 52 GLY HA3 H 52 3.920 4.440 -0.520 1
3 458 . 16 1 1 A 52 52 GLY CA C 52 45.600 44.403 1.197 1
3 459 . 16 1 1 A 53 53 PHE HA H 53 5.870 5.083 0.787 1
3 462 . 16 1 1 A 53 53 PHE CA C 53 57.900 58.317 -0.417 1
3 463 . 16 1 1 A 53 53 PHE CB C 53 42.800 40.300 2.500 1
3 464 . 16 1 1 A 54 54 VAL HA H 54 4.790 5.279 -0.489 1
3 472 . 16 1 1 A 54 54 VAL CA C 54 57.500 58.325 -0.825 1
3 473 . 16 1 1 A 54 54 VAL CB C 54 33.300 34.383 -1.083 1
3 476 . 16 1 1 A 55 55 PRO HA H 55 3.230 4.249 -1.019 1
3 483 . 16 1 1 A 55 55 PRO CA C 55 62.300 62.324 -0.024 1
3 484 . 16 1 1 A 55 55 PRO CB C 55 30.400 32.693 -2.293 1
3 487 . 16 1 1 A 57 57 ASN HA H 57 4.480 4.811 -0.331 1
3 490 . 16 1 1 A 57 57 ASN CA C 57 53.700 54.197 -0.497 1
3 491 . 16 1 1 A 57 57 ASN CB C 57 36.600 39.226 -2.626 1
3 492 . 16 1 1 A 58 58 TYR HA H 58 4.460 4.657 -0.197 1
3 495 . 16 1 1 A 58 58 TYR CA C 58 59.000 59.193 -0.193 1
3 496 . 16 1 1 A 58 58 TYR CB C 58 38.100 40.121 -2.021 1
3 497 . 16 1 1 A 59 59 VAL HA H 59 5.090 5.015 0.075 1
3 505 . 16 1 1 A 59 59 VAL CA C 59 58.600 59.784 -1.184 1
3 506 . 16 1 1 A 59 59 VAL CB C 59 35.500 34.722 0.778 1
3 509 . 16 1 1 A 60 60 GLU HA H 60 4.790 4.923 -0.133 1
3 514 . 16 1 1 A 60 60 GLU CA C 60 54.300 55.634 -1.334 1
3 515 . 16 1 1 A 60 60 GLU CB C 60 33.300 33.786 -0.486 1
3 517 . 16 1 1 A 61 61 ARG HA H 61 4.540 4.420 0.120 1
3 524 . 16 1 1 A 61 61 ARG CA C 61 56.500 56.301 0.199 1
3 525 . 16 1 1 A 61 61 ARG CB C 61 31.200 30.391 0.809 1
3 528 . 16 1 1 A 62 62 LYS HA H 62 4.380 4.232 0.148 1
3 537 . 16 1 1 A 62 62 LYS CA C 62 55.900 57.088 -1.188 1
3 538 . 16 1 1 A 62 62 LYS CB C 62 33.200 32.895 0.305 1
3 542 . 16 1 1 A 63 63 ASN HA H 63 4.740 5.082 -0.342 1
3 545 . 16 1 1 A 63 63 ASN CA C 63 53.200 52.816 0.384 1
3 546 . 16 1 1 A 63 63 ASN CB C 63 39.000 38.918 0.082 1
3 547 . 16 1 1 A 64 64 SER HA H 64 4.430 4.692 -0.262 1
3 550 . 16 1 1 A 64 64 SER CA C 64 58.400 57.610 0.790 1
3 551 . 16 1 1 A 64 64 SER CB C 64 63.900 62.569 1.331 1
3 552 . 16 1 1 A 65 65 ALA HA H 65 4.330 4.525 -0.195 1
3 556 . 16 1 1 A 65 65 ALA CA C 65 52.700 50.204 2.496 1
3 557 . 16 1 1 A 65 65 ALA CB C 65 19.300 21.253 -1.953 1
3 558 . 16 1 1 A 66 66 ARG HA H 66 4.300 4.060 0.240 1
3 565 . 16 1 1 A 66 66 ARG CA C 66 56.000 56.779 -0.779 1
3 566 . 16 1 1 A 66 66 ARG CB C 66 30.900 30.886 0.014 1
3 569 . 16 1 1 A 67 67 ALA HA H 67 4.300 4.049 0.251 1
3 573 . 16 1 1 A 67 67 ALA CA C 67 52.400 55.641 -3.241 1
3 574 . 16 1 1 A 67 67 ALA CB C 67 19.200 18.214 0.986 1
3 575 . 16 1 1 A 69 69 ALA HA H 69 4.300 4.232 0.068 1
3 579 . 16 1 1 A 69 69 ALA CA C 69 52.400 52.862 -0.462 1
3 580 . 16 1 1 A 70 70 ASN HA H 70 4.750 4.520 0.230 1
3 583 . 16 1 1 A 70 70 ASN CA C 70 53.300 54.274 -0.974 1
3 584 . 16 1 1 A 70 70 ASN CB C 70 39.000 37.444 1.556 1
3 585 . 16 1 1 A 71 71 SER HA H 71 4.520 4.759 -0.239 1
3 588 . 16 1 1 A 71 71 SER CA C 71 58.300 57.322 0.978 1
3 589 . 16 1 1 A 71 71 SER CB C 71 64.000 66.483 -2.483 1
3 4 . 17 1 1 A 2 2 SER HA H 2 4.610 5.135 -0.525 1
3 7 . 17 1 1 A 2 2 SER CA C 2 58.200 56.767 1.433 1
3 8 . 17 1 1 A 2 2 SER CB C 2 63.900 63.227 0.673 1
3 9 . 17 1 1 A 3 3 THR HA H 3 4.380 5.047 -0.667 1
3 14 . 17 1 1 A 3 3 THR CA C 3 61.900 59.954 1.946 1
3 15 . 17 1 1 A 3 3 THR CB C 3 69.700 71.242 -1.542 1
3 17 . 17 1 1 A 4 4 MET HA H 4 4.460 4.428 0.032 1
3 25 . 17 1 1 A 4 4 MET CA C 4 55.400 56.229 -0.829 1
3 26 . 17 1 1 A 4 4 MET CB C 4 32.900 33.842 -0.942 1
3 29 . 17 1 1 A 5 5 ALA HA H 5 4.300 4.404 -0.104 1
3 33 . 17 1 1 A 5 5 ALA CA C 5 52.600 51.826 0.774 1
3 34 . 17 1 1 A 5 5 ALA CB C 5 19.300 18.383 0.917 1
3 35 . 17 1 1 A 6 6 GLU HA H 6 4.300 4.792 -0.492 1
3 40 . 17 1 1 A 6 6 GLU CA C 6 56.100 55.572 0.528 1
3 41 . 17 1 1 A 6 6 GLU CB C 6 30.700 30.168 0.532 1
3 43 . 17 1 1 A 7 7 GLU HA H 7 4.440 4.909 -0.469 1
3 48 . 17 1 1 A 7 7 GLU CA C 7 56.400 54.940 1.460 1
3 49 . 17 1 1 A 7 7 GLU CB C 7 30.700 34.674 -3.974 1
3 51 . 17 1 1 A 8 8 VAL HA H 8 4.210 4.839 -0.629 1
3 59 . 17 1 1 A 8 8 VAL CA C 8 62.200 60.935 1.265 1
3 60 . 17 1 1 A 8 8 VAL CB C 8 33.300 35.297 -1.997 1
3 63 . 17 1 1 A 9 9 VAL HA H 9 4.430 5.040 -0.610 1
3 71 . 17 1 1 A 9 9 VAL CA C 9 61.600 59.371 2.229 1
3 72 . 17 1 1 A 9 9 VAL CB C 9 32.900 34.567 -1.667 1
3 75 . 17 1 1 A 10 10 VAL HA H 10 4.990 5.331 -0.341 1
3 83 . 17 1 1 A 10 10 VAL CA C 10 58.200 59.062 -0.862 1
3 84 . 17 1 1 A 10 10 VAL CB C 10 35.100 35.393 -0.293 1
3 87 . 17 1 1 A 11 11 VAL HA H 11 5.010 4.832 0.178 1
3 95 . 17 1 1 A 11 11 VAL CA C 11 59.500 60.053 -0.553 1
3 96 . 17 1 1 A 11 11 VAL CB C 11 35.100 34.306 0.794 1
3 99 . 17 1 1 A 12 12 ALA HA H 12 4.570 4.285 0.285 1
3 103 . 17 1 1 A 12 12 ALA CA C 12 52.700 53.110 -0.410 1
3 104 . 17 1 1 A 12 12 ALA CB C 12 19.900 19.064 0.836 1
3 105 . 17 1 1 A 13 13 LYS HA H 13 3.850 4.207 -0.357 1
3 114 . 17 1 1 A 13 13 LYS CA C 13 57.200 56.800 0.400 1
3 115 . 17 1 1 A 13 13 LYS CB C 13 33.800 32.697 1.103 1
3 119 . 17 1 1 A 14 14 PHE HA H 14 4.820 5.031 -0.211 1
3 122 . 17 1 1 A 14 14 PHE CA C 14 53.600 56.611 -3.011 1
3 123 . 17 1 1 A 14 14 PHE CB C 14 43.600 44.178 -0.578 1
3 124 . 17 1 1 A 15 15 ASP HA H 15 4.810 5.784 -0.974 1
3 127 . 17 1 1 A 15 15 ASP CA C 15 54.500 52.647 1.853 1
3 128 . 17 1 1 A 15 15 ASP CB C 15 41.700 44.362 -2.662 1
3 129 . 17 1 1 A 16 16 TYR HA H 16 4.770 5.163 -0.393 1
3 132 . 17 1 1 A 16 16 TYR CA C 16 59.300 57.538 1.762 1
3 133 . 17 1 1 A 16 16 TYR CB C 16 41.600 42.035 -0.435 1
3 134 . 17 1 1 A 17 17 VAL HA H 17 4.160 4.289 -0.129 1
3 142 . 17 1 1 A 17 17 VAL CA C 17 60.500 60.503 -0.003 1
3 143 . 17 1 1 A 17 17 VAL CB C 17 32.200 33.675 -1.475 1
3 146 . 17 1 1 A 18 18 ALA HA H 18 4.240 4.392 -0.152 1
3 150 . 17 1 1 A 18 18 ALA CA C 18 53.200 51.264 1.936 1
3 151 . 17 1 1 A 18 18 ALA CB C 18 19.900 17.751 2.149 1
3 152 . 17 1 1 A 19 19 GLN HA H 19 4.310 3.926 0.384 1
3 157 . 17 1 1 A 19 19 GLN CA C 19 55.100 59.962 -4.862 1
3 158 . 17 1 1 A 19 19 GLN CB C 19 31.100 28.863 2.237 1
3 160 . 17 1 1 A 20 20 GLN HA H 20 4.590 4.352 0.238 1
3 165 . 17 1 1 A 20 20 GLN CA C 20 53.900 55.233 -1.333 1
3 166 . 17 1 1 A 20 20 GLN CB C 20 32.400 29.518 2.882 1
3 168 . 17 1 1 A 21 21 GLU HA H 21 4.100 4.086 0.014 1
3 173 . 17 1 1 A 21 21 GLU CA C 21 59.500 58.878 0.622 1
3 174 . 17 1 1 A 21 21 GLU CB C 21 29.700 29.141 0.559 1
3 176 . 17 1 1 A 22 22 GLN HA H 22 4.550 4.023 0.527 1
3 181 . 17 1 1 A 22 22 GLN CA C 22 56.600 59.009 -2.409 1
3 182 . 17 1 1 A 22 22 GLN CB C 22 28.000 28.846 -0.846 1
3 184 . 17 1 1 A 23 23 GLU HA H 23 5.340 4.520 0.820 1
3 189 . 17 1 1 A 23 23 GLU CA C 23 55.500 57.077 -1.577 1
3 190 . 17 1 1 A 23 23 GLU CB C 23 32.400 30.663 1.737 1
3 192 . 17 1 1 A 24 24 LEU HA H 24 4.690 5.058 -0.368 1
3 202 . 17 1 1 A 24 24 LEU CA C 24 53.100 53.525 -0.425 1
3 203 . 17 1 1 A 24 24 LEU CB C 24 46.500 45.242 1.258 1
3 207 . 17 1 1 A 25 25 ASP HA H 25 5.170 5.273 -0.103 1
3 210 . 17 1 1 A 25 25 ASP CA C 25 54.100 53.200 0.900 1
3 211 . 17 1 1 A 25 25 ASP CB C 25 42.300 42.051 0.249 1
3 212 . 17 1 1 A 26 26 ILE HA H 26 5.130 5.234 -0.104 1
3 222 . 17 1 1 A 26 26 ILE CA C 26 59.600 58.914 0.686 1
3 223 . 17 1 1 A 26 26 ILE CB C 26 42.400 42.069 0.331 1
3 227 . 17 1 1 A 27 27 LYS HA H 27 5.100 4.811 0.289 1
3 236 . 17 1 1 A 27 27 LYS CA C 27 52.800 55.175 -2.375 1
3 237 . 17 1 1 A 27 27 LYS CB C 27 35.400 36.555 -1.155 1
3 241 . 17 1 1 A 28 28 LYS HA H 28 3.120 4.309 -1.189 1
3 250 . 17 1 1 A 28 28 LYS CA C 28 59.100 58.260 0.840 1
3 251 . 17 1 1 A 28 28 LYS CB C 28 32.500 32.132 0.368 1
3 255 . 17 1 1 A 29 29 ASN HA H 29 4.180 4.295 -0.115 1
3 258 . 17 1 1 A 29 29 ASN CA C 29 55.800 54.405 1.395 1
3 259 . 17 1 1 A 29 29 ASN CB C 29 37.300 37.150 0.150 1
3 260 . 17 1 1 A 30 30 GLU HA H 30 4.170 4.877 -0.707 1
3 265 . 17 1 1 A 30 30 GLU CA C 30 57.600 55.025 2.575 1
3 266 . 17 1 1 A 30 30 GLU CB C 30 31.700 32.214 -0.514 1
3 268 . 17 1 1 A 31 31 ARG HA H 31 4.580 4.530 0.050 1
3 275 . 17 1 1 A 31 31 ARG CA C 31 56.200 55.995 0.205 1
3 276 . 17 1 1 A 31 31 ARG CB C 31 30.800 30.715 0.085 1
3 279 . 17 1 1 A 32 32 LEU HA H 32 4.860 4.624 0.236 1
3 289 . 17 1 1 A 32 32 LEU CA C 32 53.200 52.825 0.375 1
3 290 . 17 1 1 A 32 32 LEU CB C 32 46.300 44.877 1.423 1
3 294 . 17 1 1 A 33 33 TRP HA H 33 5.100 5.305 -0.205 1
3 297 . 17 1 1 A 33 33 TRP CA C 33 58.300 55.428 2.872 1
3 298 . 17 1 1 A 33 33 TRP CB C 33 31.000 31.210 -0.210 1
3 299 . 17 1 1 A 34 34 LEU HA H 34 4.340 4.435 -0.095 1
3 309 . 17 1 1 A 34 34 LEU CA C 34 55.500 55.592 -0.092 1
3 310 . 17 1 1 A 34 34 LEU CB C 34 43.700 42.641 1.059 1
3 314 . 17 1 1 A 35 35 LEU HA H 35 4.620 4.437 0.183 1
3 324 . 17 1 1 A 35 35 LEU CA C 35 55.400 55.781 -0.381 1
3 325 . 17 1 1 A 35 35 LEU CB C 35 42.700 43.287 -0.587 1
3 329 . 17 1 1 A 36 36 ASP HA H 36 4.760 4.941 -0.181 1
3 332 . 17 1 1 A 36 36 ASP CA C 36 55.300 53.660 1.640 1
3 333 . 17 1 1 A 36 36 ASP CB C 36 43.400 42.750 0.650 1
3 334 . 17 1 1 A 37 37 ASP HA H 37 3.940 4.367 -0.427 1
3 337 . 17 1 1 A 37 37 ASP CA C 37 51.900 52.245 -0.345 1
3 338 . 17 1 1 A 37 37 ASP CB C 37 40.000 39.369 0.631 1
3 339 . 17 1 1 A 38 38 SER HA H 38 4.210 4.600 -0.390 1
3 342 . 17 1 1 A 38 38 SER CA C 38 61.400 60.082 1.318 1
3 343 . 17 1 1 A 38 38 SER CB C 38 63.900 64.461 -0.561 1
3 344 . 17 1 1 A 39 39 LYS HA H 39 4.910 4.446 0.464 1
3 353 . 17 1 1 A 39 39 LYS CA C 39 55.000 56.105 -1.105 1
3 354 . 17 1 1 A 39 39 LYS CB C 39 34.200 33.313 0.887 1
3 358 . 17 1 1 A 40 40 SER HA H 40 4.310 4.197 0.113 1
3 361 . 17 1 1 A 40 40 SER CA C 40 60.700 61.849 -1.149 1
3 362 . 17 1 1 A 40 40 SER CB C 40 63.100 63.248 -0.148 1
3 363 . 17 1 1 A 41 41 TRP HA H 41 4.860 5.089 -0.229 1
3 366 . 17 1 1 A 41 41 TRP CA C 41 56.600 56.425 0.175 1
3 367 . 17 1 1 A 41 41 TRP CB C 41 29.500 30.255 -0.755 1
3 368 . 17 1 1 A 42 42 TRP HA H 42 5.450 5.180 0.270 1
3 371 . 17 1 1 A 42 42 TRP CA C 42 54.200 57.453 -3.253 1
3 372 . 17 1 1 A 42 42 TRP CB C 42 30.900 29.348 1.552 1
3 373 . 17 1 1 A 43 43 ARG HA H 43 4.550 4.553 -0.003 1
3 380 . 17 1 1 A 43 43 ARG CA C 43 55.400 56.084 -0.684 1
3 381 . 17 1 1 A 43 43 ARG CB C 43 32.200 30.272 1.928 1
3 384 . 17 1 1 A 44 44 VAL HA H 44 5.520 5.191 0.329 1
3 392 . 17 1 1 A 44 44 VAL CA C 44 58.800 58.780 0.020 1
3 393 . 17 1 1 A 44 44 VAL CB C 44 36.500 36.156 0.344 1
3 396 . 17 1 1 A 45 45 ARG HA H 45 5.530 5.283 0.247 1
3 403 . 17 1 1 A 45 45 ARG CA C 45 53.600 53.865 -0.265 1
3 404 . 17 1 1 A 45 45 ARG CB C 45 35.400 34.028 1.372 1
3 407 . 17 1 1 A 46 46 ASN HA H 46 5.490 5.419 0.071 1
3 410 . 17 1 1 A 46 46 ASN CA C 46 50.600 51.473 -0.873 1
3 411 . 17 1 1 A 46 46 ASN CB C 46 40.900 41.510 -0.610 1
3 412 . 17 1 1 A 47 47 SER HA H 47 4.320 4.520 -0.200 1
3 415 . 17 1 1 A 47 47 SER CA C 47 61.500 61.803 -0.303 1
3 416 . 17 1 1 A 47 47 SER CB C 47 63.000 62.801 0.199 1
3 417 . 17 1 1 A 48 48 MET HA H 48 4.730 4.566 0.164 1
3 425 . 17 1 1 A 48 48 MET CA C 48 54.400 55.803 -1.403 1
3 426 . 17 1 1 A 48 48 MET CB C 48 31.700 33.243 -1.543 1
3 429 . 17 1 1 A 49 49 ASN HA H 49 4.200 4.494 -0.294 1
3 432 . 17 1 1 A 49 49 ASN CA C 49 54.800 54.366 0.434 1
3 433 . 17 1 1 A 49 49 ASN CB C 49 37.000 36.544 0.456 1
3 434 . 17 1 1 A 50 50 LYS HA H 50 4.560 4.422 0.138 1
3 443 . 17 1 1 A 50 50 LYS CA C 50 55.600 56.175 -0.575 1
3 444 . 17 1 1 A 50 50 LYS CB C 50 33.300 33.918 -0.618 1
3 448 . 17 1 1 A 51 51 THR HA H 51 5.740 5.241 0.499 1
3 453 . 17 1 1 A 51 51 THR CA C 51 59.200 60.182 -0.982 1
3 454 . 17 1 1 A 51 51 THR CB C 51 71.700 72.801 -1.101 1
3 456 . 17 1 1 A 52 52 GLY HA2 H 52 4.090 4.207 -0.117 1
3 457 . 17 1 1 A 52 52 GLY HA3 H 52 3.920 4.261 -0.341 1
3 458 . 17 1 1 A 52 52 GLY CA C 52 45.600 45.435 0.165 1
3 459 . 17 1 1 A 53 53 PHE HA H 53 5.870 5.079 0.791 1
3 462 . 17 1 1 A 53 53 PHE CA C 53 57.900 58.052 -0.152 1
3 463 . 17 1 1 A 53 53 PHE CB C 53 42.800 40.945 1.855 1
3 464 . 17 1 1 A 54 54 VAL HA H 54 4.790 5.025 -0.235 1
3 472 . 17 1 1 A 54 54 VAL CA C 54 57.500 58.526 -1.026 1
3 473 . 17 1 1 A 54 54 VAL CB C 54 33.300 35.082 -1.782 1
3 476 . 17 1 1 A 55 55 PRO HA H 55 3.230 4.368 -1.138 1
3 483 . 17 1 1 A 55 55 PRO CA C 55 62.300 62.531 -0.231 1
3 484 . 17 1 1 A 55 55 PRO CB C 55 30.400 32.279 -1.879 1
3 487 . 17 1 1 A 57 57 ASN HA H 57 4.480 4.420 0.060 1
3 490 . 17 1 1 A 57 57 ASN CA C 57 53.700 55.123 -1.423 1
3 491 . 17 1 1 A 57 57 ASN CB C 57 36.600 38.152 -1.552 1
3 492 . 17 1 1 A 58 58 TYR HA H 58 4.460 4.725 -0.265 1
3 495 . 17 1 1 A 58 58 TYR CA C 58 59.000 58.951 0.049 1
3 496 . 17 1 1 A 58 58 TYR CB C 58 38.100 40.488 -2.388 1
3 497 . 17 1 1 A 59 59 VAL HA H 59 5.090 4.800 0.290 1
3 505 . 17 1 1 A 59 59 VAL CA C 59 58.600 59.661 -1.061 1
3 506 . 17 1 1 A 59 59 VAL CB C 59 35.500 34.991 0.509 1
3 509 . 17 1 1 A 60 60 GLU HA H 60 4.790 4.699 0.091 1
3 514 . 17 1 1 A 60 60 GLU CA C 60 54.300 55.644 -1.344 1
3 515 . 17 1 1 A 60 60 GLU CB C 60 33.300 33.404 -0.104 1
3 517 . 17 1 1 A 61 61 ARG HA H 61 4.540 4.280 0.260 1
3 524 . 17 1 1 A 61 61 ARG CA C 61 56.500 56.321 0.179 1
3 525 . 17 1 1 A 61 61 ARG CB C 61 31.200 30.513 0.687 1
3 528 . 17 1 1 A 62 62 LYS HA H 62 4.380 4.881 -0.501 1
3 537 . 17 1 1 A 62 62 LYS CA C 62 55.900 54.846 1.054 1
3 538 . 17 1 1 A 62 62 LYS CB C 62 33.200 34.833 -1.633 1
3 542 . 17 1 1 A 63 63 ASN HA H 63 4.740 5.066 -0.326 1
3 545 . 17 1 1 A 63 63 ASN CA C 63 53.200 52.333 0.867 1
3 546 . 17 1 1 A 63 63 ASN CB C 63 39.000 37.880 1.120 1
3 547 . 17 1 1 A 64 64 SER HA H 64 4.430 4.239 0.191 1
3 550 . 17 1 1 A 64 64 SER CA C 64 58.400 61.580 -3.180 1
3 551 . 17 1 1 A 64 64 SER CB C 64 63.900 63.017 0.883 1
3 552 . 17 1 1 A 65 65 ALA HA H 65 4.330 4.397 -0.067 1
3 556 . 17 1 1 A 65 65 ALA CA C 65 52.700 51.795 0.905 1
3 557 . 17 1 1 A 65 65 ALA CB C 65 19.300 18.541 0.759 1
3 558 . 17 1 1 A 66 66 ARG HA H 66 4.300 4.583 -0.283 1
3 565 . 17 1 1 A 66 66 ARG CA C 66 56.000 55.161 0.839 1
3 566 . 17 1 1 A 66 66 ARG CB C 66 30.900 31.308 -0.408 1
3 569 . 17 1 1 A 67 67 ALA HA H 67 4.300 4.056 0.244 1
3 573 . 17 1 1 A 67 67 ALA CA C 67 52.400 55.431 -3.031 1
3 574 . 17 1 1 A 67 67 ALA CB C 67 19.200 18.316 0.884 1
3 575 . 17 1 1 A 69 69 ALA HA H 69 4.300 4.436 -0.136 1
3 579 . 17 1 1 A 69 69 ALA CA C 69 52.400 53.695 -1.295 1
3 580 . 17 1 1 A 70 70 ASN HA H 70 4.750 4.894 -0.144 1
3 583 . 17 1 1 A 70 70 ASN CA C 70 53.300 54.217 -0.917 1
3 584 . 17 1 1 A 70 70 ASN CB C 70 39.000 41.385 -2.385 1
3 585 . 17 1 1 A 71 71 SER HA H 71 4.520 4.462 0.058 1
3 588 . 17 1 1 A 71 71 SER CA C 71 58.300 59.771 -1.471 1
3 589 . 17 1 1 A 71 71 SER CB C 71 64.000 64.090 -0.090 1
3 4 . 18 1 1 A 2 2 SER HA H 2 4.610 4.590 0.020 1
3 7 . 18 1 1 A 2 2 SER CA C 2 58.200 58.743 -0.543 1
3 8 . 18 1 1 A 2 2 SER CB C 2 63.900 64.464 -0.564 1
3 9 . 18 1 1 A 3 3 THR HA H 3 4.380 4.375 0.005 1
3 14 . 18 1 1 A 3 3 THR CA C 3 61.900 63.858 -1.958 1
3 15 . 18 1 1 A 3 3 THR CB C 3 69.700 67.653 2.047 1
3 17 . 18 1 1 A 4 4 MET HA H 4 4.460 4.739 -0.279 1
3 25 . 18 1 1 A 4 4 MET CA C 4 55.400 56.393 -0.993 1
3 26 . 18 1 1 A 4 4 MET CB C 4 32.900 35.371 -2.471 1
3 29 . 18 1 1 A 5 5 ALA HA H 5 4.300 4.340 -0.040 1
3 33 . 18 1 1 A 5 5 ALA CA C 5 52.600 54.197 -1.597 1
3 34 . 18 1 1 A 5 5 ALA CB C 5 19.300 19.063 0.237 1
3 35 . 18 1 1 A 6 6 GLU HA H 6 4.300 4.617 -0.317 1
3 40 . 18 1 1 A 6 6 GLU CA C 6 56.100 56.171 -0.071 1
3 41 . 18 1 1 A 6 6 GLU CB C 6 30.700 33.515 -2.815 1
3 43 . 18 1 1 A 7 7 GLU HA H 7 4.440 5.180 -0.740 1
3 48 . 18 1 1 A 7 7 GLU CA C 7 56.400 55.178 1.222 1
3 49 . 18 1 1 A 7 7 GLU CB C 7 30.700 32.074 -1.374 1
3 51 . 18 1 1 A 8 8 VAL HA H 8 4.210 4.837 -0.627 1
3 59 . 18 1 1 A 8 8 VAL CA C 8 62.200 60.685 1.515 1
3 60 . 18 1 1 A 8 8 VAL CB C 8 33.300 35.645 -2.345 1
3 63 . 18 1 1 A 9 9 VAL HA H 9 4.430 4.957 -0.527 1
3 71 . 18 1 1 A 9 9 VAL CA C 9 61.600 59.263 2.337 1
3 72 . 18 1 1 A 9 9 VAL CB C 9 32.900 34.630 -1.730 1
3 75 . 18 1 1 A 10 10 VAL HA H 10 4.990 5.426 -0.436 1
3 83 . 18 1 1 A 10 10 VAL CA C 10 58.200 59.020 -0.820 1
3 84 . 18 1 1 A 10 10 VAL CB C 10 35.100 35.530 -0.430 1
3 87 . 18 1 1 A 11 11 VAL HA H 11 5.010 4.889 0.121 1
3 95 . 18 1 1 A 11 11 VAL CA C 11 59.500 59.548 -0.048 1
3 96 . 18 1 1 A 11 11 VAL CB C 11 35.100 34.406 0.694 1
3 99 . 18 1 1 A 12 12 ALA HA H 12 4.570 5.014 -0.444 1
3 103 . 18 1 1 A 12 12 ALA CA C 12 52.700 51.230 1.470 1
3 104 . 18 1 1 A 12 12 ALA CB C 12 19.900 19.808 0.092 1
3 105 . 18 1 1 A 13 13 LYS HA H 13 3.850 4.343 -0.493 1
3 114 . 18 1 1 A 13 13 LYS CA C 13 57.200 56.593 0.607 1
3 115 . 18 1 1 A 13 13 LYS CB C 13 33.800 34.138 -0.338 1
3 119 . 18 1 1 A 14 14 PHE HA H 14 4.820 5.267 -0.447 1
3 122 . 18 1 1 A 14 14 PHE CA C 14 53.600 56.617 -3.017 1
3 123 . 18 1 1 A 14 14 PHE CB C 14 43.600 43.463 0.137 1
3 124 . 18 1 1 A 15 15 ASP HA H 15 4.810 5.099 -0.289 1
3 127 . 18 1 1 A 15 15 ASP CA C 15 54.500 53.780 0.720 1
3 128 . 18 1 1 A 15 15 ASP CB C 15 41.700 41.572 0.128 1
3 129 . 18 1 1 A 16 16 TYR HA H 16 4.770 5.206 -0.436 1
3 132 . 18 1 1 A 16 16 TYR CA C 16 59.300 56.035 3.265 1
3 133 . 18 1 1 A 16 16 TYR CB C 16 41.600 42.017 -0.417 1
3 134 . 18 1 1 A 17 17 VAL HA H 17 4.160 4.167 -0.007 1
3 142 . 18 1 1 A 17 17 VAL CA C 17 60.500 60.797 -0.297 1
3 143 . 18 1 1 A 17 17 VAL CB C 17 32.200 32.834 -0.634 1
3 146 . 18 1 1 A 18 18 ALA HA H 18 4.240 4.720 -0.480 1
3 150 . 18 1 1 A 18 18 ALA CA C 18 53.200 52.347 0.853 1
3 151 . 18 1 1 A 18 18 ALA CB C 18 19.900 19.316 0.584 1
3 152 . 18 1 1 A 19 19 GLN HA H 19 4.310 3.951 0.359 1
3 157 . 18 1 1 A 19 19 GLN CA C 19 55.100 60.015 -4.915 1
3 158 . 18 1 1 A 19 19 GLN CB C 19 31.100 28.891 2.209 1
3 160 . 18 1 1 A 20 20 GLN HA H 20 4.590 4.432 0.158 1
3 165 . 18 1 1 A 20 20 GLN CA C 20 53.900 55.077 -1.177 1
3 166 . 18 1 1 A 20 20 GLN CB C 20 32.400 29.687 2.713 1
3 168 . 18 1 1 A 21 21 GLU HA H 21 4.100 4.063 0.037 1
3 173 . 18 1 1 A 21 21 GLU CA C 21 59.500 58.713 0.787 1
3 174 . 18 1 1 A 21 21 GLU CB C 21 29.700 29.189 0.511 1
3 176 . 18 1 1 A 22 22 GLN HA H 22 4.550 4.098 0.452 1
3 181 . 18 1 1 A 22 22 GLN CA C 22 56.600 58.717 -2.117 1
3 182 . 18 1 1 A 22 22 GLN CB C 22 28.000 28.390 -0.390 1
3 184 . 18 1 1 A 23 23 GLU HA H 23 5.340 4.521 0.819 1
3 189 . 18 1 1 A 23 23 GLU CA C 23 55.500 56.771 -1.271 1
3 190 . 18 1 1 A 23 23 GLU CB C 23 32.400 30.805 1.595 1
3 192 . 18 1 1 A 24 24 LEU HA H 24 4.690 5.137 -0.447 1
3 202 . 18 1 1 A 24 24 LEU CA C 24 53.100 53.701 -0.601 1
3 203 . 18 1 1 A 24 24 LEU CB C 24 46.500 45.306 1.194 1
3 207 . 18 1 1 A 25 25 ASP HA H 25 5.170 4.791 0.379 1
3 210 . 18 1 1 A 25 25 ASP CA C 25 54.100 53.999 0.101 1
3 211 . 18 1 1 A 25 25 ASP CB C 25 42.300 41.392 0.908 1
3 212 . 18 1 1 A 26 26 ILE HA H 26 5.130 5.211 -0.081 1
3 222 . 18 1 1 A 26 26 ILE CA C 26 59.600 58.707 0.893 1
3 223 . 18 1 1 A 26 26 ILE CB C 26 42.400 42.643 -0.243 1
3 227 . 18 1 1 A 27 27 LYS HA H 27 5.100 4.935 0.165 1
3 236 . 18 1 1 A 27 27 LYS CA C 27 52.800 54.867 -2.067 1
3 237 . 18 1 1 A 27 27 LYS CB C 27 35.400 36.562 -1.162 1
3 241 . 18 1 1 A 28 28 LYS HA H 28 3.120 3.917 -0.797 1
3 250 . 18 1 1 A 28 28 LYS CA C 28 59.100 58.131 0.969 1
3 251 . 18 1 1 A 28 28 LYS CB C 28 32.500 32.209 0.291 1
3 255 . 18 1 1 A 29 29 ASN HA H 29 4.180 4.320 -0.140 1
3 258 . 18 1 1 A 29 29 ASN CA C 29 55.800 54.499 1.301 1
3 259 . 18 1 1 A 29 29 ASN CB C 29 37.300 37.407 -0.107 1
3 260 . 18 1 1 A 30 30 GLU HA H 30 4.170 4.671 -0.501 1
3 265 . 18 1 1 A 30 30 GLU CA C 30 57.600 55.020 2.580 1
3 266 . 18 1 1 A 30 30 GLU CB C 30 31.700 31.481 0.219 1
3 268 . 18 1 1 A 31 31 ARG HA H 31 4.580 4.389 0.191 1
3 275 . 18 1 1 A 31 31 ARG CA C 31 56.200 55.959 0.241 1
3 276 . 18 1 1 A 31 31 ARG CB C 31 30.800 30.498 0.302 1
3 279 . 18 1 1 A 32 32 LEU HA H 32 4.860 4.623 0.237 1
3 289 . 18 1 1 A 32 32 LEU CA C 32 53.200 52.813 0.387 1
3 290 . 18 1 1 A 32 32 LEU CB C 32 46.300 44.840 1.460 1
3 294 . 18 1 1 A 33 33 TRP HA H 33 5.100 5.313 -0.213 1
3 297 . 18 1 1 A 33 33 TRP CA C 33 58.300 55.585 2.715 1
3 298 . 18 1 1 A 33 33 TRP CB C 33 31.000 30.671 0.329 1
3 299 . 18 1 1 A 34 34 LEU HA H 34 4.340 4.437 -0.097 1
3 309 . 18 1 1 A 34 34 LEU CA C 34 55.500 55.601 -0.101 1
3 310 . 18 1 1 A 34 34 LEU CB C 34 43.700 42.423 1.277 1
3 314 . 18 1 1 A 35 35 LEU HA H 35 4.620 4.368 0.252 1
3 324 . 18 1 1 A 35 35 LEU CA C 35 55.400 55.927 -0.527 1
3 325 . 18 1 1 A 35 35 LEU CB C 35 42.700 42.602 0.098 1
3 329 . 18 1 1 A 36 36 ASP HA H 36 4.760 4.929 -0.169 1
3 332 . 18 1 1 A 36 36 ASP CA C 36 55.300 52.930 2.370 1
3 333 . 18 1 1 A 36 36 ASP CB C 36 43.400 42.808 0.592 1
3 334 . 18 1 1 A 37 37 ASP HA H 37 3.940 4.711 -0.771 1
3 337 . 18 1 1 A 37 37 ASP CA C 37 51.900 52.509 -0.609 1
3 338 . 18 1 1 A 37 37 ASP CB C 37 40.000 39.855 0.145 1
3 339 . 18 1 1 A 38 38 SER HA H 38 4.210 4.588 -0.378 1
3 342 . 18 1 1 A 38 38 SER CA C 38 61.400 60.325 1.075 1
3 343 . 18 1 1 A 38 38 SER CB C 38 63.900 64.304 -0.404 1
3 344 . 18 1 1 A 39 39 LYS HA H 39 4.910 4.466 0.444 1
3 353 . 18 1 1 A 39 39 LYS CA C 39 55.000 56.040 -1.040 1
3 354 . 18 1 1 A 39 39 LYS CB C 39 34.200 33.268 0.932 1
3 358 . 18 1 1 A 40 40 SER HA H 40 4.310 4.157 0.153 1
3 361 . 18 1 1 A 40 40 SER CA C 40 60.700 62.635 -1.935 1
3 362 . 18 1 1 A 40 40 SER CB C 40 63.100 63.225 -0.125 1
3 363 . 18 1 1 A 41 41 TRP HA H 41 4.860 4.834 0.026 1
3 366 . 18 1 1 A 41 41 TRP CA C 41 56.600 56.845 -0.245 1
3 367 . 18 1 1 A 41 41 TRP CB C 41 29.500 29.839 -0.339 1
3 368 . 18 1 1 A 42 42 TRP HA H 42 5.450 5.118 0.332 1
3 371 . 18 1 1 A 42 42 TRP CA C 42 54.200 57.405 -3.205 1
3 372 . 18 1 1 A 42 42 TRP CB C 42 30.900 29.306 1.594 1
3 373 . 18 1 1 A 43 43 ARG HA H 43 4.550 4.477 0.073 1
3 380 . 18 1 1 A 43 43 ARG CA C 43 55.400 56.105 -0.705 1
3 381 . 18 1 1 A 43 43 ARG CB C 43 32.200 30.024 2.176 1
3 384 . 18 1 1 A 44 44 VAL HA H 44 5.520 5.228 0.292 1
3 392 . 18 1 1 A 44 44 VAL CA C 44 58.800 58.761 0.039 1
3 393 . 18 1 1 A 44 44 VAL CB C 44 36.500 35.629 0.871 1
3 396 . 18 1 1 A 45 45 ARG HA H 45 5.530 5.335 0.195 1
3 403 . 18 1 1 A 45 45 ARG CA C 45 53.600 53.833 -0.233 1
3 404 . 18 1 1 A 45 45 ARG CB C 45 35.400 33.898 1.502 1
3 407 . 18 1 1 A 46 46 ASN HA H 46 5.490 5.355 0.135 1
3 410 . 18 1 1 A 46 46 ASN CA C 46 50.600 51.472 -0.872 1
3 411 . 18 1 1 A 46 46 ASN CB C 46 40.900 41.609 -0.709 1
3 412 . 18 1 1 A 47 47 SER HA H 47 4.320 4.511 -0.191 1
3 415 . 18 1 1 A 47 47 SER CA C 47 61.500 61.702 -0.202 1
3 416 . 18 1 1 A 47 47 SER CB C 47 63.000 62.828 0.172 1
3 417 . 18 1 1 A 48 48 MET HA H 48 4.730 4.603 0.127 1
3 425 . 18 1 1 A 48 48 MET CA C 48 54.400 55.791 -1.391 1
3 426 . 18 1 1 A 48 48 MET CB C 48 31.700 33.280 -1.580 1
3 429 . 18 1 1 A 49 49 ASN HA H 49 4.200 4.506 -0.306 1
3 432 . 18 1 1 A 49 49 ASN CA C 49 54.800 54.416 0.384 1
3 433 . 18 1 1 A 49 49 ASN CB C 49 37.000 36.550 0.450 1
3 434 . 18 1 1 A 50 50 LYS HA H 50 4.560 4.293 0.267 1
3 443 . 18 1 1 A 50 50 LYS CA C 50 55.600 56.597 -0.997 1
3 444 . 18 1 1 A 50 50 LYS CB C 50 33.300 33.317 -0.017 1
3 448 . 18 1 1 A 51 51 THR HA H 51 5.740 5.261 0.479 1
3 453 . 18 1 1 A 51 51 THR CA C 51 59.200 60.641 -1.441 1
3 454 . 18 1 1 A 51 51 THR CB C 51 71.700 71.309 0.391 1
3 456 . 18 1 1 A 52 52 GLY HA2 H 52 4.090 4.379 -0.289 1
3 457 . 18 1 1 A 52 52 GLY HA3 H 52 3.920 4.443 -0.523 1
3 458 . 18 1 1 A 52 52 GLY CA C 52 45.600 44.405 1.195 1
3 459 . 18 1 1 A 53 53 PHE HA H 53 5.870 5.031 0.839 1
3 462 . 18 1 1 A 53 53 PHE CA C 53 57.900 58.297 -0.397 1
3 463 . 18 1 1 A 53 53 PHE CB C 53 42.800 40.423 2.377 1
3 464 . 18 1 1 A 54 54 VAL HA H 54 4.790 5.081 -0.291 1
3 472 . 18 1 1 A 54 54 VAL CA C 54 57.500 58.337 -0.837 1
3 473 . 18 1 1 A 54 54 VAL CB C 54 33.300 34.754 -1.454 1
3 476 . 18 1 1 A 55 55 PRO HA H 55 3.230 4.353 -1.123 1
3 483 . 18 1 1 A 55 55 PRO CA C 55 62.300 62.390 -0.090 1
3 484 . 18 1 1 A 55 55 PRO CB C 55 30.400 32.711 -2.311 1
3 487 . 18 1 1 A 57 57 ASN HA H 57 4.480 4.573 -0.093 1
3 490 . 18 1 1 A 57 57 ASN CA C 57 53.700 54.966 -1.266 1
3 491 . 18 1 1 A 57 57 ASN CB C 57 36.600 38.645 -2.045 1
3 492 . 18 1 1 A 58 58 TYR HA H 58 4.460 4.698 -0.238 1
3 495 . 18 1 1 A 58 58 TYR CA C 58 59.000 59.134 -0.134 1
3 496 . 18 1 1 A 58 58 TYR CB C 58 38.100 40.327 -2.227 1
3 497 . 18 1 1 A 59 59 VAL HA H 59 5.090 5.226 -0.136 1
3 505 . 18 1 1 A 59 59 VAL CA C 59 58.600 59.612 -1.012 1
3 506 . 18 1 1 A 59 59 VAL CB C 59 35.500 34.880 0.620 1
3 509 . 18 1 1 A 60 60 GLU HA H 60 4.790 4.932 -0.142 1
3 514 . 18 1 1 A 60 60 GLU CA C 60 54.300 55.710 -1.410 1
3 515 . 18 1 1 A 60 60 GLU CB C 60 33.300 33.821 -0.521 1
3 517 . 18 1 1 A 61 61 ARG HA H 61 4.540 4.501 0.039 1
3 524 . 18 1 1 A 61 61 ARG CA C 61 56.500 57.693 -1.193 1
3 525 . 18 1 1 A 61 61 ARG CB C 61 31.200 30.911 0.289 1
3 528 . 18 1 1 A 62 62 LYS HA H 62 4.380 4.510 -0.130 1
3 537 . 18 1 1 A 62 62 LYS CA C 62 55.900 56.696 -0.796 1
3 538 . 18 1 1 A 62 62 LYS CB C 62 33.200 33.452 -0.252 1
3 542 . 18 1 1 A 63 63 ASN HA H 63 4.740 5.380 -0.640 1
3 545 . 18 1 1 A 63 63 ASN CA C 63 53.200 52.024 1.176 1
3 546 . 18 1 1 A 63 63 ASN CB C 63 39.000 39.471 -0.471 1
3 547 . 18 1 1 A 64 64 SER HA H 64 4.430 4.088 0.342 1
3 550 . 18 1 1 A 64 64 SER CA C 64 58.400 61.645 -3.245 1
3 551 . 18 1 1 A 64 64 SER CB C 64 63.900 63.079 0.821 1
3 552 . 18 1 1 A 65 65 ALA HA H 65 4.330 4.582 -0.252 1
3 556 . 18 1 1 A 65 65 ALA CA C 65 52.700 50.376 2.324 1
3 557 . 18 1 1 A 65 65 ALA CB C 65 19.300 21.116 -1.816 1
3 558 . 18 1 1 A 66 66 ARG HA H 66 4.300 4.299 0.001 1
3 565 . 18 1 1 A 66 66 ARG CA C 66 56.000 56.495 -0.495 1
3 566 . 18 1 1 A 66 66 ARG CB C 66 30.900 30.457 0.443 1
3 569 . 18 1 1 A 67 67 ALA HA H 67 4.300 4.207 0.093 1
3 573 . 18 1 1 A 67 67 ALA CA C 67 52.400 53.195 -0.795 1
3 574 . 18 1 1 A 67 67 ALA CB C 67 19.200 19.247 -0.047 1
3 575 . 18 1 1 A 69 69 ALA HA H 69 4.300 4.215 0.085 1
3 579 . 18 1 1 A 69 69 ALA CA C 69 52.400 52.011 0.389 1
3 580 . 18 1 1 A 70 70 ASN HA H 70 4.750 5.261 -0.511 1
3 583 . 18 1 1 A 70 70 ASN CA C 70 53.300 52.042 1.258 1
3 584 . 18 1 1 A 70 70 ASN CB C 70 39.000 41.667 -2.667 1
3 585 . 18 1 1 A 71 71 SER HA H 71 4.520 4.573 -0.053 1
3 588 . 18 1 1 A 71 71 SER CA C 71 58.300 58.150 0.150 1
3 589 . 18 1 1 A 71 71 SER CB C 71 64.000 64.125 -0.125 1
3 4 . 19 1 1 A 2 2 SER HA H 2 4.610 4.268 0.342 1
3 7 . 19 1 1 A 2 2 SER CA C 2 58.200 60.797 -2.597 1
3 8 . 19 1 1 A 2 2 SER CB C 2 63.900 62.995 0.905 1
3 9 . 19 1 1 A 3 3 THR HA H 3 4.380 4.132 0.248 1
3 14 . 19 1 1 A 3 3 THR CA C 3 61.900 64.337 -2.437 1
3 15 . 19 1 1 A 3 3 THR CB C 3 69.700 69.360 0.340 1
3 17 . 19 1 1 A 4 4 MET HA H 4 4.460 4.575 -0.115 1
3 25 . 19 1 1 A 4 4 MET CA C 4 55.400 56.923 -1.523 1
3 26 . 19 1 1 A 4 4 MET CB C 4 32.900 35.125 -2.225 1
3 29 . 19 1 1 A 5 5 ALA HA H 5 4.300 4.172 0.128 1
3 33 . 19 1 1 A 5 5 ALA CA C 5 52.600 53.076 -0.476 1
3 34 . 19 1 1 A 5 5 ALA CB C 5 19.300 18.520 0.780 1
3 35 . 19 1 1 A 6 6 GLU HA H 6 4.300 3.960 0.340 1
3 40 . 19 1 1 A 6 6 GLU CA C 6 56.100 57.196 -1.096 1
3 41 . 19 1 1 A 6 6 GLU CB C 6 30.700 28.207 2.493 1
3 43 . 19 1 1 A 7 7 GLU HA H 7 4.440 4.554 -0.114 1
3 48 . 19 1 1 A 7 7 GLU CA C 7 56.400 55.995 0.405 1
3 49 . 19 1 1 A 7 7 GLU CB C 7 30.700 29.700 1.000 1
3 51 . 19 1 1 A 8 8 VAL HA H 8 4.210 4.804 -0.594 1
3 59 . 19 1 1 A 8 8 VAL CA C 8 62.200 60.812 1.388 1
3 60 . 19 1 1 A 8 8 VAL CB C 8 33.300 35.350 -2.050 1
3 63 . 19 1 1 A 9 9 VAL HA H 9 4.430 4.995 -0.565 1
3 71 . 19 1 1 A 9 9 VAL CA C 9 61.600 59.147 2.453 1
3 72 . 19 1 1 A 9 9 VAL CB C 9 32.900 35.022 -2.122 1
3 75 . 19 1 1 A 10 10 VAL HA H 10 4.990 5.443 -0.453 1
3 83 . 19 1 1 A 10 10 VAL CA C 10 58.200 59.032 -0.832 1
3 84 . 19 1 1 A 10 10 VAL CB C 10 35.100 35.342 -0.242 1
3 87 . 19 1 1 A 11 11 VAL HA H 11 5.010 4.912 0.098 1
3 95 . 19 1 1 A 11 11 VAL CA C 11 59.500 59.403 0.097 1
3 96 . 19 1 1 A 11 11 VAL CB C 11 35.100 34.790 0.310 1
3 99 . 19 1 1 A 12 12 ALA HA H 12 4.570 4.777 -0.207 1
3 103 . 19 1 1 A 12 12 ALA CA C 12 52.700 51.921 0.779 1
3 104 . 19 1 1 A 12 12 ALA CB C 12 19.900 19.223 0.677 1
3 105 . 19 1 1 A 13 13 LYS HA H 13 3.850 4.039 -0.189 1
3 114 . 19 1 1 A 13 13 LYS CA C 13 57.200 57.229 -0.029 1
3 115 . 19 1 1 A 13 13 LYS CB C 13 33.800 32.451 1.349 1
3 119 . 19 1 1 A 14 14 PHE HA H 14 4.820 5.072 -0.252 1
3 122 . 19 1 1 A 14 14 PHE CA C 14 53.600 56.692 -3.092 1
3 123 . 19 1 1 A 14 14 PHE CB C 14 43.600 44.203 -0.603 1
3 124 . 19 1 1 A 15 15 ASP HA H 15 4.810 5.772 -0.962 1
3 127 . 19 1 1 A 15 15 ASP CA C 15 54.500 52.657 1.843 1
3 128 . 19 1 1 A 15 15 ASP CB C 15 41.700 43.891 -2.191 1
3 129 . 19 1 1 A 16 16 TYR HA H 16 4.770 5.233 -0.463 1
3 132 . 19 1 1 A 16 16 TYR CA C 16 59.300 56.956 2.344 1
3 133 . 19 1 1 A 16 16 TYR CB C 16 41.600 42.296 -0.696 1
3 134 . 19 1 1 A 17 17 VAL HA H 17 4.160 4.216 -0.056 1
3 142 . 19 1 1 A 17 17 VAL CA C 17 60.500 60.789 -0.289 1
3 143 . 19 1 1 A 17 17 VAL CB C 17 32.200 32.878 -0.678 1
3 146 . 19 1 1 A 18 18 ALA HA H 18 4.240 4.725 -0.485 1
3 150 . 19 1 1 A 18 18 ALA CA C 18 53.200 51.630 1.570 1
3 151 . 19 1 1 A 18 18 ALA CB C 18 19.900 18.446 1.454 1
3 152 . 19 1 1 A 19 19 GLN HA H 19 4.310 3.968 0.342 1
3 157 . 19 1 1 A 19 19 GLN CA C 19 55.100 59.582 -4.482 1
3 158 . 19 1 1 A 19 19 GLN CB C 19 31.100 28.656 2.444 1
3 160 . 19 1 1 A 20 20 GLN HA H 20 4.590 4.370 0.220 1
3 165 . 19 1 1 A 20 20 GLN CA C 20 53.900 55.642 -1.742 1
3 166 . 19 1 1 A 20 20 GLN CB C 20 32.400 29.613 2.787 1
3 168 . 19 1 1 A 21 21 GLU HA H 21 4.100 4.068 0.032 1
3 173 . 19 1 1 A 21 21 GLU CA C 21 59.500 58.590 0.910 1
3 174 . 19 1 1 A 21 21 GLU CB C 21 29.700 29.115 0.585 1
3 176 . 19 1 1 A 22 22 GLN HA H 22 4.550 4.191 0.359 1
3 181 . 19 1 1 A 22 22 GLN CA C 22 56.600 58.066 -1.466 1
3 182 . 19 1 1 A 22 22 GLN CB C 22 28.000 28.620 -0.620 1
3 184 . 19 1 1 A 23 23 GLU HA H 23 5.340 5.034 0.306 1
3 189 . 19 1 1 A 23 23 GLU CA C 23 55.500 56.467 -0.967 1
3 190 . 19 1 1 A 23 23 GLU CB C 23 32.400 30.906 1.494 1
3 192 . 19 1 1 A 24 24 LEU HA H 24 4.690 5.181 -0.491 1
3 202 . 19 1 1 A 24 24 LEU CA C 24 53.100 53.614 -0.514 1
3 203 . 19 1 1 A 24 24 LEU CB C 24 46.500 45.937 0.563 1
3 207 . 19 1 1 A 25 25 ASP HA H 25 5.170 4.752 0.418 1
3 210 . 19 1 1 A 25 25 ASP CA C 25 54.100 54.403 -0.303 1
3 211 . 19 1 1 A 25 25 ASP CB C 25 42.300 41.140 1.160 1
3 212 . 19 1 1 A 26 26 ILE HA H 26 5.130 5.254 -0.124 1
3 222 . 19 1 1 A 26 26 ILE CA C 26 59.600 58.931 0.669 1
3 223 . 19 1 1 A 26 26 ILE CB C 26 42.400 42.039 0.361 1
3 227 . 19 1 1 A 27 27 LYS HA H 27 5.100 4.802 0.298 1
3 236 . 19 1 1 A 27 27 LYS CA C 27 52.800 55.174 -2.374 1
3 237 . 19 1 1 A 27 27 LYS CB C 27 35.400 36.550 -1.150 1
3 241 . 19 1 1 A 28 28 LYS HA H 28 3.120 3.956 -0.836 1
3 250 . 19 1 1 A 28 28 LYS CA C 28 59.100 58.309 0.791 1
3 251 . 19 1 1 A 28 28 LYS CB C 28 32.500 32.200 0.300 1
3 255 . 19 1 1 A 29 29 ASN HA H 29 4.180 4.235 -0.055 1
3 258 . 19 1 1 A 29 29 ASN CA C 29 55.800 54.608 1.192 1
3 259 . 19 1 1 A 29 29 ASN CB C 29 37.300 37.103 0.197 1
3 260 . 19 1 1 A 30 30 GLU HA H 30 4.170 4.733 -0.563 1
3 265 . 19 1 1 A 30 30 GLU CA C 30 57.600 55.029 2.571 1
3 266 . 19 1 1 A 30 30 GLU CB C 30 31.700 31.666 0.034 1
3 268 . 19 1 1 A 31 31 ARG HA H 31 4.580 4.754 -0.174 1
3 275 . 19 1 1 A 31 31 ARG CA C 31 56.200 56.204 -0.004 1
3 276 . 19 1 1 A 31 31 ARG CB C 31 30.800 30.782 0.018 1
3 279 . 19 1 1 A 32 32 LEU HA H 32 4.860 4.585 0.275 1
3 289 . 19 1 1 A 32 32 LEU CA C 32 53.200 53.063 0.137 1
3 290 . 19 1 1 A 32 32 LEU CB C 32 46.300 44.076 2.224 1
3 294 . 19 1 1 A 33 33 TRP HA H 33 5.100 5.159 -0.059 1
3 297 . 19 1 1 A 33 33 TRP CA C 33 58.300 56.218 2.082 1
3 298 . 19 1 1 A 33 33 TRP CB C 33 31.000 29.991 1.009 1
3 299 . 19 1 1 A 34 34 LEU HA H 34 4.340 4.370 -0.030 1
3 309 . 19 1 1 A 34 34 LEU CA C 34 55.500 55.920 -0.420 1
3 310 . 19 1 1 A 34 34 LEU CB C 34 43.700 42.577 1.123 1
3 314 . 19 1 1 A 35 35 LEU HA H 35 4.620 4.517 0.103 1
3 324 . 19 1 1 A 35 35 LEU CA C 35 55.400 55.733 -0.333 1
3 325 . 19 1 1 A 35 35 LEU CB C 35 42.700 43.718 -1.018 1
3 329 . 19 1 1 A 36 36 ASP HA H 36 4.760 4.868 -0.108 1
3 332 . 19 1 1 A 36 36 ASP CA C 36 55.300 54.043 1.257 1
3 333 . 19 1 1 A 36 36 ASP CB C 36 43.400 43.031 0.369 1
3 334 . 19 1 1 A 37 37 ASP HA H 37 3.940 4.526 -0.586 1
3 337 . 19 1 1 A 37 37 ASP CA C 37 51.900 52.416 -0.516 1
3 338 . 19 1 1 A 37 37 ASP CB C 37 40.000 39.392 0.608 1
3 339 . 19 1 1 A 38 38 SER HA H 38 4.210 4.616 -0.406 1
3 342 . 19 1 1 A 38 38 SER CA C 38 61.400 59.561 1.839 1
3 343 . 19 1 1 A 38 38 SER CB C 38 63.900 64.579 -0.679 1
3 344 . 19 1 1 A 39 39 LYS HA H 39 4.910 4.471 0.439 1
3 353 . 19 1 1 A 39 39 LYS CA C 39 55.000 56.006 -1.006 1
3 354 . 19 1 1 A 39 39 LYS CB C 39 34.200 33.482 0.718 1
3 358 . 19 1 1 A 40 40 SER HA H 40 4.310 4.237 0.073 1
3 361 . 19 1 1 A 40 40 SER CA C 40 60.700 61.894 -1.194 1
3 362 . 19 1 1 A 40 40 SER CB C 40 63.100 63.380 -0.280 1
3 363 . 19 1 1 A 41 41 TRP HA H 41 4.860 4.869 -0.009 1
3 366 . 19 1 1 A 41 41 TRP CA C 41 56.600 56.762 -0.162 1
3 367 . 19 1 1 A 41 41 TRP CB C 41 29.500 29.871 -0.371 1
3 368 . 19 1 1 A 42 42 TRP HA H 42 5.450 4.976 0.474 1
3 371 . 19 1 1 A 42 42 TRP CA C 42 54.200 57.753 -3.553 1
3 372 . 19 1 1 A 42 42 TRP CB C 42 30.900 29.473 1.427 1
3 373 . 19 1 1 A 43 43 ARG HA H 43 4.550 4.421 0.129 1
3 380 . 19 1 1 A 43 43 ARG CA C 43 55.400 56.109 -0.709 1
3 381 . 19 1 1 A 43 43 ARG CB C 43 32.200 30.042 2.158 1
3 384 . 19 1 1 A 44 44 VAL HA H 44 5.520 5.068 0.452 1
3 392 . 19 1 1 A 44 44 VAL CA C 44 58.800 58.720 0.080 1
3 393 . 19 1 1 A 44 44 VAL CB C 44 36.500 35.924 0.576 1
3 396 . 19 1 1 A 45 45 ARG HA H 45 5.530 5.273 0.257 1
3 403 . 19 1 1 A 45 45 ARG CA C 45 53.600 53.928 -0.328 1
3 404 . 19 1 1 A 45 45 ARG CB C 45 35.400 33.825 1.575 1
3 407 . 19 1 1 A 46 46 ASN HA H 46 5.490 5.405 0.085 1
3 410 . 19 1 1 A 46 46 ASN CA C 46 50.600 51.485 -0.885 1
3 411 . 19 1 1 A 46 46 ASN CB C 46 40.900 41.613 -0.713 1
3 412 . 19 1 1 A 47 47 SER HA H 47 4.320 4.429 -0.109 1
3 415 . 19 1 1 A 47 47 SER CA C 47 61.500 61.808 -0.308 1
3 416 . 19 1 1 A 47 47 SER CB C 47 63.000 62.766 0.234 1
3 417 . 19 1 1 A 48 48 MET HA H 48 4.730 4.580 0.150 1
3 425 . 19 1 1 A 48 48 MET CA C 48 54.400 55.811 -1.411 1
3 426 . 19 1 1 A 48 48 MET CB C 48 31.700 33.302 -1.602 1
3 429 . 19 1 1 A 49 49 ASN HA H 49 4.200 4.450 -0.250 1
3 432 . 19 1 1 A 49 49 ASN CA C 49 54.800 54.352 0.448 1
3 433 . 19 1 1 A 49 49 ASN CB C 49 37.000 36.538 0.462 1
3 434 . 19 1 1 A 50 50 LYS HA H 50 4.560 4.288 0.272 1
3 443 . 19 1 1 A 50 50 LYS CA C 50 55.600 56.615 -1.015 1
3 444 . 19 1 1 A 50 50 LYS CB C 50 33.300 33.047 0.253 1
3 448 . 19 1 1 A 51 51 THR HA H 51 5.740 5.130 0.610 1
3 453 . 19 1 1 A 51 51 THR CA C 51 59.200 60.326 -1.126 1
3 454 . 19 1 1 A 51 51 THR CB C 51 71.700 70.949 0.751 1
3 456 . 19 1 1 A 52 52 GLY HA2 H 52 4.090 4.397 -0.307 1
3 457 . 19 1 1 A 52 52 GLY HA3 H 52 3.920 4.447 -0.527 1
3 458 . 19 1 1 A 52 52 GLY CA C 52 45.600 44.267 1.333 1
3 459 . 19 1 1 A 53 53 PHE HA H 53 5.870 5.095 0.775 1
3 462 . 19 1 1 A 53 53 PHE CA C 53 57.900 58.190 -0.290 1
3 463 . 19 1 1 A 53 53 PHE CB C 53 42.800 40.364 2.436 1
3 464 . 19 1 1 A 54 54 VAL HA H 54 4.790 5.228 -0.438 1
3 472 . 19 1 1 A 54 54 VAL CA C 54 57.500 58.324 -0.824 1
3 473 . 19 1 1 A 54 54 VAL CB C 54 33.300 34.633 -1.333 1
3 476 . 19 1 1 A 55 55 PRO HA H 55 3.230 4.295 -1.065 1
3 483 . 19 1 1 A 55 55 PRO CA C 55 62.300 62.314 -0.014 1
3 484 . 19 1 1 A 55 55 PRO CB C 55 30.400 32.745 -2.345 1
3 487 . 19 1 1 A 57 57 ASN HA H 57 4.480 4.539 -0.059 1
3 490 . 19 1 1 A 57 57 ASN CA C 57 53.700 54.142 -0.442 1
3 491 . 19 1 1 A 57 57 ASN CB C 57 36.600 39.149 -2.549 1
3 492 . 19 1 1 A 58 58 TYR HA H 58 4.460 4.720 -0.260 1
3 495 . 19 1 1 A 58 58 TYR CA C 58 59.000 58.723 0.277 1
3 496 . 19 1 1 A 58 58 TYR CB C 58 38.100 40.397 -2.297 1
3 497 . 19 1 1 A 59 59 VAL HA H 59 5.090 4.985 0.105 1
3 505 . 19 1 1 A 59 59 VAL CA C 59 58.600 59.544 -0.944 1
3 506 . 19 1 1 A 59 59 VAL CB C 59 35.500 34.597 0.903 1
3 509 . 19 1 1 A 60 60 GLU HA H 60 4.790 4.757 0.033 1
3 514 . 19 1 1 A 60 60 GLU CA C 60 54.300 55.549 -1.249 1
3 515 . 19 1 1 A 60 60 GLU CB C 60 33.300 33.703 -0.403 1
3 517 . 19 1 1 A 61 61 ARG HA H 61 4.540 4.652 -0.112 1
3 524 . 19 1 1 A 61 61 ARG CA C 61 56.500 56.416 0.084 1
3 525 . 19 1 1 A 61 61 ARG CB C 61 31.200 30.395 0.805 1
3 528 . 19 1 1 A 62 62 LYS HA H 62 4.380 4.337 0.043 1
3 537 . 19 1 1 A 62 62 LYS CA C 62 55.900 55.815 0.085 1
3 538 . 19 1 1 A 62 62 LYS CB C 62 33.200 33.655 -0.455 1
3 542 . 19 1 1 A 63 63 ASN HA H 63 4.740 5.241 -0.501 1
3 545 . 19 1 1 A 63 63 ASN CA C 63 53.200 52.315 0.885 1
3 546 . 19 1 1 A 63 63 ASN CB C 63 39.000 39.317 -0.317 1
3 547 . 19 1 1 A 64 64 SER HA H 64 4.430 4.297 0.133 1
3 550 . 19 1 1 A 64 64 SER CA C 64 58.400 61.184 -2.784 1
3 551 . 19 1 1 A 64 64 SER CB C 64 63.900 63.256 0.644 1
3 552 . 19 1 1 A 65 65 ALA HA H 65 4.330 4.053 0.277 1
3 556 . 19 1 1 A 65 65 ALA CA C 65 52.700 54.764 -2.064 1
3 557 . 19 1 1 A 65 65 ALA CB C 65 19.300 19.038 0.262 1
3 558 . 19 1 1 A 66 66 ARG HA H 66 4.300 4.150 0.150 1
3 565 . 19 1 1 A 66 66 ARG CA C 66 56.000 58.190 -2.190 1
3 566 . 19 1 1 A 66 66 ARG CB C 66 30.900 29.012 1.888 1
3 569 . 19 1 1 A 67 67 ALA HA H 67 4.300 4.021 0.279 1
3 573 . 19 1 1 A 67 67 ALA CA C 67 52.400 54.901 -2.501 1
3 574 . 19 1 1 A 67 67 ALA CB C 67 19.200 18.907 0.293 1
3 575 . 19 1 1 A 69 69 ALA HA H 69 4.300 4.166 0.134 1
3 579 . 19 1 1 A 69 69 ALA CA C 69 52.400 52.703 -0.303 1
3 580 . 19 1 1 A 70 70 ASN HA H 70 4.750 4.324 0.426 1
3 583 . 19 1 1 A 70 70 ASN CA C 70 53.300 53.892 -0.592 1
3 584 . 19 1 1 A 70 70 ASN CB C 70 39.000 36.957 2.043 1
3 585 . 19 1 1 A 71 71 SER HA H 71 4.520 4.815 -0.295 1
3 588 . 19 1 1 A 71 71 SER CA C 71 58.300 56.527 1.773 1
3 589 . 19 1 1 A 71 71 SER CB C 71 64.000 63.956 0.044 1
3 4 . 20 1 1 A 2 2 SER HA H 2 4.610 4.773 -0.163 1
3 7 . 20 1 1 A 2 2 SER CA C 2 58.200 57.303 0.897 1
3 8 . 20 1 1 A 2 2 SER CB C 2 63.900 66.328 -2.428 1
3 9 . 20 1 1 A 3 3 THR HA H 3 4.380 4.125 0.255 1
3 14 . 20 1 1 A 3 3 THR CA C 3 61.900 64.446 -2.546 1
3 15 . 20 1 1 A 3 3 THR CB C 3 69.700 68.730 0.970 1
3 17 . 20 1 1 A 4 4 MET HA H 4 4.460 4.613 -0.153 1
3 25 . 20 1 1 A 4 4 MET CA C 4 55.400 56.655 -1.255 1
3 26 . 20 1 1 A 4 4 MET CB C 4 32.900 35.190 -2.290 1
3 29 . 20 1 1 A 5 5 ALA HA H 5 4.300 4.277 0.023 1
3 33 . 20 1 1 A 5 5 ALA CA C 5 52.600 52.073 0.527 1
3 34 . 20 1 1 A 5 5 ALA CB C 5 19.300 19.832 -0.532 1
3 35 . 20 1 1 A 6 6 GLU HA H 6 4.300 3.938 0.362 1
3 40 . 20 1 1 A 6 6 GLU CA C 6 56.100 57.219 -1.119 1
3 41 . 20 1 1 A 6 6 GLU CB C 6 30.700 28.302 2.398 1
3 43 . 20 1 1 A 7 7 GLU HA H 7 4.440 4.811 -0.371 1
3 48 . 20 1 1 A 7 7 GLU CA C 7 56.400 55.981 0.419 1
3 49 . 20 1 1 A 7 7 GLU CB C 7 30.700 33.469 -2.769 1
3 51 . 20 1 1 A 8 8 VAL HA H 8 4.210 4.845 -0.635 1
3 59 . 20 1 1 A 8 8 VAL CA C 8 62.200 60.701 1.499 1
3 60 . 20 1 1 A 8 8 VAL CB C 8 33.300 35.473 -2.173 1
3 63 . 20 1 1 A 9 9 VAL HA H 9 4.430 4.935 -0.505 1
3 71 . 20 1 1 A 9 9 VAL CA C 9 61.600 59.480 2.120 1
3 72 . 20 1 1 A 9 9 VAL CB C 9 32.900 34.728 -1.828 1
3 75 . 20 1 1 A 10 10 VAL HA H 10 4.990 5.397 -0.407 1
3 83 . 20 1 1 A 10 10 VAL CA C 10 58.200 59.668 -1.468 1
3 84 . 20 1 1 A 10 10 VAL CB C 10 35.100 34.923 0.177 1
3 87 . 20 1 1 A 11 11 VAL HA H 11 5.010 4.749 0.261 1
3 95 . 20 1 1 A 11 11 VAL CA C 11 59.500 59.841 -0.341 1
3 96 . 20 1 1 A 11 11 VAL CB C 11 35.100 34.013 1.087 1
3 99 . 20 1 1 A 12 12 ALA HA H 12 4.570 5.160 -0.590 1
3 103 . 20 1 1 A 12 12 ALA CA C 12 52.700 50.598 2.102 1
3 104 . 20 1 1 A 12 12 ALA CB C 12 19.900 20.674 -0.774 1
3 105 . 20 1 1 A 13 13 LYS HA H 13 3.850 4.287 -0.437 1
3 114 . 20 1 1 A 13 13 LYS CA C 13 57.200 56.612 0.588 1
3 115 . 20 1 1 A 13 13 LYS CB C 13 33.800 33.841 -0.041 1
3 119 . 20 1 1 A 14 14 PHE HA H 14 4.820 5.143 -0.323 1
3 122 . 20 1 1 A 14 14 PHE CA C 14 53.600 56.700 -3.100 1
3 123 . 20 1 1 A 14 14 PHE CB C 14 43.600 43.525 0.075 1
3 124 . 20 1 1 A 15 15 ASP HA H 15 4.810 5.688 -0.878 1
3 127 . 20 1 1 A 15 15 ASP CA C 15 54.500 53.038 1.462 1
3 128 . 20 1 1 A 15 15 ASP CB C 15 41.700 43.165 -1.465 1
3 129 . 20 1 1 A 16 16 TYR HA H 16 4.770 5.217 -0.447 1
3 132 . 20 1 1 A 16 16 TYR CA C 16 59.300 56.832 2.468 1
3 133 . 20 1 1 A 16 16 TYR CB C 16 41.600 42.206 -0.606 1
3 134 . 20 1 1 A 17 17 VAL HA H 17 4.160 4.217 -0.057 1
3 142 . 20 1 1 A 17 17 VAL CA C 17 60.500 60.819 -0.319 1
3 143 . 20 1 1 A 17 17 VAL CB C 17 32.200 32.806 -0.606 1
3 146 . 20 1 1 A 18 18 ALA HA H 18 4.240 4.736 -0.496 1
3 150 . 20 1 1 A 18 18 ALA CA C 18 53.200 51.597 1.603 1
3 151 . 20 1 1 A 18 18 ALA CB C 18 19.900 18.269 1.631 1
3 152 . 20 1 1 A 19 19 GLN HA H 19 4.310 3.970 0.340 1
3 157 . 20 1 1 A 19 19 GLN CA C 19 55.100 59.401 -4.301 1
3 158 . 20 1 1 A 19 19 GLN CB C 19 31.100 28.559 2.541 1
3 160 . 20 1 1 A 20 20 GLN HA H 20 4.590 4.394 0.196 1
3 165 . 20 1 1 A 20 20 GLN CA C 20 53.900 55.211 -1.311 1
3 166 . 20 1 1 A 20 20 GLN CB C 20 32.400 29.438 2.962 1
3 168 . 20 1 1 A 21 21 GLU HA H 21 4.100 4.069 0.031 1
3 173 . 20 1 1 A 21 21 GLU CA C 21 59.500 58.569 0.931 1
3 174 . 20 1 1 A 21 21 GLU CB C 21 29.700 29.157 0.543 1
3 176 . 20 1 1 A 22 22 GLN HA H 22 4.550 4.157 0.393 1
3 181 . 20 1 1 A 22 22 GLN CA C 22 56.600 58.316 -1.716 1
3 182 . 20 1 1 A 22 22 GLN CB C 22 28.000 28.615 -0.615 1
3 184 . 20 1 1 A 23 23 GLU HA H 23 5.340 4.971 0.369 1
3 189 . 20 1 1 A 23 23 GLU CA C 23 55.500 56.785 -1.285 1
3 190 . 20 1 1 A 23 23 GLU CB C 23 32.400 30.962 1.438 1
3 192 . 20 1 1 A 24 24 LEU HA H 24 4.690 5.188 -0.498 1
3 202 . 20 1 1 A 24 24 LEU CA C 24 53.100 53.615 -0.515 1
3 203 . 20 1 1 A 24 24 LEU CB C 24 46.500 45.857 0.643 1
3 207 . 20 1 1 A 25 25 ASP HA H 25 5.170 4.683 0.487 1
3 210 . 20 1 1 A 25 25 ASP CA C 25 54.100 54.748 -0.648 1
3 211 . 20 1 1 A 25 25 ASP CB C 25 42.300 41.026 1.274 1
3 212 . 20 1 1 A 26 26 ILE HA H 26 5.130 5.254 -0.124 1
3 222 . 20 1 1 A 26 26 ILE CA C 26 59.600 58.937 0.663 1
3 223 . 20 1 1 A 26 26 ILE CB C 26 42.400 42.035 0.365 1
3 227 . 20 1 1 A 27 27 LYS HA H 27 5.100 4.794 0.306 1
3 236 . 20 1 1 A 27 27 LYS CA C 27 52.800 55.093 -2.293 1
3 237 . 20 1 1 A 27 27 LYS CB C 27 35.400 36.599 -1.199 1
3 241 . 20 1 1 A 28 28 LYS HA H 28 3.120 3.923 -0.803 1
3 250 . 20 1 1 A 28 28 LYS CA C 28 59.100 58.292 0.808 1
3 251 . 20 1 1 A 28 28 LYS CB C 28 32.500 32.133 0.367 1
3 255 . 20 1 1 A 29 29 ASN HA H 29 4.180 4.262 -0.082 1
3 258 . 20 1 1 A 29 29 ASN CA C 29 55.800 54.370 1.430 1
3 259 . 20 1 1 A 29 29 ASN CB C 29 37.300 37.166 0.134 1
3 260 . 20 1 1 A 30 30 GLU HA H 30 4.170 4.752 -0.582 1
3 265 . 20 1 1 A 30 30 GLU CA C 30 57.600 55.219 2.381 1
3 266 . 20 1 1 A 30 30 GLU CB C 30 31.700 31.849 -0.149 1
3 268 . 20 1 1 A 31 31 ARG HA H 31 4.580 4.600 -0.020 1
3 275 . 20 1 1 A 31 31 ARG CA C 31 56.200 55.919 0.281 1
3 276 . 20 1 1 A 31 31 ARG CB C 31 30.800 30.884 -0.084 1
3 279 . 20 1 1 A 32 32 LEU HA H 32 4.860 4.575 0.285 1
3 289 . 20 1 1 A 32 32 LEU CA C 32 53.200 52.909 0.291 1
3 290 . 20 1 1 A 32 32 LEU CB C 32 46.300 45.379 0.921 1
3 294 . 20 1 1 A 33 33 TRP HA H 33 5.100 5.224 -0.124 1
3 297 . 20 1 1 A 33 33 TRP CA C 33 58.300 56.101 2.199 1
3 298 . 20 1 1 A 33 33 TRP CB C 33 31.000 30.058 0.942 1
3 299 . 20 1 1 A 34 34 LEU HA H 34 4.340 4.380 -0.040 1
3 309 . 20 1 1 A 34 34 LEU CA C 34 55.500 55.781 -0.281 1
3 310 . 20 1 1 A 34 34 LEU CB C 34 43.700 42.280 1.420 1
3 314 . 20 1 1 A 35 35 LEU HA H 35 4.620 4.364 0.256 1
3 324 . 20 1 1 A 35 35 LEU CA C 35 55.400 55.965 -0.565 1
3 325 . 20 1 1 A 35 35 LEU CB C 35 42.700 42.699 0.001 1
3 329 . 20 1 1 A 36 36 ASP HA H 36 4.760 5.001 -0.241 1
3 332 . 20 1 1 A 36 36 ASP CA C 36 55.300 52.999 2.301 1
3 333 . 20 1 1 A 36 36 ASP CB C 36 43.400 42.765 0.635 1
3 334 . 20 1 1 A 37 37 ASP HA H 37 3.940 4.722 -0.782 1
3 337 . 20 1 1 A 37 37 ASP CA C 37 51.900 52.446 -0.546 1
3 338 . 20 1 1 A 37 37 ASP CB C 37 40.000 39.606 0.394 1
3 339 . 20 1 1 A 38 38 SER HA H 38 4.210 4.594 -0.384 1
3 342 . 20 1 1 A 38 38 SER CA C 38 61.400 60.910 0.490 1
3 343 . 20 1 1 A 38 38 SER CB C 38 63.900 64.349 -0.449 1
3 344 . 20 1 1 A 39 39 LYS HA H 39 4.910 4.488 0.422 1
3 353 . 20 1 1 A 39 39 LYS CA C 39 55.000 55.997 -0.997 1
3 354 . 20 1 1 A 39 39 LYS CB C 39 34.200 33.437 0.763 1
3 358 . 20 1 1 A 40 40 SER HA H 40 4.310 4.222 0.088 1
3 361 . 20 1 1 A 40 40 SER CA C 40 60.700 61.873 -1.173 1
3 362 . 20 1 1 A 40 40 SER CB C 40 63.100 63.249 -0.149 1
3 363 . 20 1 1 A 41 41 TRP HA H 41 4.860 4.886 -0.026 1
3 366 . 20 1 1 A 41 41 TRP CA C 41 56.600 56.791 -0.191 1
3 367 . 20 1 1 A 41 41 TRP CB C 41 29.500 29.630 -0.130 1
3 368 . 20 1 1 A 42 42 TRP HA H 42 5.450 4.982 0.468 1
3 371 . 20 1 1 A 42 42 TRP CA C 42 54.200 57.744 -3.544 1
3 372 . 20 1 1 A 42 42 TRP CB C 42 30.900 29.455 1.445 1
3 373 . 20 1 1 A 43 43 ARG HA H 43 4.550 4.432 0.118 1
3 380 . 20 1 1 A 43 43 ARG CA C 43 55.400 56.019 -0.619 1
3 381 . 20 1 1 A 43 43 ARG CB C 43 32.200 30.000 2.200 1
3 384 . 20 1 1 A 44 44 VAL HA H 44 5.520 5.203 0.317 1
3 392 . 20 1 1 A 44 44 VAL CA C 44 58.800 58.702 0.098 1
3 393 . 20 1 1 A 44 44 VAL CB C 44 36.500 35.789 0.711 1
3 396 . 20 1 1 A 45 45 ARG HA H 45 5.530 5.274 0.256 1
3 403 . 20 1 1 A 45 45 ARG CA C 45 53.600 53.928 -0.328 1
3 404 . 20 1 1 A 45 45 ARG CB C 45 35.400 33.743 1.657 1
3 407 . 20 1 1 A 46 46 ASN HA H 46 5.490 5.422 0.068 1
3 410 . 20 1 1 A 46 46 ASN CA C 46 50.600 51.537 -0.937 1
3 411 . 20 1 1 A 46 46 ASN CB C 46 40.900 41.447 -0.547 1
3 412 . 20 1 1 A 47 47 SER HA H 47 4.320 4.435 -0.115 1
3 415 . 20 1 1 A 47 47 SER CA C 47 61.500 61.882 -0.382 1
3 416 . 20 1 1 A 47 47 SER CB C 47 63.000 62.725 0.275 1
3 417 . 20 1 1 A 48 48 MET HA H 48 4.730 4.581 0.149 1
3 425 . 20 1 1 A 48 48 MET CA C 48 54.400 55.814 -1.414 1
3 426 . 20 1 1 A 48 48 MET CB C 48 31.700 33.306 -1.606 1
3 429 . 20 1 1 A 49 49 ASN HA H 49 4.200 4.451 -0.251 1
3 432 . 20 1 1 A 49 49 ASN CA C 49 54.800 54.349 0.451 1
3 433 . 20 1 1 A 49 49 ASN CB C 49 37.000 36.535 0.465 1
3 434 . 20 1 1 A 50 50 LYS HA H 50 4.560 4.315 0.245 1
3 443 . 20 1 1 A 50 50 LYS CA C 50 55.600 56.582 -0.982 1
3 444 . 20 1 1 A 50 50 LYS CB C 50 33.300 33.078 0.222 1
3 448 . 20 1 1 A 51 51 THR HA H 51 5.740 5.182 0.558 1
3 453 . 20 1 1 A 51 51 THR CA C 51 59.200 60.339 -1.139 1
3 454 . 20 1 1 A 51 51 THR CB C 51 71.700 71.061 0.639 1
3 456 . 20 1 1 A 52 52 GLY HA2 H 52 4.090 4.381 -0.291 1
3 457 . 20 1 1 A 52 52 GLY HA3 H 52 3.920 4.429 -0.509 1
3 458 . 20 1 1 A 52 52 GLY CA C 52 45.600 44.239 1.361 1
3 459 . 20 1 1 A 53 53 PHE HA H 53 5.870 5.062 0.808 1
3 462 . 20 1 1 A 53 53 PHE CA C 53 57.900 58.233 -0.333 1
3 463 . 20 1 1 A 53 53 PHE CB C 53 42.800 40.540 2.260 1
3 464 . 20 1 1 A 54 54 VAL HA H 54 4.790 5.099 -0.309 1
3 472 . 20 1 1 A 54 54 VAL CA C 54 57.500 58.622 -1.122 1
3 473 . 20 1 1 A 54 54 VAL CB C 54 33.300 35.188 -1.888 1
3 476 . 20 1 1 A 55 55 PRO HA H 55 3.230 4.313 -1.083 1
3 483 . 20 1 1 A 55 55 PRO CA C 55 62.300 62.323 -0.023 1
3 484 . 20 1 1 A 55 55 PRO CB C 55 30.400 32.674 -2.274 1
3 487 . 20 1 1 A 57 57 ASN HA H 57 4.480 4.594 -0.114 1
3 490 . 20 1 1 A 57 57 ASN CA C 57 53.700 54.472 -0.772 1
3 491 . 20 1 1 A 57 57 ASN CB C 57 36.600 38.722 -2.122 1
3 492 . 20 1 1 A 58 58 TYR HA H 58 4.460 4.647 -0.187 1
3 495 . 20 1 1 A 58 58 TYR CA C 58 59.000 59.068 -0.068 1
3 496 . 20 1 1 A 58 58 TYR CB C 58 38.100 40.381 -2.281 1
3 497 . 20 1 1 A 59 59 VAL HA H 59 5.090 5.274 -0.184 1
3 505 . 20 1 1 A 59 59 VAL CA C 59 58.600 59.244 -0.644 1
3 506 . 20 1 1 A 59 59 VAL CB C 59 35.500 34.741 0.759 1
3 509 . 20 1 1 A 60 60 GLU HA H 60 4.790 4.868 -0.078 1
3 514 . 20 1 1 A 60 60 GLU CA C 60 54.300 55.550 -1.250 1
3 515 . 20 1 1 A 60 60 GLU CB C 60 33.300 33.956 -0.656 1
3 517 . 20 1 1 A 61 61 ARG HA H 61 4.540 4.661 -0.121 1
3 524 . 20 1 1 A 61 61 ARG CA C 61 56.500 56.334 0.166 1
3 525 . 20 1 1 A 61 61 ARG CB C 61 31.200 30.458 0.742 1
3 528 . 20 1 1 A 62 62 LYS HA H 62 4.380 4.345 0.035 1
3 537 . 20 1 1 A 62 62 LYS CA C 62 55.900 56.825 -0.925 1
3 538 . 20 1 1 A 62 62 LYS CB C 62 33.200 33.379 -0.179 1
3 542 . 20 1 1 A 63 63 ASN HA H 63 4.740 5.075 -0.335 1
3 545 . 20 1 1 A 63 63 ASN CA C 63 53.200 51.785 1.415 1
3 546 . 20 1 1 A 63 63 ASN CB C 63 39.000 39.288 -0.288 1
3 547 . 20 1 1 A 64 64 SER HA H 64 4.430 4.397 0.033 1
3 550 . 20 1 1 A 64 64 SER CA C 64 58.400 58.433 -0.033 1
3 551 . 20 1 1 A 64 64 SER CB C 64 63.900 64.052 -0.152 1
3 552 . 20 1 1 A 65 65 ALA HA H 65 4.330 4.432 -0.102 1
3 556 . 20 1 1 A 65 65 ALA CA C 65 52.700 51.845 0.855 1
3 557 . 20 1 1 A 65 65 ALA CB C 65 19.300 18.317 0.983 1
3 558 . 20 1 1 A 66 66 ARG HA H 66 4.300 4.812 -0.512 1
3 565 . 20 1 1 A 66 66 ARG CA C 66 56.000 54.126 1.874 1
3 566 . 20 1 1 A 66 66 ARG CB C 66 30.900 33.298 -2.398 1
3 569 . 20 1 1 A 67 67 ALA HA H 67 4.300 4.181 0.119 1
3 573 . 20 1 1 A 67 67 ALA CA C 67 52.400 53.720 -1.320 1
3 574 . 20 1 1 A 67 67 ALA CB C 67 19.200 19.057 0.143 1
3 575 . 20 1 1 A 69 69 ALA HA H 69 4.300 4.244 0.056 1
3 579 . 20 1 1 A 69 69 ALA CA C 69 52.400 53.042 -0.642 1
3 580 . 20 1 1 A 70 70 ASN HA H 70 4.750 4.630 0.120 1
3 583 . 20 1 1 A 70 70 ASN CA C 70 53.300 54.416 -1.116 1
3 584 . 20 1 1 A 70 70 ASN CB C 70 39.000 38.562 0.438 1
3 585 . 20 1 1 A 71 71 SER HA H 71 4.520 5.134 -0.614 1
3 588 . 20 1 1 A 71 71 SER CA C 71 58.300 56.505 1.795 1
3 589 . 20 1 1 A 71 71 SER CB C 71 64.000 63.509 0.491 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 67 0.519 1
5 1 1 1 "RMS(OBS, PRED)" HA 69 0.380 1
6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 67 0.506 1
11 1 2 1 "RMS(OBS, PRED)" HA 69 0.379 1
12 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 67 0.474 1
17 1 3 1 "RMS(OBS, PRED)" HA 69 0.391 1
18 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 67 0.499 1
23 1 4 1 "RMS(OBS, PRED)" HA 69 0.381 1
24 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 67 0.525 1
29 1 5 1 "RMS(OBS, PRED)" HA 69 0.386 1
30 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 67 0.484 1
35 1 6 1 "RMS(OBS, PRED)" HA 69 0.391 1
36 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 67 0.471 1
41 1 7 1 "RMS(OBS, PRED)" HA 69 0.373 1
42 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 67 0.486 1
47 1 8 1 "RMS(OBS, PRED)" HA 69 0.400 1
48 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 67 0.505 1
53 1 9 1 "RMS(OBS, PRED)" HA 69 0.374 1
54 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 67 0.490 1
59 1 10 1 "RMS(OBS, PRED)" HA 69 0.397 1
60 1 10 1 "RMS(OBS, PRED)" N 0 0.000 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 67 0.521 1
65 1 11 1 "RMS(OBS, PRED)" HA 69 0.388 1
66 1 11 1 "RMS(OBS, PRED)" N 0 0.000 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 67 0.524 1
71 1 12 1 "RMS(OBS, PRED)" HA 69 0.400 1
72 1 12 1 "RMS(OBS, PRED)" N 0 0.000 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 67 0.501 1
77 1 13 1 "RMS(OBS, PRED)" HA 69 0.381 1
78 1 13 1 "RMS(OBS, PRED)" N 0 0.000 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 67 0.492 1
83 1 14 1 "RMS(OBS, PRED)" HA 69 0.405 1
84 1 14 1 "RMS(OBS, PRED)" N 0 0.000 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 67 0.496 1
89 1 15 1 "RMS(OBS, PRED)" HA 69 0.384 1
90 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 67 0.491 1
95 1 16 1 "RMS(OBS, PRED)" HA 69 0.365 1
96 1 16 1 "RMS(OBS, PRED)" N 0 0.000 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 67 0.471 1
101 1 17 1 "RMS(OBS, PRED)" HA 69 0.405 1
102 1 17 1 "RMS(OBS, PRED)" N 0 0.000 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 67 0.504 1
107 1 18 1 "RMS(OBS, PRED)" HA 69 0.388 1
108 1 18 1 "RMS(OBS, PRED)" N 0 0.000 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 67 0.521 1
113 1 19 1 "RMS(OBS, PRED)" HA 69 0.374 1
114 1 19 1 "RMS(OBS, PRED)" N 0 0.000 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 67 0.518 1
119 1 20 1 "RMS(OBS, PRED)" HA 69 0.389 1
120 1 20 1 "RMS(OBS, PRED)" N 0 0.000 1
121 2 1 1 "RMS(OBS, PRED)" C 67 1.105 1
122 2 1 1 "RMS(OBS, PRED)" CA 68 1.502 1
123 2 1 1 "RMS(OBS, PRED)" CB 67 1.219 1
124 2 1 1 "RMS(OBS, PRED)" H 67 0.521 1
125 2 1 1 "RMS(OBS, PRED)" HA 69 0.362 1
126 2 1 1 "RMS(OBS, PRED)" N 67 3.198 1
127 2 2 1 "RMS(OBS, PRED)" C 67 0.990 1
128 2 2 1 "RMS(OBS, PRED)" CA 68 1.504 1
129 2 2 1 "RMS(OBS, PRED)" CB 67 1.202 1
130 2 2 1 "RMS(OBS, PRED)" H 67 0.501 1
131 2 2 1 "RMS(OBS, PRED)" HA 69 0.355 1
132 2 2 1 "RMS(OBS, PRED)" N 67 3.129 1
133 2 3 1 "RMS(OBS, PRED)" C 67 0.967 1
134 2 3 1 "RMS(OBS, PRED)" CA 68 1.521 1
135 2 3 1 "RMS(OBS, PRED)" CB 67 1.251 1
136 2 3 1 "RMS(OBS, PRED)" H 67 0.477 1
137 2 3 1 "RMS(OBS, PRED)" HA 69 0.365 1
138 2 3 1 "RMS(OBS, PRED)" N 67 2.993 1
139 2 4 1 "RMS(OBS, PRED)" C 67 0.926 1
140 2 4 1 "RMS(OBS, PRED)" CA 68 1.575 1
141 2 4 1 "RMS(OBS, PRED)" CB 67 1.209 1
142 2 4 1 "RMS(OBS, PRED)" H 67 0.496 1
143 2 4 1 "RMS(OBS, PRED)" HA 69 0.360 1
144 2 4 1 "RMS(OBS, PRED)" N 67 3.304 1
145 2 5 1 "RMS(OBS, PRED)" C 67 0.979 1
146 2 5 1 "RMS(OBS, PRED)" CA 68 1.556 1
147 2 5 1 "RMS(OBS, PRED)" CB 67 1.213 1
148 2 5 1 "RMS(OBS, PRED)" H 67 0.525 1
149 2 5 1 "RMS(OBS, PRED)" HA 69 0.365 1
150 2 5 1 "RMS(OBS, PRED)" N 67 3.364 1
151 2 6 1 "RMS(OBS, PRED)" C 67 1.047 1
152 2 6 1 "RMS(OBS, PRED)" CA 68 1.542 1
153 2 6 1 "RMS(OBS, PRED)" CB 67 1.211 1
154 2 6 1 "RMS(OBS, PRED)" H 67 0.484 1
155 2 6 1 "RMS(OBS, PRED)" HA 69 0.368 1
156 2 6 1 "RMS(OBS, PRED)" N 67 3.185 1
157 2 7 1 "RMS(OBS, PRED)" C 67 1.024 1
158 2 7 1 "RMS(OBS, PRED)" CA 68 1.488 1
159 2 7 1 "RMS(OBS, PRED)" CB 67 1.096 1
160 2 7 1 "RMS(OBS, PRED)" H 67 0.474 1
161 2 7 1 "RMS(OBS, PRED)" HA 69 0.348 1
162 2 7 1 "RMS(OBS, PRED)" N 67 3.403 1
163 2 8 1 "RMS(OBS, PRED)" C 67 0.974 1
164 2 8 1 "RMS(OBS, PRED)" CA 68 1.447 1
165 2 8 1 "RMS(OBS, PRED)" CB 67 1.328 1
166 2 8 1 "RMS(OBS, PRED)" H 67 0.486 1
167 2 8 1 "RMS(OBS, PRED)" HA 69 0.378 1
168 2 8 1 "RMS(OBS, PRED)" N 67 3.097 1
169 2 9 1 "RMS(OBS, PRED)" C 67 0.950 1
170 2 9 1 "RMS(OBS, PRED)" CA 68 1.454 1
171 2 9 1 "RMS(OBS, PRED)" CB 67 1.275 1
172 2 9 1 "RMS(OBS, PRED)" H 67 0.501 1
173 2 9 1 "RMS(OBS, PRED)" HA 69 0.353 1
174 2 9 1 "RMS(OBS, PRED)" N 67 3.010 1
175 2 10 1 "RMS(OBS, PRED)" C 67 1.071 1
176 2 10 1 "RMS(OBS, PRED)" CA 68 1.614 1
177 2 10 1 "RMS(OBS, PRED)" CB 67 1.159 1
178 2 10 1 "RMS(OBS, PRED)" H 67 0.492 1
179 2 10 1 "RMS(OBS, PRED)" HA 69 0.375 1
180 2 10 1 "RMS(OBS, PRED)" N 67 3.287 1
181 2 11 1 "RMS(OBS, PRED)" C 67 1.001 1
182 2 11 1 "RMS(OBS, PRED)" CA 68 1.579 1
183 2 11 1 "RMS(OBS, PRED)" CB 67 1.302 1
184 2 11 1 "RMS(OBS, PRED)" H 67 0.516 1
185 2 11 1 "RMS(OBS, PRED)" HA 69 0.364 1
186 2 11 1 "RMS(OBS, PRED)" N 67 3.036 1
187 2 12 1 "RMS(OBS, PRED)" C 67 1.028 1
188 2 12 1 "RMS(OBS, PRED)" CA 68 1.521 1
189 2 12 1 "RMS(OBS, PRED)" CB 67 1.408 1
190 2 12 1 "RMS(OBS, PRED)" H 67 0.522 1
191 2 12 1 "RMS(OBS, PRED)" HA 69 0.381 1
192 2 12 1 "RMS(OBS, PRED)" N 67 3.438 1
193 2 13 1 "RMS(OBS, PRED)" C 67 1.007 1
194 2 13 1 "RMS(OBS, PRED)" CA 68 1.485 1
195 2 13 1 "RMS(OBS, PRED)" CB 67 1.146 1
196 2 13 1 "RMS(OBS, PRED)" H 67 0.496 1
197 2 13 1 "RMS(OBS, PRED)" HA 69 0.358 1
198 2 13 1 "RMS(OBS, PRED)" N 67 3.361 1
199 2 14 1 "RMS(OBS, PRED)" C 67 0.974 1
200 2 14 1 "RMS(OBS, PRED)" CA 68 1.545 1
201 2 14 1 "RMS(OBS, PRED)" CB 67 1.396 1
202 2 14 1 "RMS(OBS, PRED)" H 67 0.488 1
203 2 14 1 "RMS(OBS, PRED)" HA 69 0.387 1
204 2 14 1 "RMS(OBS, PRED)" N 67 3.208 1
205 2 15 1 "RMS(OBS, PRED)" C 67 1.051 1
206 2 15 1 "RMS(OBS, PRED)" CA 68 1.497 1
207 2 15 1 "RMS(OBS, PRED)" CB 67 1.275 1
208 2 15 1 "RMS(OBS, PRED)" H 67 0.500 1
209 2 15 1 "RMS(OBS, PRED)" HA 69 0.361 1
210 2 15 1 "RMS(OBS, PRED)" N 67 3.322 1
211 2 16 1 "RMS(OBS, PRED)" C 67 1.048 1
212 2 16 1 "RMS(OBS, PRED)" CA 68 1.491 1
213 2 16 1 "RMS(OBS, PRED)" CB 67 1.255 1
214 2 16 1 "RMS(OBS, PRED)" H 67 0.498 1
215 2 16 1 "RMS(OBS, PRED)" HA 69 0.349 1
216 2 16 1 "RMS(OBS, PRED)" N 67 3.339 1
217 2 17 1 "RMS(OBS, PRED)" C 67 1.076 1
218 2 17 1 "RMS(OBS, PRED)" CA 68 1.501 1
219 2 17 1 "RMS(OBS, PRED)" CB 67 1.305 1
220 2 17 1 "RMS(OBS, PRED)" H 67 0.468 1
221 2 17 1 "RMS(OBS, PRED)" HA 69 0.382 1
222 2 17 1 "RMS(OBS, PRED)" N 67 3.127 1
223 2 18 1 "RMS(OBS, PRED)" C 67 1.039 1
224 2 18 1 "RMS(OBS, PRED)" CA 68 1.513 1
225 2 18 1 "RMS(OBS, PRED)" CB 67 1.235 1
226 2 18 1 "RMS(OBS, PRED)" H 67 0.504 1
227 2 18 1 "RMS(OBS, PRED)" HA 69 0.366 1
228 2 18 1 "RMS(OBS, PRED)" N 67 3.364 1
229 2 19 1 "RMS(OBS, PRED)" C 67 0.985 1
230 2 19 1 "RMS(OBS, PRED)" CA 68 1.545 1
231 2 19 1 "RMS(OBS, PRED)" CB 67 1.271 1
232 2 19 1 "RMS(OBS, PRED)" H 67 0.524 1
233 2 19 1 "RMS(OBS, PRED)" HA 69 0.356 1
234 2 19 1 "RMS(OBS, PRED)" N 67 3.281 1
235 2 20 1 "RMS(OBS, PRED)" C 67 1.005 1
236 2 20 1 "RMS(OBS, PRED)" CA 68 1.428 1
237 2 20 1 "RMS(OBS, PRED)" CB 67 1.292 1
238 2 20 1 "RMS(OBS, PRED)" H 67 0.517 1
239 2 20 1 "RMS(OBS, PRED)" HA 69 0.368 1
240 2 20 1 "RMS(OBS, PRED)" N 67 3.175 1
241 3 1 1 "RMS(OBS, PRED)" C 0 0.000 1
242 3 1 1 "RMS(OBS, PRED)" CA 68 1.472 1
243 3 1 1 "RMS(OBS, PRED)" CB 66 1.253 1
244 3 1 1 "RMS(OBS, PRED)" H 0 0.000 1
245 3 1 1 "RMS(OBS, PRED)" HA 69 0.383 1
246 3 1 1 "RMS(OBS, PRED)" N 0 0.000 1
247 3 2 1 "RMS(OBS, PRED)" C 0 0.000 1
248 3 2 1 "RMS(OBS, PRED)" CA 68 1.461 1
249 3 2 1 "RMS(OBS, PRED)" CB 66 1.210 1
250 3 2 1 "RMS(OBS, PRED)" H 0 0.000 1
251 3 2 1 "RMS(OBS, PRED)" HA 69 0.380 1
252 3 2 1 "RMS(OBS, PRED)" N 0 0.000 1
253 3 3 1 "RMS(OBS, PRED)" C 0 0.000 1
254 3 3 1 "RMS(OBS, PRED)" CA 68 1.531 1
255 3 3 1 "RMS(OBS, PRED)" CB 66 1.257 1
256 3 3 1 "RMS(OBS, PRED)" H 0 0.000 1
257 3 3 1 "RMS(OBS, PRED)" HA 69 0.391 1
258 3 3 1 "RMS(OBS, PRED)" N 0 0.000 1
259 3 4 1 "RMS(OBS, PRED)" C 0 0.000 1
260 3 4 1 "RMS(OBS, PRED)" CA 68 1.546 1
261 3 4 1 "RMS(OBS, PRED)" CB 66 1.238 1
262 3 4 1 "RMS(OBS, PRED)" H 0 0.000 1
263 3 4 1 "RMS(OBS, PRED)" HA 69 0.381 1
264 3 4 1 "RMS(OBS, PRED)" N 0 0.000 1
265 3 5 1 "RMS(OBS, PRED)" C 0 0.000 1
266 3 5 1 "RMS(OBS, PRED)" CA 68 1.555 1
267 3 5 1 "RMS(OBS, PRED)" CB 66 1.245 1
268 3 5 1 "RMS(OBS, PRED)" H 0 0.000 1
269 3 5 1 "RMS(OBS, PRED)" HA 69 0.389 1
270 3 5 1 "RMS(OBS, PRED)" N 0 0.000 1
271 3 6 1 "RMS(OBS, PRED)" C 0 0.000 1
272 3 6 1 "RMS(OBS, PRED)" CA 68 1.546 1
273 3 6 1 "RMS(OBS, PRED)" CB 66 1.264 1
274 3 6 1 "RMS(OBS, PRED)" H 0 0.000 1
275 3 6 1 "RMS(OBS, PRED)" HA 69 0.390 1
276 3 6 1 "RMS(OBS, PRED)" N 0 0.000 1
277 3 7 1 "RMS(OBS, PRED)" C 0 0.000 1
278 3 7 1 "RMS(OBS, PRED)" CA 68 1.464 1
279 3 7 1 "RMS(OBS, PRED)" CB 66 1.146 1
280 3 7 1 "RMS(OBS, PRED)" H 0 0.000 1
281 3 7 1 "RMS(OBS, PRED)" HA 69 0.375 1
282 3 7 1 "RMS(OBS, PRED)" N 0 0.000 1
283 3 8 1 "RMS(OBS, PRED)" C 0 0.000 1
284 3 8 1 "RMS(OBS, PRED)" CA 68 1.449 1
285 3 8 1 "RMS(OBS, PRED)" CB 66 1.389 1
286 3 8 1 "RMS(OBS, PRED)" H 0 0.000 1
287 3 8 1 "RMS(OBS, PRED)" HA 69 0.401 1
288 3 8 1 "RMS(OBS, PRED)" N 0 0.000 1
289 3 9 1 "RMS(OBS, PRED)" C 0 0.000 1
290 3 9 1 "RMS(OBS, PRED)" CA 68 1.464 1
291 3 9 1 "RMS(OBS, PRED)" CB 66 1.281 1
292 3 9 1 "RMS(OBS, PRED)" H 0 0.000 1
293 3 9 1 "RMS(OBS, PRED)" HA 69 0.376 1
294 3 9 1 "RMS(OBS, PRED)" N 0 0.000 1
295 3 10 1 "RMS(OBS, PRED)" C 0 0.000 1
296 3 10 1 "RMS(OBS, PRED)" CA 68 1.581 1
297 3 10 1 "RMS(OBS, PRED)" CB 66 1.195 1
298 3 10 1 "RMS(OBS, PRED)" H 0 0.000 1
299 3 10 1 "RMS(OBS, PRED)" HA 69 0.397 1
300 3 10 1 "RMS(OBS, PRED)" N 0 0.000 1
301 3 11 1 "RMS(OBS, PRED)" C 0 0.000 1
302 3 11 1 "RMS(OBS, PRED)" CA 68 1.587 1
303 3 11 1 "RMS(OBS, PRED)" CB 66 1.305 1
304 3 11 1 "RMS(OBS, PRED)" H 0 0.000 1
305 3 11 1 "RMS(OBS, PRED)" HA 69 0.389 1
306 3 11 1 "RMS(OBS, PRED)" N 0 0.000 1
307 3 12 1 "RMS(OBS, PRED)" C 0 0.000 1
308 3 12 1 "RMS(OBS, PRED)" CA 68 1.478 1
309 3 12 1 "RMS(OBS, PRED)" CB 66 1.442 1
310 3 12 1 "RMS(OBS, PRED)" H 0 0.000 1
311 3 12 1 "RMS(OBS, PRED)" HA 69 0.402 1
312 3 12 1 "RMS(OBS, PRED)" N 0 0.000 1
313 3 13 1 "RMS(OBS, PRED)" C 0 0.000 1
314 3 13 1 "RMS(OBS, PRED)" CA 68 1.455 1
315 3 13 1 "RMS(OBS, PRED)" CB 66 1.169 1
316 3 13 1 "RMS(OBS, PRED)" H 0 0.000 1
317 3 13 1 "RMS(OBS, PRED)" HA 69 0.381 1
318 3 13 1 "RMS(OBS, PRED)" N 0 0.000 1
319 3 14 1 "RMS(OBS, PRED)" C 0 0.000 1
320 3 14 1 "RMS(OBS, PRED)" CA 68 1.519 1
321 3 14 1 "RMS(OBS, PRED)" CB 66 1.429 1
322 3 14 1 "RMS(OBS, PRED)" H 0 0.000 1
323 3 14 1 "RMS(OBS, PRED)" HA 69 0.407 1
324 3 14 1 "RMS(OBS, PRED)" N 0 0.000 1
325 3 15 1 "RMS(OBS, PRED)" C 0 0.000 1
326 3 15 1 "RMS(OBS, PRED)" CA 68 1.475 1
327 3 15 1 "RMS(OBS, PRED)" CB 66 1.312 1
328 3 15 1 "RMS(OBS, PRED)" H 0 0.000 1
329 3 15 1 "RMS(OBS, PRED)" HA 69 0.386 1
330 3 15 1 "RMS(OBS, PRED)" N 0 0.000 1
331 3 16 1 "RMS(OBS, PRED)" C 0 0.000 1
332 3 16 1 "RMS(OBS, PRED)" CA 68 1.469 1
333 3 16 1 "RMS(OBS, PRED)" CB 66 1.287 1
334 3 16 1 "RMS(OBS, PRED)" H 0 0.000 1
335 3 16 1 "RMS(OBS, PRED)" HA 69 0.370 1
336 3 16 1 "RMS(OBS, PRED)" N 0 0.000 1
337 3 17 1 "RMS(OBS, PRED)" C 0 0.000 1
338 3 17 1 "RMS(OBS, PRED)" CA 68 1.506 1
339 3 17 1 "RMS(OBS, PRED)" CB 66 1.330 1
340 3 17 1 "RMS(OBS, PRED)" H 0 0.000 1
341 3 17 1 "RMS(OBS, PRED)" HA 69 0.406 1
342 3 17 1 "RMS(OBS, PRED)" N 0 0.000 1
343 3 18 1 "RMS(OBS, PRED)" C 0 0.000 1
344 3 18 1 "RMS(OBS, PRED)" CA 68 1.515 1
345 3 18 1 "RMS(OBS, PRED)" CB 66 1.262 1
346 3 18 1 "RMS(OBS, PRED)" H 0 0.000 1
347 3 18 1 "RMS(OBS, PRED)" HA 69 0.390 1
348 3 18 1 "RMS(OBS, PRED)" N 0 0.000 1
349 3 19 1 "RMS(OBS, PRED)" C 0 0.000 1
350 3 19 1 "RMS(OBS, PRED)" CA 68 1.509 1
351 3 19 1 "RMS(OBS, PRED)" CB 66 1.311 1
352 3 19 1 "RMS(OBS, PRED)" H 0 0.000 1
353 3 19 1 "RMS(OBS, PRED)" HA 69 0.378 1
354 3 19 1 "RMS(OBS, PRED)" N 0 0.000 1
355 3 20 1 "RMS(OBS, PRED)" C 0 0.000 1
356 3 20 1 "RMS(OBS, PRED)" CA 68 1.430 1
357 3 20 1 "RMS(OBS, PRED)" CB 66 1.326 1
358 3 20 1 "RMS(OBS, PRED)" H 0 0.000 1
359 3 20 1 "RMS(OBS, PRED)" HA 69 0.390 1
360 3 20 1 "RMS(OBS, PRED)" N 0 0.000 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 SER HA H 2 4.600 4.683 -0.083 2
1 4 . 1 1 A 3 3 THR H H 3 8.340 8.297 0.043 2
1 5 . 1 1 A 3 3 THR HA H 3 4.380 4.319 0.061 2
1 10 . 1 1 A 4 4 MET H H 4 8.430 8.654 -0.224 2
1 11 . 1 1 A 4 4 MET HA H 4 4.460 4.627 -0.167 2
1 16 . 1 1 A 5 5 ALA H H 5 8.340 8.373 -0.033 2
1 17 . 1 1 A 5 5 ALA HA H 5 4.300 4.279 0.021 2
1 21 . 1 1 A 6 6 GLU H H 6 8.220 8.452 -0.232 2
1 22 . 1 1 A 6 6 GLU HA H 6 4.300 4.368 -0.068 2
1 27 . 1 1 A 7 7 GLU H H 7 8.470 8.630 -0.160 2
1 28 . 1 1 A 7 7 GLU HA H 7 4.440 4.861 -0.421 2
1 33 . 1 1 A 8 8 VAL H H 8 8.500 8.519 -0.019 2
1 34 . 1 1 A 8 8 VAL HA H 8 4.210 4.831 -0.621 2
1 42 . 1 1 A 9 9 VAL H H 9 8.360 8.929 -0.569 2
1 43 . 1 1 A 9 9 VAL HA H 9 4.430 4.994 -0.564 2
1 51 . 1 1 A 10 10 VAL H H 10 8.890 8.906 -0.016 2
1 52 . 1 1 A 10 10 VAL HA H 10 4.980 5.335 -0.355 2
1 60 . 1 1 A 11 11 VAL H H 11 8.540 9.067 -0.527 2
1 61 . 1 1 A 11 11 VAL HA H 11 5.000 4.838 0.162 2
1 69 . 1 1 A 12 12 ALA H H 12 8.760 8.804 -0.044 2
1 70 . 1 1 A 12 12 ALA HA H 12 4.580 4.743 -0.163 2
1 74 . 1 1 A 13 13 LYS H H 13 9.370 8.960 0.410 2
1 75 . 1 1 A 13 13 LYS HA H 13 3.850 4.239 -0.390 2
1 84 . 1 1 A 14 14 PHE H H 14 7.140 7.717 -0.577 2
1 85 . 1 1 A 14 14 PHE HA H 14 4.810 5.102 -0.292 2
1 93 . 1 1 A 15 15 ASP H H 15 8.360 9.048 -0.688 2
1 94 . 1 1 A 15 15 ASP HA H 15 4.790 5.654 -0.864 2
1 97 . 1 1 A 16 16 TYR H H 16 8.850 8.919 -0.069 2
1 98 . 1 1 A 16 16 TYR HA H 16 4.750 5.221 -0.470 2
1 105 . 1 1 A 17 17 VAL H H 17 7.190 8.332 -1.142 2
1 106 . 1 1 A 17 17 VAL HA H 17 4.150 4.231 -0.081 2
1 114 . 1 1 A 18 18 ALA H H 18 8.640 8.236 0.404 2
1 115 . 1 1 A 18 18 ALA HA H 18 4.230 4.576 -0.346 2
1 119 . 1 1 A 19 19 GLN H H 19 9.090 8.289 0.801 2
1 120 . 1 1 A 19 19 GLN HA H 19 4.310 3.942 0.368 2
1 127 . 1 1 A 20 20 GLN H H 20 7.210 8.008 -0.798 2
1 128 . 1 1 A 20 20 GLN HA H 20 4.590 4.364 0.226 2
1 135 . 1 1 A 21 21 GLU H H 21 8.980 8.907 0.073 2
1 136 . 1 1 A 21 21 GLU HA H 21 4.100 4.077 0.023 2
1 141 . 1 1 A 22 22 GLN H H 22 8.460 7.971 0.489 2
1 142 . 1 1 A 22 22 GLN HA H 22 4.550 4.090 0.460 2
1 149 . 1 1 A 23 23 GLU H H 23 7.730 7.880 -0.150 2
1 150 . 1 1 A 23 23 GLU HA H 23 5.330 4.599 0.731 2
1 155 . 1 1 A 24 24 LEU H H 24 7.910 8.670 -0.760 2
1 156 . 1 1 A 24 24 LEU HA H 24 4.680 5.190 -0.510 2
1 166 . 1 1 A 25 25 ASP H H 25 7.640 8.847 -1.207 2
1 167 . 1 1 A 25 25 ASP HA H 25 5.150 5.029 0.121 2
1 170 . 1 1 A 26 26 ILE H H 26 8.930 8.753 0.177 2
1 171 . 1 1 A 26 26 ILE HA H 26 5.120 5.264 -0.144 2
1 181 . 1 1 A 27 27 LYS H H 27 8.940 8.736 0.204 2
1 182 . 1 1 A 27 27 LYS HA H 27 5.090 4.817 0.273 2
1 191 . 1 1 A 28 28 LYS H H 28 8.990 8.606 0.384 2
1 192 . 1 1 A 28 28 LYS HA H 28 3.110 3.969 -0.859 2
1 201 . 1 1 A 29 29 ASN H H 29 8.690 8.966 -0.276 2
1 202 . 1 1 A 29 29 ASN HA H 29 4.170 4.228 -0.058 2
1 207 . 1 1 A 30 30 GLU H H 30 8.650 7.576 1.074 2
1 208 . 1 1 A 30 30 GLU HA H 30 4.170 4.818 -0.648 2
1 213 . 1 1 A 31 31 ARG H H 31 8.500 8.684 -0.184 2
1 214 . 1 1 A 31 31 ARG HA H 31 4.580 4.535 0.045 2
1 222 . 1 1 A 32 32 LEU H H 32 8.860 9.111 -0.251 2
1 223 . 1 1 A 32 32 LEU HA H 32 4.840 4.614 0.227 2
1 233 . 1 1 A 33 33 TRP H H 33 9.160 8.683 0.477 2
1 234 . 1 1 A 33 33 TRP HA H 33 5.100 5.260 -0.160 2
1 243 . 1 1 A 34 34 LEU H H 34 9.130 8.671 0.459 2
1 244 . 1 1 A 34 34 LEU HA H 34 4.330 4.434 -0.104 2
1 254 . 1 1 A 35 35 LEU H H 35 9.020 9.023 -0.003 2
1 255 . 1 1 A 35 35 LEU HA H 35 4.610 4.402 0.208 2
1 265 . 1 1 A 36 36 ASP H H 36 7.460 7.699 -0.239 2
1 266 . 1 1 A 36 36 ASP HA H 36 4.760 4.935 -0.175 2
1 269 . 1 1 A 37 37 ASP H H 37 8.330 8.427 -0.097 2
1 270 . 1 1 A 37 37 ASP HA H 37 3.940 4.588 -0.648 2
1 273 . 1 1 A 38 38 SER H H 38 8.460 8.200 0.261 2
1 274 . 1 1 A 38 38 SER HA H 38 4.210 4.585 -0.375 2
1 277 . 1 1 A 39 39 LYS H H 39 8.450 7.649 0.801 2
1 278 . 1 1 A 39 39 LYS HA H 39 4.900 4.460 0.440 2
1 287 . 1 1 A 40 40 SER H H 40 8.350 8.872 -0.522 2
1 288 . 1 1 A 40 40 SER HA H 40 4.310 4.196 0.114 2
1 291 . 1 1 A 41 41 TRP H H 41 7.440 8.177 -0.737 2
1 292 . 1 1 A 41 41 TRP HA H 41 4.850 4.896 -0.047 2
1 301 . 1 1 A 42 42 TRP H H 42 9.360 9.086 0.274 2
1 302 . 1 1 A 42 42 TRP HA H 42 5.440 5.117 0.323 2
1 311 . 1 1 A 43 43 ARG H H 43 8.810 9.205 -0.395 2
1 312 . 1 1 A 43 43 ARG HA H 43 4.540 4.560 -0.020 2
1 320 . 1 1 A 44 44 VAL H H 44 9.210 8.702 0.508 2
1 321 . 1 1 A 44 44 VAL HA H 44 5.510 5.189 0.321 2
1 329 . 1 1 A 45 45 ARG H H 45 9.260 9.191 0.069 2
1 330 . 1 1 A 45 45 ARG HA H 45 5.510 5.323 0.187 2
1 338 . 1 1 A 46 46 ASN H H 46 8.820 9.069 -0.249 2
1 339 . 1 1 A 46 46 ASN HA H 46 5.470 5.380 0.090 2
1 344 . 1 1 A 47 47 SER H H 47 9.730 9.059 0.671 2
1 345 . 1 1 A 47 47 SER HA H 47 4.320 4.456 -0.136 2
1 348 . 1 1 A 48 48 MET H H 48 7.650 7.948 -0.298 2
1 349 . 1 1 A 48 48 MET HA H 48 4.720 4.583 0.137 2
1 357 . 1 1 A 49 49 ASN H H 49 8.430 8.259 0.171 2
1 358 . 1 1 A 49 49 ASN HA H 49 4.200 4.470 -0.270 2
1 363 . 1 1 A 50 50 LYS H H 50 8.090 7.831 0.259 2
1 364 . 1 1 A 50 50 LYS HA H 50 4.560 4.329 0.231 2
1 373 . 1 1 A 51 51 THR H H 51 8.310 8.676 -0.366 2
1 374 . 1 1 A 51 51 THR HA H 51 5.730 5.248 0.482 2
1 379 . 1 1 A 52 52 GLY H H 52 8.630 8.207 0.423 2
1 380 . 1 1 A 52 52 GLY HA2 H 52 4.090 4.258 -0.169 2
1 381 . 1 1 A 52 52 GLY HA3 H 52 3.920 4.315 -0.395 2
1 382 . 1 1 A 53 53 PHE H H 53 9.020 8.745 0.275 2
1 383 . 1 1 A 53 53 PHE HA H 53 5.860 5.169 0.691 2
1 391 . 1 1 A 54 54 VAL H H 54 9.150 9.062 0.088 2
1 399 . 1 1 A 55 55 PRO HA H 55 3.230 4.342 -1.112 2
1 406 . 1 1 A 56 56 SER H H 56 7.790 8.185 -0.395 2
1 407 . 1 1 A 57 57 ASN HA H 57 4.480 4.556 -0.076 2
1 412 . 1 1 A 58 58 TYR H H 58 7.950 7.919 0.031 2
1 413 . 1 1 A 58 58 TYR HA H 58 4.460 4.698 -0.238 2
1 420 . 1 1 A 59 59 VAL H H 59 7.300 7.448 -0.148 2
1 421 . 1 1 A 59 59 VAL HA H 59 5.080 4.980 0.100 2
1 429 . 1 1 A 60 60 GLU H H 60 8.670 8.605 0.065 2
1 430 . 1 1 A 60 60 GLU HA H 60 4.780 4.777 0.003 2
1 435 . 1 1 A 61 61 ARG H H 61 9.080 8.675 0.405 2
1 436 . 1 1 A 61 61 ARG HA H 61 4.540 4.519 0.021 2
1 444 . 1 1 A 62 62 LYS H H 62 8.540 8.811 -0.271 2
1 445 . 1 1 A 62 62 LYS HA H 62 4.370 4.189 0.181 2
1 454 . 1 1 A 63 63 ASN H H 63 8.660 8.584 0.076 2
1 455 . 1 1 A 63 63 ASN HA H 63 4.760 4.860 -0.100 2
1 460 . 1 1 A 64 64 SER H H 64 8.380 7.884 0.496 2
1 461 . 1 1 A 64 64 SER HA H 64 4.420 4.427 -0.007 2
1 464 . 1 1 A 65 65 ALA H H 65 8.380 8.243 0.137 2
1 465 . 1 1 A 65 65 ALA HA H 65 4.310 4.531 -0.221 2
1 469 . 1 1 A 66 66 ARG H H 66 8.240 8.369 -0.129 2
1 470 . 1 1 A 66 66 ARG HA H 66 4.290 4.338 -0.048 2
1 477 . 1 1 A 67 67 ALA H H 67 8.290 8.695 -0.405 2
1 478 . 1 1 A 67 67 ALA HA H 67 4.290 4.069 0.221 2
1 482 . 1 1 A 68 68 ALA H H 68 8.270 7.944 0.326 2
1 483 . 1 1 A 68 68 ALA HA H 68 4.290 4.248 0.042 2
1 487 . 1 1 A 69 69 ALA H H 69 8.240 7.573 0.667 2
1 488 . 1 1 A 69 69 ALA HA H 69 4.320 4.233 0.087 2
1 492 . 1 1 A 70 70 ASN H H 70 8.390 8.613 -0.223 2
1 493 . 1 1 A 70 70 ASN HA H 70 4.750 4.944 -0.194 2
1 496 . 1 1 A 71 71 SER H H 71 8.250 8.554 -0.304 2
1 497 . 1 1 A 71 71 SER HA H 71 4.520 4.528 -0.008 2
2 5 . 1 1 A 2 2 SER H H 2 8.720 8.571 0.149 2
2 6 . 1 1 A 2 2 SER HA H 2 4.600 4.683 -0.083 2
2 9 . 1 1 A 2 2 SER C C 2 174.800 173.793 1.007 2
2 10 . 1 1 A 2 2 SER CA C 2 58.300 58.278 0.022 2
2 11 . 1 1 A 2 2 SER CB C 2 64.000 63.815 0.185 2
2 12 . 1 1 A 2 2 SER N N 2 115.900 116.997 -1.097 2
2 13 . 1 1 A 3 3 THR H H 3 8.340 8.297 0.043 2
2 14 . 1 1 A 3 3 THR HA H 3 4.390 4.319 0.071 2
2 16 . 1 1 A 3 3 THR C C 3 174.600 174.524 0.076 2
2 17 . 1 1 A 3 3 THR CA C 3 62.000 63.509 -1.509 2
2 18 . 1 1 A 3 3 THR CB C 3 69.800 69.109 0.691 2
2 19 . 1 1 A 3 3 THR N N 3 116.100 118.096 -1.996 2
2 20 . 1 1 A 4 4 MET H H 4 8.430 8.654 -0.224 2
2 21 . 1 1 A 4 4 MET HA H 4 4.460 4.627 -0.167 2
2 24 . 1 1 A 4 4 MET C C 4 175.800 175.855 -0.054 2
2 25 . 1 1 A 4 4 MET CA C 4 55.600 55.994 -0.394 2
2 26 . 1 1 A 4 4 MET CB C 4 33.000 34.480 -1.480 2
2 27 . 1 1 A 4 4 MET N N 4 122.900 123.834 -0.934 2
2 28 . 1 1 A 5 5 ALA H H 5 8.330 8.373 -0.043 2
2 29 . 1 1 A 5 5 ALA HA H 5 4.310 4.279 0.031 2
2 33 . 1 1 A 5 5 ALA C C 5 177.500 177.280 0.220 2
2 34 . 1 1 A 5 5 ALA CA C 5 52.600 52.787 -0.187 2
2 35 . 1 1 A 5 5 ALA CB C 5 19.200 19.235 -0.035 2
2 36 . 1 1 A 5 5 ALA N N 5 125.600 123.989 1.611 2
2 37 . 1 1 A 6 6 GLU H H 6 8.220 8.452 -0.232 2
2 38 . 1 1 A 6 6 GLU HA H 6 4.310 4.368 -0.058 2
2 41 . 1 1 A 6 6 GLU C C 6 176.200 175.141 1.059 2
2 42 . 1 1 A 6 6 GLU CA C 6 56.100 56.540 -0.440 2
2 43 . 1 1 A 6 6 GLU CB C 6 30.600 29.785 0.815 2
2 44 . 1 1 A 6 6 GLU N N 6 119.900 120.320 -0.420 2
2 45 . 1 1 A 7 7 GLU H H 7 8.450 8.630 -0.180 2
2 46 . 1 1 A 7 7 GLU HA H 7 4.440 4.861 -0.421 2
2 49 . 1 1 A 7 7 GLU C C 7 176.000 175.076 0.924 2
2 50 . 1 1 A 7 7 GLU CA C 7 56.500 55.357 1.143 2
2 51 . 1 1 A 7 7 GLU CB C 7 30.700 32.554 -1.854 2
2 52 . 1 1 A 7 7 GLU N N 7 122.400 124.716 -2.316 2
2 53 . 1 1 A 8 8 VAL H H 8 8.490 8.519 -0.029 2
2 54 . 1 1 A 8 8 VAL HA H 8 4.210 4.831 -0.621 2
2 56 . 1 1 A 8 8 VAL C C 8 175.900 175.168 0.732 2
2 57 . 1 1 A 8 8 VAL CA C 8 62.200 60.991 1.209 2
2 58 . 1 1 A 8 8 VAL CB C 8 33.300 35.079 -1.779 2
2 59 . 1 1 A 8 8 VAL N N 8 123.400 122.923 0.477 2
2 60 . 1 1 A 9 9 VAL H H 9 8.360 8.929 -0.569 2
2 61 . 1 1 A 9 9 VAL HA H 9 4.430 4.994 -0.564 2
2 63 . 1 1 A 9 9 VAL C C 9 176.300 174.706 1.594 2
2 64 . 1 1 A 9 9 VAL CA C 9 61.700 59.347 2.353 2
2 65 . 1 1 A 9 9 VAL CB C 9 33.000 34.747 -1.747 2
2 66 . 1 1 A 9 9 VAL N N 9 126.800 121.815 4.985 2
2 67 . 1 1 A 10 10 VAL H H 10 8.900 8.906 -0.006 2
2 68 . 1 1 A 10 10 VAL HA H 10 4.980 5.335 -0.355 2
2 70 . 1 1 A 10 10 VAL C C 10 173.400 173.687 -0.287 2
2 71 . 1 1 A 10 10 VAL CA C 10 58.300 59.280 -0.980 2
2 72 . 1 1 A 10 10 VAL CB C 10 35.100 35.397 -0.297 2
2 73 . 1 1 A 10 10 VAL N N 10 119.700 120.925 -1.225 2
2 74 . 1 1 A 11 11 VAL H H 11 8.550 9.067 -0.517 2
2 75 . 1 1 A 11 11 VAL HA H 11 5.000 4.838 0.162 2
2 77 . 1 1 A 11 11 VAL C C 11 176.700 174.715 1.985 2
2 78 . 1 1 A 11 11 VAL CA C 11 59.600 59.707 -0.107 2
2 79 . 1 1 A 11 11 VAL CB C 11 35.100 34.213 0.887 2
2 80 . 1 1 A 11 11 VAL N N 11 118.700 123.739 -5.039 2
2 81 . 1 1 A 12 12 ALA H H 12 8.770 8.804 -0.034 2
2 82 . 1 1 A 12 12 ALA HA H 12 4.580 4.743 -0.163 2
2 86 . 1 1 A 12 12 ALA C C 12 178.600 178.075 0.525 2
2 87 . 1 1 A 12 12 ALA CA C 12 52.800 51.996 0.804 2
2 88 . 1 1 A 12 12 ALA CB C 12 19.900 19.474 0.426 2
2 89 . 1 1 A 12 12 ALA N N 12 128.500 130.070 -1.570 2
2 90 . 1 1 A 13 13 LYS H H 13 9.370 8.960 0.410 2
2 91 . 1 1 A 13 13 LYS HA H 13 3.850 4.239 -0.390 2
2 94 . 1 1 A 13 13 LYS C C 13 174.700 175.880 -1.180 2
2 95 . 1 1 A 13 13 LYS CA C 13 57.300 56.699 0.601 2
2 96 . 1 1 A 13 13 LYS CB C 13 33.800 33.294 0.505 2
2 97 . 1 1 A 13 13 LYS N N 13 126.700 120.405 6.295 2
2 98 . 1 1 A 14 14 PHE H H 14 7.140 7.717 -0.577 2
2 99 . 1 1 A 14 14 PHE HA H 14 4.800 5.102 -0.302 2
2 102 . 1 1 A 14 14 PHE C C 14 173.600 174.486 -0.886 2
2 103 . 1 1 A 14 14 PHE CA C 14 53.700 56.689 -2.989 2
2 104 . 1 1 A 14 14 PHE CB C 14 43.700 43.605 0.095 2
2 105 . 1 1 A 14 14 PHE N N 14 111.600 117.378 -5.778 2
2 106 . 1 1 A 15 15 ASP H H 15 8.360 9.048 -0.688 2
2 107 . 1 1 A 15 15 ASP HA H 15 4.790 5.654 -0.864 2
2 110 . 1 1 A 15 15 ASP C C 15 176.400 174.435 1.965 2
2 111 . 1 1 A 15 15 ASP CA C 15 54.700 52.932 1.768 2
2 112 . 1 1 A 15 15 ASP CB C 15 41.600 43.265 -1.665 2
2 113 . 1 1 A 15 15 ASP N N 15 117.400 119.334 -1.934 2
2 114 . 1 1 A 16 16 TYR H H 16 8.860 8.919 -0.059 2
2 115 . 1 1 A 16 16 TYR HA H 16 4.750 5.221 -0.470 2
2 118 . 1 1 A 16 16 TYR C C 16 173.700 173.584 0.116 2
2 119 . 1 1 A 16 16 TYR CA C 16 59.500 56.945 2.555 2
2 120 . 1 1 A 16 16 TYR CB C 16 41.500 42.196 -0.696 2
2 121 . 1 1 A 16 16 TYR N N 16 121.000 123.321 -2.321 2
2 122 . 1 1 A 17 17 VAL H H 17 7.180 8.332 -1.152 2
2 123 . 1 1 A 17 17 VAL HA H 17 4.150 4.231 -0.081 2
2 125 . 1 1 A 17 17 VAL C C 17 174.500 175.215 -0.715 2
2 126 . 1 1 A 17 17 VAL CA C 17 60.600 60.777 -0.177 2
2 127 . 1 1 A 17 17 VAL CB C 17 32.300 32.955 -0.655 2
2 128 . 1 1 A 17 17 VAL N N 17 129.100 123.838 5.262 2
2 129 . 1 1 A 18 18 ALA H H 18 8.640 8.236 0.404 2
2 130 . 1 1 A 18 18 ALA HA H 18 4.230 4.576 -0.346 2
2 134 . 1 1 A 18 18 ALA C C 18 179.100 177.727 1.373 2
2 135 . 1 1 A 18 18 ALA CA C 18 53.300 51.898 1.402 2
2 136 . 1 1 A 18 18 ALA CB C 18 19.900 18.696 1.204 2
2 137 . 1 1 A 18 18 ALA N N 18 128.900 131.325 -2.425 2
2 138 . 1 1 A 19 19 GLN H H 19 9.080 8.289 0.791 2
2 139 . 1 1 A 19 19 GLN HA H 19 4.320 3.942 0.378 2
2 144 . 1 1 A 19 19 GLN C C 19 175.500 177.073 -1.573 2
2 145 . 1 1 A 19 19 GLN CA C 19 55.100 59.812 -4.712 2
2 146 . 1 1 A 19 19 GLN CB C 19 31.200 28.853 2.347 2
2 148 . 1 1 A 19 19 GLN N N 19 120.400 124.799 -4.399 2
2 150 . 1 1 A 20 20 GLN H H 20 7.220 8.008 -0.788 2
2 151 . 1 1 A 20 20 GLN HA H 20 4.590 4.364 0.226 2
2 156 . 1 1 A 20 20 GLN C C 20 176.800 176.989 -0.189 2
2 157 . 1 1 A 20 20 GLN CA C 20 53.900 55.455 -1.555 2
2 158 . 1 1 A 20 20 GLN CB C 20 32.400 29.809 2.591 2
2 159 . 1 1 A 20 20 GLN N N 20 114.500 117.728 -3.228 2
2 161 . 1 1 A 21 21 GLU H H 21 8.980 8.907 0.073 2
2 162 . 1 1 A 21 21 GLU HA H 21 4.090 4.077 0.013 2
2 164 . 1 1 A 21 21 GLU C C 21 176.900 178.778 -1.878 2
2 165 . 1 1 A 21 21 GLU CA C 21 59.500 58.736 0.764 2
2 166 . 1 1 A 21 21 GLU CB C 21 29.700 29.143 0.557 2
2 167 . 1 1 A 21 21 GLU N N 21 121.600 123.331 -1.731 2
2 168 . 1 1 A 22 22 GLN H H 22 8.470 7.971 0.499 2
2 169 . 1 1 A 22 22 GLN HA H 22 4.540 4.090 0.450 2
2 174 . 1 1 A 22 22 GLN C C 22 176.700 176.562 0.138 2
2 175 . 1 1 A 22 22 GLN CA C 22 56.700 58.723 -2.023 2
2 176 . 1 1 A 22 22 GLN CB C 22 28.000 28.679 -0.679 2
2 178 . 1 1 A 22 22 GLN N N 22 113.600 119.587 -5.987 2
2 180 . 1 1 A 23 23 GLU H H 23 7.730 7.880 -0.150 2
2 181 . 1 1 A 23 23 GLU HA H 23 5.340 4.599 0.741 2
2 184 . 1 1 A 23 23 GLU C C 23 174.700 175.804 -1.104 2
2 185 . 1 1 A 23 23 GLU CA C 23 55.600 56.906 -1.306 2
2 186 . 1 1 A 23 23 GLU CB C 23 32.400 30.850 1.550 2
2 187 . 1 1 A 23 23 GLU N N 23 120.200 118.984 1.216 2
2 188 . 1 1 A 24 24 LEU H H 24 7.900 8.670 -0.770 2
2 189 . 1 1 A 24 24 LEU HA H 24 4.680 5.190 -0.510 2
2 192 . 1 1 A 24 24 LEU C C 24 174.300 176.135 -1.835 2
2 193 . 1 1 A 24 24 LEU CA C 24 53.200 53.599 -0.399 2
2 194 . 1 1 A 24 24 LEU CB C 24 46.500 45.238 1.262 2
2 195 . 1 1 A 24 24 LEU N N 24 122.400 122.893 -0.493 2
2 196 . 1 1 A 25 25 ASP H H 25 7.640 8.847 -1.207 2
2 197 . 1 1 A 25 25 ASP HA H 25 5.160 5.029 0.131 2
2 200 . 1 1 A 25 25 ASP C C 25 176.800 176.460 0.340 2
2 201 . 1 1 A 25 25 ASP CA C 25 54.200 53.808 0.392 2
2 202 . 1 1 A 25 25 ASP CB C 25 42.300 41.546 0.754 2
2 203 . 1 1 A 25 25 ASP N N 25 121.400 123.406 -2.006 2
2 204 . 1 1 A 26 26 ILE H H 26 8.930 8.753 0.177 2
2 205 . 1 1 A 26 26 ILE HA H 26 5.120 5.264 -0.144 2
2 207 . 1 1 A 26 26 ILE C C 26 175.200 174.184 1.016 2
2 208 . 1 1 A 26 26 ILE CA C 26 59.700 58.869 0.831 2
2 209 . 1 1 A 26 26 ILE CB C 26 42.400 42.156 0.244 2
2 210 . 1 1 A 26 26 ILE N N 26 115.600 119.116 -3.516 2
2 211 . 1 1 A 27 27 LYS H H 27 8.930 8.736 0.194 2
2 212 . 1 1 A 27 27 LYS HA H 27 5.090 4.817 0.273 2
2 215 . 1 1 A 27 27 LYS C C 27 175.300 174.651 0.649 2
2 216 . 1 1 A 27 27 LYS CA C 27 52.900 55.125 -2.225 2
2 217 . 1 1 A 27 27 LYS CB C 27 35.400 36.570 -1.170 2
2 218 . 1 1 A 27 27 LYS N N 27 123.000 121.695 1.305 2
2 219 . 1 1 A 28 28 LYS H H 28 8.990 8.606 0.384 2
2 220 . 1 1 A 28 28 LYS HA H 28 3.110 3.969 -0.859 2
2 222 . 1 1 A 28 28 LYS C C 28 177.000 177.291 -0.291 2
2 223 . 1 1 A 28 28 LYS CA C 28 59.200 58.250 0.950 2
2 224 . 1 1 A 28 28 LYS CB C 28 32.600 32.168 0.432 2
2 225 . 1 1 A 28 28 LYS N N 28 121.200 126.548 -5.348 2
2 226 . 1 1 A 29 29 ASN H H 29 8.700 8.966 -0.266 2
2 227 . 1 1 A 29 29 ASN HA H 29 4.180 4.228 -0.048 2
2 232 . 1 1 A 29 29 ASN C C 29 174.200 174.153 0.047 2
2 233 . 1 1 A 29 29 ASN CA C 29 55.900 54.446 1.454 2
2 234 . 1 1 A 29 29 ASN CB C 29 37.400 37.192 0.208 2
2 235 . 1 1 A 29 29 ASN N N 29 118.300 120.583 -2.283 2
2 237 . 1 1 A 30 30 GLU H H 30 8.660 7.576 1.084 2
2 238 . 1 1 A 30 30 GLU HA H 30 4.160 4.818 -0.658 2
2 241 . 1 1 A 30 30 GLU C C 30 175.200 175.154 0.046 2
2 242 . 1 1 A 30 30 GLU CA C 30 57.700 55.053 2.647 2
2 243 . 1 1 A 30 30 GLU CB C 30 31.800 32.177 -0.377 2
2 244 . 1 1 A 30 30 GLU N N 30 124.200 117.765 6.435 2
2 245 . 1 1 A 31 31 ARG H H 31 8.490 8.684 -0.194 2
2 246 . 1 1 A 31 31 ARG HA H 31 4.580 4.535 0.045 2
2 250 . 1 1 A 31 31 ARG C C 31 175.000 175.351 -0.351 2
2 251 . 1 1 A 31 31 ARG CA C 31 56.200 56.053 0.147 2
2 252 . 1 1 A 31 31 ARG CB C 31 30.800 30.758 0.042 2
2 253 . 1 1 A 31 31 ARG N N 31 125.000 126.818 -1.818 2
2 255 . 1 1 A 32 32 LEU H H 32 8.860 9.111 -0.251 2
2 256 . 1 1 A 32 32 LEU HA H 32 4.840 4.614 0.227 2
2 259 . 1 1 A 32 32 LEU C C 32 174.400 175.452 -1.052 2
2 260 . 1 1 A 32 32 LEU CA C 32 53.300 53.085 0.215 2
2 261 . 1 1 A 32 32 LEU CB C 32 46.300 45.297 1.003 2
2 262 . 1 1 A 32 32 LEU N N 32 125.600 124.589 1.011 2
2 263 . 1 1 A 33 33 TRP H H 33 9.160 8.683 0.477 2
2 264 . 1 1 A 33 33 TRP HA H 33 5.100 5.260 -0.160 2
2 268 . 1 1 A 33 33 TRP C C 33 176.000 175.772 0.228 2
2 269 . 1 1 A 33 33 TRP CA C 33 58.300 56.145 2.155 2
2 270 . 1 1 A 33 33 TRP CB C 33 31.000 30.670 0.330 2
2 271 . 1 1 A 33 33 TRP N N 33 121.000 122.049 -1.049 2
2 273 . 1 1 A 34 34 LEU H H 34 9.130 8.671 0.459 2
2 274 . 1 1 A 34 34 LEU HA H 34 4.330 4.434 -0.104 2
2 277 . 1 1 A 34 34 LEU C C 34 175.400 176.049 -0.649 2
2 278 . 1 1 A 34 34 LEU CA C 34 55.600 55.581 0.019 2
2 279 . 1 1 A 34 34 LEU CB C 34 43.700 42.541 1.159 2
2 280 . 1 1 A 34 34 LEU N N 34 125.100 126.859 -1.759 2
2 281 . 1 1 A 35 35 LEU H H 35 9.020 9.023 -0.003 2
2 282 . 1 1 A 35 35 LEU HA H 35 4.620 4.402 0.218 2
2 285 . 1 1 A 35 35 LEU C C 35 177.400 176.439 0.961 2
2 286 . 1 1 A 35 35 LEU CA C 35 55.400 56.003 -0.603 2
2 287 . 1 1 A 35 35 LEU CB C 35 42.600 42.866 -0.266 2
2 288 . 1 1 A 35 35 LEU N N 35 126.300 127.403 -1.103 2
2 289 . 1 1 A 36 36 ASP H H 36 7.460 7.699 -0.239 2
2 290 . 1 1 A 36 36 ASP HA H 36 4.760 4.935 -0.175 2
2 293 . 1 1 A 36 36 ASP C C 36 175.000 174.960 0.040 2
2 294 . 1 1 A 36 36 ASP CA C 36 55.200 53.274 1.926 2
2 295 . 1 1 A 36 36 ASP CB C 36 43.400 42.731 0.669 2
2 296 . 1 1 A 36 36 ASP N N 36 115.400 117.405 -2.005 2
2 297 . 1 1 A 37 37 ASP H H 37 8.330 8.427 -0.097 2
2 298 . 1 1 A 37 37 ASP HA H 37 3.940 4.588 -0.648 2
2 301 . 1 1 A 37 37 ASP C C 37 176.400 176.662 -0.262 2
2 302 . 1 1 A 37 37 ASP CA C 37 52.200 52.427 -0.227 2
2 303 . 1 1 A 37 37 ASP CB C 37 39.900 39.550 0.350 2
2 304 . 1 1 A 37 37 ASP N N 37 128.400 123.653 4.747 2
2 305 . 1 1 A 38 38 SER H H 38 8.470 8.200 0.271 2
2 306 . 1 1 A 38 38 SER HA H 38 4.210 4.585 -0.375 2
2 309 . 1 1 A 38 38 SER C C 38 175.300 174.613 0.687 2
2 310 . 1 1 A 38 38 SER CA C 38 61.600 60.268 1.332 2
2 311 . 1 1 A 38 38 SER CB C 38 64.100 64.388 -0.288 2
2 312 . 1 1 A 38 38 SER N N 38 115.700 114.646 1.054 2
2 313 . 1 1 A 39 39 LYS H H 39 8.440 7.649 0.791 2
2 314 . 1 1 A 39 39 LYS HA H 39 4.910 4.460 0.450 2
2 317 . 1 1 A 39 39 LYS C C 39 175.900 177.851 -1.951 2
2 318 . 1 1 A 39 39 LYS CA C 39 55.000 56.063 -1.063 2
2 319 . 1 1 A 39 39 LYS CB C 39 34.300 33.380 0.920 2
2 320 . 1 1 A 39 39 LYS N N 39 122.300 120.482 1.818 2
2 321 . 1 1 A 40 40 SER H H 40 8.360 8.872 -0.512 2
2 322 . 1 1 A 40 40 SER HA H 40 4.310 4.196 0.114 2
2 325 . 1 1 A 40 40 SER C C 40 175.200 174.803 0.397 2
2 326 . 1 1 A 40 40 SER CA C 40 60.900 62.185 -1.285 2
2 327 . 1 1 A 40 40 SER CB C 40 63.100 63.235 -0.135 2
2 328 . 1 1 A 40 40 SER N N 40 112.600 117.148 -4.549 2
2 329 . 1 1 A 41 41 TRP H H 41 7.440 8.177 -0.737 2
2 330 . 1 1 A 41 41 TRP HA H 41 4.840 4.896 -0.057 2
2 334 . 1 1 A 41 41 TRP C C 41 175.500 176.520 -1.020 2
2 335 . 1 1 A 41 41 TRP CA C 41 56.800 56.687 0.113 2
2 336 . 1 1 A 41 41 TRP CB C 41 29.600 29.896 -0.296 2
2 337 . 1 1 A 41 41 TRP N N 41 121.300 118.800 2.500 2
2 339 . 1 1 A 42 42 TRP H H 42 9.350 9.086 0.264 2
2 340 . 1 1 A 42 42 TRP HA H 42 5.440 5.117 0.323 2
2 344 . 1 1 A 42 42 TRP C C 42 175.000 176.071 -1.071 2
2 345 . 1 1 A 42 42 TRP CA C 42 54.300 57.496 -3.196 2
2 346 . 1 1 A 42 42 TRP CB C 42 30.800 29.456 1.344 2
2 347 . 1 1 A 42 42 TRP N N 42 125.400 125.080 0.320 2
2 349 . 1 1 A 43 43 ARG H H 43 8.810 9.205 -0.395 2
2 350 . 1 1 A 43 43 ARG HA H 43 4.530 4.560 -0.030 2
2 354 . 1 1 A 43 43 ARG C C 43 175.600 176.151 -0.551 2
2 355 . 1 1 A 43 43 ARG CA C 43 55.400 56.066 -0.666 2
2 356 . 1 1 A 43 43 ARG CB C 43 32.200 30.248 1.952 2
2 357 . 1 1 A 43 43 ARG N N 43 124.200 126.275 -2.075 2
2 359 . 1 1 A 44 44 VAL H H 44 9.210 8.702 0.508 2
2 360 . 1 1 A 44 44 VAL HA H 44 5.510 5.189 0.321 2
2 362 . 1 1 A 44 44 VAL C C 44 172.800 173.798 -0.998 2
2 363 . 1 1 A 44 44 VAL CA C 44 58.800 58.753 0.047 2
2 364 . 1 1 A 44 44 VAL CB C 44 36.600 36.068 0.532 2
2 365 . 1 1 A 44 44 VAL N N 44 121.400 119.461 1.939 2
2 366 . 1 1 A 45 45 ARG H H 45 9.260 9.191 0.069 2
2 367 . 1 1 A 45 45 ARG HA H 45 5.510 5.323 0.187 2
2 371 . 1 1 A 45 45 ARG C C 45 175.700 174.163 1.537 2
2 372 . 1 1 A 45 45 ARG CA C 45 53.700 53.903 -0.202 2
2 373 . 1 1 A 45 45 ARG CB C 45 35.400 33.984 1.416 2
2 374 . 1 1 A 45 45 ARG N N 45 120.000 121.753 -1.753 2
2 376 . 1 1 A 46 46 ASN H H 46 8.820 9.069 -0.249 2
2 377 . 1 1 A 46 46 ASN HA H 46 5.470 5.380 0.090 2
2 382 . 1 1 A 46 46 ASN C C 46 178.500 176.867 1.633 2
2 383 . 1 1 A 46 46 ASN CA C 46 50.600 51.456 -0.856 2
2 384 . 1 1 A 46 46 ASN CB C 46 41.000 41.532 -0.532 2
2 385 . 1 1 A 46 46 ASN N N 46 123.300 123.838 -0.538 2
2 387 . 1 1 A 47 47 SER H H 47 9.730 9.059 0.671 2
2 388 . 1 1 A 47 47 SER HA H 47 4.320 4.456 -0.136 2
2 391 . 1 1 A 47 47 SER C C 47 175.200 175.588 -0.388 2
2 392 . 1 1 A 47 47 SER CA C 47 61.500 61.668 -0.168 2
2 393 . 1 1 A 47 47 SER CB C 47 63.100 62.901 0.199 2
2 394 . 1 1 A 47 47 SER N N 47 115.000 119.271 -4.271 2
2 395 . 1 1 A 48 48 MET H H 48 7.650 7.948 -0.298 2
2 396 . 1 1 A 48 48 MET HA H 48 4.730 4.583 0.147 2
2 399 . 1 1 A 48 48 MET C C 48 175.800 176.188 -0.388 2
2 400 . 1 1 A 48 48 MET CA C 48 54.500 55.795 -1.295 2
2 401 . 1 1 A 48 48 MET CB C 48 31.600 33.281 -1.681 2
2 402 . 1 1 A 48 48 MET N N 48 120.300 119.150 1.149 2
2 403 . 1 1 A 49 49 ASN H H 49 8.430 8.259 0.171 2
2 404 . 1 1 A 49 49 ASN HA H 49 4.210 4.470 -0.260 2
2 409 . 1 1 A 49 49 ASN C C 49 174.200 174.256 -0.056 2
2 410 . 1 1 A 49 49 ASN CA C 49 54.900 54.360 0.540 2
2 411 . 1 1 A 49 49 ASN CB C 49 37.100 36.538 0.562 2
2 412 . 1 1 A 49 49 ASN N N 49 113.400 117.023 -3.623 2
2 414 . 1 1 A 50 50 LYS H H 50 8.090 7.831 0.259 2
2 415 . 1 1 A 50 50 LYS HA H 50 4.560 4.329 0.231 2
2 418 . 1 1 A 50 50 LYS C C 50 175.500 175.529 -0.029 2
2 419 . 1 1 A 50 50 LYS CA C 50 55.600 56.529 -0.929 2
2 420 . 1 1 A 50 50 LYS CB C 50 33.300 33.609 -0.309 2
2 421 . 1 1 A 50 50 LYS N N 50 121.000 120.794 0.206 2
2 422 . 1 1 A 51 51 THR H H 51 8.310 8.676 -0.366 2
2 423 . 1 1 A 51 51 THR HA H 51 5.730 5.248 0.482 2
2 425 . 1 1 A 51 51 THR C C 51 174.600 174.010 0.590 2
2 426 . 1 1 A 51 51 THR CA C 51 59.300 60.206 -0.906 2
2 427 . 1 1 A 51 51 THR CB C 51 71.900 72.139 -0.239 2
2 428 . 1 1 A 51 51 THR N N 51 113.800 116.468 -2.668 2
2 429 . 1 1 A 52 52 GLY H H 52 8.630 8.207 0.423 2
2 430 . 1 1 A 52 52 GLY HA2 H 52 4.090 4.258 -0.169 2
2 431 . 1 1 A 52 52 GLY HA3 H 52 3.920 4.315 -0.395 2
2 432 . 1 1 A 52 52 GLY C C 52 170.500 171.636 -1.136 2
2 433 . 1 1 A 52 52 GLY CA C 52 45.600 45.202 0.399 2
2 434 . 1 1 A 52 52 GLY N N 52 107.900 111.648 -3.748 2
2 435 . 1 1 A 53 53 PHE H H 53 9.030 8.745 0.285 2
2 436 . 1 1 A 53 53 PHE HA H 53 5.850 5.169 0.681 2
2 439 . 1 1 A 53 53 PHE C C 53 176.400 175.922 0.478 2
2 440 . 1 1 A 53 53 PHE CA C 53 58.000 58.025 -0.025 2
2 441 . 1 1 A 53 53 PHE CB C 53 42.800 40.744 2.056 2
2 442 . 1 1 A 53 53 PHE N N 53 118.200 119.457 -1.257 2
2 443 . 1 1 A 54 54 VAL H H 54 9.150 9.062 0.088 2
2 444 . 1 1 A 54 54 VAL HA H 54 4.790 5.129 -0.339 2
2 445 . 1 1 A 54 54 VAL CA C 54 57.600 58.380 -0.780 2
2 446 . 1 1 A 54 54 VAL CB C 54 33.300 34.798 -1.498 2
2 447 . 1 1 A 54 54 VAL N N 54 112.100 117.540 -5.440 2
2 448 . 1 1 A 57 57 ASN HA H 57 4.480 4.556 -0.076 2
2 453 . 1 1 A 57 57 ASN C C 57 175.500 176.083 -0.583 2
2 454 . 1 1 A 57 57 ASN CA C 57 53.900 54.599 -0.699 2
2 455 . 1 1 A 57 57 ASN CB C 57 36.600 38.820 -2.220 2
2 457 . 1 1 A 58 58 TYR H H 58 7.950 7.919 0.031 2
2 458 . 1 1 A 58 58 TYR HA H 58 4.460 4.698 -0.238 2
2 461 . 1 1 A 58 58 TYR C C 58 175.200 175.735 -0.535 2
2 462 . 1 1 A 58 58 TYR CA C 58 59.100 58.804 0.296 2
2 463 . 1 1 A 58 58 TYR CB C 58 38.100 40.055 -1.955 2
2 464 . 1 1 A 58 58 TYR N N 58 118.400 116.320 2.080 2
2 465 . 1 1 A 59 59 VAL H H 59 7.300 7.448 -0.148 2
2 466 . 1 1 A 59 59 VAL HA H 59 5.080 4.980 0.100 2
2 468 . 1 1 A 59 59 VAL C C 59 173.100 174.399 -1.299 2
2 469 . 1 1 A 59 59 VAL CA C 59 58.700 59.587 -0.887 2
2 470 . 1 1 A 59 59 VAL CB C 59 35.500 34.990 0.510 2
2 471 . 1 1 A 59 59 VAL N N 59 111.800 114.879 -3.079 2
2 472 . 1 1 A 60 60 GLU H H 60 8.680 8.605 0.075 2
2 473 . 1 1 A 60 60 GLU HA H 60 4.790 4.777 0.013 2
2 476 . 1 1 A 60 60 GLU C C 60 175.600 174.840 0.760 2
2 477 . 1 1 A 60 60 GLU CA C 60 54.400 55.701 -1.301 2
2 478 . 1 1 A 60 60 GLU CB C 60 33.300 33.604 -0.304 2
2 479 . 1 1 A 60 60 GLU N N 60 118.900 120.721 -1.821 2
2 480 . 1 1 A 61 61 ARG H H 61 9.070 8.675 0.395 2
2 481 . 1 1 A 61 61 ARG HA H 61 4.540 4.519 0.021 2
2 485 . 1 1 A 61 61 ARG C C 61 175.900 176.204 -0.304 2
2 486 . 1 1 A 61 61 ARG CA C 61 56.500 56.623 -0.123 2
2 487 . 1 1 A 61 61 ARG CB C 61 31.200 30.564 0.636 2
2 488 . 1 1 A 61 61 ARG N N 61 125.400 123.995 1.406 2
2 490 . 1 1 A 62 62 LYS H H 62 8.540 8.811 -0.271 2
2 491 . 1 1 A 62 62 LYS HA H 62 4.370 4.189 0.181 2
2 494 . 1 1 A 62 62 LYS C C 62 176.000 176.593 -0.593 2
2 495 . 1 1 A 62 62 LYS CA C 62 55.900 57.418 -1.518 2
2 496 . 1 1 A 62 62 LYS CB C 62 33.200 33.245 -0.045 2
2 497 . 1 1 A 62 62 LYS N N 62 124.400 123.303 1.096 2
2 498 . 1 1 A 63 63 ASN H H 63 8.650 8.584 0.066 2
2 499 . 1 1 A 63 63 ASN HA H 63 4.740 4.860 -0.120 2
2 504 . 1 1 A 63 63 ASN C C 63 175.300 175.216 0.084 2
2 505 . 1 1 A 63 63 ASN CA C 63 53.300 53.083 0.217 2
2 506 . 1 1 A 63 63 ASN CB C 63 39.000 38.797 0.203 2
2 507 . 1 1 A 63 63 ASN N N 63 121.200 120.507 0.693 2
2 509 . 1 1 A 64 64 SER H H 64 8.370 7.884 0.486 2
2 510 . 1 1 A 64 64 SER HA H 64 4.420 4.427 -0.007 2
2 513 . 1 1 A 64 64 SER C C 64 174.300 174.179 0.121 2
2 514 . 1 1 A 64 64 SER CA C 64 58.400 59.183 -0.783 2
2 515 . 1 1 A 64 64 SER CB C 64 63.900 63.083 0.817 2
2 516 . 1 1 A 64 64 SER N N 64 116.900 115.471 1.429 2
2 517 . 1 1 A 65 65 ALA H H 65 8.370 8.243 0.127 2
2 518 . 1 1 A 65 65 ALA HA H 65 4.330 4.531 -0.201 2
2 522 . 1 1 A 65 65 ALA C C 65 177.800 176.814 0.986 2
2 523 . 1 1 A 65 65 ALA CA C 65 52.700 51.336 1.364 2
2 524 . 1 1 A 65 65 ALA CB C 65 19.300 19.482 -0.182 2
2 525 . 1 1 A 65 65 ALA N N 65 126.000 125.963 0.037 2
2 526 . 1 1 A 66 66 ARG H H 66 8.230 8.369 -0.139 2
2 527 . 1 1 A 66 66 ARG HA H 66 4.300 4.338 -0.038 2
2 531 . 1 1 A 66 66 ARG C C 66 176.100 176.804 -0.704 2
2 532 . 1 1 A 66 66 ARG CA C 66 56.000 56.077 -0.077 2
2 533 . 1 1 A 66 66 ARG CB C 66 30.800 30.672 0.128 2
2 534 . 1 1 A 66 66 ARG N N 66 120.400 121.040 -0.640 2
2 536 . 1 1 A 67 67 ALA H H 67 8.290 8.695 -0.405 2
2 537 . 1 1 A 67 67 ALA HA H 67 4.290 4.069 0.221 2
2 541 . 1 1 A 67 67 ALA C C 67 177.600 178.904 -1.304 2
2 542 . 1 1 A 67 67 ALA CA C 67 52.500 54.891 -2.391 2
2 543 . 1 1 A 67 67 ALA CB C 67 19.200 18.489 0.711 2
2 544 . 1 1 A 67 67 ALA N N 67 125.700 125.543 0.157 2
2 545 . 1 1 A 68 68 ALA H H 68 8.270 7.944 0.326 2
2 546 . 1 1 A 68 68 ALA HA H 68 4.290 4.248 0.042 2
2 550 . 1 1 A 68 68 ALA C C 68 178.600 178.234 0.366 2
2 551 . 1 1 A 68 68 ALA CA C 68 52.400 53.588 -1.188 2
2 552 . 1 1 A 68 68 ALA CB C 68 19.200 18.707 0.493 2
2 553 . 1 1 A 68 68 ALA N N 68 123.100 119.276 3.824 2
2 554 . 1 1 A 69 69 ALA H H 69 8.260 7.573 0.687 2
2 555 . 1 1 A 69 69 ALA HA H 69 4.300 4.233 0.067 2
2 559 . 1 1 A 69 69 ALA C C 69 177.600 177.376 0.224 2
2 560 . 1 1 A 69 69 ALA CA C 69 52.500 52.703 -0.203 2
2 561 . 1 1 A 69 69 ALA CB C 69 19.200 18.985 0.215 2
2 562 . 1 1 A 69 69 ALA N N 69 123.500 120.766 2.734 2
2 563 . 1 1 A 70 70 ASN H H 70 8.390 8.613 -0.223 2
2 564 . 1 1 A 70 70 ASN HA H 70 4.750 4.944 -0.194 2
2 567 . 1 1 A 70 70 ASN C C 70 175.200 174.796 0.404 2
2 568 . 1 1 A 70 70 ASN CA C 70 53.300 53.112 0.188 2
2 569 . 1 1 A 70 70 ASN CB C 70 39.000 39.962 -0.962 2
2 570 . 1 1 A 70 70 ASN N N 70 117.500 119.925 -2.425 2
2 571 . 1 1 A 71 71 SER H H 71 8.240 8.554 -0.314 2
2 572 . 1 1 A 71 71 SER HA H 71 4.520 4.528 -0.008 2
2 575 . 1 1 A 71 71 SER C C 71 173.700 173.943 -0.243 2
2 576 . 1 1 A 71 71 SER CA C 71 58.400 58.430 -0.030 2
2 577 . 1 1 A 71 71 SER CB C 71 64.200 63.257 0.943 2
2 578 . 1 1 A 71 71 SER N N 71 116.200 117.207 -1.007 2
3 4 . 1 1 A 2 2 SER HA H 2 4.610 4.683 -0.073 2
3 7 . 1 1 A 2 2 SER CA C 2 58.200 58.278 -0.078 2
3 8 . 1 1 A 2 2 SER CB C 2 63.900 63.815 0.085 2
3 9 . 1 1 A 3 3 THR HA H 3 4.380 4.319 0.061 2
3 14 . 1 1 A 3 3 THR CA C 3 61.900 63.509 -1.609 2
3 15 . 1 1 A 3 3 THR CB C 3 69.700 69.109 0.591 2
3 17 . 1 1 A 4 4 MET HA H 4 4.460 4.627 -0.167 2
3 25 . 1 1 A 4 4 MET CA C 4 55.400 55.994 -0.594 2
3 26 . 1 1 A 4 4 MET CB C 4 32.900 34.480 -1.580 2
3 29 . 1 1 A 5 5 ALA HA H 5 4.300 4.279 0.021 2
3 33 . 1 1 A 5 5 ALA CA C 5 52.600 52.787 -0.187 2
3 34 . 1 1 A 5 5 ALA CB C 5 19.300 19.235 0.065 2
3 35 . 1 1 A 6 6 GLU HA H 6 4.300 4.368 -0.068 2
3 40 . 1 1 A 6 6 GLU CA C 6 56.100 56.540 -0.440 2
3 41 . 1 1 A 6 6 GLU CB C 6 30.700 29.785 0.915 2
3 43 . 1 1 A 7 7 GLU HA H 7 4.440 4.861 -0.421 2
3 48 . 1 1 A 7 7 GLU CA C 7 56.400 55.357 1.043 2
3 49 . 1 1 A 7 7 GLU CB C 7 30.700 32.554 -1.854 2
3 51 . 1 1 A 8 8 VAL HA H 8 4.210 4.831 -0.621 2
3 59 . 1 1 A 8 8 VAL CA C 8 62.200 60.991 1.209 2
3 60 . 1 1 A 8 8 VAL CB C 8 33.300 35.079 -1.779 2
3 63 . 1 1 A 9 9 VAL HA H 9 4.430 4.994 -0.564 2
3 71 . 1 1 A 9 9 VAL CA C 9 61.600 59.347 2.253 2
3 72 . 1 1 A 9 9 VAL CB C 9 32.900 34.747 -1.847 2
3 75 . 1 1 A 10 10 VAL HA H 10 4.990 5.335 -0.345 2
3 83 . 1 1 A 10 10 VAL CA C 10 58.200 59.280 -1.080 2
3 84 . 1 1 A 10 10 VAL CB C 10 35.100 35.397 -0.297 2
3 87 . 1 1 A 11 11 VAL HA H 11 5.010 4.838 0.172 2
3 95 . 1 1 A 11 11 VAL CA C 11 59.500 59.707 -0.207 2
3 96 . 1 1 A 11 11 VAL CB C 11 35.100 34.213 0.887 2
3 99 . 1 1 A 12 12 ALA HA H 12 4.570 4.743 -0.173 2
3 103 . 1 1 A 12 12 ALA CA C 12 52.700 51.996 0.704 2
3 104 . 1 1 A 12 12 ALA CB C 12 19.900 19.474 0.426 2
3 105 . 1 1 A 13 13 LYS HA H 13 3.850 4.239 -0.390 2
3 114 . 1 1 A 13 13 LYS CA C 13 57.200 56.699 0.501 2
3 115 . 1 1 A 13 13 LYS CB C 13 33.800 33.294 0.505 2
3 119 . 1 1 A 14 14 PHE HA H 14 4.820 5.102 -0.282 2
3 122 . 1 1 A 14 14 PHE CA C 14 53.600 56.689 -3.089 2
3 123 . 1 1 A 14 14 PHE CB C 14 43.600 43.605 -0.005 2
3 124 . 1 1 A 15 15 ASP HA H 15 4.810 5.654 -0.844 2
3 127 . 1 1 A 15 15 ASP CA C 15 54.500 52.932 1.568 2
3 128 . 1 1 A 15 15 ASP CB C 15 41.700 43.265 -1.565 2
3 129 . 1 1 A 16 16 TYR HA H 16 4.770 5.221 -0.451 2
3 132 . 1 1 A 16 16 TYR CA C 16 59.300 56.945 2.355 2
3 133 . 1 1 A 16 16 TYR CB C 16 41.600 42.196 -0.596 2
3 134 . 1 1 A 17 17 VAL HA H 17 4.160 4.231 -0.071 2
3 142 . 1 1 A 17 17 VAL CA C 17 60.500 60.777 -0.277 2
3 143 . 1 1 A 17 17 VAL CB C 17 32.200 32.955 -0.755 2
3 146 . 1 1 A 18 18 ALA HA H 18 4.240 4.576 -0.336 2
3 150 . 1 1 A 18 18 ALA CA C 18 53.200 51.898 1.302 2
3 151 . 1 1 A 18 18 ALA CB C 18 19.900 18.696 1.204 2
3 152 . 1 1 A 19 19 GLN HA H 19 4.310 3.942 0.368 2
3 157 . 1 1 A 19 19 GLN CA C 19 55.100 59.812 -4.712 2
3 158 . 1 1 A 19 19 GLN CB C 19 31.100 28.853 2.247 2
3 160 . 1 1 A 20 20 GLN HA H 20 4.590 4.364 0.226 2
3 165 . 1 1 A 20 20 GLN CA C 20 53.900 55.455 -1.555 2
3 166 . 1 1 A 20 20 GLN CB C 20 32.400 29.809 2.591 2
3 168 . 1 1 A 21 21 GLU HA H 21 4.100 4.077 0.023 2
3 173 . 1 1 A 21 21 GLU CA C 21 59.500 58.736 0.764 2
3 174 . 1 1 A 21 21 GLU CB C 21 29.700 29.143 0.557 2
3 176 . 1 1 A 22 22 GLN HA H 22 4.550 4.090 0.460 2
3 181 . 1 1 A 22 22 GLN CA C 22 56.600 58.723 -2.123 2
3 182 . 1 1 A 22 22 GLN CB C 22 28.000 28.679 -0.679 2
3 184 . 1 1 A 23 23 GLU HA H 23 5.340 4.599 0.741 2
3 189 . 1 1 A 23 23 GLU CA C 23 55.500 56.906 -1.406 2
3 190 . 1 1 A 23 23 GLU CB C 23 32.400 30.850 1.550 2
3 192 . 1 1 A 24 24 LEU HA H 24 4.690 5.190 -0.500 2
3 202 . 1 1 A 24 24 LEU CA C 24 53.100 53.599 -0.499 2
3 203 . 1 1 A 24 24 LEU CB C 24 46.500 45.238 1.262 2
3 207 . 1 1 A 25 25 ASP HA H 25 5.170 5.029 0.141 2
3 210 . 1 1 A 25 25 ASP CA C 25 54.100 53.808 0.292 2
3 211 . 1 1 A 25 25 ASP CB C 25 42.300 41.546 0.754 2
3 212 . 1 1 A 26 26 ILE HA H 26 5.130 5.264 -0.134 2
3 222 . 1 1 A 26 26 ILE CA C 26 59.600 58.869 0.731 2
3 223 . 1 1 A 26 26 ILE CB C 26 42.400 42.156 0.244 2
3 227 . 1 1 A 27 27 LYS HA H 27 5.100 4.817 0.283 2
3 236 . 1 1 A 27 27 LYS CA C 27 52.800 55.125 -2.325 2
3 237 . 1 1 A 27 27 LYS CB C 27 35.400 36.570 -1.170 2
3 241 . 1 1 A 28 28 LYS HA H 28 3.120 3.969 -0.849 2
3 250 . 1 1 A 28 28 LYS CA C 28 59.100 58.250 0.850 2
3 251 . 1 1 A 28 28 LYS CB C 28 32.500 32.168 0.332 2
3 255 . 1 1 A 29 29 ASN HA H 29 4.180 4.228 -0.048 2
3 258 . 1 1 A 29 29 ASN CA C 29 55.800 54.446 1.354 2
3 259 . 1 1 A 29 29 ASN CB C 29 37.300 37.192 0.108 2
3 260 . 1 1 A 30 30 GLU HA H 30 4.170 4.818 -0.648 2
3 265 . 1 1 A 30 30 GLU CA C 30 57.600 55.053 2.547 2
3 266 . 1 1 A 30 30 GLU CB C 30 31.700 32.177 -0.477 2
3 268 . 1 1 A 31 31 ARG HA H 31 4.580 4.535 0.045 2
3 275 . 1 1 A 31 31 ARG CA C 31 56.200 56.053 0.147 2
3 276 . 1 1 A 31 31 ARG CB C 31 30.800 30.758 0.042 2
3 279 . 1 1 A 32 32 LEU HA H 32 4.860 4.614 0.247 2
3 289 . 1 1 A 32 32 LEU CA C 32 53.200 53.085 0.115 2
3 290 . 1 1 A 32 32 LEU CB C 32 46.300 45.297 1.003 2
3 294 . 1 1 A 33 33 TRP HA H 33 5.100 5.260 -0.160 2
3 297 . 1 1 A 33 33 TRP CA C 33 58.300 56.145 2.155 2
3 298 . 1 1 A 33 33 TRP CB C 33 31.000 30.670 0.330 2
3 299 . 1 1 A 34 34 LEU HA H 34 4.340 4.434 -0.094 2
3 309 . 1 1 A 34 34 LEU CA C 34 55.500 55.581 -0.081 2
3 310 . 1 1 A 34 34 LEU CB C 34 43.700 42.541 1.159 2
3 314 . 1 1 A 35 35 LEU HA H 35 4.620 4.402 0.218 2
3 324 . 1 1 A 35 35 LEU CA C 35 55.400 56.003 -0.603 2
3 325 . 1 1 A 35 35 LEU CB C 35 42.700 42.866 -0.166 2
3 329 . 1 1 A 36 36 ASP HA H 36 4.760 4.935 -0.175 2
3 332 . 1 1 A 36 36 ASP CA C 36 55.300 53.274 2.026 2
3 333 . 1 1 A 36 36 ASP CB C 36 43.400 42.731 0.669 2
3 334 . 1 1 A 37 37 ASP HA H 37 3.940 4.588 -0.648 2
3 337 . 1 1 A 37 37 ASP CA C 37 51.900 52.427 -0.527 2
3 338 . 1 1 A 37 37 ASP CB C 37 40.000 39.550 0.450 2
3 339 . 1 1 A 38 38 SER HA H 38 4.210 4.585 -0.375 2
3 342 . 1 1 A 38 38 SER CA C 38 61.400 60.268 1.132 2
3 343 . 1 1 A 38 38 SER CB C 38 63.900 64.388 -0.488 2
3 344 . 1 1 A 39 39 LYS HA H 39 4.910 4.460 0.450 2
3 353 . 1 1 A 39 39 LYS CA C 39 55.000 56.063 -1.063 2
3 354 . 1 1 A 39 39 LYS CB C 39 34.200 33.380 0.820 2
3 358 . 1 1 A 40 40 SER HA H 40 4.310 4.196 0.114 2
3 361 . 1 1 A 40 40 SER CA C 40 60.700 62.185 -1.485 2
3 362 . 1 1 A 40 40 SER CB C 40 63.100 63.235 -0.135 2
3 363 . 1 1 A 41 41 TRP HA H 41 4.860 4.896 -0.037 2
3 366 . 1 1 A 41 41 TRP CA C 41 56.600 56.687 -0.087 2
3 367 . 1 1 A 41 41 TRP CB C 41 29.500 29.896 -0.396 2
3 368 . 1 1 A 42 42 TRP HA H 42 5.450 5.117 0.333 2
3 371 . 1 1 A 42 42 TRP CA C 42 54.200 57.496 -3.296 2
3 372 . 1 1 A 42 42 TRP CB C 42 30.900 29.456 1.444 2
3 373 . 1 1 A 43 43 ARG HA H 43 4.550 4.560 -0.010 2
3 380 . 1 1 A 43 43 ARG CA C 43 55.400 56.066 -0.666 2
3 381 . 1 1 A 43 43 ARG CB C 43 32.200 30.248 1.952 2
3 384 . 1 1 A 44 44 VAL HA H 44 5.520 5.189 0.331 2
3 392 . 1 1 A 44 44 VAL CA C 44 58.800 58.753 0.047 2
3 393 . 1 1 A 44 44 VAL CB C 44 36.500 36.068 0.432 2
3 396 . 1 1 A 45 45 ARG HA H 45 5.530 5.323 0.207 2
3 403 . 1 1 A 45 45 ARG CA C 45 53.600 53.903 -0.302 2
3 404 . 1 1 A 45 45 ARG CB C 45 35.400 33.984 1.416 2
3 407 . 1 1 A 46 46 ASN HA H 46 5.490 5.380 0.110 2
3 410 . 1 1 A 46 46 ASN CA C 46 50.600 51.456 -0.856 2
3 411 . 1 1 A 46 46 ASN CB C 46 40.900 41.532 -0.632 2
3 412 . 1 1 A 47 47 SER HA H 47 4.320 4.456 -0.136 2
3 415 . 1 1 A 47 47 SER CA C 47 61.500 61.668 -0.168 2
3 416 . 1 1 A 47 47 SER CB C 47 63.000 62.901 0.099 2
3 417 . 1 1 A 48 48 MET HA H 48 4.730 4.583 0.147 2
3 425 . 1 1 A 48 48 MET CA C 48 54.400 55.795 -1.395 2
3 426 . 1 1 A 48 48 MET CB C 48 31.700 33.281 -1.581 2
3 429 . 1 1 A 49 49 ASN HA H 49 4.200 4.470 -0.270 2
3 432 . 1 1 A 49 49 ASN CA C 49 54.800 54.360 0.440 2
3 433 . 1 1 A 49 49 ASN CB C 49 37.000 36.538 0.462 2
3 434 . 1 1 A 50 50 LYS HA H 50 4.560 4.329 0.231 2
3 443 . 1 1 A 50 50 LYS CA C 50 55.600 56.529 -0.929 2
3 444 . 1 1 A 50 50 LYS CB C 50 33.300 33.609 -0.309 2
3 448 . 1 1 A 51 51 THR HA H 51 5.740 5.248 0.492 2
3 453 . 1 1 A 51 51 THR CA C 51 59.200 60.206 -1.006 2
3 454 . 1 1 A 51 51 THR CB C 51 71.700 72.139 -0.439 2
3 456 . 1 1 A 52 52 GLY HA2 H 52 4.090 4.258 -0.169 2
3 457 . 1 1 A 52 52 GLY HA3 H 52 3.920 4.315 -0.395 2
3 458 . 1 1 A 52 52 GLY CA C 52 45.600 45.202 0.399 2
3 459 . 1 1 A 53 53 PHE HA H 53 5.870 5.169 0.701 2
3 462 . 1 1 A 53 53 PHE CA C 53 57.900 58.025 -0.125 2
3 463 . 1 1 A 53 53 PHE CB C 53 42.800 40.744 2.056 2
3 464 . 1 1 A 54 54 VAL HA H 54 4.790 5.129 -0.339 2
3 472 . 1 1 A 54 54 VAL CA C 54 57.500 58.380 -0.880 2
3 473 . 1 1 A 54 54 VAL CB C 54 33.300 34.798 -1.498 2
3 476 . 1 1 A 55 55 PRO HA H 55 3.230 4.342 -1.112 2
3 483 . 1 1 A 55 55 PRO CA C 55 62.300 62.356 -0.056 2
3 484 . 1 1 A 55 55 PRO CB C 55 30.400 32.405 -2.005 2
3 487 . 1 1 A 57 57 ASN HA H 57 4.480 4.556 -0.076 2
3 490 . 1 1 A 57 57 ASN CA C 57 53.700 54.599 -0.899 2
3 491 . 1 1 A 57 57 ASN CB C 57 36.600 38.820 -2.220 2
3 492 . 1 1 A 58 58 TYR HA H 58 4.460 4.698 -0.238 2
3 495 . 1 1 A 58 58 TYR CA C 58 59.000 58.804 0.196 2
3 496 . 1 1 A 58 58 TYR CB C 58 38.100 40.055 -1.955 2
3 497 . 1 1 A 59 59 VAL HA H 59 5.090 4.980 0.110 2
3 505 . 1 1 A 59 59 VAL CA C 59 58.600 59.587 -0.987 2
3 506 . 1 1 A 59 59 VAL CB C 59 35.500 34.990 0.510 2
3 509 . 1 1 A 60 60 GLU HA H 60 4.790 4.777 0.013 2
3 514 . 1 1 A 60 60 GLU CA C 60 54.300 55.701 -1.401 2
3 515 . 1 1 A 60 60 GLU CB C 60 33.300 33.604 -0.304 2
3 517 . 1 1 A 61 61 ARG HA H 61 4.540 4.519 0.021 2
3 524 . 1 1 A 61 61 ARG CA C 61 56.500 56.623 -0.123 2
3 525 . 1 1 A 61 61 ARG CB C 61 31.200 30.564 0.636 2
3 528 . 1 1 A 62 62 LYS HA H 62 4.380 4.189 0.191 2
3 537 . 1 1 A 62 62 LYS CA C 62 55.900 57.418 -1.518 2
3 538 . 1 1 A 62 62 LYS CB C 62 33.200 33.245 -0.045 2
3 542 . 1 1 A 63 63 ASN HA H 63 4.740 4.860 -0.120 2
3 545 . 1 1 A 63 63 ASN CA C 63 53.200 53.083 0.117 2
3 546 . 1 1 A 63 63 ASN CB C 63 39.000 38.797 0.203 2
3 547 . 1 1 A 64 64 SER HA H 64 4.430 4.427 0.003 2
3 550 . 1 1 A 64 64 SER CA C 64 58.400 59.183 -0.783 2
3 551 . 1 1 A 64 64 SER CB C 64 63.900 63.083 0.817 2
3 552 . 1 1 A 65 65 ALA HA H 65 4.330 4.531 -0.201 2
3 556 . 1 1 A 65 65 ALA CA C 65 52.700 51.336 1.364 2
3 557 . 1 1 A 65 65 ALA CB C 65 19.300 19.482 -0.182 2
3 558 . 1 1 A 66 66 ARG HA H 66 4.300 4.338 -0.038 2
3 565 . 1 1 A 66 66 ARG CA C 66 56.000 56.077 -0.077 2
3 566 . 1 1 A 66 66 ARG CB C 66 30.900 30.672 0.228 2
3 569 . 1 1 A 67 67 ALA HA H 67 4.300 4.069 0.231 2
3 573 . 1 1 A 67 67 ALA CA C 67 52.400 54.891 -2.491 2
3 574 . 1 1 A 67 67 ALA CB C 67 19.200 18.489 0.711 2
3 575 . 1 1 A 69 69 ALA HA H 69 4.300 4.233 0.067 2
3 579 . 1 1 A 69 69 ALA CA C 69 52.400 52.703 -0.303 2
3 580 . 1 1 A 70 70 ASN HA H 70 4.750 4.944 -0.194 2
3 583 . 1 1 A 70 70 ASN CA C 70 53.300 53.112 0.188 2
3 584 . 1 1 A 70 70 ASN CB C 70 39.000 39.962 -0.962 2
3 585 . 1 1 A 71 71 SER HA H 71 4.520 4.528 -0.008 2
3 588 . 1 1 A 71 71 SER CA C 71 58.300 58.430 -0.130 2
3 589 . 1 1 A 71 71 SER CB C 71 64.000 63.257 0.743 2
stop_
save_